smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([C@@]23C[N@@H+](CCCO)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257193824 794041507 /nfs/dbraw/zinc/04/15/07/794041507.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 1 1 356.470 1.836 50 0 FDAAMO Cc1noc([C@@]23CN(CCCO)C[C@@H]2CC[N@H+](Cc2ccccc2)C3)n1 ZINC000257193824 794041515 /nfs/dbraw/zinc/04/15/15/794041515.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 1 1 356.470 1.836 50 0 FDAAMO Cc1noc([C@@]23CN(CCCO)C[C@@H]2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC000257193824 794041520 /nfs/dbraw/zinc/04/15/20/794041520.db2.gz ZVJHPACWAUKMMU-AZUAARDMSA-N 1 1 356.470 1.836 50 0 FDAAMO Cc1nccc(N2CC[NH+](C[C@@H](O)COCc3ccccc3F)CC2)n1 ZINC000183769573 794362112 /nfs/dbraw/zinc/36/21/12/794362112.db2.gz WAQPLYCWGMIXTK-QGZVFWFLSA-N 1 1 360.433 1.624 50 0 FDAAMO C[N@@H+]1CC2(C[C@@H]1C(=O)Nc1ccccc1)CCN(S(C)(=O)=O)CC2 ZINC000675011446 795221151 /nfs/dbraw/zinc/22/11/51/795221151.db2.gz UBKNBSZSHMRPMM-OAHLLOKOSA-N 1 1 351.472 1.371 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)Nc1ccccc1)CCN(S(C)(=O)=O)CC2 ZINC000675011446 795221155 /nfs/dbraw/zinc/22/11/55/795221155.db2.gz UBKNBSZSHMRPMM-OAHLLOKOSA-N 1 1 351.472 1.371 50 0 FDAAMO CN(Cc1nnc(-c2ccccc2)o1)c1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC000106243094 807211679 /nfs/dbraw/zinc/21/16/79/807211679.db2.gz ZNIKJQGLONCLAX-CQSZACIVSA-N 1 1 352.398 1.734 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000670444296 882065426 /nfs/dbraw/zinc/06/54/26/882065426.db2.gz KRGCLKGNNAYWNS-LBPRGKRZSA-N 1 1 366.405 1.831 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000670444296 882065442 /nfs/dbraw/zinc/06/54/42/882065442.db2.gz KRGCLKGNNAYWNS-LBPRGKRZSA-N 1 1 366.405 1.831 50 0 FDAAMO NC(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012467607 882350761 /nfs/dbraw/zinc/35/07/61/882350761.db2.gz HOQOOVKPLLPYPL-GOSISDBHSA-N 1 1 366.412 1.448 50 0 FDAAMO NC(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012467607 882350781 /nfs/dbraw/zinc/35/07/81/882350781.db2.gz HOQOOVKPLLPYPL-GOSISDBHSA-N 1 1 366.412 1.448 50 0 FDAAMO c1nc2c(ncnc2N2CCOC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)[nH]1 ZINC000820430482 918893661 /nfs/dbraw/zinc/89/36/61/918893661.db2.gz IPPNXAGENYJMHY-CQSZACIVSA-N 1 1 358.446 1.061 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)N(Cc2cccnc2)Cc2cccnc2)C1 ZINC000823801139 922100151 /nfs/dbraw/zinc/10/01/51/922100151.db2.gz KRZFPHLRHGEIHW-LJQANCHMSA-N 1 1 369.469 1.767 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 ZINC000824412435 922985897 /nfs/dbraw/zinc/98/58/97/922985897.db2.gz RDTPWEOMWHCXOW-ZDUSSCGKSA-N 1 1 369.512 1.851 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@H+](C3CCC3)CC2)cc1C(N)=O ZINC000824704460 923163931 /nfs/dbraw/zinc/16/39/31/923163931.db2.gz TXCNDWNQMRTHCV-UHFFFAOYSA-N 1 1 367.471 1.043 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)C[C@H](C)O1 ZINC000828244542 924857180 /nfs/dbraw/zinc/85/71/80/924857180.db2.gz LNUFXNQHSZMBIN-HLLBOEOZSA-N 1 1 364.486 1.963 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)N1CCN(c2nccnc2C#N)CC1)[NH+](C)C ZINC000065365973 926513570 /nfs/dbraw/zinc/51/35/70/926513570.db2.gz IJGQOLZCVQEVIL-GOSISDBHSA-N 1 1 364.453 1.608 50 0 FDAAMO COc1ccc(Cn2cc(C3=CC[N@H+](CCNC(N)=O)CC3)cn2)cc1 ZINC000065407874 927092125 /nfs/dbraw/zinc/09/21/25/927092125.db2.gz YAEUJFCDQJDBCV-UHFFFAOYSA-N 1 1 355.442 1.697 50 0 FDAAMO COc1ccc(Cn2cc(C3=CC[N@@H+](CCNC(N)=O)CC3)cn2)cc1 ZINC000065407874 927092139 /nfs/dbraw/zinc/09/21/39/927092139.db2.gz YAEUJFCDQJDBCV-UHFFFAOYSA-N 1 1 355.442 1.697 50 0 FDAAMO Cc1cccc(N2CCN(c3nc(N4CC[C@@H](O)C4)cc[nH+]3)CC2)c1C ZINC000065460865 927969628 /nfs/dbraw/zinc/96/96/28/927969628.db2.gz VUNOYFWJQHTNOY-QGZVFWFLSA-N 1 1 353.470 1.991 50 0 FDAAMO C[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC(=O)NC3(C)C)cc2F)CC1 ZINC000585080446 943765367 /nfs/dbraw/zinc/76/53/67/943765367.db2.gz TVHLQYBQIYRRAE-MRXNPFEDSA-N 1 1 362.449 1.365 50 0 FDAAMO CC[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@@H](C)C1 ZINC000585082383 943814716 /nfs/dbraw/zinc/81/47/16/943814716.db2.gz LIELPMKZAHPVTB-AWEZNQCLSA-N 1 1 365.499 1.541 50 0 FDAAMO CC[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@@H](C)C1 ZINC000585082383 943814722 /nfs/dbraw/zinc/81/47/22/943814722.db2.gz LIELPMKZAHPVTB-AWEZNQCLSA-N 1 1 365.499 1.541 50 0 FDAAMO O=c1ccc(-n2cccn2)nn1CC1CC[NH+](CCN2CCCCC2)CC1 ZINC000585502415 952919036 /nfs/dbraw/zinc/91/90/36/952919036.db2.gz SYAHRBBAISUVFR-UHFFFAOYSA-N 1 1 370.501 1.627 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CN(C)C(=O)CCN2CCCCCC2=O)C1 ZINC000952965394 960249945 /nfs/dbraw/zinc/24/99/45/960249945.db2.gz HALLLVMTZXVJJK-KRWDZBQOSA-N 1 1 353.507 1.596 50 0 FDAAMO Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952975692 960272827 /nfs/dbraw/zinc/27/28/27/960272827.db2.gz JXQKZJQCPLQVSX-YOEHRIQHSA-N 1 1 369.469 1.434 50 0 FDAAMO COc1ccc2c(c1)C=C(CN1CC[N@@H+](C)[C@]3(C1)CCNC(=O)CC3)CO2 ZINC000095382544 1013838734 /nfs/dbraw/zinc/83/87/34/1013838734.db2.gz IIHUFHAQWKQRIO-NRFANRHFSA-N 1 1 371.481 1.757 50 0 FDAAMO C[C@@H](SC1=NN/C(=C2/C=c3ccccc3=[NH+]2)N1c1ccccc1)C(N)=O ZINC000105521448 998944364 /nfs/dbraw/zinc/94/43/64/998944364.db2.gz VZLDQDSZUGSXCK-XCHVRBFASA-N 1 1 363.446 1.257 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2cccc(F)c2)CC1 ZINC000299755044 203751480 /nfs/dbraw/zinc/75/14/80/203751480.db2.gz AMBVRKNNZHXMFS-UHFFFAOYSA-N 1 1 374.420 1.142 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687804 204155425 /nfs/dbraw/zinc/15/54/25/204155425.db2.gz GNRAWKAFQIPKTA-CVEARBPZSA-N 1 1 359.536 1.429 50 0 FDAAMO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035485110 204287066 /nfs/dbraw/zinc/28/70/66/204287066.db2.gz HWZNOCCEAGAHOW-WBMJQRKESA-N 1 1 367.405 1.573 50 0 biogenic FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841303 204276081 /nfs/dbraw/zinc/27/60/81/204276081.db2.gz WWEPDCVNBOEKAD-GFCCVEGCSA-N 1 1 360.483 1.927 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)COc2ccccc2)ncn1 ZINC000036705839 204383341 /nfs/dbraw/zinc/38/33/41/204383341.db2.gz PCGVBCFSXZLKHB-UHFFFAOYSA-N 1 1 352.398 1.578 50 0 FDAAMO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@H](O)COC(C)C ZINC000036104367 205004707 /nfs/dbraw/zinc/00/47/07/205004707.db2.gz SUMHXMMZPUEKDB-FQEVSTJZSA-N 1 1 350.503 1.915 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H](C)NC(=O)c2ccoc2)ccn1 ZINC000048314782 205158531 /nfs/dbraw/zinc/15/85/31/205158531.db2.gz JPDUPAIVHRMVOH-GFCCVEGCSA-N 1 1 353.382 1.603 50 0 FDAAMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000058100019 205248923 /nfs/dbraw/zinc/24/89/23/205248923.db2.gz BSZOQVAIRDVUKC-HGTKMLMNSA-N 1 1 356.488 1.932 50 0 FDAAMO CCOC(=O)C1=C(C[NH2+]CCOc2ccccc2OC)NC(=O)N[C@H]1C ZINC000058121304 205251497 /nfs/dbraw/zinc/25/14/97/205251497.db2.gz OVWRKVLIFXMJMP-LBPRGKRZSA-N 1 1 363.414 1.182 50 0 FDAAMO Cc1ccc2nc(C[N@@H+]3CCCC[C@@H]3C(=O)N3CCCC3)cc(=O)n2c1 ZINC000058279489 205268654 /nfs/dbraw/zinc/26/86/54/205268654.db2.gz WHTFXYLDHAXEOF-QGZVFWFLSA-N 1 1 354.454 1.980 50 0 FDAAMO Cc1ccc2nc(C[N@H+]3CCCC[C@@H]3C(=O)N3CCCC3)cc(=O)n2c1 ZINC000058279489 205268657 /nfs/dbraw/zinc/26/86/57/205268657.db2.gz WHTFXYLDHAXEOF-QGZVFWFLSA-N 1 1 354.454 1.980 50 0 FDAAMO CN(CC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)c1cnccn1 ZINC000058314409 205270255 /nfs/dbraw/zinc/27/02/55/205270255.db2.gz ISKMWDOIBLCEQE-UHFFFAOYSA-N 1 1 357.433 1.786 50 0 FDAAMO CN(CC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)c1cnccn1 ZINC000058314409 205270258 /nfs/dbraw/zinc/27/02/58/205270258.db2.gz ISKMWDOIBLCEQE-UHFFFAOYSA-N 1 1 357.433 1.786 50 0 FDAAMO COc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000061721208 205288209 /nfs/dbraw/zinc/28/82/09/205288209.db2.gz GJUNVTIHRHHSHZ-INIZCTEOSA-N 1 1 358.442 1.437 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000065272856 205332752 /nfs/dbraw/zinc/33/27/52/205332752.db2.gz LCWGCDYZZUOILW-CQSZACIVSA-N 1 1 361.511 1.863 50 0 FDAAMO NC(=O)c1ccnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000065458935 205351335 /nfs/dbraw/zinc/35/13/35/205351335.db2.gz DJXMAJKGISXVRQ-UHFFFAOYSA-N 1 1 354.410 1.274 50 0 FDAAMO Cc1ccc([C@@H](C(=O)N2CCC(O)(Cn3ccnc3)CC2)[NH+](C)C)cc1 ZINC000065532696 205358535 /nfs/dbraw/zinc/35/85/35/205358535.db2.gz WCOSSCITFUTKIT-SFHVURJKSA-N 1 1 356.470 1.848 50 0 FDAAMO O[C@H]1CCCN(c2cc[nH+]c(NCc3ccccc3-n3cncn3)n2)C1 ZINC000065528323 205358605 /nfs/dbraw/zinc/35/86/05/205358605.db2.gz NFCVVPOMQWXKPU-HNNXBMFYSA-N 1 1 351.414 1.631 50 0 FDAAMO O=C(N[C@H](CCn1ccnc1)c1ccccc1)c1cc2n(n1)CC[NH2+]C2 ZINC000065380227 205341373 /nfs/dbraw/zinc/34/13/73/205341373.db2.gz CZYWTHQGWLJOEU-QGZVFWFLSA-N 1 1 350.426 1.744 50 0 FDAAMO Cn1ccnc1[C@@H](O)C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000065409350 205348821 /nfs/dbraw/zinc/34/88/21/205348821.db2.gz KJGDBMKJDZONKT-SFHVURJKSA-N 1 1 360.433 1.621 50 0 FDAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000067514223 205374859 /nfs/dbraw/zinc/37/48/59/205374859.db2.gz LCSQZGUBHSINHV-UHFFFAOYSA-N 1 1 353.488 1.446 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@H+]3CCC[C@@H](CO)C3)cc2c(OC)c1OC ZINC000067727103 205387722 /nfs/dbraw/zinc/38/77/22/205387722.db2.gz UYKKJSYQBFPTRM-GFCCVEGCSA-N 1 1 362.426 1.758 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067773929 205390218 /nfs/dbraw/zinc/39/02/18/205390218.db2.gz AOSPSIBYZRVTSQ-HNNXBMFYSA-N 1 1 364.490 1.482 50 0 FDAAMO Cc1c[nH+]c(N2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)nc1N ZINC000067842249 205395827 /nfs/dbraw/zinc/39/58/27/205395827.db2.gz GGPKNBZJDKVGMX-UHFFFAOYSA-N 1 1 356.434 1.036 50 0 FDAAMO O=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067850987 205397040 /nfs/dbraw/zinc/39/70/40/205397040.db2.gz ZZDKJNRIOUQMGQ-CYBMUJFWSA-N 1 1 357.462 1.200 50 0 FDAAMO Cc1ccc(C2(O)CCN(c3nc(N4CCC[C@@H](O)C4)cc[nH+]3)CC2)nc1 ZINC000067847667 205397408 /nfs/dbraw/zinc/39/74/08/205397408.db2.gz FNFZBKZMOQBNNL-MRXNPFEDSA-N 1 1 369.469 1.629 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000067872719 205399435 /nfs/dbraw/zinc/39/94/35/205399435.db2.gz MHEJUBWAWDOFNH-GFCCVEGCSA-N 1 1 361.421 1.071 50 0 FDAAMO Cc1cc(CC(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)on1 ZINC000071748941 205437661 /nfs/dbraw/zinc/43/76/61/205437661.db2.gz ZKJITLWQYBXUST-HNNXBMFYSA-N 1 1 374.485 1.507 50 0 FDAAMO COc1cccc(-c2nc3c([nH]2)CN(CC(=O)N2CC[NH+](C)CC2)CC3)c1 ZINC000096166239 205845751 /nfs/dbraw/zinc/84/57/51/205845751.db2.gz XGLLSUDFBDJYFF-UHFFFAOYSA-N 1 1 369.469 1.217 50 0 FDAAMO CC(C)[N@H+]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO ZINC000104395135 206238063 /nfs/dbraw/zinc/23/80/63/206238063.db2.gz IGQGJDVEGQAQAM-OAHLLOKOSA-N 1 1 354.520 1.257 50 0 FDAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000010904341 206282881 /nfs/dbraw/zinc/28/28/81/206282881.db2.gz JSLLOQPRJACXTK-MRXNPFEDSA-N 1 1 359.426 1.438 50 0 FDAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000010904341 206282885 /nfs/dbraw/zinc/28/28/85/206282885.db2.gz JSLLOQPRJACXTK-MRXNPFEDSA-N 1 1 359.426 1.438 50 0 FDAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2C(N)=O)C1 ZINC000012229194 206288978 /nfs/dbraw/zinc/28/89/78/206288978.db2.gz SNSQQNNNAGLLKO-UHFFFAOYSA-N 1 1 361.471 1.909 50 0 FDAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3cc(C)n(C)n3)c2C(N)=O)C1 ZINC000012229194 206288982 /nfs/dbraw/zinc/28/89/82/206288982.db2.gz SNSQQNNNAGLLKO-UHFFFAOYSA-N 1 1 361.471 1.909 50 0 FDAAMO C[C@@H]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](CC(N)=O)CC4)cc3c2C1 ZINC000014482371 206311201 /nfs/dbraw/zinc/31/12/01/206311201.db2.gz AHTUYBDUJHHNMN-CYBMUJFWSA-N 1 1 368.481 1.972 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000014914243 206313416 /nfs/dbraw/zinc/31/34/16/206313416.db2.gz VNDSUTMVEAVCLT-CYBMUJFWSA-N 1 1 359.451 1.719 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000014914243 206313418 /nfs/dbraw/zinc/31/34/18/206313418.db2.gz VNDSUTMVEAVCLT-CYBMUJFWSA-N 1 1 359.451 1.719 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000215054209 206344488 /nfs/dbraw/zinc/34/44/88/206344488.db2.gz WGRYCFLUNXPFAC-LLVKDONJSA-N 1 1 352.870 1.636 50 0 FDAAMO OC1(Cn2ccnc2)CC[NH+](Cc2cnc(NC[C@H]3CCCO3)nc2)CC1 ZINC000216129151 206356206 /nfs/dbraw/zinc/35/62/06/206356206.db2.gz ZVAGXPNUXSPKAL-QGZVFWFLSA-N 1 1 372.473 1.291 50 0 FDAAMO Cn1cc(CC[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 ZINC000216161214 206357059 /nfs/dbraw/zinc/35/70/59/206357059.db2.gz YHXCWPFSUYHYGK-UHFFFAOYSA-N 1 1 372.469 1.332 50 0 FDAAMO Cc1cccc(CC[N@@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 ZINC000218920473 206375042 /nfs/dbraw/zinc/37/50/42/206375042.db2.gz TUCZDHUHPIZMJV-HXUWFJFHSA-N 1 1 366.469 1.850 50 0 FDAAMO Cc1ccc2nc(COCC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)[nH]c2c1 ZINC000219050525 206378389 /nfs/dbraw/zinc/37/83/89/206378389.db2.gz DNUTVSDWLCRSHG-YJQAKTFBSA-N 1 1 358.442 1.222 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000219608190 206388075 /nfs/dbraw/zinc/38/80/75/206388075.db2.gz PXROJLIPRCGMSA-FQEVSTJZSA-N 1 1 370.453 1.029 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 ZINC000244652067 206551769 /nfs/dbraw/zinc/55/17/69/206551769.db2.gz GZDOYBYYZPCYGM-YEWDVWPNSA-N 1 1 354.397 1.615 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@H]1c1ccccn1 ZINC000077541915 132189139 /nfs/dbraw/zinc/18/91/39/132189139.db2.gz NSKRFTCYWNYSQC-SFHVURJKSA-N 1 1 366.469 1.909 50 0 FDAAMO Cc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(N)n1 ZINC000091585679 132202291 /nfs/dbraw/zinc/20/22/91/132202291.db2.gz ZHQLHISIJGARER-IBGZPJMESA-N 1 1 358.490 1.280 50 0 FDAAMO Cc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(N)n1 ZINC000091585679 132202292 /nfs/dbraw/zinc/20/22/92/132202292.db2.gz ZHQLHISIJGARER-IBGZPJMESA-N 1 1 358.490 1.280 50 0 FDAAMO COc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1(C)C ZINC000091820332 132204110 /nfs/dbraw/zinc/20/41/10/132204110.db2.gz VFYRABIJEWRBHX-HNNXBMFYSA-N 1 1 357.458 1.416 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C(=O)NC3CC3)ccn1)CC2 ZINC000092037373 132205656 /nfs/dbraw/zinc/20/56/56/132205656.db2.gz DZHQPEYPIPCHAH-UHFFFAOYSA-N 1 1 366.469 1.681 50 0 FDAAMO Cc1cc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)nc(N(C)C)n1 ZINC000092062043 132205993 /nfs/dbraw/zinc/20/59/93/132205993.db2.gz LNLFILHAOKFPJN-UHFFFAOYSA-N 1 1 374.533 1.622 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000095530919 132215289 /nfs/dbraw/zinc/21/52/89/132215289.db2.gz PQQTTXWIPYTNPN-SFHVURJKSA-N 1 1 360.502 1.869 50 0 FDAAMO Nc1cc(-c2cccc(C[NH+]3CCOCC3)c2)nc(N2CCOCC2)n1 ZINC000097425177 132228816 /nfs/dbraw/zinc/22/88/16/132228816.db2.gz QVTNTFFBBOFZTP-UHFFFAOYSA-N 1 1 355.442 1.395 50 0 FDAAMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000253418254 132293966 /nfs/dbraw/zinc/29/39/66/132293966.db2.gz MZGQRFLZLUSHJU-RHSMWYFYSA-N 1 1 360.458 1.133 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000299766423 132298343 /nfs/dbraw/zinc/29/83/43/132298343.db2.gz IXBBZBMCXZZRDW-MRXNPFEDSA-N 1 1 356.474 1.642 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000040087026 136119231 /nfs/dbraw/zinc/11/92/31/136119231.db2.gz VDMGJVKZUCGOMW-UHFFFAOYSA-N 1 1 355.486 1.518 50 0 FDAAMO O[C@@H]1CN(c2cnccn2)CC[C@H]1[NH+]1CCN(CCc2ccccc2)CC1 ZINC000071747587 136140063 /nfs/dbraw/zinc/14/00/63/136140063.db2.gz HEAJOUHZOUCWAU-WOJBJXKFSA-N 1 1 367.497 1.277 50 0 FDAAMO Nc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)[nH]n1 ZINC000072157646 136143027 /nfs/dbraw/zinc/14/30/27/136143027.db2.gz LQVOEZWOIUKDIC-MRXNPFEDSA-N 1 1 372.448 1.558 50 0 FDAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000175886005 174034849 /nfs/dbraw/zinc/03/48/49/174034849.db2.gz LSXJUCBFPBURRL-IRXDYDNUSA-N 1 1 369.473 1.825 50 0 FDAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H](c4nc(N(C)C)no4)C3)nc12 ZINC000374624947 261165183 /nfs/dbraw/zinc/16/51/83/261165183.db2.gz IRUZUVBHAMDSET-CQSZACIVSA-N 1 1 368.441 1.832 50 0 FDAAMO Cc1ccc(N2CCN(CCC[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000019772697 263376747 /nfs/dbraw/zinc/37/67/47/263376747.db2.gz CTCDNFPNAWOKFT-LJQANCHMSA-N 1 1 365.543 1.626 50 0 FDAAMO Cc1ccc(N2CCN(CCC[N@H+](C)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000019772697 263376749 /nfs/dbraw/zinc/37/67/49/263376749.db2.gz CTCDNFPNAWOKFT-LJQANCHMSA-N 1 1 365.543 1.626 50 0 FDAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](CCOCCO)C2 ZINC000426628124 263646770 /nfs/dbraw/zinc/64/67/70/263646770.db2.gz DNUQGTLQBHJGMY-LJQANCHMSA-N 1 1 368.424 1.788 50 0 FDAAMO CC1CCN(Cc2nnn(-c3nonc3N)c2C[NH+]2CCC(C)CC2)CC1 ZINC000001238598 518228608 /nfs/dbraw/zinc/22/86/08/518228608.db2.gz DFBQZWCDYNHZSD-UHFFFAOYSA-N 1 1 374.493 1.696 50 0 FDAAMO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc1 ZINC000011899037 518577698 /nfs/dbraw/zinc/57/76/98/518577698.db2.gz VTOGLAGCLZCEGN-KRWDZBQOSA-N 1 1 371.441 1.341 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCC2)C(=O)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012316973 518603102 /nfs/dbraw/zinc/60/31/02/518603102.db2.gz FXVKLHAVCXELSS-UHFFFAOYSA-N 1 1 371.489 1.638 50 0 FDAAMO COc1cc(C[NH2+]C(C)C)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012593346 518622812 /nfs/dbraw/zinc/62/28/12/518622812.db2.gz WECRJSDZEOXDOB-INIZCTEOSA-N 1 1 354.516 1.982 50 0 FDAAMO CNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000012759702 518631231 /nfs/dbraw/zinc/63/12/31/518631231.db2.gz XVCMTZATGWOEBR-OAHLLOKOSA-N 1 1 374.485 1.238 50 0 FDAAMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000012759697 518632274 /nfs/dbraw/zinc/63/22/74/518632274.db2.gz XVCMTZATGWOEBR-HNNXBMFYSA-N 1 1 374.485 1.238 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000013625596 518663127 /nfs/dbraw/zinc/66/31/27/518663127.db2.gz NZYXEJQFJCVIAO-LBPRGKRZSA-N 1 1 367.471 1.691 50 0 FDAAMO COc1ccc(OC)c(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000014977428 518702675 /nfs/dbraw/zinc/70/26/75/518702675.db2.gz BJYWACPJNJYJAZ-OAHLLOKOSA-N 1 1 361.486 1.992 50 0 FDAAMO COc1ccc(OC)c(C(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000014977428 518702680 /nfs/dbraw/zinc/70/26/80/518702680.db2.gz BJYWACPJNJYJAZ-OAHLLOKOSA-N 1 1 361.486 1.992 50 0 FDAAMO COCC[NH2+]Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000014976510 518703198 /nfs/dbraw/zinc/70/31/98/518703198.db2.gz PIVYZXUVECOUAN-MRXNPFEDSA-N 1 1 370.515 1.220 50 0 FDAAMO C[N@H+](CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccccc1F ZINC000014992637 518705369 /nfs/dbraw/zinc/70/53/69/518705369.db2.gz XFRODTFEGRJPKF-UHFFFAOYSA-N 1 1 368.416 1.874 50 0 FDAAMO C[N@@H+](CCn1cc(C(=O)NCc2ccncc2)nn1)Cc1ccccc1F ZINC000014992637 518705374 /nfs/dbraw/zinc/70/53/74/518705374.db2.gz XFRODTFEGRJPKF-UHFFFAOYSA-N 1 1 368.416 1.874 50 0 FDAAMO Cc1cccc(N2CCN(c3nc4nonc4nc3NC3CC3)CC2)[nH+]1 ZINC000015069441 518706201 /nfs/dbraw/zinc/70/62/01/518706201.db2.gz IAWXPLOROGREBG-UHFFFAOYSA-N 1 1 352.402 1.617 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000018276922 518797654 /nfs/dbraw/zinc/79/76/54/518797654.db2.gz XTUZIUKHJNOTCO-ZDUSSCGKSA-N 1 1 369.343 1.535 50 0 FDAAMO Cc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000019214537 518803285 /nfs/dbraw/zinc/80/32/85/518803285.db2.gz UNDJQZRPUYQIQV-UHFFFAOYSA-N 1 1 359.879 1.188 50 0 FDAAMO CCc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(C)(=O)=O)cc1 ZINC000019522902 518814854 /nfs/dbraw/zinc/81/48/54/518814854.db2.gz OBUDNQYCYMWKHE-UHFFFAOYSA-N 1 1 353.488 1.179 50 0 FDAAMO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020051527 518842704 /nfs/dbraw/zinc/84/27/04/518842704.db2.gz HMUZYWWDNXUWTC-QGZVFWFLSA-N 1 1 358.442 1.023 50 0 FDAAMO O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021548685 518875111 /nfs/dbraw/zinc/87/51/11/518875111.db2.gz RHEZTYQRAMSEBZ-QZTJIDSGSA-N 1 1 367.449 1.282 50 0 FDAAMO CC(C)[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)[NH+]1CCOCC1 ZINC000022510645 518901125 /nfs/dbraw/zinc/90/11/25/518901125.db2.gz JIKPTVCIAMWGJY-GOSISDBHSA-N 1 1 359.470 1.900 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022804644 518913450 /nfs/dbraw/zinc/91/34/50/518913450.db2.gz JMUBXXLPKRTCDC-AWEZNQCLSA-N 1 1 372.494 1.992 50 0 FDAAMO C[NH+]1CCN(CC(=O)Nc2cccc(I)c2)CC1 ZINC000023076564 518928177 /nfs/dbraw/zinc/92/81/77/518928177.db2.gz ZPHUCCBAZDRJSH-UHFFFAOYSA-N 1 1 359.211 1.477 50 0 FDAAMO C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826456 519085964 /nfs/dbraw/zinc/08/59/64/519085964.db2.gz NJDBLHUUNOIDFY-IXDOHACOSA-N 1 1 373.497 1.905 50 0 FDAAMO O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028265220 519231632 /nfs/dbraw/zinc/23/16/32/519231632.db2.gz XEVLBIQSIGDJAY-SFHVURJKSA-N 1 1 367.449 1.973 50 0 FDAAMO NC(=O)c1cccc(CNc2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)c1 ZINC000029997713 519340780 /nfs/dbraw/zinc/34/07/80/519340780.db2.gz PDLFBEQVFJBYGM-UHFFFAOYSA-N 1 1 367.457 1.783 50 0 FDAAMO C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H](c2ccccc2)C1 ZINC000030030261 519345066 /nfs/dbraw/zinc/34/50/66/519345066.db2.gz OTJYOHDBHWVHAL-HNNXBMFYSA-N 1 1 356.451 1.478 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@H](c2ccccc2)C1 ZINC000030030261 519345072 /nfs/dbraw/zinc/34/50/72/519345072.db2.gz OTJYOHDBHWVHAL-HNNXBMFYSA-N 1 1 356.451 1.478 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc3c(c2)OCO3)ncn1 ZINC000035598166 519610346 /nfs/dbraw/zinc/61/03/46/519610346.db2.gz BACLZAUASVTJQL-UHFFFAOYSA-N 1 1 366.381 1.541 50 0 FDAAMO COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CC[NH2+]CC1 ZINC000037465107 519630803 /nfs/dbraw/zinc/63/08/03/519630803.db2.gz ROUBLVYNGFNSJM-UHFFFAOYSA-N 1 1 369.668 1.705 50 0 FDAAMO C[C@@H]1CCc2c(sc3ncnc(N4CCC[N@H+](CC(N)=O)CC4)c23)C1 ZINC000040155535 519641791 /nfs/dbraw/zinc/64/17/91/519641791.db2.gz DQBWXWQUKCIVDL-GFCCVEGCSA-N 1 1 359.499 1.814 50 0 FDAAMO C[C@@H]1CCc2c(sc3ncnc(N4CCC[N@@H+](CC(N)=O)CC4)c23)C1 ZINC000040155535 519641793 /nfs/dbraw/zinc/64/17/93/519641793.db2.gz DQBWXWQUKCIVDL-GFCCVEGCSA-N 1 1 359.499 1.814 50 0 FDAAMO CC(C)CCN1C[C@]2(CCC[N@@H+](CC(=O)N3CCOCC3)C2)CCC1=O ZINC000091503813 519654439 /nfs/dbraw/zinc/65/44/39/519654439.db2.gz HJSWNOYIDPBZLF-HXUWFJFHSA-N 1 1 365.518 1.596 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CCN(Cc1cnc(CC3CCCC3)[nH]1)C2 ZINC000082160318 519674970 /nfs/dbraw/zinc/67/49/70/519674970.db2.gz FWHYKTVKKQXCLC-UHFFFAOYSA-N 1 1 356.474 1.991 50 0 FDAAMO CCC[C@H]1C[N@@H+](CCC(=O)NC)C[C@@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000091664489 521218730 /nfs/dbraw/zinc/21/87/30/521218730.db2.gz DPOSJCDCKPHUTC-HOCLYGCPSA-N 1 1 359.474 1.320 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cccnc2N)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000091474308 521221160 /nfs/dbraw/zinc/22/11/60/521221160.db2.gz ZUCGTCZOCYTCKP-HOCLYGCPSA-N 1 1 359.474 1.003 50 0 FDAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NC[C@H]3CCCO3)c2C)C1 ZINC000069589645 521920486 /nfs/dbraw/zinc/92/04/86/521920486.db2.gz QYLRUOVWRTYOGU-MRXNPFEDSA-N 1 1 369.469 1.863 50 0 FDAAMO Cn1cc(CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)C2CC2)cn1 ZINC000071762351 522129253 /nfs/dbraw/zinc/12/92/53/522129253.db2.gz DRPWMDRVLHDBEE-QGZVFWFLSA-N 1 1 359.518 1.717 50 0 FDAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000071762719 522130128 /nfs/dbraw/zinc/13/01/28/522130128.db2.gz DJIBTAOVKQFTDT-OAHLLOKOSA-N 1 1 371.437 1.945 50 0 FDAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000071762719 522130135 /nfs/dbraw/zinc/13/01/35/522130135.db2.gz DJIBTAOVKQFTDT-OAHLLOKOSA-N 1 1 371.437 1.945 50 0 FDAAMO Cc1nnc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000071764675 522130345 /nfs/dbraw/zinc/13/03/45/522130345.db2.gz GSGRKPUIUHHYNV-CQSZACIVSA-N 1 1 363.531 1.802 50 0 FDAAMO CC(C)[C@H]1CN(C(=O)CCn2cnnn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072142952 522168345 /nfs/dbraw/zinc/16/83/45/522168345.db2.gz MZLNOVIQKIFWPY-GOSISDBHSA-N 1 1 374.464 1.961 50 0 FDAAMO O=C(CCc1cccnc1)N1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000072150921 522178477 /nfs/dbraw/zinc/17/84/77/522178477.db2.gz MZNWDVKPIAYUJW-QGZVFWFLSA-N 1 1 356.401 1.592 50 0 FDAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1nc2ccccc2[nH]1 ZINC000072156871 522184529 /nfs/dbraw/zinc/18/45/29/522184529.db2.gz BZLILEFWXRAJNL-KRWDZBQOSA-N 1 1 371.485 1.410 50 0 FDAAMO O=C(NC1CC1)[C@@H]1C[NH2+]CCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000072164878 522191761 /nfs/dbraw/zinc/19/17/61/522191761.db2.gz NEZCAOORHSGSEA-IBGZPJMESA-N 1 1 363.461 1.898 50 0 FDAAMO OCCC[N@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072167772 522193945 /nfs/dbraw/zinc/19/39/45/522193945.db2.gz BOZUUJCHVGXTCJ-SFHVURJKSA-N 1 1 361.486 1.380 50 0 FDAAMO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000072171571 522199403 /nfs/dbraw/zinc/19/94/03/522199403.db2.gz ADDWPZADESMYJB-CQSZACIVSA-N 1 1 365.478 1.216 50 0 FDAAMO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000072171571 522199413 /nfs/dbraw/zinc/19/94/13/522199413.db2.gz ADDWPZADESMYJB-CQSZACIVSA-N 1 1 365.478 1.216 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c(=O)[nH]1 ZINC000072174022 522201434 /nfs/dbraw/zinc/20/14/34/522201434.db2.gz XXAWQMAJSLFFBA-MRXNPFEDSA-N 1 1 372.444 1.849 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(=O)[nH]1 ZINC000072174022 522201440 /nfs/dbraw/zinc/20/14/40/522201440.db2.gz XXAWQMAJSLFFBA-MRXNPFEDSA-N 1 1 372.444 1.849 50 0 FDAAMO C[C@H](c1ccc(F)c(F)c1)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000072308438 522210651 /nfs/dbraw/zinc/21/06/51/522210651.db2.gz PXLOVCONCJRDNG-CYBMUJFWSA-N 1 1 351.397 1.792 50 0 FDAAMO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072407231 522237995 /nfs/dbraw/zinc/23/79/95/522237995.db2.gz FGCKNACMOKPACJ-HNNXBMFYSA-N 1 1 370.457 1.164 50 0 FDAAMO O[C@H]1CCC[N@H+](C2CCN(Cc3cccc(CN4CCOCC4)c3)CC2)C1 ZINC000072418000 522244428 /nfs/dbraw/zinc/24/44/28/522244428.db2.gz LAWXROMCYSFISS-QFIPXVFZSA-N 1 1 373.541 1.940 50 0 FDAAMO Cc1nccn1CCC1CCN([C@H]2C[N@H+](C3CCOCC3)C[C@@H]2O)CC1 ZINC000072426471 522262148 /nfs/dbraw/zinc/26/21/48/522262148.db2.gz NNBJUQYQVPZENK-PMACEKPBSA-N 1 1 362.518 1.518 50 0 FDAAMO C[C@H](O)C(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000072448166 522282551 /nfs/dbraw/zinc/28/25/51/522282551.db2.gz OJUAPIJIWREYCJ-HNNXBMFYSA-N 1 1 367.490 1.445 50 0 FDAAMO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3[nH]nc4ccccc43)CC[C@H]21 ZINC000072454634 522285327 /nfs/dbraw/zinc/28/53/27/522285327.db2.gz JHAWLAZRCFMTEX-XJKSGUPXSA-N 1 1 355.442 1.235 50 0 FDAAMO CC[NH+](CC)Cc1cn(C2CCN(c3ncnc4nc[nH]c43)CC2)nn1 ZINC000048422271 522728899 /nfs/dbraw/zinc/72/88/99/522728899.db2.gz LSUXBVIPVMGOOH-UHFFFAOYSA-N 1 1 355.450 1.628 50 0 FDAAMO CCc1nnc(C[NH+]2CCC3(CCC(=O)N(CCCOC)C3)CC2)o1 ZINC000091444670 522731196 /nfs/dbraw/zinc/73/11/96/522731196.db2.gz FNSJTVVCCLDTFA-UHFFFAOYSA-N 1 1 350.463 1.873 50 0 FDAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2n[nH]c3ccccc23)CC1 ZINC000050576152 522920469 /nfs/dbraw/zinc/92/04/69/522920469.db2.gz CERWXFZWSMCCFP-UHFFFAOYSA-N 1 1 357.458 1.212 50 0 FDAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000077407437 523326816 /nfs/dbraw/zinc/32/68/16/523326816.db2.gz GPGQEQXASFLJFB-LJQANCHMSA-N 1 1 373.476 1.996 50 0 FDAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000077407437 523326825 /nfs/dbraw/zinc/32/68/25/523326825.db2.gz GPGQEQXASFLJFB-LJQANCHMSA-N 1 1 373.476 1.996 50 0 FDAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000077407437 523326830 /nfs/dbraw/zinc/32/68/30/523326830.db2.gz GPGQEQXASFLJFB-LJQANCHMSA-N 1 1 373.476 1.996 50 0 FDAAMO COc1ccc(CNC(=O)CC[N@@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)cc1 ZINC000077426556 523334277 /nfs/dbraw/zinc/33/42/77/523334277.db2.gz MBLZZAOLMZJGBE-RBUKOAKNSA-N 1 1 361.486 1.794 50 0 FDAAMO COc1c[nH]c(C[N@H+]2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc1=O ZINC000077437257 523335043 /nfs/dbraw/zinc/33/50/43/523335043.db2.gz ARGPDOGTXLANIZ-FQEVSTJZSA-N 1 1 359.470 1.998 50 0 FDAAMO COc1ccc(C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)c(OC)n1 ZINC000077458409 523348117 /nfs/dbraw/zinc/34/81/17/523348117.db2.gz DGEIWGOZGICIAP-UHFFFAOYSA-N 1 1 356.426 1.842 50 0 FDAAMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)c(OC)n1 ZINC000077458409 523348125 /nfs/dbraw/zinc/34/81/25/523348125.db2.gz DGEIWGOZGICIAP-UHFFFAOYSA-N 1 1 356.426 1.842 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000078560145 523605833 /nfs/dbraw/zinc/60/58/33/523605833.db2.gz AWNNOAOXBGPQSR-HNNXBMFYSA-N 1 1 355.479 1.616 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000078582472 523611159 /nfs/dbraw/zinc/61/11/59/523611159.db2.gz DJKMCINNEJHBBB-CQSZACIVSA-N 1 1 357.451 1.144 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(c1ncccc1C(=O)N1CCCC1)CC2 ZINC000067973560 523653974 /nfs/dbraw/zinc/65/39/74/523653974.db2.gz SZMVHWOCHZGPMV-UHFFFAOYSA-N 1 1 357.502 1.534 50 0 FDAAMO O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000068524528 523811194 /nfs/dbraw/zinc/81/11/94/523811194.db2.gz RWPVUQGPHXMINM-AWEZNQCLSA-N 1 1 370.453 1.743 50 0 FDAAMO CCc1cc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)nc(C)[nH+]1 ZINC000082115995 523823661 /nfs/dbraw/zinc/82/36/61/523823661.db2.gz XLKGGOCXXADYBL-UHFFFAOYSA-N 1 1 364.475 1.321 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cnc(-c3cccc(C)c3)[nH]c2=O)C1 ZINC000082099366 523867835 /nfs/dbraw/zinc/86/78/35/523867835.db2.gz OTHRWPZWPMZVKU-OAHLLOKOSA-N 1 1 370.453 1.856 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@@H]1CO ZINC000091651365 524060837 /nfs/dbraw/zinc/06/08/37/524060837.db2.gz YWQVZAKWFSQFPG-QZTJIDSGSA-N 1 1 359.470 1.607 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@@H]1CO ZINC000091651365 524060839 /nfs/dbraw/zinc/06/08/39/524060839.db2.gz YWQVZAKWFSQFPG-QZTJIDSGSA-N 1 1 359.470 1.607 50 0 FDAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)CNc2cccc(O)c2)C1 ZINC000136784798 524215942 /nfs/dbraw/zinc/21/59/42/524215942.db2.gz NIESREDNVAQROX-HDMKZQKVSA-N 1 1 355.438 1.446 50 0 FDAAMO Cc1cccc(C)c1C[N@H+]1CCC[C@H](Cn2cc(CNC(N)=O)nn2)C1 ZINC000020540132 524260101 /nfs/dbraw/zinc/26/01/01/524260101.db2.gz NLRPCMQKQGGNNL-INIZCTEOSA-N 1 1 356.474 1.975 50 0 FDAAMO Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000020725043 524428976 /nfs/dbraw/zinc/42/89/76/524428976.db2.gz SQLMNSJIGQAFNW-LJQANCHMSA-N 1 1 372.513 1.240 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccc(F)cc1)C2 ZINC000091364532 524693105 /nfs/dbraw/zinc/69/31/05/524693105.db2.gz HKTGDUYDKOOHLH-DOTOQJQBSA-N 1 1 362.449 1.520 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)NCc1ccc(F)cc1)C2 ZINC000091364532 524693114 /nfs/dbraw/zinc/69/31/14/524693114.db2.gz HKTGDUYDKOOHLH-DOTOQJQBSA-N 1 1 362.449 1.520 50 0 FDAAMO CC(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cc1 ZINC000091655814 524754223 /nfs/dbraw/zinc/75/42/23/524754223.db2.gz ZKGKMRYWSMVYAH-RTBURBONSA-N 1 1 361.486 1.063 50 0 FDAAMO CC(=O)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1 ZINC000091655814 524754231 /nfs/dbraw/zinc/75/42/31/524754231.db2.gz ZKGKMRYWSMVYAH-RTBURBONSA-N 1 1 361.486 1.063 50 0 FDAAMO O=C([C@@H]1CC(=O)Nc2ccc(F)cc21)N1CC[NH+](CCn2cccc2)CC1 ZINC000091656288 524754672 /nfs/dbraw/zinc/75/46/72/524754672.db2.gz RDRAAVRIAMVQJT-QGZVFWFLSA-N 1 1 370.428 1.897 50 0 FDAAMO O=C(CN1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091707251 524764516 /nfs/dbraw/zinc/76/45/16/524764516.db2.gz VCINXLZLOKFJHK-PKOBYXMFSA-N 1 1 361.461 1.581 50 0 FDAAMO COCCC(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091745281 524771510 /nfs/dbraw/zinc/77/15/10/524771510.db2.gz TZFOUUDUDIJLTJ-UHFFFAOYSA-N 1 1 363.506 1.934 50 0 FDAAMO CCc1nc(SCC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)n[nH]1 ZINC000091830530 524794648 /nfs/dbraw/zinc/79/46/48/524794648.db2.gz ZXOPWUXDAHJFBG-UHFFFAOYSA-N 1 1 360.487 1.902 50 0 FDAAMO CCc1n[nH]c(SCC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)n1 ZINC000091830530 524794658 /nfs/dbraw/zinc/79/46/58/524794658.db2.gz ZXOPWUXDAHJFBG-UHFFFAOYSA-N 1 1 360.487 1.902 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000091873394 524802699 /nfs/dbraw/zinc/80/26/99/524802699.db2.gz MZKKDOHSUVXJQM-UHFFFAOYSA-N 1 1 358.417 1.933 50 0 FDAAMO COCCn1cc[nH+]c1C1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000091907079 524809514 /nfs/dbraw/zinc/80/95/14/524809514.db2.gz QNKYEZOVHSFZPB-UHFFFAOYSA-N 1 1 353.430 1.889 50 0 FDAAMO O=C(CN1CCCC1=O)N[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1C1CC1 ZINC000091974324 524824048 /nfs/dbraw/zinc/82/40/48/524824048.db2.gz GFCHFBSFJDRYRL-AEFFLSMTSA-N 1 1 359.445 1.775 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000091988443 524824629 /nfs/dbraw/zinc/82/46/29/524824629.db2.gz XTXULPLWVGXCFB-AWEZNQCLSA-N 1 1 359.401 1.899 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000091997215 524825117 /nfs/dbraw/zinc/82/51/17/524825117.db2.gz IPWJAZORADBBPV-UHFFFAOYSA-N 1 1 369.517 1.337 50 0 FDAAMO COCCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)n1cc[nH+]c1C)CC2 ZINC000092038993 524834549 /nfs/dbraw/zinc/83/45/49/524834549.db2.gz FZKLAMOKUDEOBY-OAHLLOKOSA-N 1 1 362.474 1.630 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2cccc(O)c2)CC3)C1 ZINC000092080727 524845054 /nfs/dbraw/zinc/84/50/54/524845054.db2.gz RGDYEXFWSLKVLH-KRWDZBQOSA-N 1 1 371.481 1.941 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(Cc2nnc(C)o2)CC1 ZINC000092080640 524845516 /nfs/dbraw/zinc/84/55/16/524845516.db2.gz PEQRXOQYGXTVLN-UHFFFAOYSA-N 1 1 370.461 1.922 50 0 FDAAMO COc1cccc(OCC[N@H+]2C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C2)c1 ZINC000092081688 524846599 /nfs/dbraw/zinc/84/65/99/524846599.db2.gz HNQAOWLQUIIEAM-SJORKVTESA-N 1 1 354.472 1.334 50 0 FDAAMO Cc1cc(C(=O)N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)no1 ZINC000095354531 525029900 /nfs/dbraw/zinc/02/99/00/525029900.db2.gz SKLAEUPICIHZJM-CQSZACIVSA-N 1 1 369.429 1.685 50 0 FDAAMO O=C(NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1)c1cccnc1 ZINC000095357502 525031188 /nfs/dbraw/zinc/03/11/88/525031188.db2.gz GPSLUCOGYCBIME-INIZCTEOSA-N 1 1 356.426 1.433 50 0 FDAAMO O=C(Cn1cccnc1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095357289 525031692 /nfs/dbraw/zinc/03/16/92/525031692.db2.gz SXKCHYYOLPJIQO-FUHWJXTLSA-N 1 1 370.428 1.505 50 0 FDAAMO O=C(NCc1nnnn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095359427 525035176 /nfs/dbraw/zinc/03/51/76/525035176.db2.gz OTQMSXWVJXXZQX-HNNXBMFYSA-N 1 1 354.458 1.933 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC000095363049 525036393 /nfs/dbraw/zinc/03/63/93/525036393.db2.gz SMYLHHFCGUYXGH-SFHVURJKSA-N 1 1 374.485 1.194 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ccc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000095362169 525037481 /nfs/dbraw/zinc/03/74/81/525037481.db2.gz IXSAQTBHUBQFSF-QZTJIDSGSA-N 1 1 368.481 1.163 50 0 FDAAMO Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)nc2c1CCC2 ZINC000095367985 525042585 /nfs/dbraw/zinc/04/25/85/525042585.db2.gz BUUHZOYSNFVJPT-IBGZPJMESA-N 1 1 350.466 1.989 50 0 FDAAMO Cc1nc(CCNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)nc2c1CCC2 ZINC000095367985 525042598 /nfs/dbraw/zinc/04/25/98/525042598.db2.gz BUUHZOYSNFVJPT-IBGZPJMESA-N 1 1 350.466 1.989 50 0 FDAAMO O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095375455 525050964 /nfs/dbraw/zinc/05/09/64/525050964.db2.gz FKJMNGPVTCDMNE-CYBMUJFWSA-N 1 1 356.430 1.797 50 0 FDAAMO CCc1nn(C)c(Cl)c1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095390530 525062382 /nfs/dbraw/zinc/06/23/82/525062382.db2.gz FENBTFILDBXSIE-SFHVURJKSA-N 1 1 367.925 1.764 50 0 FDAAMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 ZINC000095430231 525067451 /nfs/dbraw/zinc/06/74/51/525067451.db2.gz KUQFCOYDXHYSAR-NVXWUHKLSA-N 1 1 350.459 1.515 50 0 FDAAMO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCC[NH+]1CCOCC1 ZINC000095472351 525075357 /nfs/dbraw/zinc/07/53/57/525075357.db2.gz QCIPNAKYXMDBJD-UHFFFAOYSA-N 1 1 360.433 1.905 50 0 FDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)CC3CC3)c2)CC1 ZINC000095507363 525089966 /nfs/dbraw/zinc/08/99/66/525089966.db2.gz WCMSBKOYJMVXRU-HXUWFJFHSA-N 1 1 361.530 1.906 50 0 FDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[N@@H+](C)CC3CC3)c2)CC1 ZINC000095507363 525089978 /nfs/dbraw/zinc/08/99/78/525089978.db2.gz WCMSBKOYJMVXRU-HXUWFJFHSA-N 1 1 361.530 1.906 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)CC[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000095509463 525093375 /nfs/dbraw/zinc/09/33/75/525093375.db2.gz DMYFWVVPGSKKGA-MAUKXSAKSA-N 1 1 358.486 1.976 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095523407 525101662 /nfs/dbraw/zinc/10/16/62/525101662.db2.gz HMUYGAPGGAAWAZ-DLBZAZTESA-N 1 1 373.494 1.557 50 0 FDAAMO CSc1cccc(NC(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000095530112 525105338 /nfs/dbraw/zinc/10/53/38/525105338.db2.gz SUYLBNJJADVEJX-HOTGVXAUSA-N 1 1 351.472 1.708 50 0 FDAAMO CSc1cccc(NC(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000095530112 525105341 /nfs/dbraw/zinc/10/53/41/525105341.db2.gz SUYLBNJJADVEJX-HOTGVXAUSA-N 1 1 351.472 1.708 50 0 FDAAMO C[N@H+]1CCC[C@@H]1Cc1nc(CC(N)=O)nn1-c1cccc(C(F)(F)F)c1 ZINC000096151123 525142065 /nfs/dbraw/zinc/14/20/65/525142065.db2.gz GIWBSLHFKFXDKL-GFCCVEGCSA-N 1 1 367.375 1.951 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)C3)cc1 ZINC000096162061 525144923 /nfs/dbraw/zinc/14/49/23/525144923.db2.gz VFICNHVNYCUCEI-HNNXBMFYSA-N 1 1 370.453 1.427 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)C3)cc1 ZINC000096162061 525144928 /nfs/dbraw/zinc/14/49/28/525144928.db2.gz VFICNHVNYCUCEI-HNNXBMFYSA-N 1 1 370.453 1.427 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC3)cc1 ZINC000096162061 525144939 /nfs/dbraw/zinc/14/49/39/525144939.db2.gz VFICNHVNYCUCEI-HNNXBMFYSA-N 1 1 370.453 1.427 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC3)cc1 ZINC000096162061 525144940 /nfs/dbraw/zinc/14/49/40/525144940.db2.gz VFICNHVNYCUCEI-HNNXBMFYSA-N 1 1 370.453 1.427 50 0 FDAAMO CCCNC(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097097135 525172726 /nfs/dbraw/zinc/17/27/26/525172726.db2.gz MHCUEXJZASOOKA-SFHVURJKSA-N 1 1 358.486 1.915 50 0 FDAAMO CCCNC(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097097135 525172741 /nfs/dbraw/zinc/17/27/41/525172741.db2.gz MHCUEXJZASOOKA-SFHVURJKSA-N 1 1 358.486 1.915 50 0 FDAAMO O=C(c1coc(CN2CCOCC2)c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000097156000 525173998 /nfs/dbraw/zinc/17/39/98/525173998.db2.gz LNTAPZJLHYAPML-IBGZPJMESA-N 1 1 355.438 1.899 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000097551252 525185335 /nfs/dbraw/zinc/18/53/35/525185335.db2.gz FOVKUQIMEMSSQE-INIZCTEOSA-N 1 1 369.469 1.951 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000097551252 525185347 /nfs/dbraw/zinc/18/53/47/525185347.db2.gz FOVKUQIMEMSSQE-INIZCTEOSA-N 1 1 369.469 1.951 50 0 FDAAMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)o2)CC1 ZINC000097654147 525191030 /nfs/dbraw/zinc/19/10/30/525191030.db2.gz FEWHPXYQEAKOCY-HNNXBMFYSA-N 1 1 357.458 1.770 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N(CCO)Cc1cccs1 ZINC000097785623 525194878 /nfs/dbraw/zinc/19/48/78/525194878.db2.gz YEMWBMHYPWJMCP-OAHLLOKOSA-N 1 1 352.500 1.960 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000176995154 525215242 /nfs/dbraw/zinc/21/52/42/525215242.db2.gz VDGXXFBJLSXKHI-KRWDZBQOSA-N 1 1 354.454 1.853 50 0 FDAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162368245 525251430 /nfs/dbraw/zinc/25/14/30/525251430.db2.gz DJZSECLTXJBJTP-UHFFFAOYSA-N 1 1 369.425 1.663 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3=CSC4=NCCN34)CC2)C[C@H](C)O1 ZINC000102562858 525292591 /nfs/dbraw/zinc/29/25/91/525292591.db2.gz KLZJWQRCYLXWLJ-OKILXGFUSA-N 1 1 364.515 1.737 50 0 FDAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000169678410 525626198 /nfs/dbraw/zinc/62/61/98/525626198.db2.gz XYAYLMJHZOGIFE-RTBURBONSA-N 1 1 364.486 1.493 50 0 FDAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000169678410 525626208 /nfs/dbraw/zinc/62/62/08/525626208.db2.gz XYAYLMJHZOGIFE-RTBURBONSA-N 1 1 364.486 1.493 50 0 FDAAMO CC(C)[C@@H](C(=O)N1CCN(c2cccnn2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000170631758 525650363 /nfs/dbraw/zinc/65/03/63/525650363.db2.gz CMESZNRIFVGKFG-NUJGCVRESA-N 1 1 361.490 1.259 50 0 FDAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)n1 ZINC000106179896 525654994 /nfs/dbraw/zinc/65/49/94/525654994.db2.gz PPJUTKDPDFRMOO-INIZCTEOSA-N 1 1 352.442 1.815 50 0 FDAAMO COCc1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000108999748 526054618 /nfs/dbraw/zinc/05/46/18/526054618.db2.gz DTPMSYXWYIJVPH-UHFFFAOYSA-N 1 1 363.458 1.442 50 0 FDAAMO Cc1nnnn1CCC[N@@H+]1C[C@@H]2CCN(C(=O)N(C)c3ccccc3)[C@@H]2C1 ZINC000082119994 526436856 /nfs/dbraw/zinc/43/68/56/526436856.db2.gz ADYJHGWGHKVSTB-FUHWJXTLSA-N 1 1 369.473 1.634 50 0 FDAAMO O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000091535691 526524161 /nfs/dbraw/zinc/52/41/61/526524161.db2.gz UALJTHPWKIKLGN-KRWDZBQOSA-N 1 1 370.497 1.907 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2c[nH]nc2C2CCCCC2)C[C@H]1CN1CCOCC1 ZINC000091616592 527621516 /nfs/dbraw/zinc/62/15/16/527621516.db2.gz AZJLVWXVKXWFOV-RTBURBONSA-N 1 1 362.518 1.830 50 0 FDAAMO CC(C)Cn1cncc1C[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000096131643 534920025 /nfs/dbraw/zinc/92/00/25/534920025.db2.gz HOKXXMVWOFJQNV-UHFFFAOYSA-N 1 1 354.462 1.964 50 0 FDAAMO COCCN1CC[C@]2(CN(c3ncccc3F)CC[N@H+]2C)CCC1=O ZINC000091694895 536879099 /nfs/dbraw/zinc/87/90/99/536879099.db2.gz KSBYORKZXNUZME-SFHVURJKSA-N 1 1 350.438 1.370 50 0 FDAAMO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(N(C)C)NC3=O)c(C)c1 ZINC000252501301 537250589 /nfs/dbraw/zinc/25/05/89/537250589.db2.gz UDPNWCRFHBNCKN-UHFFFAOYSA-N 1 1 357.458 1.124 50 0 FDAAMO O=C(CCN1Cc2ccccc2C1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000220396291 537488380 /nfs/dbraw/zinc/48/83/80/537488380.db2.gz GARGWWJTHGRYEP-SFHVURJKSA-N 1 1 371.481 1.746 50 0 FDAAMO C[NH+]1CCN(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)CC1 ZINC000220493011 537490550 /nfs/dbraw/zinc/49/05/50/537490550.db2.gz ALRPCEJWOMKUEZ-MSOLQXFVSA-N 1 1 365.449 1.116 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cnc2cnccn12 ZINC000221167371 537495737 /nfs/dbraw/zinc/49/57/37/537495737.db2.gz MAZCJDTXSRHQKQ-GOSISDBHSA-N 1 1 365.437 1.637 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cnc2cnccn12 ZINC000221167371 537495744 /nfs/dbraw/zinc/49/57/44/537495744.db2.gz MAZCJDTXSRHQKQ-GOSISDBHSA-N 1 1 365.437 1.637 50 0 FDAAMO COc1ccnc(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000221274047 537498205 /nfs/dbraw/zinc/49/82/05/537498205.db2.gz NDHAVUCIXKDVHH-IBGZPJMESA-N 1 1 355.438 1.998 50 0 FDAAMO COc1ccnc(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000221274047 537498209 /nfs/dbraw/zinc/49/82/09/537498209.db2.gz NDHAVUCIXKDVHH-IBGZPJMESA-N 1 1 355.438 1.998 50 0 FDAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230203314 537579036 /nfs/dbraw/zinc/57/90/36/537579036.db2.gz ICTWSXFMLFGJKR-YOEHRIQHSA-N 1 1 370.453 1.071 50 0 FDAAMO CCOC(=O)N1CCC(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)CC1 ZINC000230179027 537579353 /nfs/dbraw/zinc/57/93/53/537579353.db2.gz IIWREPXFNQEKSH-LJQANCHMSA-N 1 1 366.506 1.236 50 0 FDAAMO CCOC(=O)N1CCC([N@@H+]2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)CC1 ZINC000230179027 537579356 /nfs/dbraw/zinc/57/93/56/537579356.db2.gz IIWREPXFNQEKSH-LJQANCHMSA-N 1 1 366.506 1.236 50 0 FDAAMO CCOC(=O)N1CCC([N@H+]2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)CC1 ZINC000230179027 537579360 /nfs/dbraw/zinc/57/93/60/537579360.db2.gz IIWREPXFNQEKSH-LJQANCHMSA-N 1 1 366.506 1.236 50 0 FDAAMO C[N@H+]1CCCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000239296806 537644792 /nfs/dbraw/zinc/64/47/92/537644792.db2.gz DJXRFKJHUNPXJQ-AWEZNQCLSA-N 1 1 366.259 1.719 50 0 FDAAMO O=C(Cn1ccc2ccccc21)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244691835 537649671 /nfs/dbraw/zinc/64/96/71/537649671.db2.gz JJXTYEBFIDFNGM-UYAOXDASSA-N 1 1 364.449 1.788 50 0 FDAAMO O=C(Cn1ccc2ccccc21)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244691835 537649675 /nfs/dbraw/zinc/64/96/75/537649675.db2.gz JJXTYEBFIDFNGM-UYAOXDASSA-N 1 1 364.449 1.788 50 0 FDAAMO Cn1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c(=O)c2ccccc21 ZINC000244673982 537650435 /nfs/dbraw/zinc/65/04/35/537650435.db2.gz HZFZLYZDMGZZCT-WMZOPIPTSA-N 1 1 355.438 1.522 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1cc(NS(C)(=O)=O)ccc1F ZINC000426674287 538122777 /nfs/dbraw/zinc/12/27/77/538122777.db2.gz RLGSOPYXYWGHLW-KBPBESRZSA-N 1 1 374.438 1.038 50 0 FDAAMO COCC[NH+]1CCN(C(=O)NC2CCN(c3ccccc3F)CC2)CC1 ZINC000426647916 538425988 /nfs/dbraw/zinc/42/59/88/538425988.db2.gz LIKGQXZAIAIIQQ-UHFFFAOYSA-N 1 1 364.465 1.768 50 0 FDAAMO COc1cccc(N2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C(C)C)CC2=O)c1 ZINC000584888524 551565055 /nfs/dbraw/zinc/56/50/55/551565055.db2.gz RHPBPGYUSLSBQH-KRWDZBQOSA-N 1 1 374.485 1.926 50 0 FDAAMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@H](CO)c2ccc(F)cc2)CC1 ZINC000584888732 551565556 /nfs/dbraw/zinc/56/55/56/551565556.db2.gz JOXINTLDANBOEN-MRXNPFEDSA-N 1 1 352.454 1.184 50 0 FDAAMO O=C(Cn1cccn1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000584896638 551566668 /nfs/dbraw/zinc/56/66/68/551566668.db2.gz UHHYZHJJSLYEAP-UHFFFAOYSA-N 1 1 367.497 1.692 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000584900953 551567406 /nfs/dbraw/zinc/56/74/06/551567406.db2.gz DNVKWEGQHAQQSW-KRWDZBQOSA-N 1 1 374.533 1.512 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCCc2noc(C(C)C)n2)C[C@@H]1CCO ZINC000584904215 551568022 /nfs/dbraw/zinc/56/80/22/551568022.db2.gz CWRZVYRWOJCKNJ-HNNXBMFYSA-N 1 1 367.494 1.470 50 0 FDAAMO O=C([C@@H]1CCCO1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200177 570819634 /nfs/dbraw/zinc/81/96/34/570819634.db2.gz VXYIBFLGCONXJY-INIZCTEOSA-N 1 1 364.515 1.957 50 0 FDAAMO Cc1nc(C[C@@H]2CCCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)no1 ZINC000685941952 571101737 /nfs/dbraw/zinc/10/17/37/571101737.db2.gz JZDSNJQWSSOASK-ZDUSSCGKSA-N 1 1 358.446 1.663 50 0 FDAAMO Cn1cc(C[C@H]2CCN(C(=O)c3cnc(C4CC[NH+](C)CC4)[nH]3)C2)cn1 ZINC000685941836 571102344 /nfs/dbraw/zinc/10/23/44/571102344.db2.gz JICHBULWLDAYJN-CQSZACIVSA-N 1 1 356.474 1.657 50 0 FDAAMO Cc1cc(CN(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000242324325 571111309 /nfs/dbraw/zinc/11/13/09/571111309.db2.gz ZADNIILLFYYKRG-MRXNPFEDSA-N 1 1 356.426 1.332 50 0 FDAAMO CC(=O)N[C@H]1C[C@H](c2nnc(C[NH2+]Cc3cc4ccccc4[nH]3)n2C)C1 ZINC000244893021 571119418 /nfs/dbraw/zinc/11/94/18/571119418.db2.gz YTXAVNURSFFDPD-SHTZXODSSA-N 1 1 352.442 1.968 50 0 FDAAMO CC[NH+]1CCN(c2ccc(C(=O)Nc3nnc4ccccn43)cc2F)CC1 ZINC000058203190 571131914 /nfs/dbraw/zinc/13/19/14/571131914.db2.gz RIFHHZNKZROZKV-UHFFFAOYSA-N 1 1 368.416 2.263 50 0 FDAAMO Nc1nc(NCCCc2nc3cc(F)ccc3[nH]2)cc([C@H]2CCOC2)[nH+]1 ZINC000426658279 571138494 /nfs/dbraw/zinc/13/84/94/571138494.db2.gz HIOMVGMSXGPPEZ-NSHDSACASA-N 1 1 356.405 2.045 50 0 FDAAMO Cc1ccc(-c2noc(CNc3cc([C@H]4CCOC4)[nH+]c(N)n3)n2)cc1 ZINC000426707198 571138692 /nfs/dbraw/zinc/13/86/92/571138692.db2.gz LPLUEXBVGKJVKO-ZDUSSCGKSA-N 1 1 352.398 1.955 50 0 FDAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C=O)CC2)C1 ZINC000261491013 571164561 /nfs/dbraw/zinc/16/45/61/571164561.db2.gz WVUYLRHTWQKHHO-MRXNPFEDSA-N 1 1 369.469 1.086 50 0 FDAAMO Cc1nc(CCN(C)C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000286175286 571178183 /nfs/dbraw/zinc/17/81/83/571178183.db2.gz INIGESQUYZRAGA-KRWDZBQOSA-N 1 1 358.442 1.670 50 0 FDAAMO Cc1nc(CCN(C)C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000286175286 571178184 /nfs/dbraw/zinc/17/81/84/571178184.db2.gz INIGESQUYZRAGA-KRWDZBQOSA-N 1 1 358.442 1.670 50 0 FDAAMO O=C(NCCN1CCC(O)CC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299757319 571192536 /nfs/dbraw/zinc/19/25/36/571192536.db2.gz LKMHPSODHAKGDC-ZCNNSNEGSA-N 1 1 357.498 1.785 50 0 FDAAMO O=C(NCCN1CCC(O)CC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299757319 571192539 /nfs/dbraw/zinc/19/25/39/571192539.db2.gz LKMHPSODHAKGDC-ZCNNSNEGSA-N 1 1 357.498 1.785 50 0 FDAAMO O[C@@]12CCOC[C@@H]1C[N@@H+](Cc1nnc(-c3ccccc3)o1)[C@H]1CCOC[C@H]12 ZINC000299765755 571194616 /nfs/dbraw/zinc/19/46/16/571194616.db2.gz QVFLPKIPNDSAEG-CLWJZODNSA-N 1 1 371.437 1.725 50 0 FDAAMO CCn1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)c1C ZINC000299768516 571195141 /nfs/dbraw/zinc/19/51/41/571195141.db2.gz OAOWJHXFZCSEGY-NVXWUHKLSA-N 1 1 361.446 1.181 50 0 FDAAMO CCn1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)c1C ZINC000299768516 571195143 /nfs/dbraw/zinc/19/51/43/571195143.db2.gz OAOWJHXFZCSEGY-NVXWUHKLSA-N 1 1 361.446 1.181 50 0 FDAAMO CO[C@]12CC[N@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299769612 571195390 /nfs/dbraw/zinc/19/53/90/571195390.db2.gz OLHDCYGSPDUTCR-XYJFISCASA-N 1 1 351.447 1.695 50 0 FDAAMO CO[C@]12CC[N@@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299769612 571195391 /nfs/dbraw/zinc/19/53/91/571195391.db2.gz OLHDCYGSPDUTCR-XYJFISCASA-N 1 1 351.447 1.695 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000091893863 571197369 /nfs/dbraw/zinc/19/73/69/571197369.db2.gz MIDHZCBUDFHBQF-ZDUSSCGKSA-N 1 1 357.376 1.561 50 0 FDAAMO CCOc1ccc2nc(N3CCC[N@@H+](C[C@@H](O)CO)CC3)nc(C)c2c1 ZINC000299779470 571197701 /nfs/dbraw/zinc/19/77/01/571197701.db2.gz UFLJTJBEBZUMOV-OAHLLOKOSA-N 1 1 360.458 1.202 50 0 FDAAMO CCOc1cccc(CN(CCO)c2cc([C@@H]3CCOC3)[nH+]c(N)n2)c1 ZINC000299781444 571198306 /nfs/dbraw/zinc/19/83/06/571198306.db2.gz SYWYIRRQSIAFPJ-OAHLLOKOSA-N 1 1 358.442 1.960 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299793683 571201674 /nfs/dbraw/zinc/20/16/74/571201674.db2.gz JIXQUWRIPSOYCX-MRXNPFEDSA-N 1 1 354.458 1.640 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299793683 571201675 /nfs/dbraw/zinc/20/16/75/571201675.db2.gz JIXQUWRIPSOYCX-MRXNPFEDSA-N 1 1 354.458 1.640 50 0 FDAAMO C[C@@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1ccc(F)cc1 ZINC000426517959 571229805 /nfs/dbraw/zinc/22/98/05/571229805.db2.gz QCMXEOUXKRPPIZ-CQSZACIVSA-N 1 1 362.449 1.883 50 0 FDAAMO CCc1ccccc1OC1CN(C(=O)NCC[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000426711183 571236045 /nfs/dbraw/zinc/23/60/45/571236045.db2.gz CSRFVIFJODJTEG-MRXNPFEDSA-N 1 1 361.486 1.726 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CSc1ccc2nnc(C(C)C)n2n1 ZINC000524735047 571259239 /nfs/dbraw/zinc/25/92/39/571259239.db2.gz QLEKZNJPOBMIKM-ZDUSSCGKSA-N 1 1 362.503 1.940 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000091707044 671512630 /nfs/dbraw/zinc/51/26/30/671512630.db2.gz YVZAOAXQBVIEOF-RHSMWYFYSA-N 1 1 360.483 1.933 50 0 FDAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000169788064 672042004 /nfs/dbraw/zinc/04/20/04/672042004.db2.gz NBAGWXLWIPFUEQ-OAHLLOKOSA-N 1 1 365.503 1.978 50 0 FDAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3nc4c(s3)COCC4)CC2)CCO1 ZINC000172258926 672065565 /nfs/dbraw/zinc/06/55/65/672065565.db2.gz DWQSDSHTGPUDLK-GFCCVEGCSA-N 1 1 366.487 1.933 50 0 FDAAMO CCOCc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCOC ZINC000328589702 792144793 /nfs/dbraw/zinc/14/47/93/792144793.db2.gz LYOVGTRVBYEQBE-IYBDPMFKSA-N 1 1 369.510 1.397 50 0 FDAAMO CCOCc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCCOC ZINC000328589702 792144803 /nfs/dbraw/zinc/14/48/03/792144803.db2.gz LYOVGTRVBYEQBE-IYBDPMFKSA-N 1 1 369.510 1.397 50 0 FDAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)o1 ZINC000019743252 792326517 /nfs/dbraw/zinc/32/65/17/792326517.db2.gz GGHRBXVVZBMERG-CQSZACIVSA-N 1 1 373.457 1.145 50 0 FDAAMO COCC1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CCC1 ZINC000284459126 792488570 /nfs/dbraw/zinc/48/85/70/792488570.db2.gz WJLCWTWMWKEXRT-UHFFFAOYSA-N 1 1 359.470 1.758 50 0 FDAAMO CCC(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000675009796 795206176 /nfs/dbraw/zinc/20/61/76/795206176.db2.gz FRSYBMGLHJPJBP-INIZCTEOSA-N 1 1 354.458 1.805 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C)nc3)CC2)C12CCOCC2 ZINC000257183826 864490871 /nfs/dbraw/zinc/49/08/71/864490871.db2.gz SINJPPATSXLPDA-GOSISDBHSA-N 1 1 359.470 1.874 50 0 FDAAMO CC[N@@H+](CCNC(=O)[C@H]1Cn2cccc2C(=O)N1C)Cc1ccccc1 ZINC000169779214 864510370 /nfs/dbraw/zinc/51/03/70/864510370.db2.gz OTEMDWFSYCEVIG-GOSISDBHSA-N 1 1 354.454 1.581 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000169790905 864528839 /nfs/dbraw/zinc/52/88/39/864528839.db2.gz DZGVSMPTEUIFLQ-YLJYHZDGSA-N 1 1 370.497 1.939 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc2cc[nH]c2c1 ZINC000169790905 864528849 /nfs/dbraw/zinc/52/88/49/864528849.db2.gz DZGVSMPTEUIFLQ-YLJYHZDGSA-N 1 1 370.497 1.939 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000012203738 877178881 /nfs/dbraw/zinc/17/88/81/877178881.db2.gz FJKOXGVAOMVPOO-CYBMUJFWSA-N 1 1 369.454 1.970 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000012203738 877178886 /nfs/dbraw/zinc/17/88/86/877178886.db2.gz FJKOXGVAOMVPOO-CYBMUJFWSA-N 1 1 369.454 1.970 50 0 FDAAMO CCCNC(=O)N1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000822927606 921034408 /nfs/dbraw/zinc/03/44/08/921034408.db2.gz HVZSJEJZPYZJTE-MRXNPFEDSA-N 1 1 366.506 1.284 50 0 FDAAMO C[NH+](C)[C@@H](Cc1ccccc1)c1nc(CC(N)=O)nn1-c1cccnc1 ZINC000826841983 924329330 /nfs/dbraw/zinc/32/93/30/924329330.db2.gz GMTKAQJXOMAECD-INIZCTEOSA-N 1 1 350.426 1.536 50 0 FDAAMO CN(Cc1ccccc1)S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000828710782 924925834 /nfs/dbraw/zinc/92/58/34/924925834.db2.gz DBATXNIPLDULFN-QGZVFWFLSA-N 1 1 355.504 1.190 50 0 FDAAMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1noc(CO)n1 ZINC000828840492 924944256 /nfs/dbraw/zinc/94/42/56/924944256.db2.gz JPYYLHQKKSGZSV-INIZCTEOSA-N 1 1 373.457 1.268 50 0 FDAAMO CC(C)N1C(=O)C(CC(=O)NCCC[NH+]2CCOCC2)=C2CCCC[C@@H]21 ZINC000581792514 927591585 /nfs/dbraw/zinc/59/15/85/927591585.db2.gz IHYIBSSDBXDGAP-SFHVURJKSA-N 1 1 363.502 1.705 50 0 FDAAMO O=C(Cn1ccnc1)N1CC([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC000581794689 927595430 /nfs/dbraw/zinc/59/54/30/927595430.db2.gz NWZKREKXTUSRFV-UHFFFAOYSA-N 1 1 354.454 1.775 50 0 FDAAMO O=S(=O)(Cc1ccon1)N1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000585080115 943756710 /nfs/dbraw/zinc/75/67/10/943756710.db2.gz LHIVFEJCSKTWSX-ZDUSSCGKSA-N 1 1 363.430 1.948 50 0 FDAAMO CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+](CCOC)C2)cc1Cl ZINC000952862778 960196431 /nfs/dbraw/zinc/19/64/31/960196431.db2.gz QKUHJOKRVLEUGA-GFCCVEGCSA-N 1 1 353.850 1.997 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](COc3ccccc3)C2)C1 ZINC000952963655 960246231 /nfs/dbraw/zinc/24/62/31/960246231.db2.gz LKWVWRWWZUPHDU-IAGOWNOFSA-N 1 1 359.470 1.501 50 0 FDAAMO CC(C)c1noc([C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952964781 960248646 /nfs/dbraw/zinc/24/86/46/960248646.db2.gz QJUUULXFQONQHK-UONOGXRCSA-N 1 1 363.462 1.444 50 0 FDAAMO CC(C)c1noc([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000952964781 960248657 /nfs/dbraw/zinc/24/86/57/960248657.db2.gz QJUUULXFQONQHK-UONOGXRCSA-N 1 1 363.462 1.444 50 0 FDAAMO CCN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952969914 960262695 /nfs/dbraw/zinc/26/26/95/960262695.db2.gz BARSEXWVUVSWQG-CQSZACIVSA-N 1 1 351.422 1.250 50 0 FDAAMO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1ccccc1Cl ZINC000952974047 960268379 /nfs/dbraw/zinc/26/83/79/960268379.db2.gz CGLFVECBETUDJD-XJKSGUPXSA-N 1 1 366.893 1.256 50 0 FDAAMO COc1ccc(-c2nnc(C)o2)cc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000952966930 960282020 /nfs/dbraw/zinc/28/20/20/960282020.db2.gz HKEIICGMOYZDKV-LBPRGKRZSA-N 1 1 359.430 1.628 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)[C@@H](C)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000952967694 960282349 /nfs/dbraw/zinc/28/23/49/960282349.db2.gz LQRJJZKFCXALFM-HNNXBMFYSA-N 1 1 371.485 1.583 50 0 FDAAMO CC(C)C[N@H+]1CCN(C2CCN(C(=O)C3CCC3)CC2)C[C@H]1CCO ZINC000952968567 960284123 /nfs/dbraw/zinc/28/41/23/960284123.db2.gz MGWRHIIZHIXVQE-LJQANCHMSA-N 1 1 351.535 1.802 50 0 FDAAMO CC(C)CN1CC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@H]1CCO ZINC000952968567 960284130 /nfs/dbraw/zinc/28/41/30/960284130.db2.gz MGWRHIIZHIXVQE-LJQANCHMSA-N 1 1 351.535 1.802 50 0 FDAAMO CC(C)CN1CC[N@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@H]1CCO ZINC000952968567 960284134 /nfs/dbraw/zinc/28/41/34/960284134.db2.gz MGWRHIIZHIXVQE-LJQANCHMSA-N 1 1 351.535 1.802 50 0 FDAAMO Cc1cc(N2CCN(C(=O)CC[C@@H]3CCC[N@H+](C)C3)CC2)n2ncnc2n1 ZINC000095353479 1013802698 /nfs/dbraw/zinc/80/26/98/1013802698.db2.gz HVDKTERWFRWYFJ-INIZCTEOSA-N 1 1 371.489 1.203 50 0 FDAAMO O=S(=O)(c1cncc(Br)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266185163 179545536 /nfs/dbraw/zinc/54/55/36/179545536.db2.gz LWISBJBOQZAKFP-LBPRGKRZSA-N 1 1 358.261 1.479 50 0 FDAAMO CCCc1cc(N2CC[NH2+][C@@H](C(=O)NCc3ccccn3)C2)nc(C)n1 ZINC000072145316 535398746 /nfs/dbraw/zinc/39/87/46/535398746.db2.gz DLQJHPYEVHBTLE-QGZVFWFLSA-N 1 1 354.458 1.227 50 0 FDAAMO CC[N@@H+](C)C[C@H](C)CNC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000534634832 540392549 /nfs/dbraw/zinc/39/25/49/540392549.db2.gz VOSBQCFGTXJLOS-OAHLLOKOSA-N 1 1 364.465 1.767 50 0 FDAAMO Cc1nnc([C@H]2CCCN(C(=O)NCC3(C[NH+]4CCOCC4)CC3)C2)[nH]1 ZINC000534631842 540391718 /nfs/dbraw/zinc/39/17/18/540391718.db2.gz ICDYPLIQWYBRQG-HNNXBMFYSA-N 1 1 362.478 1.115 50 0 FDAAMO CNc1cc(-c2cccc(C(=O)N3CCC4(CCO4)CC3)c2)[nH+]c(N)n1 ZINC000534664664 540397212 /nfs/dbraw/zinc/39/72/12/540397212.db2.gz NNGJJQNLOLXYBX-UHFFFAOYSA-N 1 1 353.426 1.585 50 0 FDAAMO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1Cl ZINC000299800024 223104316 /nfs/dbraw/zinc/10/43/16/223104316.db2.gz UQRBPYYZGZOFOI-CHWSQXEVSA-N 1 1 371.840 1.041 50 0 FDAAMO Cc1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1Cl ZINC000299800024 223104318 /nfs/dbraw/zinc/10/43/18/223104318.db2.gz UQRBPYYZGZOFOI-CHWSQXEVSA-N 1 1 371.840 1.041 50 0 FDAAMO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2)n(C)c1=O ZINC000010386906 204019639 /nfs/dbraw/zinc/01/96/39/204019639.db2.gz TYRKSKZSAXCKHI-UHFFFAOYSA-N 1 1 352.398 1.313 50 0 FDAAMO CC[N@H+](CC(=O)NC(C)(C)C)C[C@H](O)COCc1ccccc1OC ZINC000002624918 204046712 /nfs/dbraw/zinc/04/67/12/204046712.db2.gz YTOKDZGMHOHEDN-INIZCTEOSA-N 1 1 352.475 1.809 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000004076048 204119521 /nfs/dbraw/zinc/11/95/21/204119521.db2.gz HFHODISSPBCMBX-QGZVFWFLSA-N 1 1 367.515 1.296 50 0 FDAAMO CCCC[N@@H+](C)CCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O ZINC000004712545 204158199 /nfs/dbraw/zinc/15/81/99/204158199.db2.gz WNKYQXJSRBHQAV-UHFFFAOYSA-N 1 1 374.485 1.870 50 0 FDAAMO Cc1ccccc1CN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005147953 204194634 /nfs/dbraw/zinc/19/46/34/204194634.db2.gz LGVRCZPTDUVEMN-UHFFFAOYSA-N 1 1 352.398 1.138 50 0 FDAAMO COCCN1C(=O)C[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC000008919948 204348753 /nfs/dbraw/zinc/34/87/53/204348753.db2.gz WEVAKURTHRBUGP-OAHLLOKOSA-N 1 1 357.410 1.781 50 0 FDAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000009513883 204371878 /nfs/dbraw/zinc/37/18/78/204371878.db2.gz POLRSWCWPQNOOX-SJORKVTESA-N 1 1 351.443 1.618 50 0 FDAAMO C[NH+]1CCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000014000164 204560990 /nfs/dbraw/zinc/56/09/90/204560990.db2.gz VPTZKUZIDXRCSF-UHFFFAOYSA-N 1 1 357.451 1.146 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)nc3cc(F)ccc32)CC1 ZINC000025236208 204832515 /nfs/dbraw/zinc/83/25/15/204832515.db2.gz VSOZRBZMSRGXGO-UHFFFAOYSA-N 1 1 358.417 1.623 50 0 FDAAMO C[C@H](C[NH+]1CCOCC1)C(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000033327079 204966560 /nfs/dbraw/zinc/96/65/60/204966560.db2.gz LPKMRVSHCPZGGD-LALPHHSUSA-N 1 1 363.380 1.594 50 0 FDAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COC(C)C)cc1 ZINC000036101694 205004751 /nfs/dbraw/zinc/00/47/51/205004751.db2.gz VUJDXJHDOCYYJJ-HXUWFJFHSA-N 1 1 350.503 1.915 50 0 FDAAMO CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C[C@@H](O)COC ZINC000036159934 205006411 /nfs/dbraw/zinc/00/64/11/205006411.db2.gz OLFPKQNAGSAQOH-LLVKDONJSA-N 1 1 351.472 1.693 50 0 FDAAMO CCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C[C@@H](O)COC ZINC000036159934 205006414 /nfs/dbraw/zinc/00/64/14/205006414.db2.gz OLFPKQNAGSAQOH-LLVKDONJSA-N 1 1 351.472 1.693 50 0 FDAAMO CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000058140114 205251133 /nfs/dbraw/zinc/25/11/33/205251133.db2.gz RGHXVHQOLPMANP-UHFFFAOYSA-N 1 1 367.515 1.883 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000058181026 205255687 /nfs/dbraw/zinc/25/56/87/205255687.db2.gz HLSHVBALHIEWBR-LLVKDONJSA-N 1 1 352.460 1.177 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000058210882 205262082 /nfs/dbraw/zinc/26/20/82/205262082.db2.gz JBKPIXDTXOFDNL-UHFFFAOYSA-N 1 1 362.377 1.373 50 0 FDAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)C[C@@H](C)O1 ZINC000058229440 205265418 /nfs/dbraw/zinc/26/54/18/205265418.db2.gz OQOCMGYSRWNGOM-JEWRLFTDSA-N 1 1 360.454 1.927 50 0 FDAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000058298442 205270500 /nfs/dbraw/zinc/27/05/00/205270500.db2.gz DDRPTEKVHQQNDO-LSDHHAIUSA-N 1 1 356.470 1.942 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000060906296 205285243 /nfs/dbraw/zinc/28/52/43/205285243.db2.gz OWKYXWLLWCZLIN-UHFFFAOYSA-N 1 1 357.458 1.436 50 0 FDAAMO Cn1c2c(C(=O)NCCC3=CCCCC3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836206 205305631 /nfs/dbraw/zinc/30/56/31/205305631.db2.gz OGJCTFIYMJVYOX-UHFFFAOYSA-N 1 1 369.469 1.641 50 0 FDAAMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)nn1 ZINC000065424514 205349919 /nfs/dbraw/zinc/34/99/19/205349919.db2.gz WDHIVISZJDTEKI-INIZCTEOSA-N 1 1 353.426 1.735 50 0 FDAAMO CCNc1cc(NCCNS(=O)(=O)c2ccc(F)cc2)[nH+]c(C)n1 ZINC000065365778 205340132 /nfs/dbraw/zinc/34/01/32/205340132.db2.gz RLOVIMRNQLFRLL-UHFFFAOYSA-N 1 1 353.423 1.746 50 0 FDAAMO OC1CCN(c2ccnc(-c3ccccc3C[NH+]3CCOCC3)n2)CC1 ZINC000065394975 205345217 /nfs/dbraw/zinc/34/52/17/205345217.db2.gz UYJQECFTHOKBCV-UHFFFAOYSA-N 1 1 354.454 1.937 50 0 FDAAMO CCc1cn[nH]c1C1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000067446550 205371246 /nfs/dbraw/zinc/37/12/46/205371246.db2.gz UVPREUHCGVJNMZ-AWEZNQCLSA-N 1 1 371.489 1.583 50 0 FDAAMO O=C(c1ccc(N[C@H]2CCC[NH2+]C2)nc1)N1CCC(N2CCOCC2)CC1 ZINC000067603573 205376247 /nfs/dbraw/zinc/37/62/47/205376247.db2.gz DCODPNQTQBSKOZ-KRWDZBQOSA-N 1 1 373.501 1.182 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067642392 205377943 /nfs/dbraw/zinc/37/79/43/205377943.db2.gz NSRIYBRWGWCREH-WMZOPIPTSA-N 1 1 368.441 1.257 50 0 FDAAMO Cc1cccc2cc(C(=O)N3CCC4(CC3)[NH2+]CCNC4=O)c(C)nc12 ZINC000067654219 205379519 /nfs/dbraw/zinc/37/95/19/205379519.db2.gz QOQJYJXQTUDJTP-UHFFFAOYSA-N 1 1 352.438 1.546 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCOCC1 ZINC000067743173 205389216 /nfs/dbraw/zinc/38/92/16/205389216.db2.gz VIWYBQDBBZAPCD-IBGZPJMESA-N 1 1 372.513 1.617 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000067805808 205392381 /nfs/dbraw/zinc/39/23/81/205392381.db2.gz PIGKJVIBIRZAOC-HNNXBMFYSA-N 1 1 367.457 1.562 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000067805808 205392386 /nfs/dbraw/zinc/39/23/86/205392386.db2.gz PIGKJVIBIRZAOC-HNNXBMFYSA-N 1 1 367.457 1.562 50 0 FDAAMO CN(Cc1ccon1)c1nc(N)[nH+]c2c1CCN(c1nccs1)CC2 ZINC000072422358 205540064 /nfs/dbraw/zinc/54/00/64/205540064.db2.gz FUHDTAAZJBKGAN-UHFFFAOYSA-N 1 1 357.443 1.745 50 0 FDAAMO Cc1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n[nH]1 ZINC000072477465 205562426 /nfs/dbraw/zinc/56/24/26/205562426.db2.gz NJDKIROARJDMHK-QGZVFWFLSA-N 1 1 363.506 1.100 50 0 FDAAMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000106762940 206016203 /nfs/dbraw/zinc/01/62/03/206016203.db2.gz JHPKCXRGBNHINM-SZMVWBNQSA-N 1 1 354.454 1.741 50 0 FDAAMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000106762940 206016207 /nfs/dbraw/zinc/01/62/07/206016207.db2.gz JHPKCXRGBNHINM-SZMVWBNQSA-N 1 1 354.454 1.741 50 0 FDAAMO Cc1nnsc1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000107401628 206244583 /nfs/dbraw/zinc/24/45/83/206244583.db2.gz WUUOHNILEZYZAN-GOSISDBHSA-N 1 1 363.531 1.755 50 0 FDAAMO NS(=O)(=O)c1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172651821 206283161 /nfs/dbraw/zinc/28/31/61/206283161.db2.gz NKXSLQBTWOEDNU-UHFFFAOYSA-N 1 1 366.487 1.816 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014199262 206308866 /nfs/dbraw/zinc/30/88/66/206308866.db2.gz FBUXQLOECCHKRZ-MRXNPFEDSA-N 1 1 362.433 1.856 50 0 FDAAMO Cc1c(Cl)c(C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)nn1C ZINC000215345246 206345911 /nfs/dbraw/zinc/34/59/11/206345911.db2.gz BLKCHDZLEZQIAO-UHFFFAOYSA-N 1 1 353.898 1.672 50 0 FDAAMO COc1ccc([C@@H](O)C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000215537859 206348457 /nfs/dbraw/zinc/34/84/57/206348457.db2.gz FBFRFSHQXQDINR-LJQANCHMSA-N 1 1 355.438 1.858 50 0 FDAAMO COc1ccc([C@@H](O)C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000215537859 206348461 /nfs/dbraw/zinc/34/84/61/206348461.db2.gz FBFRFSHQXQDINR-LJQANCHMSA-N 1 1 355.438 1.858 50 0 FDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000022510911 206377438 /nfs/dbraw/zinc/37/74/38/206377438.db2.gz GLWSJFPETSQTIC-HNNXBMFYSA-N 1 1 365.474 1.895 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCN(C(=O)COC)CC1 ZINC000219649791 206388390 /nfs/dbraw/zinc/38/83/90/206388390.db2.gz ZXBYLPGPXZHTTI-SFHVURJKSA-N 1 1 359.470 1.141 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCN(C(=O)COC)CC1 ZINC000219649791 206388393 /nfs/dbraw/zinc/38/83/93/206388393.db2.gz ZXBYLPGPXZHTTI-SFHVURJKSA-N 1 1 359.470 1.141 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000219751821 206389627 /nfs/dbraw/zinc/38/96/27/206389627.db2.gz YIFNKCNODKREHC-IAGOWNOFSA-N 1 1 358.442 1.721 50 0 FDAAMO Nc1cc[nH+]c(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)n1 ZINC000077356182 132182081 /nfs/dbraw/zinc/18/20/81/132182081.db2.gz WBPJSGWWQBKGSI-UHFFFAOYSA-N 1 1 368.489 1.965 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1Cc2ccccc2[C@H](O)C1 ZINC000082087065 132193985 /nfs/dbraw/zinc/19/39/85/132193985.db2.gz DHEWFBLNAWZYHH-GOSISDBHSA-N 1 1 367.453 1.226 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2ncnc4[nH]ccc42)CC3)C1 ZINC000091574675 132202378 /nfs/dbraw/zinc/20/23/78/132202378.db2.gz IPFRKZZYKSHLFZ-OAHLLOKOSA-N 1 1 368.485 1.871 50 0 FDAAMO Nc1nc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)cc[nH+]1 ZINC000091770464 132203609 /nfs/dbraw/zinc/20/36/09/132203609.db2.gz CKZNSTRULWADPG-UHFFFAOYSA-N 1 1 367.457 1.462 50 0 FDAAMO CC(C)C[C@@H](O)C1CCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)CC1 ZINC000095515250 132213559 /nfs/dbraw/zinc/21/35/59/132213559.db2.gz UVAAROKEJQHBPE-MRXNPFEDSA-N 1 1 362.522 1.434 50 0 FDAAMO CCC(=O)N1CCc2[nH]cnc2C12CCN(c1nc(NC)cc[nH+]1)CC2 ZINC000095529124 132214912 /nfs/dbraw/zinc/21/49/12/132214912.db2.gz WXAPPVYWHDLIBP-UHFFFAOYSA-N 1 1 355.446 1.532 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@]2(CCCO2)CC1 ZINC000097532474 132229750 /nfs/dbraw/zinc/22/97/50/132229750.db2.gz WZNUNPCBDVYQSC-FQEVSTJZSA-N 1 1 373.501 1.712 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(c3ccnc(N)n3)C[C@H]2CCO)cc1 ZINC000106957946 132265873 /nfs/dbraw/zinc/26/58/73/132265873.db2.gz PCMSWLKIBWWJET-MRXNPFEDSA-N 1 1 357.458 1.531 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(c3ccnc(N)n3)C[C@H]2CCO)cc1 ZINC000106957946 132265876 /nfs/dbraw/zinc/26/58/76/132265876.db2.gz PCMSWLKIBWWJET-MRXNPFEDSA-N 1 1 357.458 1.531 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@@H](C[NH+]1CCN(c3ccc4nccn4n3)CC1)O2 ZINC000244887874 132291662 /nfs/dbraw/zinc/29/16/62/132291662.db2.gz YPXQVTSCMYBDPL-HNNXBMFYSA-N 1 1 365.441 1.262 50 0 FDAAMO O=C(Cn1cccn1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055281039 136126399 /nfs/dbraw/zinc/12/63/99/136126399.db2.gz RSIHQHJNACHSKT-KRWDZBQOSA-N 1 1 371.460 1.835 50 0 FDAAMO Cc1cc2c(c(-c3cc(N4CCN(C)CC4)nc(N)n3)c1)O[C@H](C[NH3+])C2 ZINC000067641929 136137273 /nfs/dbraw/zinc/13/72/73/136137273.db2.gz LMDHUJLJKNXVNA-AWEZNQCLSA-N 1 1 354.458 1.048 50 0 FDAAMO NC(=O)c1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071748743 136140040 /nfs/dbraw/zinc/14/00/40/136140040.db2.gz ZRFRQRUOPGSPII-HNNXBMFYSA-N 1 1 371.485 1.140 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nccc(C)n3)CC2)C1 ZINC000071753088 136140319 /nfs/dbraw/zinc/14/03/19/136140319.db2.gz AHEIEXRUAPDRRR-INIZCTEOSA-N 1 1 361.490 1.228 50 0 FDAAMO CNC(=O)CC[N@H+]1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072146942 136142652 /nfs/dbraw/zinc/14/26/52/136142652.db2.gz PTJNFGPHLABJML-QGZVFWFLSA-N 1 1 360.502 1.418 50 0 FDAAMO O=C(c1ccc(F)cc1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437095 136147427 /nfs/dbraw/zinc/14/74/27/136147427.db2.gz YJUMCDRQNINBLQ-UHFFFAOYSA-N 1 1 371.416 1.415 50 0 FDAAMO O=S(=O)(c1ccccc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000072437144 136147576 /nfs/dbraw/zinc/14/75/76/136147576.db2.gz WBRGYQQOVLANBH-UHFFFAOYSA-N 1 1 373.482 1.588 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000072462572 136148660 /nfs/dbraw/zinc/14/86/60/136148660.db2.gz GMBXDHBLMYBULI-CQSZACIVSA-N 1 1 356.478 1.557 50 0 FDAAMO C[NH+]1CCN(c2cc(NC(=O)c3ccc4nsnc4c3)ncn2)CC1 ZINC000075166223 136150175 /nfs/dbraw/zinc/15/01/75/136150175.db2.gz UOCNAYMQUCPMEE-UHFFFAOYSA-N 1 1 355.427 1.485 50 0 FDAAMO C[N@@H+](CCO)[C@@H]1c2ccccc2C2(CCN(c3cnccn3)CC2)[C@H]1O ZINC000023214571 136152430 /nfs/dbraw/zinc/15/24/30/136152430.db2.gz PXOZZASUDRXRFZ-MOPGFXCFSA-N 1 1 354.454 1.355 50 0 FDAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(c2ncccn2)CC1 ZINC000007789570 518435320 /nfs/dbraw/zinc/43/53/20/518435320.db2.gz GDGALUOIYXSWOZ-UHFFFAOYSA-N 1 1 369.444 1.929 50 0 FDAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N1CCN(c2ncccn2)CC1 ZINC000007789570 518435330 /nfs/dbraw/zinc/43/53/30/518435330.db2.gz GDGALUOIYXSWOZ-UHFFFAOYSA-N 1 1 369.444 1.929 50 0 FDAAMO Cc1ccc2c(C[NH+]3CCC(NS(C)(=O)=O)CC3)cc(=O)oc2c1C ZINC000011104347 518551029 /nfs/dbraw/zinc/55/10/29/518551029.db2.gz NZGPKTBTOIAUIN-UHFFFAOYSA-N 1 1 364.467 1.923 50 0 FDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)[NH+](C)C ZINC000011898906 518577518 /nfs/dbraw/zinc/57/75/18/518577518.db2.gz PPFOKTDANACUCY-CQSZACIVSA-N 1 1 358.398 1.111 50 0 FDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)[NH+]1CCCC1 ZINC000011898237 518577616 /nfs/dbraw/zinc/57/76/16/518577616.db2.gz TVPKATQTRFZMMO-MRXNPFEDSA-N 1 1 360.483 1.656 50 0 FDAAMO CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000011935930 518578992 /nfs/dbraw/zinc/57/89/92/518578992.db2.gz RSQADWMQOVNOLK-MRXNPFEDSA-N 1 1 361.490 1.290 50 0 FDAAMO CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000011935930 518578994 /nfs/dbraw/zinc/57/89/94/518578994.db2.gz RSQADWMQOVNOLK-MRXNPFEDSA-N 1 1 361.490 1.290 50 0 FDAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(C2CSCCSC2)C[C@H]1O ZINC000011933149 518579456 /nfs/dbraw/zinc/57/94/56/518579456.db2.gz GFJDASSIQCNSKT-QZTJIDSGSA-N 1 1 367.584 1.840 50 0 FDAAMO CN(CCc1ccccn1)[C@@H]1CC[N@@H+](C2CSCCSC2)C[C@H]1O ZINC000011933149 518579465 /nfs/dbraw/zinc/57/94/65/518579465.db2.gz GFJDASSIQCNSKT-QZTJIDSGSA-N 1 1 367.584 1.840 50 0 FDAAMO CN(CCc1ccccn1)[C@@H]1CC[N@H+](C2CSCCSC2)C[C@H]1O ZINC000011933149 518579476 /nfs/dbraw/zinc/57/94/76/518579476.db2.gz GFJDASSIQCNSKT-QZTJIDSGSA-N 1 1 367.584 1.840 50 0 FDAAMO CNC(=O)C1CC[NH+](CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000012783748 518635620 /nfs/dbraw/zinc/63/56/20/518635620.db2.gz YCVBDJBZOIXYIC-UHFFFAOYSA-N 1 1 374.485 1.125 50 0 FDAAMO Cc1cc(=O)n2nc(NC[C@@H](CC(C)C)[NH+]3CCOCC3)sc2n1 ZINC000012886018 518640805 /nfs/dbraw/zinc/64/08/05/518640805.db2.gz ZUDVYIXUWSQIOC-CYBMUJFWSA-N 1 1 351.476 1.618 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014122486 518676296 /nfs/dbraw/zinc/67/62/96/518676296.db2.gz WOVFTIOTLGADAE-UHFFFAOYSA-N 1 1 365.455 1.602 50 0 FDAAMO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1nccs1)CC2 ZINC000014754668 518698069 /nfs/dbraw/zinc/69/80/69/518698069.db2.gz UWKYEXYWOFDOBQ-UHFFFAOYSA-N 1 1 371.466 1.967 50 0 FDAAMO O=C(NCCCO)c1cn([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)nn1 ZINC000014989759 518705494 /nfs/dbraw/zinc/70/54/94/518705494.db2.gz BNGIJQKJUAWCPO-GOSISDBHSA-N 1 1 371.485 1.660 50 0 FDAAMO Cc1nnc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)[nH]1 ZINC000015075281 518706915 /nfs/dbraw/zinc/70/69/15/518706915.db2.gz ZZFAXRBQDQVNIG-QGZVFWFLSA-N 1 1 365.384 1.035 50 0 FDAAMO CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](CCO)CC3)c2c1C ZINC000015209332 518712401 /nfs/dbraw/zinc/71/24/01/518712401.db2.gz UFHYKFPYDTVBRF-UHFFFAOYSA-N 1 1 364.471 1.599 50 0 FDAAMO CC(C)Cn1c(CN(C)C[C@@H]2CCCC[N@@H+]2C)cnc1S(C)(=O)=O ZINC000019641342 518823220 /nfs/dbraw/zinc/82/32/20/518823220.db2.gz AFGYEEFSQNDVRF-HNNXBMFYSA-N 1 1 356.536 1.859 50 0 FDAAMO CC(C)Cn1c(CN(C)C[C@@H]2CCCC[N@H+]2C)cnc1S(C)(=O)=O ZINC000019641342 518823224 /nfs/dbraw/zinc/82/32/24/518823224.db2.gz AFGYEEFSQNDVRF-HNNXBMFYSA-N 1 1 356.536 1.859 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000019868923 518838836 /nfs/dbraw/zinc/83/88/36/518838836.db2.gz VPTGBAXXZLJUTH-UHFFFAOYSA-N 1 1 365.499 1.170 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)n1 ZINC000020207477 518844818 /nfs/dbraw/zinc/84/48/18/518844818.db2.gz MNJVCILTCMDRGI-HNNXBMFYSA-N 1 1 356.474 1.873 50 0 FDAAMO O[C@H]1C[N@H+](C2Cc3ccccc3C2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020206942 518845140 /nfs/dbraw/zinc/84/51/40/518845140.db2.gz XIFWKQQKWPPZEE-SFTDATJTSA-N 1 1 364.493 1.416 50 0 FDAAMO CCC[N@@H+]1CCc2c(sc3c2c(NCCCOC)nc2nnnn23)C1 ZINC000020503711 518851012 /nfs/dbraw/zinc/85/10/12/518851012.db2.gz RATBDGXCIQMOPQ-UHFFFAOYSA-N 1 1 361.475 1.951 50 0 FDAAMO CCC[N@H+]1CCc2c(sc3c2c(NCCCOC)nc2nnnn23)C1 ZINC000020503711 518851017 /nfs/dbraw/zinc/85/10/17/518851017.db2.gz RATBDGXCIQMOPQ-UHFFFAOYSA-N 1 1 361.475 1.951 50 0 FDAAMO OCC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(F)c(F)c2)CC1 ZINC000020591777 518852544 /nfs/dbraw/zinc/85/25/44/518852544.db2.gz FPOAYVMMFHFLNL-UHFFFAOYSA-N 1 1 360.368 1.208 50 0 FDAAMO Cc1noc2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c12 ZINC000020575142 518853882 /nfs/dbraw/zinc/85/38/82/518853882.db2.gz NWGYPGVQDBELMR-UHFFFAOYSA-N 1 1 353.382 1.977 50 0 FDAAMO O=C(CC[NH+]1CCN(CC(F)(F)F)CC1)NC(=O)NCc1ccccc1 ZINC000022916397 518921960 /nfs/dbraw/zinc/92/19/60/518921960.db2.gz OZHVQYYYFRGFPO-UHFFFAOYSA-N 1 1 372.391 1.582 50 0 FDAAMO CNC(=O)NC(=O)[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000023717886 518962446 /nfs/dbraw/zinc/96/24/46/518962446.db2.gz GXDSCCPRBKSWLV-YOEHRIQHSA-N 1 1 355.394 1.613 50 0 FDAAMO O=c1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2ccccn12 ZINC000025139115 519040421 /nfs/dbraw/zinc/04/04/21/519040421.db2.gz OLIHFHAFAZLZNY-UHFFFAOYSA-N 1 1 364.405 1.745 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000025175583 519042727 /nfs/dbraw/zinc/04/27/27/519042727.db2.gz DQCMJCCTEDHSEC-UHFFFAOYSA-N 1 1 373.453 1.782 50 0 FDAAMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1cc[nH+]c1C ZINC000029937758 519334042 /nfs/dbraw/zinc/33/40/42/519334042.db2.gz MAZRBRLXTVEUSZ-UHFFFAOYSA-N 1 1 352.416 1.089 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000030030002 519344945 /nfs/dbraw/zinc/34/49/45/519344945.db2.gz MJLBFBMRULYOLH-LJQANCHMSA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000030030002 519344951 /nfs/dbraw/zinc/34/49/51/519344951.db2.gz MJLBFBMRULYOLH-LJQANCHMSA-N 1 1 362.433 1.912 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000032899224 519547685 /nfs/dbraw/zinc/54/76/85/519547685.db2.gz RVAHHKKNRVRCNT-TXEJJXNPSA-N 1 1 351.447 1.647 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)CSc2ccc(F)cc2)CC1 ZINC000032912922 519549264 /nfs/dbraw/zinc/54/92/64/519549264.db2.gz JWUAKCRATORPIK-MRXNPFEDSA-N 1 1 365.474 1.683 50 0 FDAAMO C[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000032930001 519555034 /nfs/dbraw/zinc/55/50/34/519555034.db2.gz IVAJEGSPIARLBA-INIZCTEOSA-N 1 1 364.449 1.901 50 0 FDAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1c2ccccc2CCCC1=O ZINC000033249643 519583147 /nfs/dbraw/zinc/58/31/47/519583147.db2.gz ASFGCFPNMMYCFW-INIZCTEOSA-N 1 1 359.470 1.583 50 0 FDAAMO Cc1cc(C)cc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000034917994 519599191 /nfs/dbraw/zinc/59/91/91/519599191.db2.gz XGVMIYBEZSVEDV-QGZVFWFLSA-N 1 1 359.470 1.495 50 0 FDAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000036386875 519620962 /nfs/dbraw/zinc/62/09/62/519620962.db2.gz MDALPEDVXQVOEX-MNOVXSKESA-N 1 1 362.455 1.136 50 0 FDAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]1c1cccs1 ZINC000036386875 519620967 /nfs/dbraw/zinc/62/09/67/519620967.db2.gz MDALPEDVXQVOEX-MNOVXSKESA-N 1 1 362.455 1.136 50 0 FDAAMO CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000040087455 519640013 /nfs/dbraw/zinc/64/00/13/519640013.db2.gz HPEYLKQBQMYXQL-YRNRMSPPSA-N 1 1 373.497 1.923 50 0 FDAAMO CCN(CC)C(=O)C(=O)N[C@@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287641 520438723 /nfs/dbraw/zinc/43/87/23/520438723.db2.gz FBHHSMPDVJKVQG-GOEBONIOSA-N 1 1 366.531 1.410 50 0 FDAAMO CC[NH+](CC)CCCNC(C)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000020326052 520596716 /nfs/dbraw/zinc/59/67/16/520596716.db2.gz HEUCOGZUGAIPSL-BMRADRMJSA-N 1 1 372.469 1.861 50 0 FDAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCSC)c2)CC1 ZINC000019792427 521685332 /nfs/dbraw/zinc/68/53/32/521685332.db2.gz QFDQELONMODSHH-GOSISDBHSA-N 1 1 367.559 1.516 50 0 FDAAMO COc1ccc(OC[C@H](O)C[N@H+](C)CC(=O)NCC(F)(F)F)cc1 ZINC000069927392 521978469 /nfs/dbraw/zinc/97/84/69/521978469.db2.gz DHFBGUZDAAQTDF-LLVKDONJSA-N 1 1 350.337 1.045 50 0 FDAAMO COc1ccc(OC[C@H](O)C[N@@H+](C)CC(=O)NCC(F)(F)F)cc1 ZINC000069927392 521978479 /nfs/dbraw/zinc/97/84/79/521978479.db2.gz DHFBGUZDAAQTDF-LLVKDONJSA-N 1 1 350.337 1.045 50 0 FDAAMO O=C(c1nc2ccccn2c1CN1CC[N@H+]2CCC[C@@H]2C1)N1CCOCC1 ZINC000071422125 522114055 /nfs/dbraw/zinc/11/40/55/522114055.db2.gz OLQORZBXBFQHHR-MRXNPFEDSA-N 1 1 369.469 1.087 50 0 FDAAMO Cn1ccnc1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071746050 522121727 /nfs/dbraw/zinc/12/17/27/522121727.db2.gz YQLFGOMBXVZHNT-KRWDZBQOSA-N 1 1 359.518 1.719 50 0 FDAAMO NC(=O)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071761326 522129140 /nfs/dbraw/zinc/12/91/40/522129140.db2.gz RQEIKOBGTKXCLU-SFHVURJKSA-N 1 1 372.513 1.355 50 0 FDAAMO CCCN(CCOC)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000072143517 522166608 /nfs/dbraw/zinc/16/66/08/522166608.db2.gz MWUHPBMXHGLIIA-LJQANCHMSA-N 1 1 373.497 1.229 50 0 FDAAMO CCCN(CCOC)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000072143517 522166614 /nfs/dbraw/zinc/16/66/14/522166614.db2.gz MWUHPBMXHGLIIA-LJQANCHMSA-N 1 1 373.497 1.229 50 0 FDAAMO Cc1c2ccc(C)cc2oc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072145266 522170667 /nfs/dbraw/zinc/17/06/67/522170667.db2.gz BKXVVZQVWMJOIB-INIZCTEOSA-N 1 1 371.437 1.322 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000072149727 522176655 /nfs/dbraw/zinc/17/66/55/522176655.db2.gz XACGADMNCTUZQY-MRXNPFEDSA-N 1 1 371.481 1.857 50 0 FDAAMO Cc1ncc(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072162531 522188318 /nfs/dbraw/zinc/18/83/18/522188318.db2.gz OKJAOMUWEKOIMQ-KRWDZBQOSA-N 1 1 354.454 1.857 50 0 FDAAMO CCC[N@H+]1CC[C@H]2N(Cc3cc(=O)c(OC)co3)CCC[C@]2(CO)C1 ZINC000072165984 522191948 /nfs/dbraw/zinc/19/19/48/522191948.db2.gz CLQHUSAAFQONCI-RTBURBONSA-N 1 1 350.459 1.707 50 0 FDAAMO O=C(NCc1ccccn1)[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000072166053 522192538 /nfs/dbraw/zinc/19/25/38/522192538.db2.gz GAXGQLCUPQKISG-INIZCTEOSA-N 1 1 364.409 1.226 50 0 FDAAMO CC(C)c1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)cs1 ZINC000072166379 522195294 /nfs/dbraw/zinc/19/52/94/522195294.db2.gz XDKAJXTUPXXVFS-CQSZACIVSA-N 1 1 351.472 1.144 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2ncc3c(n2)CCC3)[nH]1 ZINC000072169132 522197931 /nfs/dbraw/zinc/19/79/31/522197931.db2.gz VWXJMSXTBOUDJA-GJZGRUSLSA-N 1 1 368.485 1.521 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072410543 522241525 /nfs/dbraw/zinc/24/15/25/522241525.db2.gz DGPXPEOREWHTCE-MRXNPFEDSA-N 1 1 353.444 1.011 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072410543 522241536 /nfs/dbraw/zinc/24/15/36/522241536.db2.gz DGPXPEOREWHTCE-MRXNPFEDSA-N 1 1 353.444 1.011 50 0 FDAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072425083 522259897 /nfs/dbraw/zinc/25/98/97/522259897.db2.gz AMSSLNBFHSFTJP-ZLHKHBAESA-N 1 1 351.454 1.454 50 0 FDAAMO O=C(NCCc1csc(-c2cccnc2)n1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072438556 522277329 /nfs/dbraw/zinc/27/73/29/522277329.db2.gz GQXCRKHCZMDERZ-OAHLLOKOSA-N 1 1 354.439 1.474 50 0 FDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000089943506 522554880 /nfs/dbraw/zinc/55/48/80/522554880.db2.gz DSFBKIHXWOWFMT-OCCSQVGLSA-N 1 1 363.483 1.648 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cn2ccnc(-c3ccccc3)c2n1 ZINC000065274334 522799850 /nfs/dbraw/zinc/79/98/50/522799850.db2.gz FLSFFGWFNVCLKW-UHFFFAOYSA-N 1 1 365.437 1.848 50 0 FDAAMO CN(C)c1[nH+]cnc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1N ZINC000075103622 522878713 /nfs/dbraw/zinc/87/87/13/522878713.db2.gz NGJLJFPAKDQDDX-OAHLLOKOSA-N 1 1 360.437 1.749 50 0 FDAAMO O=C(Cn1nnc(-c2ccco2)n1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000075507846 522926531 /nfs/dbraw/zinc/92/65/31/522926531.db2.gz ZSIQMJGXBWNIDL-UHFFFAOYSA-N 1 1 374.445 1.084 50 0 FDAAMO O=C1CC[C@]2(CCC[N@H+](CCOCCO)C2)CN1CCc1ccccn1 ZINC000077453965 523345329 /nfs/dbraw/zinc/34/53/29/523345329.db2.gz FBNXWWLJJNOPEJ-FQEVSTJZSA-N 1 1 361.486 1.338 50 0 FDAAMO Cc1nnnn1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077488394 523360087 /nfs/dbraw/zinc/36/00/87/523360087.db2.gz FHCMZLRVEAAEJP-UHFFFAOYSA-N 1 1 356.474 1.539 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)NCC[N@@H+](C)CCc3ccccc3)cnc21 ZINC000077505941 523366017 /nfs/dbraw/zinc/36/60/17/523366017.db2.gz QCPZQGALMLSYON-UHFFFAOYSA-N 1 1 366.469 1.938 50 0 FDAAMO CCn1ccnc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091504556 523532686 /nfs/dbraw/zinc/53/26/86/523532686.db2.gz BTMBBUKBVFREHR-FQEVSTJZSA-N 1 1 359.518 1.812 50 0 FDAAMO C[NH+](C)C1(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)CCOCC1 ZINC000067885175 523620398 /nfs/dbraw/zinc/62/03/98/523620398.db2.gz CPLZQQASRRQMFY-IBGZPJMESA-N 1 1 355.523 1.086 50 0 FDAAMO CCNc1ncc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cn1 ZINC000067935335 523640245 /nfs/dbraw/zinc/64/02/45/523640245.db2.gz LXDDRXTUKWYQOT-JKSUJKDBSA-N 1 1 356.426 1.988 50 0 FDAAMO CCNc1ncc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cn1 ZINC000067935335 523640255 /nfs/dbraw/zinc/64/02/55/523640255.db2.gz LXDDRXTUKWYQOT-JKSUJKDBSA-N 1 1 356.426 1.988 50 0 FDAAMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC(=O)N(c2ccccn2)C1 ZINC000079097211 523702924 /nfs/dbraw/zinc/70/29/24/523702924.db2.gz JOTNENZJJGYLEA-SJORKVTESA-N 1 1 356.470 1.815 50 0 FDAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000079112062 523705597 /nfs/dbraw/zinc/70/55/97/523705597.db2.gz BTEDEYCNYSFVRE-UHFFFAOYSA-N 1 1 352.236 1.484 50 0 FDAAMO COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC000068353898 523767621 /nfs/dbraw/zinc/76/76/21/523767621.db2.gz WOUFGTJJVITCFV-HNNXBMFYSA-N 1 1 351.472 1.875 50 0 FDAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(CCOc2ccccc2)CC1 ZINC000121154393 524169002 /nfs/dbraw/zinc/16/90/02/524169002.db2.gz PISCXHNEAAWTAV-SFHVURJKSA-N 1 1 372.513 1.877 50 0 FDAAMO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cc1F ZINC000091486697 524259093 /nfs/dbraw/zinc/25/90/93/524259093.db2.gz FOIUJHGKCJMHQL-QZTJIDSGSA-N 1 1 365.493 1.237 50 0 FDAAMO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1F ZINC000091486697 524259101 /nfs/dbraw/zinc/25/91/01/524259101.db2.gz FOIUJHGKCJMHQL-QZTJIDSGSA-N 1 1 365.493 1.237 50 0 FDAAMO COc1ccccc1CCNC(=O)C[NH+]1CCC(c2nccn2C)CC1 ZINC000091657064 524412335 /nfs/dbraw/zinc/41/23/35/524412335.db2.gz DNYKOQYQWKTJJU-UHFFFAOYSA-N 1 1 356.470 1.967 50 0 FDAAMO CN1CC[C@@]2(CN(S(=O)(=O)c3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091288752 524689380 /nfs/dbraw/zinc/68/93/80/524689380.db2.gz ISOQUTDRAOUJSJ-QGZVFWFLSA-N 1 1 351.472 1.004 50 0 FDAAMO CN1CC[C@@]2(CN(S(=O)(=O)c3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091288752 524689384 /nfs/dbraw/zinc/68/93/84/524689384.db2.gz ISOQUTDRAOUJSJ-QGZVFWFLSA-N 1 1 351.472 1.004 50 0 FDAAMO CCCc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)o1 ZINC000091327123 524693655 /nfs/dbraw/zinc/69/36/55/524693655.db2.gz DBWZRFUCYNSWDW-RHSMWYFYSA-N 1 1 356.488 1.450 50 0 FDAAMO CCCc1ccc(C[N@H+]2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)o1 ZINC000091327123 524693665 /nfs/dbraw/zinc/69/36/65/524693665.db2.gz DBWZRFUCYNSWDW-RHSMWYFYSA-N 1 1 356.488 1.450 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCSc1ccccc1)C2 ZINC000091364615 524694480 /nfs/dbraw/zinc/69/44/80/524694480.db2.gz PTRINRALRUYZRW-HZPDHXFCSA-N 1 1 369.556 1.981 50 0 FDAAMO NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000091650429 524754084 /nfs/dbraw/zinc/75/40/84/524754084.db2.gz TXKWYODJOASIPF-MRXNPFEDSA-N 1 1 361.461 1.804 50 0 FDAAMO C[N@H+](CC(=O)N1C[C@@H]2CC[NH+](C)C[C@]2(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000091650594 524755187 /nfs/dbraw/zinc/75/51/87/524755187.db2.gz GSCYEBMHFSWYMT-KXBFYZLASA-N 1 1 363.433 1.122 50 0 FDAAMO C[N@@H+](CC(=O)N1C[C@@H]2CC[NH+](C)C[C@]2(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000091650594 524755196 /nfs/dbraw/zinc/75/51/96/524755196.db2.gz GSCYEBMHFSWYMT-KXBFYZLASA-N 1 1 363.433 1.122 50 0 FDAAMO C[NH+](CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@]2(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000091650594 524755202 /nfs/dbraw/zinc/75/52/02/524755202.db2.gz GSCYEBMHFSWYMT-KXBFYZLASA-N 1 1 363.433 1.122 50 0 FDAAMO C[NH+](CC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@]2(C(=O)[O-])C1)Cc1ccc(F)cc1 ZINC000091650594 524755205 /nfs/dbraw/zinc/75/52/05/524755205.db2.gz GSCYEBMHFSWYMT-KXBFYZLASA-N 1 1 363.433 1.122 50 0 FDAAMO Cc1ccc2oc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)cc2c1 ZINC000091665071 524756061 /nfs/dbraw/zinc/75/60/61/524756061.db2.gz PXQRRWVDJWVTTP-QZTJIDSGSA-N 1 1 373.497 1.915 50 0 FDAAMO Cc1ccc2oc(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)cc2c1 ZINC000091665071 524756070 /nfs/dbraw/zinc/75/60/70/524756070.db2.gz PXQRRWVDJWVTTP-QZTJIDSGSA-N 1 1 373.497 1.915 50 0 FDAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 ZINC000091725106 524765837 /nfs/dbraw/zinc/76/58/37/524765837.db2.gz KGEQWRUPHQFUQJ-UHFFFAOYSA-N 1 1 370.457 1.881 50 0 FDAAMO COCc1ccc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000091713729 524766857 /nfs/dbraw/zinc/76/68/57/524766857.db2.gz ALJGPMOXLCJKJM-KRWDZBQOSA-N 1 1 351.472 1.321 50 0 FDAAMO COCc1ccc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000091713729 524766869 /nfs/dbraw/zinc/76/68/69/524766869.db2.gz ALJGPMOXLCJKJM-KRWDZBQOSA-N 1 1 351.472 1.321 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](Cc4cncnc4)C3)CCC2=O)cn1 ZINC000091745327 524771270 /nfs/dbraw/zinc/77/12/70/524771270.db2.gz DGQFNUMBJANWJB-FQEVSTJZSA-N 1 1 366.469 1.980 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1nnc(C)s1)C2 ZINC000091746801 524772947 /nfs/dbraw/zinc/77/29/47/524772947.db2.gz GXCAYZFCDGITOK-CHWSQXEVSA-N 1 1 356.517 1.508 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H](c3ccc(C)cc3)[NH+](C)C)CC2)no1 ZINC000091781508 524784800 /nfs/dbraw/zinc/78/48/00/524784800.db2.gz BBOKPLMKCLOFHY-GOSISDBHSA-N 1 1 357.458 1.634 50 0 FDAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CC[NH+](C1CCCCC1)CC2 ZINC000091877095 524805907 /nfs/dbraw/zinc/80/59/07/524805907.db2.gz ZMBDOYPUFJZUNX-UHFFFAOYSA-N 1 1 352.504 1.851 50 0 FDAAMO CCC[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C)n2)C[C@@H]1NS(=O)(=O)CCC ZINC000091988333 524826767 /nfs/dbraw/zinc/82/67/67/524826767.db2.gz OFFLQBYTSNQHQE-ZFWWWQNUSA-N 1 1 356.492 1.008 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cc(=O)[nH]c(C)n2)C[C@@H]1NS(=O)(=O)CCC ZINC000091988333 524826771 /nfs/dbraw/zinc/82/67/71/524826771.db2.gz OFFLQBYTSNQHQE-ZFWWWQNUSA-N 1 1 356.492 1.008 50 0 FDAAMO O=C(COc1cccc(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092065772 524838003 /nfs/dbraw/zinc/83/80/03/524838003.db2.gz VTILMPDVCQVCCN-HUUCEWRRSA-N 1 1 368.861 1.118 50 0 FDAAMO Nc1nccc(N[C@H]2C[N@@H+](CC(=O)NC3CCCCC3)C[C@@H]2C2CC2)n1 ZINC000092065048 524839305 /nfs/dbraw/zinc/83/93/05/524839305.db2.gz IMGVQTJZYZTFCH-CVEARBPZSA-N 1 1 358.490 1.630 50 0 FDAAMO Cc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(F)c1F ZINC000092076926 524843138 /nfs/dbraw/zinc/84/31/38/524843138.db2.gz HXVLQVYKZZOGNA-QZTJIDSGSA-N 1 1 367.484 1.951 50 0 FDAAMO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000092097382 524847575 /nfs/dbraw/zinc/84/75/75/524847575.db2.gz FKTCVYGFQZXPGK-UHFFFAOYSA-N 1 1 361.471 1.114 50 0 FDAAMO CCc1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)nc1 ZINC000095352720 525028030 /nfs/dbraw/zinc/02/80/30/525028030.db2.gz JWPYCGMQIBQQLC-NRFANRHFSA-N 1 1 374.529 1.789 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(Cc3nccn3C)C2)n1C ZINC000095355671 525028745 /nfs/dbraw/zinc/02/87/45/525028745.db2.gz SCHANDNJVVZEDR-HNNXBMFYSA-N 1 1 354.462 1.481 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000239782435 525030111 /nfs/dbraw/zinc/03/01/11/525030111.db2.gz CONUNKZLGXBXNH-MRXNPFEDSA-N 1 1 354.472 1.571 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000239782435 525030123 /nfs/dbraw/zinc/03/01/23/525030123.db2.gz CONUNKZLGXBXNH-MRXNPFEDSA-N 1 1 354.472 1.571 50 0 FDAAMO Cc1cc(C(=O)N2CCC[C@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)no1 ZINC000095354530 525030480 /nfs/dbraw/zinc/03/04/80/525030480.db2.gz SKLAEUPICIHZJM-AWEZNQCLSA-N 1 1 369.429 1.685 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nnc(-c3ccccc3)o1)C2 ZINC000095357950 525031822 /nfs/dbraw/zinc/03/18/22/525031822.db2.gz KTCAYIORCHCKQN-DOTOQJQBSA-N 1 1 369.469 1.721 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1C ZINC000095358399 525034067 /nfs/dbraw/zinc/03/40/67/525034067.db2.gz QDRCBQXSGGQABB-HNNXBMFYSA-N 1 1 357.462 1.764 50 0 FDAAMO CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000095364566 525038685 /nfs/dbraw/zinc/03/86/85/525038685.db2.gz XOKUMQOASHUEGO-UONOGXRCSA-N 1 1 362.499 1.428 50 0 FDAAMO CSc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000095364566 525038695 /nfs/dbraw/zinc/03/86/95/525038695.db2.gz XOKUMQOASHUEGO-UONOGXRCSA-N 1 1 362.499 1.428 50 0 FDAAMO CCCC(=O)C(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095365796 525040266 /nfs/dbraw/zinc/04/02/66/525040266.db2.gz NNQXGRPOHRMDEN-AWEZNQCLSA-N 1 1 358.446 1.444 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CNC(=O)N(C)C)C3)cc1 ZINC000095372265 525048322 /nfs/dbraw/zinc/04/83/22/525048322.db2.gz CJQHPJIVLCGCTK-DLBZAZTESA-N 1 1 374.485 1.389 50 0 FDAAMO Cc1ccc(NC(=O)CN2CC[NH+](CCO)CC2)cc1Br ZINC000019848343 525053246 /nfs/dbraw/zinc/05/32/46/525053246.db2.gz WEBBZBDAKYQROT-UHFFFAOYSA-N 1 1 356.264 1.306 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3ccc(F)c(OC)c3)C[C@@H]2C1 ZINC000095382468 525055198 /nfs/dbraw/zinc/05/51/98/525055198.db2.gz NPBYDXJUDYHUCB-DNVCBOLYSA-N 1 1 366.433 1.266 50 0 FDAAMO COCCc1noc(CN(C)C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000095386020 525059154 /nfs/dbraw/zinc/05/91/54/525059154.db2.gz ZZEMKNGWXSRGBJ-AWEZNQCLSA-N 1 1 358.442 1.664 50 0 FDAAMO COCCc1noc(CN(C)C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000095386020 525059166 /nfs/dbraw/zinc/05/91/66/525059166.db2.gz ZZEMKNGWXSRGBJ-AWEZNQCLSA-N 1 1 358.442 1.664 50 0 FDAAMO O[C@@H](COc1cccc(CN2CC(O)C2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095498577 525079496 /nfs/dbraw/zinc/07/94/96/525079496.db2.gz OJCGWIMRUBBCHE-OAQYLSRUSA-N 1 1 368.477 1.661 50 0 FDAAMO Cn1nc(C(=O)N2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)ccc1=O ZINC000095501139 525083825 /nfs/dbraw/zinc/08/38/25/525083825.db2.gz QTOAIQHSHFNSBT-KRWDZBQOSA-N 1 1 366.465 1.874 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000095508969 525091305 /nfs/dbraw/zinc/09/13/05/525091305.db2.gz WJJORQKUOJKYFY-GOSISDBHSA-N 1 1 374.485 1.506 50 0 FDAAMO COc1cc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000095508969 525091311 /nfs/dbraw/zinc/09/13/11/525091311.db2.gz WJJORQKUOJKYFY-GOSISDBHSA-N 1 1 374.485 1.506 50 0 FDAAMO CC1([C@@H]2CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011022 525120300 /nfs/dbraw/zinc/12/03/00/525120300.db2.gz LLEFHFZZOZMBEA-RTBURBONSA-N 1 1 374.481 1.889 50 0 FDAAMO CC1([C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011022 525120308 /nfs/dbraw/zinc/12/03/08/525120308.db2.gz LLEFHFZZOZMBEA-RTBURBONSA-N 1 1 374.481 1.889 50 0 FDAAMO COCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000096006757 525120400 /nfs/dbraw/zinc/12/04/00/525120400.db2.gz VHHHLJNUGVJXKK-KRWDZBQOSA-N 1 1 356.488 1.099 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC(F)F)c2)C[N@@H+]1C ZINC000096137853 525139395 /nfs/dbraw/zinc/13/93/95/525139395.db2.gz DTWPARGBYYWONV-ZFWWWQNUSA-N 1 1 369.412 1.959 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC(F)F)c2)C[N@H+]1C ZINC000096137853 525139400 /nfs/dbraw/zinc/13/94/00/525139400.db2.gz DTWPARGBYYWONV-ZFWWWQNUSA-N 1 1 369.412 1.959 50 0 FDAAMO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)c1 ZINC000096163089 525144208 /nfs/dbraw/zinc/14/42/08/525144208.db2.gz GFRXDEOMNWLLTF-KRWDZBQOSA-N 1 1 361.442 1.784 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](Cc2ccoc2)CC1 ZINC000096161351 525144833 /nfs/dbraw/zinc/14/48/33/525144833.db2.gz BKOIFIWYVOCLCN-UHFFFAOYSA-N 1 1 358.490 1.535 50 0 FDAAMO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cncnc2)CC1 ZINC000096166174 525146261 /nfs/dbraw/zinc/14/62/61/525146261.db2.gz CGTPSWKZYBENLL-UHFFFAOYSA-N 1 1 352.446 1.712 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)C[N@@H+]1Cc1cccc2nonc21 ZINC000096165456 525146539 /nfs/dbraw/zinc/14/65/39/525146539.db2.gz JNDOSYMYSXAGMF-ZBFHGGJFSA-N 1 1 359.430 1.170 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(C)=O)C[N@H+]1Cc1cccc2nonc21 ZINC000096165456 525146544 /nfs/dbraw/zinc/14/65/44/525146544.db2.gz JNDOSYMYSXAGMF-ZBFHGGJFSA-N 1 1 359.430 1.170 50 0 FDAAMO CC(C)=CCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000097474885 525184988 /nfs/dbraw/zinc/18/49/88/525184988.db2.gz SBTAVMIQNOJLRY-QGZVFWFLSA-N 1 1 357.502 1.804 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000097713480 525193064 /nfs/dbraw/zinc/19/30/64/525193064.db2.gz NOVWLCHSYQBDMA-ZDUSSCGKSA-N 1 1 362.503 1.744 50 0 FDAAMO CSCCC(=O)N1CCC2(CC[NH+](Cc3cnc[nH]3)CC2)[C@@H](CO)C1 ZINC000097784869 525194397 /nfs/dbraw/zinc/19/43/97/525194397.db2.gz POMGQMGKJKZSAA-OAHLLOKOSA-N 1 1 366.531 1.586 50 0 FDAAMO COc1cc2c(cc1C[N@@H+]1CCCO[C@H](CN3CCOCC3)C1)OCO2 ZINC000097784782 525195477 /nfs/dbraw/zinc/19/54/77/525195477.db2.gz SZPMKBDKDBLCKK-MRXNPFEDSA-N 1 1 364.442 1.347 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1CCCO[C@H](CN3CCOCC3)C1)OCO2 ZINC000097784782 525195485 /nfs/dbraw/zinc/19/54/85/525195485.db2.gz SZPMKBDKDBLCKK-MRXNPFEDSA-N 1 1 364.442 1.347 50 0 FDAAMO O=C(C1CC1)N1C[C@@H]2[C@@H](CN3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC000102776625 525305798 /nfs/dbraw/zinc/30/57/98/525305798.db2.gz WHNNQKLFEXUYGM-MZADTFQBSA-N 1 1 353.510 1.961 50 0 FDAAMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000252452318 525508147 /nfs/dbraw/zinc/50/81/47/525508147.db2.gz BSZOQVAIRDVUKC-IXYNUQLISA-N 1 1 356.488 1.932 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000169680684 525626351 /nfs/dbraw/zinc/62/63/51/525626351.db2.gz UTNINHOEWVCNDW-ZWKOTPCHSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000169680684 525626355 /nfs/dbraw/zinc/62/63/55/525626355.db2.gz UTNINHOEWVCNDW-ZWKOTPCHSA-N 1 1 368.449 1.386 50 0 FDAAMO Cc1ccncc1C(=O)N[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1C(C)C ZINC000091665195 525728207 /nfs/dbraw/zinc/72/82/07/525728207.db2.gz SIPPWVMFDOEZRU-MSOLQXFVSA-N 1 1 358.486 1.699 50 0 FDAAMO O[C@H](COc1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020294124 526291136 /nfs/dbraw/zinc/29/11/36/526291136.db2.gz BTQZPJLSSCNZMZ-SFHVURJKSA-N 1 1 370.449 1.973 50 0 FDAAMO O=C(CCCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091645755 526472201 /nfs/dbraw/zinc/47/22/01/526472201.db2.gz RKUAYHSWIXFUEW-ZWKOTPCHSA-N 1 1 354.458 1.576 50 0 FDAAMO Cc1nnc(CCC(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)[nH]1 ZINC000082134071 526806658 /nfs/dbraw/zinc/80/66/58/526806658.db2.gz NYSRIIBAQQLKAO-UHFFFAOYSA-N 1 1 359.478 1.420 50 0 FDAAMO O=C(Cn1ncc2ccsc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020355428 527426985 /nfs/dbraw/zinc/42/69/85/527426985.db2.gz LJGFAHRTTPKOIP-UHFFFAOYSA-N 1 1 368.462 1.802 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@@H](Cn2cc(C3(O)CCCC3)nn2)C1 ZINC000020726089 527569232 /nfs/dbraw/zinc/56/92/32/527569232.db2.gz RRYWWBAQVHYQGL-OAHLLOKOSA-N 1 1 356.474 1.929 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1CN1CCOCC1 ZINC000091643443 527620602 /nfs/dbraw/zinc/62/06/02/527620602.db2.gz HOBCLNZETNXDDK-RTBURBONSA-N 1 1 356.470 1.449 50 0 FDAAMO COc1ccc(-c2csc3ncnc(N4CC[NH2+][C@@H](C(N)=O)C4)c23)cc1 ZINC000057398772 536501613 /nfs/dbraw/zinc/50/16/13/536501613.db2.gz FETSKWYNFHRMKR-CQSZACIVSA-N 1 1 369.450 1.630 50 0 FDAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000252494498 537250178 /nfs/dbraw/zinc/25/01/78/537250178.db2.gz NXLSPKWWJCFGGZ-GOSISDBHSA-N 1 1 358.486 1.175 50 0 FDAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000252494498 537250179 /nfs/dbraw/zinc/25/01/79/537250179.db2.gz NXLSPKWWJCFGGZ-GOSISDBHSA-N 1 1 358.486 1.175 50 0 FDAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000252494498 537250181 /nfs/dbraw/zinc/25/01/81/537250181.db2.gz NXLSPKWWJCFGGZ-GOSISDBHSA-N 1 1 358.486 1.175 50 0 FDAAMO Cc1nn(CCCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c(C)c1Cl ZINC000252508607 537250461 /nfs/dbraw/zinc/25/04/61/537250461.db2.gz XPUWZKZDCMUBQL-CQSZACIVSA-N 1 1 369.897 1.259 50 0 FDAAMO Cc1nn(CCCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c(C)c1Cl ZINC000252508607 537250463 /nfs/dbraw/zinc/25/04/63/537250463.db2.gz XPUWZKZDCMUBQL-CQSZACIVSA-N 1 1 369.897 1.259 50 0 FDAAMO COc1ccccc1CN1C(=O)CC[C@@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000223410281 537524246 /nfs/dbraw/zinc/52/42/46/537524246.db2.gz YDVYBZGPMJGJMK-QGZVFWFLSA-N 1 1 370.453 1.898 50 0 FDAAMO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)CC1 ZINC000223635691 537531869 /nfs/dbraw/zinc/53/18/69/537531869.db2.gz DBIWNVJUANQAJO-AWEZNQCLSA-N 1 1 355.433 1.910 50 0 FDAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cn2cnnn2)cc1 ZINC000225414876 537547630 /nfs/dbraw/zinc/54/76/30/537547630.db2.gz FIOPSNGSGPHISC-QZTJIDSGSA-N 1 1 354.458 1.716 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000226818892 537568044 /nfs/dbraw/zinc/56/80/44/537568044.db2.gz GTROENGDRVPJEO-CVEARBPZSA-N 1 1 359.536 1.286 50 0 FDAAMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000229951287 537577322 /nfs/dbraw/zinc/57/73/22/537577322.db2.gz DBHJOSDZLSXMLT-PKOBYXMFSA-N 1 1 361.486 1.287 50 0 FDAAMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000229951287 537577330 /nfs/dbraw/zinc/57/73/30/537577330.db2.gz DBHJOSDZLSXMLT-PKOBYXMFSA-N 1 1 361.486 1.287 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(C(C)C)C1=O ZINC000230093107 537577631 /nfs/dbraw/zinc/57/76/31/537577631.db2.gz LLDXMDVEDYEZEE-PBHICJAKSA-N 1 1 372.469 1.199 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000241317045 537646800 /nfs/dbraw/zinc/64/68/00/537646800.db2.gz LXHPSKZPQUGEGB-MRXNPFEDSA-N 1 1 359.470 1.941 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244633438 537649203 /nfs/dbraw/zinc/64/92/03/537649203.db2.gz GDAUDTYGERKTMK-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244633438 537649208 /nfs/dbraw/zinc/64/92/08/537649208.db2.gz GDAUDTYGERKTMK-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO COCCn1cncc1C[N@@H+]1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000244678634 537649883 /nfs/dbraw/zinc/64/98/83/537649883.db2.gz IHFZAYWIAYVENH-UHFFFAOYSA-N 1 1 366.469 1.770 50 0 FDAAMO CN(C)c1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)cc1 ZINC000244866539 537654566 /nfs/dbraw/zinc/65/45/66/537654566.db2.gz VXXSLRCTCBYTEA-WOJBJXKFSA-N 1 1 368.481 1.442 50 0 FDAAMO CN(C)c1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)cc1 ZINC000244866539 537654568 /nfs/dbraw/zinc/65/45/68/537654568.db2.gz VXXSLRCTCBYTEA-WOJBJXKFSA-N 1 1 368.481 1.442 50 0 FDAAMO COc1ccccc1OCCCN(C)C(=O)NC[C@H]1COCC[N@@H+](C)C1 ZINC000584885020 551564392 /nfs/dbraw/zinc/56/43/92/551564392.db2.gz SZGLZTXLJMGLBH-MRXNPFEDSA-N 1 1 365.474 1.684 50 0 FDAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)NCCS(=O)(=O)N(C)C)c2)[nH+]1 ZINC000584892833 551565900 /nfs/dbraw/zinc/56/59/00/551565900.db2.gz OAZFIFKVZNVUKI-UHFFFAOYSA-N 1 1 350.444 1.315 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N(CCO)Cc1ccc(F)cc1 ZINC000584894825 551566036 /nfs/dbraw/zinc/56/60/36/551566036.db2.gz FVQWBMYYXKIQQM-IRXDYDNUSA-N 1 1 353.438 1.437 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)n1 ZINC000613508303 554933014 /nfs/dbraw/zinc/93/30/14/554933014.db2.gz AVAZWOASSLNHGA-KRWDZBQOSA-N 1 1 371.485 1.045 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)n1 ZINC000613508303 554933015 /nfs/dbraw/zinc/93/30/15/554933015.db2.gz AVAZWOASSLNHGA-KRWDZBQOSA-N 1 1 371.485 1.045 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)NCc1cn2c(n1)SCC2)c1ccc2c(c1)OCO2 ZINC000426641301 571105091 /nfs/dbraw/zinc/10/50/91/571105091.db2.gz ALCGYMPRCAAYNX-OAHLLOKOSA-N 1 1 360.439 1.637 50 0 FDAAMO CCc1[nH+]ccn1CC1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000243893735 571112619 /nfs/dbraw/zinc/11/26/19/571112619.db2.gz ATLCWPBWOQUXFH-UHFFFAOYSA-N 1 1 362.455 1.303 50 0 FDAAMO Cc1cc(C)n2c(nnc2C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000244707840 571114677 /nfs/dbraw/zinc/11/46/77/571114677.db2.gz KIMICWKBJZJMJI-MRXNPFEDSA-N 1 1 350.426 1.528 50 0 FDAAMO Cc1cc(C)n2c(nnc2C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000244707840 571114679 /nfs/dbraw/zinc/11/46/79/571114679.db2.gz KIMICWKBJZJMJI-MRXNPFEDSA-N 1 1 350.426 1.528 50 0 FDAAMO C[NH+]1CCN(CCC(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000299773952 571196554 /nfs/dbraw/zinc/19/65/54/571196554.db2.gz GMTVSZUSBIPIMV-UHFFFAOYSA-N 1 1 363.893 1.903 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(CCn2cncn2)CC1 ZINC000299779935 571197660 /nfs/dbraw/zinc/19/76/60/571197660.db2.gz HDWWPMSQPPCMRT-IBGZPJMESA-N 1 1 368.485 1.087 50 0 FDAAMO O=C(c1ccccc1-n1cnnc1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000299797403 571202335 /nfs/dbraw/zinc/20/23/35/571202335.db2.gz OSJDUSVJTRZQMI-QGZVFWFLSA-N 1 1 369.469 1.984 50 0 FDAAMO CNC(=O)Cc1ccc(NC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000426386515 571218029 /nfs/dbraw/zinc/21/80/29/571218029.db2.gz ZHTNZNWZIJBFHZ-GOSISDBHSA-N 1 1 374.485 1.286 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@H](O)C1 ZINC000426387690 571218450 /nfs/dbraw/zinc/21/84/50/571218450.db2.gz NGYWWUMUCMVDHU-HZPDHXFCSA-N 1 1 365.380 1.935 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@H](O)C1 ZINC000426387690 571218453 /nfs/dbraw/zinc/21/84/53/571218453.db2.gz NGYWWUMUCMVDHU-HZPDHXFCSA-N 1 1 365.380 1.935 50 0 FDAAMO Cc1cc(NC(=O)NCC[N@H+]2CCC[C@H](CO)C2)ccc1N1CCCC1=O ZINC000426513508 571229414 /nfs/dbraw/zinc/22/94/14/571229414.db2.gz CIJMAKSLHSPMRO-INIZCTEOSA-N 1 1 374.485 1.948 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cnn1C ZINC000426518403 571229809 /nfs/dbraw/zinc/22/98/09/571229809.db2.gz UVHMZTUQOTXSKY-MRXNPFEDSA-N 1 1 373.505 1.069 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1cccc(-c2nncn2C)c1C ZINC000426530754 571230398 /nfs/dbraw/zinc/23/03/98/571230398.db2.gz GIXLJNMHTOPLEY-HOTGVXAUSA-N 1 1 358.446 1.631 50 0 FDAAMO CCOCCN(C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426531532 571230534 /nfs/dbraw/zinc/23/05/34/571230534.db2.gz DPPGJGFPJXDTPJ-BIXGBWIQSA-N 1 1 372.513 1.232 50 0 FDAAMO CN1Cc2ccccc2C[C@@H]1CNC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000426598804 571233063 /nfs/dbraw/zinc/23/30/63/571233063.db2.gz CQIGCUVZIARNJV-GOSISDBHSA-N 1 1 368.485 1.232 50 0 FDAAMO Cc1cc(C)n(CCN(C)C(=O)NCCC[N@H+]2CCC[C@H](CO)C2)n1 ZINC000426628657 571233743 /nfs/dbraw/zinc/23/37/43/571233743.db2.gz APTDHWHSCFVTIP-KRWDZBQOSA-N 1 1 351.495 1.236 50 0 FDAAMO CC(=O)N1CCC(NC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000426707267 571236013 /nfs/dbraw/zinc/23/60/13/571236013.db2.gz SXZBOBNHUSZFGE-IBGZPJMESA-N 1 1 358.486 1.695 50 0 FDAAMO Cc1ccn2c(nnc2C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426707302 571236036 /nfs/dbraw/zinc/23/60/36/571236036.db2.gz YNPLNPQGNTYYOT-UHFFFAOYSA-N 1 1 368.416 1.920 50 0 FDAAMO Cc1ccn2c(nnc2C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000426707302 571236037 /nfs/dbraw/zinc/23/60/37/571236037.db2.gz YNPLNPQGNTYYOT-UHFFFAOYSA-N 1 1 368.416 1.920 50 0 FDAAMO O=C(NC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1)c1cc(=O)[nH]cn1 ZINC000585123978 571320670 /nfs/dbraw/zinc/32/06/70/571320670.db2.gz WIWSVCVZPAKJOC-UHFFFAOYSA-N 1 1 371.416 1.406 50 0 FDAAMO O=C(Cc1cccnc1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670438274 571347784 /nfs/dbraw/zinc/34/77/84/571347784.db2.gz ZQAXJDSPHWPJCG-NFOQDIRWSA-N 1 1 362.477 1.308 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)c1nccnc1C(=O)N1CCCCC1 ZINC000670456997 571354872 /nfs/dbraw/zinc/35/48/72/571354872.db2.gz HIGOFTCFHDYKIR-UHFFFAOYSA-N 1 1 356.430 1.428 50 0 FDAAMO CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1C[NH2+]CCNC(C)=O ZINC000011911009 670608874 /nfs/dbraw/zinc/60/88/74/670608874.db2.gz SBMULQFSCCFGIM-UHFFFAOYSA-N 1 1 364.833 1.928 50 0 FDAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012299509 670612296 /nfs/dbraw/zinc/61/22/96/670612296.db2.gz YIRVPLPAJGIARB-QGZVFWFLSA-N 1 1 352.500 1.997 50 0 FDAAMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2csc(N3CCCC3=O)n2)C1 ZINC000046880552 671017191 /nfs/dbraw/zinc/01/71/91/671017191.db2.gz PVEGYBYDAQWFOV-ZDUSSCGKSA-N 1 1 350.488 1.661 50 0 FDAAMO C[C@](O)(C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161769 678073454 /nfs/dbraw/zinc/07/34/54/678073454.db2.gz KQYONHNMJMZUPT-OLZOCXBDSA-N 1 1 358.426 1.626 50 0 FDAAMO C[C@](O)(C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161769 678073456 /nfs/dbraw/zinc/07/34/56/678073456.db2.gz KQYONHNMJMZUPT-OLZOCXBDSA-N 1 1 358.426 1.626 50 0 FDAAMO Cc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)C[N@H+]3C(C)C)C2)cn1 ZINC000257187536 793971184 /nfs/dbraw/zinc/97/11/84/793971184.db2.gz LUWUPPMHWVTFKT-CVEARBPZSA-N 1 1 370.457 1.154 50 0 FDAAMO Cc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)C[N@@H+]3C(C)C)C2)cn1 ZINC000257187536 793971187 /nfs/dbraw/zinc/97/11/87/793971187.db2.gz LUWUPPMHWVTFKT-CVEARBPZSA-N 1 1 370.457 1.154 50 0 FDAAMO CC[N@H+]1CC[C@H](c2nnc3n2CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)C1 ZINC000257189700 794007267 /nfs/dbraw/zinc/00/72/67/794007267.db2.gz JVFFCLNBCXVIIT-KRWDZBQOSA-N 1 1 369.469 1.844 50 0 FDAAMO CC[NH+]1CC[C@H](c2nnc3n2CC[N@@H+](Cc2cccc(C(=O)[O-])c2)CC3)C1 ZINC000257189700 794007273 /nfs/dbraw/zinc/00/72/73/794007273.db2.gz JVFFCLNBCXVIIT-KRWDZBQOSA-N 1 1 369.469 1.844 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000674750978 794483296 /nfs/dbraw/zinc/48/32/96/794483296.db2.gz XWIOYUMBYWGGIA-HZPDHXFCSA-N 1 1 352.504 1.636 50 0 FDAAMO CC(C)CC[NH+]1CCC2(CC1)N[C@H](C(=O)N1CCCC1)Cc1nc[nH]c12 ZINC000675014119 795220642 /nfs/dbraw/zinc/22/06/42/795220642.db2.gz LYEYWPMRUFMRFK-KRWDZBQOSA-N 1 1 359.518 1.884 50 0 FDAAMO CC(=O)N1CC[C@@]2(CO)C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]2C1 ZINC000675021132 795241369 /nfs/dbraw/zinc/24/13/69/795241369.db2.gz MNDUMBIIPAGDGK-ICSRJNTNSA-N 1 1 354.454 1.739 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN(C)c1ncnc2c1ncn2CC1(O)CCOCC1 ZINC000888097101 808178218 /nfs/dbraw/zinc/17/82/18/808178218.db2.gz AQMDDTAIUBFPIP-OAHLLOKOSA-N 1 1 374.489 1.288 50 0 FDAAMO C[N@H+](CC(=O)NCCn1ncc2ccccc2c1=O)Cc1ccc(F)cc1 ZINC000252479590 810449881 /nfs/dbraw/zinc/44/98/81/810449881.db2.gz BIDVCEDZGZEHGX-UHFFFAOYSA-N 1 1 368.412 1.784 50 0 FDAAMO C[N@@H+](CC(=O)NCCn1ncc2ccccc2c1=O)Cc1ccc(F)cc1 ZINC000252479590 810449888 /nfs/dbraw/zinc/44/98/88/810449888.db2.gz BIDVCEDZGZEHGX-UHFFFAOYSA-N 1 1 368.412 1.784 50 0 FDAAMO O=C(NCc1nnc2ccccn21)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000179060690 826948412 /nfs/dbraw/zinc/94/84/12/826948412.db2.gz DACZPSRRDGJUHK-UHFFFAOYSA-N 1 1 371.832 1.810 50 0 FDAAMO O=C(c1cccnc1O[C@@H]1CC[N@@H+](Cc2ccccn2)C1)N1CCOCC1 ZINC000169751901 864483998 /nfs/dbraw/zinc/48/39/98/864483998.db2.gz DWWYNLYIWCXBHB-QGZVFWFLSA-N 1 1 368.437 1.602 50 0 FDAAMO Cc1ccccc1C[N@H+]1C[C@@H]2C(=O)N(CCCN3CCCC3=O)C(=O)[C@@H]2C1 ZINC000169762552 864496207 /nfs/dbraw/zinc/49/62/07/864496207.db2.gz RGVWJSDAWXSBEK-HDICACEKSA-N 1 1 369.465 1.424 50 0 FDAAMO Cc1noc([C@@]23C[N@@H+](CCO)C[C@@H]2CCN(C(=O)c2ccccc2)C3)n1 ZINC000257192739 864725174 /nfs/dbraw/zinc/72/51/74/864725174.db2.gz VOWXGKNNXVVTBC-QFBILLFUSA-N 1 1 356.426 1.086 50 0 FDAAMO COc1ccc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)c(OC)c1 ZINC000271087005 872239441 /nfs/dbraw/zinc/23/94/41/872239441.db2.gz ZMCVLNBONGBROA-UHFFFAOYSA-N 1 1 359.430 1.352 50 0 FDAAMO CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cn2)CC1 ZINC000012049928 873945353 /nfs/dbraw/zinc/94/53/53/873945353.db2.gz QZVRDDJKJFXWPX-SFHVURJKSA-N 1 1 373.545 1.931 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cn2)CC1 ZINC000012049928 873945356 /nfs/dbraw/zinc/94/53/56/873945356.db2.gz QZVRDDJKJFXWPX-SFHVURJKSA-N 1 1 373.545 1.931 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cn2)CC1 ZINC000012049928 873945358 /nfs/dbraw/zinc/94/53/58/873945358.db2.gz QZVRDDJKJFXWPX-SFHVURJKSA-N 1 1 373.545 1.931 50 0 FDAAMO CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C)nc(OC)n3)CC2)CC1 ZINC000680621597 906548504 /nfs/dbraw/zinc/54/85/04/906548504.db2.gz FGWACHJAHMVREY-UHFFFAOYSA-N 1 1 361.490 1.564 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC2(CC[C@H]2[NH+]2CCOCC2)CC1 ZINC000581803960 927600083 /nfs/dbraw/zinc/60/00/83/927600083.db2.gz XNVDEXKGDMLRPU-OAHLLOKOSA-N 1 1 369.487 1.557 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000952860343 960187060 /nfs/dbraw/zinc/18/70/60/960187060.db2.gz MVQVBPOXTQXXOY-LPHOPBHVSA-N 1 1 370.428 1.624 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCCN(Cc2nnc(C(C)C)o2)C1 ZINC000952868503 960207902 /nfs/dbraw/zinc/20/79/02/960207902.db2.gz ABBSBVWCFCDCRO-HNNXBMFYSA-N 1 1 360.462 1.726 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000952964986 960249428 /nfs/dbraw/zinc/24/94/28/960249428.db2.gz BAVQHOOHSKJFQW-OALUTQOASA-N 1 1 372.513 1.212 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000952964986 960249435 /nfs/dbraw/zinc/24/94/35/960249435.db2.gz BAVQHOOHSKJFQW-OALUTQOASA-N 1 1 372.513 1.212 50 0 FDAAMO COCC(=O)Nc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000952971902 960266232 /nfs/dbraw/zinc/26/62/32/960266232.db2.gz LSGPDAWTUUDLHT-GFCCVEGCSA-N 1 1 368.865 1.499 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNc1cncc(C(=O)N2CCOCC2)n1 ZINC000952967782 960283030 /nfs/dbraw/zinc/28/30/30/960283030.db2.gz BUNXKUCKRILYHE-UHFFFAOYSA-N 1 1 358.446 1.771 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000952968440 960283819 /nfs/dbraw/zinc/28/38/19/960283819.db2.gz OSEBDOGCLCIURG-SFHVURJKSA-N 1 1 358.486 1.096 50 0 FDAAMO CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000193109691 178147876 /nfs/dbraw/zinc/14/78/76/178147876.db2.gz VJEPVTFQCXSZJR-WOJBJXKFSA-N 1 1 373.497 1.339 50 0 FDAAMO C[C@H](CCNC(=O)N1CC(Oc2ccccc2F)C1)[NH+]1CCOCC1 ZINC000534642993 540393602 /nfs/dbraw/zinc/39/36/02/540393602.db2.gz MEWHLQSGPMJKEL-CQSZACIVSA-N 1 1 351.422 1.709 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000004625336 204151290 /nfs/dbraw/zinc/15/12/90/204151290.db2.gz MPUBNLJZCLYZNE-UHFFFAOYSA-N 1 1 355.354 1.790 50 0 FDAAMO C[C@H]1CCCN(Cc2nnn(-c3nonc3N)c2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000004786486 204163773 /nfs/dbraw/zinc/16/37/73/204163773.db2.gz QFENPDYVIVLENT-KBPBESRZSA-N 1 1 374.493 1.696 50 0 FDAAMO C[C@H]1CCCN(Cc2nnn(-c3nonc3N)c2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000004786486 204163777 /nfs/dbraw/zinc/16/37/77/204163777.db2.gz QFENPDYVIVLENT-KBPBESRZSA-N 1 1 374.493 1.696 50 0 FDAAMO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2cccc(C)c2)n(C)c1=O ZINC000008710224 204339475 /nfs/dbraw/zinc/33/94/75/204339475.db2.gz RFFDSKPBMJXRKH-UHFFFAOYSA-N 1 1 366.425 1.621 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007486455 204299536 /nfs/dbraw/zinc/29/95/36/204299536.db2.gz HRGNUJXHYWJPBL-MRXNPFEDSA-N 1 1 365.499 1.394 50 0 FDAAMO COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035360233 204990250 /nfs/dbraw/zinc/99/02/50/204990250.db2.gz ODCYKKLKNYSAMN-KSSFIOAISA-N 1 1 367.449 1.531 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2sccc2C)c(=O)n(C)c1=O ZINC000036389824 205014748 /nfs/dbraw/zinc/01/47/48/205014748.db2.gz SJJFSHPYLYUEFE-UHFFFAOYSA-N 1 1 364.471 1.224 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2sccc2C)c(=O)n(C)c1=O ZINC000036389824 205014753 /nfs/dbraw/zinc/01/47/53/205014753.db2.gz SJJFSHPYLYUEFE-UHFFFAOYSA-N 1 1 364.471 1.224 50 0 FDAAMO CSCc1ccc(C[NH2+]CCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000040153294 205059559 /nfs/dbraw/zinc/05/95/59/205059559.db2.gz KFVBUOWGLMZCPC-STQMWFEESA-N 1 1 362.517 1.671 50 0 FDAAMO Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000040160745 205061341 /nfs/dbraw/zinc/06/13/41/205061341.db2.gz BDZNLGUTZWIISJ-UHFFFAOYSA-N 1 1 353.488 1.054 50 0 FDAAMO Cc1cccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C(C)C)c1 ZINC000046140807 205132987 /nfs/dbraw/zinc/13/29/87/205132987.db2.gz JYNCKEHVCFTBAO-UHFFFAOYSA-N 1 1 353.488 1.081 50 0 FDAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1ccc(C)cc1 ZINC000046140994 205133840 /nfs/dbraw/zinc/13/38/40/205133840.db2.gz YXISKYWFNUGISF-UHFFFAOYSA-N 1 1 367.515 1.011 50 0 FDAAMO COc1cccc(COCC(=O)NC[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000046745311 205139190 /nfs/dbraw/zinc/13/91/90/205139190.db2.gz FPRIYJDLOXJUIT-JYJNAYRXSA-N 1 1 350.459 1.826 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)COc2ccccc2)[C@H](c2ccccc2)C1 ZINC000048325277 205158121 /nfs/dbraw/zinc/15/81/21/205158121.db2.gz JGLYDRZXIKLHIX-IBGZPJMESA-N 1 1 367.449 1.697 50 0 FDAAMO C[N@H+]1CCN(C(=O)CNC(=O)COc2ccccc2)[C@H](c2ccccc2)C1 ZINC000048325277 205158124 /nfs/dbraw/zinc/15/81/24/205158124.db2.gz JGLYDRZXIKLHIX-IBGZPJMESA-N 1 1 367.449 1.697 50 0 FDAAMO CCOC(=O)NCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000051420189 205183704 /nfs/dbraw/zinc/18/37/04/205183704.db2.gz LIOZGIHZOIYXQT-UHFFFAOYSA-N 1 1 374.441 1.658 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CSc2ncccn2)o1 ZINC000055108043 205207113 /nfs/dbraw/zinc/20/71/13/205207113.db2.gz SDVQUMCZIIJEJI-UHFFFAOYSA-N 1 1 362.455 1.814 50 0 FDAAMO COCC(=O)N1CCC[N@@H+](Cc2cn(CCC(N)=O)c3ccccc23)CC1 ZINC000055182585 205209380 /nfs/dbraw/zinc/20/93/80/205209380.db2.gz VYQNWHYQJMVTDU-UHFFFAOYSA-N 1 1 372.469 1.197 50 0 FDAAMO CC(C)(CNc1cccc(Cl)c1)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055270832 205212871 /nfs/dbraw/zinc/21/28/71/205212871.db2.gz KCXWRTKINHKNEU-ZDUSSCGKSA-N 1 1 366.893 1.844 50 0 FDAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@H]2[NH2+]C2CCCC2)cc1 ZINC000055408857 205218557 /nfs/dbraw/zinc/21/85/57/205218557.db2.gz ULWSEVKOBANOTM-SJORKVTESA-N 1 1 371.524 1.721 50 0 FDAAMO Cc1csc(N2CCC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)CC2)n1 ZINC000058225174 205266049 /nfs/dbraw/zinc/26/60/49/205266049.db2.gz NYLZRWQPGKDDQZ-UHFFFAOYSA-N 1 1 365.503 1.684 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775877 205303968 /nfs/dbraw/zinc/30/39/68/205303968.db2.gz AYIBXUGZIJVBMA-CQSZACIVSA-N 1 1 367.453 1.489 50 0 FDAAMO Cc1ccc(NC(=O)C[NH2+]CCC(=O)N2CCN(C(C)C)CC2)c(C)c1 ZINC000065464992 205353492 /nfs/dbraw/zinc/35/34/92/205353492.db2.gz AYBKPOUMXGGBLJ-UHFFFAOYSA-N 1 1 360.502 1.774 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065370405 205339166 /nfs/dbraw/zinc/33/91/66/205339166.db2.gz RLRYRBAWPUMNAV-JKSUJKDBSA-N 1 1 371.437 1.941 50 0 FDAAMO O=C(C[NH2+]CCS(=O)(=O)N1CCCC1)Nc1ccc(Cl)cc1F ZINC000065386705 205343459 /nfs/dbraw/zinc/34/34/59/205343459.db2.gz KXQZJUBDMZGGTJ-UHFFFAOYSA-N 1 1 363.842 1.433 50 0 FDAAMO C[N@H+]1CCCN(c2nc3nc(=O)n(-c4cccc(F)c4)c(=O)c-3c[nH]2)CC1 ZINC000067264308 205369239 /nfs/dbraw/zinc/36/92/39/205369239.db2.gz RFKWPAYUSUULQP-UHFFFAOYSA-N 1 1 370.388 1.162 50 0 FDAAMO CC(C)Oc1cccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000067601996 205377241 /nfs/dbraw/zinc/37/72/41/205377241.db2.gz CQIADQLLNKMQDY-UHFFFAOYSA-N 1 1 369.487 1.014 50 0 FDAAMO C[NH+](C)CCNC(=O)[C@H]1C[C@@](C)(C(=O)[O-])[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000067688315 205381462 /nfs/dbraw/zinc/38/14/62/205381462.db2.gz IADFKZVKDIMJAB-MPGHIAIKSA-N 1 1 367.877 1.854 50 0 FDAAMO COc1cccc(O[C@H](C)C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067676260 205382631 /nfs/dbraw/zinc/38/26/31/205382631.db2.gz IACPKWDCNNTIOV-MRXNPFEDSA-N 1 1 361.486 1.701 50 0 FDAAMO COc1cccc(O[C@H](C)C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)c1 ZINC000067676260 205382633 /nfs/dbraw/zinc/38/26/33/205382633.db2.gz IACPKWDCNNTIOV-MRXNPFEDSA-N 1 1 361.486 1.701 50 0 FDAAMO COc1cccc(O[C@H](C)C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)c1 ZINC000067676260 205382639 /nfs/dbraw/zinc/38/26/39/205382639.db2.gz IACPKWDCNNTIOV-MRXNPFEDSA-N 1 1 361.486 1.701 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CC[C@H](C)N3CC[NH+](C)CC3)CC2)nc1 ZINC000067741302 205387133 /nfs/dbraw/zinc/38/71/33/205387133.db2.gz RUAMSKTXTHDTQG-SFHVURJKSA-N 1 1 374.529 1.616 50 0 FDAAMO Cn1ncc(CN2CC[N@@H+](C)C3(CCN(C(=O)C4CC4)CC3)C2)c1C1CC1 ZINC000067774678 205389981 /nfs/dbraw/zinc/38/99/81/205389981.db2.gz LWIOWAJBJASJFW-UHFFFAOYSA-N 1 1 371.529 1.816 50 0 FDAAMO Cn1ncc(C[N@@H+]2CCN(C)C3(CCN(C(=O)C4CC4)CC3)C2)c1C1CC1 ZINC000067774678 205389986 /nfs/dbraw/zinc/38/99/86/205389986.db2.gz LWIOWAJBJASJFW-UHFFFAOYSA-N 1 1 371.529 1.816 50 0 FDAAMO Cn1ncc(C[N@H+]2CCN(C)C3(CCN(C(=O)C4CC4)CC3)C2)c1C1CC1 ZINC000067774678 205389989 /nfs/dbraw/zinc/38/99/89/205389989.db2.gz LWIOWAJBJASJFW-UHFFFAOYSA-N 1 1 371.529 1.816 50 0 FDAAMO CN1CCC[N@@H+](CCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 ZINC000107664648 206020542 /nfs/dbraw/zinc/02/05/42/206020542.db2.gz JZSTUZJPYDJSGR-IBGZPJMESA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@@H+]1CCCN(CCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 ZINC000107664648 206020548 /nfs/dbraw/zinc/02/05/48/206020548.db2.gz JZSTUZJPYDJSGR-IBGZPJMESA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@H+]1CCCN(CCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)CC1 ZINC000107664648 206020554 /nfs/dbraw/zinc/02/05/54/206020554.db2.gz JZSTUZJPYDJSGR-IBGZPJMESA-N 1 1 359.514 1.598 50 0 FDAAMO CC[NH+]1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000005195476 206191605 /nfs/dbraw/zinc/19/16/05/206191605.db2.gz JCSNIEWNNVWTSS-AWEZNQCLSA-N 1 1 350.850 1.792 50 0 FDAAMO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000006997477 206207640 /nfs/dbraw/zinc/20/76/40/206207640.db2.gz JJXHVLZADIMCBB-UHFFFAOYSA-N 1 1 367.496 1.186 50 0 FDAAMO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000006997477 206207644 /nfs/dbraw/zinc/20/76/44/206207644.db2.gz JJXHVLZADIMCBB-UHFFFAOYSA-N 1 1 367.496 1.186 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000009489332 206247395 /nfs/dbraw/zinc/24/73/95/206247395.db2.gz SSHJEYZVNDHYRC-UHFFFAOYSA-N 1 1 365.499 1.557 50 0 FDAAMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000170598030 206271303 /nfs/dbraw/zinc/27/13/03/206271303.db2.gz IGGZQKMKOWBNGZ-HNNXBMFYSA-N 1 1 358.486 1.791 50 0 FDAAMO Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)n(C)n1 ZINC000012229327 206288585 /nfs/dbraw/zinc/28/85/85/206288585.db2.gz NKJIAMDGNUJYJC-UHFFFAOYSA-N 1 1 361.471 1.908 50 0 FDAAMO Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)n(C)n1 ZINC000012229327 206288591 /nfs/dbraw/zinc/28/85/91/206288591.db2.gz NKJIAMDGNUJYJC-UHFFFAOYSA-N 1 1 361.471 1.908 50 0 FDAAMO O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014093317 206307768 /nfs/dbraw/zinc/30/77/68/206307768.db2.gz XRMDTDWILAHFSR-INIZCTEOSA-N 1 1 370.453 1.242 50 0 FDAAMO C[N@@H+](CCCNS(C)(=O)=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000106574806 206310512 /nfs/dbraw/zinc/31/05/12/206310512.db2.gz BLNFMKJPYWYLMH-ZIAGYGMSSA-N 1 1 367.298 1.823 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@H]23)CC1 ZINC000020411646 206330814 /nfs/dbraw/zinc/33/08/14/206330814.db2.gz RZJXEISZQFKAGA-ANPILNASSA-N 1 1 362.514 1.909 50 0 biogenic FDAAMO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@H]23)CC1 ZINC000020411641 206330875 /nfs/dbraw/zinc/33/08/75/206330875.db2.gz RZJXEISZQFKAGA-ASBONYKVSA-N 1 1 362.514 1.909 50 0 biogenic FDAAMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000013693596 206304650 /nfs/dbraw/zinc/30/46/50/206304650.db2.gz GEZKEJHLFNUADH-UHFFFAOYSA-N 1 1 367.409 1.036 50 0 FDAAMO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)Cc1ccccn1 ZINC000215920105 206351124 /nfs/dbraw/zinc/35/11/24/206351124.db2.gz XAFXUUXSLWIOEY-UHFFFAOYSA-N 1 1 355.438 1.951 50 0 FDAAMO COCCn1nnnc1[C@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000215998317 206354051 /nfs/dbraw/zinc/35/40/51/206354051.db2.gz ZEEOBGJLVAZDNL-QGZVFWFLSA-N 1 1 354.414 1.441 50 0 FDAAMO COCCn1nnnc1[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000215998317 206354053 /nfs/dbraw/zinc/35/40/53/206354053.db2.gz ZEEOBGJLVAZDNL-QGZVFWFLSA-N 1 1 354.414 1.441 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)S(=O)(=O)c1cccc(C(=O)NCCF)c1 ZINC000216116753 206355704 /nfs/dbraw/zinc/35/57/04/206355704.db2.gz MCNTZELZPPGTKJ-UHFFFAOYSA-N 1 1 368.434 1.212 50 0 FDAAMO CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1cc(F)ccc1-n1cccn1)CC2 ZINC000216511223 206359735 /nfs/dbraw/zinc/35/97/35/206359735.db2.gz IVVOXCGKLPAQKT-UHFFFAOYSA-N 1 1 368.416 1.995 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCOc2ccc(CN3CCN(C(N)=O)CC3)cc2)C1 ZINC000216409664 206360092 /nfs/dbraw/zinc/36/00/92/206360092.db2.gz XDJOJIPIELFFHN-QGZVFWFLSA-N 1 1 360.502 1.994 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCCN(c4nc(N)cc[nH+]4)C3)CCC2=O)cn1 ZINC000077437835 132185166 /nfs/dbraw/zinc/18/51/66/132185166.db2.gz AACKPFSXCQOBBM-LJQANCHMSA-N 1 1 367.457 1.566 50 0 FDAAMO Nc1nc(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)cc[nH+]1 ZINC000092045776 132205609 /nfs/dbraw/zinc/20/56/09/132205609.db2.gz BSCVZWFSKJAXJR-UHFFFAOYSA-N 1 1 365.445 1.614 50 0 FDAAMO c1nnc2nccc(N3CC[NH+](Cc4ccc5c(c4)OCCO5)CC3)n12 ZINC000097259246 132228306 /nfs/dbraw/zinc/22/83/06/132228306.db2.gz IURGGEXYUOQICA-UHFFFAOYSA-N 1 1 352.398 1.218 50 0 FDAAMO CCOc1ncccc1CNC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000097681928 132230340 /nfs/dbraw/zinc/23/03/40/132230340.db2.gz HASACOODKFZSKL-UHFFFAOYSA-N 1 1 370.457 1.261 50 0 FDAAMO O=C(c1ccco1)N1CCCN(c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000106243548 132240164 /nfs/dbraw/zinc/24/01/64/132240164.db2.gz JVJQPAYQWFRMDQ-OAHLLOKOSA-N 1 1 371.441 1.383 50 0 FDAAMO COc1ccccc1OCC[NH+]1CCN(c2ccnc3nncn32)CC1 ZINC000244674025 132290311 /nfs/dbraw/zinc/29/03/11/132290311.db2.gz HZZUAPFURCSBGJ-UHFFFAOYSA-N 1 1 354.414 1.334 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000071760769 136140468 /nfs/dbraw/zinc/14/04/68/136140468.db2.gz UJGFVDKSKVJNRF-CYBMUJFWSA-N 1 1 369.473 1.312 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000071760769 136140469 /nfs/dbraw/zinc/14/04/69/136140469.db2.gz UJGFVDKSKVJNRF-CYBMUJFWSA-N 1 1 369.473 1.312 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000071760769 136140470 /nfs/dbraw/zinc/14/04/70/136140470.db2.gz UJGFVDKSKVJNRF-CYBMUJFWSA-N 1 1 369.473 1.312 50 0 FDAAMO Cc1cnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1N ZINC000071768063 136140998 /nfs/dbraw/zinc/14/09/98/136140998.db2.gz MURJBMOZGMZWHR-MRXNPFEDSA-N 1 1 372.517 1.670 50 0 FDAAMO COc1nccnc1N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775695 136141145 /nfs/dbraw/zinc/14/11/45/136141145.db2.gz GUAMIIHAHPPVKP-MRXNPFEDSA-N 1 1 373.501 1.788 50 0 FDAAMO COc1cccc(CN2CCN(c3nc(C)nc4c3C[NH2+]C4)CC2=O)c1 ZINC000072169210 136143618 /nfs/dbraw/zinc/14/36/18/136143618.db2.gz DGOWRROBUKSYHD-UHFFFAOYSA-N 1 1 353.426 1.246 50 0 FDAAMO O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072169957 136143629 /nfs/dbraw/zinc/14/36/29/136143629.db2.gz VWTGGORJTQYGNF-CQSZACIVSA-N 1 1 373.432 1.269 50 0 FDAAMO CCc1cc(N2CC[NH+](CCn3cncn3)CC2)n2nc(C)c(C)c2n1 ZINC000072423707 136146320 /nfs/dbraw/zinc/14/63/20/136146320.db2.gz JCZBUFAXCZEHAQ-UHFFFAOYSA-N 1 1 354.462 1.322 50 0 FDAAMO CC(C)[NH+]1CCC(N2CCN(c3ncnc4[nH]cnc43)C[C@@H]2CCO)CC1 ZINC000072428161 136146581 /nfs/dbraw/zinc/14/65/81/136146581.db2.gz ZTODGVARYLCWKM-INIZCTEOSA-N 1 1 373.505 1.099 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(c2nccc(OC)n2)C[C@@H]1CCO ZINC000072431616 136147053 /nfs/dbraw/zinc/14/70/53/136147053.db2.gz KCUSWHZCNODRRZ-KRWDZBQOSA-N 1 1 372.469 1.957 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(c2nccc(OC)n2)C[C@@H]1CCO ZINC000072431616 136147054 /nfs/dbraw/zinc/14/70/54/136147054.db2.gz KCUSWHZCNODRRZ-KRWDZBQOSA-N 1 1 372.469 1.957 50 0 FDAAMO COC(=O)c1cccnc1N1CC[N@H+](Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000072462695 136148619 /nfs/dbraw/zinc/14/86/19/136148619.db2.gz NECITKOFPZPTNQ-KRWDZBQOSA-N 1 1 370.453 1.645 50 0 FDAAMO COC(=O)c1cccnc1N1CC[N@@H+](Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000072462695 136148620 /nfs/dbraw/zinc/14/86/20/136148620.db2.gz NECITKOFPZPTNQ-KRWDZBQOSA-N 1 1 370.453 1.645 50 0 FDAAMO Cc1nc(C2CC[NH+](CC(=O)NC3CC3)CC2)cc(N2CCOCC2)n1 ZINC000072473763 136149016 /nfs/dbraw/zinc/14/90/16/136149016.db2.gz YYNYQKABHDXDDO-UHFFFAOYSA-N 1 1 359.474 1.080 50 0 FDAAMO COc1cccc(C[N@@H+](C)CCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000026899770 136153325 /nfs/dbraw/zinc/15/33/25/136153325.db2.gz RHXQXGJCXIUUEI-UHFFFAOYSA-N 1 1 369.469 1.656 50 0 FDAAMO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCN(c2ccccc2O)CC1 ZINC000028843800 136153525 /nfs/dbraw/zinc/15/35/25/136153525.db2.gz DMMOHZHPIDKWFW-UHFFFAOYSA-N 1 1 374.466 1.703 50 0 FDAAMO Cn1c(C[N@@H+](C)Cc2ccccc2N2CCCCC2)cc(=O)n(C)c1=O ZINC000008728346 518484192 /nfs/dbraw/zinc/48/41/92/518484192.db2.gz OXBWQKKLIFDRDW-UHFFFAOYSA-N 1 1 356.470 1.706 50 0 FDAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000011764285 518572362 /nfs/dbraw/zinc/57/23/62/518572362.db2.gz GFCDVDADBIQKMJ-KRWDZBQOSA-N 1 1 363.506 1.264 50 0 FDAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000012167487 518593028 /nfs/dbraw/zinc/59/30/28/518593028.db2.gz VGSMCPMYQGWHHC-OAHLLOKOSA-N 1 1 357.458 1.550 50 0 FDAAMO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012432001 518612333 /nfs/dbraw/zinc/61/23/33/518612333.db2.gz MFKDDCNWITYIKC-AWEZNQCLSA-N 1 1 363.462 1.827 50 0 FDAAMO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012432001 518612338 /nfs/dbraw/zinc/61/23/38/518612338.db2.gz MFKDDCNWITYIKC-AWEZNQCLSA-N 1 1 363.462 1.827 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[N@H+](C)C3CCN(C)CC3)C2=O)c1 ZINC000012707790 518627589 /nfs/dbraw/zinc/62/75/89/518627589.db2.gz ZJOFRRWBFLWOCB-NRFANRHFSA-N 1 1 359.514 1.875 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000013135947 518650804 /nfs/dbraw/zinc/65/08/04/518650804.db2.gz GJUIMXNTZLFGBV-NVXWUHKLSA-N 1 1 351.443 1.848 50 0 FDAAMO C[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCCCC1 ZINC000014187574 518682213 /nfs/dbraw/zinc/68/22/13/518682213.db2.gz HATFGYOUIAFMKE-UHFFFAOYSA-N 1 1 351.472 1.488 50 0 FDAAMO COc1ccc(OC)c(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000014977431 518703411 /nfs/dbraw/zinc/70/34/11/518703411.db2.gz BJYWACPJNJYJAZ-HNNXBMFYSA-N 1 1 361.486 1.992 50 0 FDAAMO COc1ccc(OC)c(C(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000014977431 518703416 /nfs/dbraw/zinc/70/34/16/518703416.db2.gz BJYWACPJNJYJAZ-HNNXBMFYSA-N 1 1 361.486 1.992 50 0 FDAAMO COCC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1 ZINC000014976507 518703979 /nfs/dbraw/zinc/70/39/79/518703979.db2.gz PIVYZXUVECOUAN-INIZCTEOSA-N 1 1 370.515 1.220 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)CC1 ZINC000019527825 518814385 /nfs/dbraw/zinc/81/43/85/518814385.db2.gz CERZITJOZJDGJR-UHFFFAOYSA-N 1 1 353.488 1.234 50 0 FDAAMO Cc1c(C(=O)OC(C)C)sc2ncnc(N3CC[NH+](CCO)CC3)c12 ZINC000019793933 518835080 /nfs/dbraw/zinc/83/50/80/518835080.db2.gz KIMPAZZGRPNUQY-UHFFFAOYSA-N 1 1 364.471 1.679 50 0 FDAAMO COc1ccc2c(c1)c1ncn(CCC[NH+]3CCOCC3)c(=O)c1n2C ZINC000020518427 518851161 /nfs/dbraw/zinc/85/11/61/518851161.db2.gz AFIQKGQJDGBSIA-UHFFFAOYSA-N 1 1 356.426 1.619 50 0 FDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020560244 518853071 /nfs/dbraw/zinc/85/30/71/518853071.db2.gz YWVWISPGLBCDFC-SFHVURJKSA-N 1 1 372.469 1.414 50 0 FDAAMO Cc1cc(=O)oc2cc(OCC(=O)N3CC[NH+](C)CC3)c(Cl)cc12 ZINC000020591774 518853378 /nfs/dbraw/zinc/85/33/78/518853378.db2.gz LSBVSQUHYXIIPM-UHFFFAOYSA-N 1 1 350.802 1.908 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)NC2CCCCC2)C1 ZINC000022694131 518907590 /nfs/dbraw/zinc/90/75/90/518907590.db2.gz NGRJBKCGPQXWSX-KRWDZBQOSA-N 1 1 368.522 1.481 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000028013599 519213359 /nfs/dbraw/zinc/21/33/59/519213359.db2.gz YONJGYGLNGXKAD-CQSZACIVSA-N 1 1 356.264 1.931 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000030697667 519389248 /nfs/dbraw/zinc/38/92/48/519389248.db2.gz VDUJEHYTFHVWKK-SFHVURJKSA-N 1 1 355.398 1.166 50 0 FDAAMO O=C(CNC(=O)c1ccc(F)cc1F)NCC[N@H+]1CCc2ccccc2C1 ZINC000031339589 519431564 /nfs/dbraw/zinc/43/15/64/519431564.db2.gz HZAYYFAMCMEQJW-UHFFFAOYSA-N 1 1 373.403 1.869 50 0 FDAAMO COc1ccccc1C[N@@H+](C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000032777987 519538815 /nfs/dbraw/zinc/53/88/15/519538815.db2.gz FCJOVLDNNIRKTG-UHFFFAOYSA-N 1 1 369.469 1.656 50 0 FDAAMO CC(=O)c1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000032907372 519549417 /nfs/dbraw/zinc/54/94/17/519549417.db2.gz AGTBDSCPTJIPRI-WMZOPIPTSA-N 1 1 361.442 1.748 50 0 FDAAMO C[C@H](C[NH+]1CCOCC1)C(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000033327077 519587343 /nfs/dbraw/zinc/58/73/43/519587343.db2.gz LPKMRVSHCPZGGD-TYNCELHUSA-N 1 1 363.380 1.594 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNS(=O)(=O)c3cnn(C)c3C)cc2C1 ZINC000082097737 519855144 /nfs/dbraw/zinc/85/51/44/519855144.db2.gz SGKBWUDMNYBAMJ-UHFFFAOYSA-N 1 1 366.491 1.019 50 0 FDAAMO CCCOCC(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091390772 520234634 /nfs/dbraw/zinc/23/46/34/520234634.db2.gz SAVGWSCXCASJHX-MRXNPFEDSA-N 1 1 351.491 1.348 50 0 FDAAMO Cc1nnc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071760354 522127537 /nfs/dbraw/zinc/12/75/37/522127537.db2.gz GNRZFQMUXUTWTN-MRXNPFEDSA-N 1 1 361.490 1.677 50 0 FDAAMO Cc1cncc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071754414 522128198 /nfs/dbraw/zinc/12/81/98/522128198.db2.gz VEVMOECEHWHGIZ-INIZCTEOSA-N 1 1 370.497 1.985 50 0 FDAAMO CCOCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071763150 522128625 /nfs/dbraw/zinc/12/86/25/522128625.db2.gz VQTAXACPXMCHNE-IBGZPJMESA-N 1 1 374.529 1.911 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ncccc3C)CC2)C1 ZINC000071767983 522130676 /nfs/dbraw/zinc/13/06/76/522130676.db2.gz NYFRSKPANHFIEP-GOSISDBHSA-N 1 1 374.529 1.829 50 0 FDAAMO CC(C)n1cnnc1CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071763049 522130933 /nfs/dbraw/zinc/13/09/33/522130933.db2.gz NYIQMGZVRBOQQX-INIZCTEOSA-N 1 1 362.522 1.624 50 0 FDAAMO CC(C)N(Cc1nccn1C)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071764696 522131107 /nfs/dbraw/zinc/13/11/07/522131107.db2.gz OCONXMIJYHCQCP-KRWDZBQOSA-N 1 1 361.534 1.963 50 0 FDAAMO O=C(Cc1cccnc1)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071780071 522132281 /nfs/dbraw/zinc/13/22/81/522132281.db2.gz BGHRHDQMGGGDQE-KRWDZBQOSA-N 1 1 370.497 1.606 50 0 FDAAMO O=C(C1CC1)N1CCc2c(ncnc2NCC[N@@H+]2CCCC[C@@H]2CO)C1 ZINC000071776967 522133066 /nfs/dbraw/zinc/13/30/66/522133066.db2.gz OBBSEDHTGHQCGJ-OAHLLOKOSA-N 1 1 359.474 1.030 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)[nH]1 ZINC000072125258 522157059 /nfs/dbraw/zinc/15/70/59/522157059.db2.gz RGCOWMYKWWCFNN-DBWAAGBOSA-N 1 1 358.486 1.562 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1ccncc1)C1CC1 ZINC000072123814 522157294 /nfs/dbraw/zinc/15/72/94/522157294.db2.gz OPPGMNGSUXVZOJ-GOSISDBHSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1ccncc1)C1CC1 ZINC000072123814 522157302 /nfs/dbraw/zinc/15/73/02/522157302.db2.gz OPPGMNGSUXVZOJ-GOSISDBHSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000072133947 522162333 /nfs/dbraw/zinc/16/23/33/522162333.db2.gz GSASCAOBZYCTFL-QGZVFWFLSA-N 1 1 373.501 1.408 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000072133947 522162337 /nfs/dbraw/zinc/16/23/37/522162337.db2.gz GSASCAOBZYCTFL-QGZVFWFLSA-N 1 1 373.501 1.408 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)C1 ZINC000072132988 522162744 /nfs/dbraw/zinc/16/27/44/522162744.db2.gz NJKHMFSOQYCSHO-CQSZACIVSA-N 1 1 353.426 1.058 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)N1CCc2n[nH]cc2C1 ZINC000072143588 522167415 /nfs/dbraw/zinc/16/74/15/522167415.db2.gz FCDFMWCBKRVCDM-KRWDZBQOSA-N 1 1 359.474 1.065 50 0 FDAAMO Cc1cc(F)ccc1CC(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000072153280 522181347 /nfs/dbraw/zinc/18/13/47/522181347.db2.gz XZNGXIREEUYEHF-SFHVURJKSA-N 1 1 370.428 1.188 50 0 FDAAMO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072407630 522236321 /nfs/dbraw/zinc/23/63/21/522236321.db2.gz ZIHAZGDIYAIUSW-HNNXBMFYSA-N 1 1 373.505 1.183 50 0 FDAAMO O[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(CN4CCOCC4)c3)CC2)C1 ZINC000072418001 522245318 /nfs/dbraw/zinc/24/53/18/522245318.db2.gz LAWXROMCYSFISS-JOCHJYFZSA-N 1 1 373.541 1.940 50 0 FDAAMO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3c(C)nn(C)c3Cl)CC[C@H]21 ZINC000072418174 522248602 /nfs/dbraw/zinc/24/86/02/522248602.db2.gz QEFVLSPUUNJAQW-DZGCQCFKSA-N 1 1 353.898 1.414 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CCCOC)C1 ZINC000072432809 522269785 /nfs/dbraw/zinc/26/97/85/522269785.db2.gz ASWCGBVSGVPGSZ-JKSUJKDBSA-N 1 1 362.474 1.322 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(NCCNC(=O)Cc2ccc(F)cc2)ncn1 ZINC000072434125 522272067 /nfs/dbraw/zinc/27/20/67/522272067.db2.gz QYZZWEKHKBENDQ-UHFFFAOYSA-N 1 1 354.389 1.881 50 0 FDAAMO CNc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cs1 ZINC000091526589 522681503 /nfs/dbraw/zinc/68/15/03/522681503.db2.gz AZYAFAIKIVZCQZ-QGZVFWFLSA-N 1 1 352.504 1.772 50 0 FDAAMO CNc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cs1 ZINC000091526589 522681509 /nfs/dbraw/zinc/68/15/09/522681509.db2.gz AZYAFAIKIVZCQZ-QGZVFWFLSA-N 1 1 352.504 1.772 50 0 FDAAMO COCCC[N@@H+](C)CCNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000076022933 523010440 /nfs/dbraw/zinc/01/04/40/523010440.db2.gz YCTPCEWZNUDYLB-UHFFFAOYSA-N 1 1 353.463 1.895 50 0 FDAAMO CCOCCn1c2ccc(C(=O)N3CC[N@H+](C)C(C)(C)C3)cc2[nH]c1=O ZINC000077484927 523356520 /nfs/dbraw/zinc/35/65/20/523356520.db2.gz SGJUUCVNUDXTEL-UHFFFAOYSA-N 1 1 360.458 1.532 50 0 FDAAMO CCOCCn1c2ccc(C(=O)N3CC[N@@H+](C)C(C)(C)C3)cc2[nH]c1=O ZINC000077484927 523356533 /nfs/dbraw/zinc/35/65/33/523356533.db2.gz SGJUUCVNUDXTEL-UHFFFAOYSA-N 1 1 360.458 1.532 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)NCC3([NH+]4CCOCC4)CCCC3)cnc21 ZINC000077540340 523377748 /nfs/dbraw/zinc/37/77/48/523377748.db2.gz OHZHXPYIASTPMK-UHFFFAOYSA-N 1 1 372.473 1.408 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](CCCOCc2ccccc2)C[C@H]1O)c1ccccn1 ZINC000077539473 523377920 /nfs/dbraw/zinc/37/79/20/523377920.db2.gz NIKIIEUYTDODBT-UYAOXDASSA-N 1 1 369.465 1.854 50 0 FDAAMO OCC1(Cc2ccccc2)CCN(c2nc(N3CC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000067965460 523651742 /nfs/dbraw/zinc/65/17/42/523651742.db2.gz MWHMPFNWDXWLFK-GOSISDBHSA-N 1 1 368.481 1.869 50 0 FDAAMO C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCN(Cc2nccs2)C3)CC1 ZINC000082156033 523871633 /nfs/dbraw/zinc/87/16/33/523871633.db2.gz SUBYMNSIHOXUQZ-UHFFFAOYSA-N 1 1 374.514 1.062 50 0 FDAAMO CN(C)C(=O)N1CCCn2nc(CNc3[nH+]cnc4[nH]ccc43)cc2C1 ZINC000082083788 524207356 /nfs/dbraw/zinc/20/73/56/524207356.db2.gz GZVNPXMBMKFKOU-UHFFFAOYSA-N 1 1 354.418 1.654 50 0 FDAAMO CCc1ccc(C[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)cc1 ZINC000082100210 524210567 /nfs/dbraw/zinc/21/05/67/524210567.db2.gz FVMFZGWKOYSDCB-UHFFFAOYSA-N 1 1 362.499 1.901 50 0 FDAAMO CCc1ccc(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)cc1 ZINC000082100210 524210570 /nfs/dbraw/zinc/21/05/70/524210570.db2.gz FVMFZGWKOYSDCB-UHFFFAOYSA-N 1 1 362.499 1.901 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000089484459 524507811 /nfs/dbraw/zinc/50/78/11/524507811.db2.gz AAMTWQJWVWOOGP-WBVHZDCISA-N 1 1 369.531 1.133 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)CC1 ZINC000091350876 524694830 /nfs/dbraw/zinc/69/48/30/524694830.db2.gz LHMHONSGAZXYEQ-UHFFFAOYSA-N 1 1 368.485 1.873 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccn(C)n1)CC2 ZINC000091468605 524710945 /nfs/dbraw/zinc/71/09/45/524710945.db2.gz GXCSFNILQOYBNJ-UHFFFAOYSA-N 1 1 356.474 1.933 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](C[C@@H](C)C(F)(F)F)CC2 ZINC000091519217 524718648 /nfs/dbraw/zinc/71/86/48/524718648.db2.gz DVJGOBJWXLKZLI-GFCCVEGCSA-N 1 1 374.407 1.930 50 0 FDAAMO Cc1ccc(-n2cccn2)cc1S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](C)C2 ZINC000091602869 524738614 /nfs/dbraw/zinc/73/86/14/524738614.db2.gz LAMZJXDBLHGPRD-NVXWUHKLSA-N 1 1 360.483 1.895 50 0 FDAAMO CCc1nc(C)sc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091644960 524751129 /nfs/dbraw/zinc/75/11/29/524751129.db2.gz AWCDAHKEOKIGET-QGZVFWFLSA-N 1 1 350.488 1.440 50 0 FDAAMO CCc1nc(C)sc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091644960 524751137 /nfs/dbraw/zinc/75/11/37/524751137.db2.gz AWCDAHKEOKIGET-QGZVFWFLSA-N 1 1 350.488 1.440 50 0 FDAAMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c(C)s1 ZINC000091645031 524751656 /nfs/dbraw/zinc/75/16/56/524751656.db2.gz AEVLZWAZIRZDAT-INIZCTEOSA-N 1 1 371.528 1.340 50 0 FDAAMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)c(C)s1 ZINC000091645031 524751669 /nfs/dbraw/zinc/75/16/69/524751669.db2.gz AEVLZWAZIRZDAT-INIZCTEOSA-N 1 1 371.528 1.340 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2cccnc2)CC3)C1 ZINC000091643241 524752681 /nfs/dbraw/zinc/75/26/81/524752681.db2.gz ARPUQVQEXWKYSO-QGZVFWFLSA-N 1 1 356.470 1.631 50 0 FDAAMO Cn1c(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc2ccccc21 ZINC000091745791 524771929 /nfs/dbraw/zinc/77/19/29/524771929.db2.gz GATVIONDBCCDJT-IAGOWNOFSA-N 1 1 357.454 1.191 50 0 FDAAMO CCC[C@H]1C[N@@H+](CCCn2cc(C)cn2)C[C@@H]1NS(=O)(=O)C1CC1 ZINC000091746891 524772839 /nfs/dbraw/zinc/77/28/39/524772839.db2.gz DWUHXLVPZIMHSO-RDJZCZTQSA-N 1 1 354.520 1.764 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091782157 524784736 /nfs/dbraw/zinc/78/47/36/524784736.db2.gz NOHNNJVPYFZGFL-HXUWFJFHSA-N 1 1 354.454 1.745 50 0 FDAAMO CSCCC[N@H+]1C[C@H](NC(=O)c2cccn(C)c2=O)[C@@H](C(C)C)C1 ZINC000091807311 524788612 /nfs/dbraw/zinc/78/86/12/524788612.db2.gz BERQLBKZMJRGIZ-CVEARBPZSA-N 1 1 351.516 1.825 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C[C@H]1CN1CCOCC1 ZINC000091807842 524789005 /nfs/dbraw/zinc/78/90/05/524789005.db2.gz KLEGIOAURRAECX-QZTJIDSGSA-N 1 1 374.460 1.384 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cccnc3)C2)C1=O ZINC000092107102 524848475 /nfs/dbraw/zinc/84/84/75/524848475.db2.gz RYGQDKGGAOPXKO-LJQANCHMSA-N 1 1 360.458 1.371 50 0 FDAAMO C[N@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@]12CCNC(=O)CC2 ZINC000095371494 525044723 /nfs/dbraw/zinc/04/47/23/525044723.db2.gz HXPKUYBJXPLDNV-FQEVSTJZSA-N 1 1 371.460 1.798 50 0 FDAAMO Cc1cc(C)c2c(ncnc2NC2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000095385181 525058840 /nfs/dbraw/zinc/05/88/40/525058840.db2.gz FOOYPBDSANEREV-UHFFFAOYSA-N 1 1 354.458 1.797 50 0 FDAAMO Cc1cc(C)nc(NCCC(=O)N2CC[NH+](CCc3ccncc3)CC2)n1 ZINC000095475019 525075101 /nfs/dbraw/zinc/07/51/01/525075101.db2.gz IYQXRAFZEJYGHA-UHFFFAOYSA-N 1 1 368.485 1.677 50 0 FDAAMO COc1ccc(CN2CCCOCC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095499076 525084375 /nfs/dbraw/zinc/08/43/75/525084375.db2.gz XKTGMZFLXOAVLC-SFHVURJKSA-N 1 1 364.486 1.753 50 0 FDAAMO O=C(CCC1CCN(C(=O)CO)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095506883 525090844 /nfs/dbraw/zinc/09/08/44/525090844.db2.gz DKPFMYJRKNFXGM-IBGZPJMESA-N 1 1 373.497 1.388 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn3cccnc3n1)CC2 ZINC000095509986 525094052 /nfs/dbraw/zinc/09/40/52/525094052.db2.gz FCVAUXCWUMZTAU-UHFFFAOYSA-N 1 1 365.441 1.462 50 0 FDAAMO C[N@H+]1CCCN(c2cnn(CCn3cnc4ccccc43)c(=O)c2)CC1 ZINC000095517314 525095581 /nfs/dbraw/zinc/09/55/81/525095581.db2.gz MJJUTIMTRKZATI-UHFFFAOYSA-N 1 1 352.442 1.435 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)N1CCc2onc(C(=O)N(C)C)c2C1)[NH+](C)C ZINC000095524809 525100599 /nfs/dbraw/zinc/10/05/99/525100599.db2.gz ICJNXYBWMVBZTB-SFHVURJKSA-N 1 1 370.453 1.872 50 0 FDAAMO O=C([O-])C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095526633 525102417 /nfs/dbraw/zinc/10/24/17/525102417.db2.gz ZVRRYJJGWNRHPD-LJQANCHMSA-N 1 1 373.497 1.908 50 0 FDAAMO O=C([O-])C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095526633 525102424 /nfs/dbraw/zinc/10/24/24/525102424.db2.gz ZVRRYJJGWNRHPD-LJQANCHMSA-N 1 1 373.497 1.908 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000095527154 525103016 /nfs/dbraw/zinc/10/30/16/525103016.db2.gz XAOBWVPYZTXOTP-HNNXBMFYSA-N 1 1 358.486 1.728 50 0 FDAAMO Cc1cc(C)n(-c2cccc(C(=O)NCC[N@H+]3CCC[C@@H](CO)C3)c2)n1 ZINC000096130287 525138056 /nfs/dbraw/zinc/13/80/56/525138056.db2.gz NTWSAPNSEKZJBT-QGZVFWFLSA-N 1 1 356.470 1.923 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2OC(F)F)C[N@@H+]1C ZINC000096140503 525139421 /nfs/dbraw/zinc/13/94/21/525139421.db2.gz FKSBFOFDCLQQLL-OCCSQVGLSA-N 1 1 369.412 1.959 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2OC(F)F)C[N@H+]1C ZINC000096140503 525139431 /nfs/dbraw/zinc/13/94/31/525139431.db2.gz FKSBFOFDCLQQLL-OCCSQVGLSA-N 1 1 369.412 1.959 50 0 FDAAMO COc1ccc(Cc2nc([C@H]3CNCCO3)n(C3CC[NH+](C)CC3)n2)cc1 ZINC000096149656 525141579 /nfs/dbraw/zinc/14/15/79/525141579.db2.gz HEFKUYNOEHCJDO-GOSISDBHSA-N 1 1 371.485 1.805 50 0 FDAAMO COC(=O)c1cccc(NC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)c1 ZINC000096163088 525143867 /nfs/dbraw/zinc/14/38/67/525143867.db2.gz GFRXDEOMNWLLTF-QGZVFWFLSA-N 1 1 361.442 1.784 50 0 FDAAMO CCc1[nH+]ccn1Cc1nc(CC(N)=O)nn1-c1cccc2c1CCC2 ZINC000096161275 525144979 /nfs/dbraw/zinc/14/49/79/525144979.db2.gz ICABCEYGZJKTND-UHFFFAOYSA-N 1 1 350.426 1.591 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1nnn(Cc2ccccc2)c1Cl ZINC000096183320 525147576 /nfs/dbraw/zinc/14/75/76/525147576.db2.gz UMALRHXHNNDXFO-UHFFFAOYSA-N 1 1 363.849 1.432 50 0 FDAAMO O=C(Cn1cccnc1=O)NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000097402450 525184188 /nfs/dbraw/zinc/18/41/88/525184188.db2.gz JAEVMGDPPKOEPV-GOSISDBHSA-N 1 1 354.454 1.314 50 0 FDAAMO Cc1ccc(N(C)C)cc1NC(=O)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097522217 525186741 /nfs/dbraw/zinc/18/67/41/525186741.db2.gz VRZZRBINDJCRIB-ROUUACIJSA-N 1 1 362.474 1.360 50 0 FDAAMO Cc1ccc(N(C)C)cc1NC(=O)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097522217 525186749 /nfs/dbraw/zinc/18/67/49/525186749.db2.gz VRZZRBINDJCRIB-ROUUACIJSA-N 1 1 362.474 1.360 50 0 FDAAMO O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101183374 525218652 /nfs/dbraw/zinc/21/86/52/525218652.db2.gz RHEZTYQRAMSEBZ-ROUUACIJSA-N 1 1 367.449 1.282 50 0 FDAAMO Cc1cc(=O)oc2c(C)c(OCC(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020546896 526146112 /nfs/dbraw/zinc/14/61/12/526146112.db2.gz MMISHCQGVDEWPQ-UHFFFAOYSA-N 1 1 374.437 1.627 50 0 FDAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccco1 ZINC000019831364 527408996 /nfs/dbraw/zinc/40/89/96/527408996.db2.gz ZPDVFCMHBYWBHW-UHFFFAOYSA-N 1 1 357.410 1.984 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cc(C)ncn3)CC2)n1C ZINC000091535195 527450032 /nfs/dbraw/zinc/45/00/32/527450032.db2.gz LACGFYMYSRLUES-UHFFFAOYSA-N 1 1 352.446 1.851 50 0 FDAAMO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096472 527610492 /nfs/dbraw/zinc/61/04/92/527610492.db2.gz SBVCEHBYPDXHIO-DOTOQJQBSA-N 1 1 351.878 1.391 50 0 FDAAMO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000091452794 527628348 /nfs/dbraw/zinc/62/83/48/527628348.db2.gz CGXWTZDQYXOXTE-IBGZPJMESA-N 1 1 358.486 1.969 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000020209005 527672793 /nfs/dbraw/zinc/67/27/93/527672793.db2.gz PFXLQUCODCCYDQ-UHFFFAOYSA-N 1 1 363.849 1.432 50 0 FDAAMO O=C(NCCCO)[C@@H]1CCC[N@@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091493710 527679360 /nfs/dbraw/zinc/67/93/60/527679360.db2.gz LWKWVRKDPKLXHW-CYBMUJFWSA-N 1 1 361.417 1.378 50 0 FDAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc2nccn2c1 ZINC000183392267 535971770 /nfs/dbraw/zinc/97/17/70/535971770.db2.gz UDZBNWUXWDCULD-SFHVURJKSA-N 1 1 350.422 1.831 50 0 FDAAMO CC[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000185331644 536205651 /nfs/dbraw/zinc/20/56/51/536205651.db2.gz YPJMLFBZDVHORC-IBGZPJMESA-N 1 1 373.497 1.748 50 0 FDAAMO Cc1nc2ccc(CC(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)cc2[nH]1 ZINC000222234500 537504414 /nfs/dbraw/zinc/50/44/14/537504414.db2.gz GCUGHUCDKMDSPC-OHNRDTAOSA-N 1 1 353.426 1.776 50 0 FDAAMO O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000222442315 537508205 /nfs/dbraw/zinc/50/82/05/537508205.db2.gz ACFHUILOWGVSPO-QZTJIDSGSA-N 1 1 356.422 1.718 50 0 FDAAMO O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000222442315 537508212 /nfs/dbraw/zinc/50/82/12/537508212.db2.gz ACFHUILOWGVSPO-QZTJIDSGSA-N 1 1 356.422 1.718 50 0 FDAAMO CCc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(=O)[nH]1 ZINC000222824172 537512863 /nfs/dbraw/zinc/51/28/63/537512863.db2.gz LWGNFPVXYOMKAI-MRXNPFEDSA-N 1 1 369.469 1.359 50 0 FDAAMO CCc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(=O)[nH]1 ZINC000222824172 537512870 /nfs/dbraw/zinc/51/28/70/537512870.db2.gz LWGNFPVXYOMKAI-MRXNPFEDSA-N 1 1 369.469 1.359 50 0 FDAAMO CCn1c(=O)[nH]c2cc(C(=O)NCC[N@H+]3CCCC(C)(C)C3)ccc2c1=O ZINC000225529042 537552308 /nfs/dbraw/zinc/55/23/08/537552308.db2.gz VYFWXGZJEUDBEH-UHFFFAOYSA-N 1 1 372.469 1.562 50 0 FDAAMO CCNc1ncc(C(=O)N2CCCC[C@H]2CCN2CC[NH+](C)CC2)cn1 ZINC000299777808 537594598 /nfs/dbraw/zinc/59/45/98/537594598.db2.gz CQLSSSQTDGOYPW-KRWDZBQOSA-N 1 1 360.506 1.541 50 0 FDAAMO COCC(=O)Nc1ccc(C)c(NC(=O)NC[C@@H]2COCC[N@@H+](C)C2)c1 ZINC000299777654 537595169 /nfs/dbraw/zinc/59/51/69/537595169.db2.gz NGKUZPBACVFXJA-AWEZNQCLSA-N 1 1 364.446 1.280 50 0 FDAAMO Cc1cc(C)n(-c2ccccc2C[N@H+]2CCCN(S(C)(=O)=O)CC2)n1 ZINC000244840206 537653470 /nfs/dbraw/zinc/65/34/70/537653470.db2.gz UIORHLMNYKMLNP-UHFFFAOYSA-N 1 1 362.499 1.956 50 0 FDAAMO Cc1nonc1N1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000244873091 537654217 /nfs/dbraw/zinc/65/42/17/537654217.db2.gz WJXZOUIJSVEFQA-QGZVFWFLSA-N 1 1 355.442 1.516 50 0 FDAAMO Cc1nnc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)n1C1CC1 ZINC000285566293 537730947 /nfs/dbraw/zinc/73/09/47/537730947.db2.gz ZIYFWRQKMKOEIC-QGZVFWFLSA-N 1 1 354.458 1.849 50 0 FDAAMO CC(C)[NH+]1CCC(CC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)CC1 ZINC000584894409 551565987 /nfs/dbraw/zinc/56/59/87/551565987.db2.gz GDGRYHZXTCXKBZ-IBGZPJMESA-N 1 1 351.535 1.802 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000618256590 555600424 /nfs/dbraw/zinc/60/04/24/555600424.db2.gz KJQJTDQGXARDCO-HNNXBMFYSA-N 1 1 371.528 1.110 50 0 FDAAMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000626441715 557083175 /nfs/dbraw/zinc/08/31/75/557083175.db2.gz AEHQNWXEMUXRPY-VNQPRFMTSA-N 1 1 361.446 1.286 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2nccnc2OC)c1 ZINC000426538681 570614762 /nfs/dbraw/zinc/61/47/62/570614762.db2.gz WSQVCNGRRZUDTH-HOTGVXAUSA-N 1 1 356.426 1.601 50 0 FDAAMO Cc1nc(C[C@H]2CCCN(C(=O)c3cnc(C4CC[NH2+]CC4)[nH]3)C2)no1 ZINC000685941951 571101717 /nfs/dbraw/zinc/10/17/17/571101717.db2.gz JZDSNJQWSSOASK-CYBMUJFWSA-N 1 1 358.446 1.663 50 0 FDAAMO O=C(C1CC1)N1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000244715795 571115132 /nfs/dbraw/zinc/11/51/32/571115132.db2.gz LCKZKEQXAXNWGV-IBGZPJMESA-N 1 1 370.497 1.907 50 0 FDAAMO O=C(C1CC1)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000244715795 571115134 /nfs/dbraw/zinc/11/51/34/571115134.db2.gz LCKZKEQXAXNWGV-IBGZPJMESA-N 1 1 370.497 1.907 50 0 FDAAMO COc1cccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)c1 ZINC000252486847 571132767 /nfs/dbraw/zinc/13/27/67/571132767.db2.gz HPIDQJAZYCAGQT-RTBURBONSA-N 1 1 371.437 1.221 50 0 FDAAMO COc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)c1 ZINC000252486847 571132769 /nfs/dbraw/zinc/13/27/69/571132769.db2.gz HPIDQJAZYCAGQT-RTBURBONSA-N 1 1 371.437 1.221 50 0 FDAAMO Nc1nc([C@H]2C[C@@H](NC(=O)C[N@@H+]3CCc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000253534824 571136431 /nfs/dbraw/zinc/13/64/31/571136431.db2.gz HVBNCCNZMYCUAF-GASCZTMLSA-N 1 1 353.426 1.185 50 0 FDAAMO Nc1nc([C@H]2C[C@@H](NC(=O)C[N@H+]3CCc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000253534824 571136434 /nfs/dbraw/zinc/13/64/34/571136434.db2.gz HVBNCCNZMYCUAF-GASCZTMLSA-N 1 1 353.426 1.185 50 0 FDAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C=O)CC2)C1 ZINC000261491012 571164447 /nfs/dbraw/zinc/16/44/47/571164447.db2.gz WVUYLRHTWQKHHO-INIZCTEOSA-N 1 1 369.469 1.086 50 0 FDAAMO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CCS(=O)(=O)CC1 ZINC000299758914 571192909 /nfs/dbraw/zinc/19/29/09/571192909.db2.gz LQELMKSAUIOZNP-UHFFFAOYSA-N 1 1 350.484 1.546 50 0 FDAAMO C[N@H+](CCC(=O)NCc1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000299762756 571193992 /nfs/dbraw/zinc/19/39/92/571193992.db2.gz XOGNJWXEPZTGGZ-GOSISDBHSA-N 1 1 364.511 1.691 50 0 FDAAMO C[N@@H+](CCC(=O)NCc1ccc2c(c1)CCCC2)[C@@H]1CCS(=O)(=O)C1 ZINC000299762756 571193994 /nfs/dbraw/zinc/19/39/94/571193994.db2.gz XOGNJWXEPZTGGZ-GOSISDBHSA-N 1 1 364.511 1.691 50 0 FDAAMO O=c1cc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc2ccc(Cl)cn12 ZINC000299763660 571194053 /nfs/dbraw/zinc/19/40/53/571194053.db2.gz ZCTJLJKMTHLPMO-GJZGRUSLSA-N 1 1 372.816 1.285 50 0 FDAAMO O=c1cc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)nc2ccc(Cl)cn12 ZINC000299763660 571194054 /nfs/dbraw/zinc/19/40/54/571194054.db2.gz ZCTJLJKMTHLPMO-GJZGRUSLSA-N 1 1 372.816 1.285 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000299766579 571194836 /nfs/dbraw/zinc/19/48/36/571194836.db2.gz DAAWGPPCPBPCRR-ZFWWWQNUSA-N 1 1 364.837 1.761 50 0 FDAAMO C[C@@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1cnn(-c2ccccc2F)c1 ZINC000299766909 571194931 /nfs/dbraw/zinc/19/49/31/571194931.db2.gz CMYOAKDJUXUGPW-OAHLLOKOSA-N 1 1 359.449 1.826 50 0 FDAAMO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000299785869 571199124 /nfs/dbraw/zinc/19/91/24/571199124.db2.gz KVAHBXGCTFPJNQ-MRXNPFEDSA-N 1 1 366.425 1.988 50 0 FDAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000299787894 571199892 /nfs/dbraw/zinc/19/98/92/571199892.db2.gz SWVYSBLPPUVGCW-GOSISDBHSA-N 1 1 360.502 1.062 50 0 FDAAMO CN(CCC(=O)N1CCN(Cc2cccc(O)c2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000299787894 571199895 /nfs/dbraw/zinc/19/98/95/571199895.db2.gz SWVYSBLPPUVGCW-GOSISDBHSA-N 1 1 360.502 1.062 50 0 FDAAMO CN(CCC(=O)N1CCN(Cc2cccc(O)c2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000299787894 571199898 /nfs/dbraw/zinc/19/98/98/571199898.db2.gz SWVYSBLPPUVGCW-GOSISDBHSA-N 1 1 360.502 1.062 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ncccn3)c2)C1 ZINC000299792962 571201230 /nfs/dbraw/zinc/20/12/30/571201230.db2.gz HOVJRQSUVORSNF-INIZCTEOSA-N 1 1 353.426 1.071 50 0 FDAAMO COc1nc2ccccc2nc1CCC(=O)N1CC[N@H+](C)[C@@H](CCO)C1 ZINC000426382683 571217376 /nfs/dbraw/zinc/21/73/76/571217376.db2.gz KYGBBTMSXJYYSQ-AWEZNQCLSA-N 1 1 358.442 1.096 50 0 FDAAMO COc1nc2ccccc2nc1CCC(=O)N1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000426382683 571217378 /nfs/dbraw/zinc/21/73/78/571217378.db2.gz KYGBBTMSXJYYSQ-AWEZNQCLSA-N 1 1 358.442 1.096 50 0 FDAAMO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1n[nH]c(-c2ccccc2)n1 ZINC000426419902 571222556 /nfs/dbraw/zinc/22/25/56/571222556.db2.gz DACACYSYJKSWKP-OAHLLOKOSA-N 1 1 365.441 1.452 50 0 FDAAMO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1nc(-c2ccccc2)n[nH]1 ZINC000426419902 571222558 /nfs/dbraw/zinc/22/25/58/571222558.db2.gz DACACYSYJKSWKP-OAHLLOKOSA-N 1 1 365.441 1.452 50 0 FDAAMO Cc1cc(C)n(C2CN(C(=O)NCC3([NH+]4CCOCC4)CCCC3)C2)n1 ZINC000426489488 571228065 /nfs/dbraw/zinc/22/80/65/571228065.db2.gz DDZZZZKIZPXTKX-UHFFFAOYSA-N 1 1 361.490 1.711 50 0 FDAAMO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CCN(C2CCOCC2)CC1 ZINC000426535427 571230812 /nfs/dbraw/zinc/23/08/12/571230812.db2.gz IKMCTBAUKMGCEO-UHFFFAOYSA-N 1 1 367.877 1.614 50 0 FDAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](CCOCCO)C2 ZINC000426628121 571233779 /nfs/dbraw/zinc/23/37/79/571233779.db2.gz DNUQGTLQBHJGMY-IBGZPJMESA-N 1 1 368.424 1.788 50 0 FDAAMO COc1cc(-c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)nc(OC)n1 ZINC000426691123 571235417 /nfs/dbraw/zinc/23/54/17/571235417.db2.gz CCHAGDAKIASRBF-UHFFFAOYSA-N 1 1 356.426 1.939 50 0 FDAAMO OCCNc1nc(NCc2ccnc3ccccc23)cc([C@H]2CCOC2)[nH+]1 ZINC000426693763 571235536 /nfs/dbraw/zinc/23/55/36/571235536.db2.gz OGNDKDDAFTUCPF-HNNXBMFYSA-N 1 1 365.437 1.389 50 0 FDAAMO CCOC(=O)c1cnn(-c2ccccc2Cl)c1C[NH2+]CCNC(C)=O ZINC000014992716 670627110 /nfs/dbraw/zinc/62/71/10/670627110.db2.gz ICWSKTHVTGYVJU-UHFFFAOYSA-N 1 1 364.833 1.928 50 0 FDAAMO CC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000022853511 670698465 /nfs/dbraw/zinc/69/84/65/670698465.db2.gz NTXZCIQKPUWLTE-KRWDZBQOSA-N 1 1 351.491 1.134 50 0 FDAAMO CC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000022853511 670698470 /nfs/dbraw/zinc/69/84/70/670698470.db2.gz NTXZCIQKPUWLTE-KRWDZBQOSA-N 1 1 351.491 1.134 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@H](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000169782024 672040884 /nfs/dbraw/zinc/04/08/84/672040884.db2.gz GIEKUPPGRFXQIB-HNNXBMFYSA-N 1 1 353.488 1.584 50 0 FDAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)Cc1cccs1)CC2 ZINC000169789494 672042334 /nfs/dbraw/zinc/04/23/34/672042334.db2.gz MBARCZUDVUJKAD-OAHLLOKOSA-N 1 1 352.500 1.470 50 0 FDAAMO C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000188798974 672298927 /nfs/dbraw/zinc/29/89/27/672298927.db2.gz MDVAJDGDJRQMIB-ZDUSSCGKSA-N 1 1 367.471 1.435 50 0 FDAAMO C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000188798974 672298929 /nfs/dbraw/zinc/29/89/29/672298929.db2.gz MDVAJDGDJRQMIB-ZDUSSCGKSA-N 1 1 367.471 1.435 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccccc1 ZINC000279346975 675280197 /nfs/dbraw/zinc/28/01/97/675280197.db2.gz CDJVHRIHPHYPIJ-DLBZAZTESA-N 1 1 365.499 1.316 50 0 FDAAMO CN(CCC[NH+]1CCOCC1)c1nc2nonc2nc1NC1CCCC1 ZINC000019635672 792305373 /nfs/dbraw/zinc/30/53/73/792305373.db2.gz FJHUOQZPKULVJP-UHFFFAOYSA-N 1 1 361.450 1.526 50 0 FDAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257180400 793897229 /nfs/dbraw/zinc/89/72/29/793897229.db2.gz KSCXGVZJWMCBKO-SFHVURJKSA-N 1 1 358.486 1.716 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1)N1CCCC1 ZINC000257196921 794064550 /nfs/dbraw/zinc/06/45/50/794064550.db2.gz ZCRCLKZHBWTLJA-SFHVURJKSA-N 1 1 358.486 1.812 50 0 FDAAMO Cc1cc(C[N@H+]2CCC[C@H](c3cc4n(n3)CCCN(C)C4=O)C2)n(C)n1 ZINC000675009078 795199360 /nfs/dbraw/zinc/19/93/60/795199360.db2.gz FJEHZIUUKOQVAN-HNNXBMFYSA-N 1 1 356.474 1.780 50 0 FDAAMO Cc1nc(C(=O)N2CCC3(C[C@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)co1 ZINC000675009241 795200329 /nfs/dbraw/zinc/20/03/29/795200329.db2.gz BKQQBIIZVFROCJ-MRXNPFEDSA-N 1 1 360.458 1.532 50 0 FDAAMO O=C(c1cccnc1)N1CCc2nc[nH]c2[C@@H]1C1CC[NH+](CCCO)CC1 ZINC000675012978 795215940 /nfs/dbraw/zinc/21/59/40/795215940.db2.gz VYSZXNLNCPHOOZ-IBGZPJMESA-N 1 1 369.469 1.639 50 0 FDAAMO CN1CCN(CCOc2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)CC1 ZINC000662758025 803078308 /nfs/dbraw/zinc/07/83/08/803078308.db2.gz PGBIPICJTVEHJM-UHFFFAOYSA-N 1 1 372.513 1.913 50 0 FDAAMO O[C@H]1CCC[N@H+](C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)C1 ZINC000012455508 882109531 /nfs/dbraw/zinc/10/95/31/882109531.db2.gz CEFHVDCTTFMBTP-AWEZNQCLSA-N 1 1 373.461 1.039 50 0 FDAAMO CCC[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)N1CCCCCC1 ZINC000012204857 877184272 /nfs/dbraw/zinc/18/42/72/877184272.db2.gz BEPFMGOSDJTTFC-ZBFHGGJFSA-N 1 1 363.462 1.493 50 0 FDAAMO Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@@H](c2cnn(C)c2)[NH+](C)C)c1 ZINC000073796827 879830690 /nfs/dbraw/zinc/83/06/90/879830690.db2.gz OWYBOYRBGSGZDN-SFHVURJKSA-N 1 1 369.469 1.888 50 0 FDAAMO Cn1c(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)nc2ccccc2c1=O ZINC000528643485 909121461 /nfs/dbraw/zinc/12/14/61/909121461.db2.gz YOFRPUZPADUBFZ-HNNXBMFYSA-N 1 1 357.454 1.687 50 0 FDAAMO Cn1c(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)nc2ccccc2c1=O ZINC000528643485 909121465 /nfs/dbraw/zinc/12/14/65/909121465.db2.gz YOFRPUZPADUBFZ-HNNXBMFYSA-N 1 1 357.454 1.687 50 0 FDAAMO O=C(CCn1cccn1)N1CCC2(CC1)C[N@H+]([C@@H]1CCSC1)CCO2 ZINC000827921040 924776623 /nfs/dbraw/zinc/77/66/23/924776623.db2.gz GBAVLKZNBYXFEV-MRXNPFEDSA-N 1 1 364.515 1.472 50 0 FDAAMO Cc1c[nH]c(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CN(Cc2ccccc2)C3)n1 ZINC000065380288 926674588 /nfs/dbraw/zinc/67/45/88/926674588.db2.gz HWNWBNZIRWFNTO-YLJYHZDGSA-N 1 1 353.470 1.398 50 0 FDAAMO CC[N@H+](Cc1ccncc1)C1CN(C(=O)c2ccc(OC)nc2OC)C1 ZINC000581776634 927564109 /nfs/dbraw/zinc/56/41/09/927564109.db2.gz YHTNLGFAULTFLK-UHFFFAOYSA-N 1 1 356.426 1.840 50 0 FDAAMO CC[N@@H+](Cc1ccncc1)C1CN(C(=O)c2ccc(OC)nc2OC)C1 ZINC000581776634 927564123 /nfs/dbraw/zinc/56/41/23/927564123.db2.gz YHTNLGFAULTFLK-UHFFFAOYSA-N 1 1 356.426 1.840 50 0 FDAAMO Cc1cc(C)n(CC(=O)N2CC([N@H+](CC(C)C)C3CCN(C)CC3)C2)n1 ZINC000581799642 927584069 /nfs/dbraw/zinc/58/40/69/927584069.db2.gz BYRLVUDZZUHTOD-UHFFFAOYSA-N 1 1 361.534 1.763 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000581801328 927585492 /nfs/dbraw/zinc/58/54/92/927585492.db2.gz QLIMZZQVVJNUFA-FOIQADDNSA-N 1 1 370.497 1.939 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000581801328 927585496 /nfs/dbraw/zinc/58/54/96/927585496.db2.gz QLIMZZQVVJNUFA-FOIQADDNSA-N 1 1 370.497 1.939 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnccc3C)CC2)C12CCOCC2 ZINC000581802533 927587273 /nfs/dbraw/zinc/58/72/73/927587273.db2.gz MMJWUIDBCJADJP-GOSISDBHSA-N 1 1 359.470 1.874 50 0 FDAAMO Cn1cccc1C(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802829 927588554 /nfs/dbraw/zinc/58/85/54/927588554.db2.gz PSMBPOVQGXVMEC-KRWDZBQOSA-N 1 1 360.502 1.284 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1ccccn1)CC2 ZINC000581802535 927588664 /nfs/dbraw/zinc/58/86/64/927588664.db2.gz JWNRBSIASFRDCU-QGZVFWFLSA-N 1 1 358.486 1.340 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCn3nccc32)C1)Nc1ccccc1 ZINC000585082139 943792215 /nfs/dbraw/zinc/79/22/15/943792215.db2.gz NKKXIYADSJSQPL-HNNXBMFYSA-N 1 1 353.426 1.580 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCn3nccc32)C1)Nc1ccccc1 ZINC000585082139 943792221 /nfs/dbraw/zinc/79/22/21/943792221.db2.gz NKKXIYADSJSQPL-HNNXBMFYSA-N 1 1 353.426 1.580 50 0 FDAAMO CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1F ZINC000952869752 960213334 /nfs/dbraw/zinc/21/33/34/960213334.db2.gz ZSCCMZYORSKZEZ-GXTWGEPZSA-N 1 1 351.422 1.599 50 0 FDAAMO Cc1ccccc1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1ccncc1 ZINC000952869772 960213648 /nfs/dbraw/zinc/21/36/48/960213648.db2.gz OBEVJODPGXNZLZ-YLJYHZDGSA-N 1 1 366.465 1.793 50 0 FDAAMO CCn1cc(C[NH+]2CCC3(CC2)CN(CCn2cnnc2C)CCO3)cn1 ZINC000952969299 960260450 /nfs/dbraw/zinc/26/04/50/960260450.db2.gz QBXDHCOBAGZQKA-UHFFFAOYSA-N 1 1 373.505 1.170 50 0 FDAAMO COCC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2cc(OC)c(C)cc2C)C1 ZINC000952972689 960267250 /nfs/dbraw/zinc/26/72/50/960267250.db2.gz GILZXABHZBLZBH-MRXNPFEDSA-N 1 1 370.515 1.901 50 0 FDAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000952991934 960287273 /nfs/dbraw/zinc/28/72/73/960287273.db2.gz VACHVRFRSSYTPG-CQSZACIVSA-N 1 1 356.426 1.254 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)CC1 ZINC000253672978 1011698531 /nfs/dbraw/zinc/69/85/31/1011698531.db2.gz BKRZGAFEKPZXKH-OAQYLSRUSA-N 1 1 359.514 1.875 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)CC1 ZINC000253672978 1011698543 /nfs/dbraw/zinc/69/85/43/1011698543.db2.gz BKRZGAFEKPZXKH-OAQYLSRUSA-N 1 1 359.514 1.875 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3nccc(N)n3)c2)C1 ZINC000534661935 540396524 /nfs/dbraw/zinc/39/65/24/540396524.db2.gz CHSFDHSOOBWNAF-OAHLLOKOSA-N 1 1 369.469 1.814 50 0 FDAAMO O=C(CSCC[NH+]1CCCC1)NC1CCN(Cc2ccncc2)CC1 ZINC000299800032 223104101 /nfs/dbraw/zinc/10/41/01/223104101.db2.gz USIOZDJKLDLZDC-UHFFFAOYSA-N 1 1 362.543 1.991 50 0 FDAAMO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000010331247 204010381 /nfs/dbraw/zinc/01/03/81/204010381.db2.gz XWJOSORXFSVHBX-OAHLLOKOSA-N 1 1 358.398 1.596 50 0 FDAAMO C[NH+]1CCN(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000002872821 204064865 /nfs/dbraw/zinc/06/48/65/204064865.db2.gz AGELJDHJMPDMTK-UHFFFAOYSA-N 1 1 362.655 1.760 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(CC)cc2)c(=O)n(C)c1=O ZINC000006787526 204270779 /nfs/dbraw/zinc/27/07/79/204270779.db2.gz HJGQOUUWGYEXFZ-UHFFFAOYSA-N 1 1 372.469 1.416 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(CC)cc2)c(=O)n(C)c1=O ZINC000006787526 204270781 /nfs/dbraw/zinc/27/07/81/204270781.db2.gz HJGQOUUWGYEXFZ-UHFFFAOYSA-N 1 1 372.469 1.416 50 0 FDAAMO CC(=O)c1cccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)c1 ZINC000006808278 204272943 /nfs/dbraw/zinc/27/29/43/204272943.db2.gz CSTIQFMOCXVWLR-UHFFFAOYSA-N 1 1 366.425 1.974 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000007486456 204299589 /nfs/dbraw/zinc/29/95/89/204299589.db2.gz HRGNUJXHYWJPBL-INIZCTEOSA-N 1 1 365.499 1.394 50 0 FDAAMO NC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023695388 204810470 /nfs/dbraw/zinc/81/04/70/204810470.db2.gz XASKKDINMHXKBO-GOSISDBHSA-N 1 1 352.438 1.740 50 0 FDAAMO O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000036369765 205013903 /nfs/dbraw/zinc/01/39/03/205013903.db2.gz GRBGMYHLGSAENM-UHFFFAOYSA-N 1 1 371.418 1.081 50 0 FDAAMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000051152350 205181342 /nfs/dbraw/zinc/18/13/42/205181342.db2.gz LVOPQUCPBYCHET-UHFFFAOYSA-N 1 1 354.248 1.942 50 0 FDAAMO CC(=O)NCCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000051420434 205183566 /nfs/dbraw/zinc/18/35/66/205183566.db2.gz HVWJTRGPBKIVJZ-UHFFFAOYSA-N 1 1 358.442 1.438 50 0 FDAAMO CCn1ncnc1[C@@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055118766 205207891 /nfs/dbraw/zinc/20/78/91/205207891.db2.gz IPDNMZHMBPQAOX-OAHLLOKOSA-N 1 1 373.457 1.386 50 0 FDAAMO CC(C)(CNc1cccc(Cl)c1)NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000055270830 205212975 /nfs/dbraw/zinc/21/29/75/205212975.db2.gz KCXWRTKINHKNEU-CYBMUJFWSA-N 1 1 366.893 1.844 50 0 FDAAMO COC(=O)CC[NH+]1CCN(C(=O)/C=C/c2ccc(C(=O)OC)cc2)CC1 ZINC000058191641 205256478 /nfs/dbraw/zinc/25/64/78/205256478.db2.gz KHZAWYQBYZQNNC-VMPITWQZSA-N 1 1 360.410 1.194 50 0 FDAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)Cn3ccc4ccccc43)CC2)CC1 ZINC000058203540 205260140 /nfs/dbraw/zinc/26/01/40/205260140.db2.gz DGXDWUHCRNMBQN-UHFFFAOYSA-N 1 1 368.481 1.654 50 0 FDAAMO CCc1ccc(O)c(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000058344249 205271478 /nfs/dbraw/zinc/27/14/78/205271478.db2.gz DNACNSGORGIIFP-UHFFFAOYSA-N 1 1 359.470 1.581 50 0 FDAAMO CC(C)[C@@H](C(=O)NCCC(=O)Nc1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058341494 205271675 /nfs/dbraw/zinc/27/16/75/205271675.db2.gz OTWLHXKMWPPDSM-DAYGRLMNSA-N 1 1 362.474 1.660 50 0 FDAAMO CC(C)[C@@H](C(=O)NCCC(=O)Nc1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058341494 205271677 /nfs/dbraw/zinc/27/16/77/205271677.db2.gz OTWLHXKMWPPDSM-DAYGRLMNSA-N 1 1 362.474 1.660 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)cc1C ZINC000058407277 205274887 /nfs/dbraw/zinc/27/48/87/205274887.db2.gz CUSVCMMXZYVJAG-UHFFFAOYSA-N 1 1 369.531 1.618 50 0 FDAAMO CC(=O)Oc1c(C)cc(C[NH+]2CCN(c3cn[nH]c(=O)c3)CC2)cc1C ZINC000063884050 205295598 /nfs/dbraw/zinc/29/55/98/205295598.db2.gz ZNEKEWBYVXVOOS-UHFFFAOYSA-N 1 1 356.426 1.634 50 0 FDAAMO Cn1c2c(C(=O)NCc3ccc(F)cc3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836185 205306547 /nfs/dbraw/zinc/30/65/47/205306547.db2.gz AELMUVRASFYPAY-UHFFFAOYSA-N 1 1 369.400 1.090 50 0 FDAAMO CC[NH+]1CCN(C2=NCCN2C(=O)c2ccccc2Br)CC1 ZINC000065306409 205334983 /nfs/dbraw/zinc/33/49/83/205334983.db2.gz VZKRDWDYRAVMLD-UHFFFAOYSA-N 1 1 365.275 1.898 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2cccc(F)c2)cc(N(C)C)[nH+]1 ZINC000065363767 205339121 /nfs/dbraw/zinc/33/91/21/205339121.db2.gz ZNBQOVZDAOQMBZ-UHFFFAOYSA-N 1 1 353.423 1.381 50 0 FDAAMO CCCn1ncc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H]3C(N)=O)cc2)n1 ZINC000065393505 205344435 /nfs/dbraw/zinc/34/44/35/205344435.db2.gz NAZRPIWTEMMOPN-OAHLLOKOSA-N 1 1 356.430 1.390 50 0 FDAAMO CCCn1ncc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3C(N)=O)cc2)n1 ZINC000065393505 205344439 /nfs/dbraw/zinc/34/44/39/205344439.db2.gz NAZRPIWTEMMOPN-OAHLLOKOSA-N 1 1 356.430 1.390 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1ccccc1Cn1cccn1)CC2 ZINC000067473066 205372368 /nfs/dbraw/zinc/37/23/68/205372368.db2.gz ZTWORZULGSOGPF-UHFFFAOYSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CCCNC(=O)C12CC[NH+](Cc1ccccc1Cn1cccn1)CC2 ZINC000067473066 205372373 /nfs/dbraw/zinc/37/23/73/205372373.db2.gz ZTWORZULGSOGPF-UHFFFAOYSA-N 1 1 367.497 1.718 50 0 FDAAMO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H]3CN4CCC3CC4)cnn2c1 ZINC000067770108 205388524 /nfs/dbraw/zinc/38/85/24/205388524.db2.gz XNEOBSBKSROMRS-KRWDZBQOSA-N 1 1 356.474 1.395 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000067772764 205390852 /nfs/dbraw/zinc/39/08/52/205390852.db2.gz DWLIVJNQHFUOKV-KRWDZBQOSA-N 1 1 358.490 1.674 50 0 FDAAMO CNc1cc[nH+]c(N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)n1 ZINC000067847195 205395927 /nfs/dbraw/zinc/39/59/27/205395927.db2.gz UFFPJLWGRASMTL-UHFFFAOYSA-N 1 1 351.414 1.776 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000071749683 205439578 /nfs/dbraw/zinc/43/95/78/205439578.db2.gz POOBYAJELDXMLQ-GOSISDBHSA-N 1 1 373.497 1.766 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc3ccccc3o1)C2 ZINC000092028152 205710710 /nfs/dbraw/zinc/71/07/10/205710710.db2.gz COVGCRWBOJCLBH-JKSUJKDBSA-N 1 1 355.438 1.944 50 0 FDAAMO O=C(c1ccccc1-n1cncn1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000091707558 205688402 /nfs/dbraw/zinc/68/84/02/205688402.db2.gz POHLWSMFGVLQBU-QGZVFWFLSA-N 1 1 369.469 1.984 50 0 FDAAMO O[C@]1(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)CNCCOC1 ZINC000107130187 206017653 /nfs/dbraw/zinc/01/76/53/206017653.db2.gz GAYGAZVQKHVRKN-SFHVURJKSA-N 1 1 362.499 1.159 50 0 FDAAMO O[C@]1(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)CNCCOC1 ZINC000107130187 206017656 /nfs/dbraw/zinc/01/76/56/206017656.db2.gz GAYGAZVQKHVRKN-SFHVURJKSA-N 1 1 362.499 1.159 50 0 FDAAMO C[N@H+]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@]12CCNC(=O)CC2 ZINC000107410809 206020239 /nfs/dbraw/zinc/02/02/39/206020239.db2.gz AHYMQPPOFXMWSA-LJQANCHMSA-N 1 1 373.432 1.662 50 0 FDAAMO CC1=[NH+]N(CC(C)C)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2[C@H]1C ZINC000004316671 206173335 /nfs/dbraw/zinc/17/33/35/206173335.db2.gz DGBNFWVVDNZBIA-ZDUSSCGKSA-N 1 1 360.462 1.966 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000169774393 206262176 /nfs/dbraw/zinc/26/21/76/206262176.db2.gz GKAFSDCRZWLIML-CZUORRHYSA-N 1 1 358.442 1.118 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2C)CC1 ZINC000012421587 206290305 /nfs/dbraw/zinc/29/03/05/206290305.db2.gz JULLAWZQXFKRAJ-UHFFFAOYSA-N 1 1 353.426 1.272 50 0 FDAAMO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc(OCCn4ccnc4)cc3)C[C@H]2C[C@@H]1O ZINC000216289865 206358161 /nfs/dbraw/zinc/35/81/61/206358161.db2.gz QNTUCQJZSGCFHB-KJWXAFIESA-N 1 1 357.454 1.526 50 0 FDAAMO Cc1nccc(-c2ccccc2)c1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000215459616 206347152 /nfs/dbraw/zinc/34/71/52/206347152.db2.gz YJWLWUOJZDMCSO-QGZVFWFLSA-N 1 1 366.465 1.984 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[N@@H+]2CCc3c(c(C(N)=O)nn3C)C2)c1 ZINC000215627795 206350749 /nfs/dbraw/zinc/35/07/49/206350749.db2.gz HOVYLLYQCQQPDA-UHFFFAOYSA-N 1 1 366.425 1.272 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCc3c(c(C(N)=O)nn3C)C2)c1 ZINC000215627795 206350752 /nfs/dbraw/zinc/35/07/52/206350752.db2.gz HOVYLLYQCQQPDA-UHFFFAOYSA-N 1 1 366.425 1.272 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CCn3c4ccccc4oc3=O)C2)cc(=O)[nH]1 ZINC000215795954 206351431 /nfs/dbraw/zinc/35/14/31/206351431.db2.gz AHMAOIYRJQJFSH-CQSZACIVSA-N 1 1 354.410 1.866 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2sccn2c1=O ZINC000022852893 206393419 /nfs/dbraw/zinc/39/34/19/206393419.db2.gz OFKULTLTFKGNAC-LBPRGKRZSA-N 1 1 364.471 1.846 50 0 FDAAMO OCCn1ncc2c1CN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000244601788 206553133 /nfs/dbraw/zinc/55/31/33/206553133.db2.gz DRTHYVUMJDPLOC-LJQANCHMSA-N 1 1 356.470 1.482 50 0 FDAAMO CCn1c(CN2CCCN(Cc3ccccn3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244701066 206554224 /nfs/dbraw/zinc/55/42/24/206554224.db2.gz JZOJIFAXJZQBSR-QAQDUYKDSA-N 1 1 369.517 1.606 50 0 FDAAMO CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(N3CCN(C)CC3)cc2)C[C@@H]1CO ZINC000091288695 132200703 /nfs/dbraw/zinc/20/07/03/132200703.db2.gz PIICAMPRUROFAA-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(N3CCN(C)CC3)cc2)C[C@@H]1CO ZINC000091288695 132200706 /nfs/dbraw/zinc/20/07/06/132200706.db2.gz PIICAMPRUROFAA-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)nc(N2CCCC2)n1 ZINC000091770401 132203628 /nfs/dbraw/zinc/20/36/28/132203628.db2.gz DHJPPHXGFSVICU-FQEVSTJZSA-N 1 1 372.517 1.430 50 0 FDAAMO CCC[C@@]1(CO)CCCN(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)C1 ZINC000091780008 132203775 /nfs/dbraw/zinc/20/37/75/132203775.db2.gz FDGYLJCLKORMAG-HXUWFJFHSA-N 1 1 360.502 1.848 50 0 FDAAMO Cc1cnc(C)c(N2CCN(C(=O)[C@H]3Cc4ccccc4C[N@H+]3C)CC2)n1 ZINC000095358354 132207475 /nfs/dbraw/zinc/20/74/75/132207475.db2.gz BMJFNHIWXQARTF-LJQANCHMSA-N 1 1 365.481 1.799 50 0 FDAAMO Cc1cnc(C)c(N2CCN(C(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)n1 ZINC000095358354 132207476 /nfs/dbraw/zinc/20/74/76/132207476.db2.gz BMJFNHIWXQARTF-LJQANCHMSA-N 1 1 365.481 1.799 50 0 FDAAMO Cc1ccccc1CSc1nc(N2CCC[C@@](O)(CO)C2)cc(N)[nH+]1 ZINC000095386374 132210056 /nfs/dbraw/zinc/21/00/56/132210056.db2.gz QITFZGVFIBWJIZ-SFHVURJKSA-N 1 1 360.483 1.983 50 0 FDAAMO Cc1ccccc1CSc1nc(N)cc(N2CCC[C@@](O)(CO)C2)[nH+]1 ZINC000095386374 132210057 /nfs/dbraw/zinc/21/00/57/132210057.db2.gz QITFZGVFIBWJIZ-SFHVURJKSA-N 1 1 360.483 1.983 50 0 FDAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1cc(N2CCOCC2)ccc1Cl ZINC000096161973 132221397 /nfs/dbraw/zinc/22/13/97/132221397.db2.gz RBNGGIXQOQCAFM-HOTGVXAUSA-N 1 1 368.865 1.627 50 0 FDAAMO NC(=O)c1cc2c(nc1N1CC[N@@H+](C3CCCC3)[C@@H](CCO)C1)CCC2 ZINC000106945121 132240421 /nfs/dbraw/zinc/24/04/21/132240421.db2.gz KPRBZVUSWXDADH-INIZCTEOSA-N 1 1 358.486 1.485 50 0 FDAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCN(c2cnccn2)CC1 ZINC000194995351 132267054 /nfs/dbraw/zinc/26/70/54/132267054.db2.gz QIZGZJIZKSOBTD-SFHVURJKSA-N 1 1 351.454 1.615 50 0 FDAAMO COc1cccc2ccc(C[NH+]3CCN(c4cnn(C)c(=O)c4)CC3)nc21 ZINC000216365111 132271025 /nfs/dbraw/zinc/27/10/25/132271025.db2.gz XPWALZRNIHNMPA-UHFFFAOYSA-N 1 1 365.437 1.659 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2cnccn2)CC1 ZINC000299758388 132297930 /nfs/dbraw/zinc/29/79/30/132297930.db2.gz PHABTJCHZGEQAT-GOSISDBHSA-N 1 1 351.454 1.618 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(c2cnccn2)CC1 ZINC000299758388 132297931 /nfs/dbraw/zinc/29/79/31/132297931.db2.gz PHABTJCHZGEQAT-GOSISDBHSA-N 1 1 351.454 1.618 50 0 FDAAMO Cc1cc(C)cc(N2CCN(C(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)CC2)c1 ZINC000055342737 136126579 /nfs/dbraw/zinc/12/65/79/136126579.db2.gz RSGNGEMICLCKFX-IBGZPJMESA-N 1 1 372.513 1.551 50 0 FDAAMO Cc1cc(C)cc(N2CCN(C(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)CC2)c1 ZINC000055342737 136126580 /nfs/dbraw/zinc/12/65/80/136126580.db2.gz RSGNGEMICLCKFX-IBGZPJMESA-N 1 1 372.513 1.551 50 0 FDAAMO O=C(NC1CC1)[C@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[NH2+]1 ZINC000072160977 136143221 /nfs/dbraw/zinc/14/32/21/136143221.db2.gz WHGQGMBVCZHUHA-GOSISDBHSA-N 1 1 363.465 1.689 50 0 FDAAMO COCC[NH+]1CCC(N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000076046890 136150959 /nfs/dbraw/zinc/15/09/59/136150959.db2.gz BWPVSAIJQQUJJZ-SFHVURJKSA-N 1 1 374.529 1.424 50 0 FDAAMO CCn1nccc1N1CCC[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1=O ZINC000189970631 258388002 /nfs/dbraw/zinc/38/80/02/258388002.db2.gz UBGRPUXPLITSOJ-HNNXBMFYSA-N 1 1 372.473 1.925 50 0 FDAAMO CN(CC(=O)N[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1)Cc1cccnc1 ZINC000011821486 518573463 /nfs/dbraw/zinc/57/34/63/518573463.db2.gz KOSYPTBXYDEEQA-GOSISDBHSA-N 1 1 359.518 1.188 50 0 FDAAMO CN(CC(=O)N[C@@H]1CCCN(C2CC[NH+](C)CC2)C1)Cc1cccnc1 ZINC000011821486 518573471 /nfs/dbraw/zinc/57/34/71/518573471.db2.gz KOSYPTBXYDEEQA-GOSISDBHSA-N 1 1 359.518 1.188 50 0 FDAAMO COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccccc1)CC2)C(C)C ZINC000011872822 518575986 /nfs/dbraw/zinc/57/59/86/518575986.db2.gz WRHPMHDPGXSGBD-LJQANCHMSA-N 1 1 371.485 1.796 50 0 FDAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)c1 ZINC000012079879 518586162 /nfs/dbraw/zinc/58/61/62/518586162.db2.gz WXIBBWNOJUMYKY-QGZVFWFLSA-N 1 1 357.458 1.454 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[N@H+](C)Cc3cnn(C)c3)C2=O)c1 ZINC000012477906 518616302 /nfs/dbraw/zinc/61/63/02/518616302.db2.gz NEPSIKRMAIIVCV-FQEVSTJZSA-N 1 1 356.470 1.714 50 0 FDAAMO CCN(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000012650741 518626006 /nfs/dbraw/zinc/62/60/06/518626006.db2.gz WIYVZRSDQXDDBM-UHFFFAOYSA-N 1 1 353.488 1.170 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012907713 518642416 /nfs/dbraw/zinc/64/24/16/518642416.db2.gz BJOLMTUPOLLNBJ-HNNXBMFYSA-N 1 1 367.515 1.931 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000013636754 518664275 /nfs/dbraw/zinc/66/42/75/518664275.db2.gz CKPNKRDQQZMWSY-SFHVURJKSA-N 1 1 372.513 1.572 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000013636754 518664281 /nfs/dbraw/zinc/66/42/81/518664281.db2.gz CKPNKRDQQZMWSY-SFHVURJKSA-N 1 1 372.513 1.572 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715713 518667467 /nfs/dbraw/zinc/66/74/67/518667467.db2.gz NJIFWJYHGNVANS-MRXNPFEDSA-N 1 1 371.478 1.534 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716595 518667926 /nfs/dbraw/zinc/66/79/26/518667926.db2.gz IIZYUHOAZBUESP-KRWDZBQOSA-N 1 1 367.515 1.622 50 0 FDAAMO O=C(CCn1ccc(=O)[nH]c1=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000014980349 518703324 /nfs/dbraw/zinc/70/33/24/518703324.db2.gz UMEUWQHLXDEGMP-HNNXBMFYSA-N 1 1 362.474 1.230 50 0 FDAAMO CCc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 ZINC000014998638 518705507 /nfs/dbraw/zinc/70/55/07/518705507.db2.gz CAWVATWOCLQNGS-SFHVURJKSA-N 1 1 371.485 1.790 50 0 FDAAMO Cc1nnc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)[nH]1 ZINC000015075280 518706815 /nfs/dbraw/zinc/70/68/15/518706815.db2.gz ZZFAXRBQDQVNIG-KRWDZBQOSA-N 1 1 365.384 1.035 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3cnc(C)cn3)C2=O)c1 ZINC000015061925 518706881 /nfs/dbraw/zinc/70/68/81/518706881.db2.gz UCVJGBQFFZATPC-HXUWFJFHSA-N 1 1 354.454 1.737 50 0 FDAAMO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000018077643 518792345 /nfs/dbraw/zinc/79/23/45/518792345.db2.gz FEAMQUJHJWWQNJ-INIZCTEOSA-N 1 1 360.410 1.556 50 0 FDAAMO CC(C)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019797209 518837331 /nfs/dbraw/zinc/83/73/31/518837331.db2.gz NFEQFEDSWINARK-KBPBESRZSA-N 1 1 365.904 1.525 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1 ZINC000020415710 518849374 /nfs/dbraw/zinc/84/93/74/518849374.db2.gz OXPCNGOCFDVLDP-UHFFFAOYSA-N 1 1 353.426 1.052 50 0 FDAAMO Cc1cc(Cl)ccc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000020568056 518852696 /nfs/dbraw/zinc/85/26/96/518852696.db2.gz ZXJSRJDUPHNVJO-UHFFFAOYSA-N 1 1 359.879 1.188 50 0 FDAAMO COc1ccc(C(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1 ZINC000021793563 518881828 /nfs/dbraw/zinc/88/18/28/518881828.db2.gz SBNGRLZNINVVON-UHFFFAOYSA-N 1 1 355.442 1.822 50 0 FDAAMO Cn1ncc2c1nc(N1CC[NH+](C)CC1)nc2NCc1ccc(F)cc1 ZINC000021929998 518887448 /nfs/dbraw/zinc/88/74/48/518887448.db2.gz RJADNHKNHAVHEA-UHFFFAOYSA-N 1 1 355.421 1.866 50 0 FDAAMO O=C(CCc1nc(-c2cccs2)no1)NCCC[NH+]1CCOCC1 ZINC000022688282 518906950 /nfs/dbraw/zinc/90/69/50/518906950.db2.gz YUENCDGGMOKBRD-UHFFFAOYSA-N 1 1 350.444 1.569 50 0 FDAAMO O=c1cc(CN2CC[NH+](CCOc3ccccc3)CC2)nc2sccn21 ZINC000022804708 518914031 /nfs/dbraw/zinc/91/40/31/518914031.db2.gz KWHZVEDAZSROBC-UHFFFAOYSA-N 1 1 370.478 1.953 50 0 FDAAMO CCn1cc(CN2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cn1 ZINC000022919709 518922271 /nfs/dbraw/zinc/92/22/71/518922271.db2.gz FOACCUKCYDCWFW-IBGZPJMESA-N 1 1 358.486 1.980 50 0 FDAAMO CCn1cc(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)cn1 ZINC000022919709 518922277 /nfs/dbraw/zinc/92/22/77/518922277.db2.gz FOACCUKCYDCWFW-IBGZPJMESA-N 1 1 358.486 1.980 50 0 FDAAMO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000022937689 518924148 /nfs/dbraw/zinc/92/41/48/518924148.db2.gz BTVBUMMXNXHGKX-IBGZPJMESA-N 1 1 372.513 1.498 50 0 FDAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000025410589 519060182 /nfs/dbraw/zinc/06/01/82/519060182.db2.gz IXOYMMSJIYBWBJ-UONOGXRCSA-N 1 1 351.472 1.785 50 0 FDAAMO C[C@@H](On1nnc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025392917 519061420 /nfs/dbraw/zinc/06/14/20/519061420.db2.gz SKHXWMRNYUPFGV-MRXNPFEDSA-N 1 1 365.437 1.593 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccccc1 ZINC000025671940 519077113 /nfs/dbraw/zinc/07/71/13/519077113.db2.gz PFUXSXJEZNFTKH-UHFFFAOYSA-N 1 1 354.458 1.488 50 0 FDAAMO CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000253488111 519391171 /nfs/dbraw/zinc/39/11/71/519391171.db2.gz XEPMBUIGQIHSGV-QRVBRYPASA-N 1 1 373.497 1.527 50 0 FDAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000032778026 519538909 /nfs/dbraw/zinc/53/89/09/519538909.db2.gz DUNLYCNJOICIGO-OAHLLOKOSA-N 1 1 363.425 1.770 50 0 FDAAMO O=C(CCCn1cnc2ccccc2c1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000032912045 519549108 /nfs/dbraw/zinc/54/91/08/519549108.db2.gz DMXUUGPKLCNPCT-HNNXBMFYSA-N 1 1 354.454 1.777 50 0 FDAAMO CC(C)[NH+]1CCN(C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000020454681 519682360 /nfs/dbraw/zinc/68/23/60/519682360.db2.gz IJDZMGNSGDEPOC-FQEVSTJZSA-N 1 1 363.477 1.705 50 0 FDAAMO CCCc1nc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000091679091 521476252 /nfs/dbraw/zinc/47/62/52/521476252.db2.gz FIORIHXJEVBPLZ-HUUCEWRRSA-N 1 1 367.515 1.498 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000020722426 521639665 /nfs/dbraw/zinc/63/96/65/521639665.db2.gz MRYPJLYUZHMXJS-CYBMUJFWSA-N 1 1 360.414 1.968 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)c1 ZINC000070893869 522051295 /nfs/dbraw/zinc/05/12/95/522051295.db2.gz NJHAZPIWRSFWHN-INIZCTEOSA-N 1 1 371.485 1.671 50 0 FDAAMO NC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071419290 522113235 /nfs/dbraw/zinc/11/32/35/522113235.db2.gz SBJUBYHGGHNBDH-GOSISDBHSA-N 1 1 372.513 1.007 50 0 FDAAMO O=C(NCc1ccon1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071663040 522117495 /nfs/dbraw/zinc/11/74/95/522117495.db2.gz IMTFLCBQNBSLOP-HNNXBMFYSA-N 1 1 360.458 1.404 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CC(O)C1 ZINC000071575167 522117865 /nfs/dbraw/zinc/11/78/65/522117865.db2.gz BSJRKEJHGHVDPP-IBGZPJMESA-N 1 1 371.525 1.609 50 0 FDAAMO Cn1ccnc1C[NH+]1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000071712218 522119563 /nfs/dbraw/zinc/11/95/63/522119563.db2.gz NVJOQPXZWZVSLG-UHFFFAOYSA-N 1 1 352.442 1.733 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCNCC1 ZINC000071749393 522124576 /nfs/dbraw/zinc/12/45/76/522124576.db2.gz CDCHZMWTBIBZRS-IBGZPJMESA-N 1 1 371.529 1.190 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCNCC1 ZINC000071749393 522124587 /nfs/dbraw/zinc/12/45/87/522124587.db2.gz CDCHZMWTBIBZRS-IBGZPJMESA-N 1 1 371.529 1.190 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000071753912 522127928 /nfs/dbraw/zinc/12/79/28/522127928.db2.gz QLGKDUNBJVBMEE-OAHLLOKOSA-N 1 1 351.472 1.182 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000071753912 522127939 /nfs/dbraw/zinc/12/79/39/522127939.db2.gz QLGKDUNBJVBMEE-OAHLLOKOSA-N 1 1 351.472 1.182 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC(=O)NC[C@H]1C ZINC000071776997 522133456 /nfs/dbraw/zinc/13/34/56/522133456.db2.gz NSLJIQAJQFVQLW-OAHLLOKOSA-N 1 1 371.485 1.917 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CCC(=O)NC[C@H]1C ZINC000071776997 522133458 /nfs/dbraw/zinc/13/34/58/522133458.db2.gz NSLJIQAJQFVQLW-OAHLLOKOSA-N 1 1 371.485 1.917 50 0 FDAAMO CCCn1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000072126499 522157468 /nfs/dbraw/zinc/15/74/68/522157468.db2.gz HKHZSELIOAUGLD-KRWDZBQOSA-N 1 1 373.432 1.793 50 0 FDAAMO C[N@@H+](Cc1ccccc1)C1(C(=O)NC[C@@H](O)CO)Cc2ccccc2C1 ZINC000072132078 522161488 /nfs/dbraw/zinc/16/14/88/522161488.db2.gz UWHSCWLSNYQXJY-LJQANCHMSA-N 1 1 354.450 1.125 50 0 FDAAMO O=S(=O)(N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1cccnc1 ZINC000072151293 522179187 /nfs/dbraw/zinc/17/91/87/522179187.db2.gz FRTXXSVEVOXRQG-KRWDZBQOSA-N 1 1 357.479 1.992 50 0 FDAAMO Cc1ccc2[nH]c(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3CCC(C)C)nc2c1 ZINC000072159419 522186516 /nfs/dbraw/zinc/18/65/16/522186516.db2.gz JTAQMLLBAPBVFU-KRWDZBQOSA-N 1 1 371.485 1.724 50 0 FDAAMO Cc1ccc2nc(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3CCC(C)C)[nH]c2c1 ZINC000072159419 522186525 /nfs/dbraw/zinc/18/65/25/522186525.db2.gz JTAQMLLBAPBVFU-KRWDZBQOSA-N 1 1 371.485 1.724 50 0 FDAAMO Cc1ccc2nc(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3CCC(C)C)[nH]c2c1 ZINC000072159419 522186534 /nfs/dbraw/zinc/18/65/34/522186534.db2.gz JTAQMLLBAPBVFU-KRWDZBQOSA-N 1 1 371.485 1.724 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1Nc1nc(-c2cccnc2)nc2c1cnn2C ZINC000072163583 522188291 /nfs/dbraw/zinc/18/82/91/522188291.db2.gz FDBJPMXICNXZOZ-HOTGVXAUSA-N 1 1 367.457 1.945 50 0 FDAAMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)n1 ZINC000072161688 522189319 /nfs/dbraw/zinc/18/93/19/522189319.db2.gz HIYLMDMWINBEIH-HXUWFJFHSA-N 1 1 350.422 1.366 50 0 FDAAMO Cc1cc(C)c(C)c2occ(CC(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)c21 ZINC000072172956 522199315 /nfs/dbraw/zinc/19/93/15/522199315.db2.gz ZTBLONSJHWAXLO-KRWDZBQOSA-N 1 1 369.465 1.980 50 0 FDAAMO O=C(NCCc1csc(-c2cccnc2)n1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072438554 522278117 /nfs/dbraw/zinc/27/81/17/522278117.db2.gz GQXCRKHCZMDERZ-HNNXBMFYSA-N 1 1 354.439 1.474 50 0 FDAAMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000072448056 522282077 /nfs/dbraw/zinc/28/20/77/522282077.db2.gz PZUKDXQQGDUESQ-CQSZACIVSA-N 1 1 364.490 1.620 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072467865 522289988 /nfs/dbraw/zinc/28/99/88/522289988.db2.gz AOPBYDDHQDUKAB-KRWDZBQOSA-N 1 1 356.474 1.422 50 0 FDAAMO CN(C)Cc1nnc([C@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)n1C ZINC000072473612 522292236 /nfs/dbraw/zinc/29/22/36/522292236.db2.gz QBBNRSUZUDJOHU-INIZCTEOSA-N 1 1 364.538 1.167 50 0 FDAAMO CCn1cc(C[N@H+]2CCc3nc(N)nc(N[C@H]4CCOC4)c3CC2)cn1 ZINC000072478477 522302472 /nfs/dbraw/zinc/30/24/72/522302472.db2.gz YGPVCYWXCORZKT-AWEZNQCLSA-N 1 1 357.462 1.077 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)cn1 ZINC000065267324 522798281 /nfs/dbraw/zinc/79/82/81/522798281.db2.gz GQBYKULXQGKRCP-INIZCTEOSA-N 1 1 359.401 1.999 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)cn1 ZINC000065267324 522798282 /nfs/dbraw/zinc/79/82/82/522798282.db2.gz GQBYKULXQGKRCP-INIZCTEOSA-N 1 1 359.401 1.999 50 0 FDAAMO CCOCCn1c2ccc(C(=O)N3CC[N@@H+](CC)C(C)(C)C3)cc2[nH]c1=O ZINC000077320337 523293211 /nfs/dbraw/zinc/29/32/11/523293211.db2.gz HRCGLPVZZBEERS-UHFFFAOYSA-N 1 1 374.485 1.922 50 0 FDAAMO COc1cccc(CN2CC3(CC2=O)CCN(C(=O)[C@H]([NH3+])CF)CC3)c1 ZINC000077390975 523320492 /nfs/dbraw/zinc/32/04/92/523320492.db2.gz HIJXVIOVLLWEEZ-MRXNPFEDSA-N 1 1 363.433 1.333 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@H+](CCOCCO)C2)CN1CCc1ccccn1 ZINC000077453968 523344500 /nfs/dbraw/zinc/34/45/00/523344500.db2.gz FBNXWWLJJNOPEJ-HXUWFJFHSA-N 1 1 361.486 1.338 50 0 FDAAMO Cn1cnnc1CCC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077470806 523352254 /nfs/dbraw/zinc/35/22/54/523352254.db2.gz YFWGOWZNVNXUTF-UHFFFAOYSA-N 1 1 353.470 1.449 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)N3CC[NH+](CCCCOC)CC3)cnc21 ZINC000077505173 523365946 /nfs/dbraw/zinc/36/59/46/523365946.db2.gz IUQIXYIEAXRRTN-UHFFFAOYSA-N 1 1 360.462 1.218 50 0 FDAAMO CC(C)Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)c(=O)[nH]3)C2)n1 ZINC000077537547 523375517 /nfs/dbraw/zinc/37/55/17/523375517.db2.gz IJWDLEIBGULLAA-LBPRGKRZSA-N 1 1 359.430 1.435 50 0 FDAAMO C[N@H+](Cc1cnc(NS(=O)(=O)c2ccccc2)nc1)C1CCOCC1 ZINC000216362006 523496595 /nfs/dbraw/zinc/49/65/95/523496595.db2.gz YNBOUJGLFNISLR-UHFFFAOYSA-N 1 1 362.455 1.888 50 0 FDAAMO C[N@@H+](Cc1cnc(NS(=O)(=O)c2ccccc2)nc1)C1CCOCC1 ZINC000216362006 523496602 /nfs/dbraw/zinc/49/66/02/523496602.db2.gz YNBOUJGLFNISLR-UHFFFAOYSA-N 1 1 362.455 1.888 50 0 FDAAMO CN(C)C(=O)CSc1nc(NCc2cn3c(n2)SCC3)cc(N)[nH+]1 ZINC000091494237 523998151 /nfs/dbraw/zinc/99/81/51/523998151.db2.gz LVKMPUWSMOHHNT-UHFFFAOYSA-N 1 1 365.488 1.153 50 0 FDAAMO CN(C)C(=O)CSc1nc(N)cc(NCc2cn3c(n2)SCC3)[nH+]1 ZINC000091494237 523998156 /nfs/dbraw/zinc/99/81/56/523998156.db2.gz LVKMPUWSMOHHNT-UHFFFAOYSA-N 1 1 365.488 1.153 50 0 FDAAMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1O ZINC000082106705 524030368 /nfs/dbraw/zinc/03/03/68/524030368.db2.gz PEYRQJQJWLFRGI-FQEVSTJZSA-N 1 1 362.470 1.988 50 0 FDAAMO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1C ZINC000091486947 524259859 /nfs/dbraw/zinc/25/98/59/524259859.db2.gz BFTZNLXMYXVFMO-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1C ZINC000091486947 524259865 /nfs/dbraw/zinc/25/98/65/524259865.db2.gz BFTZNLXMYXVFMO-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1C ZINC000091486947 524259874 /nfs/dbraw/zinc/25/98/74/524259874.db2.gz BFTZNLXMYXVFMO-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO CC(=O)N1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000084715011 524324418 /nfs/dbraw/zinc/32/44/18/524324418.db2.gz DPQXAMLNYUGFKX-ZACQAIPSSA-N 1 1 373.497 1.989 50 0 FDAAMO CC(=O)N1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000084715011 524324430 /nfs/dbraw/zinc/32/44/30/524324430.db2.gz DPQXAMLNYUGFKX-ZACQAIPSSA-N 1 1 373.497 1.989 50 0 FDAAMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000111864332 524363700 /nfs/dbraw/zinc/36/37/00/524363700.db2.gz CRRSAQXWGSQALR-GJZGRUSLSA-N 1 1 351.451 1.378 50 0 FDAAMO Cc1cccc(N2CCC([N@H+]3C[C@H](CO)[C@H](CN(C)CCO)C3)CC2)c1 ZINC000091587271 524536045 /nfs/dbraw/zinc/53/60/45/524536045.db2.gz HTKIIVORYORXNK-RTBURBONSA-N 1 1 361.530 1.428 50 0 FDAAMO Cc1cccc(N2CCC([N@@H+]3C[C@H](CO)[C@H](CN(C)CCO)C3)CC2)c1 ZINC000091587271 524536053 /nfs/dbraw/zinc/53/60/53/524536053.db2.gz HTKIIVORYORXNK-RTBURBONSA-N 1 1 361.530 1.428 50 0 FDAAMO C[C@H]1CN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC[N@H+]1C ZINC000020210743 524669553 /nfs/dbraw/zinc/66/95/53/524669553.db2.gz LYOPWXBFCGOPLR-INIZCTEOSA-N 1 1 353.470 1.980 50 0 FDAAMO Cc1nnsc1CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091364644 524693786 /nfs/dbraw/zinc/69/37/86/524693786.db2.gz WUUOHNILEZYZAN-SFHVURJKSA-N 1 1 363.531 1.755 50 0 FDAAMO Cc1cnc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)cn1 ZINC000091468390 524710909 /nfs/dbraw/zinc/71/09/09/524710909.db2.gz ULRZCSKUUQSMGA-MRXNPFEDSA-N 1 1 371.485 1.334 50 0 FDAAMO CN(C)c1ncc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 ZINC000091475549 524712397 /nfs/dbraw/zinc/71/23/97/524712397.db2.gz MUQROCVKJYFDPS-YLJYHZDGSA-N 1 1 373.501 1.128 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 ZINC000091475549 524712403 /nfs/dbraw/zinc/71/24/03/524712403.db2.gz MUQROCVKJYFDPS-YLJYHZDGSA-N 1 1 373.501 1.128 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000091475206 524712599 /nfs/dbraw/zinc/71/25/99/524712599.db2.gz PFMYDXAFBCRFBN-LLVKDONJSA-N 1 1 361.339 1.658 50 0 FDAAMO CSCC(=O)N[C@H]1C[N@@H+](CC(C)(C)N2CCOCC2)C[C@@H]1C(C)C ZINC000091626063 524745900 /nfs/dbraw/zinc/74/59/00/524745900.db2.gz RQZAYNRMSFBFNZ-CVEARBPZSA-N 1 1 357.564 1.533 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2-n2cccn2)C1 ZINC000091656699 524753510 /nfs/dbraw/zinc/75/35/10/524753510.db2.gz ULMUMEPPYCRYGL-PKOBYXMFSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1-n1cccn1)C2 ZINC000091656699 524753521 /nfs/dbraw/zinc/75/35/21/524753521.db2.gz ULMUMEPPYCRYGL-PKOBYXMFSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1-n1cccn1)C2 ZINC000091656699 524753529 /nfs/dbraw/zinc/75/35/29/524753529.db2.gz ULMUMEPPYCRYGL-PKOBYXMFSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)c1ncc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)s1 ZINC000091707282 524763599 /nfs/dbraw/zinc/76/35/99/524763599.db2.gz NSTPVXHKWYYBGI-KRWDZBQOSA-N 1 1 351.520 1.338 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)c(O)c1 ZINC000091745787 524771631 /nfs/dbraw/zinc/77/16/31/524771631.db2.gz FLFRVLXQGAKYGV-UONOGXRCSA-N 1 1 361.442 1.025 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)c(O)c1 ZINC000091745787 524771637 /nfs/dbraw/zinc/77/16/37/524771637.db2.gz FLFRVLXQGAKYGV-UONOGXRCSA-N 1 1 361.442 1.025 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)CCC(F)(F)F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091757445 524777221 /nfs/dbraw/zinc/77/72/21/524777221.db2.gz BCOLYDWSOSMJMB-XJFOESAGSA-N 1 1 352.397 1.505 50 0 FDAAMO CCOCC[N@H+]1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](c2ccccc2)C1 ZINC000091780549 524780793 /nfs/dbraw/zinc/78/07/93/524780793.db2.gz UAWBZETYJBWLLX-MSOLQXFVSA-N 1 1 359.470 1.230 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(Cc2cc(F)c(F)cc2F)C[C@@H]1CO ZINC000091817946 524790761 /nfs/dbraw/zinc/79/07/61/524790761.db2.gz CJTJVOWGJXBQJD-HUUCEWRRSA-N 1 1 359.436 1.638 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(Cc2cc(F)c(F)cc2F)C[C@@H]1CO ZINC000091817946 524790776 /nfs/dbraw/zinc/79/07/76/524790776.db2.gz CJTJVOWGJXBQJD-HUUCEWRRSA-N 1 1 359.436 1.638 50 0 FDAAMO COCC1CCN(S(=O)(=O)N2CCC(c3[nH+]ccn3C)CC2)CC1 ZINC000091847331 524798178 /nfs/dbraw/zinc/79/81/78/524798178.db2.gz SYWPCEYKUIEWJC-UHFFFAOYSA-N 1 1 356.492 1.203 50 0 FDAAMO CCn1ccnc1C1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)CC1 ZINC000091849118 524800860 /nfs/dbraw/zinc/80/08/60/524800860.db2.gz MFVOEQRYPQVNSA-INIZCTEOSA-N 1 1 361.490 1.208 50 0 FDAAMO CCn1ccnc1C1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)CC1 ZINC000091849118 524800866 /nfs/dbraw/zinc/80/08/66/524800866.db2.gz MFVOEQRYPQVNSA-INIZCTEOSA-N 1 1 361.490 1.208 50 0 FDAAMO COc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)ccc1C ZINC000091943099 524816191 /nfs/dbraw/zinc/81/61/91/524816191.db2.gz YCXPYAPMXQKOFE-QZTJIDSGSA-N 1 1 363.502 1.178 50 0 FDAAMO COc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)ccc1C ZINC000091943099 524816198 /nfs/dbraw/zinc/81/61/98/524816198.db2.gz YCXPYAPMXQKOFE-QZTJIDSGSA-N 1 1 363.502 1.178 50 0 FDAAMO CCC[C@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@@H]1NS(=O)(=O)C1CC1 ZINC000091952202 524819138 /nfs/dbraw/zinc/81/91/38/524819138.db2.gz UPZNQORVHAEBOV-GUYCJALGSA-N 1 1 353.488 1.773 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@@H]1NS(=O)(=O)C1CC1 ZINC000091952202 524819147 /nfs/dbraw/zinc/81/91/47/524819147.db2.gz UPZNQORVHAEBOV-GUYCJALGSA-N 1 1 353.488 1.773 50 0 FDAAMO Cn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000092081103 524846219 /nfs/dbraw/zinc/84/62/19/524846219.db2.gz MOXACNCLGSCASH-IAGOWNOFSA-N 1 1 360.483 1.705 50 0 FDAAMO COc1ncccc1C[N@@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095361469 525036321 /nfs/dbraw/zinc/03/63/21/525036321.db2.gz BKGSBRHQUYETSV-YLJYHZDGSA-N 1 1 359.470 1.676 50 0 FDAAMO COc1ncccc1C[N@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095361469 525036331 /nfs/dbraw/zinc/03/63/31/525036331.db2.gz BKGSBRHQUYETSV-YLJYHZDGSA-N 1 1 359.470 1.676 50 0 FDAAMO COCCCN1CC2(CC1=O)CC[NH+](CC(=O)NCc1ccco1)CC2 ZINC000095363080 525037705 /nfs/dbraw/zinc/03/77/05/525037705.db2.gz ILGULEAXFWUFOE-UHFFFAOYSA-N 1 1 363.458 1.247 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)Cn3ncc4ccccc43)CC[N@H+]2C)CCC1=O ZINC000095365702 525038300 /nfs/dbraw/zinc/03/83/00/525038300.db2.gz IYFGSONIRCMPQH-HXUWFJFHSA-N 1 1 369.469 1.191 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000095363944 525039299 /nfs/dbraw/zinc/03/92/99/525039299.db2.gz SGJUTDGXRDAINN-RDTXWAMCSA-N 1 1 354.397 1.397 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000095363944 525039308 /nfs/dbraw/zinc/03/93/08/525039308.db2.gz SGJUTDGXRDAINN-RDTXWAMCSA-N 1 1 354.397 1.397 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1nn[nH]n1)C2 ZINC000095365258 525039844 /nfs/dbraw/zinc/03/98/44/525039844.db2.gz WQCURIRGYVEEQB-ZIAGYGMSSA-N 1 1 356.430 1.050 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000095370162 525043381 /nfs/dbraw/zinc/04/33/81/525043381.db2.gz WPJAIXKLJAGHJK-CYBMUJFWSA-N 1 1 352.438 1.378 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@H+](Cc3ccc(OC)cc3C)C[C@@H]2CO)CC1 ZINC000095376876 525050664 /nfs/dbraw/zinc/05/06/64/525050664.db2.gz WQRIQOPJUSPIFV-WOJBJXKFSA-N 1 1 361.530 1.681 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@@H+](Cc3ccc(OC)cc3C)C[C@@H]2CO)CC1 ZINC000095376876 525050666 /nfs/dbraw/zinc/05/06/66/525050666.db2.gz WQRIQOPJUSPIFV-WOJBJXKFSA-N 1 1 361.530 1.681 50 0 FDAAMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000095376621 525050775 /nfs/dbraw/zinc/05/07/75/525050775.db2.gz BERKGZNGFZXTFA-SFHVURJKSA-N 1 1 365.861 1.775 50 0 FDAAMO CCNc1ncc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 ZINC000095382423 525055396 /nfs/dbraw/zinc/05/53/96/525055396.db2.gz MVMJLHCUNVXMBJ-YLJYHZDGSA-N 1 1 373.501 1.494 50 0 FDAAMO CCNc1ncc(C[N@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 ZINC000095382423 525055407 /nfs/dbraw/zinc/05/54/07/525055407.db2.gz MVMJLHCUNVXMBJ-YLJYHZDGSA-N 1 1 373.501 1.494 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000095387374 525060175 /nfs/dbraw/zinc/06/01/75/525060175.db2.gz ACVFCMDCXCVNHG-SFHVURJKSA-N 1 1 351.454 1.572 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000095387374 525060187 /nfs/dbraw/zinc/06/01/87/525060187.db2.gz ACVFCMDCXCVNHG-SFHVURJKSA-N 1 1 351.454 1.572 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095391811 525066006 /nfs/dbraw/zinc/06/60/06/525066006.db2.gz QDZOYXANQJGYQT-CYBMUJFWSA-N 1 1 368.445 1.583 50 0 FDAAMO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCC(O)CC2)cc1OC ZINC000095496812 525080594 /nfs/dbraw/zinc/08/05/94/525080594.db2.gz IUNVDSPTOTYQSI-SFHVURJKSA-N 1 1 366.502 1.733 50 0 FDAAMO CCOC(=O)N1CCC([N@H+]2CCN(Cc3ccccc3)C[C@H](O)C2)CC1 ZINC000095497093 525080699 /nfs/dbraw/zinc/08/06/99/525080699.db2.gz FADYOHIADXYPBV-IBGZPJMESA-N 1 1 361.486 1.786 50 0 FDAAMO CCOC(=O)N1CCC(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)CC1 ZINC000095497093 525080710 /nfs/dbraw/zinc/08/07/10/525080710.db2.gz FADYOHIADXYPBV-IBGZPJMESA-N 1 1 361.486 1.786 50 0 FDAAMO CCOC(=O)N1CCC(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)CC1 ZINC000095497093 525080717 /nfs/dbraw/zinc/08/07/17/525080717.db2.gz FADYOHIADXYPBV-IBGZPJMESA-N 1 1 361.486 1.786 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)S(=O)(=O)N(C)C)C1 ZINC000095509091 525090932 /nfs/dbraw/zinc/09/09/32/525090932.db2.gz XDVNYFWPLUFWCZ-INIZCTEOSA-N 1 1 369.531 1.688 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095516491 525095507 /nfs/dbraw/zinc/09/55/07/525095507.db2.gz UIHSAQUHQMCEQU-SFHVURJKSA-N 1 1 371.485 1.611 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000095516491 525095513 /nfs/dbraw/zinc/09/55/13/525095513.db2.gz UIHSAQUHQMCEQU-SFHVURJKSA-N 1 1 371.485 1.611 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(N(C)C)cc2)C[N@@H+]1C ZINC000095520786 525098945 /nfs/dbraw/zinc/09/89/45/525098945.db2.gz IPBPRWPOILJTOQ-AEFFLSMTSA-N 1 1 360.502 1.352 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(N(C)C)cc2)C[N@H+]1C ZINC000095520786 525098953 /nfs/dbraw/zinc/09/89/53/525098953.db2.gz IPBPRWPOILJTOQ-AEFFLSMTSA-N 1 1 360.502 1.352 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2C)C[N@@H+]1CCCOC ZINC000096151329 525141832 /nfs/dbraw/zinc/14/18/32/525141832.db2.gz AKXYXJMQDFJYAE-ROUUACIJSA-N 1 1 361.486 1.269 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2C)C[N@H+]1CCCOC ZINC000096151329 525141840 /nfs/dbraw/zinc/14/18/40/525141840.db2.gz AKXYXJMQDFJYAE-ROUUACIJSA-N 1 1 361.486 1.269 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2O)C[N@@H+]1CCCOC ZINC000096160034 525144339 /nfs/dbraw/zinc/14/43/39/525144339.db2.gz ZBTOKUOWUIZRGS-HOCLYGCPSA-N 1 1 363.458 1.046 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)ccc2O)C[N@H+]1CCCOC ZINC000096160034 525144346 /nfs/dbraw/zinc/14/43/46/525144346.db2.gz ZBTOKUOWUIZRGS-HOCLYGCPSA-N 1 1 363.458 1.046 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ccc(O)cc3)c2)C1 ZINC000097098900 525173094 /nfs/dbraw/zinc/17/30/94/525173094.db2.gz IIRKCGMXMOPSRL-SFHVURJKSA-N 1 1 367.449 1.986 50 0 FDAAMO O=C(NCCc1cccc(F)c1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000097137880 525175598 /nfs/dbraw/zinc/17/55/98/525175598.db2.gz OLZSLMGLXBQKJT-KRWDZBQOSA-N 1 1 368.474 1.384 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCC1 ZINC000097729570 525192228 /nfs/dbraw/zinc/19/22/28/525192228.db2.gz PAMVEUIZYIHJRZ-UHFFFAOYSA-N 1 1 360.506 1.141 50 0 FDAAMO O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000182015467 526020257 /nfs/dbraw/zinc/02/02/57/526020257.db2.gz LBSDASZUTCJTRY-GOSISDBHSA-N 1 1 370.497 1.567 50 0 FDAAMO O=C(C1CCC1)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020254940 526294032 /nfs/dbraw/zinc/29/40/32/526294032.db2.gz OKVZDQDPENLJIV-NHCUHLMSSA-N 1 1 371.525 1.609 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085558120 526524652 /nfs/dbraw/zinc/52/46/52/526524652.db2.gz PODXNIKMTUKFLU-SFHVURJKSA-N 1 1 371.481 1.358 50 0 FDAAMO CN(Cc1cccc(-c2nn[nH]n2)c1)c1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000065497378 536475776 /nfs/dbraw/zinc/47/57/76/536475776.db2.gz OVRNGKICNICSDI-HNNXBMFYSA-N 1 1 366.429 1.254 50 0 FDAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n1 ZINC000080338757 527457351 /nfs/dbraw/zinc/45/73/51/527457351.db2.gz OAUHXXFDGPGASV-DOMZBBRYSA-N 1 1 359.455 1.770 50 0 FDAAMO CCCc1ncncc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299800732 528769925 /nfs/dbraw/zinc/76/99/25/528769925.db2.gz XXZABYJOJWUUCI-QZTJIDSGSA-N 1 1 373.457 1.399 50 0 FDAAMO CCCc1ncncc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299800732 528769930 /nfs/dbraw/zinc/76/99/30/528769930.db2.gz XXZABYJOJWUUCI-QZTJIDSGSA-N 1 1 373.457 1.399 50 0 FDAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000095381245 536382480 /nfs/dbraw/zinc/38/24/80/536382480.db2.gz FKVLCWKKULQVSG-CQSZACIVSA-N 1 1 357.462 1.124 50 0 FDAAMO C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095381245 536382482 /nfs/dbraw/zinc/38/24/82/536382482.db2.gz FKVLCWKKULQVSG-CQSZACIVSA-N 1 1 357.462 1.124 50 0 FDAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095381245 536382487 /nfs/dbraw/zinc/38/24/87/536382487.db2.gz FKVLCWKKULQVSG-CQSZACIVSA-N 1 1 357.462 1.124 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000252452550 537249908 /nfs/dbraw/zinc/24/99/08/537249908.db2.gz OJFZSMAPWUWKCC-OXJNMPFZSA-N 1 1 370.453 1.890 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000252452550 537249909 /nfs/dbraw/zinc/24/99/09/537249909.db2.gz OJFZSMAPWUWKCC-OXJNMPFZSA-N 1 1 370.453 1.890 50 0 FDAAMO O=C(Cc1ccccc1Cl)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257190377 537252952 /nfs/dbraw/zinc/25/29/52/537252952.db2.gz OQBTWGVRMYZHRG-WMLDXEAASA-N 1 1 352.862 1.470 50 0 FDAAMO COc1ccnc(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000221273981 537498335 /nfs/dbraw/zinc/49/83/35/537498335.db2.gz NDHAVUCIXKDVHH-LJQANCHMSA-N 1 1 355.438 1.998 50 0 FDAAMO COc1ccnc(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000221273981 537498341 /nfs/dbraw/zinc/49/83/41/537498341.db2.gz NDHAVUCIXKDVHH-LJQANCHMSA-N 1 1 355.438 1.998 50 0 FDAAMO CCOCC[NH+]1CCN(C(=O)Cn2c(=O)cc(C)c3ccccc32)CC1 ZINC000299774969 537594857 /nfs/dbraw/zinc/59/48/57/537594857.db2.gz JTTJWIQKPGDMHS-UHFFFAOYSA-N 1 1 357.454 1.491 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000239611958 537644835 /nfs/dbraw/zinc/64/48/35/537644835.db2.gz FGBJSPHPIGKLLA-ZDUSSCGKSA-N 1 1 350.806 1.838 50 0 FDAAMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccoc2C2(O)CCOCC2)C[C@H](C)O1 ZINC000239807513 537645561 /nfs/dbraw/zinc/64/55/61/537645561.db2.gz CSPIMOYQTPGDCQ-GASCZTMLSA-N 1 1 366.458 1.507 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000244734797 537650978 /nfs/dbraw/zinc/65/09/78/537650978.db2.gz NMBDSTJANXNBFG-CYBMUJFWSA-N 1 1 355.402 1.132 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000244734797 537650983 /nfs/dbraw/zinc/65/09/83/537650983.db2.gz NMBDSTJANXNBFG-CYBMUJFWSA-N 1 1 355.402 1.132 50 0 FDAAMO O=C(C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1)N1CCCCCC1 ZINC000244724350 537651572 /nfs/dbraw/zinc/65/15/72/537651572.db2.gz MSKXWQYHOFEZEI-QZTJIDSGSA-N 1 1 359.470 1.254 50 0 FDAAMO O=C(C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1)N1CCCCCC1 ZINC000244724350 537651574 /nfs/dbraw/zinc/65/15/74/537651574.db2.gz MSKXWQYHOFEZEI-QZTJIDSGSA-N 1 1 359.470 1.254 50 0 FDAAMO Cc1cccc2nc(CCNC(=O)NCc3cc4n(n3)CCC[NH2+]C4)[nH]c21 ZINC000426740310 538126607 /nfs/dbraw/zinc/12/66/07/538126607.db2.gz AZMNDQMIFXJNLD-UHFFFAOYSA-N 1 1 367.457 1.603 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCCC2)C(=O)NC(C)(C)CN1CCOCC1 ZINC000426614994 538425573 /nfs/dbraw/zinc/42/55/73/538425573.db2.gz BVWRQXVECUZGLW-UHFFFAOYSA-N 1 1 363.506 1.931 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2ccc3[nH]cnc3c2)C[C@@H]1CCO ZINC000584901621 551567362 /nfs/dbraw/zinc/56/73/62/551567362.db2.gz VVTUVNUOVYJNDM-INIZCTEOSA-N 1 1 359.474 1.797 50 0 FDAAMO CC(C)C[N@@H+]1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C[C@@H]1CCO ZINC000584901621 551567366 /nfs/dbraw/zinc/56/73/66/551567366.db2.gz VVTUVNUOVYJNDM-INIZCTEOSA-N 1 1 359.474 1.797 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C[C@@H]1CCO ZINC000584901621 551567369 /nfs/dbraw/zinc/56/73/69/551567369.db2.gz VVTUVNUOVYJNDM-INIZCTEOSA-N 1 1 359.474 1.797 50 0 FDAAMO Cc1ccc(N(C)C)cc1NC(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000426489298 570608907 /nfs/dbraw/zinc/60/89/07/570608907.db2.gz BUDFFRVHLQPMKJ-UHFFFAOYSA-N 1 1 373.501 1.926 50 0 FDAAMO O=C(Cn1ccc(=O)c2ccccc21)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000426504476 570613858 /nfs/dbraw/zinc/61/38/58/570613858.db2.gz LOUZRYMCIXNHEK-WMZOPIPTSA-N 1 1 355.438 1.371 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2cnc3ccccn23)C[C@@H]1CCO ZINC000426521148 570614297 /nfs/dbraw/zinc/61/42/97/570614297.db2.gz DKAWRNHOJLYQSL-INIZCTEOSA-N 1 1 359.474 1.569 50 0 FDAAMO CC(C)C[N@H+]1CCCN(S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)CC1 ZINC000670470870 571044302 /nfs/dbraw/zinc/04/43/02/571044302.db2.gz DNUSHMQMXZTOLH-UHFFFAOYSA-N 1 1 353.444 1.886 50 0 FDAAMO O=C(N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000244787968 571116528 /nfs/dbraw/zinc/11/65/28/571116528.db2.gz QHCNNPKPGJUAJG-IRXDYDNUSA-N 1 1 364.873 1.666 50 0 FDAAMO O=C(N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000244787968 571116530 /nfs/dbraw/zinc/11/65/30/571116530.db2.gz QHCNNPKPGJUAJG-IRXDYDNUSA-N 1 1 364.873 1.666 50 0 FDAAMO COc1ccccc1CN1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426380185 571135448 /nfs/dbraw/zinc/13/54/48/571135448.db2.gz XFWABOQYQOQUFN-MRXNPFEDSA-N 1 1 369.469 1.894 50 0 FDAAMO COc1ccc2[nH]c(CCNc3cc([C@@H]4CCOC4)[nH+]c(N)n3)nc2c1 ZINC000426429059 571135557 /nfs/dbraw/zinc/13/55/57/571135557.db2.gz XIWBGFPXIZHCDS-LLVKDONJSA-N 1 1 354.414 1.524 50 0 FDAAMO O=C(NC1Cc2ccccc2C1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000299759127 571192917 /nfs/dbraw/zinc/19/29/17/571192917.db2.gz ONKIADSZLIZQKX-GOSISDBHSA-N 1 1 362.495 1.169 50 0 FDAAMO O=C([C@H]1CCS(=O)(=O)C1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000299763567 571194061 /nfs/dbraw/zinc/19/40/61/571194061.db2.gz OTUQHYQXGDVTMC-KRWDZBQOSA-N 1 1 362.495 1.123 50 0 FDAAMO O=C([C@H]1CCS(=O)(=O)C1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000299763567 571194062 /nfs/dbraw/zinc/19/40/62/571194062.db2.gz OTUQHYQXGDVTMC-KRWDZBQOSA-N 1 1 362.495 1.123 50 0 FDAAMO Cc1cc(N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)nc(-c2ccccc2)n1 ZINC000299767789 571195181 /nfs/dbraw/zinc/19/51/81/571195181.db2.gz OLSYVRSSUYXGNM-IAGOWNOFSA-N 1 1 369.469 1.387 50 0 FDAAMO Cc1cc(N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)nc(-c2ccccc2)n1 ZINC000299767789 571195183 /nfs/dbraw/zinc/19/51/83/571195183.db2.gz OLSYVRSSUYXGNM-IAGOWNOFSA-N 1 1 369.469 1.387 50 0 FDAAMO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000299768113 571195214 /nfs/dbraw/zinc/19/52/14/571195214.db2.gz GDNRFVBVTKFZEJ-MRXNPFEDSA-N 1 1 370.457 1.374 50 0 FDAAMO Cc1nc(C)c(CNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000299783268 571198643 /nfs/dbraw/zinc/19/86/43/571198643.db2.gz ZQOGVNDVTUFJHQ-AWEZNQCLSA-N 1 1 371.528 1.275 50 0 FDAAMO COc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(C)n2)cc1OCCC[NH3+] ZINC000299785964 571199521 /nfs/dbraw/zinc/19/95/21/571199521.db2.gz LFMIWWNKGLJFBB-AWEZNQCLSA-N 1 1 359.430 1.827 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000426606708 571233098 /nfs/dbraw/zinc/23/30/98/571233098.db2.gz GRBXLFPLTMIAKJ-INIZCTEOSA-N 1 1 356.474 1.498 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1onc2c1CCCC2 ZINC000426621634 571233505 /nfs/dbraw/zinc/23/35/05/571233505.db2.gz KTQWPNWGWJMCFN-IAGOWNOFSA-N 1 1 356.426 1.314 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1onc2c1CCCC2 ZINC000426621634 571233506 /nfs/dbraw/zinc/23/35/06/571233506.db2.gz KTQWPNWGWJMCFN-IAGOWNOFSA-N 1 1 356.426 1.314 50 0 FDAAMO CN(CCO)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426691179 571235476 /nfs/dbraw/zinc/23/54/76/571235476.db2.gz LPHAQHMQJQKRMJ-OAQYLSRUSA-N 1 1 359.514 1.468 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O ZINC000252516999 571282054 /nfs/dbraw/zinc/28/20/54/571282054.db2.gz YQJIVXPONLYOSF-IAGOWNOFSA-N 1 1 361.486 1.858 50 0 FDAAMO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000253370281 571311743 /nfs/dbraw/zinc/31/17/43/571311743.db2.gz OPOKTSWZVIYFFM-QAPCUYQASA-N 1 1 372.469 1.785 50 0 FDAAMO CCOC[C@H](C)CS(=O)(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000253427881 571313209 /nfs/dbraw/zinc/31/32/09/571313209.db2.gz HCVZKYLWCMPNDO-IRXDYDNUSA-N 1 1 363.568 1.337 50 0 FDAAMO CCn1nc(CO)c2c1CC[N@H+](CCC(=O)NCc1ccccc1F)C2 ZINC000670452982 571352882 /nfs/dbraw/zinc/35/28/82/571352882.db2.gz OPFGCDDJXSVOSX-UHFFFAOYSA-N 1 1 360.433 1.599 50 0 FDAAMO CCn1nc(CO)c2c1CC[N@@H+](CCC(=O)NCc1ccccc1F)C2 ZINC000670452982 571352883 /nfs/dbraw/zinc/35/28/83/571352883.db2.gz OPFGCDDJXSVOSX-UHFFFAOYSA-N 1 1 360.433 1.599 50 0 FDAAMO O=C(CC(F)(F)F)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000015069033 670627067 /nfs/dbraw/zinc/62/70/67/670627067.db2.gz WUFOJZCZGKFGSU-GFCCVEGCSA-N 1 1 361.408 1.920 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(F)cc3Cl)C[C@H]2O)CC1 ZINC000019229047 670666234 /nfs/dbraw/zinc/66/62/34/670666234.db2.gz BKTNWQAPRTZRKL-HZPDHXFCSA-N 1 1 355.841 1.302 50 0 FDAAMO Cc1cc2c(cn1)CN(C(=O)C1CC[NH+]([C@H]3CCS(=O)(=O)C3)CC1)C2 ZINC000299758937 676539251 /nfs/dbraw/zinc/53/92/51/676539251.db2.gz FSOGJXOMPZGKKJ-KRWDZBQOSA-N 1 1 363.483 1.131 50 0 FDAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091587293 779984747 /nfs/dbraw/zinc/98/47/47/779984747.db2.gz RYDFMQJWWSJQPX-UHFFFAOYSA-N 1 1 372.473 1.869 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](c2nnc3n2CCN(C(=O)c2cccnc2)CC3)C1 ZINC000257177358 793843828 /nfs/dbraw/zinc/84/38/28/793843828.db2.gz AZWGSOIUPASIEZ-QGZVFWFLSA-N 1 1 368.485 1.817 50 0 FDAAMO Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257181954 793920195 /nfs/dbraw/zinc/92/01/95/793920195.db2.gz GBWCOMGYZYHLDM-PKOBYXMFSA-N 1 1 356.470 1.568 50 0 FDAAMO COc1ccccc1-c1n[nH]cc1C[N@H+]1C[C@@H](CO)[C@H](C(=O)N(C)C)C1 ZINC000257187876 793964208 /nfs/dbraw/zinc/96/42/08/793964208.db2.gz CQBHJYAXFSCCJI-GOEBONIOSA-N 1 1 358.442 1.214 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@H]3CCN(C(C)=O)C[C@@]3(CO)C2)cc1OC ZINC000675021369 795241272 /nfs/dbraw/zinc/24/12/72/795241272.db2.gz NVUJJAXMQAILKT-YLJYHZDGSA-N 1 1 362.470 1.757 50 0 FDAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](CCCc3ccccc3)CC[C@@]2(CO)C1 ZINC000675021553 795246158 /nfs/dbraw/zinc/24/61/58/795246158.db2.gz QMRIFCSYCLKHGW-MSOLQXFVSA-N 1 1 352.500 1.195 50 0 FDAAMO C[NH+]1CCN(C(=O)C[C@@H]2CCCN(c3cnn(CC4CC4)c(=O)c3)C2)CC1 ZINC000169765387 864497155 /nfs/dbraw/zinc/49/71/55/864497155.db2.gz DZCWZIVAXZPEBT-KRWDZBQOSA-N 1 1 373.501 1.034 50 0 FDAAMO CC[N@@H+](CCNC(=O)[C@H]1CCN(c2cn[nH]c(=O)c2)C1)Cc1ccccc1 ZINC000169785451 864515629 /nfs/dbraw/zinc/51/56/29/864515629.db2.gz SEYVGNBMLVWFTC-KRWDZBQOSA-N 1 1 369.469 1.235 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)c1cccc2[nH]ccc21 ZINC000257192941 864721661 /nfs/dbraw/zinc/72/16/61/864721661.db2.gz WMAIGWUNGRKBPU-IFXJQAMLSA-N 1 1 350.422 1.786 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)c1cccc2[nH]ccc21 ZINC000257192941 864721665 /nfs/dbraw/zinc/72/16/65/864721665.db2.gz WMAIGWUNGRKBPU-IFXJQAMLSA-N 1 1 350.422 1.786 50 0 FDAAMO CSc1ncc(CN2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cn1 ZINC000011937107 872635859 /nfs/dbraw/zinc/63/58/59/872635859.db2.gz XZNYNZBYRUYTHP-QZTJIDSGSA-N 1 1 373.526 1.703 50 0 FDAAMO O=C(N1CCOCC1)N1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000063884760 901715773 /nfs/dbraw/zinc/71/57/73/901715773.db2.gz JLRJSGUSHXGHNX-ZWKOTPCHSA-N 1 1 350.507 1.321 50 0 FDAAMO Cc1nc(N)sc1CC(=O)N1CCC2(CC1)C[N@@H+](CC(C)C)CCO2 ZINC000821285624 919685710 /nfs/dbraw/zinc/68/57/10/919685710.db2.gz OYXPUVLQNOIRNG-UHFFFAOYSA-N 1 1 366.531 1.926 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)CCc1nc2ccccc2[nH]c1=O ZINC000823557306 921946547 /nfs/dbraw/zinc/94/65/47/921946547.db2.gz LPLLVSRIAVSZNW-UHFFFAOYSA-N 1 1 353.426 1.821 50 0 FDAAMO Cc1cccc(-n2nc(CC(N)=O)nc2CCC[NH+]2CCOCC2)c1C ZINC000826842139 924329717 /nfs/dbraw/zinc/32/97/17/924329717.db2.gz LBVJLBYEILEFCX-UHFFFAOYSA-N 1 1 357.458 1.177 50 0 FDAAMO O=C(CCCN1CCCC1=O)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000827939549 924792010 /nfs/dbraw/zinc/79/20/10/924792010.db2.gz IQESEKSXSIRICH-QGZVFWFLSA-N 1 1 351.491 1.492 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)Cc1ccccc1)CC2 ZINC000581802541 927588483 /nfs/dbraw/zinc/58/84/83/927588483.db2.gz JXLUFCMNWZQYFK-HXUWFJFHSA-N 1 1 371.525 1.874 50 0 FDAAMO COCCOCC(=O)N1CCC2(C[C@@H](c3nc(C)no3)[N@H+](C)C2)CC1 ZINC000581802818 927588681 /nfs/dbraw/zinc/58/86/81/927588681.db2.gz PJDISXHDYOMLFJ-AWEZNQCLSA-N 1 1 352.435 1.026 50 0 FDAAMO COCCOCC(=O)N1CCC2(C[C@@H](c3nc(C)no3)[N@@H+](C)C2)CC1 ZINC000581802818 927588683 /nfs/dbraw/zinc/58/86/83/927588683.db2.gz PJDISXHDYOMLFJ-AWEZNQCLSA-N 1 1 352.435 1.026 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)C1CC=CC1)CC2 ZINC000581803446 927599798 /nfs/dbraw/zinc/59/97/98/927599798.db2.gz YRYUHGHEYRJCSH-KRWDZBQOSA-N 1 1 361.486 1.124 50 0 FDAAMO Cc1c[nH+]c(C[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1CC1CC1 ZINC000581806074 927602515 /nfs/dbraw/zinc/60/25/15/927602515.db2.gz RZZOPWNSSMBMTC-OAHLLOKOSA-N 1 1 363.487 1.588 50 0 FDAAMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000585084749 943911836 /nfs/dbraw/zinc/91/18/36/943911836.db2.gz PUBZTGGYSRRZTB-AWEZNQCLSA-N 1 1 350.444 1.841 50 0 FDAAMO CC(C)Cc1cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)n[nH]1 ZINC000043071760 951971297 /nfs/dbraw/zinc/97/12/97/951971297.db2.gz RIPDUMZZNHNETH-HXUWFJFHSA-N 1 1 363.550 1.571 50 0 FDAAMO CC(C)Cc1cc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)[nH]n1 ZINC000043071760 951971300 /nfs/dbraw/zinc/97/13/00/951971300.db2.gz RIPDUMZZNHNETH-HXUWFJFHSA-N 1 1 363.550 1.571 50 0 FDAAMO CC(C)Cc1cc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)[nH]n1 ZINC000043071760 951971302 /nfs/dbraw/zinc/97/13/02/951971302.db2.gz RIPDUMZZNHNETH-HXUWFJFHSA-N 1 1 363.550 1.571 50 0 FDAAMO CC(C)n1ccnc1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000952868812 960207683 /nfs/dbraw/zinc/20/76/83/960207683.db2.gz GWJOLWGMFLQOPY-JKSUJKDBSA-N 1 1 361.490 1.367 50 0 FDAAMO CCNC(=O)c1ccc(NC(=O)C2CC[NH+](CC(N)=O)CC2)cc1Cl ZINC000952869033 960209277 /nfs/dbraw/zinc/20/92/77/960209277.db2.gz KYGCHLMQWXFKNR-UHFFFAOYSA-N 1 1 366.849 1.226 50 0 FDAAMO CC1CCN(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000952866938 960237429 /nfs/dbraw/zinc/23/74/29/960237429.db2.gz HBUCYIPINYHVOU-GOSISDBHSA-N 1 1 351.516 1.952 50 0 FDAAMO CC1CCN(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000952866938 960237433 /nfs/dbraw/zinc/23/74/33/960237433.db2.gz HBUCYIPINYHVOU-GOSISDBHSA-N 1 1 351.516 1.952 50 0 FDAAMO Cc1cc(C)cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000952975410 960271050 /nfs/dbraw/zinc/27/10/50/960271050.db2.gz DSPMLGFFQSTRLS-GOSISDBHSA-N 1 1 365.543 1.952 50 0 FDAAMO CCCN1CCC[C@]2(CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O ZINC000091665859 1006641664 /nfs/dbraw/zinc/64/16/64/1006641664.db2.gz RLIWIWOFHGUPIH-HXUWFJFHSA-N 1 1 370.453 1.625 50 0 FDAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc3nncn3c(N)n2)cc1 ZINC000534634804 540392059 /nfs/dbraw/zinc/39/20/59/540392059.db2.gz UGDALPLMQKCPIB-OAHLLOKOSA-N 1 1 365.441 1.588 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)c2cccc(-c3ccc(=O)n(C)n3)c2)c1C ZINC000534652322 540394889 /nfs/dbraw/zinc/39/48/89/540394889.db2.gz FJCUVIURWDABHA-UHFFFAOYSA-N 1 1 351.410 1.691 50 0 FDAAMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC000534663935 540397568 /nfs/dbraw/zinc/39/75/68/540397568.db2.gz LRVIWUORVOSZQA-KRWDZBQOSA-N 1 1 374.485 1.533 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000299798515 223102918 /nfs/dbraw/zinc/10/29/18/223102918.db2.gz SDOJKCSCTLNTEK-QGZVFWFLSA-N 1 1 354.454 1.905 50 0 FDAAMO Cc1c(C)n2c3c(nc2n1CC[N@@H+]1CCC[C@H](C)C1)n(C)c(=O)n(C)c3=O ZINC000010233881 204001194 /nfs/dbraw/zinc/00/11/94/204001194.db2.gz QKRGWAFYKBIWCS-LBPRGKRZSA-N 1 1 372.473 1.035 50 0 FDAAMO Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000003812989 204110163 /nfs/dbraw/zinc/11/01/63/204110163.db2.gz NETZHAKZCGBWSS-CEDHKZHLSA-N 1 1 357.450 1.707 50 0 fda FDAAMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000032674818 204934456 /nfs/dbraw/zinc/93/44/56/204934456.db2.gz MMZFHNPSWQVZAD-UZLBHIALSA-N 1 1 370.453 1.098 50 0 FDAAMO Cn1cc(C(=O)N2CC[NH+](CCn3ccnc3-c3ccccc3)CC2)nn1 ZINC000077159310 205036854 /nfs/dbraw/zinc/03/68/54/205036854.db2.gz ZNXDPAMEZXEEDX-UHFFFAOYSA-N 1 1 365.441 1.137 50 0 FDAAMO Cn1nc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)n(C2CC2)c1=O ZINC000077154215 205037617 /nfs/dbraw/zinc/03/76/17/205037617.db2.gz JVQJWIPJSNRRBY-UHFFFAOYSA-N 1 1 359.430 1.006 50 0 FDAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000038149283 205038160 /nfs/dbraw/zinc/03/81/60/205038160.db2.gz AXGGWCDZWZJVAB-GOSISDBHSA-N 1 1 372.469 1.655 50 0 FDAAMO O=C(C1CCC(Cn2cnnn2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040282952 205065097 /nfs/dbraw/zinc/06/50/97/205065097.db2.gz SVFDNDXJPQFNKF-UHFFFAOYSA-N 1 1 368.485 1.824 50 0 FDAAMO C[C@@H](C(=O)NC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000047246479 205144367 /nfs/dbraw/zinc/14/43/67/205144367.db2.gz DWDDHPSCPBWMSB-LBPRGKRZSA-N 1 1 354.447 1.731 50 0 FDAAMO O=C(Cc1ccccc1Cl)NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000047635399 205149193 /nfs/dbraw/zinc/14/91/93/205149193.db2.gz QCOPNVDAJBFEDJ-DOTOQJQBSA-N 1 1 352.862 1.736 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2nc3ccccn3c2=O)c1 ZINC000048273578 205155220 /nfs/dbraw/zinc/15/52/20/205155220.db2.gz XDBPJVHXMLLUAI-UHFFFAOYSA-N 1 1 353.426 1.264 50 0 FDAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCCc2nnnn2-c2ccccc2)C1 ZINC000051908942 205184251 /nfs/dbraw/zinc/18/42/51/205184251.db2.gz TVFMTUXWHNDFEX-QGZVFWFLSA-N 1 1 368.485 1.833 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979053 205202930 /nfs/dbraw/zinc/20/29/30/205202930.db2.gz QKJTVAICJYSOAM-KRWDZBQOSA-N 1 1 373.409 1.682 50 0 FDAAMO CCCC(=O)Nc1ccc(CC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000055131437 205207691 /nfs/dbraw/zinc/20/76/91/205207691.db2.gz XMHDNOAJLSGQSK-QGZVFWFLSA-N 1 1 361.486 1.788 50 0 FDAAMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000055244406 205211284 /nfs/dbraw/zinc/21/12/84/205211284.db2.gz DJHGRWPEGKBSQB-GFCCVEGCSA-N 1 1 365.459 1.531 50 0 FDAAMO Cc1occc1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000056864868 205233052 /nfs/dbraw/zinc/23/30/52/205233052.db2.gz LZVZVZSYPRRIRW-OAHLLOKOSA-N 1 1 362.474 1.787 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1ccccc1OC ZINC000057731076 205244166 /nfs/dbraw/zinc/24/41/66/205244166.db2.gz KOVCPRFBEPXUKE-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO CC(C)(CO)NC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000055386138 205217407 /nfs/dbraw/zinc/21/74/07/205217407.db2.gz XGVXHUALINUVTI-SFHVURJKSA-N 1 1 369.465 1.417 50 0 FDAAMO CC(C)(CO)NC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000055386138 205217411 /nfs/dbraw/zinc/21/74/11/205217411.db2.gz XGVXHUALINUVTI-SFHVURJKSA-N 1 1 369.465 1.417 50 0 FDAAMO CC(C)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000055386136 205218585 /nfs/dbraw/zinc/21/85/85/205218585.db2.gz XGVXHUALINUVTI-GOSISDBHSA-N 1 1 369.465 1.417 50 0 FDAAMO CC(C)(CO)NC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000055386136 205218589 /nfs/dbraw/zinc/21/85/89/205218589.db2.gz XGVXHUALINUVTI-GOSISDBHSA-N 1 1 369.465 1.417 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2occc2C)CC1 ZINC000058186452 205256838 /nfs/dbraw/zinc/25/68/38/205256838.db2.gz HVSJQEWXQJMSIA-GFCCVEGCSA-N 1 1 350.419 1.016 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775983 205304904 /nfs/dbraw/zinc/30/49/04/205304904.db2.gz YIXSOXBIGUEPBW-AWEZNQCLSA-N 1 1 367.453 1.613 50 0 FDAAMO COc1ccc(C(=O)NCCNc2cc(N(C)C)[nH+]c(C)n2)cc1OC ZINC000065364250 205339691 /nfs/dbraw/zinc/33/96/91/205339691.db2.gz QLFOAKYRXYZEKJ-UHFFFAOYSA-N 1 1 359.430 1.710 50 0 FDAAMO CN(C)c1nc(NCc2ccc(S(N)(=O)=O)cc2)c2c([nH+]1)CCCC2 ZINC000065380720 205341118 /nfs/dbraw/zinc/34/11/18/205341118.db2.gz PHBVXSIEOPESIK-UHFFFAOYSA-N 1 1 361.471 1.681 50 0 FDAAMO Cc1cc(C)cc(N2CCC([N@@H+]3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)CC2)c1 ZINC000065408225 205348864 /nfs/dbraw/zinc/34/88/64/205348864.db2.gz XAXNCIFMPQNKKD-VXKWHMMOSA-N 1 1 372.557 1.565 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccs3)CC2)ncn1 ZINC000067622902 205379115 /nfs/dbraw/zinc/37/91/15/205379115.db2.gz BRWXESVJQKDSHJ-UHFFFAOYSA-N 1 1 354.439 1.995 50 0 FDAAMO CNC(=O)C[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)Nc2cn(C)nc2C)c1 ZINC000067821107 205393902 /nfs/dbraw/zinc/39/39/02/205393902.db2.gz PAAMPGSAXQNVRM-CYBMUJFWSA-N 1 1 357.458 1.937 50 0 FDAAMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1 ZINC000067714629 205385234 /nfs/dbraw/zinc/38/52/34/205385234.db2.gz ZCYLQEFJGJEQKI-DLBZAZTESA-N 1 1 354.406 1.865 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000067772765 205390511 /nfs/dbraw/zinc/39/05/11/205390511.db2.gz DWLIVJNQHFUOKV-QGZVFWFLSA-N 1 1 358.490 1.674 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000067834129 205395527 /nfs/dbraw/zinc/39/55/27/205395527.db2.gz ZOYOOCGWNOORKI-MRXNPFEDSA-N 1 1 371.489 1.751 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000067834129 205395530 /nfs/dbraw/zinc/39/55/30/205395530.db2.gz ZOYOOCGWNOORKI-MRXNPFEDSA-N 1 1 371.489 1.751 50 0 FDAAMO COCCN1CC[C@]2(CN(Cc3coc(C)n3)CC[N@H+]2C)CCC1=O ZINC000091644479 205685012 /nfs/dbraw/zinc/68/50/12/205685012.db2.gz UTKPOSIPABIJNG-SFHVURJKSA-N 1 1 350.463 1.128 50 0 FDAAMO CN(C)C(=O)NCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091755459 205692604 /nfs/dbraw/zinc/69/26/04/205692604.db2.gz NBBSXQFYRUKJFE-GOSISDBHSA-N 1 1 372.513 1.986 50 0 FDAAMO COCC(=O)N1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095378377 205744718 /nfs/dbraw/zinc/74/47/18/205744718.db2.gz ACYWRQQQBUYACH-GOSISDBHSA-N 1 1 373.497 1.510 50 0 FDAAMO Cc1nnc(CN2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)s1 ZINC000096180744 205847349 /nfs/dbraw/zinc/84/73/49/205847349.db2.gz COEDXWZXRVSOHF-UHFFFAOYSA-N 1 1 372.502 1.908 50 0 FDAAMO COCCN1CC[C@@]2(CN(Cc3c(C)noc3C)CC[N@H+]2C)CCC1=O ZINC000107417942 206019890 /nfs/dbraw/zinc/01/98/90/206019890.db2.gz NTCDQNNABLGMNM-LJQANCHMSA-N 1 1 364.490 1.437 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000248134199 206127573 /nfs/dbraw/zinc/12/75/73/206127573.db2.gz ZSULKJWFWFQWJD-CVEARBPZSA-N 1 1 359.536 1.429 50 0 FDAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000006733566 206204388 /nfs/dbraw/zinc/20/43/88/206204388.db2.gz RNQFBQHVXRAHLH-OTWHNJEPSA-N 1 1 354.450 1.845 50 0 biogenic FDAAMO CC(C)[C@H](C(=O)NCCC(=O)Nc1ccccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153861 206232363 /nfs/dbraw/zinc/23/23/63/206232363.db2.gz OTWLHXKMWPPDSM-IIDMSEBBSA-N 1 1 362.474 1.660 50 0 FDAAMO C[N@H+]1CCCN(c2cnn(C[C@@H]3COc4ccccc4O3)c(=O)c2)CC1 ZINC000019884629 206334714 /nfs/dbraw/zinc/33/47/14/206334714.db2.gz BYHWYCJTYKWOMX-MRXNPFEDSA-N 1 1 356.426 1.225 50 0 FDAAMO Cc1ncc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c(-c2ccccc2)n1 ZINC000215404241 206345346 /nfs/dbraw/zinc/34/53/46/206345346.db2.gz SWELKKTTXYKINP-INIZCTEOSA-N 1 1 367.453 1.379 50 0 FDAAMO Cc1nc(C)c(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC000218799221 206374470 /nfs/dbraw/zinc/37/44/70/206374470.db2.gz ZVIDSLACUPELNK-SFHVURJKSA-N 1 1 368.481 1.910 50 0 FDAAMO Cc1cccc(CC[N@H+]2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 ZINC000218931875 206376213 /nfs/dbraw/zinc/37/62/13/206376213.db2.gz MZZQJIWGLHOXFB-LJQANCHMSA-N 1 1 352.442 1.460 50 0 FDAAMO Cc1cccc(CC[N@@H+]2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)n1 ZINC000218931875 206376217 /nfs/dbraw/zinc/37/62/17/206376217.db2.gz MZZQJIWGLHOXFB-LJQANCHMSA-N 1 1 352.442 1.460 50 0 FDAAMO C[C@H](NC(=O)CC[NH+]1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000022199537 206369333 /nfs/dbraw/zinc/36/93/33/206369333.db2.gz YUSOOHWWFNZKMV-SFHVURJKSA-N 1 1 372.513 1.494 50 0 FDAAMO CCc1cc(S(=O)(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)ccc1OC ZINC000219844210 206392422 /nfs/dbraw/zinc/39/24/22/206392422.db2.gz XZONDCCPYREMKK-XLNGHYISSA-N 1 1 354.472 1.253 50 0 FDAAMO O=C(NCCO)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908044 206395910 /nfs/dbraw/zinc/39/59/10/206395910.db2.gz XFRBAMWGAWJODE-INIZCTEOSA-N 1 1 373.478 1.072 50 0 FDAAMO O=C(NCCO)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908044 206395915 /nfs/dbraw/zinc/39/59/15/206395915.db2.gz XFRBAMWGAWJODE-INIZCTEOSA-N 1 1 373.478 1.072 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000077134119 132178858 /nfs/dbraw/zinc/17/88/58/132178858.db2.gz DCVGEXVOSJVUTC-HNNXBMFYSA-N 1 1 369.469 1.967 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000077355203 132181885 /nfs/dbraw/zinc/18/18/85/132181885.db2.gz LTSQCXHASGOUGL-UHFFFAOYSA-N 1 1 356.478 1.557 50 0 FDAAMO CN(Cc1ccc(C[NH+]2CCN(c3cccnc3)CC2)o1)S(C)(=O)=O ZINC000077375936 132182814 /nfs/dbraw/zinc/18/28/14/132182814.db2.gz NVQDUEFBOXSPIW-UHFFFAOYSA-N 1 1 364.471 1.388 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1Cc2ccccc2[C@@H](O)C1 ZINC000082087066 132193927 /nfs/dbraw/zinc/19/39/27/132193927.db2.gz DHEWFBLNAWZYHH-SFHVURJKSA-N 1 1 367.453 1.226 50 0 FDAAMO Nc1cc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)nc[nH+]1 ZINC000092028276 132205779 /nfs/dbraw/zinc/20/57/79/132205779.db2.gz VZAVBRAROHEIQH-UHFFFAOYSA-N 1 1 365.445 1.614 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000097393964 132228954 /nfs/dbraw/zinc/22/89/54/132228954.db2.gz FXAPHVWSRFSRTR-KRWDZBQOSA-N 1 1 373.497 1.932 50 0 FDAAMO Nc1cc(-c2ccccc2C[NH+]2CCOCC2)nc(N2CCOCC2)n1 ZINC000097475477 132229248 /nfs/dbraw/zinc/22/92/48/132229248.db2.gz ADCXRQQEAWSHJR-UHFFFAOYSA-N 1 1 355.442 1.395 50 0 FDAAMO OCC[C@@H]1CN(c2ncnc3nc[nH]c32)CC[N@H+]1CCc1ccccc1 ZINC000106956899 132241087 /nfs/dbraw/zinc/24/10/87/132241087.db2.gz ZPKIDVNDFIGFSP-MRXNPFEDSA-N 1 1 352.442 1.469 50 0 FDAAMO OCC[C@@H]1CN(c2ncnc3[nH]cnc32)CC[N@@H+]1CCc1ccccc1 ZINC000106956899 132241088 /nfs/dbraw/zinc/24/10/88/132241088.db2.gz ZPKIDVNDFIGFSP-MRXNPFEDSA-N 1 1 352.442 1.469 50 0 FDAAMO OCC[C@@H]1CN(c2ncnc3[nH]cnc32)CC[N@H+]1CCc1ccccc1 ZINC000106956899 132241089 /nfs/dbraw/zinc/24/10/89/132241089.db2.gz ZPKIDVNDFIGFSP-MRXNPFEDSA-N 1 1 352.442 1.469 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)nc1 ZINC000107001523 132241094 /nfs/dbraw/zinc/24/10/94/132241094.db2.gz UWEZOGGOFCSKJJ-KRWDZBQOSA-N 1 1 374.510 1.966 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)nc1 ZINC000107001523 132241096 /nfs/dbraw/zinc/24/10/96/132241096.db2.gz UWEZOGGOFCSKJJ-KRWDZBQOSA-N 1 1 374.510 1.966 50 0 FDAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCN(c2cnccn2)CC1 ZINC000194995336 132266878 /nfs/dbraw/zinc/26/68/78/132266878.db2.gz QIZGZJIZKSOBTD-GOSISDBHSA-N 1 1 351.454 1.615 50 0 FDAAMO Cc1cccnc1C[C@H](C)NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000299773275 132298995 /nfs/dbraw/zinc/29/89/95/132298995.db2.gz CJLHZADWCMYCCI-HNNXBMFYSA-N 1 1 368.485 1.601 50 0 FDAAMO O=C(Cn1cnnn1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000173271857 258294901 /nfs/dbraw/zinc/29/49/01/258294901.db2.gz FKTRIDJQWFGLMA-UHFFFAOYSA-N 1 1 354.458 1.720 50 0 FDAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(NCCO)n2)CC1 ZINC000040217215 136123771 /nfs/dbraw/zinc/12/37/71/136123771.db2.gz ZSHPTRZYDYUKLM-UHFFFAOYSA-N 1 1 371.420 1.111 50 0 FDAAMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072137284 136142503 /nfs/dbraw/zinc/14/25/03/136142503.db2.gz WPHZATLRXKMPTP-GOSISDBHSA-N 1 1 374.529 1.760 50 0 FDAAMO CCN(C)C(=O)CN1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072137284 136142505 /nfs/dbraw/zinc/14/25/05/136142505.db2.gz WPHZATLRXKMPTP-GOSISDBHSA-N 1 1 374.529 1.760 50 0 FDAAMO CC(C)c1nc2c(cnn2C)c(N2CCC([N@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000072150574 136142906 /nfs/dbraw/zinc/14/29/06/136142906.db2.gz ZSWQLZGBTUGVKV-HNNXBMFYSA-N 1 1 358.490 1.912 50 0 FDAAMO C[NH+]1CCN(c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ncn2)CC1 ZINC000075166230 136150227 /nfs/dbraw/zinc/15/02/27/136150227.db2.gz CCJONSPVDWJXEK-UHFFFAOYSA-N 1 1 356.386 1.601 50 0 FDAAMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000329015597 259072531 /nfs/dbraw/zinc/07/25/31/259072531.db2.gz JXBVCHMFABBVJE-GJZGRUSLSA-N 1 1 374.407 1.536 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000426514618 263615496 /nfs/dbraw/zinc/61/54/96/263615496.db2.gz HPWRFKMTXMFAFR-GOSISDBHSA-N 1 1 356.470 1.683 50 0 FDAAMO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060331 518495453 /nfs/dbraw/zinc/49/54/53/518495453.db2.gz VZNQTIPGUTYJPC-CQSZACIVSA-N 1 1 359.478 1.417 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009060298 518495466 /nfs/dbraw/zinc/49/54/66/518495466.db2.gz NQILRDFIZLMUSS-CQSZACIVSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060298 518495472 /nfs/dbraw/zinc/49/54/72/518495472.db2.gz NQILRDFIZLMUSS-CQSZACIVSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060298 518495477 /nfs/dbraw/zinc/49/54/77/518495477.db2.gz NQILRDFIZLMUSS-CQSZACIVSA-N 1 1 357.462 1.170 50 0 FDAAMO C[N@@H+](C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)C1CCOCC1 ZINC000011841972 518576160 /nfs/dbraw/zinc/57/61/60/518576160.db2.gz WPIVTGYZIXSNTI-LJQANCHMSA-N 1 1 368.424 1.929 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012196919 518597071 /nfs/dbraw/zinc/59/70/71/518597071.db2.gz DLTVQFCHZYCAPR-ZDUSSCGKSA-N 1 1 367.427 1.601 50 0 FDAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000012915625 518641463 /nfs/dbraw/zinc/64/14/63/518641463.db2.gz RDIMAWBFLLUOSQ-CYBMUJFWSA-N 1 1 353.850 1.441 50 0 FDAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000012915625 518641470 /nfs/dbraw/zinc/64/14/70/518641470.db2.gz RDIMAWBFLLUOSQ-CYBMUJFWSA-N 1 1 353.850 1.441 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000013364099 518656950 /nfs/dbraw/zinc/65/69/50/518656950.db2.gz BUXIBRXACJCCAY-ZDUSSCGKSA-N 1 1 358.398 1.603 50 0 FDAAMO CC[C@@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 ZINC000013371775 518657481 /nfs/dbraw/zinc/65/74/81/518657481.db2.gz HJUDYSWFTADQOB-UGFHNGPFSA-N 1 1 363.476 1.462 50 0 FDAAMO Cc1cc(N2CC[NH+](CCO)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000013628220 518662556 /nfs/dbraw/zinc/66/25/56/518662556.db2.gz WUNOPFBQOREOMG-UHFFFAOYSA-N 1 1 355.417 1.958 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)cc1 ZINC000015000247 518704959 /nfs/dbraw/zinc/70/49/59/518704959.db2.gz RFUWODRROXUWEY-INIZCTEOSA-N 1 1 373.457 1.236 50 0 FDAAMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019334464 518808806 /nfs/dbraw/zinc/80/88/06/518808806.db2.gz VWLAXUHLQGRKQX-UHFFFAOYSA-N 1 1 358.417 1.346 50 0 FDAAMO CCN(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020046298 518843775 /nfs/dbraw/zinc/84/37/75/518843775.db2.gz YEPYVAFMRTYLFQ-UHFFFAOYSA-N 1 1 373.906 1.515 50 0 FDAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[NH+]1CCOCC1 ZINC000020390121 518850108 /nfs/dbraw/zinc/85/01/08/518850108.db2.gz IBXWCRAIYYXIFL-UHFFFAOYSA-N 1 1 361.398 1.624 50 0 FDAAMO Cn1ncc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1=O ZINC000020537560 518852987 /nfs/dbraw/zinc/85/29/87/518852987.db2.gz HLFYESHMEXCFRH-GOSISDBHSA-N 1 1 353.470 1.177 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N3CCC[C@H](OC)C3)Cc3ccccc3C2)CC1 ZINC000020540101 518853469 /nfs/dbraw/zinc/85/34/69/518853469.db2.gz ZRNBXNWPAVWTRI-FQEVSTJZSA-N 1 1 371.525 1.799 50 0 FDAAMO COC(=O)C1CC[NH+]([C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000021817171 518884152 /nfs/dbraw/zinc/88/41/52/518884152.db2.gz PAUOQMLMQNQOSZ-KRWDZBQOSA-N 1 1 374.437 1.250 50 0 FDAAMO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022937684 518923688 /nfs/dbraw/zinc/92/36/88/518923688.db2.gz VFZHIGNKHIGAMG-GOSISDBHSA-N 1 1 358.486 1.108 50 0 FDAAMO CCS(=O)(=O)N1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000023129105 518932001 /nfs/dbraw/zinc/93/20/01/518932001.db2.gz NSUBHCNGIUWHMV-UHFFFAOYSA-N 1 1 355.508 1.641 50 0 FDAAMO CCOC(=O)CN(C)C(=O)C1(N2CC[NH+](CC)CC2)Cc2ccccc2C1 ZINC000023372958 518948752 /nfs/dbraw/zinc/94/87/52/518948752.db2.gz RZOYJKOBXVQTPE-UHFFFAOYSA-N 1 1 373.497 1.183 50 0 FDAAMO CN1CCC([N@@H+]2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000023375160 518949038 /nfs/dbraw/zinc/94/90/38/518949038.db2.gz PFTILFLCEBTHLS-INIZCTEOSA-N 1 1 353.457 1.928 50 0 FDAAMO CN1CCC([N@H+]2CCN(Cc3c(F)cccc3F)C[C@@H]2CCO)CC1 ZINC000023375160 518949046 /nfs/dbraw/zinc/94/90/46/518949046.db2.gz PFTILFLCEBTHLS-INIZCTEOSA-N 1 1 353.457 1.928 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H](O)c2cccs2)CC1)NCc1ccccc1 ZINC000026913523 519145838 /nfs/dbraw/zinc/14/58/38/519145838.db2.gz LLYGPVWBONFDJG-QGZVFWFLSA-N 1 1 359.495 1.716 50 0 FDAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000027350631 519172107 /nfs/dbraw/zinc/17/21/07/519172107.db2.gz YYCONZTYRNWOLP-LLVKDONJSA-N 1 1 352.378 1.987 50 0 FDAAMO Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000028015537 519213920 /nfs/dbraw/zinc/21/39/20/519213920.db2.gz LUFGFABXYGRWOI-SFHVURJKSA-N 1 1 361.486 1.506 50 0 FDAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000028727162 519248102 /nfs/dbraw/zinc/24/81/02/519248102.db2.gz INDDLTSXQOJIFD-CQSZACIVSA-N 1 1 373.478 1.916 50 0 FDAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000028727162 519248111 /nfs/dbraw/zinc/24/81/11/519248111.db2.gz INDDLTSXQOJIFD-CQSZACIVSA-N 1 1 373.478 1.916 50 0 FDAAMO COCCN(C[C@@H]1C[N@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000034667316 519593493 /nfs/dbraw/zinc/59/34/93/519593493.db2.gz XYAYLMJHZOGIFE-OALUTQOASA-N 1 1 364.486 1.493 50 0 FDAAMO COCCN(C[C@@H]1C[N@@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000034667316 519593497 /nfs/dbraw/zinc/59/34/97/519593497.db2.gz XYAYLMJHZOGIFE-OALUTQOASA-N 1 1 364.486 1.493 50 0 FDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034799549 519597756 /nfs/dbraw/zinc/59/77/56/519597756.db2.gz KPQHXGMMDMSOKR-KBPBESRZSA-N 1 1 369.473 1.932 50 0 FDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034799549 519597761 /nfs/dbraw/zinc/59/77/61/519597761.db2.gz KPQHXGMMDMSOKR-KBPBESRZSA-N 1 1 369.473 1.932 50 0 FDAAMO COc1ccccc1CNC(=O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485440 519607985 /nfs/dbraw/zinc/60/79/85/519607985.db2.gz SUPPQMCVIBMPTE-KRWDZBQOSA-N 1 1 353.422 1.142 50 0 FDAAMO COc1ccc(Nc2cc(C)[nH+]c(NCCNS(C)(=O)=O)n2)cc1 ZINC000042380935 519689902 /nfs/dbraw/zinc/68/99/02/519689902.db2.gz KWOGAVNUZHIQKF-UHFFFAOYSA-N 1 1 351.432 1.498 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)c3ccc(OC)nc3OC)cc2C1 ZINC000082134743 519855518 /nfs/dbraw/zinc/85/55/18/519855518.db2.gz AXGRCNGJHZVFQM-UHFFFAOYSA-N 1 1 373.457 1.841 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COC[C@@H](C)c2ccccc2)CC1 ZINC000020512888 520952314 /nfs/dbraw/zinc/95/23/14/520952314.db2.gz MDUPUTCXHHCVHO-SJLPKXTDSA-N 1 1 350.459 1.942 50 0 FDAAMO CCOCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082115254 521674022 /nfs/dbraw/zinc/67/40/22/521674022.db2.gz ZNMUHXPPYMQESM-KRWDZBQOSA-N 1 1 365.518 1.738 50 0 FDAAMO COc1c(F)cc(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1Cl ZINC000091381273 521850921 /nfs/dbraw/zinc/85/09/21/521850921.db2.gz PUDWGCUHCHOYOU-HUUCEWRRSA-N 1 1 372.868 1.860 50 0 FDAAMO COc1c(F)cc(CN2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000091381273 521850926 /nfs/dbraw/zinc/85/09/26/521850926.db2.gz PUDWGCUHCHOYOU-HUUCEWRRSA-N 1 1 372.868 1.860 50 0 FDAAMO Cn1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071416256 522115173 /nfs/dbraw/zinc/11/51/73/522115173.db2.gz YZJUTUBYRBBGEK-AWEZNQCLSA-N 1 1 359.474 1.015 50 0 FDAAMO CN(Cc1ccon1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071662923 522117408 /nfs/dbraw/zinc/11/74/08/522117408.db2.gz MFEPVEOSZYHMKI-MRXNPFEDSA-N 1 1 374.485 1.746 50 0 FDAAMO O=C(Cn1cccn1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071746116 522121567 /nfs/dbraw/zinc/12/15/67/522121567.db2.gz DSYUKDDOAOFASF-KRWDZBQOSA-N 1 1 373.501 1.209 50 0 FDAAMO COCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750101 522124878 /nfs/dbraw/zinc/12/48/78/522124878.db2.gz SYSOEANLECORPA-LJQANCHMSA-N 1 1 374.529 1.863 50 0 FDAAMO Cn1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071754419 522126055 /nfs/dbraw/zinc/12/60/55/522126055.db2.gz OZSFUFWLEHYMQC-AWEZNQCLSA-N 1 1 359.474 1.015 50 0 FDAAMO O=C([O-])CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071764172 522130376 /nfs/dbraw/zinc/13/03/76/522130376.db2.gz GZBYKUZFCUOXQH-INIZCTEOSA-N 1 1 374.485 1.349 50 0 FDAAMO O=C([O-])CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071764172 522130387 /nfs/dbraw/zinc/13/03/87/522130387.db2.gz GZBYKUZFCUOXQH-INIZCTEOSA-N 1 1 374.485 1.349 50 0 FDAAMO O=C([O-])CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071764171 522131065 /nfs/dbraw/zinc/13/10/65/522131065.db2.gz GZBYKUZFCUOXQH-MRXNPFEDSA-N 1 1 374.485 1.349 50 0 FDAAMO O=C([O-])CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071764171 522131074 /nfs/dbraw/zinc/13/10/74/522131074.db2.gz GZBYKUZFCUOXQH-MRXNPFEDSA-N 1 1 374.485 1.349 50 0 FDAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2c[nH]c(=O)cc2O)C1 ZINC000072121004 522153108 /nfs/dbraw/zinc/15/31/08/522153108.db2.gz ZZOHGCIOMIQEGF-INIZCTEOSA-N 1 1 355.438 1.860 50 0 FDAAMO CCNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 ZINC000072133197 522162084 /nfs/dbraw/zinc/16/20/84/522162084.db2.gz MPSTZWOTIRJFEF-CQSZACIVSA-N 1 1 358.398 1.481 50 0 FDAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 ZINC000072133197 522162089 /nfs/dbraw/zinc/16/20/89/522162089.db2.gz MPSTZWOTIRJFEF-CQSZACIVSA-N 1 1 358.398 1.481 50 0 FDAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C(=O)Cc2ccccc2)C1 ZINC000072151504 522177745 /nfs/dbraw/zinc/17/77/45/522177745.db2.gz AIDCGFQFPDNYQV-KRWDZBQOSA-N 1 1 352.500 1.792 50 0 FDAAMO COc1cc(Cl)cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCCC2)c1 ZINC000072150946 522178560 /nfs/dbraw/zinc/17/85/60/522178560.db2.gz DOOQAJYKTDMASP-OAHLLOKOSA-N 1 1 351.834 1.385 50 0 FDAAMO CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072152779 522180389 /nfs/dbraw/zinc/18/03/89/522180389.db2.gz CUPWVTVBBDVLBJ-IBGZPJMESA-N 1 1 351.450 1.755 50 0 FDAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NC(CO)CO)Cc2ccccc2C1 ZINC000072157491 522185735 /nfs/dbraw/zinc/18/57/35/522185735.db2.gz VCVXGRHTMJDLEF-UHFFFAOYSA-N 1 1 368.477 1.168 50 0 FDAAMO CC(C)Cc1noc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(C)C)n1 ZINC000072166163 522192180 /nfs/dbraw/zinc/19/21/80/522192180.db2.gz IDDHUUHWEMQAJH-AWEZNQCLSA-N 1 1 365.478 1.073 50 0 FDAAMO CC(C)Cc1noc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)C)n1 ZINC000072166163 522192188 /nfs/dbraw/zinc/19/21/88/522192188.db2.gz IDDHUUHWEMQAJH-AWEZNQCLSA-N 1 1 365.478 1.073 50 0 FDAAMO Cc1ncc(CC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072174190 522202385 /nfs/dbraw/zinc/20/23/85/522202385.db2.gz JJBXFWSENVTXJI-LJQANCHMSA-N 1 1 368.481 1.786 50 0 FDAAMO CCc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n2nc(C)c(C)c2n1 ZINC000072412059 522246341 /nfs/dbraw/zinc/24/63/41/522246341.db2.gz REWSNYQXGKUGQZ-HNNXBMFYSA-N 1 1 358.490 1.908 50 0 FDAAMO COc1cc(F)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1OC ZINC000091350788 522566055 /nfs/dbraw/zinc/56/60/55/522566055.db2.gz DYTGVBYUSSJGII-HZPDHXFCSA-N 1 1 368.449 1.215 50 0 FDAAMO COc1cc(F)c(CN2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000091350788 522566067 /nfs/dbraw/zinc/56/60/67/522566067.db2.gz DYTGVBYUSSJGII-HZPDHXFCSA-N 1 1 368.449 1.215 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000065267329 522798185 /nfs/dbraw/zinc/79/81/85/522798185.db2.gz KNSLYVQOXIGAEZ-OAHLLOKOSA-N 1 1 355.394 1.823 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000065267329 522798193 /nfs/dbraw/zinc/79/81/93/522798193.db2.gz KNSLYVQOXIGAEZ-OAHLLOKOSA-N 1 1 355.394 1.823 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)cn1 ZINC000065267325 522798655 /nfs/dbraw/zinc/79/86/55/522798655.db2.gz GQBYKULXQGKRCP-MRXNPFEDSA-N 1 1 359.401 1.999 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)COc3ccc(F)cc3)C2)cn1 ZINC000065267325 522798665 /nfs/dbraw/zinc/79/86/65/522798665.db2.gz GQBYKULXQGKRCP-MRXNPFEDSA-N 1 1 359.401 1.999 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000065267327 522798997 /nfs/dbraw/zinc/79/89/97/522798997.db2.gz KNSLYVQOXIGAEZ-HNNXBMFYSA-N 1 1 355.394 1.823 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc4c(c3)OCO4)C2)cn1 ZINC000065267327 522799009 /nfs/dbraw/zinc/79/90/09/522799009.db2.gz KNSLYVQOXIGAEZ-HNNXBMFYSA-N 1 1 355.394 1.823 50 0 FDAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000078599496 523018449 /nfs/dbraw/zinc/01/84/49/523018449.db2.gz NJYVGLNAJUFLPB-CYBMUJFWSA-N 1 1 374.407 1.777 50 0 FDAAMO CCOc1cc2c(cc1CN1CC[NH+](CCn3cncn3)CC1)CCC2 ZINC000077357769 523308136 /nfs/dbraw/zinc/30/81/36/523308136.db2.gz UZWVCOQGGMFHCM-UHFFFAOYSA-N 1 1 355.486 1.983 50 0 FDAAMO COC(=O)CCn1cc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000077357809 523309001 /nfs/dbraw/zinc/30/90/01/523309001.db2.gz QYCZSQXNGDYFJG-IYBDPMFKSA-N 1 1 364.490 1.520 50 0 FDAAMO CCN1CC2(CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)CC2)OC1=O ZINC000077408347 523330188 /nfs/dbraw/zinc/33/01/88/523330188.db2.gz HUFYITFXGDVHHB-UHFFFAOYSA-N 1 1 357.454 1.878 50 0 FDAAMO CCN1CC2(CCN(C(=O)C[N@H+]3CCc4ccccc4C3)CC2)OC1=O ZINC000077408347 523330195 /nfs/dbraw/zinc/33/01/95/523330195.db2.gz HUFYITFXGDVHHB-UHFFFAOYSA-N 1 1 357.454 1.878 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077485839 523357524 /nfs/dbraw/zinc/35/75/24/523357524.db2.gz CEJPURNLYJMKFO-UHFFFAOYSA-N 1 1 354.389 1.612 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077485839 523357530 /nfs/dbraw/zinc/35/75/30/523357530.db2.gz CEJPURNLYJMKFO-UHFFFAOYSA-N 1 1 354.389 1.612 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(F)cc2C)C1 ZINC000091624636 523621177 /nfs/dbraw/zinc/62/11/77/523621177.db2.gz AIVVITRTGRCUNM-HZPDHXFCSA-N 1 1 352.450 1.783 50 0 FDAAMO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000242302196 523643555 /nfs/dbraw/zinc/64/35/55/523643555.db2.gz YQJGNUYSKGSMSN-RKEPPDDRSA-N 1 1 371.547 1.430 50 0 FDAAMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC(=O)N(c2ccccn2)C1 ZINC000079097219 523703020 /nfs/dbraw/zinc/70/30/20/523703020.db2.gz JOTNENZJJGYLEA-IRXDYDNUSA-N 1 1 356.470 1.815 50 0 FDAAMO CCn1ncnc1NC(=O)c1cccc(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000244899468 523761249 /nfs/dbraw/zinc/76/12/49/523761249.db2.gz ZKKQGLKYHNTDFY-KRWDZBQOSA-N 1 1 354.458 1.830 50 0 FDAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1nccs1 ZINC000080338519 523870120 /nfs/dbraw/zinc/87/01/20/523870120.db2.gz OHJDFRVZYCCWSG-CQSZACIVSA-N 1 1 373.482 1.998 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 ZINC000080303568 523896480 /nfs/dbraw/zinc/89/64/80/523896480.db2.gz CVLPXGVYEISZHM-HNNXBMFYSA-N 1 1 364.515 1.106 50 0 FDAAMO COc1ccc(CCN2C[C@H](C(=O)N3CC[NH+](C)CC3)CCC2=O)cc1 ZINC000091452567 523952615 /nfs/dbraw/zinc/95/26/15/523952615.db2.gz IOZKZEZYJJUQSQ-QGZVFWFLSA-N 1 1 359.470 1.250 50 0 FDAAMO [NH3+][C@H]1CCCCN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)C1 ZINC000082109499 524211452 /nfs/dbraw/zinc/21/14/52/524211452.db2.gz LBBHMGWGIIGXLN-HNNXBMFYSA-N 1 1 361.471 1.591 50 0 FDAAMO CC(=O)c1cc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)[nH]n1 ZINC000082114549 524211587 /nfs/dbraw/zinc/21/15/87/524211587.db2.gz IEHFHXPEXDTYJS-UHFFFAOYSA-N 1 1 370.457 1.887 50 0 FDAAMO CN(C)S(=O)(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082157794 524216439 /nfs/dbraw/zinc/21/64/39/524216439.db2.gz JZEHRZKPCYKHIL-UHFFFAOYSA-N 1 1 355.508 1.318 50 0 FDAAMO Cc1nc2sccn2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091435297 524705416 /nfs/dbraw/zinc/70/54/16/524705416.db2.gz GWWSXOHHHJVZMW-HUUCEWRRSA-N 1 1 350.488 1.077 50 0 FDAAMO Cc1nc2sccn2c1CN1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091435297 524705427 /nfs/dbraw/zinc/70/54/27/524705427.db2.gz GWWSXOHHHJVZMW-HUUCEWRRSA-N 1 1 350.488 1.077 50 0 FDAAMO Cc1ccc2[nH]c(C[N@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)nc2c1C ZINC000091435064 524705843 /nfs/dbraw/zinc/70/58/43/524705843.db2.gz XFLMIWYOXZOTPF-HXUWFJFHSA-N 1 1 356.470 1.987 50 0 FDAAMO Cc1ccc2nc(C[N@@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)[nH]c2c1C ZINC000091435064 524705855 /nfs/dbraw/zinc/70/58/55/524705855.db2.gz XFLMIWYOXZOTPF-HXUWFJFHSA-N 1 1 356.470 1.987 50 0 FDAAMO Cc1ccc2nc(C[N@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)[nH]c2c1C ZINC000091435064 524705862 /nfs/dbraw/zinc/70/58/62/524705862.db2.gz XFLMIWYOXZOTPF-HXUWFJFHSA-N 1 1 356.470 1.987 50 0 FDAAMO Cc1ccc2[nH]c(C[N@H+]3CC[C@]4(C3)CCCN(CCO)C4=O)nc2c1C ZINC000091435066 524705908 /nfs/dbraw/zinc/70/59/08/524705908.db2.gz XFLMIWYOXZOTPF-FQEVSTJZSA-N 1 1 356.470 1.987 50 0 FDAAMO Cc1ccc2nc(C[N@@H+]3CC[C@]4(C3)CCCN(CCO)C4=O)[nH]c2c1C ZINC000091435066 524705920 /nfs/dbraw/zinc/70/59/20/524705920.db2.gz XFLMIWYOXZOTPF-FQEVSTJZSA-N 1 1 356.470 1.987 50 0 FDAAMO Cc1ccc2nc(C[N@H+]3CC[C@]4(C3)CCCN(CCO)C4=O)[nH]c2c1C ZINC000091435066 524705929 /nfs/dbraw/zinc/70/59/29/524705929.db2.gz XFLMIWYOXZOTPF-FQEVSTJZSA-N 1 1 356.470 1.987 50 0 FDAAMO CC(C)NC(=O)CCc1cc2n(n1)CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000091494191 524717268 /nfs/dbraw/zinc/71/72/68/524717268.db2.gz WACITBWOEPRGNV-OAHLLOKOSA-N 1 1 361.490 1.024 50 0 FDAAMO CS(=O)(=O)CC[N@@H+]1C[C@H](NC(=O)Cc2ccccc2)[C@@H](C2CC2)C1 ZINC000091587165 524734353 /nfs/dbraw/zinc/73/43/53/524734353.db2.gz MALZKFXDNVIVCW-SJORKVTESA-N 1 1 350.484 1.100 50 0 FDAAMO CS(=O)(=O)CC[N@H+]1C[C@H](NC(=O)Cc2ccccc2)[C@@H](C2CC2)C1 ZINC000091587165 524734361 /nfs/dbraw/zinc/73/43/61/524734361.db2.gz MALZKFXDNVIVCW-SJORKVTESA-N 1 1 350.484 1.100 50 0 FDAAMO COc1ccnc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c1OC ZINC000091621170 524742954 /nfs/dbraw/zinc/74/29/54/524742954.db2.gz LKYVZJUZMSWMSD-HUUCEWRRSA-N 1 1 355.442 1.990 50 0 FDAAMO COc1ccnc(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c1OC ZINC000091621170 524742965 /nfs/dbraw/zinc/74/29/65/524742965.db2.gz LKYVZJUZMSWMSD-HUUCEWRRSA-N 1 1 355.442 1.990 50 0 FDAAMO O=C(Nc1ccccc1)C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091665243 524757423 /nfs/dbraw/zinc/75/74/23/524757423.db2.gz SXRCWDMWMNJDRI-MAUKXSAKSA-N 1 1 357.454 1.727 50 0 FDAAMO CN(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cc1 ZINC000091713546 524767164 /nfs/dbraw/zinc/76/71/64/524767164.db2.gz BDZDGPJWTJBQGM-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CN(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1 ZINC000091713546 524767172 /nfs/dbraw/zinc/76/71/72/524767172.db2.gz BDZDGPJWTJBQGM-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CN(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1 ZINC000091713546 524767184 /nfs/dbraw/zinc/76/71/84/524767184.db2.gz BDZDGPJWTJBQGM-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO Cc1cccc([C@@H](C(=O)NCc2nc(-c3ncccn3)no2)[NH+](C)C)c1 ZINC000091820276 524790391 /nfs/dbraw/zinc/79/03/91/524790391.db2.gz KGHBOYCHDWZSLD-HNNXBMFYSA-N 1 1 352.398 1.754 50 0 FDAAMO Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cc(=O)c2c1 ZINC000091847729 524798546 /nfs/dbraw/zinc/79/85/46/524798546.db2.gz GYVUITKCZDMWIZ-INIZCTEOSA-N 1 1 369.465 1.907 50 0 FDAAMO COCC[N@H+]1C[C@H](NS(=O)(=O)N2CCCC2)[C@@H](c2ccccc2)C1 ZINC000091943121 524815770 /nfs/dbraw/zinc/81/57/70/524815770.db2.gz JRYKMLVLPOUZTP-SJORKVTESA-N 1 1 353.488 1.031 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091973813 524823191 /nfs/dbraw/zinc/82/31/91/524823191.db2.gz JOWXMIDEAGKTEF-HXUWFJFHSA-N 1 1 365.518 1.738 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091973813 524823197 /nfs/dbraw/zinc/82/31/97/524823197.db2.gz JOWXMIDEAGKTEF-HXUWFJFHSA-N 1 1 365.518 1.738 50 0 FDAAMO CNC(=O)c1ccc(C[N@@H+]2C[C@H](NC(=O)CSC)[C@@H](C(C)C)C2)o1 ZINC000092002415 524829576 /nfs/dbraw/zinc/82/95/76/524829576.db2.gz LCWRQPWZVPRRQI-KGLIPLIRSA-N 1 1 353.488 1.575 50 0 FDAAMO CNC(=O)c1ccc(C[N@H+]2C[C@H](NC(=O)CSC)[C@@H](C(C)C)C2)o1 ZINC000092002415 524829586 /nfs/dbraw/zinc/82/95/86/524829586.db2.gz LCWRQPWZVPRRQI-KGLIPLIRSA-N 1 1 353.488 1.575 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CO ZINC000092022704 524831788 /nfs/dbraw/zinc/83/17/88/524831788.db2.gz FJBHGFKANJNUIG-HUUCEWRRSA-N 1 1 374.403 1.964 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cncn1)C2 ZINC000095355678 525028531 /nfs/dbraw/zinc/02/85/31/525028531.db2.gz HIEMXFNIJNXRHE-DLBZAZTESA-N 1 1 372.473 1.786 50 0 FDAAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](C3CCN(C(C)=O)CC3)C[C@H]21 ZINC000095362861 525036681 /nfs/dbraw/zinc/03/66/81/525036681.db2.gz QWGSXLHOOSPRLN-UYAOXDASSA-N 1 1 360.454 1.476 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)c1cccc(F)c1 ZINC000095362193 525037947 /nfs/dbraw/zinc/03/79/47/525037947.db2.gz XPHAELHJOINZKY-KRWDZBQOSA-N 1 1 361.417 1.474 50 0 FDAAMO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@]12CCNC(=O)CC2 ZINC000095365785 525038748 /nfs/dbraw/zinc/03/87/48/525038748.db2.gz DZCLTMXTWKWRQJ-INIZCTEOSA-N 1 1 371.890 1.315 50 0 FDAAMO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@]12CCNC(=O)CC2 ZINC000095365785 525038760 /nfs/dbraw/zinc/03/87/60/525038760.db2.gz DZCLTMXTWKWRQJ-INIZCTEOSA-N 1 1 371.890 1.315 50 0 FDAAMO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)n1 ZINC000095363858 525040361 /nfs/dbraw/zinc/04/03/61/525040361.db2.gz VDSGPJSFJSFEOE-DLBZAZTESA-N 1 1 354.458 1.292 50 0 FDAAMO CC(C)([NH3+])C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095385063 525059896 /nfs/dbraw/zinc/05/98/96/525059896.db2.gz DPPBDEPMXHLELQ-BMGDILEWSA-N 1 1 357.454 1.541 50 0 FDAAMO O=C(NCc1nnnn1-c1ccccc1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095392311 525065777 /nfs/dbraw/zinc/06/57/77/525065777.db2.gz FJJIZQJJKHNFPD-HNNXBMFYSA-N 1 1 370.457 1.170 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000095496524 525080415 /nfs/dbraw/zinc/08/04/15/525080415.db2.gz PKILICGCZPTZTA-IBGZPJMESA-N 1 1 372.513 1.308 50 0 FDAAMO COc1cccc(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)c1 ZINC000095499340 525083017 /nfs/dbraw/zinc/08/30/17/525083017.db2.gz QKMSDKQXMYOOIY-IBGZPJMESA-N 1 1 354.450 1.943 50 0 FDAAMO NC(=O)CN1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095502364 525087032 /nfs/dbraw/zinc/08/70/32/525087032.db2.gz HBXDHMXEACBJSE-IBGZPJMESA-N 1 1 372.513 1.355 50 0 FDAAMO NC(=O)CN1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095502364 525087041 /nfs/dbraw/zinc/08/70/41/525087041.db2.gz HBXDHMXEACBJSE-IBGZPJMESA-N 1 1 372.513 1.355 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000095507016 525091738 /nfs/dbraw/zinc/09/17/38/525091738.db2.gz RWEOILPOZCUMBX-AWEZNQCLSA-N 1 1 352.504 1.716 50 0 FDAAMO Nc1nc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)cs1 ZINC000095519850 525097949 /nfs/dbraw/zinc/09/79/49/525097949.db2.gz SBXVLVTVRVVJFY-INIZCTEOSA-N 1 1 360.483 1.363 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095520412 525099254 /nfs/dbraw/zinc/09/92/54/525099254.db2.gz PQMONGPTDOMNIZ-QGZVFWFLSA-N 1 1 369.469 1.170 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095520412 525099258 /nfs/dbraw/zinc/09/92/58/525099258.db2.gz PQMONGPTDOMNIZ-QGZVFWFLSA-N 1 1 369.469 1.170 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)cc2)C[N@@H+]1C ZINC000095530853 525107512 /nfs/dbraw/zinc/10/75/12/525107512.db2.gz ZZCYKKWTTREFKO-MJGOQNOKSA-N 1 1 372.513 1.958 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(N3CCCC3)cc2)C[N@H+]1C ZINC000095530853 525107517 /nfs/dbraw/zinc/10/75/17/525107517.db2.gz ZZCYKKWTTREFKO-MJGOQNOKSA-N 1 1 372.513 1.958 50 0 FDAAMO CCSc1ccccc1N1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000096027637 525122912 /nfs/dbraw/zinc/12/29/12/525122912.db2.gz LFCSIANIXIZYOC-UHFFFAOYSA-N 1 1 362.499 1.863 50 0 FDAAMO Cc1ccc(-c2cn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)o2)cc1 ZINC000096124835 525137014 /nfs/dbraw/zinc/13/70/14/525137014.db2.gz JIFPBSHHTFCKEL-UHFFFAOYSA-N 1 1 359.426 1.255 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2)C[N@H+]1C1CCOCC1 ZINC000096139605 525138764 /nfs/dbraw/zinc/13/87/64/525138764.db2.gz OVAJLPOKEFARDO-ZERCDLRSSA-N 1 1 371.481 1.574 50 0 FDAAMO Cc1cccc2c(C[N@H+]3C[C@H]4C[NH+](CCO)C[C@@]4(C(=O)[O-])C3)cccc12 ZINC000096142173 525139531 /nfs/dbraw/zinc/13/95/31/525139531.db2.gz YHCLQSQONUCGGW-DYESRHJHSA-N 1 1 354.450 1.959 50 0 FDAAMO Cc1cccc2c(C[NH+]3C[C@H]4C[N@H+](CCO)C[C@@]4(C(=O)[O-])C3)cccc12 ZINC000096142173 525139538 /nfs/dbraw/zinc/13/95/38/525139538.db2.gz YHCLQSQONUCGGW-DYESRHJHSA-N 1 1 354.450 1.959 50 0 FDAAMO Cc1cccc2c(C[NH+]3C[C@H]4C[N@@H+](CCO)C[C@@]4(C(=O)[O-])C3)cccc12 ZINC000096142173 525139550 /nfs/dbraw/zinc/13/95/50/525139550.db2.gz YHCLQSQONUCGGW-DYESRHJHSA-N 1 1 354.450 1.959 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)Cn2ccc3ccccc32)C[N@@H+]1C ZINC000096142109 525140131 /nfs/dbraw/zinc/14/01/31/525140131.db2.gz VTGJXFGWKCDDIY-WMZOPIPTSA-N 1 1 356.470 1.699 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)Cn2ccc3ccccc32)C[N@H+]1C ZINC000096142109 525140139 /nfs/dbraw/zinc/14/01/39/525140139.db2.gz VTGJXFGWKCDDIY-WMZOPIPTSA-N 1 1 356.470 1.699 50 0 FDAAMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000096150147 525142359 /nfs/dbraw/zinc/14/23/59/525142359.db2.gz REIDAJYGPWUUJZ-UHFFFAOYSA-N 1 1 364.446 1.840 50 0 FDAAMO Cc1ccc(NC(=O)NC[C@H]2COCCO2)cc1NC(=O)C[NH+](C)C ZINC000096164031 525144267 /nfs/dbraw/zinc/14/42/67/525144267.db2.gz QURDDXCACCEHGP-AWEZNQCLSA-N 1 1 350.419 1.032 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)C(=O)c2ccccc2)C[N@@H+]1C1CCCCC1 ZINC000096159656 525144694 /nfs/dbraw/zinc/14/46/94/525144694.db2.gz JBBZGBNAQIPMSX-WMZOPIPTSA-N 1 1 371.481 1.897 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)C(=O)c2ccccc2)C[N@H+]1C1CCCCC1 ZINC000096159656 525144699 /nfs/dbraw/zinc/14/46/99/525144699.db2.gz JBBZGBNAQIPMSX-WMZOPIPTSA-N 1 1 371.481 1.897 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097553333 525186777 /nfs/dbraw/zinc/18/67/77/525186777.db2.gz DFYDJTFCPMEKRF-OALUTQOASA-N 1 1 360.433 1.279 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097553333 525186782 /nfs/dbraw/zinc/18/67/82/525186782.db2.gz DFYDJTFCPMEKRF-OALUTQOASA-N 1 1 360.433 1.279 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097553333 525186789 /nfs/dbraw/zinc/18/67/89/525186789.db2.gz DFYDJTFCPMEKRF-OALUTQOASA-N 1 1 360.433 1.279 50 0 FDAAMO COc1cccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000100552031 525214936 /nfs/dbraw/zinc/21/49/36/525214936.db2.gz OQPONCSSSJHFGI-HNNXBMFYSA-N 1 1 354.362 1.846 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 ZINC000082099720 525534461 /nfs/dbraw/zinc/53/44/61/525534461.db2.gz FGCVUOHGUUOXAI-UHFFFAOYSA-N 1 1 363.425 1.387 50 0 FDAAMO c1c[nH]c([C@@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2ccncc2)n1 ZINC000170608462 525641766 /nfs/dbraw/zinc/64/17/66/525641766.db2.gz CNMWHPMCXGOJRR-SQNIBIBYSA-N 1 1 357.458 1.221 50 0 FDAAMO C[C@H](CC(=O)NC1CCN(c2[nH+]ccn2C)CC1)NC(=O)C1CCCC1 ZINC000170614467 525644149 /nfs/dbraw/zinc/64/41/49/525644149.db2.gz OYNOWYPTLSFMMP-CQSZACIVSA-N 1 1 361.490 1.590 50 0 FDAAMO C[C@@]1(CNS(=O)(=O)C[C@@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000119694642 525830691 /nfs/dbraw/zinc/83/06/91/525830691.db2.gz CYAHESIQTKTAFX-MSOLQXFVSA-N 1 1 352.500 1.997 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1cnc(-c2cccs2)[nH]c1=O ZINC000091655882 526310243 /nfs/dbraw/zinc/31/02/43/526310243.db2.gz RWUBFEXIRRZRJX-GFCCVEGCSA-N 1 1 362.455 1.487 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H](O)c2cccs2)CC1)NC1CCCCC1 ZINC000085436938 526773029 /nfs/dbraw/zinc/77/30/29/526773029.db2.gz JAXZNIXMUJVTFB-INIZCTEOSA-N 1 1 351.516 1.848 50 0 FDAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1ccncc1 ZINC000079494657 526837270 /nfs/dbraw/zinc/83/72/70/526837270.db2.gz KWTUUFIVHQVUPN-UHFFFAOYSA-N 1 1 353.426 1.548 50 0 FDAAMO O[C@@H](COc1ccccc1)C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020294121 527662042 /nfs/dbraw/zinc/66/20/42/527662042.db2.gz BTQZPJLSSCNZMZ-GOSISDBHSA-N 1 1 370.449 1.973 50 0 FDAAMO CC(C)[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153715 535322170 /nfs/dbraw/zinc/32/21/70/535322170.db2.gz JVSIXBYAROMUFQ-BRWVUGGUSA-N 1 1 361.490 1.259 50 0 FDAAMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc2nccn2c1 ZINC000183392288 535972762 /nfs/dbraw/zinc/97/27/62/535972762.db2.gz UDZBNWUXWDCULD-GOSISDBHSA-N 1 1 350.422 1.831 50 0 FDAAMO C[NH+]1CCN(c2cc(N3CCC[C@@](CO)(CC4CC4)C3)nc(N)n2)CC1 ZINC000092038558 536420315 /nfs/dbraw/zinc/42/03/15/536420315.db2.gz IGBZLNSARJREOD-LJQANCHMSA-N 1 1 360.506 1.190 50 0 FDAAMO O=C(CCN1Cc2ccccc2C1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000220396222 537487602 /nfs/dbraw/zinc/48/76/02/537487602.db2.gz GARGWWJTHGRYEP-GOSISDBHSA-N 1 1 371.481 1.746 50 0 FDAAMO Cc1n[nH]c(C)c1CCNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000221188223 537495056 /nfs/dbraw/zinc/49/50/56/537495056.db2.gz DNKBWVUDTRBTMX-UHFFFAOYSA-N 1 1 355.486 1.746 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1cnc2cnccn12 ZINC000221167426 537495996 /nfs/dbraw/zinc/49/59/96/537495996.db2.gz MAZCJDTXSRHQKQ-SFHVURJKSA-N 1 1 365.437 1.637 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1cnc2cnccn12 ZINC000221167426 537496003 /nfs/dbraw/zinc/49/60/03/537496003.db2.gz MAZCJDTXSRHQKQ-SFHVURJKSA-N 1 1 365.437 1.637 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1cnc3ccccc3n1)CC2 ZINC000221365968 537500579 /nfs/dbraw/zinc/50/05/79/537500579.db2.gz JGRHDKNNVKPWIE-UHFFFAOYSA-N 1 1 353.426 1.056 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[NH+]2CCCCC2)CC3)cn1 ZINC000223497109 537527539 /nfs/dbraw/zinc/52/75/39/537527539.db2.gz FZBWIFFCDANRTA-UHFFFAOYSA-N 1 1 355.442 1.851 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000229704003 537574558 /nfs/dbraw/zinc/57/45/58/537574558.db2.gz RSAHQCVBANQQRC-ZIAGYGMSSA-N 1 1 352.479 1.382 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C(=O)OC)[C@@H](O)c2ccncc2)C1 ZINC000229773628 537575593 /nfs/dbraw/zinc/57/55/93/537575593.db2.gz LWELLZIVNOSXIC-OAGGEKHMSA-N 1 1 350.415 1.179 50 0 FDAAMO CN(C)CC[NH+]1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C)CC1 ZINC000240333470 537645777 /nfs/dbraw/zinc/64/57/77/537645777.db2.gz FDLHQKYTINHROU-UHFFFAOYSA-N 1 1 360.462 1.828 50 0 FDAAMO C[C@H](CNc1ncnn2c(Br)ccc12)[NH+]1CCN(C)CC1 ZINC000240407422 537646170 /nfs/dbraw/zinc/64/61/70/537646170.db2.gz FMCQERRHCNPGGO-LLVKDONJSA-N 1 1 353.268 1.540 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)CN3Cc4ccccc4C3)C2)[nH+]c(N)n1 ZINC000244758104 537652339 /nfs/dbraw/zinc/65/23/39/537652339.db2.gz OSLBQQQTKYQZJL-GASCZTMLSA-N 1 1 352.442 1.479 50 0 FDAAMO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000245225110 537655424 /nfs/dbraw/zinc/65/54/24/537655424.db2.gz MUWDINCANWTOCR-OAHLLOKOSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000245225110 537655427 /nfs/dbraw/zinc/65/54/27/537655427.db2.gz MUWDINCANWTOCR-OAHLLOKOSA-N 1 1 360.426 1.840 50 0 FDAAMO COc1cccc(N2CCN(c3cc([C@H]4CCOC4)[nH+]c(N)n3)CC2)c1 ZINC000426737355 538125789 /nfs/dbraw/zinc/12/57/89/538125789.db2.gz HCFYNPINKAYPQR-AWEZNQCLSA-N 1 1 355.442 1.898 50 0 FDAAMO CSCC[NH+]1CCN(C(=O)c2ccc(-c3nc(C)n(C)n3)cc2)CC1 ZINC000584885485 551564410 /nfs/dbraw/zinc/56/44/10/551564410.db2.gz PQKZJEJATRJBFY-UHFFFAOYSA-N 1 1 359.499 1.911 50 0 FDAAMO COC[C@@H](c1ccccn1)N(C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000584887929 551564993 /nfs/dbraw/zinc/56/49/93/551564993.db2.gz YLFDUXAHYYIUDS-KRWDZBQOSA-N 1 1 363.506 1.437 50 0 FDAAMO C[N@H+](CC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O)Cc1ccccc1 ZINC000584897509 551566406 /nfs/dbraw/zinc/56/64/06/551566406.db2.gz LAORFYFITIJDAH-KRWDZBQOSA-N 1 1 367.515 1.439 50 0 FDAAMO C[N@@H+](CC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O)Cc1ccccc1 ZINC000584897509 551566410 /nfs/dbraw/zinc/56/64/10/551566410.db2.gz LAORFYFITIJDAH-KRWDZBQOSA-N 1 1 367.515 1.439 50 0 FDAAMO Cc1cc(CN2CC[N@@H+](Cc3ccnc(C)c3)C[C@H]2C(=O)N(C)C)ccn1 ZINC000621268408 556055818 /nfs/dbraw/zinc/05/58/18/556055818.db2.gz IUTHDPKQGWTCOU-FQEVSTJZSA-N 1 1 367.497 1.868 50 0 FDAAMO Cc1cc(CN2CC[N@H+](Cc3ccnc(C)c3)C[C@H]2C(=O)N(C)C)ccn1 ZINC000621268408 556055820 /nfs/dbraw/zinc/05/58/20/556055820.db2.gz IUTHDPKQGWTCOU-FQEVSTJZSA-N 1 1 367.497 1.868 50 0 FDAAMO O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000628205787 557606768 /nfs/dbraw/zinc/60/67/68/557606768.db2.gz DWHJTUASAUVKCU-BPQIPLTHSA-N 1 1 356.426 1.257 50 0 FDAAMO O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000628205787 557606771 /nfs/dbraw/zinc/60/67/71/557606771.db2.gz DWHJTUASAUVKCU-BPQIPLTHSA-N 1 1 356.426 1.257 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000426435460 570605859 /nfs/dbraw/zinc/60/58/59/570605859.db2.gz WLMOFYIHYKHLPA-GOSISDBHSA-N 1 1 366.469 1.365 50 0 FDAAMO CN1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1=O ZINC000252527702 570622964 /nfs/dbraw/zinc/62/29/64/570622964.db2.gz DEGOHVIEVXMCLF-GOSISDBHSA-N 1 1 358.486 1.915 50 0 FDAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(=O)[nH]n2)C[C@@H](C)O1 ZINC000048324470 570945725 /nfs/dbraw/zinc/94/57/25/570945725.db2.gz ZTNFQLAVPGEXSZ-ZIAGYGMSSA-N 1 1 356.426 1.721 50 0 FDAAMO Cn1nccc1[C@@H]1COCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685942998 571103632 /nfs/dbraw/zinc/10/36/32/571103632.db2.gz ZNRSHPPVYQIGIJ-INIZCTEOSA-N 1 1 358.446 1.166 50 0 FDAAMO CCN(Cc1ccccc1F)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426618115 571131626 /nfs/dbraw/zinc/13/16/26/571131626.db2.gz KIVORICXCKRFNU-HNNXBMFYSA-N 1 1 360.433 2.550 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 ZINC000252536027 571134147 /nfs/dbraw/zinc/13/41/47/571134147.db2.gz HMDOOEHTKNOJRB-LVCYWYKZSA-N 1 1 373.497 1.187 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)c1cccc(-c2cc(OC)nc(N)n2)c1 ZINC000426496936 571136798 /nfs/dbraw/zinc/13/67/98/571136798.db2.gz MZZXIPABCKVCDN-UHFFFAOYSA-N 1 1 366.425 1.923 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCN1CCCOC1=O ZINC000299759660 571193145 /nfs/dbraw/zinc/19/31/45/571193145.db2.gz NXDILNKMIVOPGC-KRWDZBQOSA-N 1 1 361.442 1.236 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCN1CCCOC1=O ZINC000299759660 571193146 /nfs/dbraw/zinc/19/31/46/571193146.db2.gz NXDILNKMIVOPGC-KRWDZBQOSA-N 1 1 361.442 1.236 50 0 FDAAMO C[N@H+](CC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1)Cc1ccc(F)cc1 ZINC000299778093 571197088 /nfs/dbraw/zinc/19/70/88/571197088.db2.gz LTOTWRGGDYUNAL-IRXDYDNUSA-N 1 1 359.405 1.221 50 0 FDAAMO C[N@@H+](CC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1)Cc1ccc(F)cc1 ZINC000299778093 571197089 /nfs/dbraw/zinc/19/70/89/571197089.db2.gz LTOTWRGGDYUNAL-IRXDYDNUSA-N 1 1 359.405 1.221 50 0 FDAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)o1 ZINC000299786027 571199507 /nfs/dbraw/zinc/19/95/07/571199507.db2.gz QUPQUFHYZYZTQF-KBPBESRZSA-N 1 1 373.442 1.497 50 0 FDAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)o1 ZINC000299786027 571199510 /nfs/dbraw/zinc/19/95/10/571199510.db2.gz QUPQUFHYZYZTQF-KBPBESRZSA-N 1 1 373.442 1.497 50 0 FDAAMO CC(=O)Nc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)ccc1F ZINC000299786471 571199562 /nfs/dbraw/zinc/19/95/62/571199562.db2.gz KRZVQTZNVBRZBP-CQSZACIVSA-N 1 1 352.410 1.752 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H](O)C1 ZINC000299788299 571200163 /nfs/dbraw/zinc/20/01/63/571200163.db2.gz YEBUZVPJMUXMSL-RHSMWYFYSA-N 1 1 359.430 1.257 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H](O)C1 ZINC000299788299 571200166 /nfs/dbraw/zinc/20/01/66/571200166.db2.gz YEBUZVPJMUXMSL-RHSMWYFYSA-N 1 1 359.430 1.257 50 0 FDAAMO CC(C)(CN1CCn2nc(CNc3ncccn3)cc2C1)[NH+]1CCOCC1 ZINC000299792725 571201302 /nfs/dbraw/zinc/20/13/02/571201302.db2.gz GCLHBJMZELJTCF-UHFFFAOYSA-N 1 1 371.489 1.212 50 0 FDAAMO CC(C)(CN1CCn2nc(CNc3cnccn3)cc2C1)[NH+]1CCOCC1 ZINC000299793161 571201390 /nfs/dbraw/zinc/20/13/90/571201390.db2.gz GOFYPOWZUSAUER-UHFFFAOYSA-N 1 1 371.489 1.212 50 0 FDAAMO O=C(NCCCc1ccccn1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299795887 571202088 /nfs/dbraw/zinc/20/20/88/571202088.db2.gz MAKGVDFSVOJBLG-KRWDZBQOSA-N 1 1 365.499 1.030 50 0 FDAAMO O=C(CN1CCCCCC1=O)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299801682 571203202 /nfs/dbraw/zinc/20/32/02/571203202.db2.gz ZXLNBEBPTYCTKQ-KRWDZBQOSA-N 1 1 359.470 1.875 50 0 FDAAMO Cc1c(NC(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)cccc1C(N)=O ZINC000426370845 571216316 /nfs/dbraw/zinc/21/63/16/571216316.db2.gz VAPQGCFLZUFQFC-OAHLLOKOSA-N 1 1 362.474 1.650 50 0 FDAAMO Cc1nc2cc(CC(=O)N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)ccc2[nH]1 ZINC000426401727 571220234 /nfs/dbraw/zinc/22/02/34/571220234.db2.gz KYUPUMLETYQAFE-UHFFFAOYSA-N 1 1 369.469 1.227 50 0 FDAAMO Cc1nc2ccc(CC(=O)N3CCC4(CC3)C(=O)NCCC[N@H+]4C)cc2[nH]1 ZINC000426401727 571220237 /nfs/dbraw/zinc/22/02/37/571220237.db2.gz KYUPUMLETYQAFE-UHFFFAOYSA-N 1 1 369.469 1.227 50 0 FDAAMO Cc1nc2ccc(CC(=O)N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)cc2[nH]1 ZINC000426401727 571220238 /nfs/dbraw/zinc/22/02/38/571220238.db2.gz KYUPUMLETYQAFE-UHFFFAOYSA-N 1 1 369.469 1.227 50 0 FDAAMO Cc1nnnn1CCC[N@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000426414919 571222393 /nfs/dbraw/zinc/22/23/93/571222393.db2.gz YVPYRZZAOOYJHT-YJBOKZPZSA-N 1 1 362.478 1.023 50 0 FDAAMO Cc1nnnn1CCC[NH+]1C[C@H]2C[N@@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000426414919 571222395 /nfs/dbraw/zinc/22/23/95/571222395.db2.gz YVPYRZZAOOYJHT-YJBOKZPZSA-N 1 1 362.478 1.023 50 0 FDAAMO Cc1nnnn1CCC[NH+]1C[C@H]2C[N@H+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000426414919 571222398 /nfs/dbraw/zinc/22/23/98/571222398.db2.gz YVPYRZZAOOYJHT-YJBOKZPZSA-N 1 1 362.478 1.023 50 0 FDAAMO Cc1nnc(C2CCN(C(=O)[C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)[nH]1 ZINC000426421285 571223167 /nfs/dbraw/zinc/22/31/67/571223167.db2.gz RBGJXGPLZMNWOF-INIZCTEOSA-N 1 1 361.490 1.710 50 0 FDAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000426431005 571224500 /nfs/dbraw/zinc/22/45/00/571224500.db2.gz HIILXJRKJRTALJ-YHDCXSKOSA-N 1 1 373.497 1.424 50 0 FDAAMO [NH3+]Cc1nnc(SC[C@@H]2CCCS(=O)(=O)C2)n1Cc1ccccc1 ZINC000426514847 571229559 /nfs/dbraw/zinc/22/95/59/571229559.db2.gz PJGKPVDRQYFREJ-AWEZNQCLSA-N 1 1 366.512 1.702 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cc(-n2cnnc2)ccc1F ZINC000426711132 571236048 /nfs/dbraw/zinc/23/60/48/571236048.db2.gz CEDHVTQBIVWOGO-HOTGVXAUSA-N 1 1 362.409 1.636 50 0 FDAAMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[C@]1(O)CCCOC1 ZINC000585091640 571320343 /nfs/dbraw/zinc/32/03/43/571320343.db2.gz CQAQFHJQWYFECQ-WOJBJXKFSA-N 1 1 373.453 1.115 50 0 FDAAMO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)cc1C(C)C ZINC000670444584 571349919 /nfs/dbraw/zinc/34/99/19/571349919.db2.gz QWLYCZSAEREZOW-OAHLLOKOSA-N 1 1 370.515 1.801 50 0 FDAAMO COc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](CO)C2)cc1C(C)C ZINC000670444584 571349920 /nfs/dbraw/zinc/34/99/20/571349920.db2.gz QWLYCZSAEREZOW-OAHLLOKOSA-N 1 1 370.515 1.801 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1OCCN1CCOCC1 ZINC000670453877 571353279 /nfs/dbraw/zinc/35/32/79/571353279.db2.gz KBQXUGKQNOQKSP-SFHVURJKSA-N 1 1 364.486 1.753 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@@H](O)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000015077773 670626877 /nfs/dbraw/zinc/62/68/77/670626877.db2.gz GQEYISRCJSUHHH-OAHLLOKOSA-N 1 1 363.849 1.166 50 0 FDAAMO CN1CC[NH+](C[C@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 ZINC000019226753 670666268 /nfs/dbraw/zinc/66/62/68/670666268.db2.gz BZYKKULFTTXTGC-HNNXBMFYSA-N 1 1 361.408 1.326 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000091830348 671513326 /nfs/dbraw/zinc/51/33/26/671513326.db2.gz FDTQODHUBCXYNK-KRWDZBQOSA-N 1 1 354.882 1.443 50 0 FDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000122253403 671714809 /nfs/dbraw/zinc/71/48/09/671714809.db2.gz PBGPIGIBYLLAKI-CYBMUJFWSA-N 1 1 363.531 1.947 50 0 FDAAMO CC(C)c1cccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000186122308 672268378 /nfs/dbraw/zinc/26/83/78/672268378.db2.gz WKVPLZPRKHJKCX-MRXNPFEDSA-N 1 1 365.499 1.395 50 0 FDAAMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000280404856 791894175 /nfs/dbraw/zinc/89/41/75/791894175.db2.gz GWADFLQNGUVJLO-UHFFFAOYSA-N 1 1 359.470 1.216 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO)c1nccc2ccccc21 ZINC000257195827 794067658 /nfs/dbraw/zinc/06/76/58/794067658.db2.gz WYWDMAMKFVEXDZ-MAUKXSAKSA-N 1 1 355.438 1.436 50 0 FDAAMO CC(C)C(=O)N1C[C@H](O)C[C@H]1c1nnc2n1CC[N@H+](C1CCCCC1)C2 ZINC000675009199 795199670 /nfs/dbraw/zinc/19/96/70/795199670.db2.gz AXSYTKUONSFJSV-CVEARBPZSA-N 1 1 361.490 1.717 50 0 FDAAMO CC(C)C(=O)N1C[C@H](O)C[C@H]1c1nnc2n1CC[N@@H+](C1CCCCC1)C2 ZINC000675009199 795199672 /nfs/dbraw/zinc/19/96/72/795199672.db2.gz AXSYTKUONSFJSV-CVEARBPZSA-N 1 1 361.490 1.717 50 0 FDAAMO O=C(CCO)N1CCC([C@H]2c3[nH]cnc3CC[N@H+]2Cc2cccnc2)CC1 ZINC000675012803 795215139 /nfs/dbraw/zinc/21/51/39/795215139.db2.gz STRXAOGRIZDIIF-FQEVSTJZSA-N 1 1 369.469 1.525 50 0 FDAAMO O=C(CCO)N1CCC([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2cccnc2)CC1 ZINC000675012803 795215143 /nfs/dbraw/zinc/21/51/43/795215143.db2.gz STRXAOGRIZDIIF-FQEVSTJZSA-N 1 1 369.469 1.525 50 0 FDAAMO CNC(=O)COc1ccccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017023 801411990 /nfs/dbraw/zinc/41/19/90/801411990.db2.gz ZHISKXBDWHHZOV-QGZVFWFLSA-N 1 1 361.486 1.356 50 0 FDAAMO CC(C)n1cnnc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000107422692 808374982 /nfs/dbraw/zinc/37/49/82/808374982.db2.gz VQXZARXGGPDJSX-HXUWFJFHSA-N 1 1 374.533 1.768 50 0 FDAAMO CC(C)NC(=O)[C@@H]1Cc2nc[nH]c2C2(CC[NH+](Cc3cccn3C)CC2)N1 ZINC000675013708 884137399 /nfs/dbraw/zinc/13/73/99/884137399.db2.gz JFYBGBHMVQBHIA-KRWDZBQOSA-N 1 1 370.501 1.278 50 0 FDAAMO COCC1CCN(S(=O)(=O)NCC[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000824372023 922958370 /nfs/dbraw/zinc/95/83/70/922958370.db2.gz BNNATAGOVKPEEY-QGZVFWFLSA-N 1 1 361.552 1.832 50 0 FDAAMO Cc1ccn(CC(=O)N2CCC3(CC2)C[N@H+]([C@@H]2CCSC2)CCO3)n1 ZINC000827921102 924776635 /nfs/dbraw/zinc/77/66/35/924776635.db2.gz JDMYMSPUVHMUNW-MRXNPFEDSA-N 1 1 364.515 1.390 50 0 FDAAMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000581792559 927591772 /nfs/dbraw/zinc/59/17/72/927591772.db2.gz LZYYHHFFVJIEOG-CQSZACIVSA-N 1 1 373.432 1.648 50 0 FDAAMO CC(C)N1CCN(C(=O)[C@]2(CCO)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581811538 927597478 /nfs/dbraw/zinc/59/74/78/927597478.db2.gz MKQKSEULUBJYJN-NRFANRHFSA-N 1 1 359.514 1.814 50 0 FDAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1 ZINC000585080152 943757640 /nfs/dbraw/zinc/75/76/40/943757640.db2.gz KDRQUPHOYIQECF-IBGZPJMESA-N 1 1 374.529 1.863 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2csc(Cc3ccccc3)n2)C1 ZINC000952963063 960246742 /nfs/dbraw/zinc/24/67/42/960246742.db2.gz HJHQZBHIKSFJEH-HNNXBMFYSA-N 1 1 372.494 1.547 50 0 FDAAMO O=C(c1ccncc1)N1CCC([NH+]2CCN(CC(F)(F)F)CC2)CC1 ZINC000952970166 960263689 /nfs/dbraw/zinc/26/36/89/960263689.db2.gz OFIHQKWILGFKEQ-UHFFFAOYSA-N 1 1 356.392 1.866 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCC3=NNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000952974688 960269820 /nfs/dbraw/zinc/26/98/20/960269820.db2.gz VCOXENCICVGXHE-OKILXGFUSA-N 1 1 350.463 1.133 50 0 FDAAMO NC(=O)COc1ccc(CNCCC[N@@H+]2CCC[C@@H](O)C2)cc1Cl ZINC000952975876 960271827 /nfs/dbraw/zinc/27/18/27/960271827.db2.gz XVPFJWUXNBLNMF-CQSZACIVSA-N 1 1 355.866 1.141 50 0 FDAAMO NC(=O)COc1ccc(CNCCC[N@H+]2CCC[C@@H](O)C2)cc1Cl ZINC000952975876 960271832 /nfs/dbraw/zinc/27/18/32/960271832.db2.gz XVPFJWUXNBLNMF-CQSZACIVSA-N 1 1 355.866 1.141 50 0 FDAAMO C[NH+]1CCN(C2(CNC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CCCC2)CC1 ZINC000952977701 960274652 /nfs/dbraw/zinc/27/46/52/960274652.db2.gz NXVNENULKCHWOX-MRXNPFEDSA-N 1 1 364.534 1.310 50 0 FDAAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CCN2CCCCCC2=O)cc1 ZINC000952980078 960280098 /nfs/dbraw/zinc/28/00/98/960280098.db2.gz UDKMUPXKSLFBJG-UHFFFAOYSA-N 1 1 360.458 1.918 50 0 FDAAMO Cc1cccc(Cl)c1OCCNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981664 960295502 /nfs/dbraw/zinc/29/55/02/960295502.db2.gz NAYBTCAWPYEKOS-CYBMUJFWSA-N 1 1 353.850 1.341 50 0 FDAAMO CC(C)C[N@@H+]1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C[C@H]1CCO ZINC000952989630 960314572 /nfs/dbraw/zinc/31/45/72/960314572.db2.gz WPZCTGYKSAYCCM-CQSZACIVSA-N 1 1 366.487 1.276 50 0 FDAAMO CC(C)C[N@H+]1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C[C@H]1CCO ZINC000952989630 960314579 /nfs/dbraw/zinc/31/45/79/960314579.db2.gz WPZCTGYKSAYCCM-CQSZACIVSA-N 1 1 366.487 1.276 50 0 FDAAMO CC(C)C[N@@H+]1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C[C@@H]1CCO ZINC000952989622 960315083 /nfs/dbraw/zinc/31/50/83/960315083.db2.gz WPZCTGYKSAYCCM-AWEZNQCLSA-N 1 1 366.487 1.276 50 0 FDAAMO CC(C)C[N@H+]1CCN(S(=O)(=O)c2ccc3[nH]cnc3c2)C[C@@H]1CCO ZINC000952989622 960315088 /nfs/dbraw/zinc/31/50/88/960315088.db2.gz WPZCTGYKSAYCCM-AWEZNQCLSA-N 1 1 366.487 1.276 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO)c1ccccc1 ZINC000253414556 1008788422 /nfs/dbraw/zinc/78/84/22/1008788422.db2.gz XUIPIDSXBPQWQG-RBUKOAKNSA-N 1 1 352.434 1.844 50 0 FDAAMO COc1cccc(OCC[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000268860549 180170031 /nfs/dbraw/zinc/17/00/31/180170031.db2.gz RMNZTBVRUVPJDQ-UHFFFAOYSA-N 1 1 356.426 1.390 50 0 FDAAMO CN1CC[C@H](NC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)C1=O ZINC000534584988 540385675 /nfs/dbraw/zinc/38/56/75/540385675.db2.gz XGUOTAZTCAAMIK-SFHVURJKSA-N 1 1 356.470 1.102 50 0 FDAAMO CNc1cc(-c2ccc(C(=O)N[C@@H](C)CCn3cccn3)cc2)[nH+]c(N)n1 ZINC000534637791 540393211 /nfs/dbraw/zinc/39/32/11/540393211.db2.gz DFLWZCZNGZBFNB-ZDUSSCGKSA-N 1 1 365.441 1.595 50 0 FDAAMO Cn1ccnc1-c1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nn1 ZINC000534661290 540396821 /nfs/dbraw/zinc/39/68/21/540396821.db2.gz ZWOVQSOCTVIHBR-UHFFFAOYSA-N 1 1 362.437 1.932 50 0 FDAAMO C[N@H+](CCC(=O)N1CCC(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000299781511 203767961 /nfs/dbraw/zinc/76/79/61/203767961.db2.gz VCFMFKONWOYIFY-QGZVFWFLSA-N 1 1 365.499 1.297 50 0 FDAAMO C[N@@H+](CCC(=O)N1CCC(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000299781511 203767962 /nfs/dbraw/zinc/76/79/62/203767962.db2.gz VCFMFKONWOYIFY-QGZVFWFLSA-N 1 1 365.499 1.297 50 0 FDAAMO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000003058602 204077486 /nfs/dbraw/zinc/07/74/86/204077486.db2.gz ATAYBJGRIZYCTF-UHFFFAOYSA-N 1 1 350.440 1.853 50 0 FDAAMO CN(c1ccc(-c2csc(N3CC[NH+](C)CC3)n2)cc1)S(C)(=O)=O ZINC000008209314 204321538 /nfs/dbraw/zinc/32/15/38/204321538.db2.gz RGJUUUNKHWVGEE-UHFFFAOYSA-N 1 1 366.512 1.958 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000008945069 204350681 /nfs/dbraw/zinc/35/06/81/204350681.db2.gz FFFONPNLRYVXGI-LLVKDONJSA-N 1 1 372.263 1.994 50 0 FDAAMO O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035807239 204356889 /nfs/dbraw/zinc/35/68/89/204356889.db2.gz XYCMDFUIMUCXTH-MSOLQXFVSA-N 1 1 353.422 1.601 50 0 FDAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COCC(C)C)o1 ZINC000036097475 205002773 /nfs/dbraw/zinc/00/27/73/205002773.db2.gz WLEHPJFGIOGPIM-GOSISDBHSA-N 1 1 354.491 1.756 50 0 FDAAMO O=C(c1ccc(-n2cccn2)nn1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000070641208 205023188 /nfs/dbraw/zinc/02/31/88/205023188.db2.gz VNTAFKHBIPJIPB-UHFFFAOYSA-N 1 1 362.437 1.663 50 0 FDAAMO CCC(C)(C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CCO)C3)c1C ZINC000071890387 205029521 /nfs/dbraw/zinc/02/95/21/205029521.db2.gz KZDVPQZMHKCEES-UHFFFAOYSA-N 1 1 371.485 1.845 50 0 FDAAMO O=C(Cn1ncc2ccccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079188418 205056885 /nfs/dbraw/zinc/05/68/85/205056885.db2.gz GZJSOCLKHOGTFU-FUHWJXTLSA-N 1 1 354.454 1.777 50 0 biogenic FDAAMO COc1cccc(CNC(=O)C[NH+](C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000040120141 205057616 /nfs/dbraw/zinc/05/76/16/205057616.db2.gz NQDKZDLNBGJWQQ-OALUTQOASA-N 1 1 362.470 1.971 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H](C)O1 ZINC000041933552 205092570 /nfs/dbraw/zinc/09/25/70/205092570.db2.gz MEAGNOFTLUXICF-AHXJXLJNSA-N 1 1 369.531 1.444 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@H](C)O1 ZINC000041933552 205092575 /nfs/dbraw/zinc/09/25/75/205092575.db2.gz MEAGNOFTLUXICF-AHXJXLJNSA-N 1 1 369.531 1.444 50 0 FDAAMO CC(C)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046140850 205133099 /nfs/dbraw/zinc/13/30/99/205133099.db2.gz JSXDSWPSSPXVRS-UHFFFAOYSA-N 1 1 373.544 1.471 50 0 FDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1C ZINC000046141028 205133352 /nfs/dbraw/zinc/13/33/52/205133352.db2.gz FSGOCOOSAINMRB-UHFFFAOYSA-N 1 1 367.515 1.472 50 0 FDAAMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)C1 ZINC000046934503 205140964 /nfs/dbraw/zinc/14/09/64/205140964.db2.gz OESHYVSHWJIJMS-AWEZNQCLSA-N 1 1 356.426 1.407 50 0 FDAAMO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000046992744 205142261 /nfs/dbraw/zinc/14/22/61/205142261.db2.gz LJTMVWYNVQPWJN-UONOGXRCSA-N 1 1 371.528 1.196 50 0 FDAAMO Nc1c(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 ZINC000053779964 205196234 /nfs/dbraw/zinc/19/62/34/205196234.db2.gz ZVJKJKHTCFIQMU-NSHDSACASA-N 1 1 360.439 1.535 50 0 FDAAMO Nc1c(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 ZINC000053779964 205196237 /nfs/dbraw/zinc/19/62/37/205196237.db2.gz ZVJKJKHTCFIQMU-NSHDSACASA-N 1 1 360.439 1.535 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000058291351 205270706 /nfs/dbraw/zinc/27/07/06/205270706.db2.gz IHRZRBIGOMIVKD-QGZVFWFLSA-N 1 1 367.515 1.426 50 0 FDAAMO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000065458947 205351639 /nfs/dbraw/zinc/35/16/39/205351639.db2.gz VAAPKUXSJUFCBX-UHFFFAOYSA-N 1 1 355.486 1.751 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000065362454 205338027 /nfs/dbraw/zinc/33/80/27/205338027.db2.gz LXQJEAQAHNMZCH-INIZCTEOSA-N 1 1 369.487 1.014 50 0 FDAAMO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000065365460 205339245 /nfs/dbraw/zinc/33/92/45/205339245.db2.gz KADZAPPIYGMGBK-ZDUSSCGKSA-N 1 1 373.906 1.577 50 0 FDAAMO Cc1nn2cc(CCNc3nc(N4CCC[C@@H](O)C4)cc[nH+]3)nc2s1 ZINC000065372595 205342163 /nfs/dbraw/zinc/34/21/63/205342163.db2.gz SSTHJZGFVIDZOS-CYBMUJFWSA-N 1 1 359.459 1.505 50 0 FDAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3c(C)cnn3C)cc2)C1 ZINC000065393974 205345188 /nfs/dbraw/zinc/34/51/88/205345188.db2.gz ZTWIERGBTIKFQX-KRWDZBQOSA-N 1 1 369.469 1.939 50 0 FDAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)NCc3cn4c(n3)SCC4)cc2C1 ZINC000065405750 205346398 /nfs/dbraw/zinc/34/63/98/205346398.db2.gz SFRGCCAGEHELNM-UHFFFAOYSA-N 1 1 360.487 1.729 50 0 FDAAMO CC(C)[N@H+]1CCCn2nc(C(=O)NCc3cn4c(n3)SCC4)cc2C1 ZINC000065405750 205346402 /nfs/dbraw/zinc/34/64/02/205346402.db2.gz SFRGCCAGEHELNM-UHFFFAOYSA-N 1 1 360.487 1.729 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 ZINC000067338656 205370902 /nfs/dbraw/zinc/37/09/02/205370902.db2.gz SWRDIRRWAYQHRW-AWEZNQCLSA-N 1 1 369.487 1.014 50 0 FDAAMO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC(N)=O)CC2)cc1 ZINC000067674632 205381898 /nfs/dbraw/zinc/38/18/98/205381898.db2.gz HIYXMSDETFGIRX-UHFFFAOYSA-N 1 1 357.414 1.266 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2cc(C)n(NC(C)=O)c2C)C1 ZINC000067691287 205383086 /nfs/dbraw/zinc/38/30/86/205383086.db2.gz WNQZTLUHEXVPSF-MRXNPFEDSA-N 1 1 374.489 1.490 50 0 FDAAMO CCC/C=C/CN1CC[N@@H+](C)C2(CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000067712659 205385411 /nfs/dbraw/zinc/38/54/11/205385411.db2.gz STWGDIHRMFBOBS-AATRIKPKSA-N 1 1 364.534 1.877 50 0 FDAAMO CCC/C=C/C[N@@H+]1CCN(C)C2(CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000067712659 205385415 /nfs/dbraw/zinc/38/54/15/205385415.db2.gz STWGDIHRMFBOBS-AATRIKPKSA-N 1 1 364.534 1.877 50 0 FDAAMO CCC/C=C/C[N@H+]1CCN(C)C2(CCN(C(=O)N3CCOCC3)CC2)C1 ZINC000067712659 205385420 /nfs/dbraw/zinc/38/54/20/205385420.db2.gz STWGDIHRMFBOBS-AATRIKPKSA-N 1 1 364.534 1.877 50 0 FDAAMO Cc1cnc(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)cn1 ZINC000067754924 205388488 /nfs/dbraw/zinc/38/84/88/205388488.db2.gz CGMFNUKGIHRSIB-OAQYLSRUSA-N 1 1 368.481 1.861 50 0 FDAAMO CC[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000067847253 205396714 /nfs/dbraw/zinc/39/67/14/205396714.db2.gz VZNVEPMHGRDNCO-CQSZACIVSA-N 1 1 350.440 1.546 50 0 FDAAMO CC[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000067847253 205396715 /nfs/dbraw/zinc/39/67/15/205396715.db2.gz VZNVEPMHGRDNCO-CQSZACIVSA-N 1 1 350.440 1.546 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(NCC(=O)N(C)C)nc2)C1 ZINC000067856477 205397913 /nfs/dbraw/zinc/39/79/13/205397913.db2.gz RNADHTSIPUPAPA-HNNXBMFYSA-N 1 1 361.490 1.289 50 0 FDAAMO Cc1ncncc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071711922 205435423 /nfs/dbraw/zinc/43/54/23/205435423.db2.gz FQNOMHWHHAVEFN-HNNXBMFYSA-N 1 1 371.485 1.380 50 0 FDAAMO CC(C)c1nc2c(cnn2C)c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000072150819 205484073 /nfs/dbraw/zinc/48/40/73/205484073.db2.gz YOPXLKRFAMFXKE-CYBMUJFWSA-N 1 1 359.478 1.486 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccs1 ZINC000007420983 206208307 /nfs/dbraw/zinc/20/83/07/206208307.db2.gz MGQGRZFOFYLXHO-LLVKDONJSA-N 1 1 353.469 1.855 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccs1 ZINC000007420983 206208310 /nfs/dbraw/zinc/20/83/10/206208310.db2.gz MGQGRZFOFYLXHO-LLVKDONJSA-N 1 1 353.469 1.855 50 0 FDAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)CNc2ccc(O)cc2)C1 ZINC000005757179 206196940 /nfs/dbraw/zinc/19/69/40/206196940.db2.gz LFHHUAMCQMHXQL-HDMKZQKVSA-N 1 1 355.438 1.446 50 0 biogenic FDAAMO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(S(N)(=O)=O)cc1 ZINC000008403909 206216528 /nfs/dbraw/zinc/21/65/28/206216528.db2.gz XKTIQVOEXOFTNK-SNVBAGLBSA-N 1 1 364.452 1.254 50 0 FDAAMO COc1cc(Br)c(CNC[C@H]2CN(C)CCO2)cc1OC ZINC000105472623 206240580 /nfs/dbraw/zinc/24/05/80/206240580.db2.gz MUCFGDVZOKSGLZ-LBPRGKRZSA-N 1 1 359.264 1.887 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000169774394 206261700 /nfs/dbraw/zinc/26/17/00/206261700.db2.gz GKAFSDCRZWLIML-XJKSGUPXSA-N 1 1 358.442 1.118 50 0 FDAAMO C[C@@H]1CN(C(=O)CCNC(=O)c2cccs2)CC[N@H+]1CC(C)(C)O ZINC000170602691 206272897 /nfs/dbraw/zinc/27/28/97/206272897.db2.gz RWOBRSHZUOGKEW-CYBMUJFWSA-N 1 1 353.488 1.172 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)[nH]c2c3ccccc3nn2c1=O ZINC000170622116 206276183 /nfs/dbraw/zinc/27/61/83/206276183.db2.gz IATIZELOAQMAAJ-CQSZACIVSA-N 1 1 367.453 1.627 50 0 FDAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1 ZINC000012229329 206288087 /nfs/dbraw/zinc/28/80/87/206288087.db2.gz AOVCKBICONMEEF-UHFFFAOYSA-N 1 1 361.471 1.909 50 0 FDAAMO CCC[N@H+]1CCc2c(sc(NC(=O)c3cc(C)nn3C)c2C(N)=O)C1 ZINC000012229329 206288091 /nfs/dbraw/zinc/28/80/91/206288091.db2.gz AOVCKBICONMEEF-UHFFFAOYSA-N 1 1 361.471 1.909 50 0 FDAAMO CC(=O)N1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000107364781 206312686 /nfs/dbraw/zinc/31/26/86/206312686.db2.gz DPQXAMLNYUGFKX-ULQDDVLXSA-N 1 1 373.497 1.989 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[NH+]2CCN(Cc3noc(C)n3)CC2)c1 ZINC000214967359 206342656 /nfs/dbraw/zinc/34/26/56/206342656.db2.gz YVDYDEOLUGPKOU-UHFFFAOYSA-N 1 1 368.441 1.890 50 0 FDAAMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000215657018 206349697 /nfs/dbraw/zinc/34/96/97/206349697.db2.gz WMUMQLAMUVDSPX-IBGZPJMESA-N 1 1 361.486 1.498 50 0 FDAAMO CS(=O)(=O)NC1CC[NH+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000215751685 206350758 /nfs/dbraw/zinc/35/07/58/206350758.db2.gz DLYKVWALHKWULX-UHFFFAOYSA-N 1 1 352.435 1.525 50 0 FDAAMO O=C([C@@H]1CCOC1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000216079871 206354167 /nfs/dbraw/zinc/35/41/67/206354167.db2.gz HMQUCJADBGVRPP-LJQANCHMSA-N 1 1 357.498 1.832 50 0 FDAAMO Cc1csc2nc(O)c(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c(=O)n12 ZINC000022852908 206394476 /nfs/dbraw/zinc/39/44/76/206394476.db2.gz USJOPVUDEIEXMJ-LLVKDONJSA-N 1 1 364.471 1.764 50 0 FDAAMO C[NH+]1CCN(CCC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)CC1 ZINC000221406508 206408205 /nfs/dbraw/zinc/40/82/05/206408205.db2.gz CFZKASCIHXIUFK-OAQYLSRUSA-N 1 1 373.541 1.856 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc3c(c2)ncn(C)c3=O)CC1 ZINC000091656006 132202981 /nfs/dbraw/zinc/20/29/81/132202981.db2.gz ICAQRGWNKYLNRY-UHFFFAOYSA-N 1 1 363.421 1.599 50 0 FDAAMO Nc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc[nH+]1 ZINC000091794300 132203872 /nfs/dbraw/zinc/20/38/72/132203872.db2.gz RRPYIPDDZLSVTO-LJQANCHMSA-N 1 1 352.442 1.863 50 0 FDAAMO Cc1cc(N2CCC([NH2+]CCCn3ccnn3)CC2)nc(N2CCCC2)n1 ZINC000095529472 132214883 /nfs/dbraw/zinc/21/48/83/132214883.db2.gz WRUIQHDXRQEFCU-UHFFFAOYSA-N 1 1 370.505 1.625 50 0 FDAAMO CNc1nc(N2CCN(Cc3nccn3C)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299781131 132299443 /nfs/dbraw/zinc/29/94/43/132299443.db2.gz DCHXYKVKBGBZCV-CQSZACIVSA-N 1 1 357.462 1.078 50 0 FDAAMO CCNC(=O)CN(CC)C(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000058341682 136131590 /nfs/dbraw/zinc/13/15/90/136131590.db2.gz BOKSMXKQTFZCIL-UHFFFAOYSA-N 1 1 364.465 1.566 50 0 FDAAMO Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071754404 136140262 /nfs/dbraw/zinc/14/02/62/136140262.db2.gz FUAYYUPZLMJCHT-HNNXBMFYSA-N 1 1 358.490 1.362 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000072426228 136146396 /nfs/dbraw/zinc/14/63/96/136146396.db2.gz GCVAZQZHVRYXMN-UHFFFAOYSA-N 1 1 369.473 1.280 50 0 FDAAMO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(C[N@@H+]3CCNC(=O)CC3)cc2c1 ZINC000072477034 136149368 /nfs/dbraw/zinc/14/93/68/136149368.db2.gz AAUFZLZSVXHHEL-GOSISDBHSA-N 1 1 368.481 1.826 50 0 FDAAMO Cc1ccc2nc(N3CCC[C@@H](O)C3)c(C[N@H+]3CCNC(=O)CC3)cc2c1 ZINC000072477034 136149369 /nfs/dbraw/zinc/14/93/69/136149369.db2.gz AAUFZLZSVXHHEL-GOSISDBHSA-N 1 1 368.481 1.826 50 0 FDAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)Cn3cc4ccccc4n3)CC2)cn1 ZINC000330152184 259129689 /nfs/dbraw/zinc/12/96/89/259129689.db2.gz NSWFYXARIGLZGH-UHFFFAOYSA-N 1 1 352.442 1.504 50 0 FDAAMO Cn1cc(C[N@H+]2CCCN(C(=O)Cn3cc4ccccc4n3)CC2)cn1 ZINC000330152184 259129690 /nfs/dbraw/zinc/12/96/90/259129690.db2.gz NSWFYXARIGLZGH-UHFFFAOYSA-N 1 1 352.442 1.504 50 0 FDAAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000007203276 518407528 /nfs/dbraw/zinc/40/75/28/518407528.db2.gz XFXGZXAODWMXGW-SECBINFHSA-N 1 1 372.454 1.886 50 0 FDAAMO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060332 518494496 /nfs/dbraw/zinc/49/44/96/518494496.db2.gz VZNQTIPGUTYJPC-AWEZNQCLSA-N 1 1 359.478 1.417 50 0 FDAAMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC000011771563 518572096 /nfs/dbraw/zinc/57/20/96/518572096.db2.gz WENJUBXEKKDWCO-INIZCTEOSA-N 1 1 361.486 1.992 50 0 FDAAMO COc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC000011771563 518572103 /nfs/dbraw/zinc/57/21/03/518572103.db2.gz WENJUBXEKKDWCO-INIZCTEOSA-N 1 1 361.486 1.992 50 0 FDAAMO CC(C)(C)NC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011843722 518574838 /nfs/dbraw/zinc/57/48/38/518574838.db2.gz LGWQKBOIMFFKRF-AWEZNQCLSA-N 1 1 350.507 1.950 50 0 FDAAMO CCc1cc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)on1 ZINC000012073082 518585175 /nfs/dbraw/zinc/58/51/75/518585175.db2.gz DBTQAIAEIOBNML-KRWDZBQOSA-N 1 1 362.474 1.624 50 0 FDAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000012303444 518602313 /nfs/dbraw/zinc/60/23/13/518602313.db2.gz KXGWIWVDBZVCBP-QGZVFWFLSA-N 1 1 361.534 1.834 50 0 FDAAMO Cc1cc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)[nH]n1 ZINC000012445994 518614470 /nfs/dbraw/zinc/61/44/70/518614470.db2.gz BGKSGIWPMCGOBX-LJQANCHMSA-N 1 1 360.433 1.843 50 0 FDAAMO Cc1cc(C[N@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)[nH]n1 ZINC000012445994 518614479 /nfs/dbraw/zinc/61/44/79/518614479.db2.gz BGKSGIWPMCGOBX-LJQANCHMSA-N 1 1 360.433 1.843 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCCO1 ZINC000012471561 518617230 /nfs/dbraw/zinc/61/72/30/518617230.db2.gz QQXPCQOKAXQUOD-SFHVURJKSA-N 1 1 353.422 1.694 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCCO1 ZINC000012471561 518617236 /nfs/dbraw/zinc/61/72/36/518617236.db2.gz QQXPCQOKAXQUOD-SFHVURJKSA-N 1 1 353.422 1.694 50 0 FDAAMO COc1ccccc1COC[C@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000012760223 518631249 /nfs/dbraw/zinc/63/12/49/518631249.db2.gz NRUYPUVTMGSJST-MRXNPFEDSA-N 1 1 363.483 1.851 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)C1 ZINC000014199273 518682765 /nfs/dbraw/zinc/68/27/65/518682765.db2.gz WPNJRJGHRIQYDM-GOSISDBHSA-N 1 1 363.417 1.798 50 0 FDAAMO C[N@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)C1 ZINC000014199273 518682769 /nfs/dbraw/zinc/68/27/69/518682769.db2.gz WPNJRJGHRIQYDM-GOSISDBHSA-N 1 1 363.417 1.798 50 0 FDAAMO CC(C)[C@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014754523 518698592 /nfs/dbraw/zinc/69/85/92/518698592.db2.gz NPORBVYTBIFEOD-QZTJIDSGSA-N 1 1 352.438 1.402 50 0 FDAAMO CC(C)[C@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014754523 518698598 /nfs/dbraw/zinc/69/85/98/518698598.db2.gz NPORBVYTBIFEOD-QZTJIDSGSA-N 1 1 352.438 1.402 50 0 FDAAMO CCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000015077557 518708803 /nfs/dbraw/zinc/70/88/03/518708803.db2.gz XKOHWNAWNAKYMP-KRWDZBQOSA-N 1 1 373.501 1.604 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000015868404 518737953 /nfs/dbraw/zinc/73/79/53/518737953.db2.gz VEUVNSCBUOFLLZ-UHFFFAOYSA-N 1 1 367.515 1.296 50 0 FDAAMO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000018063885 518790110 /nfs/dbraw/zinc/79/01/10/518790110.db2.gz YLAYWYSLLVRPJN-AWEZNQCLSA-N 1 1 350.802 1.811 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3cn4ccccc4n3)C2)CC1 ZINC000019338140 518808566 /nfs/dbraw/zinc/80/85/66/518808566.db2.gz XMABHQJRAIWUTN-QGZVFWFLSA-N 1 1 369.513 1.799 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1 ZINC000019626032 518823294 /nfs/dbraw/zinc/82/32/94/518823294.db2.gz GBHWXTRYHGPZMI-UHFFFAOYSA-N 1 1 371.403 1.682 50 0 FDAAMO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](CCO)CC2)cc1Cl ZINC000020662138 518856009 /nfs/dbraw/zinc/85/60/09/518856009.db2.gz RBUJIJSECGXUHW-UHFFFAOYSA-N 1 1 372.860 1.892 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000021486908 518874159 /nfs/dbraw/zinc/87/41/59/518874159.db2.gz OLAURHZCPPZTLV-QGZVFWFLSA-N 1 1 365.499 1.312 50 0 FDAAMO Cn1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2NCc1ccccc1 ZINC000021929056 518887594 /nfs/dbraw/zinc/88/75/94/518887594.db2.gz DZIXSBIUYIXPQH-UHFFFAOYSA-N 1 1 367.457 1.090 50 0 FDAAMO C[N@@H+](CCO)CCOCCOc1ccc(I)cc1 ZINC000022079096 518891532 /nfs/dbraw/zinc/89/15/32/518891532.db2.gz SWBNXVLEIGLXGC-UHFFFAOYSA-N 1 1 365.211 1.611 50 0 FDAAMO CCCNC(=O)CN(C)CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000022515447 518901168 /nfs/dbraw/zinc/90/11/68/518901168.db2.gz LSDVNAUBWRCNBV-UHFFFAOYSA-N 1 1 360.502 1.097 50 0 FDAAMO C[C@]1(C2CC2)NC(=O)N(CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000022777055 518910590 /nfs/dbraw/zinc/91/05/90/518910590.db2.gz KEPQZKYCKMIANF-WKOQKXSESA-N 1 1 368.481 1.995 50 0 FDAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)N1CCOCC1 ZINC000022807592 518914483 /nfs/dbraw/zinc/91/44/83/518914483.db2.gz AULIIAOGTYZDRI-UHFFFAOYSA-N 1 1 359.495 1.878 50 0 FDAAMO COc1ncccc1CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000023140444 518931248 /nfs/dbraw/zinc/93/12/48/518931248.db2.gz XTWZDCFYBJRBHI-UHFFFAOYSA-N 1 1 354.454 1.524 50 0 FDAAMO CCCn1ncc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)c1C ZINC000023145272 518933275 /nfs/dbraw/zinc/93/32/75/518933275.db2.gz LXAFEUINGRLKNP-FQEVSTJZSA-N 1 1 363.550 1.564 50 0 FDAAMO CCCn1ncc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)c1C ZINC000023145272 518933283 /nfs/dbraw/zinc/93/32/83/518933283.db2.gz LXAFEUINGRLKNP-FQEVSTJZSA-N 1 1 363.550 1.564 50 0 FDAAMO CC(C)([NH3+])c1cn(C2CCN(Cc3cccn3-c3ncccn3)CC2)nn1 ZINC000023619434 518958795 /nfs/dbraw/zinc/95/87/95/518958795.db2.gz QBHAHPIBFIZKLG-UHFFFAOYSA-N 1 1 366.473 1.890 50 0 FDAAMO O=c1cc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc2ccccn12 ZINC000024193267 518982508 /nfs/dbraw/zinc/98/25/08/518982508.db2.gz PBRXZYJAZGIBNM-UHFFFAOYSA-N 1 1 362.433 1.952 50 0 FDAAMO COc1ccc(CNC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000025229905 519045344 /nfs/dbraw/zinc/04/53/44/519045344.db2.gz INMHGJNEQBDXEC-SJLPKXTDSA-N 1 1 363.458 1.232 50 0 FDAAMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c(OC)c1 ZINC000025301350 519052846 /nfs/dbraw/zinc/05/28/46/519052846.db2.gz JWMHKTRBDKPMFD-MAUKXSAKSA-N 1 1 350.459 1.534 50 0 FDAAMO COC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000026455771 519123263 /nfs/dbraw/zinc/12/32/63/519123263.db2.gz YPMYAGKRYUGMMW-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000032674825 519523364 /nfs/dbraw/zinc/52/33/64/519523364.db2.gz MMZFHNPSWQVZAD-OXJNMPFZSA-N 1 1 370.453 1.098 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000032908400 519549890 /nfs/dbraw/zinc/54/98/90/519549890.db2.gz UBRGQWMEWABDJV-UHFFFAOYSA-N 1 1 361.833 1.410 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000034691392 519596288 /nfs/dbraw/zinc/59/62/88/519596288.db2.gz XUYWSWSXFJFRIC-MOPGFXCFSA-N 1 1 364.486 1.555 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000034691392 519596292 /nfs/dbraw/zinc/59/62/92/519596292.db2.gz XUYWSWSXFJFRIC-MOPGFXCFSA-N 1 1 364.486 1.555 50 0 FDAAMO COc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035349301 519605415 /nfs/dbraw/zinc/60/54/15/519605415.db2.gz XKSBXBDCHLVCHF-UGSOOPFHSA-N 1 1 353.422 1.853 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000040089511 519639838 /nfs/dbraw/zinc/63/98/38/519639838.db2.gz KZWQGHRNPYIZEO-UHFFFAOYSA-N 1 1 358.486 1.571 50 0 FDAAMO CCCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020453688 520690927 /nfs/dbraw/zinc/69/09/27/520690927.db2.gz FSIPFOCGOUUCPW-SFHVURJKSA-N 1 1 365.518 1.572 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)cc1 ZINC000091452652 520971474 /nfs/dbraw/zinc/97/14/74/520971474.db2.gz ZRIGAZGNLSNOKO-UHFFFAOYSA-N 1 1 372.469 1.950 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)cc1 ZINC000091452652 520971483 /nfs/dbraw/zinc/97/14/83/520971483.db2.gz ZRIGAZGNLSNOKO-UHFFFAOYSA-N 1 1 372.469 1.950 50 0 FDAAMO CCN1CCN(C(=O)[C@H](C)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)CC1 ZINC000089977275 521667540 /nfs/dbraw/zinc/66/75/40/521667540.db2.gz RHQMDXKFZVKRKJ-SFHVURJKSA-N 1 1 373.545 1.530 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)[nH]n1 ZINC000071388652 522109905 /nfs/dbraw/zinc/10/99/05/522109905.db2.gz WTOKYDZOLZVHKC-AWEZNQCLSA-N 1 1 359.474 1.313 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071388652 522109914 /nfs/dbraw/zinc/10/99/14/522109914.db2.gz WTOKYDZOLZVHKC-AWEZNQCLSA-N 1 1 359.474 1.313 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071388652 522109923 /nfs/dbraw/zinc/10/99/23/522109923.db2.gz WTOKYDZOLZVHKC-AWEZNQCLSA-N 1 1 359.474 1.313 50 0 FDAAMO Cc1ncoc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071499086 522114188 /nfs/dbraw/zinc/11/41/88/522114188.db2.gz RGWMSXWLRPACMX-CQSZACIVSA-N 1 1 360.458 1.578 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)no1 ZINC000071415726 522115013 /nfs/dbraw/zinc/11/50/13/522115013.db2.gz LTHFMSUMIAWGKE-INIZCTEOSA-N 1 1 374.485 1.922 50 0 FDAAMO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000071681283 522117456 /nfs/dbraw/zinc/11/74/56/522117456.db2.gz UUTNLHMGAWWFPY-KRWDZBQOSA-N 1 1 372.469 1.699 50 0 FDAAMO COCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071752135 522124483 /nfs/dbraw/zinc/12/44/83/522124483.db2.gz ORRDVROQTRIIOP-SFHVURJKSA-N 1 1 374.529 1.863 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 ZINC000071749576 522125330 /nfs/dbraw/zinc/12/53/30/522125330.db2.gz SCLMFGMPGXEABY-INIZCTEOSA-N 1 1 366.469 1.966 50 0 FDAAMO O=c1c2ccc(F)cc2ncn1C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000071825039 522135846 /nfs/dbraw/zinc/13/58/46/522135846.db2.gz PPTZIUGHKQJZTB-QGZVFWFLSA-N 1 1 353.397 1.955 50 0 FDAAMO CN(CC1(CO)CCC1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072120906 522152067 /nfs/dbraw/zinc/15/20/67/522152067.db2.gz NGTSIYDQLYOIMT-SFHVURJKSA-N 1 1 373.497 1.041 50 0 FDAAMO CN(CC1(CO)CCC1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072120906 522152072 /nfs/dbraw/zinc/15/20/72/522152072.db2.gz NGTSIYDQLYOIMT-SFHVURJKSA-N 1 1 373.497 1.041 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nncn1C(C)C ZINC000072125306 522155062 /nfs/dbraw/zinc/15/50/62/522155062.db2.gz VFBBPYNQQHCDKS-OAHLLOKOSA-N 1 1 364.494 1.054 50 0 FDAAMO Cn1ccnc1CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)(C)C)C1CC1 ZINC000072125319 522155296 /nfs/dbraw/zinc/15/52/96/522155296.db2.gz IABIAMNZALPJCU-OAHLLOKOSA-N 1 1 361.490 1.148 50 0 FDAAMO Cn1ccnc1CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)(C)C)C1CC1 ZINC000072125319 522155304 /nfs/dbraw/zinc/15/53/04/522155304.db2.gz IABIAMNZALPJCU-OAHLLOKOSA-N 1 1 361.490 1.148 50 0 FDAAMO CCCc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(F)cc2)no1 ZINC000072133581 522160749 /nfs/dbraw/zinc/16/07/49/522160749.db2.gz JOBISBUGBVLREQ-INIZCTEOSA-N 1 1 360.389 1.819 50 0 FDAAMO Cc1cccc2ncc(C(=O)N3CCC([N@H+]4CCC[C@@H](O)C4)CC3)c(=O)n12 ZINC000072137082 522165843 /nfs/dbraw/zinc/16/58/43/522165843.db2.gz DUBVLLVHZDKLOV-MRXNPFEDSA-N 1 1 370.453 1.064 50 0 FDAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2nc3ncccn3n2)C1 ZINC000072148754 522172954 /nfs/dbraw/zinc/17/29/54/522172954.db2.gz VTXYJRULTMXRSK-INIZCTEOSA-N 1 1 350.426 1.861 50 0 FDAAMO O[C@H](CNc1nc(-c2cccnc2)nc2c1CNC2)C[NH+]1CCCCCC1 ZINC000072152333 522179087 /nfs/dbraw/zinc/17/90/87/522179087.db2.gz HKTVGXLLQZTXKV-MRXNPFEDSA-N 1 1 368.485 1.791 50 0 FDAAMO CN(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 ZINC000072168489 522195903 /nfs/dbraw/zinc/19/59/03/522195903.db2.gz IKTSHNBIWKDYEU-GOSISDBHSA-N 1 1 368.485 1.637 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 ZINC000072168489 522195909 /nfs/dbraw/zinc/19/59/09/522195909.db2.gz IKTSHNBIWKDYEU-GOSISDBHSA-N 1 1 368.485 1.637 50 0 FDAAMO COCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072174164 522203099 /nfs/dbraw/zinc/20/30/99/522203099.db2.gz NVZVINBRAIWQRI-SFHVURJKSA-N 1 1 355.438 1.293 50 0 FDAAMO COCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072174164 522203108 /nfs/dbraw/zinc/20/31/08/522203108.db2.gz NVZVINBRAIWQRI-SFHVURJKSA-N 1 1 355.438 1.293 50 0 FDAAMO Cc1ncc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(=O)[nH]1 ZINC000072407803 522237619 /nfs/dbraw/zinc/23/76/19/522237619.db2.gz MWHROHSBUTXPFT-UHFFFAOYSA-N 1 1 354.454 1.859 50 0 FDAAMO O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072409738 522243513 /nfs/dbraw/zinc/24/35/13/522243513.db2.gz HWSWCMNOWPTOAY-CQSZACIVSA-N 1 1 360.324 1.241 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@@](O)(CO)C2)c1OCCn1ccnc1 ZINC000072427873 522261223 /nfs/dbraw/zinc/26/12/23/522261223.db2.gz HTDFNNIADZLAIT-IBGZPJMESA-N 1 1 361.442 1.290 50 0 FDAAMO CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072428142 522263477 /nfs/dbraw/zinc/26/34/77/522263477.db2.gz OUXAWKQFNKLHID-SFHVURJKSA-N 1 1 369.469 1.769 50 0 FDAAMO CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)cn1 ZINC000072429246 522263827 /nfs/dbraw/zinc/26/38/27/522263827.db2.gz FCYQXKMDRWHFBA-FUHWJXTLSA-N 1 1 356.474 1.682 50 0 FDAAMO CCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)cn1 ZINC000072429246 522263836 /nfs/dbraw/zinc/26/38/36/522263836.db2.gz FCYQXKMDRWHFBA-FUHWJXTLSA-N 1 1 356.474 1.682 50 0 FDAAMO CCn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)cn1 ZINC000072429246 522263847 /nfs/dbraw/zinc/26/38/47/522263847.db2.gz FCYQXKMDRWHFBA-FUHWJXTLSA-N 1 1 356.474 1.682 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000072454822 522284307 /nfs/dbraw/zinc/28/43/07/522284307.db2.gz UFKKGYYKVABSMQ-OALUTQOASA-N 1 1 356.470 1.997 50 0 FDAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072473813 522294952 /nfs/dbraw/zinc/29/49/52/522294952.db2.gz KQHYWPBBCLBLKY-GOSISDBHSA-N 1 1 368.416 1.855 50 0 FDAAMO CN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1O ZINC000072481160 522305314 /nfs/dbraw/zinc/30/53/14/522305314.db2.gz NGWVZYKORAGRGG-DOTOQJQBSA-N 1 1 358.442 1.796 50 0 FDAAMO CN(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C[C@H]1O ZINC000072481160 522305322 /nfs/dbraw/zinc/30/53/22/522305322.db2.gz NGWVZYKORAGRGG-DOTOQJQBSA-N 1 1 358.442 1.796 50 0 FDAAMO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000062022002 522508291 /nfs/dbraw/zinc/50/82/91/522508291.db2.gz NJTOVCGWPNCPRH-UHFFFAOYSA-N 1 1 352.394 1.448 50 0 FDAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000091651531 522673699 /nfs/dbraw/zinc/67/36/99/522673699.db2.gz FYNCXABUPZEOME-AWEZNQCLSA-N 1 1 351.878 1.956 50 0 FDAAMO CN(CCC(=O)N1CC(Oc2ccccc2Cl)C1)[C@H]1CC[N@H+](C)C1 ZINC000091651531 522673711 /nfs/dbraw/zinc/67/37/11/522673711.db2.gz FYNCXABUPZEOME-AWEZNQCLSA-N 1 1 351.878 1.956 50 0 FDAAMO CN(CCC(=O)N1CC(Oc2ccccc2Cl)C1)[C@H]1CC[N@@H+](C)C1 ZINC000091651531 522673722 /nfs/dbraw/zinc/67/37/22/522673722.db2.gz FYNCXABUPZEOME-AWEZNQCLSA-N 1 1 351.878 1.956 50 0 FDAAMO O=c1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)nc2c(O)cccn12 ZINC000077323516 523296696 /nfs/dbraw/zinc/29/66/96/523296696.db2.gz ZHKIVRVTQFZFPG-MRXNPFEDSA-N 1 1 358.442 1.087 50 0 FDAAMO O=c1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)nc2c(O)cccn12 ZINC000077323518 523297284 /nfs/dbraw/zinc/29/72/84/523297284.db2.gz ZHKIVRVTQFZFPG-INIZCTEOSA-N 1 1 358.442 1.087 50 0 FDAAMO COC(=O)CC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077407956 523328024 /nfs/dbraw/zinc/32/80/24/523328024.db2.gz HCHHOQTXPADPAJ-LJQANCHMSA-N 1 1 360.458 1.553 50 0 FDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000077540779 523378375 /nfs/dbraw/zinc/37/83/75/523378375.db2.gz ARWNVNAARGYDER-SFHVURJKSA-N 1 1 359.470 1.740 50 0 FDAAMO C[NH+](C)CCNC(=O)[C@H]1C[C@@](C)(C(=O)[O-])[N@@H+](C)[C@H]1c1ccccc1Cl ZINC000067895270 523626503 /nfs/dbraw/zinc/62/65/03/523626503.db2.gz QBVSAXHLNYPHCP-YEWWUXTCSA-N 1 1 367.877 1.854 50 0 FDAAMO CC(C)c1csc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1 ZINC000067909767 523629952 /nfs/dbraw/zinc/62/99/52/523629952.db2.gz ZRTLOUYSIKOSEE-UHFFFAOYSA-N 1 1 350.488 1.693 50 0 FDAAMO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000078722683 523643320 /nfs/dbraw/zinc/64/33/20/523643320.db2.gz FHTUONWOIWTUPV-UHFFFAOYSA-N 1 1 353.488 1.544 50 0 FDAAMO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000078722683 523643327 /nfs/dbraw/zinc/64/33/27/523643327.db2.gz FHTUONWOIWTUPV-UHFFFAOYSA-N 1 1 353.488 1.544 50 0 FDAAMO COC(=O)c1cc2n(n1)CCC[N@H+](Cc1cc(C)n(-n3cnnc3)c1C)C2 ZINC000067947857 523645599 /nfs/dbraw/zinc/64/55/99/523645599.db2.gz RFHSRPMFUYPCCU-UHFFFAOYSA-N 1 1 369.429 1.397 50 0 FDAAMO COC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cc(C)n(-n3cnnc3)c1C)C2 ZINC000067947857 523645605 /nfs/dbraw/zinc/64/56/05/523645605.db2.gz RFHSRPMFUYPCCU-UHFFFAOYSA-N 1 1 369.429 1.397 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](CC(=O)NCc3ccccc3C)C2)C1=O ZINC000091656988 523836397 /nfs/dbraw/zinc/83/63/97/523836397.db2.gz BUUSVNAOGZYHMU-OAQYLSRUSA-N 1 1 373.497 1.572 50 0 FDAAMO C[NH+]1CCN(C(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000020761191 523868789 /nfs/dbraw/zinc/86/87/89/523868789.db2.gz YNGCLVONPPYNHW-UHFFFAOYSA-N 1 1 354.454 1.607 50 0 biogenic FDAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3cccc4[nH]ccc43)no2)CC1 ZINC000020677419 523899044 /nfs/dbraw/zinc/89/90/44/523899044.db2.gz YCNDZUSWTPKYLY-UHFFFAOYSA-N 1 1 368.441 1.585 50 0 FDAAMO C[N@H+]1CCN(Cc2c[nH]c(CC3CCCC3)n2)C[C@]12CCNC(=O)CC2 ZINC000091635711 523909412 /nfs/dbraw/zinc/90/94/12/523909412.db2.gz XUQBJVMOZKWLID-FQEVSTJZSA-N 1 1 359.518 1.929 50 0 FDAAMO C[N@@H+]1CCN(Cc2cnc(CC3CCCC3)[nH]2)C[C@]12CCNC(=O)CC2 ZINC000091635711 523909414 /nfs/dbraw/zinc/90/94/14/523909414.db2.gz XUQBJVMOZKWLID-FQEVSTJZSA-N 1 1 359.518 1.929 50 0 FDAAMO C[N@H+]1CCN(Cc2cnc(CC3CCCC3)[nH]2)C[C@]12CCNC(=O)CC2 ZINC000091635711 523909419 /nfs/dbraw/zinc/90/94/19/523909419.db2.gz XUQBJVMOZKWLID-FQEVSTJZSA-N 1 1 359.518 1.929 50 0 FDAAMO CN(C(=O)c1cnc(C2CC2)[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000091624693 523957660 /nfs/dbraw/zinc/95/76/60/523957660.db2.gz JZSZHMVOMJKKNF-MRXNPFEDSA-N 1 1 352.438 1.994 50 0 FDAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)CNc2cccc(O)c2)C1 ZINC000136581286 524203527 /nfs/dbraw/zinc/20/35/27/524203527.db2.gz NIESREDNVAQROX-DAYGRLMNSA-N 1 1 355.438 1.446 50 0 FDAAMO COc1cc(SC)c(OC)cc1C[N@H+]1CC[C@@]2(CC(=O)NC2=O)C1 ZINC000082108235 524212306 /nfs/dbraw/zinc/21/23/06/524212306.db2.gz XLMUCOUUBOQCTO-QGZVFWFLSA-N 1 1 350.440 1.664 50 0 FDAAMO COc1ccccc1N1CC[C@H](N2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000151512366 524597747 /nfs/dbraw/zinc/59/77/47/524597747.db2.gz CTUOVGGJCVBNAM-SFHVURJKSA-N 1 1 361.486 1.579 50 0 FDAAMO COCCN1CC[C@]2(CN(C(=O)Nc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091270513 524686191 /nfs/dbraw/zinc/68/61/91/524686191.db2.gz CWVXXXAQWHIDHF-FQEVSTJZSA-N 1 1 374.485 1.864 50 0 FDAAMO Cn1cc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)n1 ZINC000091269957 524687612 /nfs/dbraw/zinc/68/76/12/524687612.db2.gz MBGAUVAHUMDRSV-NRFANRHFSA-N 1 1 367.497 1.873 50 0 FDAAMO Cn1cc(C[N@@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)n1 ZINC000091269957 524687624 /nfs/dbraw/zinc/68/76/24/524687624.db2.gz MBGAUVAHUMDRSV-NRFANRHFSA-N 1 1 367.497 1.873 50 0 FDAAMO Cn1cc(C[N@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)n1 ZINC000091269957 524687636 /nfs/dbraw/zinc/68/76/36/524687636.db2.gz MBGAUVAHUMDRSV-NRFANRHFSA-N 1 1 367.497 1.873 50 0 FDAAMO O=C(C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2)N1CCOCC1 ZINC000091364898 524695371 /nfs/dbraw/zinc/69/53/71/524695371.db2.gz IRBNLKCKPUMMFN-SJLPKXTDSA-N 1 1 357.454 1.082 50 0 FDAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2)N1CCOCC1 ZINC000091364898 524695379 /nfs/dbraw/zinc/69/53/79/524695379.db2.gz IRBNLKCKPUMMFN-SJLPKXTDSA-N 1 1 357.454 1.082 50 0 FDAAMO Cc1cccc(OC2CN(C(=O)CC[N@@H+](C)[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000082134135 524709671 /nfs/dbraw/zinc/70/96/71/524709671.db2.gz RNHWWIMOTXEZGC-HNNXBMFYSA-N 1 1 366.483 1.094 50 0 FDAAMO Cc1cccc(OC2CN(C(=O)CC[N@H+](C)[C@H]3CCS(=O)(=O)C3)C2)c1 ZINC000082134135 524709683 /nfs/dbraw/zinc/70/96/83/524709683.db2.gz RNHWWIMOTXEZGC-HNNXBMFYSA-N 1 1 366.483 1.094 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1nnnn1-c1ccccc1)CC2 ZINC000091587452 524733488 /nfs/dbraw/zinc/73/34/88/524733488.db2.gz BEVJAZQBXIDFCT-UHFFFAOYSA-N 1 1 364.457 1.759 50 0 FDAAMO COC[C@]1(O)CC[N@H+](C2CCN(C(=O)c3cnccn3)CC2)CC1(C)C ZINC000091593609 524736057 /nfs/dbraw/zinc/73/60/57/524736057.db2.gz OGTDUYHJUHNXBC-LJQANCHMSA-N 1 1 362.474 1.191 50 0 FDAAMO CN(C)c1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cn1 ZINC000091626265 524746165 /nfs/dbraw/zinc/74/61/65/524746165.db2.gz QXTHUJUETWKGTC-CRAIPNDOSA-N 1 1 366.469 1.674 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cn1 ZINC000091626265 524746174 /nfs/dbraw/zinc/74/61/74/524746174.db2.gz QXTHUJUETWKGTC-CRAIPNDOSA-N 1 1 366.469 1.674 50 0 FDAAMO CN(C)c1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cn1 ZINC000091644349 524751042 /nfs/dbraw/zinc/75/10/42/524751042.db2.gz KAARKZWSAYEEJH-NVXWUHKLSA-N 1 1 366.469 1.674 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cn1 ZINC000091644349 524751053 /nfs/dbraw/zinc/75/10/53/524751053.db2.gz KAARKZWSAYEEJH-NVXWUHKLSA-N 1 1 366.469 1.674 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)C[C@@H]1CO ZINC000091664505 524756264 /nfs/dbraw/zinc/75/62/64/524756264.db2.gz SOIFBNCBDQFFQN-RTBURBONSA-N 1 1 372.465 1.621 50 0 FDAAMO COCCN1CC[C@@]2(CN(C(=O)N3CCCCC3)CC[N@H+]2C)CCC1=O ZINC000091713071 524763818 /nfs/dbraw/zinc/76/38/18/524763818.db2.gz NJLSFRRVJBJRLO-LJQANCHMSA-N 1 1 366.506 1.237 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1CN1CCOCC1 ZINC000091726042 524769973 /nfs/dbraw/zinc/76/99/73/524769973.db2.gz BFZYBUBSJUTPFS-RTBURBONSA-N 1 1 356.470 1.245 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 ZINC000091845805 524797283 /nfs/dbraw/zinc/79/72/83/524797283.db2.gz YWJNHYRIFLSPMS-INIZCTEOSA-N 1 1 363.889 1.895 50 0 FDAAMO c1cn(Cc2nnc(C3CCN(C4CC[NH2+]CC4)CC3)n2C2CC2)cn1 ZINC000091876967 524804747 /nfs/dbraw/zinc/80/47/47/524804747.db2.gz XLAGNHPURGDHED-UHFFFAOYSA-N 1 1 355.490 1.789 50 0 FDAAMO CSCCC[N@H+]1C[C@H](NC(=O)CN2CCCCC2=O)[C@@H](C(C)C)C1 ZINC000091943980 524817322 /nfs/dbraw/zinc/81/73/22/524817322.db2.gz WRZGCTVKFCLAPD-CVEARBPZSA-N 1 1 355.548 1.825 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000092037397 524832549 /nfs/dbraw/zinc/83/25/49/524832549.db2.gz VAYMPHGGGURGTJ-UHFFFAOYSA-N 1 1 369.469 1.888 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(=O)[nH]c1C ZINC000092038783 524833365 /nfs/dbraw/zinc/83/33/65/524833365.db2.gz PDVWHRVBGVCOOK-QGZVFWFLSA-N 1 1 355.438 1.311 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(=O)[nH]c1C ZINC000092038783 524833376 /nfs/dbraw/zinc/83/33/76/524833376.db2.gz PDVWHRVBGVCOOK-QGZVFWFLSA-N 1 1 355.438 1.311 50 0 FDAAMO CC(=O)N1C[C@H](NC(=O)CCC[NH+]2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000092046172 524836614 /nfs/dbraw/zinc/83/66/14/524836614.db2.gz AJVFUEGHXCPQRB-MOPGFXCFSA-N 1 1 359.470 1.230 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)[nH]c3ccc(F)cc31)C2 ZINC000095353374 525027595 /nfs/dbraw/zinc/02/75/95/525027595.db2.gz WPJSMYZJVUJJRB-UKRRQHHQSA-N 1 1 373.428 1.850 50 0 FDAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1nncs1 ZINC000079485655 525029949 /nfs/dbraw/zinc/02/99/49/525029949.db2.gz SUVNJNYRJAJAPB-ZDUSSCGKSA-N 1 1 374.470 1.393 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](C/C=C/c3ccccc3OC)C[C@@H]2C1 ZINC000095359632 525035466 /nfs/dbraw/zinc/03/54/66/525035466.db2.gz NOSJLVCUAIRMLY-NMOZIBFBSA-N 1 1 374.481 1.640 50 0 FDAAMO Cc1nc2ncccn2c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095363808 525038207 /nfs/dbraw/zinc/03/82/07/525038207.db2.gz NDHLEOXLYRHPLU-DOTOQJQBSA-N 1 1 369.469 1.753 50 0 FDAAMO Cc1ccc(CSc2nc(N3C[C@@H](CO)[C@H](CO)C3)cc(N)[nH+]2)cc1 ZINC000095368875 525043557 /nfs/dbraw/zinc/04/35/57/525043557.db2.gz WWNUSZURSHFEDG-GJZGRUSLSA-N 1 1 360.483 1.697 50 0 FDAAMO Cc1ccc(CSc2nc(N)cc(N3C[C@@H](CO)[C@H](CO)C3)[nH+]2)cc1 ZINC000095368875 525043571 /nfs/dbraw/zinc/04/35/71/525043571.db2.gz WWNUSZURSHFEDG-GJZGRUSLSA-N 1 1 360.483 1.697 50 0 FDAAMO OCCC[C@@H]1C[N@@H+](Cc2cccc3nonc32)CC[C@@H]1N1CCOCC1 ZINC000095374176 525048410 /nfs/dbraw/zinc/04/84/10/525048410.db2.gz CWUCGIRTKXTRTE-QAPCUYQASA-N 1 1 360.458 1.518 50 0 FDAAMO CN(Cc1cc(-c2ccccc2)no1)c1nc(N(C)C[C@H](O)CO)cc[nH+]1 ZINC000095378824 525052920 /nfs/dbraw/zinc/05/29/20/525052920.db2.gz JZVRUFCGCLLKAH-HNNXBMFYSA-N 1 1 369.425 1.557 50 0 FDAAMO Nc1ncccc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000095504286 525089117 /nfs/dbraw/zinc/08/91/17/525089117.db2.gz WYEAWFVDVSPHAE-ZDUSSCGKSA-N 1 1 366.512 1.916 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000095504286 525089125 /nfs/dbraw/zinc/08/91/25/525089125.db2.gz WYEAWFVDVSPHAE-ZDUSSCGKSA-N 1 1 366.512 1.916 50 0 FDAAMO CN(C[C@@H](O)CO)c1ccnc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000095511697 525093639 /nfs/dbraw/zinc/09/36/39/525093639.db2.gz GRXFCKKIMIVIEB-QGZVFWFLSA-N 1 1 363.506 1.111 50 0 FDAAMO O=C(c1ccc2c(c1)NC(=O)CN2)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095523510 525101514 /nfs/dbraw/zinc/10/15/14/525101514.db2.gz VIDNAKMGZOVTMX-GDBMZVCRSA-N 1 1 354.454 1.997 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 ZINC000095524217 525101755 /nfs/dbraw/zinc/10/17/55/525101755.db2.gz XILPCSGQFCLVNJ-UHFFFAOYSA-N 1 1 351.410 1.894 50 0 FDAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CC(O)C2)cc1 ZINC000095527660 525104995 /nfs/dbraw/zinc/10/49/95/525104995.db2.gz JZUQFWMWBLWHCD-HXUWFJFHSA-N 1 1 356.466 1.735 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cncn1C)CC2 ZINC000095528386 525105961 /nfs/dbraw/zinc/10/59/61/525105961.db2.gz VWKADUHUUJMFPL-UHFFFAOYSA-N 1 1 356.474 1.789 50 0 FDAAMO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000095994929 525113692 /nfs/dbraw/zinc/11/36/92/525113692.db2.gz LJEMFLSJIDXVJB-STQMWFEESA-N 1 1 370.471 1.876 50 0 FDAAMO Cn1nc(-c2ccccc2)cc1NC(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000096136304 525137283 /nfs/dbraw/zinc/13/72/83/525137283.db2.gz XATUKOHHBXCTTC-OAHLLOKOSA-N 1 1 370.457 1.406 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2cccc(F)c2)C[N@@H+]1C ZINC000096180792 525146009 /nfs/dbraw/zinc/14/60/09/525146009.db2.gz HZTLJJVGUFXLKV-ZBFHGGJFSA-N 1 1 351.422 1.262 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2cccc(F)c2)C[N@H+]1C ZINC000096180792 525146017 /nfs/dbraw/zinc/14/60/17/525146017.db2.gz HZTLJJVGUFXLKV-ZBFHGGJFSA-N 1 1 351.422 1.262 50 0 FDAAMO C[N@H+]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000097617505 525188924 /nfs/dbraw/zinc/18/89/24/525188924.db2.gz HTQQNBBGJRQBAI-UHFFFAOYSA-N 1 1 365.499 1.251 50 0 FDAAMO CCNC(=O)c1cccc(NC(=O)NCC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000097698690 525193350 /nfs/dbraw/zinc/19/33/50/525193350.db2.gz ICOMMAPBSCJUER-OAHLLOKOSA-N 1 1 361.490 1.584 50 0 FDAAMO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)C1(O)CC[NH+](C)CC1 ZINC000097773264 525195016 /nfs/dbraw/zinc/19/50/16/525195016.db2.gz LHDGTNXVIJAGMA-UHFFFAOYSA-N 1 1 368.499 1.074 50 0 FDAAMO O=C(C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCC1 ZINC000100188964 525212456 /nfs/dbraw/zinc/21/24/56/525212456.db2.gz MRMHGBKNHMDREZ-KRWDZBQOSA-N 1 1 373.428 1.792 50 0 FDAAMO O=C(NCc1cn2c(n1)SCC2)[C@H]1[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000102712497 525302754 /nfs/dbraw/zinc/30/27/54/525302754.db2.gz FGJZCAIOEHDWJL-ZSHCYNCHSA-N 1 1 355.467 1.378 50 0 FDAAMO Cc1c2ccccc2sc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091535813 525992292 /nfs/dbraw/zinc/99/22/92/525992292.db2.gz WNQLBBSWBRTCPR-HUUCEWRRSA-N 1 1 362.495 1.814 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](Cc4nccn4C)C3)CCC2=O)cn1 ZINC000091663183 526029555 /nfs/dbraw/zinc/02/95/55/526029555.db2.gz JHFTYEAXCZUQJJ-HXUWFJFHSA-N 1 1 368.485 1.923 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4nccn4C)C3)CCC2=O)cn1 ZINC000091663183 526029563 /nfs/dbraw/zinc/02/95/63/526029563.db2.gz JHFTYEAXCZUQJJ-HXUWFJFHSA-N 1 1 368.485 1.923 50 0 FDAAMO Cc1ccc2nc(SCC(=O)NCc3cc4n(n3)CCC[NH2+]C4)[nH]c2c1 ZINC000082108990 526102404 /nfs/dbraw/zinc/10/24/04/526102404.db2.gz AYOKBNFPZXXLHW-UHFFFAOYSA-N 1 1 370.482 1.970 50 0 FDAAMO O[C@H]1CC[N@H+](Cc2cccc(OCCCCN3CCOCC3)c2)C[C@@H]1O ZINC000216528485 526310053 /nfs/dbraw/zinc/31/00/53/526310053.db2.gz PNNUTOANYQKYHH-PMACEKPBSA-N 1 1 364.486 1.105 50 0 FDAAMO O[C@H]1CC[N@@H+](Cc2cccc(OCCCCN3CCOCC3)c2)C[C@@H]1O ZINC000216528485 526310061 /nfs/dbraw/zinc/31/00/61/526310061.db2.gz PNNUTOANYQKYHH-PMACEKPBSA-N 1 1 364.486 1.105 50 0 FDAAMO Cc1nonc1CC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082146921 526702003 /nfs/dbraw/zinc/70/20/03/526702003.db2.gz ICKZJZUIXKEKLJ-UHFFFAOYSA-N 1 1 358.446 1.582 50 0 FDAAMO NC(=O)C1(C(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)CC1 ZINC000082147410 526847908 /nfs/dbraw/zinc/84/79/08/526847908.db2.gz CSLZHMFXTNPMPP-UHFFFAOYSA-N 1 1 359.474 1.303 50 0 FDAAMO Cc1nc2ccc(CNC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)cc2[nH]1 ZINC000244718815 527137665 /nfs/dbraw/zinc/13/76/65/527137665.db2.gz LRGRAFDVHVRHGH-OKILXGFUSA-N 1 1 353.430 1.835 50 0 FDAAMO O=C(Cc1cccc2ccccc21)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091425877 527273959 /nfs/dbraw/zinc/27/39/59/527273959.db2.gz VFSWTZYQKIHEFD-WOJBJXKFSA-N 1 1 368.477 1.781 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000091645736 527393093 /nfs/dbraw/zinc/39/30/93/527393093.db2.gz NMNRRGUQUGUAKQ-FUHWJXTLSA-N 1 1 367.453 1.626 50 0 FDAAMO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238007403 527609424 /nfs/dbraw/zinc/60/94/24/527609424.db2.gz SBVCEHBYPDXHIO-NVXWUHKLSA-N 1 1 351.878 1.391 50 0 FDAAMO OCc1cn(CC2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020119586 527640114 /nfs/dbraw/zinc/64/01/14/527640114.db2.gz LZFKVNXFNRRDQM-HXUWFJFHSA-N 1 1 355.486 1.757 50 0 FDAAMO OCc1cn(CC2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020119586 527640117 /nfs/dbraw/zinc/64/01/17/527640117.db2.gz LZFKVNXFNRRDQM-HXUWFJFHSA-N 1 1 355.486 1.757 50 0 FDAAMO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(c3ncnc4c3CCC4)C2)CC1 ZINC000072148577 535778623 /nfs/dbraw/zinc/77/86/23/535778623.db2.gz LKOFBQBBXAKCPX-OAHLLOKOSA-N 1 1 359.474 1.708 50 0 FDAAMO CCn1ccnc1[C@@H]1CCCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)C1 ZINC000091440301 536118771 /nfs/dbraw/zinc/11/87/71/536118771.db2.gz MRJXJBTWAZTJHY-OAHLLOKOSA-N 1 1 370.505 1.411 50 0 FDAAMO COC(=O)c1cn(-c2cccc(C[NH+]3CCOCC3)c2)cc2c(=O)[nH]nc1-2 ZINC000252499005 537250259 /nfs/dbraw/zinc/25/02/59/537250259.db2.gz RTLAIGYKGXSHJH-UHFFFAOYSA-N 1 1 368.393 1.284 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000257190852 537252735 /nfs/dbraw/zinc/25/27/35/537252735.db2.gz NZJIGLDTRSQOJD-GOEBONIOSA-N 1 1 355.394 1.033 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000257190852 537252736 /nfs/dbraw/zinc/25/27/36/537252736.db2.gz NZJIGLDTRSQOJD-GOEBONIOSA-N 1 1 355.394 1.033 50 0 FDAAMO CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000221924348 537503184 /nfs/dbraw/zinc/50/31/84/537503184.db2.gz WGDWOOCHMHXBGB-ZIAGYGMSSA-N 1 1 356.536 1.944 50 0 FDAAMO COc1ccc2nc(CCNc3cc(C4CC([NH3+])C4)nc(N)n3)[nH]c2c1 ZINC000223328927 537523524 /nfs/dbraw/zinc/52/35/24/537523524.db2.gz BEKYJTSVBGTJSD-UHFFFAOYSA-N 1 1 353.430 1.803 50 0 FDAAMO C[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000229712591 537574676 /nfs/dbraw/zinc/57/46/76/537574676.db2.gz QHRUMXOEIMZRML-IKGGRYGDSA-N 1 1 358.486 1.667 50 0 FDAAMO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000229713653 537575298 /nfs/dbraw/zinc/57/52/98/537575298.db2.gz LJTMVWYNVQPWJN-KGLIPLIRSA-N 1 1 371.528 1.196 50 0 FDAAMO Cc1cccc2oc(CNC(=O)CC[N@@H+](C)[C@H]3CCS(=O)(=O)C3)nc21 ZINC000230474443 537580400 /nfs/dbraw/zinc/58/04/00/537580400.db2.gz NIXVERJFGSDZRA-ZDUSSCGKSA-N 1 1 365.455 1.261 50 0 FDAAMO Cc1cccc2oc(CNC(=O)CC[N@H+](C)[C@H]3CCS(=O)(=O)C3)nc21 ZINC000230474443 537580409 /nfs/dbraw/zinc/58/04/09/537580409.db2.gz NIXVERJFGSDZRA-ZDUSSCGKSA-N 1 1 365.455 1.261 50 0 FDAAMO O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000239403176 537644812 /nfs/dbraw/zinc/64/48/12/537644812.db2.gz ROUPVEVEXKIBOB-QRVBRYPASA-N 1 1 370.497 1.120 50 0 FDAAMO O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000241965744 537646462 /nfs/dbraw/zinc/64/64/62/537646462.db2.gz UVGYGXNBLDJCBR-OALUTQOASA-N 1 1 357.498 1.803 50 0 FDAAMO CCc1[nH+]ccn1CC1(CNC(=O)c2nnc3nc(C)cc(C)n32)CC1 ZINC000240936899 537646784 /nfs/dbraw/zinc/64/67/84/537646784.db2.gz SFPBSNWJJHNYHO-UHFFFAOYSA-N 1 1 353.430 1.710 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cc1 ZINC000244594111 537647982 /nfs/dbraw/zinc/64/79/82/537647982.db2.gz DGMBMGLAKXBAKU-HQRMLTQVSA-N 1 1 356.470 1.789 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cc1 ZINC000244594111 537647985 /nfs/dbraw/zinc/64/79/85/537647985.db2.gz DGMBMGLAKXBAKU-HQRMLTQVSA-N 1 1 356.470 1.789 50 0 FDAAMO CN(CC1(CO)CCOCC1)C(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000244633740 537649176 /nfs/dbraw/zinc/64/91/76/537649176.db2.gz GIVILWSEYQASTN-KRWDZBQOSA-N 1 1 364.442 1.266 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)NCCN2CCCCC2=O)CC1 ZINC000426674317 538122336 /nfs/dbraw/zinc/12/23/36/538122336.db2.gz TZUZAAJMEINJJV-UHFFFAOYSA-N 1 1 358.486 1.835 50 0 FDAAMO NC(=O)C1CC[NH+](C2CN(C(=O)c3cc(-c4ccccc4)on3)C2)CC1 ZINC000575604727 550466263 /nfs/dbraw/zinc/46/62/63/550466263.db2.gz ABGJQDDPBVCHGN-UHFFFAOYSA-N 1 1 354.410 1.363 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N(C)CCc1nc2c(cccc2C)[nH]1 ZINC000584888390 551564934 /nfs/dbraw/zinc/56/49/34/551564934.db2.gz HAIRMAGTFFZRNK-HOTGVXAUSA-N 1 1 359.474 1.774 50 0 FDAAMO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 ZINC000584888390 551564936 /nfs/dbraw/zinc/56/49/36/551564936.db2.gz HAIRMAGTFFZRNK-HOTGVXAUSA-N 1 1 359.474 1.774 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N(C)CCc1nc2cccc(C)c2[nH]1 ZINC000584888390 551564939 /nfs/dbraw/zinc/56/49/39/551564939.db2.gz HAIRMAGTFFZRNK-HOTGVXAUSA-N 1 1 359.474 1.774 50 0 FDAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)NCCSC)cc2)CC1 ZINC000608790583 554320357 /nfs/dbraw/zinc/32/03/57/554320357.db2.gz IDNBPHKWJWLDBR-UHFFFAOYSA-N 1 1 350.532 1.986 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2cnc3ccccn23)C[C@H]1CCO ZINC000426521149 570614274 /nfs/dbraw/zinc/61/42/74/570614274.db2.gz DKAWRNHOJLYQSL-MRXNPFEDSA-N 1 1 359.474 1.569 50 0 FDAAMO COCCn1cncc1C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000243914706 571112665 /nfs/dbraw/zinc/11/26/65/571112665.db2.gz BJUQVBAEIRRSJD-UHFFFAOYSA-N 1 1 352.442 1.846 50 0 FDAAMO COCCn1cncc1C[N@@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000243914706 571112667 /nfs/dbraw/zinc/11/26/67/571112667.db2.gz BJUQVBAEIRRSJD-UHFFFAOYSA-N 1 1 352.442 1.846 50 0 FDAAMO O=C(CCN1CCC([NH+]2CCOCC2)CC1)Nc1nnc(C2CC2)s1 ZINC000244787814 571116692 /nfs/dbraw/zinc/11/66/92/571116692.db2.gz QEDCSGIUCNHFSR-UHFFFAOYSA-N 1 1 365.503 1.541 50 0 FDAAMO COc1ccc(OCCC[N@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000244874479 571118368 /nfs/dbraw/zinc/11/83/68/571118368.db2.gz XBZKGPBHOYAYJO-OALUTQOASA-N 1 1 350.459 1.232 50 0 FDAAMO COc1ccc(OCCCN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000244874479 571118371 /nfs/dbraw/zinc/11/83/71/571118371.db2.gz XBZKGPBHOYAYJO-OALUTQOASA-N 1 1 350.459 1.232 50 0 FDAAMO COc1ccc(OCCCN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000244874479 571118373 /nfs/dbraw/zinc/11/83/73/571118373.db2.gz XBZKGPBHOYAYJO-OALUTQOASA-N 1 1 350.459 1.232 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1[nH]nc2ccccc21 ZINC000244882766 571119106 /nfs/dbraw/zinc/11/91/06/571119106.db2.gz XYPRFHFJMUCJNB-IAGOWNOFSA-N 1 1 351.410 1.323 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1[nH]nc2ccccc21 ZINC000244882766 571119109 /nfs/dbraw/zinc/11/91/09/571119109.db2.gz XYPRFHFJMUCJNB-IAGOWNOFSA-N 1 1 351.410 1.323 50 0 FDAAMO COC(=O)C1CC[NH+](Cc2cccc(C(=O)Nc3nccn3C)c2)CC1 ZINC000067856333 571130813 /nfs/dbraw/zinc/13/08/13/571130813.db2.gz WMUYCXAVHGCAGV-UHFFFAOYSA-N 1 1 356.426 2.057 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)NC2(c3nnc(N)s3)CCCCC2)C1 ZINC000252482266 571131770 /nfs/dbraw/zinc/13/17/70/571131770.db2.gz DBWWSLPNKSCPBI-LBPRGKRZSA-N 1 1 353.492 1.364 50 0 FDAAMO OC1CN(c2nc(NCCc3cccc(F)c3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426634347 571132833 /nfs/dbraw/zinc/13/28/33/571132833.db2.gz UUBCBCWDFBKDPQ-AWEZNQCLSA-N 1 1 358.417 1.955 50 0 FDAAMO Cc1cc(=O)n(CC[NH+]2CCN(c3nc4ccccc4s3)CC2)c(=O)[nH]1 ZINC000253537293 571138216 /nfs/dbraw/zinc/13/82/16/571138216.db2.gz KPDMTQCPHWBRRN-UHFFFAOYSA-N 1 1 371.466 1.689 50 0 FDAAMO CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000299757514 571192458 /nfs/dbraw/zinc/19/24/58/571192458.db2.gz IOXANRPFOWWUNK-HOTGVXAUSA-N 1 1 367.877 1.171 50 0 FDAAMO CCn1nc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c2ccccc21 ZINC000299758439 571192818 /nfs/dbraw/zinc/19/28/18/571192818.db2.gz KXOQSADGBHTFBU-KRWDZBQOSA-N 1 1 357.458 1.271 50 0 FDAAMO CCn1nc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c2ccccc21 ZINC000299758439 571192821 /nfs/dbraw/zinc/19/28/21/571192821.db2.gz KXOQSADGBHTFBU-KRWDZBQOSA-N 1 1 357.458 1.271 50 0 FDAAMO COCCN1C[C@H](C[NH+]2CCN(C(=O)c3cccs3)CC2)CC1=O ZINC000299766561 571194898 /nfs/dbraw/zinc/19/48/98/571194898.db2.gz FOPVCAQFZVWYNF-AWEZNQCLSA-N 1 1 351.472 1.001 50 0 FDAAMO CS(=O)(=O)NC1CC[NH+](Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 ZINC000299771399 571195902 /nfs/dbraw/zinc/19/59/02/571195902.db2.gz ZHNSXEQTCUORSZ-UHFFFAOYSA-N 1 1 353.419 1.593 50 0 FDAAMO OC1CN(c2nc(NCCCc3cccnc3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299795336 571201929 /nfs/dbraw/zinc/20/19/29/571201929.db2.gz MBCCRKGTMJKQBM-HNNXBMFYSA-N 1 1 355.442 1.601 50 0 FDAAMO O=C(NCCCc1ccccn1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000299795904 571202273 /nfs/dbraw/zinc/20/22/73/571202273.db2.gz MAKGVDFSVOJBLG-QGZVFWFLSA-N 1 1 365.499 1.030 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)NC[C@@]3(C)CC[N@H+](C)C3)CC2=O)cc1 ZINC000426371973 571216435 /nfs/dbraw/zinc/21/64/35/571216435.db2.gz GWSDKMJDDJSKGH-HXUWFJFHSA-N 1 1 358.486 1.691 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC000426388001 571218637 /nfs/dbraw/zinc/21/86/37/571218637.db2.gz SDLSEMUSCOKTQO-IAGOWNOFSA-N 1 1 361.446 1.020 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCCn2cccn2)[C@H](O)C1 ZINC000426388001 571218639 /nfs/dbraw/zinc/21/86/39/571218639.db2.gz SDLSEMUSCOKTQO-IAGOWNOFSA-N 1 1 361.446 1.020 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CCN([C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426396635 571219615 /nfs/dbraw/zinc/21/96/15/571219615.db2.gz PMWUXBLELQKVGV-IBGZPJMESA-N 1 1 353.470 1.609 50 0 FDAAMO OCCNc1nc(NCc2cc3ccccc3[nH]2)cc([C@H]2CCOC2)[nH+]1 ZINC000426409295 571221330 /nfs/dbraw/zinc/22/13/30/571221330.db2.gz JQHTZYRQBFAUEY-AWEZNQCLSA-N 1 1 353.426 1.322 50 0 FDAAMO COc1ccccc1OC1CN(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)C1 ZINC000426432071 571224740 /nfs/dbraw/zinc/22/47/40/571224740.db2.gz VLTBTWQMWIHRLH-OAHLLOKOSA-N 1 1 363.458 1.315 50 0 FDAAMO Cc1nc(CSc2nnc(C3CC[NH2+]CC3)n2C[C@@H]2CCCO2)n[nH]1 ZINC000426544440 571230979 /nfs/dbraw/zinc/23/09/79/571230979.db2.gz QKFVIUPCWJEWPV-ZDUSSCGKSA-N 1 1 363.491 1.643 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426594836 571232620 /nfs/dbraw/zinc/23/26/20/571232620.db2.gz LEOYROAKNXAWFK-SFHVURJKSA-N 1 1 354.454 1.723 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426594836 571232622 /nfs/dbraw/zinc/23/26/22/571232622.db2.gz LEOYROAKNXAWFK-SFHVURJKSA-N 1 1 354.454 1.723 50 0 FDAAMO CCC(=O)NCc1cc2n(n1)CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426690496 571235346 /nfs/dbraw/zinc/23/53/46/571235346.db2.gz AWIKZIOCLXTOAW-LJQANCHMSA-N 1 1 367.497 1.999 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(-c3ccon3)s2)C1 ZINC000670456744 571354726 /nfs/dbraw/zinc/35/47/26/571354726.db2.gz SILABJLFAABADK-GFCCVEGCSA-N 1 1 371.484 1.650 50 0 FDAAMO CCC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCS(C)(=O)=O ZINC000091908160 671513840 /nfs/dbraw/zinc/51/38/40/671513840.db2.gz IAFSDZVJGZFXHN-IRXDYDNUSA-N 1 1 352.500 1.838 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCS(C)(=O)=O ZINC000091908160 671513842 /nfs/dbraw/zinc/51/38/42/671513842.db2.gz IAFSDZVJGZFXHN-IRXDYDNUSA-N 1 1 352.500 1.838 50 0 FDAAMO Cc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c2cnn(C)c2n1 ZINC000175983000 775551271 /nfs/dbraw/zinc/55/12/71/775551271.db2.gz SRLIFNTYRITBPB-INIZCTEOSA-N 1 1 370.501 1.519 50 0 FDAAMO COc1ccccc1N1CCN([C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2O)CC1 ZINC000020601124 792512550 /nfs/dbraw/zinc/51/25/50/792512550.db2.gz KTHPXOCSGWUBNU-OALUTQOASA-N 1 1 357.454 1.656 50 0 FDAAMO CCc1[nH+]ccn1Cc1cc(CN2CCn3c(=O)[nH]nc3C2)ccc1OC ZINC000257182743 793928663 /nfs/dbraw/zinc/92/86/63/793928663.db2.gz GVCABTKUPWJISR-UHFFFAOYSA-N 1 1 368.441 1.403 50 0 FDAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)Cc3cn4ccsc4n3)CC2)cn1 ZINC000109661220 833011369 /nfs/dbraw/zinc/01/13/69/833011369.db2.gz PHTJZSXPFKKUMM-UHFFFAOYSA-N 1 1 372.498 1.889 50 0 FDAAMO CCn1cc(C[N@H+]2CCCN(C(=O)Cc3cn4ccsc4n3)CC2)cn1 ZINC000109661220 833011383 /nfs/dbraw/zinc/01/13/83/833011383.db2.gz PHTJZSXPFKKUMM-UHFFFAOYSA-N 1 1 372.498 1.889 50 0 FDAAMO CCN1C[C@]2(CCCN(C(=O)CC[N@H+]3CCCN(C)CC3)C2)CCC1=O ZINC000082109075 847985717 /nfs/dbraw/zinc/98/57/17/847985717.db2.gz NPPARKOGIMAHBC-FQEVSTJZSA-N 1 1 364.534 1.265 50 0 FDAAMO CCN1C[C@]2(CCCN(C(=O)CCN3CCC[N@H+](C)CC3)C2)CCC1=O ZINC000082109075 847985722 /nfs/dbraw/zinc/98/57/22/847985722.db2.gz NPPARKOGIMAHBC-FQEVSTJZSA-N 1 1 364.534 1.265 50 0 FDAAMO CCN1C[C@]2(CCCN(C(=O)CCN3CCC[N@@H+](C)CC3)C2)CCC1=O ZINC000082109075 847985725 /nfs/dbraw/zinc/98/57/25/847985725.db2.gz NPPARKOGIMAHBC-FQEVSTJZSA-N 1 1 364.534 1.265 50 0 FDAAMO COc1ccc(C2(C(=O)NCc3nn(C)c4c3C[N@H+](C)CC4)CC2)cc1 ZINC000257175354 864389748 /nfs/dbraw/zinc/38/97/48/864389748.db2.gz OSMCOZDMPCPUJH-UHFFFAOYSA-N 1 1 354.454 1.765 50 0 FDAAMO COc1ccc(C2(C(=O)NCc3nn(C)c4c3C[N@@H+](C)CC4)CC2)cc1 ZINC000257175354 864389766 /nfs/dbraw/zinc/38/97/66/864389766.db2.gz OSMCOZDMPCPUJH-UHFFFAOYSA-N 1 1 354.454 1.765 50 0 FDAAMO Cc1ccn2cc(C(=O)N[C@@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000011936669 872636410 /nfs/dbraw/zinc/63/64/10/872636410.db2.gz WSCZLADHSPZKCM-MRXNPFEDSA-N 1 1 355.486 1.931 50 0 FDAAMO Cc1ccn2cc(C(=O)N[C@@H]3CCC[N@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000011936669 872636416 /nfs/dbraw/zinc/63/64/16/872636416.db2.gz WSCZLADHSPZKCM-MRXNPFEDSA-N 1 1 355.486 1.931 50 0 FDAAMO C[N@H+](Cc1ccno1)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000012054202 873540793 /nfs/dbraw/zinc/54/07/93/873540793.db2.gz YMTHZXOEXYNZKX-KRWDZBQOSA-N 1 1 361.442 1.379 50 0 FDAAMO C[N@@H+](Cc1ccno1)Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000012054202 873540802 /nfs/dbraw/zinc/54/08/02/873540802.db2.gz YMTHZXOEXYNZKX-KRWDZBQOSA-N 1 1 361.442 1.379 50 0 FDAAMO CCSC[C@@H](C)[N@H+]1CCOC2(CCN(C(=O)CCNC(C)=O)CC2)C1 ZINC000823421474 921849443 /nfs/dbraw/zinc/84/94/43/921849443.db2.gz QLMBJEREBNJEHM-OAHLLOKOSA-N 1 1 371.547 1.348 50 0 FDAAMO O=C(Cn1cccn1)N1CCC2(CC1)C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000827921303 924776141 /nfs/dbraw/zinc/77/61/41/924776141.db2.gz MWDUOXWWKUONPP-GOSISDBHSA-N 1 1 358.486 1.933 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(Cn2cnnn2)cc1 ZINC000828157767 924836762 /nfs/dbraw/zinc/83/67/62/924836762.db2.gz LPLGXTJXPKRROJ-UHFFFAOYSA-N 1 1 353.430 1.861 50 0 FDAAMO CC[N@@H+](C1CN(S(=O)(=O)Cc2ccccc2F)C1)C1CCOCC1 ZINC000581794873 927594887 /nfs/dbraw/zinc/59/48/87/927594887.db2.gz WEJMXRNOTXUEGI-UHFFFAOYSA-N 1 1 356.463 1.841 50 0 FDAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000581806545 927602829 /nfs/dbraw/zinc/60/28/29/927602829.db2.gz SLHHSATWMXGZNZ-AWEZNQCLSA-N 1 1 351.476 1.588 50 0 FDAAMO CCn1cc(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c(C)n1 ZINC000952987822 960311756 /nfs/dbraw/zinc/31/17/56/960311756.db2.gz JRPPOOVHMYWNMZ-QGZVFWFLSA-N 1 1 362.499 1.889 50 0 FDAAMO CCn1cc(S(=O)(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c(C)n1 ZINC000952987822 960311764 /nfs/dbraw/zinc/31/17/64/960311764.db2.gz JRPPOOVHMYWNMZ-QGZVFWFLSA-N 1 1 362.499 1.889 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N3CCc4[nH]c(C)nc4C3)cc2C1 ZINC000534651690 540394551 /nfs/dbraw/zinc/39/45/51/540394551.db2.gz YOWNCGLUUTWMIF-UHFFFAOYSA-N 1 1 371.489 1.798 50 0 FDAAMO CCCC[N@@H+]1CCn2nc(CNC(=O)N3CCc4nc(C)[nH]c4C3)cc2C1 ZINC000534651690 540394552 /nfs/dbraw/zinc/39/45/52/540394552.db2.gz YOWNCGLUUTWMIF-UHFFFAOYSA-N 1 1 371.489 1.798 50 0 FDAAMO Cc1cc(C)n(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000534655953 540395275 /nfs/dbraw/zinc/39/52/75/540395275.db2.gz COKRKAAZHXBLRM-QGZVFWFLSA-N 1 1 355.442 1.036 50 0 FDAAMO Cc1cc(C)n(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000534655953 540395278 /nfs/dbraw/zinc/39/52/78/540395278.db2.gz COKRKAAZHXBLRM-QGZVFWFLSA-N 1 1 355.442 1.036 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000299798508 223102893 /nfs/dbraw/zinc/10/28/93/223102893.db2.gz SDOJKCSCTLNTEK-KRWDZBQOSA-N 1 1 354.454 1.905 50 0 FDAAMO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010339389 204393750 /nfs/dbraw/zinc/39/37/50/204393750.db2.gz NSIRBCRSOZSYDT-JKSUJKDBSA-N 1 1 359.426 1.887 50 0 FDAAMO C[N@H+]1CCCN(C(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000075163726 205035580 /nfs/dbraw/zinc/03/55/80/205035580.db2.gz JNFQRZPLWZXWCQ-UHFFFAOYSA-N 1 1 354.336 1.459 50 0 FDAAMO Cn1cc(CC(=O)N2CC[NH+](CCn3ccnc3)CC2)c2ccccc21 ZINC000075157997 205036013 /nfs/dbraw/zinc/03/60/13/205036013.db2.gz HLBRVOCTYHVCHG-UHFFFAOYSA-N 1 1 351.454 1.762 50 0 FDAAMO Cc1nnnn1-c1ccccc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189905 205056891 /nfs/dbraw/zinc/05/68/91/205056891.db2.gz XIRDVPDXONHLNZ-DOTOQJQBSA-N 1 1 354.458 1.965 50 0 biogenic FDAAMO CC[C@@](C)(CNC(=O)Nc1cccc(-c2nnnn2C)c1)[NH+]1CCOCC1 ZINC000043935052 205105126 /nfs/dbraw/zinc/10/51/26/205105126.db2.gz WEVOOHRNFMXIFK-SFHVURJKSA-N 1 1 373.461 1.500 50 0 FDAAMO O=C(CCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1)NC1CCCC1 ZINC000055414449 205219427 /nfs/dbraw/zinc/21/94/27/205219427.db2.gz HGPSCRUEVOYGOS-UHFFFAOYSA-N 1 1 358.486 1.955 50 0 FDAAMO O=C(CCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1)NC1CCCC1 ZINC000055414449 205219431 /nfs/dbraw/zinc/21/94/31/205219431.db2.gz HGPSCRUEVOYGOS-UHFFFAOYSA-N 1 1 358.486 1.955 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000058166709 205252723 /nfs/dbraw/zinc/25/27/23/205252723.db2.gz CONUNKZLGXBXNH-INIZCTEOSA-N 1 1 354.472 1.571 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000058166709 205252728 /nfs/dbraw/zinc/25/27/28/205252728.db2.gz CONUNKZLGXBXNH-INIZCTEOSA-N 1 1 354.472 1.571 50 0 FDAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775960 205305008 /nfs/dbraw/zinc/30/50/08/205305008.db2.gz BOCPZUJCZAOSJL-ZDUSSCGKSA-N 1 1 353.426 1.223 50 0 FDAAMO Cn1c(C(=O)N2CCN(C)CC2)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065210805 205323849 /nfs/dbraw/zinc/32/38/49/205323849.db2.gz PGQPTFGFZSJJIS-UHFFFAOYSA-N 1 1 352.482 1.971 50 0 FDAAMO Cn1c(C(=O)N2CCN(C)CC2)cc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000065210805 205323854 /nfs/dbraw/zinc/32/38/54/205323854.db2.gz PGQPTFGFZSJJIS-UHFFFAOYSA-N 1 1 352.482 1.971 50 0 FDAAMO CCn1ncc(C)c1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000065386551 205343828 /nfs/dbraw/zinc/34/38/28/205343828.db2.gz WTQLKNUBANJLMV-MRXNPFEDSA-N 1 1 355.442 1.913 50 0 FDAAMO CCn1ncc(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000065386551 205343832 /nfs/dbraw/zinc/34/38/32/205343832.db2.gz WTQLKNUBANJLMV-MRXNPFEDSA-N 1 1 355.442 1.913 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000067629839 205378984 /nfs/dbraw/zinc/37/89/84/205378984.db2.gz QRVOJXGEAFUCPS-OAHLLOKOSA-N 1 1 371.478 1.534 50 0 FDAAMO CC(C)c1cc(C2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)[nH]n1 ZINC000067689171 205383803 /nfs/dbraw/zinc/38/38/03/205383803.db2.gz SKNUQOPFSVLPCZ-OAHLLOKOSA-N 1 1 361.490 1.436 50 0 FDAAMO Cc1ccc2[nH]c(=O)c(C[N@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)cc2c1 ZINC000067696968 205386197 /nfs/dbraw/zinc/38/61/97/205386197.db2.gz DTYFMHFFESKRLZ-OALUTQOASA-N 1 1 357.454 1.104 50 0 FDAAMO Cc1ccc2[nH]c(=O)c(CN3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)cc2c1 ZINC000067696968 205386201 /nfs/dbraw/zinc/38/62/01/205386201.db2.gz DTYFMHFFESKRLZ-OALUTQOASA-N 1 1 357.454 1.104 50 0 FDAAMO Cc1ccc2[nH]c(=O)c(CN3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)cc2c1 ZINC000067696968 205386205 /nfs/dbraw/zinc/38/62/05/205386205.db2.gz DTYFMHFFESKRLZ-OALUTQOASA-N 1 1 357.454 1.104 50 0 FDAAMO O=C(c1cc(COc2ccccc2F)n[nH]1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000067773543 205389955 /nfs/dbraw/zinc/38/99/55/205389955.db2.gz AXDJRWMJBJRFKB-IRXDYDNUSA-N 1 1 374.416 1.409 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107399334 206019285 /nfs/dbraw/zinc/01/92/85/206019285.db2.gz CTILJDRDYBKTSD-QGZVFWFLSA-N 1 1 369.462 1.109 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107399334 206019291 /nfs/dbraw/zinc/01/92/91/206019291.db2.gz CTILJDRDYBKTSD-QGZVFWFLSA-N 1 1 369.462 1.109 50 0 FDAAMO c1ncn2c1CN(Cc1cc3n(n1)CCC[N@H+](C[C@H]1CCOC1)C3)CCC2 ZINC000106956454 206243976 /nfs/dbraw/zinc/24/39/76/206243976.db2.gz CJRKXDVIEUIWHZ-QGZVFWFLSA-N 1 1 370.501 1.728 50 0 FDAAMO Cc1cc2c(cc1CN1CC[N@@H+](C)[C@]3(C1)CCC(=O)N(C)CC3)OCO2 ZINC000107658157 206245549 /nfs/dbraw/zinc/24/55/49/206245549.db2.gz MUMTXFXXUAIPSZ-HXUWFJFHSA-N 1 1 359.470 1.852 50 0 FDAAMO COCCC[NH+]1CCN(C(=O)c2nc3ccc(Cl)cn3c2F)CC1 ZINC000215807083 206352232 /nfs/dbraw/zinc/35/22/32/206352232.db2.gz RNUCAKKXHZIPNS-UHFFFAOYSA-N 1 1 354.813 1.921 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000216068637 206353090 /nfs/dbraw/zinc/35/30/90/206353090.db2.gz MSLXMTVHOZDWOP-OAHLLOKOSA-N 1 1 365.441 1.539 50 0 FDAAMO Cn1c(=O)cc(C(=O)NC2(C[NH+]3CCOCC3)CCCC2)c2ccccc21 ZINC000215954618 206354044 /nfs/dbraw/zinc/35/40/44/206354044.db2.gz TXRRECMKTSVDSZ-UHFFFAOYSA-N 1 1 369.465 1.913 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC000216520957 206359274 /nfs/dbraw/zinc/35/92/74/206359274.db2.gz ZKAPBJGQKNQAPN-UHFFFAOYSA-N 1 1 352.870 1.636 50 0 FDAAMO COc1ccc(OC2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000299798727 532996530 /nfs/dbraw/zinc/99/65/30/532996530.db2.gz VPFHUZZCMOQKHR-UHFFFAOYSA-N 1 1 361.486 1.703 50 0 FDAAMO CCc1cc(NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)nc(C)[nH+]1 ZINC000077565902 132189329 /nfs/dbraw/zinc/18/93/29/132189329.db2.gz GIMSGINVZWHZKY-INIZCTEOSA-N 1 1 358.446 1.149 50 0 FDAAMO CN1CC2(CCC1=O)CCN(c1nc(N3CCC[C@H](O)C3)cc[nH+]1)CC2 ZINC000091713432 132203319 /nfs/dbraw/zinc/20/33/19/132203319.db2.gz LPTZTZSPVBTXBE-HNNXBMFYSA-N 1 1 359.474 1.277 50 0 FDAAMO Cn1c(CN2CCCCCC2)nnc1C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000091769635 132203590 /nfs/dbraw/zinc/20/35/90/132203590.db2.gz CBJLUAMCCJDPNN-UHFFFAOYSA-N 1 1 370.505 1.947 50 0 FDAAMO O=C(CC[C@@H]1CCC[N@H+](CCCO)C1)N1CCN(c2ccccn2)CC1 ZINC000095501943 132212455 /nfs/dbraw/zinc/21/24/55/132212455.db2.gz VNAXGJZZBPZWKH-SFHVURJKSA-N 1 1 360.502 1.605 50 0 FDAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000252551915 132293309 /nfs/dbraw/zinc/29/33/09/132293309.db2.gz ULHDWCGRINKQLP-IAGOWNOFSA-N 1 1 373.501 1.779 50 0 FDAAMO CCC(=O)NCc1cc2n(n1)CCN(c1nc(NC)c3c([nH+]1)CCC3)C2 ZINC000299764482 132298416 /nfs/dbraw/zinc/29/84/16/132298416.db2.gz HJMIUHIQRCVZNK-UHFFFAOYSA-N 1 1 355.446 1.250 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000245255267 132376597 /nfs/dbraw/zinc/37/65/97/132376597.db2.gz GSHGTAXGZYYHEC-KBPBESRZSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000245255267 132376598 /nfs/dbraw/zinc/37/65/98/132376598.db2.gz GSHGTAXGZYYHEC-KBPBESRZSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000245255267 132376599 /nfs/dbraw/zinc/37/65/99/132376599.db2.gz GSHGTAXGZYYHEC-KBPBESRZSA-N 1 1 357.462 1.170 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000027614796 132917054 /nfs/dbraw/zinc/91/70/54/132917054.db2.gz WFHDGHUGPVJKFM-UHFFFAOYSA-N 1 1 373.476 1.657 50 0 FDAAMO CCC(CC)C(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)ncn2)CC1 ZINC000072446765 136148188 /nfs/dbraw/zinc/14/81/88/136148188.db2.gz BRYWEMLVDJFDIC-UHFFFAOYSA-N 1 1 360.506 1.313 50 0 FDAAMO CCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247296771 258398445 /nfs/dbraw/zinc/39/84/45/258398445.db2.gz LDEFACIDGNHNHM-PBHICJAKSA-N 1 1 367.515 1.584 50 0 FDAAMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000375293581 261307084 /nfs/dbraw/zinc/30/70/84/261307084.db2.gz SVIQSLVZALXRRF-SFHVURJKSA-N 1 1 368.499 1.818 50 0 FDAAMO COc1ccc(C(=O)N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000426358816 263564069 /nfs/dbraw/zinc/56/40/69/263564069.db2.gz AXRDQUFRQUMEAD-HNNXBMFYSA-N 1 1 360.458 1.114 50 0 FDAAMO C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H](C)[NH2+]1 ZINC000070076842 522005845 /nfs/dbraw/zinc/00/58/45/522005845.db2.gz IIBLPZYDXJDQQT-IUCAKERBSA-N 1 1 351.241 1.959 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000013010859 518648670 /nfs/dbraw/zinc/64/86/70/518648670.db2.gz OGPMZNDDGMJXPK-CQSZACIVSA-N 1 1 363.433 1.724 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000013693054 518666237 /nfs/dbraw/zinc/66/62/37/518666237.db2.gz HCWMDKZNQGRFIV-AWEZNQCLSA-N 1 1 370.453 1.322 50 0 FDAAMO O=C(Cc1cnc2ncnn2c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014966060 518703481 /nfs/dbraw/zinc/70/34/81/518703481.db2.gz SXNJCMLOWWRTCE-MRXNPFEDSA-N 1 1 368.416 1.587 50 0 FDAAMO O=C(Cc1cnc2ncnn2c1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014966060 518703489 /nfs/dbraw/zinc/70/34/89/518703489.db2.gz SXNJCMLOWWRTCE-MRXNPFEDSA-N 1 1 368.416 1.587 50 0 FDAAMO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2nncn2n1 ZINC000016623421 518765429 /nfs/dbraw/zinc/76/54/29/518765429.db2.gz KUULAMPJKMDEOA-UHFFFAOYSA-N 1 1 352.398 1.484 50 0 FDAAMO COc1ccc(NC2=[NH+][C@]3(NC(=N)N2)c2ccccc2N(C)C3=O)cc1 ZINC000019325368 518808344 /nfs/dbraw/zinc/80/83/44/518808344.db2.gz XBJPVDGPMRUQQP-GOSISDBHSA-N 1 1 350.382 1.210 50 0 FDAAMO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc(Br)cc1 ZINC000019335437 518808358 /nfs/dbraw/zinc/80/83/58/518808358.db2.gz NPEUPFYRUHTWGD-UHFFFAOYSA-N 1 1 356.264 1.388 50 0 FDAAMO COC(=O)c1cc(C)sc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000020344888 518849203 /nfs/dbraw/zinc/84/92/03/518849203.db2.gz AZVAONHLXWZGMP-UHFFFAOYSA-N 1 1 357.501 1.852 50 0 FDAAMO C[NH+]1CCN(Cc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)CC1 ZINC000020533161 518851981 /nfs/dbraw/zinc/85/19/81/518851981.db2.gz FIJIFIKXLNRLDZ-UHFFFAOYSA-N 1 1 372.498 1.938 50 0 FDAAMO C[NH+]1CCN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000020567995 518852748 /nfs/dbraw/zinc/85/27/48/518852748.db2.gz QEWSDNZMKQQYEC-UHFFFAOYSA-N 1 1 373.906 1.660 50 0 FDAAMO C[NH+]1CCC(N2CCN(Cc3cccc4nonc43)C[C@@H]2CCO)CC1 ZINC000020782008 518857330 /nfs/dbraw/zinc/85/73/30/518857330.db2.gz ZRGHQSSSVFUGCU-KRWDZBQOSA-N 1 1 359.474 1.186 50 0 FDAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)ncc3C2)c(OC)c1 ZINC000021039151 518862986 /nfs/dbraw/zinc/86/29/86/518862986.db2.gz QCIHFAHLHVHJJN-UHFFFAOYSA-N 1 1 370.453 1.889 50 0 FDAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)ncc3C2)c(OC)c1 ZINC000021039151 518862991 /nfs/dbraw/zinc/86/29/91/518862991.db2.gz QCIHFAHLHVHJJN-UHFFFAOYSA-N 1 1 370.453 1.889 50 0 FDAAMO COc1ccc(C[NH+]2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC000022777561 518910545 /nfs/dbraw/zinc/91/05/45/518910545.db2.gz LNYYOONFFXMBBX-OALUTQOASA-N 1 1 369.465 1.722 50 0 FDAAMO Cn1cc(C[NH2+]CCSc2cn[nH]n2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000023144937 518933516 /nfs/dbraw/zinc/93/35/16/518933516.db2.gz ZQAVFLJINGGNKY-UHFFFAOYSA-N 1 1 372.454 1.858 50 0 FDAAMO COCC[NH+]1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000023304799 518944860 /nfs/dbraw/zinc/94/48/60/518944860.db2.gz JYPYIUSXBZHKTK-UHFFFAOYSA-N 1 1 366.469 1.792 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)CC1 ZINC000023355517 518947116 /nfs/dbraw/zinc/94/71/16/518947116.db2.gz QVKSNWXLXGRJHN-KRWDZBQOSA-N 1 1 351.516 1.628 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)CC1 ZINC000023355517 518947124 /nfs/dbraw/zinc/94/71/24/518947124.db2.gz QVKSNWXLXGRJHN-KRWDZBQOSA-N 1 1 351.516 1.628 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)CC1 ZINC000023355517 518947130 /nfs/dbraw/zinc/94/71/30/518947130.db2.gz QVKSNWXLXGRJHN-KRWDZBQOSA-N 1 1 351.516 1.628 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000024677997 519004073 /nfs/dbraw/zinc/00/40/73/519004073.db2.gz QRHDXUUVSVXMRQ-QGZVFWFLSA-N 1 1 360.502 1.096 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000024677997 519004079 /nfs/dbraw/zinc/00/40/79/519004079.db2.gz QRHDXUUVSVXMRQ-QGZVFWFLSA-N 1 1 360.502 1.096 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCN(CC(=O)N(C)C)CC2)cc1 ZINC000024677997 519004085 /nfs/dbraw/zinc/00/40/85/519004085.db2.gz QRHDXUUVSVXMRQ-QGZVFWFLSA-N 1 1 360.502 1.096 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCN(CC(=O)N(C)C)CC2)cc1 ZINC000024677997 519004094 /nfs/dbraw/zinc/00/40/94/519004094.db2.gz QRHDXUUVSVXMRQ-QGZVFWFLSA-N 1 1 360.502 1.096 50 0 FDAAMO CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000024739796 519011977 /nfs/dbraw/zinc/01/19/77/519011977.db2.gz JQPGDLJFVHNNNO-UHFFFAOYSA-N 1 1 353.469 1.856 50 0 FDAAMO CC[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccs1 ZINC000024739796 519011982 /nfs/dbraw/zinc/01/19/82/519011982.db2.gz JQPGDLJFVHNNNO-UHFFFAOYSA-N 1 1 353.469 1.856 50 0 FDAAMO CC(C)[C@H](C)[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000026670644 519132934 /nfs/dbraw/zinc/13/29/34/519132934.db2.gz YEVFCXSLISYBBQ-AWEZNQCLSA-N 1 1 367.515 1.502 50 0 FDAAMO CC(C)(CNC(=O)Cc1ccc(N2CCCC2=O)cc1)[NH+]1CCOCC1 ZINC000032747932 519531976 /nfs/dbraw/zinc/53/19/76/519531976.db2.gz ISLLRUBVUNONPO-UHFFFAOYSA-N 1 1 359.470 1.583 50 0 FDAAMO CN1CC[NH+](Cc2ccc(CNS(=O)(=O)c3cccs3)cc2)CC1 ZINC000032932854 519554682 /nfs/dbraw/zinc/55/46/82/519554682.db2.gz UKNBMNLCKHXBGQ-UHFFFAOYSA-N 1 1 365.524 1.974 50 0 FDAAMO C[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1 ZINC000034677265 519592985 /nfs/dbraw/zinc/59/29/85/519592985.db2.gz KWVSIWGSFGYLMQ-CQSZACIVSA-N 1 1 350.463 1.236 50 0 FDAAMO C[C@H](C[NH+]1CCOCC1)C(=O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000035229579 519601249 /nfs/dbraw/zinc/60/12/49/519601249.db2.gz LPKMRVSHCPZGGD-JMSVASOKSA-N 1 1 363.380 1.594 50 0 FDAAMO CCCS(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000085534080 520527952 /nfs/dbraw/zinc/52/79/52/520527952.db2.gz LBYMOVBPPWXENF-UHFFFAOYSA-N 1 1 353.492 1.329 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000246532918 521721978 /nfs/dbraw/zinc/72/19/78/521721978.db2.gz SCSUSMZEZLULMV-YVSFHVDLSA-N 1 1 350.507 1.950 50 0 FDAAMO Cc1cnc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071746992 522124275 /nfs/dbraw/zinc/12/42/75/522124275.db2.gz GWSKLVHPRUWOTB-HNNXBMFYSA-N 1 1 371.485 1.380 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000071762740 522130225 /nfs/dbraw/zinc/13/02/25/522130225.db2.gz BAZHWTPELIQKCE-HNNXBMFYSA-N 1 1 371.481 1.987 50 0 FDAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(CCCO)CC2)C1 ZINC000071775544 522132659 /nfs/dbraw/zinc/13/26/59/522132659.db2.gz FIKPXHIMZCAXJY-QGZVFWFLSA-N 1 1 360.502 1.257 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000072133946 522161953 /nfs/dbraw/zinc/16/19/53/522161953.db2.gz GSASCAOBZYCTFL-KRWDZBQOSA-N 1 1 373.501 1.408 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]nc(C3CC3)c2C1 ZINC000072133946 522161957 /nfs/dbraw/zinc/16/19/57/522161957.db2.gz GSASCAOBZYCTFL-KRWDZBQOSA-N 1 1 373.501 1.408 50 0 FDAAMO c1ncn2c1CN(Cc1cc3n(n1)CCC[N@H+](C[C@@H]1CCOC1)C3)CCC2 ZINC000072143573 522166739 /nfs/dbraw/zinc/16/67/39/522166739.db2.gz CJRKXDVIEUIWHZ-KRWDZBQOSA-N 1 1 370.501 1.728 50 0 FDAAMO O=C(c1cnccn1)N1CC[C@H]2[N@H+](CC3CCCC3)CCC[C@]2(CO)C1 ZINC000072150333 522175495 /nfs/dbraw/zinc/17/54/95/522175495.db2.gz VIMZYPQDTQOYBH-UYAOXDASSA-N 1 1 358.486 1.956 50 0 FDAAMO CCSc1ncc(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@@H+](C)C3)CC2)cn1 ZINC000072157223 522183445 /nfs/dbraw/zinc/18/34/45/522183445.db2.gz XGIYUZZPOVBFHD-CQSZACIVSA-N 1 1 350.488 1.960 50 0 FDAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000072162735 522188023 /nfs/dbraw/zinc/18/80/23/522188023.db2.gz GYKFIUIHPZRJMU-HIFRSBDPSA-N 1 1 365.437 1.201 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCOCC1 ZINC000072169492 522196006 /nfs/dbraw/zinc/19/60/06/522196006.db2.gz FKNXNZDLMXSFAA-LJQANCHMSA-N 1 1 367.449 1.389 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCOCC1 ZINC000072169492 522196011 /nfs/dbraw/zinc/19/60/11/522196011.db2.gz FKNXNZDLMXSFAA-LJQANCHMSA-N 1 1 367.449 1.389 50 0 FDAAMO CCn1ccc2ccc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cc21 ZINC000072303935 522208885 /nfs/dbraw/zinc/20/88/85/522208885.db2.gz RAPNTFFHKKFIDV-IBGZPJMESA-N 1 1 360.458 1.866 50 0 FDAAMO OCC1CCN([C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2O)CC1 ZINC000072409225 522239026 /nfs/dbraw/zinc/23/90/26/522239026.db2.gz WIIPEPIOOOMKKK-IRXDYDNUSA-N 1 1 362.499 1.388 50 0 FDAAMO OCC1CCN([C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]2O)CC1 ZINC000072409225 522239036 /nfs/dbraw/zinc/23/90/36/522239036.db2.gz WIIPEPIOOOMKKK-IRXDYDNUSA-N 1 1 362.499 1.388 50 0 FDAAMO COc1ccc(CN2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)cc1O ZINC000072409146 522239821 /nfs/dbraw/zinc/23/98/21/522239821.db2.gz ILWBOANSZOJAKM-UHFFFAOYSA-N 1 1 363.458 1.749 50 0 FDAAMO CCN1C[C@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1=O ZINC000072417823 522246205 /nfs/dbraw/zinc/24/62/05/522246205.db2.gz WVSQVDFSCFQDAF-GOSISDBHSA-N 1 1 355.482 1.904 50 0 FDAAMO CN(C)c1nc2c(c(N3CCCC3)n1)CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000072424993 522258849 /nfs/dbraw/zinc/25/88/49/522258849.db2.gz GYLWMUGZVQGSTI-UHFFFAOYSA-N 1 1 355.490 1.477 50 0 FDAAMO CC(=O)N1CC[NH+](C[C@H]2CC[C@@H](Cc3ccc4c(cnn4C)c3)O2)CC1 ZINC000072428250 522264136 /nfs/dbraw/zinc/26/41/36/522264136.db2.gz YSDVOMOXLBKCIW-RBUKOAKNSA-N 1 1 356.470 1.828 50 0 FDAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CCN(c2nsc3ccccc32)CC1 ZINC000072435870 522275401 /nfs/dbraw/zinc/27/54/01/522275401.db2.gz ZUHJFZZUFNEQOZ-MRXNPFEDSA-N 1 1 368.466 1.555 50 0 FDAAMO O=C(c1ccc[nH]c1=O)N1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072463390 522286646 /nfs/dbraw/zinc/28/66/46/522286646.db2.gz SPUVHGPBWQYUTQ-SFHVURJKSA-N 1 1 369.465 1.517 50 0 FDAAMO [NH3+]CCN1C(=O)CC[C@H]2CN(Cc3ccnn3-c3ccccc3)CC[C@H]21 ZINC000072480673 522305139 /nfs/dbraw/zinc/30/51/39/522305139.db2.gz YOTTXNXERDZOKQ-QFBILLFUSA-N 1 1 353.470 1.644 50 0 FDAAMO CN(C)c1cc[nH+]c(N2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n1 ZINC000082156683 522305965 /nfs/dbraw/zinc/30/59/65/522305965.db2.gz WCVZZPCTZRIHRB-UHFFFAOYSA-N 1 1 369.473 1.566 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1Cn1cccn1 ZINC000072480691 522306019 /nfs/dbraw/zinc/30/60/19/522306019.db2.gz TZCRZKCSLHQJQY-IBGZPJMESA-N 1 1 356.426 1.967 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CC[C@@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091644430 522579198 /nfs/dbraw/zinc/57/91/98/522579198.db2.gz FXHOBKSBHJRMBI-HXUWFJFHSA-N 1 1 374.485 1.466 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091435128 522584510 /nfs/dbraw/zinc/58/45/10/522584510.db2.gz YXILTMZZDHDBDW-JKSUJKDBSA-N 1 1 354.458 1.753 50 0 FDAAMO CCOc1ccc(CCNC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2O)cc1OCC ZINC000075106663 522878089 /nfs/dbraw/zinc/87/80/89/522878089.db2.gz JUBQIDDHXXQMGK-IRXDYDNUSA-N 1 1 364.486 1.988 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000075572858 522935333 /nfs/dbraw/zinc/93/53/33/522935333.db2.gz WEHHPWPQDZIFPU-GFCCVEGCSA-N 1 1 361.364 1.721 50 0 FDAAMO Cn1c(C[N@H+]2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cc2ccccc21 ZINC000077321109 523296999 /nfs/dbraw/zinc/29/69/99/523296999.db2.gz HWNIJFFBAIXBQP-VQIMIIECSA-N 1 1 365.437 1.334 50 0 FDAAMO COC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082121063 523428343 /nfs/dbraw/zinc/42/83/43/523428343.db2.gz AXPOHNSGIUOVRG-MRXNPFEDSA-N 1 1 360.458 1.641 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2cc(F)ccc2C)C[C@@H]1CO ZINC000091494114 523619468 /nfs/dbraw/zinc/61/94/68/523619468.db2.gz NGHKYBOEGOQDIP-IAGOWNOFSA-N 1 1 352.450 1.322 50 0 FDAAMO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000242302195 523642800 /nfs/dbraw/zinc/64/28/00/523642800.db2.gz YQJGNUYSKGSMSN-MFCQHYBXSA-N 1 1 371.547 1.430 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)Nc1ccc(Cl)nc1)CC2 ZINC000067973657 523654175 /nfs/dbraw/zinc/65/41/75/523654175.db2.gz CLNHFXGDPVKTBD-UHFFFAOYSA-N 1 1 351.838 1.553 50 0 FDAAMO O=C(c1nnc2n1CCCC2)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000067982285 523655640 /nfs/dbraw/zinc/65/56/40/523655640.db2.gz INSSSQRNBGPWNS-UHFFFAOYSA-N 1 1 351.454 1.540 50 0 FDAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000079567506 523768560 /nfs/dbraw/zinc/76/85/60/523768560.db2.gz BWAKTMFEMPUSKT-AWEZNQCLSA-N 1 1 370.457 1.068 50 0 FDAAMO O=C([C@H]1CCC[N@H+](CCO)C1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082098281 524209026 /nfs/dbraw/zinc/20/90/26/524209026.db2.gz WTTQNGBUXMWMMV-HNNXBMFYSA-N 1 1 372.469 1.116 50 0 FDAAMO CCNc1cc[nH+]c(N2CCCn3nc(CNC(=O)N(C)C)cc3C2)n1 ZINC000082114984 524212338 /nfs/dbraw/zinc/21/23/38/524212338.db2.gz OHLSPOIBDDZDRC-UHFFFAOYSA-N 1 1 358.450 1.286 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3ccc(=O)n(C)c3)cc2C1 ZINC000082117016 524213984 /nfs/dbraw/zinc/21/39/84/524213984.db2.gz BJXMOWHFWCMQTC-UHFFFAOYSA-N 1 1 357.458 1.374 50 0 FDAAMO Cc1ccc(C[N@@H+](CCO)Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)s1 ZINC000091656502 524411783 /nfs/dbraw/zinc/41/17/83/524411783.db2.gz NAEWUVRPRPLXAX-UHFFFAOYSA-N 1 1 371.462 1.991 50 0 FDAAMO Cc1cc(C)c2[nH]c(C[N@@H+]3CCC[C@H]3C(=O)N3CCOCC3)cc(=O)c2c1 ZINC000091305918 524688847 /nfs/dbraw/zinc/68/88/47/524688847.db2.gz BMOQGHPNXNFMSW-SFHVURJKSA-N 1 1 369.465 1.968 50 0 FDAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCC[C@H]3C(=O)N3CCOCC3)cc(=O)c2c1 ZINC000091305918 524688855 /nfs/dbraw/zinc/68/88/55/524688855.db2.gz BMOQGHPNXNFMSW-SFHVURJKSA-N 1 1 369.465 1.968 50 0 FDAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CNC(N)=O)CC2)C1 ZINC000091452099 524705995 /nfs/dbraw/zinc/70/59/95/524705995.db2.gz DHWLGZYFYWJYOO-QGZVFWFLSA-N 1 1 358.486 1.773 50 0 FDAAMO Cn1cc(CCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)cn1 ZINC000091563243 524729006 /nfs/dbraw/zinc/72/90/06/524729006.db2.gz BRXFSIRUHWGWBN-IEBWSBKVSA-N 1 1 353.470 1.871 50 0 FDAAMO O=C(Cn1ccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091593498 524732539 /nfs/dbraw/zinc/73/25/39/524732539.db2.gz HZXWKHUFOSVGJY-QFBILLFUSA-N 1 1 350.466 1.973 50 0 FDAAMO Cc1ccsc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091650848 524754539 /nfs/dbraw/zinc/75/45/39/524754539.db2.gz SVGLLFSNYDOEOO-HZPDHXFCSA-N 1 1 351.516 1.375 50 0 FDAAMO Cc1ccsc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091650848 524754548 /nfs/dbraw/zinc/75/45/48/524754548.db2.gz SVGLLFSNYDOEOO-HZPDHXFCSA-N 1 1 351.516 1.375 50 0 FDAAMO Cc1ccsc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091650848 524754560 /nfs/dbraw/zinc/75/45/60/524754560.db2.gz SVGLLFSNYDOEOO-HZPDHXFCSA-N 1 1 351.516 1.375 50 0 FDAAMO CCc1ocnc1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091694630 524765203 /nfs/dbraw/zinc/76/52/03/524765203.db2.gz BMMZEXKMYZDQBK-HNNXBMFYSA-N 1 1 374.485 1.786 50 0 FDAAMO CCCc1ccc(C[N@H+]2C[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](C3CC3)C2)o1 ZINC000091756185 524776638 /nfs/dbraw/zinc/77/66/38/524776638.db2.gz BNBDIEGZDOXDDU-SJORKVTESA-N 1 1 359.470 1.824 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091794454 524785560 /nfs/dbraw/zinc/78/55/60/524785560.db2.gz HBTSPYORIFVCRI-UHFFFAOYSA-N 1 1 355.489 1.374 50 0 FDAAMO CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091849069 524801587 /nfs/dbraw/zinc/80/15/87/524801587.db2.gz IHJCOCQLXADFDD-IAGOWNOFSA-N 1 1 365.499 1.049 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)CSC)CC1 ZINC000091951629 524815945 /nfs/dbraw/zinc/81/59/45/524815945.db2.gz WIUZLFITBJPTGW-UHFFFAOYSA-N 1 1 362.503 1.920 50 0 FDAAMO COc1ccccc1CCNC(=O)C[N@H+]1C[C@H](NC(C)=O)[C@@H](C2CC2)C1 ZINC000091973943 524824453 /nfs/dbraw/zinc/82/44/53/524824453.db2.gz DDCXNYXSLZCJFN-MSOLQXFVSA-N 1 1 359.470 1.200 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2CO)CC1 ZINC000092004355 524827175 /nfs/dbraw/zinc/82/71/75/524827175.db2.gz WDSVIUJAOXKMOD-HZPDHXFCSA-N 1 1 367.440 1.283 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2CO)CC1 ZINC000092004355 524827181 /nfs/dbraw/zinc/82/71/81/524827181.db2.gz WDSVIUJAOXKMOD-HZPDHXFCSA-N 1 1 367.440 1.283 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2CO)CC1 ZINC000092004355 524827191 /nfs/dbraw/zinc/82/71/91/524827191.db2.gz WDSVIUJAOXKMOD-HZPDHXFCSA-N 1 1 367.440 1.283 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cnc(N3CCOCC3)s2)C[C@@H]1NC(C)=O ZINC000092001614 524828920 /nfs/dbraw/zinc/82/89/20/524828920.db2.gz BNFBMPVGEXQSJI-HOCLYGCPSA-N 1 1 352.504 1.716 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@@H]1CO ZINC000092001988 524829376 /nfs/dbraw/zinc/82/93/76/524829376.db2.gz ZPXWYTBNKCUZPN-ZIAGYGMSSA-N 1 1 358.841 1.474 50 0 FDAAMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000092021114 524830733 /nfs/dbraw/zinc/83/07/33/524830733.db2.gz VETPAHRXPULASW-ACJLOTCBSA-N 1 1 350.463 1.167 50 0 FDAAMO Cc1nn(C)cc1NC(=O)C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000092021114 524830740 /nfs/dbraw/zinc/83/07/40/524830740.db2.gz VETPAHRXPULASW-ACJLOTCBSA-N 1 1 350.463 1.167 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(C)c1)CC2 ZINC000092022678 524831828 /nfs/dbraw/zinc/83/18/28/524831828.db2.gz IEORKAHZAMXQMM-UHFFFAOYSA-N 1 1 356.474 1.789 50 0 FDAAMO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)nc(N)n1 ZINC000092046716 524836903 /nfs/dbraw/zinc/83/69/03/524836903.db2.gz OINIHDVEMHPQKV-GOEBONIOSA-N 1 1 373.501 1.898 50 0 FDAAMO COc1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cc1=O ZINC000092077712 524844688 /nfs/dbraw/zinc/84/46/88/524844688.db2.gz FVCFVUFKVMHZCY-HXUWFJFHSA-N 1 1 359.470 1.998 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](O)c1ccc(F)cc1)CC2 ZINC000092096914 524847159 /nfs/dbraw/zinc/84/71/59/524847159.db2.gz GTIJTDHKTFEOLC-KRWDZBQOSA-N 1 1 372.444 1.978 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091643659 524970153 /nfs/dbraw/zinc/97/01/53/524970153.db2.gz ZOBCBWRTDJRYRW-OCVGTWLNSA-N 1 1 363.458 1.342 50 0 FDAAMO CN1CC[C@@]2(CN(Cc3ccc4c(c3)OCCO4)CC[N@H+]2C)CCC1=O ZINC000095375069 525049498 /nfs/dbraw/zinc/04/94/98/525049498.db2.gz OMKKPVFWGLBFLA-HXUWFJFHSA-N 1 1 359.470 1.586 50 0 FDAAMO Cc1nnnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095375438 525049581 /nfs/dbraw/zinc/04/95/81/525049581.db2.gz WBQRXKJADBXGBZ-MAUKXSAKSA-N 1 1 366.469 1.072 50 0 FDAAMO Cc1nccn1CCC[N@@H+]1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095380451 525055562 /nfs/dbraw/zinc/05/55/62/525055562.db2.gz WZTQNAGBUFNHHS-QGZVFWFLSA-N 1 1 368.489 1.835 50 0 FDAAMO CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1[nH]cnc1C)C2 ZINC000095383961 525056938 /nfs/dbraw/zinc/05/69/38/525056938.db2.gz ISTYMIASMIRTIX-DLBZAZTESA-N 1 1 370.501 1.990 50 0 FDAAMO Nc1n[nH]c(SCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)n1 ZINC000095387739 525059298 /nfs/dbraw/zinc/05/92/98/525059298.db2.gz RMOOCKBIRNLBNW-HUUCEWRRSA-N 1 1 372.498 1.602 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(C)c(Cl)c2)C[C@@H]1CO ZINC000095388080 525062024 /nfs/dbraw/zinc/06/20/24/525062024.db2.gz JTWLXJIKUJMCPC-HZPDHXFCSA-N 1 1 354.878 1.907 50 0 FDAAMO CCOC(=O)N1CCC(NC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000095392851 525065008 /nfs/dbraw/zinc/06/50/08/525065008.db2.gz XUODLAUUBWSKHS-QGZVFWFLSA-N 1 1 360.458 1.956 50 0 FDAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000095462065 525073390 /nfs/dbraw/zinc/07/33/90/525073390.db2.gz FJGPFUQCRUBGOR-UHFFFAOYSA-N 1 1 368.499 1.151 50 0 FDAAMO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000095469109 525074239 /nfs/dbraw/zinc/07/42/39/525074239.db2.gz NYQGEXHJCFAIKV-LJQANCHMSA-N 1 1 358.486 1.102 50 0 FDAAMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000095469109 525074249 /nfs/dbraw/zinc/07/42/49/525074249.db2.gz NYQGEXHJCFAIKV-LJQANCHMSA-N 1 1 358.486 1.102 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cncn1)CC2 ZINC000095498130 525081509 /nfs/dbraw/zinc/08/15/09/525081509.db2.gz GVKYGXTZNPDZEF-HNNXBMFYSA-N 1 1 371.489 1.594 50 0 FDAAMO O=C(c1nc2ccccn2c1F)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095502241 525085374 /nfs/dbraw/zinc/08/53/74/525085374.db2.gz SHQPLEMRWZANEO-INIZCTEOSA-N 1 1 368.412 1.792 50 0 FDAAMO O=C(c1nc2ccccn2c1F)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095502241 525085381 /nfs/dbraw/zinc/08/53/81/525085381.db2.gz SHQPLEMRWZANEO-INIZCTEOSA-N 1 1 368.412 1.792 50 0 FDAAMO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](c3nccn3CC(N)=O)C2)o1 ZINC000095510421 525093394 /nfs/dbraw/zinc/09/33/94/525093394.db2.gz BAXPOQOLBNTRRY-ZDUSSCGKSA-N 1 1 359.430 1.043 50 0 FDAAMO O=C(CSc1ccccn1)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095522123 525099230 /nfs/dbraw/zinc/09/92/30/525099230.db2.gz XUHOPWUEQNBVAF-QGZVFWFLSA-N 1 1 357.479 1.879 50 0 FDAAMO O=C(CSc1ccccn1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095522123 525099238 /nfs/dbraw/zinc/09/92/38/525099238.db2.gz XUHOPWUEQNBVAF-QGZVFWFLSA-N 1 1 357.479 1.879 50 0 FDAAMO COc1ccc(F)cc1S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2CO)CC1 ZINC000096099747 525132290 /nfs/dbraw/zinc/13/22/90/525132290.db2.gz XAVICDLXAMMKBG-HNNXBMFYSA-N 1 1 372.462 1.444 50 0 FDAAMO COc1cccc(-c2nc3c([nH]2)CN(C(=O)C[C@@H]2COCC[NH2+]2)CC3)c1 ZINC000096139802 525140515 /nfs/dbraw/zinc/14/05/15/525140515.db2.gz VXCNCCGJVJGRJM-CQSZACIVSA-N 1 1 356.426 1.349 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2F)C[N@@H+]1C1CCOCC1 ZINC000096152203 525142213 /nfs/dbraw/zinc/14/22/13/525142213.db2.gz GEUSUPNQCTUDQK-GUYCJALGSA-N 1 1 363.433 1.314 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2F)C[N@H+]1C1CCOCC1 ZINC000096152203 525142218 /nfs/dbraw/zinc/14/22/18/525142218.db2.gz GEUSUPNQCTUDQK-GUYCJALGSA-N 1 1 363.433 1.314 50 0 FDAAMO C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccoc3)[C@@H](CCO)C2)o1 ZINC000097323850 525181559 /nfs/dbraw/zinc/18/15/59/525181559.db2.gz XNFLMFSWWCRXKL-INIZCTEOSA-N 1 1 361.442 1.643 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000097602299 525189239 /nfs/dbraw/zinc/18/92/39/525189239.db2.gz TVQREMSIXLFZCC-FKIZTMCRSA-N 1 1 357.498 1.812 50 0 FDAAMO Cc1c2cccc(F)c2[nH]c1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091474769 525971893 /nfs/dbraw/zinc/97/18/93/525971893.db2.gz MPZYCPNVXINGQO-ZIAGYGMSSA-N 1 1 363.433 1.220 50 0 FDAAMO Cc1noc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)n1 ZINC000247972406 526613346 /nfs/dbraw/zinc/61/33/46/526613346.db2.gz SXIFBLKNXYIEEF-WKILWMFISA-N 1 1 362.474 1.886 50 0 FDAAMO O=C(CN1c2cccc3cccc(c23)C1=O)NCCC[NH+]1CCOCC1 ZINC000020568031 526825845 /nfs/dbraw/zinc/82/58/45/526825845.db2.gz BZTDJZPLLGRJFL-UHFFFAOYSA-N 1 1 353.422 1.639 50 0 FDAAMO O=C(CNS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020256249 526885254 /nfs/dbraw/zinc/88/52/54/526885254.db2.gz XRZDIIHATYCQTB-UHFFFAOYSA-N 1 1 373.478 1.309 50 0 FDAAMO O=C(COc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000244787597 526950099 /nfs/dbraw/zinc/95/00/99/526950099.db2.gz QACNRAKSGJFLFE-SFHVURJKSA-N 1 1 359.470 1.204 50 0 FDAAMO O=C1N(CCO)CCC[C@]12CC[N@@H+](Cc1cccc(N3CCOCC3)c1)C2 ZINC000091562941 527037879 /nfs/dbraw/zinc/03/78/79/527037879.db2.gz JEWBOGRYKXXCBL-OAQYLSRUSA-N 1 1 373.497 1.330 50 0 FDAAMO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1cnn(-c3ccccc3F)c1)CC2 ZINC000091596001 527189544 /nfs/dbraw/zinc/18/95/44/527189544.db2.gz PLMXAQITDWIGDV-MOPGFXCFSA-N 1 1 374.460 1.702 50 0 FDAAMO O=C(Cc1ccccc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091269604 527286651 /nfs/dbraw/zinc/28/66/51/527286651.db2.gz XMMTXIOSBQTBTE-HZPDHXFCSA-N 1 1 352.862 1.282 50 0 FDAAMO CCCCn1c(N)c(N2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]c1=O ZINC000058124245 535136859 /nfs/dbraw/zinc/13/68/59/535136859.db2.gz UVRBXOBIYUKKAF-UHFFFAOYSA-N 1 1 357.458 1.241 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000245255268 535567991 /nfs/dbraw/zinc/56/79/91/535567991.db2.gz GSHGTAXGZYYHEC-UONOGXRCSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000245255268 535567995 /nfs/dbraw/zinc/56/79/95/535567995.db2.gz GSHGTAXGZYYHEC-UONOGXRCSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000245255268 535567999 /nfs/dbraw/zinc/56/79/99/535567999.db2.gz GSHGTAXGZYYHEC-UONOGXRCSA-N 1 1 357.462 1.170 50 0 FDAAMO CC(C)c1ccccc1S(=O)(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000193312160 537244609 /nfs/dbraw/zinc/24/46/09/537244609.db2.gz HEODOJRTMBHAKS-HNNXBMFYSA-N 1 1 365.499 1.395 50 0 FDAAMO CC(C)(CN1CCOCC1)C[N@H+]1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000221299312 537498777 /nfs/dbraw/zinc/49/87/77/537498777.db2.gz UZNMIZTUSBQELN-LJQANCHMSA-N 1 1 362.518 1.891 50 0 FDAAMO CC(C)(CN1CCCn2nc([C@H](O)C3CC3)cc2C1)C[NH+]1CCOCC1 ZINC000221299312 537498787 /nfs/dbraw/zinc/49/87/87/537498787.db2.gz UZNMIZTUSBQELN-LJQANCHMSA-N 1 1 362.518 1.891 50 0 FDAAMO O=S(=O)(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccccc1Cl ZINC000222806228 537512734 /nfs/dbraw/zinc/51/27/34/537512734.db2.gz QGDKOANUXMHIFU-MSQAHXEGSA-N 1 1 356.875 1.870 50 0 FDAAMO Cn1ccnc1CC[N@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000223627238 537531580 /nfs/dbraw/zinc/53/15/80/537531580.db2.gz PALMCONDWLORES-UHFFFAOYSA-N 1 1 350.426 1.510 50 0 FDAAMO O=C(CSc1ccc2nncn2n1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000225410623 537547410 /nfs/dbraw/zinc/54/74/10/537547410.db2.gz IQYHRAAYCWUGME-ZIAGYGMSSA-N 1 1 360.487 1.597 50 0 FDAAMO O=C(CC[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1)Nc1cccnc1 ZINC000244678608 537649962 /nfs/dbraw/zinc/64/99/62/537649962.db2.gz IGRUATCUFMSOIB-DLBZAZTESA-N 1 1 369.421 1.989 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000245311977 537655865 /nfs/dbraw/zinc/65/58/65/537655865.db2.gz RFFBFDMQYWRRNM-GJZGRUSLSA-N 1 1 368.503 1.074 50 0 FDAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@H]2C1 ZINC000285702339 537748060 /nfs/dbraw/zinc/74/80/60/537748060.db2.gz IVUZTESKFFMYRK-ROUUACIJSA-N 1 1 373.453 1.124 50 0 FDAAMO CN(Cc1nc(-c2ccccn2)no1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426669058 538121639 /nfs/dbraw/zinc/12/16/39/538121639.db2.gz NRAHXHCDTZSROL-NSHDSACASA-N 1 1 353.386 1.644 50 0 FDAAMO O=C(CN1CCOC1=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000426563559 538424863 /nfs/dbraw/zinc/42/48/63/538424863.db2.gz WLVNFYYRFJNFKZ-UHFFFAOYSA-N 1 1 353.369 1.498 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)c3ccnn3CC)cc2C1 ZINC000426613610 538425169 /nfs/dbraw/zinc/42/51/69/538425169.db2.gz JHESGFJPSGJQCI-UHFFFAOYSA-N 1 1 366.491 1.194 50 0 FDAAMO COCC[N@@H+](C)Cc1ccc(CC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000575553135 550465445 /nfs/dbraw/zinc/46/54/45/550465445.db2.gz VVSHSNUFIKPMJC-UHFFFAOYSA-N 1 1 354.516 1.979 50 0 FDAAMO Cc1noc([C@H](C)NC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)n1 ZINC000584887530 551565138 /nfs/dbraw/zinc/56/51/38/551565138.db2.gz UPEKWIWYLUHAFB-ZDUSSCGKSA-N 1 1 350.467 1.251 50 0 FDAAMO Cc1noc([C@H](C)NC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000584887530 551565141 /nfs/dbraw/zinc/56/51/41/551565141.db2.gz UPEKWIWYLUHAFB-ZDUSSCGKSA-N 1 1 350.467 1.251 50 0 FDAAMO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(Cc3cccc(OC)c3)C(=O)C2)C1 ZINC000584890908 551565694 /nfs/dbraw/zinc/56/56/94/551565694.db2.gz BAXLXDZNNSKKJX-KRWDZBQOSA-N 1 1 374.485 1.533 50 0 FDAAMO C[N@H+]1CCCN(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000584893810 551566196 /nfs/dbraw/zinc/56/61/96/551566196.db2.gz PZICCGFCPDZTBW-UHFFFAOYSA-N 1 1 359.386 1.312 50 0 FDAAMO CN(CC[C@H](O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000584896098 551566619 /nfs/dbraw/zinc/56/66/19/551566619.db2.gz COEYMKZNNRWPAG-SFHVURJKSA-N 1 1 362.518 1.778 50 0 FDAAMO CN1CC[NH+](C(C)(C)CNC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)CC1 ZINC000584902484 551567554 /nfs/dbraw/zinc/56/75/54/551567554.db2.gz RGJQOYKDUREJPP-UHFFFAOYSA-N 1 1 374.533 1.825 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@H](CO)C1)N(CCO)Cc1ccccc1F ZINC000426504678 570613798 /nfs/dbraw/zinc/61/37/98/570613798.db2.gz YGXTTYVYPSPNOG-HNNXBMFYSA-N 1 1 353.438 1.034 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2nc3ccccc3n2C)C[C@@H]1CCO ZINC000426536251 570615127 /nfs/dbraw/zinc/61/51/27/570615127.db2.gz IFCFZBBROLHSRE-INIZCTEOSA-N 1 1 373.501 1.808 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000075532643 570616860 /nfs/dbraw/zinc/61/68/60/570616860.db2.gz UCKMFPVPQLRSKA-LLVKDONJSA-N 1 1 358.377 1.336 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102528460 570833632 /nfs/dbraw/zinc/83/36/32/570833632.db2.gz PKPCMZGWINLNAW-BBRMVZONSA-N 1 1 359.426 1.305 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000102528460 570833633 /nfs/dbraw/zinc/83/36/33/570833633.db2.gz PKPCMZGWINLNAW-BBRMVZONSA-N 1 1 359.426 1.305 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nnn3cc(-c4ccccc4)[nH]c(=O)c23)CC1 ZINC000263618638 571047088 /nfs/dbraw/zinc/04/70/88/571047088.db2.gz UTVONTVVYJLGEX-UHFFFAOYSA-N 1 1 366.425 1.663 50 0 FDAAMO Cn1cccc1[C@H]1COCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685942761 571103656 /nfs/dbraw/zinc/10/36/56/571103656.db2.gz VEUWCDUSETUMDF-QGZVFWFLSA-N 1 1 357.458 1.771 50 0 FDAAMO Cn1cccc1[C@@H]1COCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685942760 571103659 /nfs/dbraw/zinc/10/36/59/571103659.db2.gz VEUWCDUSETUMDF-KRWDZBQOSA-N 1 1 357.458 1.771 50 0 FDAAMO COc1ccc(CCNC(=O)C[NH+]2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000243892532 571112322 /nfs/dbraw/zinc/11/23/22/571112322.db2.gz AIIXWXFJCVTKNP-GOSISDBHSA-N 1 1 362.470 1.360 50 0 FDAAMO C[NH+](C)[C@H](C(=O)NCCc1noc(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000244874858 571118780 /nfs/dbraw/zinc/11/87/80/571118780.db2.gz XIKBAGKYZBAIDI-INIZCTEOSA-N 1 1 358.398 1.637 50 0 FDAAMO COc1cc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1O ZINC000369896126 571126816 /nfs/dbraw/zinc/12/68/16/571126816.db2.gz OSCQTVXQUAHMHT-INIZCTEOSA-N 1 1 363.458 1.797 50 0 FDAAMO CCOCC(=O)N1CCC(C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000252483975 571132217 /nfs/dbraw/zinc/13/22/17/571132217.db2.gz FLOILRZODIDBHK-IBGZPJMESA-N 1 1 373.497 1.434 50 0 FDAAMO COc1cccc(N2CCN(c3cc([C@@H]4CCOC4)[nH+]c(N)n3)CC2=O)c1 ZINC000426531577 571135432 /nfs/dbraw/zinc/13/54/32/571135432.db2.gz JTLIATWRYYGAMM-CYBMUJFWSA-N 1 1 369.425 1.425 50 0 FDAAMO CNC(=O)c1ccc(Cl)c(NC(=O)NCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000299765352 571194599 /nfs/dbraw/zinc/19/45/99/571194599.db2.gz AGDXDDIJYLJLRD-LBPRGKRZSA-N 1 1 368.865 1.525 50 0 FDAAMO C[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000299769079 571195420 /nfs/dbraw/zinc/19/54/20/571195420.db2.gz IWEXOCUSGNVIBY-LJQANCHMSA-N 1 1 362.493 1.716 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2F)N2CCCC2)CC1 ZINC000299769079 571195421 /nfs/dbraw/zinc/19/54/21/571195421.db2.gz IWEXOCUSGNVIBY-LJQANCHMSA-N 1 1 362.493 1.716 50 0 FDAAMO CN(CC(=O)NCC1(CN2CC[NH+](C)CC2)CC1)Cc1ccccc1F ZINC000299771901 571195933 /nfs/dbraw/zinc/19/59/33/571195933.db2.gz XRKLVNZISXGKBC-UHFFFAOYSA-N 1 1 362.493 1.401 50 0 FDAAMO Cc1ccc(-n2cnnc2)cc1NC(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000299778513 571197189 /nfs/dbraw/zinc/19/71/89/571197189.db2.gz MSKBFSNQWGKPFT-MRXNPFEDSA-N 1 1 358.446 1.544 50 0 FDAAMO O=C(NCCCc1ccco1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299779454 571197613 /nfs/dbraw/zinc/19/76/13/571197613.db2.gz RPIOEZXFYCBPOJ-HNNXBMFYSA-N 1 1 354.472 1.228 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](O)C1 ZINC000299788086 571199935 /nfs/dbraw/zinc/19/99/35/571199935.db2.gz WISDXQHFGCTFLH-RTBURBONSA-N 1 1 372.469 1.723 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](O)C1 ZINC000299788086 571199937 /nfs/dbraw/zinc/19/99/37/571199937.db2.gz WISDXQHFGCTFLH-RTBURBONSA-N 1 1 372.469 1.723 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cc(=O)c(OC)c[nH]3)cc2C1 ZINC000299791978 571201106 /nfs/dbraw/zinc/20/11/06/571201106.db2.gz CQJHHVHFVPPUHC-UHFFFAOYSA-N 1 1 359.430 1.538 50 0 FDAAMO Cc1n[nH]c(Cc2ccc(NC(=O)N3CCOC[C@@H](C[NH+](C)C)C3)cc2)n1 ZINC000299801290 571203320 /nfs/dbraw/zinc/20/33/20/571203320.db2.gz YQIYGPGULGWLHX-INIZCTEOSA-N 1 1 372.473 1.746 50 0 FDAAMO Cc1nnc(Cc2ccc(NC(=O)N3CCOC[C@@H](C[NH+](C)C)C3)cc2)[nH]1 ZINC000299801290 571203322 /nfs/dbraw/zinc/20/33/22/571203322.db2.gz YQIYGPGULGWLHX-INIZCTEOSA-N 1 1 372.473 1.746 50 0 FDAAMO C[C@H](NC(=O)N(C)CCC[NH+]1CCOCC1)c1nc(-c2ccncc2)no1 ZINC000426379937 571217117 /nfs/dbraw/zinc/21/71/17/571217117.db2.gz ULRCOHPXMHCJNC-AWEZNQCLSA-N 1 1 374.445 1.556 50 0 FDAAMO CC(C)n1cc(CN(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000426491545 571228037 /nfs/dbraw/zinc/22/80/37/571228037.db2.gz PADWXQPGTXHXMT-MRXNPFEDSA-N 1 1 364.494 1.193 50 0 FDAAMO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCN1CCc2ccccc2C1 ZINC000426684411 571235083 /nfs/dbraw/zinc/23/50/83/571235083.db2.gz KVFRAEXLPYZWIB-SFHVURJKSA-N 1 1 367.497 1.525 50 0 FDAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[N@H+]1CCCOCC1 ZINC000012208652 571312737 /nfs/dbraw/zinc/31/27/37/571312737.db2.gz GIBOPKRPBYJXRJ-SFHVURJKSA-N 1 1 354.397 1.541 50 0 FDAAMO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](O)C2)c(Cl)cc1F ZINC000670446638 571350858 /nfs/dbraw/zinc/35/08/58/571350858.db2.gz BCEWMDOVEXEOPF-GFCCVEGCSA-N 1 1 364.870 1.913 50 0 FDAAMO CCc1nc(CNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000670458564 571355693 /nfs/dbraw/zinc/35/56/93/571355693.db2.gz DHXGJGJILSNVEH-CQSZACIVSA-N 1 1 371.528 1.221 50 0 FDAAMO CC[N@H+]1CCc2c(C(=O)NCc3cccs3)c(OC)cc(=O)n2CC1 ZINC000012218669 670611513 /nfs/dbraw/zinc/61/15/13/670611513.db2.gz PSRLDUKKLBZWNZ-UHFFFAOYSA-N 1 1 361.467 1.726 50 0 FDAAMO CC[N@@H+]1CCc2c(C(=O)NCc3cccs3)c(OC)cc(=O)n2CC1 ZINC000012218669 670611520 /nfs/dbraw/zinc/61/15/20/670611520.db2.gz PSRLDUKKLBZWNZ-UHFFFAOYSA-N 1 1 361.467 1.726 50 0 FDAAMO COCC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000015067566 670627148 /nfs/dbraw/zinc/62/71/48/670627148.db2.gz ARVFCFUIGAGBCW-MRXNPFEDSA-N 1 1 350.459 1.816 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3Br)C[C@H]2C1=O ZINC000169751581 672039266 /nfs/dbraw/zinc/03/92/66/672039266.db2.gz RWMAVSJXSOFZFE-BETUJISGSA-N 1 1 367.243 1.512 50 0 FDAAMO CN(C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CC[NH+](Cc3ccsc3)CC2)N1 ZINC000675013216 795216997 /nfs/dbraw/zinc/21/69/97/795216997.db2.gz ABIOMXVVBLHEAV-HNNXBMFYSA-N 1 1 359.499 1.565 50 0 FDAAMO CC[N@H+]1CC[C@H](N(C)c2ncnc3c2ncn3C[C@]2(O)CCOC2)[C@H](C)C1 ZINC000888097643 808184701 /nfs/dbraw/zinc/18/47/01/808184701.db2.gz LVAOVQCOTHPBLR-ZRGWGRIASA-N 1 1 374.489 1.144 50 0 FDAAMO Cc1ccc(N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)nn1 ZINC000082098042 847976419 /nfs/dbraw/zinc/97/64/19/847976419.db2.gz XQJJBOHREVDNNL-IBGZPJMESA-N 1 1 354.458 1.960 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)NC(C)(C)C)CC2 ZINC000169787082 864517286 /nfs/dbraw/zinc/51/72/86/864517286.db2.gz MCUKRBPSKPPIIG-HNNXBMFYSA-N 1 1 366.506 1.140 50 0 FDAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000169789491 864521285 /nfs/dbraw/zinc/52/12/85/864521285.db2.gz QVIAGYHTFZCELB-KRWDZBQOSA-N 1 1 364.461 1.548 50 0 FDAAMO COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000011874740 872056828 /nfs/dbraw/zinc/05/68/28/872056828.db2.gz ZIVRUPVOTKCDEY-MRXNPFEDSA-N 1 1 361.486 1.591 50 0 FDAAMO COc1ccccc1CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000011874740 872056845 /nfs/dbraw/zinc/05/68/45/872056845.db2.gz ZIVRUPVOTKCDEY-MRXNPFEDSA-N 1 1 361.486 1.591 50 0 FDAAMO Cc1nccc(N2CC[NH+](C[C@H](O)COCc3ccccc3F)CC2)n1 ZINC000183769557 896374080 /nfs/dbraw/zinc/37/40/80/896374080.db2.gz WAQPLYCWGMIXTK-KRWDZBQOSA-N 1 1 360.433 1.624 50 0 FDAAMO Cn1cnc2c1nccc2C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377302179 901744610 /nfs/dbraw/zinc/74/46/10/901744610.db2.gz AUVXRLQUGMIVQZ-YOEHRIQHSA-N 1 1 350.426 1.786 50 0 FDAAMO COCC(=O)N1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527730054 906638998 /nfs/dbraw/zinc/63/89/98/906638998.db2.gz ZQYLEIFEUSQAQP-QGZVFWFLSA-N 1 1 366.506 1.330 50 0 FDAAMO O=C(c1cnccn1)N1CCC([NH2+]Cc2noc(-c3cccs3)n2)CC1 ZINC000828202257 924849486 /nfs/dbraw/zinc/84/94/86/924849486.db2.gz TWDIGXCNCKOPEP-UHFFFAOYSA-N 1 1 370.438 1.983 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CC(=O)OC34CCCC4)CC2)C[C@H](C)O1 ZINC000828244543 924857434 /nfs/dbraw/zinc/85/74/34/924857434.db2.gz LNUFXNQHSZMBIN-UXLLHSPISA-N 1 1 364.486 1.963 50 0 FDAAMO CC[N@H+](Cc1ccncc1)C1CN(C(=O)CC2CCN(C(C)=O)CC2)C1 ZINC000581775912 927563874 /nfs/dbraw/zinc/56/38/74/927563874.db2.gz BKBKNHBGLZEGBA-UHFFFAOYSA-N 1 1 358.486 1.763 50 0 FDAAMO CC[N@@H+](Cc1ccncc1)C1CN(C(=O)CC2CCN(C(C)=O)CC2)C1 ZINC000581775912 927563884 /nfs/dbraw/zinc/56/38/84/927563884.db2.gz BKBKNHBGLZEGBA-UHFFFAOYSA-N 1 1 358.486 1.763 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3cnc(C)cn3)CC2)C12CCOCC2 ZINC000581802025 927587248 /nfs/dbraw/zinc/58/72/48/927587248.db2.gz CWTLQWYHKJZILI-KRWDZBQOSA-N 1 1 360.458 1.269 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@@H](c4nc(C)no4)[N@H+](C)C3)CC2)nn1C ZINC000581803261 927599750 /nfs/dbraw/zinc/59/97/50/927599750.db2.gz XQXDPNJNKNIZSG-HNNXBMFYSA-N 1 1 358.446 1.719 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@@H](c4nc(C)no4)[N@@H+](C)C3)CC2)nn1C ZINC000581803261 927599755 /nfs/dbraw/zinc/59/97/55/927599755.db2.gz XQXDPNJNKNIZSG-HNNXBMFYSA-N 1 1 358.446 1.719 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000581803257 927599871 /nfs/dbraw/zinc/59/98/71/927599871.db2.gz IFYZCFAIZRURCN-MRXNPFEDSA-N 1 1 368.503 1.169 50 0 FDAAMO CN(C[C@@H]1CCC[N@@H+](CCO)C1)S(=O)(=O)CCOc1ccccc1F ZINC000952872162 960219947 /nfs/dbraw/zinc/21/99/47/960219947.db2.gz IIVRVOBCFNBUGU-HNNXBMFYSA-N 1 1 374.478 1.170 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000952966483 960254009 /nfs/dbraw/zinc/25/40/09/960254009.db2.gz WOLKFYOKGWRIRV-NSHDSACASA-N 1 1 366.405 1.693 50 0 FDAAMO Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952975687 960272256 /nfs/dbraw/zinc/27/22/56/960272256.db2.gz JXQKZJQCPLQVSX-WMLDXEAASA-N 1 1 369.469 1.434 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000952986955 960311673 /nfs/dbraw/zinc/31/16/73/960311673.db2.gz CEHWOLIEIRJWPS-HNNXBMFYSA-N 1 1 361.461 1.951 50 0 FDAAMO CCc1nnc(C2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CC2)[nH]1 ZINC000191488777 178057935 /nfs/dbraw/zinc/05/79/35/178057935.db2.gz YWLAILJXMFEHPZ-MRXNPFEDSA-N 1 1 361.490 1.717 50 0 FDAAMO C[C@@H](CCNC(=O)N1CC(Oc2ccccc2F)C1)[NH+]1CCOCC1 ZINC000534642992 540393409 /nfs/dbraw/zinc/39/34/09/540393409.db2.gz MEWHLQSGPMJKEL-AWEZNQCLSA-N 1 1 351.422 1.709 50 0 FDAAMO C[C@H](NC(=O)N1CCC(N2CC[NH+](CCO)CC2)CC1)c1ccccc1 ZINC000534666899 540397157 /nfs/dbraw/zinc/39/71/57/540397157.db2.gz TWWVWWNJQDIYMX-KRWDZBQOSA-N 1 1 360.502 1.532 50 0 FDAAMO C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCOCC)n(C)c1=O ZINC000010387135 204020086 /nfs/dbraw/zinc/02/00/86/204020086.db2.gz ZYQCURXOYZBRJC-CFNZNRNTSA-N 1 1 374.445 1.266 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000001835337 204021553 /nfs/dbraw/zinc/02/15/53/204021553.db2.gz FZSQUQIBUWPCRG-INIZCTEOSA-N 1 1 359.426 1.305 50 0 FDAAMO O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485101 204287515 /nfs/dbraw/zinc/28/75/15/204287515.db2.gz XYCMDFUIMUCXTH-ROUUACIJSA-N 1 1 353.422 1.601 50 0 biogenic FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007990281 204313543 /nfs/dbraw/zinc/31/35/43/204313543.db2.gz VHIAJPSLGCKNJI-CQSZACIVSA-N 1 1 373.906 1.561 50 0 FDAAMO Cc1cccn2c(=O)c(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c(O)nc12 ZINC000008604397 204336271 /nfs/dbraw/zinc/33/62/71/204336271.db2.gz MUKHSPVJZMTUHZ-AWEZNQCLSA-N 1 1 358.442 1.703 50 0 FDAAMO CC(C)COC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036096711 205002734 /nfs/dbraw/zinc/00/27/34/205002734.db2.gz LQHAIBMNXDXKDZ-HXUWFJFHSA-N 1 1 350.503 1.854 50 0 FDAAMO COCCC[N@@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@@H](O)COC ZINC000036207041 205007826 /nfs/dbraw/zinc/00/78/26/205007826.db2.gz VREOBUMAXWKCNX-CYBMUJFWSA-N 1 1 369.487 1.447 50 0 FDAAMO COCCC[N@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@@H](O)COC ZINC000036207041 205007831 /nfs/dbraw/zinc/00/78/31/205007831.db2.gz VREOBUMAXWKCNX-CYBMUJFWSA-N 1 1 369.487 1.447 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000072241392 205031224 /nfs/dbraw/zinc/03/12/24/205031224.db2.gz DTBLMWUXNYFWNZ-IRXDYDNUSA-N 1 1 365.861 1.402 50 0 FDAAMO CC[N@@H+](CCO)Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 ZINC000048428294 205162039 /nfs/dbraw/zinc/16/20/39/205162039.db2.gz ILUDUJPSXRGHBQ-UHFFFAOYSA-N 1 1 367.453 1.690 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 ZINC000049547236 205173659 /nfs/dbraw/zinc/17/36/59/205173659.db2.gz HVZVOMMMZKCZDX-OAHLLOKOSA-N 1 1 357.414 1.584 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000053391765 205194125 /nfs/dbraw/zinc/19/41/25/205194125.db2.gz KTAOGBOWIIEDBN-OAHLLOKOSA-N 1 1 373.563 1.675 50 0 FDAAMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000057920468 205246110 /nfs/dbraw/zinc/24/61/10/205246110.db2.gz HZJLOABNUTYCGC-HNNXBMFYSA-N 1 1 362.474 1.935 50 0 FDAAMO CO[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000064040689 205297889 /nfs/dbraw/zinc/29/78/89/205297889.db2.gz CRBDKBMBJOJQSH-MRXNPFEDSA-N 1 1 372.469 1.726 50 0 FDAAMO CO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000064040689 205297892 /nfs/dbraw/zinc/29/78/92/205297892.db2.gz CRBDKBMBJOJQSH-MRXNPFEDSA-N 1 1 372.469 1.726 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)CC1 ZINC000065364247 205339649 /nfs/dbraw/zinc/33/96/49/205339649.db2.gz FQCAAKQCMIXPQO-OAHLLOKOSA-N 1 1 353.488 1.314 50 0 FDAAMO COC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000067286659 205370359 /nfs/dbraw/zinc/37/03/59/205370359.db2.gz DQKFCZMSSOHKHA-KRWDZBQOSA-N 1 1 358.442 1.105 50 0 FDAAMO COC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000067286659 205370365 /nfs/dbraw/zinc/37/03/65/205370365.db2.gz DQKFCZMSSOHKHA-KRWDZBQOSA-N 1 1 358.442 1.105 50 0 FDAAMO COC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000067286659 205370367 /nfs/dbraw/zinc/37/03/67/205370367.db2.gz DQKFCZMSSOHKHA-KRWDZBQOSA-N 1 1 358.442 1.105 50 0 FDAAMO COc1cccc(C(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)c1 ZINC000067622663 205378970 /nfs/dbraw/zinc/37/89/70/205378970.db2.gz IHXXVUYCIAQDBO-UHFFFAOYSA-N 1 1 352.398 1.821 50 0 FDAAMO Cc1nc[nH]c1C[NH+]1CCC([C@@]2(c3ccccn3)NC(=O)NC2=O)CC1 ZINC000067714671 205385433 /nfs/dbraw/zinc/38/54/33/205385433.db2.gz LKIOQXXXALZUBO-SFHVURJKSA-N 1 1 354.414 1.060 50 0 FDAAMO Cc1nc2ccc(CC(=O)N3CCN(C)C4(CC[NH+](C)CC4)C3)cc2[nH]1 ZINC000067725074 205386819 /nfs/dbraw/zinc/38/68/19/205386819.db2.gz DHZVWPSLWQNQEN-UHFFFAOYSA-N 1 1 355.486 1.652 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cnc2ccccc2c1 ZINC000067770551 205388799 /nfs/dbraw/zinc/38/87/99/205388799.db2.gz FDJTXDIXFKDYFR-GOSISDBHSA-N 1 1 354.454 1.792 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cnc2ccccc2c1 ZINC000067770551 205388800 /nfs/dbraw/zinc/38/88/00/205388800.db2.gz FDJTXDIXFKDYFR-GOSISDBHSA-N 1 1 354.454 1.792 50 0 FDAAMO CCC(CC)[C@H](C(=O)NCCCOC[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000095401915 205752705 /nfs/dbraw/zinc/75/27/05/205752705.db2.gz OFFLDQVGDJOBDP-FUHWJXTLSA-N 1 1 356.507 1.683 50 0 FDAAMO CC[NH+](CC)CCCNC[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000006052679 206200137 /nfs/dbraw/zinc/20/01/37/206200137.db2.gz USPBMBYRWRKLSG-KRWDZBQOSA-N 1 1 352.475 1.959 50 0 FDAAMO Cn1nc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc2c1=O ZINC000170613339 206274847 /nfs/dbraw/zinc/27/48/47/206274847.db2.gz HBFUBCYVJJEDSY-PBHICJAKSA-N 1 1 354.454 1.928 50 0 FDAAMO Cc1nnnn1-c1ccc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000170613343 206273833 /nfs/dbraw/zinc/27/38/33/206273833.db2.gz AXIKWPVEHAWWTN-AEFFLSMTSA-N 1 1 354.458 1.965 50 0 FDAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000014251412 206309703 /nfs/dbraw/zinc/30/97/03/206309703.db2.gz RRNZLKAJYSMSRU-CQSZACIVSA-N 1 1 373.478 1.744 50 0 FDAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000014251412 206309707 /nfs/dbraw/zinc/30/97/07/206309707.db2.gz RRNZLKAJYSMSRU-CQSZACIVSA-N 1 1 373.478 1.744 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000020472159 206332837 /nfs/dbraw/zinc/33/28/37/206332837.db2.gz GEBCFSGFEWDOCB-INIZCTEOSA-N 1 1 367.515 1.622 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000215384375 206345604 /nfs/dbraw/zinc/34/56/04/206345604.db2.gz CDTJMRBNDGIYQF-UHFFFAOYSA-N 1 1 352.870 1.018 50 0 FDAAMO OCC[NH+]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000022478675 206378437 /nfs/dbraw/zinc/37/84/37/206378437.db2.gz VJJSBHUJZYBJOR-HXUWFJFHSA-N 1 1 356.466 1.703 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219292040 206380700 /nfs/dbraw/zinc/38/07/00/206380700.db2.gz KYKWRPBFALUHPU-CQSZACIVSA-N 1 1 364.833 1.505 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219292040 206380704 /nfs/dbraw/zinc/38/07/04/206380704.db2.gz KYKWRPBFALUHPU-CQSZACIVSA-N 1 1 364.833 1.505 50 0 FDAAMO C[C@@H](NC(=O)CC[NH+]1CCN(CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000022199532 206368401 /nfs/dbraw/zinc/36/84/01/206368401.db2.gz YUSOOHWWFNZKMV-GOSISDBHSA-N 1 1 372.513 1.494 50 0 FDAAMO C[C@H](CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N1CCOCC1 ZINC000219949473 206394922 /nfs/dbraw/zinc/39/49/22/206394922.db2.gz QQMLVQZVVRBNOK-GOSISDBHSA-N 1 1 359.514 1.877 50 0 FDAAMO COCC[N@@H+](C)CCC(=O)N1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000220296100 206398431 /nfs/dbraw/zinc/39/84/31/206398431.db2.gz OUFYYNSJBWTFOV-SFHVURJKSA-N 1 1 350.463 1.027 50 0 FDAAMO CN1CC[NH+](Cc2ccc(C(=O)NCc3cnn4cccnc34)cc2)CC1 ZINC000221280350 206406447 /nfs/dbraw/zinc/40/64/47/206406447.db2.gz DXSFPTWPTRACSH-UHFFFAOYSA-N 1 1 364.453 1.407 50 0 FDAAMO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1cnc(N2CCOCC2)nc1 ZINC000077484743 132187085 /nfs/dbraw/zinc/18/70/85/132187085.db2.gz KYHRDYFQFZZREF-SFHVURJKSA-N 1 1 373.501 1.680 50 0 FDAAMO Nc1nc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)cc[nH+]1 ZINC000077489384 132187415 /nfs/dbraw/zinc/18/74/15/132187415.db2.gz OEIAYJFOJXKURJ-UHFFFAOYSA-N 1 1 368.489 1.965 50 0 FDAAMO COc1ccnc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000095383488 132209911 /nfs/dbraw/zinc/20/99/11/132209911.db2.gz NYPNMQDBMNHSQK-IBGZPJMESA-N 1 1 359.474 1.398 50 0 FDAAMO Cc1ccc(CSc2nc(N3CCN(CC(N)=O)CC3)cc(N)[nH+]2)cc1 ZINC000095390269 132210334 /nfs/dbraw/zinc/21/03/34/132210334.db2.gz QKTDNTWBPDLXMA-UHFFFAOYSA-N 1 1 372.498 1.267 50 0 FDAAMO OCC[C@@H]1CN(c2ncnc3nc[nH]c32)CC[N@@H+]1Cc1ccccc1F ZINC000106986946 132240849 /nfs/dbraw/zinc/24/08/49/132240849.db2.gz XYMLRXYJZTUFCE-CQSZACIVSA-N 1 1 356.405 1.565 50 0 FDAAMO OCC[C@@H]1CN(c2ncnc3nc[nH]c32)CC[N@H+]1Cc1ccccc1F ZINC000106986946 132240850 /nfs/dbraw/zinc/24/08/50/132240850.db2.gz XYMLRXYJZTUFCE-CQSZACIVSA-N 1 1 356.405 1.565 50 0 FDAAMO COCCN1CC[C@@]2(CN(c3ncccc3F)CC[N@H+]2C)CCC1=O ZINC000107675265 132241993 /nfs/dbraw/zinc/24/19/93/132241993.db2.gz KSBYORKZXNUZME-GOSISDBHSA-N 1 1 350.438 1.370 50 0 FDAAMO Nc1nc2nc[nH]c2c(N2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)n1 ZINC000106964340 132266118 /nfs/dbraw/zinc/26/61/18/132266118.db2.gz GINSEELOJZLVRF-CQSZACIVSA-N 1 1 371.420 1.147 50 0 FDAAMO Nc1nc2nc[nH]c2c(N2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)n1 ZINC000106964340 132266119 /nfs/dbraw/zinc/26/61/19/132266119.db2.gz GINSEELOJZLVRF-CQSZACIVSA-N 1 1 371.420 1.147 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012696282 132267561 /nfs/dbraw/zinc/26/75/61/132267561.db2.gz GHRLWOPMFOCZIO-LSDHHAIUSA-N 1 1 360.458 1.048 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000299789429 132299970 /nfs/dbraw/zinc/29/99/70/132299970.db2.gz WPWWTUMKFBTZPG-UHFFFAOYSA-N 1 1 369.473 1.280 50 0 FDAAMO O=C1[C@@H]2CCCN2C(=O)N1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000053244626 136124741 /nfs/dbraw/zinc/12/47/41/136124741.db2.gz IEMQJEHAINMHAJ-INIZCTEOSA-N 1 1 362.861 1.889 50 0 FDAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CCN1C(=O)COc2ccccc21 ZINC000054620703 136125620 /nfs/dbraw/zinc/12/56/20/136125620.db2.gz LWYYWGCDJHMCGQ-AWEZNQCLSA-N 1 1 356.426 1.760 50 0 FDAAMO Cc1cc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc(C)[nH+]1 ZINC000058172742 136130623 /nfs/dbraw/zinc/13/06/23/136130623.db2.gz HDMYZBYUQFKAHI-UHFFFAOYSA-N 1 1 372.454 1.481 50 0 FDAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(C)(=O)=O)CC3)n2)cc1 ZINC000064977939 136134137 /nfs/dbraw/zinc/13/41/37/136134137.db2.gz NQWPPQMPVUHHAO-UHFFFAOYSA-N 1 1 361.471 1.919 50 0 FDAAMO Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071754405 136140276 /nfs/dbraw/zinc/14/02/76/136140276.db2.gz FUAYYUPZLMJCHT-OAHLLOKOSA-N 1 1 358.490 1.362 50 0 FDAAMO Cc1cccnc1C[NH+]1CCN(c2ccnc(C(=O)NC3CC3)c2)CC1 ZINC000071771831 136141012 /nfs/dbraw/zinc/14/10/12/136141012.db2.gz XPYOFWXEMSOEFU-UHFFFAOYSA-N 1 1 351.454 1.999 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)nc1 ZINC000072475809 136149112 /nfs/dbraw/zinc/14/91/12/136149112.db2.gz UWEZOGGOFCSKJJ-QGZVFWFLSA-N 1 1 374.510 1.966 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)nc1 ZINC000072475809 136149113 /nfs/dbraw/zinc/14/91/13/136149113.db2.gz UWEZOGGOFCSKJJ-QGZVFWFLSA-N 1 1 374.510 1.966 50 0 FDAAMO CO[C@H]1CN(C(C)C)C[C@@H]1[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000096130485 136151121 /nfs/dbraw/zinc/15/11/21/136151121.db2.gz ZAXFHLVNPCGJHL-GJZGRUSLSA-N 1 1 359.478 1.019 50 0 FDAAMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000092771762 172304974 /nfs/dbraw/zinc/30/49/74/172304974.db2.gz BIYHJTVKFPAHHR-IRXDYDNUSA-N 1 1 365.499 1.191 50 0 FDAAMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329015598 259072243 /nfs/dbraw/zinc/07/22/43/259072243.db2.gz JXBVCHMFABBVJE-HUUCEWRRSA-N 1 1 374.407 1.536 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCc1cn2ccccc2n1 ZINC000011935606 518579591 /nfs/dbraw/zinc/57/95/91/518579591.db2.gz BUVUYZAQMPTYMY-KRWDZBQOSA-N 1 1 369.469 1.126 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716593 518667952 /nfs/dbraw/zinc/66/79/52/518667952.db2.gz IIZYUHOAZBUESP-QGZVFWFLSA-N 1 1 367.515 1.622 50 0 FDAAMO C[N@@H+](Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1)C1CCOCC1 ZINC000015073080 518707228 /nfs/dbraw/zinc/70/72/28/518707228.db2.gz VFSQTLAAQUJIDS-IBGZPJMESA-N 1 1 364.486 1.369 50 0 FDAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(N)=O)cc1 ZINC000015999064 518741076 /nfs/dbraw/zinc/74/10/76/518741076.db2.gz TUZPGQYZYBPBNB-MANSERQUSA-N 1 1 373.412 1.996 50 0 FDAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(N)=O)cc1 ZINC000015999064 518741082 /nfs/dbraw/zinc/74/10/82/518741082.db2.gz TUZPGQYZYBPBNB-MANSERQUSA-N 1 1 373.412 1.996 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000018115368 518791931 /nfs/dbraw/zinc/79/19/31/518791931.db2.gz FZSQUQIBUWPCRG-MRXNPFEDSA-N 1 1 359.426 1.305 50 0 FDAAMO CCC(N[C@@H]1CCCC[C@@H]1[NH3+])=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020267175 518847048 /nfs/dbraw/zinc/84/70/48/518847048.db2.gz MBHCWENHJMABNB-GRTFKDCDSA-N 1 1 362.474 1.921 50 0 FDAAMO COc1cccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)c1 ZINC000020866945 518858972 /nfs/dbraw/zinc/85/89/72/518858972.db2.gz GJVDXLOXJPQZIU-UHFFFAOYSA-N 1 1 354.414 1.780 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C[C@H]2O)CC1 ZINC000022919399 518921690 /nfs/dbraw/zinc/92/16/90/518921690.db2.gz ZBQRTTKNRFLXPZ-RTBURBONSA-N 1 1 363.477 1.358 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000024573503 518996932 /nfs/dbraw/zinc/99/69/32/518996932.db2.gz HDDJPTMUWORHFE-AWEZNQCLSA-N 1 1 351.447 1.505 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2csc(Br)c2)CC1 ZINC000025235724 519047846 /nfs/dbraw/zinc/04/78/46/519047846.db2.gz ZJYYLXLILIJXIX-UHFFFAOYSA-N 1 1 360.277 1.451 50 0 FDAAMO O=C(Cn1ncc2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028265151 519231148 /nfs/dbraw/zinc/23/11/48/519231148.db2.gz YFDRJDJCEYZCPI-UHFFFAOYSA-N 1 1 362.433 1.741 50 0 FDAAMO CC(C)C[C@@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020136638 519281019 /nfs/dbraw/zinc/28/10/19/519281019.db2.gz SWKVZERFUNLQLU-SFHVURJKSA-N 1 1 374.485 1.917 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cnc3sc4c(n3c2=O)CCCCC4)CC1 ZINC000035430396 519606938 /nfs/dbraw/zinc/60/69/38/519606938.db2.gz OAFSXRPLHJIYGD-UHFFFAOYSA-N 1 1 360.483 1.803 50 0 FDAAMO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000040155696 519641567 /nfs/dbraw/zinc/64/15/67/519641567.db2.gz HGGDEEAZEORMMH-OAHLLOKOSA-N 1 1 373.453 1.935 50 0 FDAAMO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000040155696 519641569 /nfs/dbraw/zinc/64/15/69/519641569.db2.gz HGGDEEAZEORMMH-OAHLLOKOSA-N 1 1 373.453 1.935 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CNC(=O)c2ccco2)c1 ZINC000040158569 519641808 /nfs/dbraw/zinc/64/18/08/519641808.db2.gz CXGDXPDGGSZKLC-OAHLLOKOSA-N 1 1 370.409 1.098 50 0 FDAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)CNC(=O)c2ccco2)c1 ZINC000040158569 519641811 /nfs/dbraw/zinc/64/18/11/519641811.db2.gz CXGDXPDGGSZKLC-OAHLLOKOSA-N 1 1 370.409 1.098 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000245264246 519730482 /nfs/dbraw/zinc/73/04/82/519730482.db2.gz CHOUZDGZPNOVFM-ZBFHGGJFSA-N 1 1 363.433 1.725 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)CCCN3CCCC3=O)cc2C1 ZINC000082083458 519854737 /nfs/dbraw/zinc/85/47/37/519854737.db2.gz FMSARZGYMAXEIC-UHFFFAOYSA-N 1 1 361.490 1.518 50 0 FDAAMO CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC000089984946 520267773 /nfs/dbraw/zinc/26/77/73/520267773.db2.gz OULLXLKXHLQRLO-GOEBONIOSA-N 1 1 366.531 1.979 50 0 FDAAMO CCCC[N@@H+](CC)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000020491560 520475914 /nfs/dbraw/zinc/47/59/14/520475914.db2.gz NLUHIXYCXNUCKZ-UHFFFAOYSA-N 1 1 355.460 1.418 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C[N@@H+]1C ZINC000096162585 520532823 /nfs/dbraw/zinc/53/28/23/520532823.db2.gz XVKNELZMYDAMTD-DYVFJYSZSA-N 1 1 370.453 1.199 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C[N@H+]1C ZINC000096162585 520532833 /nfs/dbraw/zinc/53/28/33/520532833.db2.gz XVKNELZMYDAMTD-DYVFJYSZSA-N 1 1 370.453 1.199 50 0 FDAAMO CC[NH+](CC)CCNC(C)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000019928698 520649284 /nfs/dbraw/zinc/64/92/84/520649284.db2.gz BXEQZDCGYBFQIW-JQIJEIRASA-N 1 1 358.442 1.470 50 0 FDAAMO CC1CCN(C(=O)CN2CC[NH+](C[C@H](O)c3cccs3)CC2)CC1 ZINC000085436931 520977630 /nfs/dbraw/zinc/97/76/30/520977630.db2.gz YVTRXXZZWBWMFT-INIZCTEOSA-N 1 1 351.516 1.658 50 0 FDAAMO COCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071639441 522117542 /nfs/dbraw/zinc/11/75/42/522117542.db2.gz VQJUTSANVSYDDU-LJQANCHMSA-N 1 1 374.529 1.911 50 0 FDAAMO CC(=O)N1CCc2c(nc(C)nc2NCC[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000071707983 522120849 /nfs/dbraw/zinc/12/08/49/522120849.db2.gz FNGDLYIEHCJPCC-AWEZNQCLSA-N 1 1 360.506 1.128 50 0 FDAAMO CC(C)[C@H]1CN(C(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071721338 522121336 /nfs/dbraw/zinc/12/13/36/522121336.db2.gz GHJNSYRERUWRJD-QGZVFWFLSA-N 1 1 360.437 1.571 50 0 FDAAMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071745887 522121804 /nfs/dbraw/zinc/12/18/04/522121804.db2.gz BOGONPYCNKQGGI-QGZVFWFLSA-N 1 1 361.490 1.636 50 0 FDAAMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071745887 522121809 /nfs/dbraw/zinc/12/18/09/522121809.db2.gz BOGONPYCNKQGGI-QGZVFWFLSA-N 1 1 361.490 1.636 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCc2c(=O)[nH]c(-c3cccnc3)nc2C1 ZINC000071749406 522124679 /nfs/dbraw/zinc/12/46/79/522124679.db2.gz KWLCMPLVVZBHJE-UHFFFAOYSA-N 1 1 364.409 1.176 50 0 FDAAMO CC(C)N(Cc1nccn1C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071764695 522129990 /nfs/dbraw/zinc/12/99/90/522129990.db2.gz OCONXMIJYHCQCP-QGZVFWFLSA-N 1 1 361.534 1.963 50 0 FDAAMO O=C(C1CC1)N1CCc2c(ncnc2NCC[N@@H+]2CCCC[C@H]2CO)C1 ZINC000071776968 522133631 /nfs/dbraw/zinc/13/36/31/522133631.db2.gz OBBSEDHTGHQCGJ-HNNXBMFYSA-N 1 1 359.474 1.030 50 0 FDAAMO CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071776690 522133924 /nfs/dbraw/zinc/13/39/24/522133924.db2.gz QNKIPWZZAOGPCT-FQEVSTJZSA-N 1 1 373.541 1.856 50 0 FDAAMO CCCn1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(C)nc2)c(C)n1 ZINC000072144946 522170140 /nfs/dbraw/zinc/17/01/40/522170140.db2.gz XIQNNRODTXOWKI-KRWDZBQOSA-N 1 1 370.457 1.358 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCNC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000072165681 522191649 /nfs/dbraw/zinc/19/16/49/522191649.db2.gz FBZOMHMMVWNOLS-MRXNPFEDSA-N 1 1 373.432 1.414 50 0 FDAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NC[C@H](O)CO)Cc2ccccc2C1 ZINC000072171326 522198922 /nfs/dbraw/zinc/19/89/22/522198922.db2.gz JJEWXIGQTKYFCU-FQEVSTJZSA-N 1 1 368.477 1.168 50 0 FDAAMO OCC[N@@H+](CCN1CCOCC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000072313459 522213685 /nfs/dbraw/zinc/21/36/85/522213685.db2.gz IPLSJUBWBQZUIS-UHFFFAOYSA-N 1 1 362.392 1.754 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000072407452 522236451 /nfs/dbraw/zinc/23/64/51/522236451.db2.gz CRFGWGRUSYYZQY-CYBMUJFWSA-N 1 1 361.412 1.779 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Sc3ccccn3)cc2)CC1 ZINC000058267549 522237824 /nfs/dbraw/zinc/23/78/24/522237824.db2.gz ZIBHBRXVYGEKOO-UHFFFAOYSA-N 1 1 370.478 1.912 50 0 FDAAMO C[C@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCS(=O)(=O)N(C)C ZINC000072410901 522242609 /nfs/dbraw/zinc/24/26/09/522242609.db2.gz ATWZARMOQHJIRW-CYBMUJFWSA-N 1 1 365.455 1.849 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1CCOC[C@H]1CC(=O)Nc1ccccc1F ZINC000072421369 522251251 /nfs/dbraw/zinc/25/12/51/522251251.db2.gz UCEAFGGGCLSVMY-OAHLLOKOSA-N 1 1 374.416 1.977 50 0 FDAAMO O=C([C@H]1NCCc2nc[nH]c21)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072422968 522253832 /nfs/dbraw/zinc/25/38/32/522253832.db2.gz BNUKSSXXCXZNOG-SFHVURJKSA-N 1 1 357.433 1.470 50 0 FDAAMO O=C([C@H]1NCCc2nc[nH]c21)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072422968 522253839 /nfs/dbraw/zinc/25/38/39/522253839.db2.gz BNUKSSXXCXZNOG-SFHVURJKSA-N 1 1 357.433 1.470 50 0 FDAAMO O=C1N(Cc2ccccc2)CCC12CCN(C[C@@]1(O)CCC[NH2+]C1)CC2 ZINC000072423194 522257123 /nfs/dbraw/zinc/25/71/23/522257123.db2.gz JHIUDUOAZSNLCW-OAQYLSRUSA-N 1 1 357.498 1.616 50 0 FDAAMO O=C([C@H]1[NH2+]CCc2nc[nH]c21)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000072431594 522269052 /nfs/dbraw/zinc/26/90/52/522269052.db2.gz GNBDTXBFABZJOQ-INIZCTEOSA-N 1 1 352.394 1.285 50 0 FDAAMO O=C(CCCn1cnnn1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072433784 522271146 /nfs/dbraw/zinc/27/11/46/522271146.db2.gz HIWZZJISRGLDHE-UHFFFAOYSA-N 1 1 354.458 1.503 50 0 FDAAMO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000072447122 522280213 /nfs/dbraw/zinc/28/02/13/522280213.db2.gz URUFJOUSRMYTBS-IBGZPJMESA-N 1 1 374.441 1.529 50 0 FDAAMO CN(C)Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)n1C ZINC000072474963 522296512 /nfs/dbraw/zinc/29/65/12/522296512.db2.gz FTAMRBHIQRSUHT-HNNXBMFYSA-N 1 1 357.458 1.985 50 0 FDAAMO Cc1cnn(CCNc2ncnc3c2CC[N@@H+](C[C@H]2CCOC2)CC3)c1 ZINC000072475350 522298792 /nfs/dbraw/zinc/29/87/92/522298792.db2.gz XFQNAWRLOGNKEB-MRXNPFEDSA-N 1 1 356.474 1.531 50 0 FDAAMO CN(CCC[NH+]1CCOCC1)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000020599494 522753547 /nfs/dbraw/zinc/75/35/47/522753547.db2.gz FYPJLUSIDHHFPI-UHFFFAOYSA-N 1 1 358.442 1.850 50 0 FDAAMO O=C(CC[NH+]1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1)NC1CC1 ZINC000075612142 522943894 /nfs/dbraw/zinc/94/38/94/522943894.db2.gz HQYFYJQUZISBRK-UHFFFAOYSA-N 1 1 367.453 1.299 50 0 FDAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000020912798 522953045 /nfs/dbraw/zinc/95/30/45/522953045.db2.gz ZVBDTBRUOGUKIQ-AWEZNQCLSA-N 1 1 361.446 1.452 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000077320116 523293991 /nfs/dbraw/zinc/29/39/91/523293991.db2.gz IDRPUDSDNFITOJ-FQEVSTJZSA-N 1 1 360.498 1.941 50 0 FDAAMO COc1cccc(CN2CCN(C(=O)CC[N@H+]3C[C@@H]4CC[C@H]3C4)CC2=O)c1 ZINC000077505904 523366363 /nfs/dbraw/zinc/36/63/63/523366363.db2.gz FBUDJYZOZQDADW-MSOLQXFVSA-N 1 1 371.481 1.740 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)nc(N)n1 ZINC000067880769 523620770 /nfs/dbraw/zinc/62/07/70/523620770.db2.gz VAHWUDDHVWGPKZ-UHFFFAOYSA-N 1 1 374.533 1.499 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)nc(N)n1 ZINC000067880769 523620780 /nfs/dbraw/zinc/62/07/80/523620780.db2.gz VAHWUDDHVWGPKZ-UHFFFAOYSA-N 1 1 374.533 1.499 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC000067975223 523655346 /nfs/dbraw/zinc/65/53/46/523655346.db2.gz HJEVRNRNZOSLRP-ZDUSSCGKSA-N 1 1 374.441 1.719 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC000067975223 523655348 /nfs/dbraw/zinc/65/53/48/523655348.db2.gz HJEVRNRNZOSLRP-ZDUSSCGKSA-N 1 1 374.441 1.719 50 0 FDAAMO O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000068524525 523811294 /nfs/dbraw/zinc/81/12/94/523811294.db2.gz RWPVUQGPHXMINM-CQSZACIVSA-N 1 1 370.453 1.743 50 0 FDAAMO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000084715253 524326147 /nfs/dbraw/zinc/32/61/47/524326147.db2.gz PISRKMPQJXCHMX-DGCLKSJQSA-N 1 1 357.501 1.241 50 0 FDAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000248875802 524630780 /nfs/dbraw/zinc/63/07/80/524630780.db2.gz RBIDUIPRTPKGNJ-MAUKXSAKSA-N 1 1 362.433 1.945 50 0 FDAAMO COc1ccc(-c2cc(C(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)n[nH]2)cc1 ZINC000091289313 524689543 /nfs/dbraw/zinc/68/95/43/524689543.db2.gz LHZRTOHHUKOHMC-HUUCEWRRSA-N 1 1 358.442 1.327 50 0 FDAAMO CCn1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)cn1 ZINC000091351034 524694559 /nfs/dbraw/zinc/69/45/59/524694559.db2.gz NDWVZNABBFSNLX-UHFFFAOYSA-N 1 1 372.473 1.149 50 0 FDAAMO COc1ccc(/C=C/C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1 ZINC000091326843 524694593 /nfs/dbraw/zinc/69/45/93/524694593.db2.gz LNHIDRJLZDWZFX-FMEUAVTJSA-N 1 1 359.514 1.496 50 0 FDAAMO COc1ccc(/C=C/C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc1 ZINC000091326843 524694599 /nfs/dbraw/zinc/69/45/99/524694599.db2.gz LNHIDRJLZDWZFX-FMEUAVTJSA-N 1 1 359.514 1.496 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3ccccc31)C2 ZINC000091410422 524697946 /nfs/dbraw/zinc/69/79/46/524697946.db2.gz VHGNCHQCXIPWSV-UONOGXRCSA-N 1 1 355.442 1.188 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1n[nH]c3ccccc31)C2 ZINC000091410422 524697951 /nfs/dbraw/zinc/69/79/51/524697951.db2.gz VHGNCHQCXIPWSV-UONOGXRCSA-N 1 1 355.442 1.188 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)c(F)c1)C2 ZINC000091563280 524729407 /nfs/dbraw/zinc/72/94/07/524729407.db2.gz WENJSEDQWZHLKE-GXTWGEPZSA-N 1 1 351.397 1.589 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)c(F)c1)C2 ZINC000091563280 524729412 /nfs/dbraw/zinc/72/94/12/524729412.db2.gz WENJSEDQWZHLKE-GXTWGEPZSA-N 1 1 351.397 1.589 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091594848 524736898 /nfs/dbraw/zinc/73/68/98/524736898.db2.gz LRHMRKHSTHHRTH-AEFFLSMTSA-N 1 1 363.506 1.031 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091594848 524736909 /nfs/dbraw/zinc/73/69/09/524736909.db2.gz LRHMRKHSTHHRTH-AEFFLSMTSA-N 1 1 363.506 1.031 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(C)c(F)c2F)C[C@@H]1CO ZINC000091621440 524742522 /nfs/dbraw/zinc/74/25/22/524742522.db2.gz NZBOPNXQVBZDTH-ZIAGYGMSSA-N 1 1 356.413 1.268 50 0 FDAAMO O=C(c1ccc2c(c1)CCC2)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091643329 524751324 /nfs/dbraw/zinc/75/13/24/524751324.db2.gz FZGKJYUIHAPPBT-SJORKVTESA-N 1 1 358.482 1.578 50 0 FDAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1)NCCc1ccc(F)cc1 ZINC000091725786 524768269 /nfs/dbraw/zinc/76/82/69/524768269.db2.gz YRBDMNPPFGYOLC-PKOBYXMFSA-N 1 1 373.472 1.817 50 0 FDAAMO COCCn1ccnc1C1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000091794129 524785506 /nfs/dbraw/zinc/78/55/06/524785506.db2.gz KOGQRVCCRZEHJK-INIZCTEOSA-N 1 1 350.463 1.004 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 ZINC000091809115 524788026 /nfs/dbraw/zinc/78/80/26/524788026.db2.gz CXSBCQOBZCZHJJ-UHFFFAOYSA-N 1 1 365.441 1.244 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091847702 524797971 /nfs/dbraw/zinc/79/79/71/524797971.db2.gz HDQPYGGTNDPCAY-FUHWJXTLSA-N 1 1 367.453 1.740 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCN(CCn3cncn3)CC2)[NH+](C)C)c1 ZINC000091849030 524799448 /nfs/dbraw/zinc/79/94/48/524799448.db2.gz FKIDUKRCBZXVNV-SFHVURJKSA-N 1 1 356.474 1.034 50 0 FDAAMO Cc1ncc(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)c(=O)[nH]1 ZINC000091894223 524806174 /nfs/dbraw/zinc/80/61/74/524806174.db2.gz TYTFNFODQNHIBO-CRAIPNDOSA-N 1 1 367.453 1.139 50 0 FDAAMO CN(C)C(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091915360 524812684 /nfs/dbraw/zinc/81/26/84/524812684.db2.gz YOHMDXDGXHSTPY-RBUKOAKNSA-N 1 1 372.513 1.813 50 0 FDAAMO CNC(=O)CC[N@H+]1C[C@H](NC(=O)c2ccc(COC)o2)[C@@H](C(C)C)C1 ZINC000091950688 524816647 /nfs/dbraw/zinc/81/66/47/524816647.db2.gz IDQJKXVZOBSQLE-CABCVRRESA-N 1 1 351.447 1.248 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2CO)CC1 ZINC000095360732 525035278 /nfs/dbraw/zinc/03/52/78/525035278.db2.gz XYDLITLZIBROSM-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095362592 525035944 /nfs/dbraw/zinc/03/59/44/525035944.db2.gz PMHSEYDKPVSPOC-RTBURBONSA-N 1 1 351.450 1.971 50 0 FDAAMO O=C(NCc1nnc(-c2ccccc2)[nH]1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095363523 525038911 /nfs/dbraw/zinc/03/89/11/525038911.db2.gz LAKMZPGXGRDAEZ-INIZCTEOSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095363523 525038918 /nfs/dbraw/zinc/03/89/18/525038918.db2.gz LAKMZPGXGRDAEZ-INIZCTEOSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095363523 525038922 /nfs/dbraw/zinc/03/89/22/525038922.db2.gz LAKMZPGXGRDAEZ-INIZCTEOSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095363523 525038925 /nfs/dbraw/zinc/03/89/25/525038925.db2.gz LAKMZPGXGRDAEZ-INIZCTEOSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095363523 525038927 /nfs/dbraw/zinc/03/89/27/525038927.db2.gz LAKMZPGXGRDAEZ-INIZCTEOSA-N 1 1 369.469 1.979 50 0 FDAAMO Cc1ccc([C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)[NH+](C)C)cc1 ZINC000095363639 525039042 /nfs/dbraw/zinc/03/90/42/525039042.db2.gz BDANKJBCQGRXRR-SFHVURJKSA-N 1 1 354.454 1.910 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3cc4ccccc4s3)C[C@@H]2CO)CC1 ZINC000095378076 525052856 /nfs/dbraw/zinc/05/28/56/525052856.db2.gz MUMQECVPUGRHIY-IAGOWNOFSA-N 1 1 373.522 1.829 50 0 FDAAMO CNC(=O)c1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000095384985 525056817 /nfs/dbraw/zinc/05/68/17/525056817.db2.gz ZGXIUSVWYVACBN-GOEBONIOSA-N 1 1 373.432 1.665 50 0 FDAAMO Cc1oc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095385347 525060472 /nfs/dbraw/zinc/06/04/72/525060472.db2.gz NTALJTZOYICNEB-IAGOWNOFSA-N 1 1 363.502 1.639 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@H]3COc4ccccc4O3)cc2C1 ZINC000095385152 525061422 /nfs/dbraw/zinc/06/14/22/525061422.db2.gz MUAVNNKJJVXGOT-LJQANCHMSA-N 1 1 370.453 1.811 50 0 FDAAMO COc1ccc(OCC[N@@H+](C)CCCn2cnc3c2ncnc3N)cc1 ZINC000095408254 525067850 /nfs/dbraw/zinc/06/78/50/525067850.db2.gz OJKUUBCRESYWSS-UHFFFAOYSA-N 1 1 356.430 1.818 50 0 FDAAMO O=C(Cn1ncc2ccccc2c1=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095497139 525079940 /nfs/dbraw/zinc/07/99/40/525079940.db2.gz HENHWLGNTYRAST-SJLPKXTDSA-N 1 1 366.465 1.729 50 0 FDAAMO O=C(C1CC1)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(CO)o1)CC2 ZINC000095498794 525081253 /nfs/dbraw/zinc/08/12/53/525081253.db2.gz DUBCQGUPWYXITL-UHFFFAOYSA-N 1 1 370.453 1.781 50 0 FDAAMO O=C(CN1CCCCCC1=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095527469 525103374 /nfs/dbraw/zinc/10/33/74/525103374.db2.gz HWOUTKHOZXYLAZ-GOSISDBHSA-N 1 1 359.470 1.094 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCO2)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095526143 525103622 /nfs/dbraw/zinc/10/36/22/525103622.db2.gz UOAVHQYGHQRTIK-SFHVURJKSA-N 1 1 368.433 1.663 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2CC)C[N@@H+]1CCC=C(C)C ZINC000096148745 525141209 /nfs/dbraw/zinc/14/12/09/525141209.db2.gz RVTJORQBGLVSQD-GJZGRUSLSA-N 1 1 362.474 1.902 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncoc2CC)C[N@H+]1CCC=C(C)C ZINC000096148745 525141218 /nfs/dbraw/zinc/14/12/18/525141218.db2.gz RVTJORQBGLVSQD-GJZGRUSLSA-N 1 1 362.474 1.902 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(-c3nncn3C)cc2)C1 ZINC000096150792 525141616 /nfs/dbraw/zinc/14/16/16/525141616.db2.gz SSRRNFPYTLEVMO-OAHLLOKOSA-N 1 1 372.473 1.962 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccccn2)C[N@H+]1C1CCOCC1 ZINC000096151863 525142442 /nfs/dbraw/zinc/14/24/42/525142442.db2.gz YVKJKMUJTKRSNW-QAPCUYQASA-N 1 1 374.485 1.302 50 0 FDAAMO C[C@H]1CCC(=O)N1c1cccc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000096166654 525146329 /nfs/dbraw/zinc/14/63/29/525146329.db2.gz WKFGPTARPYLYNP-ZDUSSCGKSA-N 1 1 373.457 1.273 50 0 FDAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000096301206 525156673 /nfs/dbraw/zinc/15/66/73/525156673.db2.gz HDDFJNXJCSAWCF-AWEZNQCLSA-N 1 1 366.259 1.719 50 0 FDAAMO OCC[NH+]1CCN(N=c2nc(Nc3ccccc3)c3nccnc3[nH]2)CC1 ZINC000096346868 525159679 /nfs/dbraw/zinc/15/96/79/525159679.db2.gz KRYYNVAEWNSWFL-UHFFFAOYSA-N 1 1 366.429 1.100 50 0 FDAAMO C[C@@H](CCNC(=O)c1cnc2c(F)cccc2c1O)N1CC[NH+](C)CC1 ZINC000097179486 525175966 /nfs/dbraw/zinc/17/59/66/525175966.db2.gz JYUHTELEEXCKAD-ZDUSSCGKSA-N 1 1 360.433 1.423 50 0 FDAAMO O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1cc(-c2ccncc2)n[nH]1 ZINC000097425163 525184099 /nfs/dbraw/zinc/18/40/99/525184099.db2.gz YJEZIYPSBYOCGQ-UHFFFAOYSA-N 1 1 355.442 1.847 50 0 FDAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097696269 525193220 /nfs/dbraw/zinc/19/32/20/525193220.db2.gz ISJUYMDMEJCCRG-HNNXBMFYSA-N 1 1 355.442 1.312 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000176995140 525214854 /nfs/dbraw/zinc/21/48/54/525214854.db2.gz VDGXXFBJLSXKHI-QGZVFWFLSA-N 1 1 354.454 1.853 50 0 FDAAMO O=C(CC[C@@H]1CCC[N@H+](CCO)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020204689 526554560 /nfs/dbraw/zinc/55/45/60/526554560.db2.gz HIPKRPIFRBKRRA-FQEVSTJZSA-N 1 1 359.514 1.815 50 0 FDAAMO CC(C)CN1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000040087029 535140442 /nfs/dbraw/zinc/14/04/42/535140442.db2.gz XPKHWUKZLMJNGD-SFHVURJKSA-N 1 1 372.513 1.429 50 0 FDAAMO CCNC(=O)N1CCO[C@@H](C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)C1 ZINC000034667088 535791484 /nfs/dbraw/zinc/79/14/84/535791484.db2.gz YUEOEOCOPVODOK-IBGZPJMESA-N 1 1 360.502 1.856 50 0 FDAAMO Cc1csc([C@H]2COCCN2Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000190412845 537172006 /nfs/dbraw/zinc/17/20/06/537172006.db2.gz OOATWRQOJKLBRN-MRXNPFEDSA-N 1 1 374.514 1.567 50 0 FDAAMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)C1 ZINC000248561918 537191939 /nfs/dbraw/zinc/19/19/39/537191939.db2.gz NUBVHTOMQVYBSV-GOEBONIOSA-N 1 1 365.499 1.714 50 0 FDAAMO COCCN1CCC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1=O ZINC000252498507 537250211 /nfs/dbraw/zinc/25/02/11/537250211.db2.gz RDOKGNBGSCFOTR-OAHLLOKOSA-N 1 1 361.442 1.088 50 0 FDAAMO COCCN1CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1=O ZINC000252498507 537250212 /nfs/dbraw/zinc/25/02/12/537250212.db2.gz RDOKGNBGSCFOTR-OAHLLOKOSA-N 1 1 361.442 1.088 50 0 FDAAMO O=S(=O)(N1CCCCC1)N1CCC[N@@H+](CCCn2cccn2)CC1 ZINC000252507774 537250476 /nfs/dbraw/zinc/25/04/76/537250476.db2.gz WTQZCTMMZGXABX-UHFFFAOYSA-N 1 1 355.508 1.012 50 0 FDAAMO Cc1ccc[nH+]c1NCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000215271421 537435404 /nfs/dbraw/zinc/43/54/04/537435404.db2.gz ZRRIIDYWKVZMAT-UHFFFAOYSA-N 1 1 362.455 1.482 50 0 FDAAMO Cc1ncsc1CCCNC(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000221354392 537500156 /nfs/dbraw/zinc/50/01/56/537500156.db2.gz GTGRGFSHZYEFIP-ZDUSSCGKSA-N 1 1 359.517 1.009 50 0 FDAAMO Cc1ncsc1CCCNC(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000221354392 537500164 /nfs/dbraw/zinc/50/01/64/537500164.db2.gz GTGRGFSHZYEFIP-ZDUSSCGKSA-N 1 1 359.517 1.009 50 0 FDAAMO C[NH+](C)C[C@@]1(CO)CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 ZINC000221350015 537500682 /nfs/dbraw/zinc/50/06/82/537500682.db2.gz OJOKPAONLKWFDT-SFHVURJKSA-N 1 1 368.499 1.013 50 0 FDAAMO Cc1nn(CCO)cc1C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000223147053 537518465 /nfs/dbraw/zinc/51/84/65/537518465.db2.gz HRTJTTWNWFFLEM-UHFFFAOYSA-N 1 1 355.442 1.664 50 0 FDAAMO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000225410278 537547432 /nfs/dbraw/zinc/54/74/32/537547432.db2.gz YQJGNUYSKGSMSN-CMZGEBONSA-N 1 1 371.547 1.430 50 0 FDAAMO O=C(Cn1cnc2ccsc2c1=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000225406406 537547822 /nfs/dbraw/zinc/54/78/22/537547822.db2.gz SOXYTSYVOZAGBS-UKRRQHHQSA-N 1 1 360.483 1.839 50 0 FDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2ccccc2NC1=O ZINC000227043787 537568563 /nfs/dbraw/zinc/56/85/63/537568563.db2.gz DDBNPHFKULZTKC-QOIOWGMHSA-N 1 1 353.422 1.713 50 0 FDAAMO O=C(CSc1ccc2nncn2n1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230205008 537579052 /nfs/dbraw/zinc/57/90/52/537579052.db2.gz IQYHRAAYCWUGME-KBPBESRZSA-N 1 1 360.487 1.597 50 0 FDAAMO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000244574826 537648307 /nfs/dbraw/zinc/64/83/07/537648307.db2.gz CSAVUDQEJAWKQO-ROUUACIJSA-N 1 1 361.486 1.945 50 0 FDAAMO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000244574826 537648310 /nfs/dbraw/zinc/64/83/10/537648310.db2.gz CSAVUDQEJAWKQO-ROUUACIJSA-N 1 1 361.486 1.945 50 0 FDAAMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1nn(C)cc1Br ZINC000295338587 537712284 /nfs/dbraw/zinc/71/22/84/537712284.db2.gz MNOKCOXGOPYHHU-NSHDSACASA-N 1 1 371.279 1.508 50 0 FDAAMO CS(=O)(=O)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000575546648 550465260 /nfs/dbraw/zinc/46/52/60/550465260.db2.gz XIDUQSSEQNHMQR-INIZCTEOSA-N 1 1 358.504 1.070 50 0 FDAAMO CS(=O)(=O)N1CCC([N@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000575546648 550465262 /nfs/dbraw/zinc/46/52/62/550465262.db2.gz XIDUQSSEQNHMQR-INIZCTEOSA-N 1 1 358.504 1.070 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N(Cc1cocn1)Cc1cocn1 ZINC000584884652 551564495 /nfs/dbraw/zinc/56/44/95/551564495.db2.gz ADBLQQZPEZLQQT-HOTGVXAUSA-N 1 1 363.418 1.482 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2ccc3[nH]cnc3c2)C[C@H]1CCO ZINC000584901622 551567385 /nfs/dbraw/zinc/56/73/85/551567385.db2.gz VVTUVNUOVYJNDM-MRXNPFEDSA-N 1 1 359.474 1.797 50 0 FDAAMO CC(C)C[N@@H+]1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C[C@H]1CCO ZINC000584901622 551567389 /nfs/dbraw/zinc/56/73/89/551567389.db2.gz VVTUVNUOVYJNDM-MRXNPFEDSA-N 1 1 359.474 1.797 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2ccc3nc[nH]c3c2)C[C@H]1CCO ZINC000584901622 551567391 /nfs/dbraw/zinc/56/73/91/551567391.db2.gz VVTUVNUOVYJNDM-MRXNPFEDSA-N 1 1 359.474 1.797 50 0 FDAAMO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)C1 ZINC000584900969 551567479 /nfs/dbraw/zinc/56/74/79/551567479.db2.gz FOWXPEKOUYZBFD-IBGZPJMESA-N 1 1 372.513 1.861 50 0 FDAAMO Cc1ccc2[nH]c(CNC(=O)N3CC[N@@H+](CC4CC4)[C@H](CCO)C3)nc2c1 ZINC000426538012 570614721 /nfs/dbraw/zinc/61/47/21/570614721.db2.gz AQRZRQUUUDETFM-MRXNPFEDSA-N 1 1 371.485 1.860 50 0 FDAAMO Cc1ccc2nc(CNC(=O)N3CC[N@H+](CC4CC4)[C@H](CCO)C3)[nH]c2c1 ZINC000426538012 570614722 /nfs/dbraw/zinc/61/47/22/570614722.db2.gz AQRZRQUUUDETFM-MRXNPFEDSA-N 1 1 371.485 1.860 50 0 FDAAMO Cc1ccc2nc(CNC(=O)N3CC[N@@H+](CC4CC4)[C@H](CCO)C3)[nH]c2c1 ZINC000426538012 570614724 /nfs/dbraw/zinc/61/47/24/570614724.db2.gz AQRZRQUUUDETFM-MRXNPFEDSA-N 1 1 371.485 1.860 50 0 FDAAMO Cn1nccc1[C@H]1COCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685943003 571103553 /nfs/dbraw/zinc/10/35/53/571103553.db2.gz ZNRSHPPVYQIGIJ-MRXNPFEDSA-N 1 1 358.446 1.166 50 0 FDAAMO COc1ccccc1CNC(=O)CC[N@@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000244898810 571119776 /nfs/dbraw/zinc/11/97/76/571119776.db2.gz ZBZHKPKEHBBRJP-ROUUACIJSA-N 1 1 361.486 1.233 50 0 FDAAMO COc1ccccc1CNC(=O)CC[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000244898810 571119777 /nfs/dbraw/zinc/11/97/77/571119777.db2.gz ZBZHKPKEHBBRJP-ROUUACIJSA-N 1 1 361.486 1.233 50 0 FDAAMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)on2)cnn1C ZINC000184416020 571128231 /nfs/dbraw/zinc/12/82/31/571128231.db2.gz YRKNXUCDLXJRHF-OAHLLOKOSA-N 1 1 373.457 1.454 50 0 FDAAMO c1csc(C[NH+]2CCN(c3nccc(N[C@H]4CCCOC4)n3)CC2)c1 ZINC000333284278 571147983 /nfs/dbraw/zinc/14/79/83/571147983.db2.gz QDPTXROVMPKVPN-HNNXBMFYSA-N 1 1 359.499 2.451 50 0 FDAAMO O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000299755786 571192132 /nfs/dbraw/zinc/19/21/32/571192132.db2.gz DQHNATLVPFYXGV-CQSZACIVSA-N 1 1 369.473 1.923 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC000299764447 571194353 /nfs/dbraw/zinc/19/43/53/571194353.db2.gz TTZJRTKJYMWZGT-SECBINFHSA-N 1 1 368.787 1.790 50 0 FDAAMO COc1cc2c(cc1CNc1cc([C@@H]3CCOC3)[nH+]c(N)n1)OCCO2 ZINC000299765361 571194642 /nfs/dbraw/zinc/19/46/42/571194642.db2.gz AIUJORQWRDKSLO-LLVKDONJSA-N 1 1 358.398 1.955 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000299767607 571195125 /nfs/dbraw/zinc/19/51/25/571195125.db2.gz ISHGKLJDCHIZEW-NSCUHMNNSA-N 1 1 358.417 1.814 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000299767607 571195126 /nfs/dbraw/zinc/19/51/26/571195126.db2.gz ISHGKLJDCHIZEW-NSCUHMNNSA-N 1 1 358.417 1.814 50 0 FDAAMO CCCc1nc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)cc(C)[nH+]1 ZINC000299769417 571195402 /nfs/dbraw/zinc/19/54/02/571195402.db2.gz NEHBIHDMBWPIIX-UHFFFAOYSA-N 1 1 364.475 1.321 50 0 FDAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCCn1cnc3ccccc3c1=O)C2 ZINC000299780847 571198067 /nfs/dbraw/zinc/19/80/67/571198067.db2.gz BUTLUWZDDHRSBN-JKSUJKDBSA-N 1 1 354.454 1.872 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000299790378 571200357 /nfs/dbraw/zinc/20/03/57/571200357.db2.gz ALHNKRVDWJNUGO-INIZCTEOSA-N 1 1 360.458 1.927 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000299794538 571201876 /nfs/dbraw/zinc/20/18/76/571201876.db2.gz KGTQEMPRXYKELZ-GOSISDBHSA-N 1 1 359.470 1.929 50 0 FDAAMO Cc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1OCCC[NH3+] ZINC000426361676 571215483 /nfs/dbraw/zinc/21/54/83/571215483.db2.gz JUBZHAXATSZJKU-UHFFFAOYSA-N 1 1 361.486 1.659 50 0 FDAAMO Cc1ncsc1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000426420605 571222882 /nfs/dbraw/zinc/22/28/82/571222882.db2.gz KWSOTBYHVIFQJD-HZPDHXFCSA-N 1 1 360.483 1.531 50 0 FDAAMO Cc1ncsc1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000426420605 571222884 /nfs/dbraw/zinc/22/28/84/571222884.db2.gz KWSOTBYHVIFQJD-HZPDHXFCSA-N 1 1 360.483 1.531 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000426606709 571233134 /nfs/dbraw/zinc/23/31/34/571233134.db2.gz GRBXLFPLTMIAKJ-MRXNPFEDSA-N 1 1 356.474 1.498 50 0 FDAAMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](CCCn4cnnn4)C3)C2=O)c1 ZINC000426685478 571235256 /nfs/dbraw/zinc/23/52/56/571235256.db2.gz XWPWMNRFUATBLG-HXUWFJFHSA-N 1 1 368.485 1.886 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091830344 671513253 /nfs/dbraw/zinc/51/32/53/671513253.db2.gz FDTQODHUBCXYNK-QGZVFWFLSA-N 1 1 354.882 1.443 50 0 FDAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2sccc2C)CC[C@@H]1c1nnc(C)[nH]1 ZINC000169782914 672041079 /nfs/dbraw/zinc/04/10/79/672041079.db2.gz XRWMRCDDORTGAY-UONOGXRCSA-N 1 1 363.487 1.604 50 0 FDAAMO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2ccc(Br)cc2)C[C@H]1CO ZINC000253410928 672598813 /nfs/dbraw/zinc/59/88/13/672598813.db2.gz NYFCWATYCYKREG-SWLSCSKDSA-N 1 1 353.260 1.768 50 0 FDAAMO COCC[N@@H+]1CCOC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@H]21 ZINC000257192607 672630721 /nfs/dbraw/zinc/63/07/21/672630721.db2.gz QTICXDFHEZVYFF-HUUCEWRRSA-N 1 1 353.488 1.569 50 0 FDAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)c3sc(C)nc3C)C[C@H]21 ZINC000257192607 672630728 /nfs/dbraw/zinc/63/07/28/672630728.db2.gz QTICXDFHEZVYFF-HUUCEWRRSA-N 1 1 353.488 1.569 50 0 FDAAMO Cc1cnc(N2CCC(Cn3cc(C[NH+]4CCCCC4)nn3)CC2)nc1N ZINC000023506161 786876617 /nfs/dbraw/zinc/87/66/17/786876617.db2.gz KTRSYCLKWNWPFB-UHFFFAOYSA-N 1 1 370.505 1.861 50 0 FDAAMO C[C@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000334111011 801126076 /nfs/dbraw/zinc/12/60/76/801126076.db2.gz BTRCTPZTEVUFQE-RDJZCZTQSA-N 1 1 353.470 1.653 50 0 FDAAMO C[C@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000334111011 801126081 /nfs/dbraw/zinc/12/60/81/801126081.db2.gz BTRCTPZTEVUFQE-RDJZCZTQSA-N 1 1 353.470 1.653 50 0 FDAAMO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195512829 809972775 /nfs/dbraw/zinc/97/27/75/809972775.db2.gz LAXORPYLDVKLLQ-MRXNPFEDSA-N 1 1 359.426 1.896 50 0 FDAAMO CCC[C@@]1(CO)CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000808794699 822484841 /nfs/dbraw/zinc/48/48/41/822484841.db2.gz CTTZNOWVGRLPLN-LJQANCHMSA-N 1 1 363.458 1.049 50 0 FDAAMO O[C@@H]1C[C@@H](c2nnc3n2CC[N@@H+](CC2CC2)C3)N(Cc2cccnc2)C1 ZINC000257183166 864481031 /nfs/dbraw/zinc/48/10/31/864481031.db2.gz HGEWGLKIBLNDEH-SJORKVTESA-N 1 1 354.458 1.207 50 0 FDAAMO O[C@@H]1C[C@@H](c2nnc3n2CC[N@H+](CC2CC2)C3)N(Cc2cccnc2)C1 ZINC000257183166 864481037 /nfs/dbraw/zinc/48/10/37/864481037.db2.gz HGEWGLKIBLNDEH-SJORKVTESA-N 1 1 354.458 1.207 50 0 FDAAMO C[NH+]1CCN(C(=O)C[C@H]2CCCN(c3cnn(CC4CC4)c(=O)c3)C2)CC1 ZINC000169765389 864497310 /nfs/dbraw/zinc/49/73/10/864497310.db2.gz DZCWZIVAXZPEBT-QGZVFWFLSA-N 1 1 373.501 1.034 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)NC(C)(C)C)CC2 ZINC000169787081 864517178 /nfs/dbraw/zinc/51/71/78/864517178.db2.gz MCUKRBPSKPPIIG-OAHLLOKOSA-N 1 1 366.506 1.140 50 0 FDAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)n[nH]2)c1 ZINC000011753450 893257665 /nfs/dbraw/zinc/25/76/65/893257665.db2.gz GLNNLGVDGFGKQA-ZDUSSCGKSA-N 1 1 356.426 1.967 50 0 FDAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)n[nH]2)c1 ZINC000011753450 893257672 /nfs/dbraw/zinc/25/76/72/893257672.db2.gz GLNNLGVDGFGKQA-ZDUSSCGKSA-N 1 1 356.426 1.967 50 0 FDAAMO C[N@H+]1CCC[C@H](NC(=O)N(CCCn2ccnc2)Cc2cccnc2)C1 ZINC000823770606 922047234 /nfs/dbraw/zinc/04/72/34/922047234.db2.gz IXOXDWQZKJDHMS-SFHVURJKSA-N 1 1 356.474 1.974 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCC2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000827812456 924751617 /nfs/dbraw/zinc/75/16/17/924751617.db2.gz MJENHNXIEDFEQL-KRWDZBQOSA-N 1 1 363.506 1.237 50 0 FDAAMO Cc1nnsc1C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H]1CCOC1)CCO2 ZINC000828234685 924862031 /nfs/dbraw/zinc/86/20/31/924862031.db2.gz DFXYEKIEHIOMTB-AWEZNQCLSA-N 1 1 366.487 1.190 50 0 FDAAMO CCN(CC)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802368 927586610 /nfs/dbraw/zinc/58/66/10/927586610.db2.gz GVXUZVDQHWEBGN-MRXNPFEDSA-N 1 1 366.506 1.093 50 0 FDAAMO O=C(N1CC[NH+](Cc2ccccc2)CC1)[C@]1(CCO)CC12CCOCC2 ZINC000581811238 927597281 /nfs/dbraw/zinc/59/72/81/927597281.db2.gz BWDHEDRGCCTWJL-NRFANRHFSA-N 1 1 358.482 1.900 50 0 FDAAMO COc1ccncc1CNC(=O)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000585085967 943927699 /nfs/dbraw/zinc/92/76/99/943927699.db2.gz RAPUXXNVNPTDOP-UHFFFAOYSA-N 1 1 358.417 1.911 50 0 FDAAMO Cc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC000952868105 960204763 /nfs/dbraw/zinc/20/47/63/960204763.db2.gz BLMJATMZDKZUAE-SJORKVTESA-N 1 1 358.486 1.135 50 0 FDAAMO CCOc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1F ZINC000952869753 960213681 /nfs/dbraw/zinc/21/36/81/960213681.db2.gz ZSCCMZYORSKZEZ-JSGCOSHPSA-N 1 1 351.422 1.599 50 0 FDAAMO Cc1nc(C[N@@H+]2CCC[C@@H](CNC(=O)CN3CCOC3=O)C2)cs1 ZINC000952971067 960265227 /nfs/dbraw/zinc/26/52/27/960265227.db2.gz FFTDNIZAGUODTJ-ZDUSSCGKSA-N 1 1 352.460 1.232 50 0 FDAAMO Cc1nc(C[N@H+]2CCC[C@@H](CNC(=O)CN3CCOC3=O)C2)cs1 ZINC000952971067 960265230 /nfs/dbraw/zinc/26/52/30/960265230.db2.gz FFTDNIZAGUODTJ-ZDUSSCGKSA-N 1 1 352.460 1.232 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000952968280 960283709 /nfs/dbraw/zinc/28/37/09/960283709.db2.gz BMLRCSSAMZGEPB-LBPRGKRZSA-N 1 1 360.389 1.294 50 0 FDAAMO O=C(CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1)Nc1nncs1 ZINC000952985859 960305111 /nfs/dbraw/zinc/30/51/11/960305111.db2.gz BBFNIATYERNDSL-CQSZACIVSA-N 1 1 374.470 1.433 50 0 FDAAMO O=C(CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1nncs1 ZINC000952985859 960305116 /nfs/dbraw/zinc/30/51/16/960305116.db2.gz BBFNIATYERNDSL-CQSZACIVSA-N 1 1 374.470 1.433 50 0 FDAAMO Nc1cc[nH+]c(N2CCC3(CC2)CN(C(=O)Cc2cccs2)CCO3)n1 ZINC000952987426 960310925 /nfs/dbraw/zinc/31/09/25/960310925.db2.gz MCRLNTQIJOYTDD-UHFFFAOYSA-N 1 1 373.482 1.561 50 0 FDAAMO CNC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](C(C)C)CC2)ccc1OC ZINC000952988532 960312052 /nfs/dbraw/zinc/31/20/52/960312052.db2.gz JLCCZZSJOQPHBX-UHFFFAOYSA-N 1 1 369.487 1.160 50 0 FDAAMO Cc1nc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n(C)n1 ZINC000092062014 1007046722 /nfs/dbraw/zinc/04/67/22/1007046722.db2.gz GWLOBXRVMSAXBH-IBGZPJMESA-N 1 1 360.506 1.032 50 0 FDAAMO C[C@H](CCNC(=O)c1cccc(-c2ccc(=O)n(C)n2)c1)[NH+]1CCOCC1 ZINC000534636242 540393204 /nfs/dbraw/zinc/39/32/04/540393204.db2.gz REAZTSNHBCYJRT-OAHLLOKOSA-N 1 1 370.453 1.288 50 0 FDAAMO Cc1cc2c(cc1CN1CC[N@H+](C)[C@@]3(C1)CCNC(=O)CC3)OCCO2 ZINC000107651617 209278584 /nfs/dbraw/zinc/27/85/84/209278584.db2.gz HBHWCOQLSVPLAN-HXUWFJFHSA-N 1 1 359.470 1.553 50 0 FDAAMO Nc1ncc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(-c2ccccc2)n1 ZINC000097785578 209196427 /nfs/dbraw/zinc/19/64/27/209196427.db2.gz IEMLRQIKJHPCKQ-OAHLLOKOSA-N 1 1 355.442 1.302 50 0 FDAAMO Cc1nn(C)cc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000097711580 209192341 /nfs/dbraw/zinc/19/23/41/209192341.db2.gz DNIBTYBTJLVZNI-IPFXWSOASA-N 1 1 365.481 1.026 50 0 FDAAMO OC[C@H]1CN(Cc2c[nH]cn2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097601059 209188892 /nfs/dbraw/zinc/18/88/92/209188892.db2.gz WWBKNPZGYVDUBE-GOSISDBHSA-N 1 1 372.517 1.593 50 0 FDAAMO CN1CCc2n[nH]c(C(=O)N[C@H]3CCC[N@@H+](Cc4cccs4)C3)c2C1 ZINC000097601070 209188585 /nfs/dbraw/zinc/18/85/85/209188585.db2.gz IUMGWSJBSBWWIH-ZDUSSCGKSA-N 1 1 359.499 1.854 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000097087895 209169221 /nfs/dbraw/zinc/16/92/21/209169221.db2.gz IYEHFGAKPKPCKX-MRXNPFEDSA-N 1 1 352.442 1.873 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)COc2ccc(F)cc2)C[N@@H+]1C ZINC000096163942 209129389 /nfs/dbraw/zinc/12/93/89/209129389.db2.gz ANPAGGKMVANYPV-HOCLYGCPSA-N 1 1 351.422 1.262 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)COc2ccc(F)cc2)C[N@H+]1C ZINC000096163942 209129390 /nfs/dbraw/zinc/12/93/90/209129390.db2.gz ANPAGGKMVANYPV-HOCLYGCPSA-N 1 1 351.422 1.262 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)Cc2cccnc2)C[N@H+]1C1CCCC1 ZINC000096133505 209117196 /nfs/dbraw/zinc/11/71/96/209117196.db2.gz ZKCHWNNRDYKGAO-HKUYNNGSSA-N 1 1 372.513 1.994 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000016482813 220185248 /nfs/dbraw/zinc/18/52/48/220185248.db2.gz GSGSVSHHYWUAIE-CYBMUJFWSA-N 1 1 363.414 1.618 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000016482813 220185252 /nfs/dbraw/zinc/18/52/52/220185252.db2.gz GSGSVSHHYWUAIE-CYBMUJFWSA-N 1 1 363.414 1.618 50 0 FDAAMO CCCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000004712021 207040514 /nfs/dbraw/zinc/04/05/14/207040514.db2.gz SWNJAPBJORMZSP-INIZCTEOSA-N 1 1 373.563 1.819 50 0 FDAAMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCCC[C@H]2C)c(=O)[nH]c1=O ZINC000007525028 207198070 /nfs/dbraw/zinc/19/80/70/207198070.db2.gz WQEWKERAESHGDD-CYBMUJFWSA-N 1 1 365.478 1.146 50 0 FDAAMO COC(=O)CN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000011662931 207317534 /nfs/dbraw/zinc/31/75/34/207317534.db2.gz VUWJSSRBQIFIQQ-MRXNPFEDSA-N 1 1 368.474 1.380 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCc1ccco1 ZINC000012051647 207334892 /nfs/dbraw/zinc/33/48/92/207334892.db2.gz ZWMHZHKPARBJLX-LJQANCHMSA-N 1 1 367.449 1.296 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCc1ccco1 ZINC000012051647 207334896 /nfs/dbraw/zinc/33/48/96/207334896.db2.gz ZWMHZHKPARBJLX-LJQANCHMSA-N 1 1 367.449 1.296 50 0 FDAAMO CCCC[C@@H]1C[N@H+](CCNC(=O)Cn2cnnn2)Cc2ccccc2O1 ZINC000011880757 207328028 /nfs/dbraw/zinc/32/80/28/207328028.db2.gz MQUIISXUIRJNOM-MRXNPFEDSA-N 1 1 358.446 1.243 50 0 FDAAMO CCCC[C@@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)Cc2ccccc2O1 ZINC000011880757 207328031 /nfs/dbraw/zinc/32/80/31/207328031.db2.gz MQUIISXUIRJNOM-MRXNPFEDSA-N 1 1 358.446 1.243 50 0 FDAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(O)cc1)CC2 ZINC000012130738 207340393 /nfs/dbraw/zinc/34/03/93/207340393.db2.gz NBUYZMRFEQHCGE-CQSZACIVSA-N 1 1 373.457 1.256 50 0 FDAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cn1cnnn1 ZINC000012453461 207378293 /nfs/dbraw/zinc/37/82/93/207378293.db2.gz FFJYMOZVANZJLM-QGZVFWFLSA-N 1 1 374.464 1.615 50 0 FDAAMO C[C@H](NC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc2c(c1)CCCC2 ZINC000032802739 208045153 /nfs/dbraw/zinc/04/51/53/208045153.db2.gz IPKOKRUBVCQWNF-AWEZNQCLSA-N 1 1 358.486 1.875 50 0 FDAAMO CCC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(OC)c(OC)c1 ZINC000036095570 208143676 /nfs/dbraw/zinc/14/36/76/208143676.db2.gz XLEMNOPYVOKGOU-SFHVURJKSA-N 1 1 366.502 1.999 50 0 FDAAMO CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C[C@H](O)COC ZINC000036159929 208150056 /nfs/dbraw/zinc/15/00/56/208150056.db2.gz OLFPKQNAGSAQOH-NSHDSACASA-N 1 1 351.472 1.693 50 0 FDAAMO CCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C[C@H](O)COC ZINC000036159929 208150061 /nfs/dbraw/zinc/15/00/61/208150061.db2.gz OLFPKQNAGSAQOH-NSHDSACASA-N 1 1 351.472 1.693 50 0 FDAAMO CN1CC[N@@H+](C)[C@H](CC(=O)N2CCC(CO)(CCc3ccccc3)CC2)C1 ZINC000039532163 208212586 /nfs/dbraw/zinc/21/25/86/208212586.db2.gz BPEXCXBQQXILSS-HXUWFJFHSA-N 1 1 373.541 1.856 50 0 FDAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000039532163 208212594 /nfs/dbraw/zinc/21/25/94/208212594.db2.gz BPEXCXBQQXILSS-HXUWFJFHSA-N 1 1 373.541 1.856 50 0 FDAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000039532163 208212596 /nfs/dbraw/zinc/21/25/96/208212596.db2.gz BPEXCXBQQXILSS-HXUWFJFHSA-N 1 1 373.541 1.856 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000040051024 208218357 /nfs/dbraw/zinc/21/83/57/208218357.db2.gz XXYSOUBQVYMSJX-UHFFFAOYSA-N 1 1 351.450 1.957 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000040047448 208219442 /nfs/dbraw/zinc/21/94/42/208219442.db2.gz TUCREPRRHJSWAW-GASCZTMLSA-N 1 1 365.518 1.639 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000040047448 208219446 /nfs/dbraw/zinc/21/94/46/208219446.db2.gz TUCREPRRHJSWAW-GASCZTMLSA-N 1 1 365.518 1.639 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Cc2n[nH]c(=O)c3ccccc23)ccn1 ZINC000048304234 208397824 /nfs/dbraw/zinc/39/78/24/208397824.db2.gz CQTBBMNAPWNBQR-UHFFFAOYSA-N 1 1 374.404 1.671 50 0 FDAAMO Cc1nc(-c2ccccc2)sc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000048326264 208399420 /nfs/dbraw/zinc/39/94/20/208399420.db2.gz CBTQRSNNJITFBG-UHFFFAOYSA-N 1 1 358.467 1.798 50 0 FDAAMO CN1CC2(CC[NH+](CC(=O)NCCc3ccc(Cl)cc3)CC2)OC1=O ZINC000077380242 208902756 /nfs/dbraw/zinc/90/27/56/208902756.db2.gz UMKJSWSEBDQZLV-UHFFFAOYSA-N 1 1 365.861 1.915 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 ZINC000091847706 209000721 /nfs/dbraw/zinc/00/07/21/209000721.db2.gz OMNVMBCXQZGNSP-HUUCEWRRSA-N 1 1 354.454 1.880 50 0 FDAAMO Cc1cc2cc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)ccc2o1 ZINC000091876856 209001507 /nfs/dbraw/zinc/00/15/07/209001507.db2.gz AAPAHHYTEGOVDV-RTBURBONSA-N 1 1 373.497 1.915 50 0 FDAAMO Cc1cc2cc(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)ccc2o1 ZINC000091876856 209001509 /nfs/dbraw/zinc/00/15/09/209001509.db2.gz AAPAHHYTEGOVDV-RTBURBONSA-N 1 1 373.497 1.915 50 0 FDAAMO Cc1cccc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091892732 209002054 /nfs/dbraw/zinc/00/20/54/209002054.db2.gz SNYSYLFBZHCGAC-QGZVFWFLSA-N 1 1 370.497 1.939 50 0 FDAAMO C[C@H](C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)n1cncn1 ZINC000091907557 209004488 /nfs/dbraw/zinc/00/44/88/209004488.db2.gz ATSNTXPBQKCYBH-OAHLLOKOSA-N 1 1 371.489 1.890 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(C)c1)CC2 ZINC000091943589 209005503 /nfs/dbraw/zinc/00/55/03/209005503.db2.gz VIVKRGWEMXEEHU-UHFFFAOYSA-N 1 1 356.474 1.933 50 0 FDAAMO CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc1 ZINC000091965050 209006755 /nfs/dbraw/zinc/00/67/55/209006755.db2.gz FORSRFUTCXFCEU-GOEBONIOSA-N 1 1 365.499 1.541 50 0 FDAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000091951194 209008319 /nfs/dbraw/zinc/00/83/19/209008319.db2.gz IIWWPJNQQQEWFU-KRWDZBQOSA-N 1 1 371.489 1.750 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000091997206 209008820 /nfs/dbraw/zinc/00/88/20/209008820.db2.gz BJKBHHBKLSQWOK-AZUAARDMSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cccc(-n3cccn3)c1)C2 ZINC000091997206 209008824 /nfs/dbraw/zinc/00/88/24/209008824.db2.gz BJKBHHBKLSQWOK-AZUAARDMSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cccc(-n3cccn3)c1)C2 ZINC000091997206 209008827 /nfs/dbraw/zinc/00/88/27/209008827.db2.gz BJKBHHBKLSQWOK-AZUAARDMSA-N 1 1 367.497 1.857 50 0 FDAAMO O=C(CCOc1ccccc1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091997373 209009987 /nfs/dbraw/zinc/00/99/87/209009987.db2.gz RCAZHGGEZNIFNN-MSOLQXFVSA-N 1 1 362.470 1.245 50 0 FDAAMO O=C(CCc1nc(Cl)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000092028955 209013679 /nfs/dbraw/zinc/01/36/79/209013679.db2.gz SUYDBMLJCLJFCE-LSDHHAIUSA-N 1 1 374.876 1.909 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C[C@]12CCNC(=O)CC2 ZINC000095358385 209026350 /nfs/dbraw/zinc/02/63/50/209026350.db2.gz CQQUZUKXLIAYIX-SFHVURJKSA-N 1 1 373.482 1.565 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](CC(=O)N3CCCCCC3)C2)C1=O ZINC000092065594 209015002 /nfs/dbraw/zinc/01/50/02/209015002.db2.gz BBGHZBFYHMCCSI-LJQANCHMSA-N 1 1 351.491 1.350 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2c(F)ccc(OC)c2F)C[C@@H]1CO ZINC000095387904 209045882 /nfs/dbraw/zinc/04/58/82/209045882.db2.gz FUVYEJZDVIULPK-CHWSQXEVSA-N 1 1 372.412 1.232 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1c3ccccc3oc1=O)C2 ZINC000095374555 209037369 /nfs/dbraw/zinc/03/73/69/209037369.db2.gz YPOKWZBOAJIQSP-HUUCEWRRSA-N 1 1 359.426 1.164 50 0 FDAAMO Cc1nccn1CCC[N@@H+]1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095380450 209040073 /nfs/dbraw/zinc/04/00/73/209040073.db2.gz WZTQNAGBUFNHHS-KRWDZBQOSA-N 1 1 368.489 1.835 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(CCN2CCOCC2)CC1 ZINC000095512972 209070691 /nfs/dbraw/zinc/07/06/91/209070691.db2.gz YCDAGJNRTSEHER-QGZVFWFLSA-N 1 1 363.506 1.044 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095516492 209070762 /nfs/dbraw/zinc/07/07/62/209070762.db2.gz UIHSAQUHQMCEQU-GOSISDBHSA-N 1 1 371.485 1.611 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095516492 209070765 /nfs/dbraw/zinc/07/07/65/209070765.db2.gz UIHSAQUHQMCEQU-GOSISDBHSA-N 1 1 371.485 1.611 50 0 FDAAMO Nc1cc[nH+]c(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)n1 ZINC000091736296 132203463 /nfs/dbraw/zinc/20/34/63/132203463.db2.gz LLRJJFMWSLPQEN-UHFFFAOYSA-N 1 1 365.445 1.614 50 0 FDAAMO O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(c2ccccn2)CC1 ZINC000002686775 132253839 /nfs/dbraw/zinc/25/38/39/132253839.db2.gz UJUYGFIKWWXXJU-HNNXBMFYSA-N 1 1 357.410 1.372 50 0 FDAAMO Cc1ccc2cc(CN3CC[C@@H]([NH3+])C3)c(N3CCN(CCO)CC3)nc2c1 ZINC000216516530 132271563 /nfs/dbraw/zinc/27/15/63/132271563.db2.gz YUBGYTMXAZSWBX-LJQANCHMSA-N 1 1 369.513 1.191 50 0 FDAAMO CNc1cc[nH+]c(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1 ZINC000299787330 132299735 /nfs/dbraw/zinc/29/97/35/132299735.db2.gz VZEXAFBFKGUYGH-UHFFFAOYSA-N 1 1 355.446 1.541 50 0 FDAAMO OCC[NH+]1CCN(c2nc3ccccc3c(NC[C@@H]3CCCO3)n2)CC1 ZINC000000808325 132378631 /nfs/dbraw/zinc/37/86/31/132378631.db2.gz FAPMUKZLPNFZGY-HNNXBMFYSA-N 1 1 357.458 1.335 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000012304517 132855696 /nfs/dbraw/zinc/85/56/96/132855696.db2.gz AHYUAIPXLJAXGL-QGZVFWFLSA-N 1 1 362.449 1.073 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000012304517 132855698 /nfs/dbraw/zinc/85/56/98/132855698.db2.gz AHYUAIPXLJAXGL-QGZVFWFLSA-N 1 1 362.449 1.073 50 0 FDAAMO CC[NH+]1CCN(c2ncc3c(ccn(Cc4cccnc4)c3=O)n2)CC1 ZINC000039404017 136118953 /nfs/dbraw/zinc/11/89/53/136118953.db2.gz JYFDPXLZWVTQQJ-UHFFFAOYSA-N 1 1 350.426 1.377 50 0 FDAAMO CS(=O)(=O)NCCC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000058162957 136130456 /nfs/dbraw/zinc/13/04/56/136130456.db2.gz DWBMUSVDMFFCTR-UHFFFAOYSA-N 1 1 366.409 1.162 50 0 FDAAMO CNC(=O)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCO1 ZINC000181620325 174236968 /nfs/dbraw/zinc/23/69/68/174236968.db2.gz VTCQDAUBNPDWGU-SJORKVTESA-N 1 1 366.506 1.188 50 0 FDAAMO CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCO1 ZINC000181620286 174237153 /nfs/dbraw/zinc/23/71/53/174237153.db2.gz VTCQDAUBNPDWGU-IRXDYDNUSA-N 1 1 366.506 1.188 50 0 FDAAMO Cc1nnc(CN(C)CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n1C ZINC000329078611 259075914 /nfs/dbraw/zinc/07/59/14/259075914.db2.gz QNHUATPEXXQTRY-KRWDZBQOSA-N 1 1 356.474 1.071 50 0 FDAAMO Cc1nnc(CN(C)CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1C ZINC000329078611 259075915 /nfs/dbraw/zinc/07/59/15/259075915.db2.gz QNHUATPEXXQTRY-KRWDZBQOSA-N 1 1 356.474 1.071 50 0 FDAAMO Cn1c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)cc2cc(F)ccc21 ZINC000426562873 263634748 /nfs/dbraw/zinc/63/47/48/263634748.db2.gz KCSGYFGQIWYMKU-UHFFFAOYSA-N 1 1 372.444 1.744 50 0 FDAAMO C[NH+](C)CCCNC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000009421550 518507156 /nfs/dbraw/zinc/50/71/56/518507156.db2.gz XBOXJRWLAAVJCW-UHFFFAOYSA-N 1 1 365.869 1.291 50 0 FDAAMO CCCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010387019 518535063 /nfs/dbraw/zinc/53/50/63/518535063.db2.gz GMKXEOITPPFTRW-LBPRGKRZSA-N 1 1 362.434 1.100 50 0 FDAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@H+](C)CC2 ZINC000012037528 518583269 /nfs/dbraw/zinc/58/32/69/518583269.db2.gz RYNWGQNDXLIFEU-UHFFFAOYSA-N 1 1 371.437 1.529 50 0 FDAAMO COC(=O)c1c(OCCCc2cccnc2)cc(=O)n2c1CC[N@@H+](C)CC2 ZINC000012037528 518583278 /nfs/dbraw/zinc/58/32/78/518583278.db2.gz RYNWGQNDXLIFEU-UHFFFAOYSA-N 1 1 371.437 1.529 50 0 FDAAMO CS(=O)(=O)NC1=NC2=[NH+][C@@H](c3ccccc3)C[C@H](c3ccccc3)N2N1 ZINC000013122575 518650691 /nfs/dbraw/zinc/65/06/91/518650691.db2.gz KISCFENOGNFEAC-HZPDHXFCSA-N 1 1 369.450 1.954 50 0 FDAAMO CCCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000013371598 518656702 /nfs/dbraw/zinc/65/67/02/518656702.db2.gz PXGDBTPIGIDULS-GJZGRUSLSA-N 1 1 363.476 1.545 50 0 FDAAMO CSCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000014977050 518702930 /nfs/dbraw/zinc/70/29/30/518702930.db2.gz HZMQDGUDTMWSMF-KRWDZBQOSA-N 1 1 361.511 1.214 50 0 FDAAMO CSCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000014977050 518702937 /nfs/dbraw/zinc/70/29/37/518702937.db2.gz HZMQDGUDTMWSMF-KRWDZBQOSA-N 1 1 361.511 1.214 50 0 FDAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000015523743 518724760 /nfs/dbraw/zinc/72/47/60/518724760.db2.gz OGNOLEZWJKOMFO-AWEZNQCLSA-N 1 1 358.442 1.965 50 0 FDAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000015523743 518724767 /nfs/dbraw/zinc/72/47/67/518724767.db2.gz OGNOLEZWJKOMFO-AWEZNQCLSA-N 1 1 358.442 1.965 50 0 FDAAMO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000017075462 518775486 /nfs/dbraw/zinc/77/54/86/518775486.db2.gz KXSWGCKPPBBLBT-NXEZZACHSA-N 1 1 367.471 1.858 50 0 FDAAMO OCc1cn(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)nn1 ZINC000019146287 518803702 /nfs/dbraw/zinc/80/37/02/518803702.db2.gz FMEWFJCLIJMBID-QGZVFWFLSA-N 1 1 352.442 1.868 50 0 FDAAMO CC(C)[NH+]1CCN(C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000019218498 518804591 /nfs/dbraw/zinc/80/45/91/518804591.db2.gz LQDIHGYRUBVUME-HXUWFJFHSA-N 1 1 351.535 1.946 50 0 FDAAMO O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CC[NH+](CCO)CC1 ZINC000019884202 518839534 /nfs/dbraw/zinc/83/95/34/518839534.db2.gz VHLMPRQSDCTEGC-UHFFFAOYSA-N 1 1 371.220 1.850 50 0 FDAAMO COc1ccc(-n2ncc3c2ncnc3NCCC[NH+]2CCOCC2)cc1 ZINC000020150209 518845043 /nfs/dbraw/zinc/84/50/43/518845043.db2.gz CWAWGHLJWDLHJP-UHFFFAOYSA-N 1 1 368.441 1.958 50 0 FDAAMO O=C(Cn1nnc2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020426267 518848554 /nfs/dbraw/zinc/84/85/54/518848554.db2.gz PTEMCQZWCDDHCI-UHFFFAOYSA-N 1 1 363.421 1.136 50 0 FDAAMO CN1CCC[N@@H+](C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000020909201 518860364 /nfs/dbraw/zinc/86/03/64/518860364.db2.gz IRHYVMKGKPDCFN-IBGZPJMESA-N 1 1 367.440 1.456 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000020909201 518860369 /nfs/dbraw/zinc/86/03/69/518860369.db2.gz IRHYVMKGKPDCFN-IBGZPJMESA-N 1 1 367.440 1.456 50 0 FDAAMO C[N@H+]1CCCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000020909201 518860376 /nfs/dbraw/zinc/86/03/76/518860376.db2.gz IRHYVMKGKPDCFN-IBGZPJMESA-N 1 1 367.440 1.456 50 0 FDAAMO COC(=O)c1cc2oc3ccccc3c2n1C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000022028422 518890338 /nfs/dbraw/zinc/89/03/38/518890338.db2.gz UIENJSLFIPQCGC-AWEZNQCLSA-N 1 1 371.437 1.782 50 0 FDAAMO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000022929550 518921177 /nfs/dbraw/zinc/92/11/77/518921177.db2.gz DIUZDHGSEVJQSG-CQSZACIVSA-N 1 1 362.449 1.439 50 0 FDAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)CC1 ZINC000023375278 518948385 /nfs/dbraw/zinc/94/83/85/518948385.db2.gz XDDIPPVIJMSRIZ-INIZCTEOSA-N 1 1 373.457 1.961 50 0 FDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000024606350 518999247 /nfs/dbraw/zinc/99/92/47/518999247.db2.gz GGNXEIPFGAUQIF-UHFFFAOYSA-N 1 1 371.528 1.313 50 0 FDAAMO CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000024926165 519023334 /nfs/dbraw/zinc/02/33/34/519023334.db2.gz AHVWOPTYCGKEFD-UHFFFAOYSA-N 1 1 365.499 1.390 50 0 FDAAMO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000024926165 519023343 /nfs/dbraw/zinc/02/33/43/519023343.db2.gz AHVWOPTYCGKEFD-UHFFFAOYSA-N 1 1 365.499 1.390 50 0 FDAAMO COC(=O)c1ccc2c(c1)[nH]c(=O)n(C[C@H](c1ccco1)[NH+](C)C)c2=O ZINC000024939730 519025632 /nfs/dbraw/zinc/02/56/32/519025632.db2.gz IJDOAZJFHUEIHQ-CQSZACIVSA-N 1 1 357.366 1.785 50 0 FDAAMO O=C(CN1CC[NH+](Cc2cccc3cccnc32)CC1)N1CCOCC1 ZINC000025435003 519062092 /nfs/dbraw/zinc/06/20/92/519062092.db2.gz ISTXXQKVSYTZBY-UHFFFAOYSA-N 1 1 354.454 1.211 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030003 519344295 /nfs/dbraw/zinc/34/42/95/519344295.db2.gz MJLBFBMRULYOLH-IBGZPJMESA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2c(=O)cnc3ccccc32)[C@H](c2ccccc2)C1 ZINC000030030003 519344300 /nfs/dbraw/zinc/34/43/00/519344300.db2.gz MJLBFBMRULYOLH-IBGZPJMESA-N 1 1 362.433 1.912 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cnc(N3CCOCC3)c3ccccc23)CC1 ZINC000033072989 519570017 /nfs/dbraw/zinc/57/00/17/519570017.db2.gz BBFDXCMXYJCZFL-UHFFFAOYSA-N 1 1 354.454 1.849 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000020449182 521662075 /nfs/dbraw/zinc/66/20/75/521662075.db2.gz OKROZKFXIROHSM-QGZVFWFLSA-N 1 1 351.491 1.348 50 0 FDAAMO CCCn1ncc(CN2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1C ZINC000091391426 521672516 /nfs/dbraw/zinc/67/25/16/521672516.db2.gz CSYVOUCLRIDKLD-FQEVSTJZSA-N 1 1 364.534 1.897 50 0 FDAAMO CCCn1ncc(C[N@@H+]2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c1C ZINC000091391426 521672520 /nfs/dbraw/zinc/67/25/20/521672520.db2.gz CSYVOUCLRIDKLD-FQEVSTJZSA-N 1 1 364.534 1.897 50 0 FDAAMO CCCn1ncc(C[N@H+]2CC[C@](O)(CN3CCOCC3)C(C)(C)C2)c1C ZINC000091391426 521672522 /nfs/dbraw/zinc/67/25/22/521672522.db2.gz CSYVOUCLRIDKLD-FQEVSTJZSA-N 1 1 364.534 1.897 50 0 FDAAMO CN(C)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071385519 522109985 /nfs/dbraw/zinc/10/99/85/522109985.db2.gz KBBQPJQNNPOKJX-MRXNPFEDSA-N 1 1 373.501 1.556 50 0 FDAAMO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)N(C)Cc3nccn3C)C2)CC1 ZINC000071422256 522115356 /nfs/dbraw/zinc/11/53/56/522115356.db2.gz UBHDJEIGUOJKCX-KRWDZBQOSA-N 1 1 361.534 1.963 50 0 FDAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)N(C)Cc3nccn3C)C2)CC1 ZINC000071422256 522115366 /nfs/dbraw/zinc/11/53/66/522115366.db2.gz UBHDJEIGUOJKCX-KRWDZBQOSA-N 1 1 361.534 1.963 50 0 FDAAMO O=C(NCCCCO)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071745436 522121107 /nfs/dbraw/zinc/12/11/07/522121107.db2.gz RSPDGXUPHHJFJU-IBGZPJMESA-N 1 1 374.529 1.647 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC000071750228 522125100 /nfs/dbraw/zinc/12/51/00/522125100.db2.gz KVEYKCNEQRBPLK-AWEZNQCLSA-N 1 1 372.469 1.382 50 0 FDAAMO CN(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000072130848 522159024 /nfs/dbraw/zinc/15/90/24/522159024.db2.gz URGIILJDFHRSBN-GOSISDBHSA-N 1 1 356.474 1.365 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000072130848 522159033 /nfs/dbraw/zinc/15/90/33/522159033.db2.gz URGIILJDFHRSBN-GOSISDBHSA-N 1 1 356.474 1.365 50 0 FDAAMO COCCc1noc([C@@H]2CCC[N@@H+](CC(C)(C)CN3CCOCC3)C2)n1 ZINC000072129484 522160042 /nfs/dbraw/zinc/16/00/42/522160042.db2.gz CHPSCRXIPCCZGA-MRXNPFEDSA-N 1 1 366.506 1.796 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1ccco1)Cc1ccncc1 ZINC000072135356 522163476 /nfs/dbraw/zinc/16/34/76/522163476.db2.gz JKGYLLYGEXMYQN-GOSISDBHSA-N 1 1 370.453 1.802 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1ccco1)Cc1ccncc1 ZINC000072135356 522163489 /nfs/dbraw/zinc/16/34/89/522163489.db2.gz JKGYLLYGEXMYQN-GOSISDBHSA-N 1 1 370.453 1.802 50 0 FDAAMO Fc1ccc(OCCCN2CCN(Cc3cc4n(n3)CC[NH2+]C4)CC2)cc1 ZINC000072141675 522167669 /nfs/dbraw/zinc/16/76/69/522167669.db2.gz BFGWWTWHLNOUAN-UHFFFAOYSA-N 1 1 373.476 1.712 50 0 FDAAMO CC(C)c1nc2c(cnn2C)c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000072150818 522178101 /nfs/dbraw/zinc/17/81/01/522178101.db2.gz YOPXLKRFAMFXKE-ZDUSSCGKSA-N 1 1 359.478 1.486 50 0 FDAAMO CC(=O)NC[C@@H]1CCC2(CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)O1 ZINC000072164678 522192628 /nfs/dbraw/zinc/19/26/28/522192628.db2.gz XBJAEERMYOGKAL-SFHVURJKSA-N 1 1 361.490 1.026 50 0 FDAAMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(CC(=O)NC3CC3)C1)CC2 ZINC000072172465 522198960 /nfs/dbraw/zinc/19/89/60/522198960.db2.gz PZQZTWWEHACFJB-SFHVURJKSA-N 1 1 373.497 1.805 50 0 FDAAMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](CC(=O)NC3CC3)C1)CC2 ZINC000072172465 522198973 /nfs/dbraw/zinc/19/89/73/522198973.db2.gz PZQZTWWEHACFJB-SFHVURJKSA-N 1 1 373.497 1.805 50 0 FDAAMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](CC(=O)NC3CC3)C1)CC2 ZINC000072172465 522198985 /nfs/dbraw/zinc/19/89/85/522198985.db2.gz PZQZTWWEHACFJB-SFHVURJKSA-N 1 1 373.497 1.805 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cc1 ZINC000058215579 522224669 /nfs/dbraw/zinc/22/46/69/522224669.db2.gz OXIWWJIBXIODKB-UHFFFAOYSA-N 1 1 365.437 1.967 50 0 FDAAMO O=C(NCc1noc(-c2c(F)cccc2F)n1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072409737 522243322 /nfs/dbraw/zinc/24/33/22/522243322.db2.gz HWSWCMNOWPTOAY-AWEZNQCLSA-N 1 1 360.324 1.241 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 ZINC000072457830 522285266 /nfs/dbraw/zinc/28/52/66/522285266.db2.gz ICIULFMQMXNXFT-UHFFFAOYSA-N 1 1 352.438 1.914 50 0 FDAAMO Cc1c(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)c(=O)n(-c2ccccc2)n1C ZINC000072472971 522293007 /nfs/dbraw/zinc/29/30/07/522293007.db2.gz DIJPFQLHMOCCMZ-FQEVSTJZSA-N 1 1 370.453 1.901 50 0 FDAAMO O=C(COc1ccc2c(c1)OCO2)N[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072474494 522295479 /nfs/dbraw/zinc/29/54/79/522295479.db2.gz GJQASZQAYNJPGX-MRXNPFEDSA-N 1 1 369.421 1.970 50 0 FDAAMO O=C(COc1ccc2c(c1)OCO2)N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072474494 522295485 /nfs/dbraw/zinc/29/54/85/522295485.db2.gz GJQASZQAYNJPGX-MRXNPFEDSA-N 1 1 369.421 1.970 50 0 FDAAMO CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072477197 522301490 /nfs/dbraw/zinc/30/14/90/522301490.db2.gz ZKFKOPXHPCOYDL-GOSISDBHSA-N 1 1 368.441 1.573 50 0 FDAAMO CCCS(=O)(=O)N1CCC(n2cc(C[N@@H+](CC)C(C)C)nn2)CC1 ZINC000063832834 522659443 /nfs/dbraw/zinc/65/94/43/522659443.db2.gz RVZJOZVHYRVEGC-UHFFFAOYSA-N 1 1 357.524 1.885 50 0 FDAAMO Nc1nnc(SCC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)s1 ZINC000063846874 522660903 /nfs/dbraw/zinc/66/09/03/522660903.db2.gz AIPKFWLGGOSZFZ-UHFFFAOYSA-N 1 1 364.500 1.342 50 0 FDAAMO Nc1nnc(SCC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)s1 ZINC000063846874 522660917 /nfs/dbraw/zinc/66/09/17/522660917.db2.gz AIPKFWLGGOSZFZ-UHFFFAOYSA-N 1 1 364.500 1.342 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC000082138550 522766739 /nfs/dbraw/zinc/76/67/39/522766739.db2.gz UUWPDBYEDVQJJU-OAHLLOKOSA-N 1 1 364.490 1.557 50 0 FDAAMO NC(=O)C1CC[NH+](Cc2nc(-c3ccc(N4CCCC4)nc3)no2)CC1 ZINC000065215853 522789374 /nfs/dbraw/zinc/78/93/74/522789374.db2.gz VMSGFVLVXMWJJK-UHFFFAOYSA-N 1 1 356.430 1.429 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCn3nc(C)cc3C)C2)cn1 ZINC000065267359 522797979 /nfs/dbraw/zinc/79/79/79/522797979.db2.gz QFQAHKNLFNIGCE-KRWDZBQOSA-N 1 1 357.458 1.684 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)CCn3nc(C)cc3C)C2)cn1 ZINC000065267359 522797985 /nfs/dbraw/zinc/79/79/85/522797985.db2.gz QFQAHKNLFNIGCE-KRWDZBQOSA-N 1 1 357.458 1.684 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)cc(N(C)C)[nH+]1 ZINC000065364432 522809958 /nfs/dbraw/zinc/80/99/58/522809958.db2.gz MHFWNAOGLWEODO-UHFFFAOYSA-N 1 1 371.413 1.520 50 0 FDAAMO COc1ccccc1/C=C/C[N@H+]1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000065384297 522812052 /nfs/dbraw/zinc/81/20/52/522812052.db2.gz BDCVGFGMXZSDEE-SOFGYWHQSA-N 1 1 354.454 1.959 50 0 FDAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2nnc(C)s2)cc1)[C@H]1COC[C@@H]1O ZINC000065525987 522835093 /nfs/dbraw/zinc/83/50/93/522835093.db2.gz FYCDZDHLVZTHNL-GJZGRUSLSA-N 1 1 362.455 1.680 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@]2(CCOC)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000075106028 522877976 /nfs/dbraw/zinc/87/79/76/522877976.db2.gz ZQDBRFMBPLYVCN-IBGZPJMESA-N 1 1 369.506 1.814 50 0 FDAAMO CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cccnc3)C[C@H]2CO)cc1 ZINC000075403573 522914074 /nfs/dbraw/zinc/91/40/74/522914074.db2.gz QHPOFPUOZINYQH-ROUUACIJSA-N 1 1 355.438 1.846 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cccnc3)C[C@H]2CO)cc1 ZINC000075403573 522914081 /nfs/dbraw/zinc/91/40/81/522914081.db2.gz QHPOFPUOZINYQH-ROUUACIJSA-N 1 1 355.438 1.846 50 0 FDAAMO O=C(CCCn1cncn1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077323033 523296200 /nfs/dbraw/zinc/29/62/00/523296200.db2.gz JZQPYDIMYRVUDU-UHFFFAOYSA-N 1 1 353.470 1.760 50 0 FDAAMO COCCC[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000081085279 523301535 /nfs/dbraw/zinc/30/15/35/523301535.db2.gz ZXINCEOIADNHBJ-INIZCTEOSA-N 1 1 351.495 1.835 50 0 FDAAMO CC1CCN(C(=O)COc2ccccc2C[N@@H+]2CCOC[C@H](O)C2)CC1 ZINC000077407649 523327644 /nfs/dbraw/zinc/32/76/44/523327644.db2.gz UCGMVFBRPRLGKH-GOSISDBHSA-N 1 1 362.470 1.517 50 0 FDAAMO CC1CCN(C(=O)COc2ccccc2C[N@H+]2CCOC[C@H](O)C2)CC1 ZINC000077407649 523327649 /nfs/dbraw/zinc/32/76/49/523327649.db2.gz UCGMVFBRPRLGKH-GOSISDBHSA-N 1 1 362.470 1.517 50 0 FDAAMO CN(C)C(=O)C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077408408 523329135 /nfs/dbraw/zinc/32/91/35/523329135.db2.gz ZRBAURJRGZWSQR-UHFFFAOYSA-N 1 1 361.442 1.440 50 0 FDAAMO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077437997 523336427 /nfs/dbraw/zinc/33/64/27/523336427.db2.gz UNZWHBBPNAKSHZ-OAHLLOKOSA-N 1 1 371.503 1.552 50 0 FDAAMO COc1cccc(CN2CCN(C(=O)[C@@H]3CCCCC[N@H+]3C)CC2=O)c1 ZINC000077535839 523375470 /nfs/dbraw/zinc/37/54/70/523375470.db2.gz HRUZJDGYJQIPQE-SFHVURJKSA-N 1 1 359.470 1.740 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)CC1 ZINC000067622650 523521676 /nfs/dbraw/zinc/52/16/76/523521676.db2.gz HIMBGVUFIDODSW-UHFFFAOYSA-N 1 1 359.879 1.514 50 0 FDAAMO Cc1nc(NCCNC(=O)Cc2ccc(F)cc2)cc(N2CCOCC2)[nH+]1 ZINC000067621851 523521922 /nfs/dbraw/zinc/52/19/22/523521922.db2.gz MTRYENRZIKNJQW-UHFFFAOYSA-N 1 1 373.432 1.532 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@@H+](C)Cc2cccc3ncccc23)C1=O ZINC000067675836 523538442 /nfs/dbraw/zinc/53/84/42/523538442.db2.gz JLPZOKBRTMUHHO-FQEVSTJZSA-N 1 1 357.454 1.667 50 0 FDAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+]3CCCNC(=O)C3)C2=O)cc1 ZINC000067696203 523546781 /nfs/dbraw/zinc/54/67/81/523546781.db2.gz QITOHKGERQQTKY-OAQYLSRUSA-N 1 1 373.497 1.485 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3[nH]cnc3C)CC2)C1 ZINC000067694851 523547730 /nfs/dbraw/zinc/54/77/30/523547730.db2.gz NCTKOLIKRSYTQS-MRXNPFEDSA-N 1 1 363.506 1.157 50 0 FDAAMO C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)NC[C@@H]2COCCO2)no1 ZINC000067756520 523571116 /nfs/dbraw/zinc/57/11/16/523571116.db2.gz GXJRKMUOKMHWSU-QGZVFWFLSA-N 1 1 359.426 1.494 50 0 FDAAMO CCc1c[nH]nc1C1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)CC1 ZINC000067773190 523578766 /nfs/dbraw/zinc/57/87/66/523578766.db2.gz HCUMUVRTUXEGCD-INIZCTEOSA-N 1 1 361.490 1.277 50 0 FDAAMO CCc1c[nH]nc1C1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)CC1 ZINC000067773190 523578776 /nfs/dbraw/zinc/57/87/76/523578776.db2.gz HCUMUVRTUXEGCD-INIZCTEOSA-N 1 1 361.490 1.277 50 0 FDAAMO COc1cc2[nH]c(=O)c(CN(C)[C@@H]3CC[N@@H+](C)C3)cc2c(OC)c1OC ZINC000067818746 523595380 /nfs/dbraw/zinc/59/53/80/523595380.db2.gz UHSINWZBIGTAKI-CYBMUJFWSA-N 1 1 361.442 1.690 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@H+](C)[C@@H]3CCN(C)C3)cc2c(OC)c1OC ZINC000067818746 523595393 /nfs/dbraw/zinc/59/53/93/523595393.db2.gz UHSINWZBIGTAKI-CYBMUJFWSA-N 1 1 361.442 1.690 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@@H+](C)[C@@H]3CCN(C)C3)cc2c(OC)c1OC ZINC000067818746 523595404 /nfs/dbraw/zinc/59/54/04/523595404.db2.gz UHSINWZBIGTAKI-CYBMUJFWSA-N 1 1 361.442 1.690 50 0 FDAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)CCC(N)=O)C2=O)cc1 ZINC000067920229 523634010 /nfs/dbraw/zinc/63/40/10/523634010.db2.gz HCBVAMHNJFWKCA-HXUWFJFHSA-N 1 1 361.486 1.471 50 0 FDAAMO C[N@H+]1CCCN(c2ncccc2CNC(=O)c2cnn3ccccc23)CC1 ZINC000067921168 523635584 /nfs/dbraw/zinc/63/55/84/523635584.db2.gz KJMYGZJVPCSQKT-UHFFFAOYSA-N 1 1 364.453 1.801 50 0 FDAAMO CCn1ncc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1C ZINC000091382218 523690929 /nfs/dbraw/zinc/69/09/29/523690929.db2.gz QLYALMKQDXMNGF-UHFFFAOYSA-N 1 1 360.462 1.076 50 0 FDAAMO CCn1ncc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1C ZINC000091382218 523690938 /nfs/dbraw/zinc/69/09/38/523690938.db2.gz QLYALMKQDXMNGF-UHFFFAOYSA-N 1 1 360.462 1.076 50 0 FDAAMO O=C(CCC(=O)N1CCC[N@H+](Cc2ccncc2)CC1)NC1CCCC1 ZINC000055343174 523798032 /nfs/dbraw/zinc/79/80/32/523798032.db2.gz LHSNEVIPHWCUBA-UHFFFAOYSA-N 1 1 358.486 1.955 50 0 FDAAMO O=C(CCC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1)NC1CCCC1 ZINC000055343174 523798039 /nfs/dbraw/zinc/79/80/39/523798039.db2.gz LHSNEVIPHWCUBA-UHFFFAOYSA-N 1 1 358.486 1.955 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)NC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)C1 ZINC000244723639 523861328 /nfs/dbraw/zinc/86/13/28/523861328.db2.gz MEWVNBJHKDLPAC-CZZMKVDGSA-N 1 1 373.501 1.411 50 0 FDAAMO Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)cc12 ZINC000173667742 524432547 /nfs/dbraw/zinc/43/25/47/524432547.db2.gz WTCQDMFOASXSAO-AWEZNQCLSA-N 1 1 365.503 1.772 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)C1 ZINC000089929800 524549295 /nfs/dbraw/zinc/54/92/95/524549295.db2.gz PRJHVEDZGJABKC-OAGGEKHMSA-N 1 1 369.506 1.907 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@H]2CC[C@H](CN2S(=O)(=O)N2CCCC2)C1 ZINC000091321015 524691525 /nfs/dbraw/zinc/69/15/25/524691525.db2.gz NNTGYILKYIUHPP-JKSUJKDBSA-N 1 1 368.503 1.528 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@H](CN2S(=O)(=O)N2CCCC2)C1 ZINC000091321015 524691537 /nfs/dbraw/zinc/69/15/37/524691537.db2.gz NNTGYILKYIUHPP-JKSUJKDBSA-N 1 1 368.503 1.528 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(SC)cc2)C[C@@H]1CO ZINC000091441126 524706744 /nfs/dbraw/zinc/70/67/44/524706744.db2.gz RCTLCRMIIWSTPI-HZPDHXFCSA-N 1 1 352.500 1.667 50 0 FDAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1nccnc1C(=O)N1CCCCC1)C2 ZINC000091460178 524707865 /nfs/dbraw/zinc/70/78/65/524707865.db2.gz JNZPAYIICVGJAV-HUUCEWRRSA-N 1 1 357.458 1.269 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000091596154 524735470 /nfs/dbraw/zinc/73/54/70/524735470.db2.gz WWPOWFIZHLQBLY-HUUCEWRRSA-N 1 1 367.471 1.118 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000091596154 524735478 /nfs/dbraw/zinc/73/54/78/524735478.db2.gz WWPOWFIZHLQBLY-HUUCEWRRSA-N 1 1 367.471 1.118 50 0 FDAAMO O=C(c1ccc(Cl)c(F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091595973 524736704 /nfs/dbraw/zinc/73/67/04/524736704.db2.gz RNNWIONZNOHRBC-ZIAGYGMSSA-N 1 1 356.825 1.492 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1CO ZINC000091643519 524752267 /nfs/dbraw/zinc/75/22/67/524752267.db2.gz BLHIPMXPSSGJLN-QZTJIDSGSA-N 1 1 370.497 1.409 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1CO ZINC000091643519 524752272 /nfs/dbraw/zinc/75/22/72/524752272.db2.gz BLHIPMXPSSGJLN-QZTJIDSGSA-N 1 1 370.497 1.409 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)CC1 ZINC000091656070 524754303 /nfs/dbraw/zinc/75/43/03/524754303.db2.gz ADWFACHOMXRZDZ-INIZCTEOSA-N 1 1 371.489 1.250 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(C)cc1OC)C2 ZINC000091746154 524773116 /nfs/dbraw/zinc/77/31/16/524773116.db2.gz RPCPHKANLQYEML-HZPDHXFCSA-N 1 1 368.499 1.735 50 0 FDAAMO CCCCOC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CCOC)CC2 ZINC000091792826 524784437 /nfs/dbraw/zinc/78/44/37/524784437.db2.gz ARWWZTKNDOHNGO-SFHVURJKSA-N 1 1 355.479 1.568 50 0 FDAAMO c1ncn(Cc2nnc(C3CC[NH+](Cc4c[nH]cn4)CC3)n2C2CC2)n1 ZINC000091846625 524798947 /nfs/dbraw/zinc/79/89/47/524798947.db2.gz CEZWBURNWPGLLT-UHFFFAOYSA-N 1 1 353.434 1.356 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@@H](C)O1 ZINC000248234841 524889609 /nfs/dbraw/zinc/88/96/09/524889609.db2.gz MEAGNOFTLUXICF-ZUMXRPEOSA-N 1 1 369.531 1.444 50 0 FDAAMO Cc1cc(N)n(CC(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)n1 ZINC000082097892 525041551 /nfs/dbraw/zinc/04/15/51/525041551.db2.gz BCBKUVHXJOKUTL-UHFFFAOYSA-N 1 1 359.478 1.148 50 0 FDAAMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000177397103 525285565 /nfs/dbraw/zinc/28/55/65/525285565.db2.gz FCEICRWLERRKGM-OAHLLOKOSA-N 1 1 361.446 1.470 50 0 FDAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000170602449 525641293 /nfs/dbraw/zinc/64/12/93/525641293.db2.gz FMBJEEIUCFFVCT-CQSZACIVSA-N 1 1 361.442 1.560 50 0 FDAAMO O=c1cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)nc2ccc(Cl)cn12 ZINC000106174713 525652640 /nfs/dbraw/zinc/65/26/40/525652640.db2.gz ZEYDRYOUXGOAMK-CYBMUJFWSA-N 1 1 358.833 1.852 50 0 FDAAMO C[N@H+]1CCN(C/C=C/c2ccccc2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000107684572 525906185 /nfs/dbraw/zinc/90/61/85/525906185.db2.gz GSTTTXNPMMFELK-WKOQKXSESA-N 1 1 357.498 1.691 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091390882 526140537 /nfs/dbraw/zinc/14/05/37/526140537.db2.gz RPPPIRJGRYVWOV-OCVGTWLNSA-N 1 1 352.500 1.846 50 0 FDAAMO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1N1CCNC1=O ZINC000091255514 526164232 /nfs/dbraw/zinc/16/42/32/526164232.db2.gz HCMOLJIBIYBPAR-MRXNPFEDSA-N 1 1 360.458 1.101 50 0 FDAAMO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)[C@H]1CNCCO1 ZINC000082097327 526645835 /nfs/dbraw/zinc/64/58/35/526645835.db2.gz VOHAKUWVFPHNLP-GOSISDBHSA-N 1 1 361.490 1.026 50 0 FDAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)[C@H]1CNCCO1 ZINC000082097327 526645839 /nfs/dbraw/zinc/64/58/39/526645839.db2.gz VOHAKUWVFPHNLP-GOSISDBHSA-N 1 1 361.490 1.026 50 0 FDAAMO O=C(c1cnn2cc(CCO)cnc12)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091391492 526891413 /nfs/dbraw/zinc/89/14/13/526891413.db2.gz XGSGIMBQAMCBKP-IAGOWNOFSA-N 1 1 369.469 1.211 50 0 FDAAMO O=C(COCc1nc2ccc(F)cc2[nH]1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082097825 526942957 /nfs/dbraw/zinc/94/29/57/526942957.db2.gz QTGYJIJSSMRQOM-UHFFFAOYSA-N 1 1 372.404 1.225 50 0 FDAAMO CCNc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071757164 535528108 /nfs/dbraw/zinc/52/81/08/535528108.db2.gz AYGULAPQJMBJLM-HNNXBMFYSA-N 1 1 372.517 1.868 50 0 FDAAMO CCS(=O)(=O)N(C)C1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192103405 537220530 /nfs/dbraw/zinc/22/05/30/537220530.db2.gz DSNUUAQPEPMXQV-KRWDZBQOSA-N 1 1 365.499 1.686 50 0 FDAAMO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000252495437 537250123 /nfs/dbraw/zinc/25/01/23/537250123.db2.gz OQHSLIVSKYJALG-WOJBJXKFSA-N 1 1 364.449 1.857 50 0 FDAAMO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000252495437 537250124 /nfs/dbraw/zinc/25/01/24/537250124.db2.gz OQHSLIVSKYJALG-WOJBJXKFSA-N 1 1 364.449 1.857 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000215977511 537443564 /nfs/dbraw/zinc/44/35/64/537443564.db2.gz JJOCJFSSDIIKEQ-SFHVURJKSA-N 1 1 354.454 1.835 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000215977511 537443572 /nfs/dbraw/zinc/44/35/72/537443572.db2.gz JJOCJFSSDIIKEQ-SFHVURJKSA-N 1 1 354.454 1.835 50 0 FDAAMO Cc1cc(C)c(C[NH+]2CCN(C(=O)c3nc[nH]n3)CC2)c(-n2cccn2)c1 ZINC000215927137 537443627 /nfs/dbraw/zinc/44/36/27/537443627.db2.gz IDJCIPIACCGBDG-UHFFFAOYSA-N 1 1 365.441 1.565 50 0 FDAAMO CN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@H]1Cc3ccccc3C[N@@H+]1C)CC2 ZINC000216252396 537445893 /nfs/dbraw/zinc/44/58/93/537445893.db2.gz OZXWJHJIPRHWSM-QGZVFWFLSA-N 1 1 367.453 1.053 50 0 FDAAMO CN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@H]1Cc3ccccc3C[N@H+]1C)CC2 ZINC000216252396 537445902 /nfs/dbraw/zinc/44/59/02/537445902.db2.gz OZXWJHJIPRHWSM-QGZVFWFLSA-N 1 1 367.453 1.053 50 0 FDAAMO Cn1nnnc1SCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000220525448 537489331 /nfs/dbraw/zinc/48/93/31/537489331.db2.gz CEVKGOBUWLOVPO-HNNXBMFYSA-N 1 1 360.487 1.473 50 0 FDAAMO Cn1nnnc1SCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000220525448 537489341 /nfs/dbraw/zinc/48/93/41/537489341.db2.gz CEVKGOBUWLOVPO-HNNXBMFYSA-N 1 1 360.487 1.473 50 0 FDAAMO C[C@H](Cc1cnccn1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000220481011 537490278 /nfs/dbraw/zinc/49/02/78/537490278.db2.gz OKQIKAIIPOTXKZ-MRXNPFEDSA-N 1 1 353.470 1.585 50 0 FDAAMO CC1=C(C(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)SC2=NCCN12 ZINC000220755469 537496119 /nfs/dbraw/zinc/49/61/19/537496119.db2.gz IQXSEDZIOIYAPY-HNNXBMFYSA-N 1 1 357.483 1.812 50 0 FDAAMO CC1=C(C(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)SC2=NCCN12 ZINC000220755469 537496123 /nfs/dbraw/zinc/49/61/23/537496123.db2.gz IQXSEDZIOIYAPY-HNNXBMFYSA-N 1 1 357.483 1.812 50 0 FDAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000221345940 537500983 /nfs/dbraw/zinc/50/09/83/537500983.db2.gz SQUKRJMDJGAPOW-SFHVURJKSA-N 1 1 373.497 1.404 50 0 FDAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000221345940 537500992 /nfs/dbraw/zinc/50/09/92/537500992.db2.gz SQUKRJMDJGAPOW-SFHVURJKSA-N 1 1 373.497 1.404 50 0 FDAAMO COc1ccc([C@@H](NC(=O)CCN2CC[NH+](C)CC2)c2ccncc2)cc1 ZINC000222285026 537504558 /nfs/dbraw/zinc/50/45/58/537504558.db2.gz FQORMKIEVWCHAA-OAQYLSRUSA-N 1 1 368.481 1.933 50 0 FDAAMO Cc1nc(C)n(CCCNC(=O)[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)n1 ZINC000223496162 537527589 /nfs/dbraw/zinc/52/75/89/537527589.db2.gz NHOXXKZJJZUKRZ-KRWDZBQOSA-N 1 1 359.430 1.433 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000244719134 537651205 /nfs/dbraw/zinc/65/12/05/537651205.db2.gz LXSRLLMCEGYSCC-UHFFFAOYSA-N 1 1 355.354 1.677 50 0 FDAAMO CCn1nc(C)c(CN(CCOC)C(=O)C[C@@H]2CN(C)CC[N@H+]2C)c1C ZINC000244734646 537651411 /nfs/dbraw/zinc/65/14/11/537651411.db2.gz NJKSHKGCYYBPAN-QGZVFWFLSA-N 1 1 365.522 1.131 50 0 FDAAMO CCn1nc(C)c(CN(CCOC)C(=O)C[C@@H]2C[N@H+](C)CCN2C)c1C ZINC000244734646 537651414 /nfs/dbraw/zinc/65/14/14/537651414.db2.gz NJKSHKGCYYBPAN-QGZVFWFLSA-N 1 1 365.522 1.131 50 0 FDAAMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2[nH]nc(CO)c2C1 ZINC000244811785 537653563 /nfs/dbraw/zinc/65/35/63/537653563.db2.gz SLEARQHTILQJGO-LJQANCHMSA-N 1 1 354.454 1.841 50 0 FDAAMO CS(=O)(=O)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000575546652 550465070 /nfs/dbraw/zinc/46/50/70/550465070.db2.gz XIDUQSSEQNHMQR-MRXNPFEDSA-N 1 1 358.504 1.070 50 0 FDAAMO CS(=O)(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000575546652 550465072 /nfs/dbraw/zinc/46/50/72/550465072.db2.gz XIDUQSSEQNHMQR-MRXNPFEDSA-N 1 1 358.504 1.070 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)NCc1ccc(C(N)=O)cc1)CCC[N@H+]2C ZINC000584894277 551566049 /nfs/dbraw/zinc/56/60/49/551566049.db2.gz IJAPXGXJMQTKHV-UHFFFAOYSA-N 1 1 373.501 1.097 50 0 FDAAMO CN1CCCN(C(=O)NCc2ccc(C(N)=O)cc2)CC12CC[NH+](C)CC2 ZINC000584894277 551566051 /nfs/dbraw/zinc/56/60/51/551566051.db2.gz IJAPXGXJMQTKHV-UHFFFAOYSA-N 1 1 373.501 1.097 50 0 FDAAMO CSc1ncc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1C ZINC000584899847 551567074 /nfs/dbraw/zinc/56/70/74/551567074.db2.gz UPVVVWZQGMBODA-CQSZACIVSA-N 1 1 367.519 1.538 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)[nH]c(=O)n1 ZINC000223272733 568632753 /nfs/dbraw/zinc/63/27/53/568632753.db2.gz HMZQMQDZLLRVFT-INIZCTEOSA-N 1 1 364.490 1.133 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCc2nc3ccccc3n2C)C[C@H]1CCO ZINC000426536252 570615444 /nfs/dbraw/zinc/61/54/44/570615444.db2.gz IFCFZBBROLHSRE-MRXNPFEDSA-N 1 1 373.501 1.808 50 0 FDAAMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000108157361 570903763 /nfs/dbraw/zinc/90/37/63/570903763.db2.gz WPWAVRMRLUWJGT-GJZGRUSLSA-N 1 1 363.424 1.726 50 0 FDAAMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000108157361 570903764 /nfs/dbraw/zinc/90/37/64/570903764.db2.gz WPWAVRMRLUWJGT-GJZGRUSLSA-N 1 1 363.424 1.726 50 0 FDAAMO C[C@@H]1CN(C(=O)C2CC[NH+](Cn3c4ccccc4oc3=O)CC2)C[C@H](C)O1 ZINC000045801744 570912596 /nfs/dbraw/zinc/91/25/96/570912596.db2.gz RVGUAIHHMLJMSZ-GASCZTMLSA-N 1 1 373.453 1.900 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)CC1 ZINC000263616547 571046395 /nfs/dbraw/zinc/04/63/95/571046395.db2.gz JJRYWPUQDQYXKO-KRWDZBQOSA-N 1 1 371.441 1.336 50 0 FDAAMO CCc1ccc(OCC(=O)NCCCCN2CC[NH+](CCO)CC2)cc1 ZINC000083823760 571051558 /nfs/dbraw/zinc/05/15/58/571051558.db2.gz ORSGRKZBKMNNOW-UHFFFAOYSA-N 1 1 363.502 1.134 50 0 FDAAMO Cn1nccc1[C@@H]1CCCN(C(=O)c2cnc(C3CC[NH+](C)CC3)[nH]2)C1 ZINC000685942836 571103236 /nfs/dbraw/zinc/10/32/36/571103236.db2.gz WTBGHCAWFUVEFH-OAHLLOKOSA-N 1 1 356.474 1.972 50 0 FDAAMO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1[nH]nc2c1COCC2 ZINC000244874202 571118226 /nfs/dbraw/zinc/11/82/26/571118226.db2.gz WWHVEWMQQLBLFJ-QGZVFWFLSA-N 1 1 355.442 1.834 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NS(=O)(=O)c3ccc(C)cc3C)C2)[nH+]c(N)n1 ZINC000244884074 571119139 /nfs/dbraw/zinc/11/91/39/571119139.db2.gz YESGTMQCOPJRQN-BETUJISGSA-N 1 1 361.471 1.942 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000046380075 571121601 /nfs/dbraw/zinc/12/16/01/571121601.db2.gz HQQSNVFFXFKGTQ-MRXNPFEDSA-N 1 1 374.485 1.592 50 0 FDAAMO Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426419695 571138687 /nfs/dbraw/zinc/13/86/87/571138687.db2.gz FZWYLVPONUXVPH-OAHLLOKOSA-N 1 1 353.426 1.525 50 0 FDAAMO Cc1c[nH]c(C(=O)N2CCC[C@H](Cn3cc(C[NH+]4CCCC4)nn3)C2)n1 ZINC000023159222 571166348 /nfs/dbraw/zinc/16/63/48/571166348.db2.gz FQRSTJRIRILXKV-HNNXBMFYSA-N 1 1 357.462 1.458 50 0 FDAAMO Cc1c[nH]c(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)c(C)c1=O ZINC000299763693 571193970 /nfs/dbraw/zinc/19/39/70/571193970.db2.gz ZOFWTRYNAZOFLW-CYBMUJFWSA-N 1 1 359.430 1.714 50 0 FDAAMO COCC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000299770609 571195683 /nfs/dbraw/zinc/19/56/83/571195683.db2.gz WVQLTMZSWYONCV-UHFFFAOYSA-N 1 1 351.422 1.643 50 0 FDAAMO C[C@@H](CC[N@H+]1CCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000299782725 571198591 /nfs/dbraw/zinc/19/85/91/571198591.db2.gz GJOMPXHWEHAJOZ-HNNXBMFYSA-N 1 1 362.499 1.942 50 0 FDAAMO COc1ccc(NC(C)=O)cc1NC(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000299782811 571198677 /nfs/dbraw/zinc/19/86/77/571198677.db2.gz XHRJVFIGWRMHND-CQSZACIVSA-N 1 1 364.446 1.479 50 0 FDAAMO CO[C@]12CC[N@@H+](CCn3cc[nH]c3=O)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299800370 571202844 /nfs/dbraw/zinc/20/28/44/571202844.db2.gz VDRGSBZHRVVSLM-TXPKVOOTSA-N 1 1 358.442 1.662 50 0 FDAAMO COc1ccccc1CNC(=O)CC[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299800710 571203105 /nfs/dbraw/zinc/20/31/05/571203105.db2.gz IJSQVUFUVWQAMS-WMZOPIPTSA-N 1 1 371.441 1.139 50 0 FDAAMO CNC(=O)c1cccnc1N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299802971 571203801 /nfs/dbraw/zinc/20/38/01/571203801.db2.gz ZJJYLINQXGXGBY-HZPDHXFCSA-N 1 1 359.430 1.093 50 0 FDAAMO CNC(=O)c1cccnc1N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299802971 571203803 /nfs/dbraw/zinc/20/38/03/571203803.db2.gz ZJJYLINQXGXGBY-HZPDHXFCSA-N 1 1 359.430 1.093 50 0 FDAAMO CCN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426386487 571218054 /nfs/dbraw/zinc/21/80/54/571218054.db2.gz WKCJXMWVKRMHPH-OAQYLSRUSA-N 1 1 373.497 1.988 50 0 FDAAMO COCCN(Cc1cccnc1)C(=O)NC(C)(C)C[NH+]1CCN(C)CC1 ZINC000426412295 571221752 /nfs/dbraw/zinc/22/17/52/571221752.db2.gz OEZMKPHSBPJFOZ-UHFFFAOYSA-N 1 1 363.506 1.266 50 0 FDAAMO O=C(c1ccc(-c2c[nH]cn2)cc1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000426495851 571228491 /nfs/dbraw/zinc/22/84/91/571228491.db2.gz RTDISMLQLFQWMZ-SFHVURJKSA-N 1 1 354.454 1.996 50 0 FDAAMO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCc1n[nH]c2c1CCCCC2 ZINC000426506883 571228939 /nfs/dbraw/zinc/22/89/39/571228939.db2.gz XCJBZAWQLNXRIZ-CQSZACIVSA-N 1 1 356.474 1.659 50 0 FDAAMO C[C@H](CCNC(=O)Nc1cccc(-n2cnnc2)c1)N1CC[NH+](C)CC1 ZINC000426508104 571228964 /nfs/dbraw/zinc/22/89/64/571228964.db2.gz PENFRXIJAXOWLJ-OAHLLOKOSA-N 1 1 357.462 1.415 50 0 FDAAMO CCc1ccc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)[nH]1 ZINC000426555765 571231703 /nfs/dbraw/zinc/23/17/03/571231703.db2.gz AXXHAAGUZYELOL-BRFBUHTJSA-N 1 1 364.493 1.875 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCCn2cc(COc3ccccc3)nn2)CC1 ZINC000252490270 571280624 /nfs/dbraw/zinc/28/06/24/571280624.db2.gz KNSISXHCPYYXFE-UHFFFAOYSA-N 1 1 357.458 1.801 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000252527774 571282636 /nfs/dbraw/zinc/28/26/36/571282636.db2.gz DIQALNZFBXPRON-GFCCVEGCSA-N 1 1 364.412 1.569 50 0 FDAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)c1cccc2nsnc21 ZINC000670444049 571350086 /nfs/dbraw/zinc/35/00/86/571350086.db2.gz JFOJMMCDTLWPHA-UHFFFAOYSA-N 1 1 351.457 1.819 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c(Cl)cc1F ZINC000670454869 571353604 /nfs/dbraw/zinc/35/36/04/571353604.db2.gz IPYOGBJKQXUITP-GFCCVEGCSA-N 1 1 364.870 1.913 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CO)c(Cl)cc1F ZINC000670454869 571353605 /nfs/dbraw/zinc/35/36/05/571353605.db2.gz IPYOGBJKQXUITP-GFCCVEGCSA-N 1 1 364.870 1.913 50 0 FDAAMO Cn1ccnc1CN(CCO)C(=O)NC[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000670454933 571353626 /nfs/dbraw/zinc/35/36/26/571353626.db2.gz PTWSOEYJNZLUDA-MRXNPFEDSA-N 1 1 363.506 1.579 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670457724 571355244 /nfs/dbraw/zinc/35/52/44/571355244.db2.gz OPYLUQXHRSMRHA-LBPRGKRZSA-N 1 1 362.455 1.581 50 0 FDAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)s1 ZINC000019217249 670666155 /nfs/dbraw/zinc/66/61/55/670666155.db2.gz AUVFSGOGQQTBCD-UHFFFAOYSA-N 1 1 360.483 1.577 50 0 FDAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000169782653 672040971 /nfs/dbraw/zinc/04/09/71/672040971.db2.gz KVKFVXPJRNFMNU-HNNXBMFYSA-N 1 1 368.499 1.674 50 0 FDAAMO CCS(=O)(=O)N1CCC2(C[C@H](C(=O)Nc3ccccc3)[N@H+](C)C2)CC1 ZINC000675010621 795209499 /nfs/dbraw/zinc/20/94/99/795209499.db2.gz MCUKZCCKCSRRAW-MRXNPFEDSA-N 1 1 365.499 1.761 50 0 FDAAMO CCS(=O)(=O)N1CCC2(C[C@H](C(=O)Nc3ccccc3)[N@@H+](C)C2)CC1 ZINC000675010621 795209503 /nfs/dbraw/zinc/20/95/03/795209503.db2.gz MCUKZCCKCSRRAW-MRXNPFEDSA-N 1 1 365.499 1.761 50 0 FDAAMO CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)CC[C@@]2(CO)C1 ZINC000675022093 795248910 /nfs/dbraw/zinc/24/89/10/795248910.db2.gz WIGDNTISDQOPMY-CJNGLKHVSA-N 1 1 360.426 1.041 50 0 FDAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@]2(CO)C1 ZINC000675022093 795248914 /nfs/dbraw/zinc/24/89/14/795248914.db2.gz WIGDNTISDQOPMY-CJNGLKHVSA-N 1 1 360.426 1.041 50 0 FDAAMO O=C(CCn1nnc2ccccc2c1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000888088945 806998545 /nfs/dbraw/zinc/99/85/45/806998545.db2.gz YNASWULADKIIKD-QAPCUYQASA-N 1 1 369.469 1.562 50 0 FDAAMO CCn1cncc1C[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426552079 810661986 /nfs/dbraw/zinc/66/19/86/810661986.db2.gz WRIBEYFSCHQVIU-INIZCTEOSA-N 1 1 373.505 1.243 50 0 FDAAMO O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000120403917 825854647 /nfs/dbraw/zinc/85/46/47/825854647.db2.gz NEZPQTKOOPIZMV-HNNXBMFYSA-N 1 1 352.438 1.511 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCc1c[nH]c2ccccc12 ZINC000012751370 877513942 /nfs/dbraw/zinc/51/39/42/877513942.db2.gz PVZPSPLDRULPLD-IBGZPJMESA-N 1 1 368.481 1.960 50 0 FDAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2 ZINC000169783779 907107547 /nfs/dbraw/zinc/10/75/47/907107547.db2.gz HQZUKYNJVAAWLB-HNNXBMFYSA-N 1 1 368.499 1.674 50 0 FDAAMO COc1ccc2nc(C[NH2+]C3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c2c1 ZINC000824757911 923204445 /nfs/dbraw/zinc/20/44/45/923204445.db2.gz WCYUNGRMIXWTGO-QGZVFWFLSA-N 1 1 358.442 1.831 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCN3CCCCC3=O)CC2)C[C@H](C)O1 ZINC000825031282 923398939 /nfs/dbraw/zinc/39/89/39/923398939.db2.gz MSZRUZJLNVRQNO-CALCHBBNSA-N 1 1 365.518 1.879 50 0 FDAAMO C[C@@H](C(=O)N1CCOC2(CC[NH+](Cc3c[nH]cn3)CC2)C1)n1cccc1 ZINC000827654161 924681359 /nfs/dbraw/zinc/68/13/59/924681359.db2.gz DYQUDSGWIQBBKY-INIZCTEOSA-N 1 1 357.458 1.666 50 0 FDAAMO Cc1ccc(NCCCNC(=O)Cc2ccc(S(C)(=O)=O)cc2)[nH+]c1 ZINC000827848319 924772789 /nfs/dbraw/zinc/77/27/89/924772789.db2.gz ADFZGPOHYQSYQP-UHFFFAOYSA-N 1 1 361.467 1.954 50 0 FDAAMO O=C(Cn1cccn1)N1CCC2(CC1)C[N@@H+](C[C@H]1CC=CCC1)CCO2 ZINC000827921304 924776277 /nfs/dbraw/zinc/77/62/77/924776277.db2.gz MWDUOXWWKUONPP-SFHVURJKSA-N 1 1 358.486 1.933 50 0 FDAAMO O=S(=O)(Cc1cc(F)ccc1Cl)NCC[N@@H+]1CCCC[C@H]1CO ZINC000828710831 924926030 /nfs/dbraw/zinc/92/60/30/924926030.db2.gz LWHJFGJNFVFKGX-AWEZNQCLSA-N 1 1 364.870 1.745 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000581785549 927579279 /nfs/dbraw/zinc/57/92/79/927579279.db2.gz MFOIWLZJWREAPF-LJQANCHMSA-N 1 1 373.497 1.796 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)N1CC([N@@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794681 927594778 /nfs/dbraw/zinc/59/47/78/927594778.db2.gz NKJSTTDVYAFUGY-UHFFFAOYSA-N 1 1 369.487 1.555 50 0 FDAAMO Cc1nc(N)sc1C(=O)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000219579375 943919186 /nfs/dbraw/zinc/91/91/86/943919186.db2.gz XTRWGYBPMSUCEC-KGLIPLIRSA-N 1 1 350.488 1.653 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1C ZINC000952861373 960189734 /nfs/dbraw/zinc/18/97/34/960189734.db2.gz DWJXZFGRLLRUCT-INIZCTEOSA-N 1 1 370.515 1.717 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc1C ZINC000952861373 960189735 /nfs/dbraw/zinc/18/97/35/960189735.db2.gz DWJXZFGRLLRUCT-INIZCTEOSA-N 1 1 370.515 1.717 50 0 FDAAMO CC(C)n1ccnc1[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000952868810 960207480 /nfs/dbraw/zinc/20/74/80/960207480.db2.gz GWJOLWGMFLQOPY-HOTGVXAUSA-N 1 1 361.490 1.367 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000952980132 960279498 /nfs/dbraw/zinc/27/94/98/960279498.db2.gz XZTJHFGKVGRBTE-CYBMUJFWSA-N 1 1 360.389 1.294 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)CCN2CCCCCC2=O)C[C@@H]1CCO ZINC000952966725 960281981 /nfs/dbraw/zinc/28/19/81/960281981.db2.gz FZIFUNCAOFIPPJ-KRWDZBQOSA-N 1 1 353.507 1.330 50 0 FDAAMO CN(C)Cc1nc(C(=O)Nc2cccc(NC(=O)C[NH+](C)C)c2)cs1 ZINC000952968269 960283426 /nfs/dbraw/zinc/28/34/26/960283426.db2.gz FPECRECAEFBHTM-UHFFFAOYSA-N 1 1 361.471 1.957 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000952968680 960284084 /nfs/dbraw/zinc/28/40/84/960284084.db2.gz DCPLXLNHSRWKQQ-IRXDYDNUSA-N 1 1 361.461 1.804 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000952990121 960316444 /nfs/dbraw/zinc/31/64/44/960316444.db2.gz GEYXFYNLPGZATB-BQFCYCMXSA-N 1 1 361.461 1.850 50 0 FDAAMO Cc1ccccc1OC[C@H](O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000952991313 960329683 /nfs/dbraw/zinc/32/96/83/960329683.db2.gz NOBSNTPHTPBVHX-IBGZPJMESA-N 1 1 354.450 1.909 50 0 FDAAMO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000088562534 1013205709 /nfs/dbraw/zinc/20/57/09/1013205709.db2.gz YAQQGOXZNATDQI-KRWDZBQOSA-N 1 1 358.486 1.456 50 0 FDAAMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000088562534 1013205718 /nfs/dbraw/zinc/20/57/18/1013205718.db2.gz YAQQGOXZNATDQI-KRWDZBQOSA-N 1 1 358.486 1.456 50 0 FDAAMO CNN1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C)CC2)CC1 ZINC000261490806 210007607 /nfs/dbraw/zinc/00/76/07/210007607.db2.gz FBEAZJGNQQCESF-UHFFFAOYSA-N 1 1 370.501 1.064 50 0 FDAAMO CC[C@@H](CNC(=O)N1CCCN(c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000534582613 540384660 /nfs/dbraw/zinc/38/46/60/540384660.db2.gz OLJSWMYIDWSABN-IBGZPJMESA-N 1 1 373.545 1.934 50 0 FDAAMO CC[C@@H](CNC(=O)N(C)Cc1noc(CC(C)C)n1)[NH+]1CCN(C)CC1 ZINC000534581643 540385161 /nfs/dbraw/zinc/38/51/61/540385161.db2.gz ZQQNGHXVIRFEGU-HNNXBMFYSA-N 1 1 366.510 1.436 50 0 FDAAMO CO[C@]12CC[N@H+](Cc3nc(C)no3)[C@H]1C[C@H](NC(=O)c1ccccn1)CC2 ZINC000534589046 540387010 /nfs/dbraw/zinc/38/70/10/540387010.db2.gz QZKWLOIOGICGME-SIXWZSSISA-N 1 1 371.441 1.715 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3nc(C)no3)[C@H]1C[C@H](NC(=O)c1ccccn1)CC2 ZINC000534589046 540387012 /nfs/dbraw/zinc/38/70/12/540387012.db2.gz QZKWLOIOGICGME-SIXWZSSISA-N 1 1 371.441 1.715 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1O ZINC000105074400 209264621 /nfs/dbraw/zinc/26/46/21/209264621.db2.gz RAWGDJHFEWGEEX-IXDOHACOSA-N 1 1 362.470 1.852 50 0 FDAAMO O=C(NC1c2ccccc2-c2ccccc21)[C@H]1[C@@H]2C[N@@H+](C(CO)CO)C[C@@H]21 ZINC000102791418 209242944 /nfs/dbraw/zinc/24/29/44/209242944.db2.gz DRBKONQLUPBMAW-PMOLBWCYSA-N 1 1 364.445 1.404 50 0 FDAAMO COc1ccccc1[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]2[C@@H]1N1CCC2CC1 ZINC000102724373 209240461 /nfs/dbraw/zinc/24/04/61/209240461.db2.gz AHLNCWZIFNVJLB-MKIZIQLTSA-N 1 1 367.493 1.549 50 0 FDAAMO CCOCc1cc(C[N@@H+]2CCc3n[nH]c(C(=O)NC)c3C2)ccc1OC ZINC000102541160 209237624 /nfs/dbraw/zinc/23/76/24/209237624.db2.gz VEDUXYPOQOTEQI-UHFFFAOYSA-N 1 1 358.442 1.873 50 0 FDAAMO CCOCc1cc(C[N@H+]2CCc3n[nH]c(C(=O)NC)c3C2)ccc1OC ZINC000102541160 209237629 /nfs/dbraw/zinc/23/76/29/209237629.db2.gz VEDUXYPOQOTEQI-UHFFFAOYSA-N 1 1 358.442 1.873 50 0 FDAAMO CCN1C[C@@]2(CCC[N@@H+](Cc3cc(=O)n4[n-]c(C)cc4n3)C2)CCC1=O ZINC000102157023 209233826 /nfs/dbraw/zinc/23/38/26/209233826.db2.gz MGHJTISNTKZKTF-IBGZPJMESA-N 1 1 357.458 1.556 50 0 FDAAMO CCN1C[C@@]2(CCCN(Cc3cc(=O)n4[n-]c(C)cc4n3)C2)CCC1=O ZINC000102157023 209233828 /nfs/dbraw/zinc/23/38/28/209233828.db2.gz MGHJTISNTKZKTF-IBGZPJMESA-N 1 1 357.458 1.556 50 0 FDAAMO O=C([C@@H]1CCCCn2nnnc21)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000097698886 209192925 /nfs/dbraw/zinc/19/29/25/209192925.db2.gz CXMMQYSLFSLWSD-QGZVFWFLSA-N 1 1 372.448 1.814 50 0 FDAAMO O=C([C@@H]1CCCCn2nnnc21)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000097698886 209192928 /nfs/dbraw/zinc/19/29/28/209192928.db2.gz CXMMQYSLFSLWSD-QGZVFWFLSA-N 1 1 372.448 1.814 50 0 FDAAMO CCn1ncnc1CN1CCC2(CC1)CC[N@@H+](Cc1ccoc1)C[C@H]2CO ZINC000097546576 209186529 /nfs/dbraw/zinc/18/65/29/209186529.db2.gz CVACRYHLHJIZQR-SFHVURJKSA-N 1 1 373.501 1.988 50 0 FDAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000097473283 209181953 /nfs/dbraw/zinc/18/19/53/209181953.db2.gz ZSHSOFYXTALPQW-KRWDZBQOSA-N 1 1 359.470 1.641 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc[nH]2)C[N@H+]1C1CCOCC1 ZINC000096152244 209125232 /nfs/dbraw/zinc/12/52/32/209125232.db2.gz IVFCIZUEJAOMHS-PBHICJAKSA-N 1 1 362.474 1.235 50 0 FDAAMO CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000004097183 207001644 /nfs/dbraw/zinc/00/16/44/207001644.db2.gz GVGLGOZIDCSQPN-PVHGPHFFSA-N 1 1 369.417 1.989 50 0 world FDAAMO CC(C)CCN1[NH+]=C(C(C)(C)C)Cn2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000005148130 207083418 /nfs/dbraw/zinc/08/34/18/207083418.db2.gz COTPVMOMQNAOLF-UHFFFAOYSA-N 1 1 360.462 1.702 50 0 FDAAMO Cc1ccccc1C[N@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000007680778 207202619 /nfs/dbraw/zinc/20/26/19/207202619.db2.gz SGCNWPBPWQWQSA-UHFFFAOYSA-N 1 1 358.442 1.713 50 0 FDAAMO Cc1ccccc1C[N@@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000007680778 207202621 /nfs/dbraw/zinc/20/26/21/207202621.db2.gz SGCNWPBPWQWQSA-UHFFFAOYSA-N 1 1 358.442 1.713 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000007990605 207216102 /nfs/dbraw/zinc/21/61/02/207216102.db2.gz MRQAKJZGXZMBBY-OAHLLOKOSA-N 1 1 370.453 1.721 50 0 FDAAMO COC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000011718908 207321048 /nfs/dbraw/zinc/32/10/48/207321048.db2.gz LCIOKALKJQPYIU-QGZVFWFLSA-N 1 1 359.470 1.762 50 0 FDAAMO COC(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000011718908 207321050 /nfs/dbraw/zinc/32/10/50/207321050.db2.gz LCIOKALKJQPYIU-QGZVFWFLSA-N 1 1 359.470 1.762 50 0 FDAAMO CN(CC(=O)N[C@H]1CCC[N@H+](C2CCN(C)CC2)C1)Cc1cccnc1 ZINC000011821487 207323509 /nfs/dbraw/zinc/32/35/09/207323509.db2.gz KOSYPTBXYDEEQA-SFHVURJKSA-N 1 1 359.518 1.188 50 0 FDAAMO CN(CC(=O)N[C@H]1CCCN(C2CC[NH+](C)CC2)C1)Cc1cccnc1 ZINC000011821487 207323515 /nfs/dbraw/zinc/32/35/15/207323515.db2.gz KOSYPTBXYDEEQA-SFHVURJKSA-N 1 1 359.518 1.188 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000011664442 207316069 /nfs/dbraw/zinc/31/60/69/207316069.db2.gz GRGFGCWUYUVIRK-UHFFFAOYSA-N 1 1 360.368 1.882 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCC1CCOCC1 ZINC000011873364 207327165 /nfs/dbraw/zinc/32/71/65/207327165.db2.gz FERGJIAPRPJSBB-IBGZPJMESA-N 1 1 373.497 1.353 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCC1CCOCC1 ZINC000011873364 207327169 /nfs/dbraw/zinc/32/71/69/207327169.db2.gz FERGJIAPRPJSBB-IBGZPJMESA-N 1 1 373.497 1.353 50 0 FDAAMO O=C(CN1CCOC1=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012200276 207347634 /nfs/dbraw/zinc/34/76/34/207347634.db2.gz SIGSPCGNKUCOFN-HNNXBMFYSA-N 1 1 351.834 1.873 50 0 FDAAMO O=C(CN1CCOC1=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012200276 207347638 /nfs/dbraw/zinc/34/76/38/207347638.db2.gz SIGSPCGNKUCOFN-HNNXBMFYSA-N 1 1 351.834 1.873 50 0 FDAAMO CCc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1 ZINC000012217946 207349203 /nfs/dbraw/zinc/34/92/03/207349203.db2.gz DWNVGZCCWXGFQX-SFHVURJKSA-N 1 1 371.485 1.742 50 0 FDAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN2C(=O)CSC2=O)C1 ZINC000012453528 207378062 /nfs/dbraw/zinc/37/80/62/207378062.db2.gz MEONEGOUQXGOPN-HNNXBMFYSA-N 1 1 361.467 1.805 50 0 FDAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2C(=O)CSC2=O)C1 ZINC000012453526 207378500 /nfs/dbraw/zinc/37/85/00/207378500.db2.gz MEONEGOUQXGOPN-OAHLLOKOSA-N 1 1 361.467 1.805 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000032802717 208044608 /nfs/dbraw/zinc/04/46/08/208044608.db2.gz COCSWKZBVHRXLM-UHFFFAOYSA-N 1 1 374.363 1.334 50 0 FDAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000036602825 208165974 /nfs/dbraw/zinc/16/59/74/208165974.db2.gz TWFSWHWTDMUFAP-ROUUACIJSA-N 1 1 364.486 1.473 50 0 FDAAMO COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000070666350 208178984 /nfs/dbraw/zinc/17/89/84/208178984.db2.gz XFWORLURTVWJAV-GVDBMIGSSA-N 1 1 370.449 1.716 50 0 biogenic FDAAMO COc1ccccc1[C@H](CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)[NH+](C)C ZINC000040087920 208223873 /nfs/dbraw/zinc/22/38/73/208223873.db2.gz VGKCRFOMRDIZLK-RDJZCZTQSA-N 1 1 361.486 1.919 50 0 FDAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1N)C2 ZINC000091847911 209001161 /nfs/dbraw/zinc/00/11/61/209001161.db2.gz REIATJMETVCYFN-JKSUJKDBSA-N 1 1 355.442 1.892 50 0 FDAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1N)C2 ZINC000091847911 209001163 /nfs/dbraw/zinc/00/11/63/209001163.db2.gz REIATJMETVCYFN-JKSUJKDBSA-N 1 1 355.442 1.892 50 0 FDAAMO CC(=O)N1CCN(CC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000096003257 209094792 /nfs/dbraw/zinc/09/47/92/209094792.db2.gz IAZGILLPSVQJNQ-GOSISDBHSA-N 1 1 359.449 1.402 50 0 FDAAMO O=c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)[nH]c2c(F)cccc12 ZINC000091986781 209008668 /nfs/dbraw/zinc/00/86/68/209008668.db2.gz CHEQEHWFRDKKPN-FQEVSTJZSA-N 1 1 373.428 1.886 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](CCCC(=O)c3ccccc3)C[C@@H]2C1 ZINC000095359849 209027910 /nfs/dbraw/zinc/02/79/10/209027910.db2.gz XAROXWGEKCHAMX-WIYYLYMNSA-N 1 1 374.481 1.581 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)C[C@@H]1CO ZINC000092062451 209014786 /nfs/dbraw/zinc/01/47/86/209014786.db2.gz UOOZCSAMAFSHEU-CHWSQXEVSA-N 1 1 356.850 1.304 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccn(C)c3)CC2)cc1 ZINC000092044275 209014837 /nfs/dbraw/zinc/01/48/37/209014837.db2.gz MZEVVNOMLBROFX-UHFFFAOYSA-N 1 1 363.483 1.930 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccn(C)c3)CC2)cc1 ZINC000092044275 209014840 /nfs/dbraw/zinc/01/48/40/209014840.db2.gz MZEVVNOMLBROFX-UHFFFAOYSA-N 1 1 363.483 1.930 50 0 FDAAMO Cc1[nH]c2ccccc2c1CC(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000095388162 209046560 /nfs/dbraw/zinc/04/65/60/209046560.db2.gz WJXMCLFPKNLZIT-NRFANRHFSA-N 1 1 368.481 1.832 50 0 FDAAMO CNc1nc(N2CC[C@@]3(C2)CCCN(CCOC)C3=O)[nH+]c2c1CCC2 ZINC000095376128 209036380 /nfs/dbraw/zinc/03/63/80/209036380.db2.gz MMCMLIXFVKASOB-LJQANCHMSA-N 1 1 359.474 1.472 50 0 FDAAMO COc1ccnc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1OC ZINC000095376820 209039643 /nfs/dbraw/zinc/03/96/43/209039643.db2.gz KBMIQNPHRZSAGU-IBGZPJMESA-N 1 1 362.474 1.227 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)Nc3ccc4c(c3)OCO4)CC[N@H+]2C)CCC1=O ZINC000095379513 209040500 /nfs/dbraw/zinc/04/05/00/209040500.db2.gz MUPCHRYZGPIBDA-LJQANCHMSA-N 1 1 374.441 1.576 50 0 FDAAMO Cc1[nH+]c(N)nc(N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c1CCC(=O)[O-] ZINC000095382790 209042100 /nfs/dbraw/zinc/04/21/00/209042100.db2.gz UYQQRUPDGRBBFH-INIZCTEOSA-N 1 1 369.469 1.877 50 0 FDAAMO Cn1ncc2c1nc(CN1C[C@H]3CC[C@@H]1C[N@H+](C1CCOCC1)C3)[nH]c2=O ZINC000095392402 209047403 /nfs/dbraw/zinc/04/74/03/209047403.db2.gz VMOMMEVXLLQUOL-DZGCQCFKSA-N 1 1 372.473 1.144 50 0 FDAAMO CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H]1CCC[N@@H+]1CC)CC2 ZINC000095500475 209061595 /nfs/dbraw/zinc/06/15/95/209061595.db2.gz JADFPUHZVSFRLX-INIZCTEOSA-N 1 1 373.501 1.506 50 0 FDAAMO CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCC[N@H+]1CC)CC2 ZINC000095500475 209061598 /nfs/dbraw/zinc/06/15/98/209061598.db2.gz JADFPUHZVSFRLX-INIZCTEOSA-N 1 1 373.501 1.506 50 0 FDAAMO CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCC[N@@H+]1CC)CC2 ZINC000095500475 209061601 /nfs/dbraw/zinc/06/16/01/209061601.db2.gz JADFPUHZVSFRLX-INIZCTEOSA-N 1 1 373.501 1.506 50 0 FDAAMO CCC[C@H]1CN(C(=O)Cn2c3ccccc3oc2=O)CC[N@H+]1CCOC ZINC000095452152 209052693 /nfs/dbraw/zinc/05/26/93/209052693.db2.gz YYTQUGMHCJYQED-HNNXBMFYSA-N 1 1 361.442 1.554 50 0 FDAAMO CCC[C@@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CC[N@H+]1CCOC ZINC000095452153 209052711 /nfs/dbraw/zinc/05/27/11/209052711.db2.gz OOPGKZZKYVLYTB-MRXNPFEDSA-N 1 1 374.485 1.299 50 0 FDAAMO O=C(Oc1ccccc1)N1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000095959297 209089704 /nfs/dbraw/zinc/08/97/04/209089704.db2.gz IETVEDGUQPBBLW-MRXNPFEDSA-N 1 1 361.442 1.176 50 0 FDAAMO CC(C)c1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000095948533 209088515 /nfs/dbraw/zinc/08/85/15/209088515.db2.gz ZNSSRDMAVNPMGB-HXUWFJFHSA-N 1 1 359.514 1.911 50 0 FDAAMO COc1ccnc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000095504781 209065045 /nfs/dbraw/zinc/06/50/45/209065045.db2.gz YSUKFOUWXOTDJC-MRXNPFEDSA-N 1 1 374.485 1.497 50 0 FDAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cnc[nH]c1=O ZINC000095510210 209068937 /nfs/dbraw/zinc/06/89/37/209068937.db2.gz UZUXZTVETZJBED-INIZCTEOSA-N 1 1 372.444 1.936 50 0 FDAAMO O=C(COCc1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095512488 209069806 /nfs/dbraw/zinc/06/98/06/209069806.db2.gz HTOUMAQPDKWXNX-FQEVSTJZSA-N 1 1 354.450 1.909 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc3c(c2)ncn3CCO)CC1 ZINC000077343600 132182240 /nfs/dbraw/zinc/18/22/40/132182240.db2.gz XMQOJLYBNFSKFT-UHFFFAOYSA-N 1 1 365.437 1.694 50 0 FDAAMO CC(=O)N1CC[N@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H](O)C1 ZINC000091574246 132202394 /nfs/dbraw/zinc/20/23/94/132202394.db2.gz YLEJKVSQQKOYPS-NRFANRHFSA-N 1 1 357.498 1.669 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000091712992 132203434 /nfs/dbraw/zinc/20/34/34/132203434.db2.gz KNHAAPAQSMBQBV-UHFFFAOYSA-N 1 1 355.490 1.342 50 0 FDAAMO Cc1cccnc1C[NH+]1CCN(c2nccc(N3CC[C@@H](O)C3)n2)CC1 ZINC000095509337 132212852 /nfs/dbraw/zinc/21/28/52/132212852.db2.gz IVMYDYFUIGYNAW-MRXNPFEDSA-N 1 1 354.458 1.073 50 0 FDAAMO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3C)cc1 ZINC000009273303 132845395 /nfs/dbraw/zinc/84/53/95/132845395.db2.gz UNNFDNLLVOVIOT-UHFFFAOYSA-N 1 1 353.430 1.867 50 0 FDAAMO C[N@H+]1CCCC2(CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)CC1 ZINC000067786589 136137679 /nfs/dbraw/zinc/13/76/79/136137679.db2.gz HWHYPQCYDYBXEN-UHFFFAOYSA-N 1 1 373.501 1.651 50 0 FDAAMO CC(C)c1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)nc(C(F)(F)F)n1 ZINC000071440511 136139337 /nfs/dbraw/zinc/13/93/37/136139337.db2.gz BNXDVERHLJMZKP-ZIAGYGMSSA-N 1 1 374.407 1.891 50 0 FDAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC000072129500 136142067 /nfs/dbraw/zinc/14/20/67/136142067.db2.gz ILNCUKPHTSRJHZ-LJQANCHMSA-N 1 1 356.514 1.860 50 0 FDAAMO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC000072129500 136142068 /nfs/dbraw/zinc/14/20/68/136142068.db2.gz ILNCUKPHTSRJHZ-LJQANCHMSA-N 1 1 356.514 1.860 50 0 FDAAMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)nc2)C1 ZINC000072156663 136143198 /nfs/dbraw/zinc/14/31/98/136143198.db2.gz GJIRIMXPSDIWPP-QGZVFWFLSA-N 1 1 356.474 1.730 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)n1 ZINC000072409970 136145574 /nfs/dbraw/zinc/14/55/74/136145574.db2.gz PNIWJLSSYIJRBW-INIZCTEOSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1cccc(C[N@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)n1 ZINC000072409970 136145575 /nfs/dbraw/zinc/14/55/75/136145575.db2.gz PNIWJLSSYIJRBW-INIZCTEOSA-N 1 1 352.442 1.735 50 0 FDAAMO Nc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)nc[nH+]1 ZINC000072430894 136146906 /nfs/dbraw/zinc/14/69/06/136146906.db2.gz QBINMQWTJJHSCL-GOEBONIOSA-N 1 1 352.442 1.514 50 0 FDAAMO Cc1ccc2nc(N3CCC[C@H](O)C3)c(C[N@@H+]3CCNC(=O)CC3)cc2c1 ZINC000072477033 136149323 /nfs/dbraw/zinc/14/93/23/136149323.db2.gz AAUFZLZSVXHHEL-SFHVURJKSA-N 1 1 368.481 1.826 50 0 FDAAMO Cc1ccc2nc(N3CCC[C@H](O)C3)c(C[N@H+]3CCNC(=O)CC3)cc2c1 ZINC000072477033 136149324 /nfs/dbraw/zinc/14/93/24/136149324.db2.gz AAUFZLZSVXHHEL-SFHVURJKSA-N 1 1 368.481 1.826 50 0 FDAAMO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCCCN1CCOCC1 ZINC000076060874 136150931 /nfs/dbraw/zinc/15/09/31/136150931.db2.gz FSPPGBWGTCUSCX-UHFFFAOYSA-N 1 1 374.529 1.427 50 0 FDAAMO CC(C)=CC[N@H+]1C[C@H](NC(=O)Cc2ccccc2O)C[C@H]1C(=O)NC(C)C ZINC000095521086 209073321 /nfs/dbraw/zinc/07/33/21/209073321.db2.gz VCHSHQFWALOCEN-MSOLQXFVSA-N 1 1 373.497 1.985 50 0 FDAAMO CC(C)=CC[N@@H+]1C[C@H](NC(=O)Cc2ccccc2O)C[C@H]1C(=O)NC(C)C ZINC000095521086 209073324 /nfs/dbraw/zinc/07/33/24/209073324.db2.gz VCHSHQFWALOCEN-MSOLQXFVSA-N 1 1 373.497 1.985 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000095523829 209074098 /nfs/dbraw/zinc/07/40/98/209074098.db2.gz WMUIKXQROLGFHE-CQSZACIVSA-N 1 1 357.414 1.660 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc3nonc32)C[C@H]1NS(=O)(=O)N(C)C ZINC000095524088 209075730 /nfs/dbraw/zinc/07/57/30/209075730.db2.gz XOAKADCGXRPATJ-DZGCQCFKSA-N 1 1 367.475 1.075 50 0 FDAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000124689415 172977872 /nfs/dbraw/zinc/97/78/72/172977872.db2.gz CMPCVCRWUQQYJY-KGLIPLIRSA-N 1 1 354.476 1.369 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@H]3CCC(=O)[C@H]3C)CC2)C1 ZINC000330036210 259123168 /nfs/dbraw/zinc/12/31/68/259123168.db2.gz YCMOZUZLZHUGGH-KSZLIROESA-N 1 1 365.518 1.245 50 0 FDAAMO CN(C)c1[nH+]cc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)n1C ZINC000331508882 259201055 /nfs/dbraw/zinc/20/10/55/259201055.db2.gz CVNYTEKESNHOOS-UHFFFAOYSA-N 1 1 363.487 1.299 50 0 FDAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2(O)CCS(=O)(=O)CC2)c1 ZINC000331897936 259227643 /nfs/dbraw/zinc/22/76/43/259227643.db2.gz JHRUOKZFZALXRA-INIZCTEOSA-N 1 1 369.483 1.780 50 0 FDAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC2(O)CCS(=O)(=O)CC2)c1 ZINC000331897936 259227644 /nfs/dbraw/zinc/22/76/44/259227644.db2.gz JHRUOKZFZALXRA-INIZCTEOSA-N 1 1 369.483 1.780 50 0 FDAAMO COc1ccc(C(=O)N2CCN(C(=O)NCC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000426489477 263604043 /nfs/dbraw/zinc/60/40/43/263604043.db2.gz CMIRBDBQZSYJQE-KRWDZBQOSA-N 1 1 374.485 1.647 50 0 FDAAMO COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CC[NH+](C)CC2)c1 ZINC000002196351 518237990 /nfs/dbraw/zinc/23/79/90/518237990.db2.gz MJOUQLXHYGATDU-UHFFFAOYSA-N 1 1 351.428 1.204 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002934137 518254023 /nfs/dbraw/zinc/25/40/23/518254023.db2.gz RLTMIVNLKIZAQK-INIZCTEOSA-N 1 1 359.536 1.429 50 0 FDAAMO COc1ccc(C[N@H+](C)CC(=O)NC(=O)NCc2ccco2)cc1OC ZINC000003585554 518275822 /nfs/dbraw/zinc/27/58/22/518275822.db2.gz QPZVIINFHKGCLF-UHFFFAOYSA-N 1 1 361.398 1.755 50 0 FDAAMO COc1ccc(C[N@@H+](C)CC(=O)NC(=O)NCc2ccco2)cc1OC ZINC000003585554 518275834 /nfs/dbraw/zinc/27/58/34/518275834.db2.gz QPZVIINFHKGCLF-UHFFFAOYSA-N 1 1 361.398 1.755 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000004035172 518283967 /nfs/dbraw/zinc/28/39/67/518283967.db2.gz VQHTYJZKWRJISG-INIZCTEOSA-N 1 1 354.454 1.901 50 0 FDAAMO CCCc1nnc(NC(=O)[C@@H](CC)Sc2nc(N)cc(N)[nH+]2)s1 ZINC000008814434 518488087 /nfs/dbraw/zinc/48/80/87/518488087.db2.gz RFXXVEVSJBWWTA-SSDOTTSWSA-N 1 1 353.477 1.954 50 0 FDAAMO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009514876 518508667 /nfs/dbraw/zinc/50/86/67/518508667.db2.gz HXWGQINLEJIGDY-CYBMUJFWSA-N 1 1 362.426 1.695 50 0 FDAAMO Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)nn1C ZINC000012229189 518598010 /nfs/dbraw/zinc/59/80/10/518598010.db2.gz YDACATQXWUKRKP-UHFFFAOYSA-N 1 1 361.471 1.908 50 0 FDAAMO Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)nn1C ZINC000012229189 518598015 /nfs/dbraw/zinc/59/80/15/518598015.db2.gz YDACATQXWUKRKP-UHFFFAOYSA-N 1 1 361.471 1.908 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(CN2CCOCC2)on1 ZINC000015769482 518734056 /nfs/dbraw/zinc/73/40/56/518734056.db2.gz NTWFZKQGUAJNEN-MRXNPFEDSA-N 1 1 364.490 1.891 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000019527834 518816280 /nfs/dbraw/zinc/81/62/80/518816280.db2.gz ILQBXNJGQIHGOV-UHFFFAOYSA-N 1 1 373.906 1.579 50 0 FDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000019530277 518816315 /nfs/dbraw/zinc/81/63/15/518816315.db2.gz VDECFGPRJKXARG-QGZVFWFLSA-N 1 1 358.442 1.105 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000020902644 518859500 /nfs/dbraw/zinc/85/95/00/518859500.db2.gz KKKJWSIIKSTRJR-HNNXBMFYSA-N 1 1 370.428 1.994 50 0 FDAAMO O=C(Cn1c(=O)oc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005139 518863563 /nfs/dbraw/zinc/86/35/63/518863563.db2.gz OWOVCLKEKJRBBZ-UHFFFAOYSA-N 1 1 351.406 1.939 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)n1cnc2c3cccnc3sc2c1=O ZINC000021882261 518886221 /nfs/dbraw/zinc/88/62/21/518886221.db2.gz SDTCMEOOFAPHTF-ZDUSSCGKSA-N 1 1 371.466 1.731 50 0 FDAAMO CN(C)C(=O)CNC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022800165 518912070 /nfs/dbraw/zinc/91/20/70/518912070.db2.gz IQUFCKGCKLKBPX-UHFFFAOYSA-N 1 1 374.510 1.223 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[NH+]3CCN(CC4CC4)CC3)C2=O)c1 ZINC000022851468 518918141 /nfs/dbraw/zinc/91/81/41/518918141.db2.gz JGBLMGAAMAFCDM-JOCHJYFZSA-N 1 1 371.525 1.876 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccco1 ZINC000023187139 518935033 /nfs/dbraw/zinc/93/50/33/518935033.db2.gz SIFWYELGXHFAQO-OAHLLOKOSA-N 1 1 358.373 1.548 50 0 FDAAMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC(=O)NC(N)=O)OCCO3 ZINC000024992668 519027686 /nfs/dbraw/zinc/02/76/86/519027686.db2.gz IMEIOEBPJSNFHY-LBPRGKRZSA-N 1 1 359.426 1.841 50 0 FDAAMO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC(=O)NC(N)=O)OCCO3 ZINC000024992668 519027692 /nfs/dbraw/zinc/02/76/92/519027692.db2.gz IMEIOEBPJSNFHY-LBPRGKRZSA-N 1 1 359.426 1.841 50 0 FDAAMO C[N@@H+](CCCNC(=O)C1CCN(S(C)(=O)=O)CC1)Cc1ccccc1 ZINC000025553216 519071621 /nfs/dbraw/zinc/07/16/21/519071621.db2.gz GDXMNORKENHEID-UHFFFAOYSA-N 1 1 367.515 1.296 50 0 FDAAMO CCC(CC)[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000029208116 519277505 /nfs/dbraw/zinc/27/75/05/519277505.db2.gz HCRMAIBXERWDDU-QGZVFWFLSA-N 1 1 372.469 1.790 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000035375429 519605551 /nfs/dbraw/zinc/60/55/51/519605551.db2.gz SSOWHLNZRXPOGA-LDNFRZNASA-N 1 1 353.422 1.712 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375111 519605576 /nfs/dbraw/zinc/60/55/76/519605576.db2.gz XTWMPYDVSJKONX-LDNFRZNASA-N 1 1 371.412 1.851 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375111 519605584 /nfs/dbraw/zinc/60/55/84/519605584.db2.gz XTWMPYDVSJKONX-LDNFRZNASA-N 1 1 371.412 1.851 50 0 FDAAMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000239762185 521452989 /nfs/dbraw/zinc/45/29/89/521452989.db2.gz CLELAKNAMXXCFE-HUUCEWRRSA-N 1 1 361.442 1.714 50 0 FDAAMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000239762185 521452997 /nfs/dbraw/zinc/45/29/97/521452997.db2.gz CLELAKNAMXXCFE-HUUCEWRRSA-N 1 1 361.442 1.714 50 0 FDAAMO COc1ccc(CCCNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000057389845 522078952 /nfs/dbraw/zinc/07/89/52/522078952.db2.gz QLGRZASEQUPGOR-UHFFFAOYSA-N 1 1 362.474 1.091 50 0 FDAAMO NC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071738542 522121502 /nfs/dbraw/zinc/12/15/02/522121502.db2.gz YMWDBYASAXSWEJ-SFHVURJKSA-N 1 1 372.513 1.007 50 0 FDAAMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000071735512 522121692 /nfs/dbraw/zinc/12/16/92/522121692.db2.gz BEBDEVYGQLFFSD-ROUUACIJSA-N 1 1 359.470 1.292 50 0 FDAAMO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000071735512 522121699 /nfs/dbraw/zinc/12/16/99/522121699.db2.gz BEBDEVYGQLFFSD-ROUUACIJSA-N 1 1 359.470 1.292 50 0 FDAAMO O=C(NCCc1cn[nH]c1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071747739 522124326 /nfs/dbraw/zinc/12/43/26/522124326.db2.gz MRFOKURVDSBYQD-KRWDZBQOSA-N 1 1 373.501 1.181 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000071747033 522124778 /nfs/dbraw/zinc/12/47/78/522124778.db2.gz YEFUSZAGOMLHIT-MRXNPFEDSA-N 1 1 374.485 1.161 50 0 FDAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(CCO)CC2)C1 ZINC000071764732 522129860 /nfs/dbraw/zinc/12/98/60/522129860.db2.gz BMDOIJVQFYNTMV-IBGZPJMESA-N 1 1 359.514 1.514 50 0 FDAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071762917 522130256 /nfs/dbraw/zinc/13/02/56/522130256.db2.gz MGHPQSXSDQTLJU-KRWDZBQOSA-N 1 1 370.497 1.811 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@H]2CCC[N@H+](C)C2)C1 ZINC000071776277 522131902 /nfs/dbraw/zinc/13/19/02/522131902.db2.gz ZADAVINMXWMRDO-INIZCTEOSA-N 1 1 366.469 1.949 50 0 FDAAMO C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)C1 ZINC000071771624 522132941 /nfs/dbraw/zinc/13/29/41/522132941.db2.gz HIDAGRGFJOFHNB-HNNXBMFYSA-N 1 1 374.533 1.615 50 0 FDAAMO COCCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071775901 522133578 /nfs/dbraw/zinc/13/35/78/522133578.db2.gz VVICYZYFRHTRPV-KRWDZBQOSA-N 1 1 360.502 1.521 50 0 FDAAMO CN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072120905 522153231 /nfs/dbraw/zinc/15/32/31/522153231.db2.gz NGTSIYDQLYOIMT-GOSISDBHSA-N 1 1 373.497 1.041 50 0 FDAAMO CN(CC1(CO)CCC1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072120905 522153242 /nfs/dbraw/zinc/15/32/42/522153242.db2.gz NGTSIYDQLYOIMT-GOSISDBHSA-N 1 1 373.497 1.041 50 0 FDAAMO COC(=O)CC[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072121611 522154226 /nfs/dbraw/zinc/15/42/26/522154226.db2.gz PQPAJBNLAXUUMB-CWFSZBLJSA-N 1 1 358.438 1.840 50 0 FDAAMO COC(=O)CCN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072121611 522154237 /nfs/dbraw/zinc/15/42/37/522154237.db2.gz PQPAJBNLAXUUMB-CWFSZBLJSA-N 1 1 358.438 1.840 50 0 FDAAMO O=C(c1ccc(CN2CCCC2)o1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072120773 522154517 /nfs/dbraw/zinc/15/45/17/522154517.db2.gz IYNDLDNHJWUUHV-QGZVFWFLSA-N 1 1 361.486 1.937 50 0 FDAAMO O=C(c1ccc(CN2CCCC2)o1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072120773 522154524 /nfs/dbraw/zinc/15/45/24/522154524.db2.gz IYNDLDNHJWUUHV-QGZVFWFLSA-N 1 1 361.486 1.937 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCCO ZINC000072133597 522161338 /nfs/dbraw/zinc/16/13/38/522161338.db2.gz FMEGVUIFMLAWJH-SFHVURJKSA-N 1 1 355.438 1.029 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCCO ZINC000072133597 522161348 /nfs/dbraw/zinc/16/13/48/522161348.db2.gz FMEGVUIFMLAWJH-SFHVURJKSA-N 1 1 355.438 1.029 50 0 FDAAMO CCCN(CCOC)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000072143519 522167638 /nfs/dbraw/zinc/16/76/38/522167638.db2.gz MWUHPBMXHGLIIA-IBGZPJMESA-N 1 1 373.497 1.229 50 0 FDAAMO CCCN(CCOC)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000072143519 522167649 /nfs/dbraw/zinc/16/76/49/522167649.db2.gz MWUHPBMXHGLIIA-IBGZPJMESA-N 1 1 373.497 1.229 50 0 FDAAMO CC(C)[C@@H]1CN(C(=O)CCn2cnnn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072142951 522168511 /nfs/dbraw/zinc/16/85/11/522168511.db2.gz MZLNOVIQKIFWPY-SFHVURJKSA-N 1 1 374.464 1.961 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)cc(=O)[nH]1 ZINC000072145626 522171198 /nfs/dbraw/zinc/17/11/98/522171198.db2.gz JANVIZXHIZIILC-INIZCTEOSA-N 1 1 354.458 1.848 50 0 FDAAMO Cc1c2ccccc2sc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072150188 522176140 /nfs/dbraw/zinc/17/61/40/522176140.db2.gz VZTUOYRIHANIAK-OAHLLOKOSA-N 1 1 373.478 1.483 50 0 FDAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072153958 522181436 /nfs/dbraw/zinc/18/14/36/522181436.db2.gz UFCGCIXZHWMUNR-CQSZACIVSA-N 1 1 364.442 1.741 50 0 FDAAMO CCc1oc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1CN(CC)CC ZINC000072154877 522184822 /nfs/dbraw/zinc/18/48/22/522184822.db2.gz VCWAOIKTUCTGRW-IBGZPJMESA-N 1 1 351.491 1.822 50 0 FDAAMO Cc1cc(C)c(C)c2occ(CC(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)c21 ZINC000072172955 522199267 /nfs/dbraw/zinc/19/92/67/522199267.db2.gz ZTBLONSJHWAXLO-QGZVFWFLSA-N 1 1 369.465 1.980 50 0 FDAAMO CCCCN(CC)c1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000058083923 522205689 /nfs/dbraw/zinc/20/56/89/522205689.db2.gz VDXCVFWWZDNVEV-UHFFFAOYSA-N 1 1 360.502 1.993 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 ZINC000058175365 522215727 /nfs/dbraw/zinc/21/57/27/522215727.db2.gz ZDMZSFZJVHLDLB-INIZCTEOSA-N 1 1 367.515 1.544 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000072409717 522241288 /nfs/dbraw/zinc/24/12/88/522241288.db2.gz FTHFSOUXEPYBCI-SFHVURJKSA-N 1 1 359.518 1.897 50 0 FDAAMO Cc1n[nH]c(Cc2ccc(NC(=O)CCc3cc4n(n3)CC[NH2+]C4)cc2)n1 ZINC000072418838 522247454 /nfs/dbraw/zinc/24/74/54/522247454.db2.gz RIACNXDJTNUXRB-UHFFFAOYSA-N 1 1 365.441 1.575 50 0 FDAAMO Cc1nnc(Cc2ccc(NC(=O)CCc3cc4n(n3)CC[NH2+]C4)cc2)[nH]1 ZINC000072418838 522247466 /nfs/dbraw/zinc/24/74/66/522247466.db2.gz RIACNXDJTNUXRB-UHFFFAOYSA-N 1 1 365.441 1.575 50 0 FDAAMO CNC(=O)c1ccc(CN[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1 ZINC000072422949 522254316 /nfs/dbraw/zinc/25/43/16/522254316.db2.gz YCVLBJFDHJKFIV-UXHICEINSA-N 1 1 365.477 1.873 50 0 FDAAMO Cn1cc(C[N@H+]2CCc3nc(N)nc(N[C@H]4CCSC4)c3CC2)cn1 ZINC000072477774 522299802 /nfs/dbraw/zinc/29/98/02/522299802.db2.gz SXMOKHQAJXMCGV-ZDUSSCGKSA-N 1 1 359.503 1.311 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000072479581 522302838 /nfs/dbraw/zinc/30/28/38/522302838.db2.gz FFOFJAHJUUJREP-ZDUSSCGKSA-N 1 1 354.336 1.073 50 0 FDAAMO CN1C[C@]2(CCC[N@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)OC1=O ZINC000072481064 522304870 /nfs/dbraw/zinc/30/48/70/522304870.db2.gz REOBVFFGDNGNDR-IBGZPJMESA-N 1 1 358.442 1.603 50 0 FDAAMO O=C(Nc1nccnc1C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000065228667 522792368 /nfs/dbraw/zinc/79/23/68/522792368.db2.gz RPRGKVJLSROVOT-UHFFFAOYSA-N 1 1 369.425 1.181 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCn3nc(C)cc3C)C2)cn1 ZINC000065267357 522798439 /nfs/dbraw/zinc/79/84/39/522798439.db2.gz QFQAHKNLFNIGCE-QGZVFWFLSA-N 1 1 357.458 1.684 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCn3nc(C)cc3C)C2)cn1 ZINC000065267357 522798445 /nfs/dbraw/zinc/79/84/45/522798445.db2.gz QFQAHKNLFNIGCE-QGZVFWFLSA-N 1 1 357.458 1.684 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000065363560 522809726 /nfs/dbraw/zinc/80/97/26/522809726.db2.gz QWYCTGDYRIOBNW-OAHLLOKOSA-N 1 1 367.515 1.934 50 0 FDAAMO Cc1ccc([C@@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000065384140 522811265 /nfs/dbraw/zinc/81/12/65/522811265.db2.gz MULGYCGOMAWZBT-KRWDZBQOSA-N 1 1 361.467 1.562 50 0 FDAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3cnns3)cc2)C1 ZINC000065376067 522812622 /nfs/dbraw/zinc/81/26/22/522812622.db2.gz POGORPRQKUJRGI-AWEZNQCLSA-N 1 1 359.455 1.748 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(Cc2n[nH]c(=O)n2CC)CC1 ZINC000065385739 522813559 /nfs/dbraw/zinc/81/35/59/522813559.db2.gz JWUMJLWDASTCRE-MRXNPFEDSA-N 1 1 363.506 1.637 50 0 FDAAMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc4sc5c(c4c3)CCNC5=O)C[C@H]21 ZINC000077436303 523335230 /nfs/dbraw/zinc/33/52/30/523335230.db2.gz JQTUXKVRRCAIHM-SWLSCSKDSA-N 1 1 355.463 1.963 50 0 FDAAMO O=C(C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1)NC1CC1 ZINC000077485928 523357627 /nfs/dbraw/zinc/35/76/27/523357627.db2.gz FXJCLZNMAKGANN-UHFFFAOYSA-N 1 1 373.453 1.631 50 0 FDAAMO CCOC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)o1 ZINC000077488008 523358853 /nfs/dbraw/zinc/35/88/53/523358853.db2.gz HICXVXXHXBDLLD-LJQANCHMSA-N 1 1 364.442 1.653 50 0 FDAAMO CCn1cc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1 ZINC000082096970 523371046 /nfs/dbraw/zinc/37/10/46/523371046.db2.gz GISOCISGFJAKOO-UHFFFAOYSA-N 1 1 360.462 1.076 50 0 FDAAMO CCn1cc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1 ZINC000082096970 523371055 /nfs/dbraw/zinc/37/10/55/523371055.db2.gz GISOCISGFJAKOO-UHFFFAOYSA-N 1 1 360.462 1.076 50 0 FDAAMO NC(=O)C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000067446580 523455783 /nfs/dbraw/zinc/45/57/83/523455783.db2.gz ITNZEAHOJCQEPW-UHFFFAOYSA-N 1 1 369.469 1.967 50 0 FDAAMO C[N@@H+](Cc1ccncn1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067458625 523457683 /nfs/dbraw/zinc/45/76/83/523457683.db2.gz BYOPOYAKIGCWBX-OAQYLSRUSA-N 1 1 368.481 1.895 50 0 FDAAMO COc1cccc(-c2noc3c2C[N@@H+](Cc2c(C)[nH]c(=O)[nH]c2=O)CC3)c1 ZINC000067689302 523543187 /nfs/dbraw/zinc/54/31/87/523543187.db2.gz NLLQJSRCWOTSSE-UHFFFAOYSA-N 1 1 368.393 1.594 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095392279 523573679 /nfs/dbraw/zinc/57/36/79/523573679.db2.gz BSYDQYSJCQECAG-QGZVFWFLSA-N 1 1 359.470 1.230 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095392279 523573688 /nfs/dbraw/zinc/57/36/88/523573688.db2.gz BSYDQYSJCQECAG-QGZVFWFLSA-N 1 1 359.470 1.230 50 0 FDAAMO Cc1c[nH+]c(N2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)nc1N ZINC000067871363 523615715 /nfs/dbraw/zinc/61/57/15/523615715.db2.gz GFHDHNVVKDHRLA-UHFFFAOYSA-N 1 1 365.441 1.636 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@@H+](C)Cc2cccc3cccnc32)C1=O ZINC000067935182 523641394 /nfs/dbraw/zinc/64/13/94/523641394.db2.gz LKZRBAMBTCWMCX-FQEVSTJZSA-N 1 1 357.454 1.667 50 0 FDAAMO CCc1c(C)nn(CC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)c1C ZINC000067954540 523647897 /nfs/dbraw/zinc/64/78/97/523647897.db2.gz ZAANXGDVZCSBHP-UHFFFAOYSA-N 1 1 361.534 1.691 50 0 FDAAMO CCc1c(C)nn(CC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)c1C ZINC000067954540 523647900 /nfs/dbraw/zinc/64/79/00/523647900.db2.gz ZAANXGDVZCSBHP-UHFFFAOYSA-N 1 1 361.534 1.691 50 0 FDAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000067975235 523653896 /nfs/dbraw/zinc/65/38/96/523653896.db2.gz IHMQWRPFCPFNJT-ZDUSSCGKSA-N 1 1 357.410 1.605 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000067973942 523655854 /nfs/dbraw/zinc/65/58/54/523655854.db2.gz MPWSVUGVMTWOKY-SFHVURJKSA-N 1 1 360.502 1.521 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)CCNC(=O)c2ccccc2F)C1 ZINC000055199298 523764874 /nfs/dbraw/zinc/76/48/74/523764874.db2.gz KOURZPSGKWCDSF-OAHLLOKOSA-N 1 1 365.449 1.420 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)CCCN3CCCCC3=O)C2)CC1 ZINC000020453179 523766486 /nfs/dbraw/zinc/76/64/86/523766486.db2.gz MODZGIRXUYFTLS-QGZVFWFLSA-N 1 1 364.534 1.454 50 0 FDAAMO C[NH+]1CCC(N2CCC[C@@H](NC(=O)CCCN3CCCCC3=O)C2)CC1 ZINC000020453179 523766499 /nfs/dbraw/zinc/76/64/99/523766499.db2.gz MODZGIRXUYFTLS-QGZVFWFLSA-N 1 1 364.534 1.454 50 0 FDAAMO CNC(=O)c1cc(NC(=O)NC[C@H]2CC[N@@H+](CCOC)C2)ccc1Cl ZINC000068545714 523816599 /nfs/dbraw/zinc/81/65/99/523816599.db2.gz YHQFOJURHSYLRY-GFCCVEGCSA-N 1 1 368.865 1.789 50 0 FDAAMO C[NH+]1CCN(C(=O)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000019841062 523870111 /nfs/dbraw/zinc/87/01/11/523870111.db2.gz TXNRHRZAGNKBQL-UHFFFAOYSA-N 1 1 362.449 1.029 50 0 FDAAMO C[NH+]1CCN(C(=O)C[C@@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000020682860 523875141 /nfs/dbraw/zinc/87/51/41/523875141.db2.gz WNJRMQMBGBHJCF-SFHVURJKSA-N 1 1 367.453 1.178 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000081035580 523934514 /nfs/dbraw/zinc/93/45/14/523934514.db2.gz OUEVDPZOVIKNRE-FQEVSTJZSA-N 1 1 357.498 1.974 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(C2CCOCC2)CC1 ZINC000081035580 523934520 /nfs/dbraw/zinc/93/45/20/523934520.db2.gz OUEVDPZOVIKNRE-FQEVSTJZSA-N 1 1 357.498 1.974 50 0 FDAAMO COc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(CC(=O)NC4=O)C3)cn2)cc1 ZINC000082096196 524208814 /nfs/dbraw/zinc/20/88/14/524208814.db2.gz YFVQRMCJDAZWDX-LJQANCHMSA-N 1 1 352.394 1.391 50 0 FDAAMO Cc1cc(=O)c(C(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)c[nH]1 ZINC000082092113 524208898 /nfs/dbraw/zinc/20/88/98/524208898.db2.gz GDKJDIYPODSJLS-UHFFFAOYSA-N 1 1 357.458 1.672 50 0 FDAAMO [NH3+][C@@H]1CCCCN(Cc2cnc(NS(=O)(=O)c3ccccc3)nc2)C1 ZINC000082109500 524211085 /nfs/dbraw/zinc/21/10/85/524211085.db2.gz LBBHMGWGIIGXLN-OAHLLOKOSA-N 1 1 361.471 1.591 50 0 FDAAMO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000083173129 524243070 /nfs/dbraw/zinc/24/30/70/524243070.db2.gz WBVDGMOZWQHEAY-UHFFFAOYSA-N 1 1 360.502 1.754 50 0 FDAAMO COc1ccc(F)c(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1 ZINC000091645357 524272831 /nfs/dbraw/zinc/27/28/31/524272831.db2.gz KGGDDQSTIAYEBC-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO COc1ccc(F)c(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1 ZINC000091645357 524272839 /nfs/dbraw/zinc/27/28/39/524272839.db2.gz KGGDDQSTIAYEBC-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO CN1CCN(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)CC1 ZINC000091548198 524725176 /nfs/dbraw/zinc/72/51/76/524725176.db2.gz HCFOKKOWQRNWAX-FXAWDEMLSA-N 1 1 368.525 1.917 50 0 FDAAMO O=C([C@H]1CCC[N@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1)N1CCOCC1 ZINC000091691601 524761419 /nfs/dbraw/zinc/76/14/19/524761419.db2.gz ZKNBPRQOUFGAFQ-AWEZNQCLSA-N 1 1 373.428 1.738 50 0 FDAAMO CCc1ocnc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091694629 524763965 /nfs/dbraw/zinc/76/39/65/524763965.db2.gz BMMZEXKMYZDQBK-OAHLLOKOSA-N 1 1 374.485 1.786 50 0 FDAAMO O=C(c1cnc2ccccc2c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091829374 524793402 /nfs/dbraw/zinc/79/34/02/524793402.db2.gz VGYRPFJRRGDNQF-QZTJIDSGSA-N 1 1 355.438 1.248 50 0 FDAAMO NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000114694719 524852234 /nfs/dbraw/zinc/85/22/34/524852234.db2.gz ZDZLXWPIQMNODQ-AWEZNQCLSA-N 1 1 363.439 1.321 50 0 FDAAMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)[C@H]3CCC(=O)N3)CC2)c1C ZINC000103130982 525328703 /nfs/dbraw/zinc/32/87/03/525328703.db2.gz WJTWVPPBKQTRQO-MRXNPFEDSA-N 1 1 374.485 1.408 50 0 FDAAMO COCCOc1ccccc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000170614462 525643763 /nfs/dbraw/zinc/64/37/63/525643763.db2.gz LZBKSZYRYGJTCE-UHFFFAOYSA-N 1 1 358.442 1.844 50 0 FDAAMO C[N@@H+](CCCNS(C)(=O)=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000106574808 525761395 /nfs/dbraw/zinc/76/13/95/525761395.db2.gz BLNFMKJPYWYLMH-KGLIPLIRSA-N 1 1 367.298 1.823 50 0 FDAAMO Cc1nn([C@@H](C)C(=O)NCCC[NH+]2CCOCC2)cc1Br ZINC000020028547 526301615 /nfs/dbraw/zinc/30/16/15/526301615.db2.gz HSHTZJACDWEOBB-LBPRGKRZSA-N 1 1 359.268 1.354 50 0 FDAAMO O=C(CCCn1cncn1)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082121313 526472721 /nfs/dbraw/zinc/47/27/21/526472721.db2.gz ONUDLXNPYAAELR-UHFFFAOYSA-N 1 1 371.489 1.720 50 0 FDAAMO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CSC[NH2+]1 ZINC000155667161 526485547 /nfs/dbraw/zinc/48/55/47/526485547.db2.gz OYEQYTIEBRTSTD-SCZZXKLOSA-N 1 1 351.255 1.512 50 0 FDAAMO O=C(CNC(=O)c1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000019812204 526862674 /nfs/dbraw/zinc/86/26/74/526862674.db2.gz YCNVADRCTMHWQK-GOSISDBHSA-N 1 1 359.470 1.520 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@H+]1C[C@H](CO)C[C@H](CN2CCOCC2)C1 ZINC000091663969 527173070 /nfs/dbraw/zinc/17/30/70/527173070.db2.gz LIMBFIUOEXNCSU-QZTJIDSGSA-N 1 1 370.497 1.701 50 0 FDAAMO O=C(Cn1ncc2c1-c1ccccc1OC2)NCCC[NH+]1CCOCC1 ZINC000020356872 527422377 /nfs/dbraw/zinc/42/23/77/527422377.db2.gz XDLHFNNYYVYXRU-UHFFFAOYSA-N 1 1 356.426 1.281 50 0 FDAAMO O=C(c1cccn1Cc1cccs1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186601903 536238097 /nfs/dbraw/zinc/23/80/97/536238097.db2.gz QXYVJDKENSERQI-OAHLLOKOSA-N 1 1 372.494 1.634 50 0 FDAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1Cn1cncn1 ZINC000215438923 537437663 /nfs/dbraw/zinc/43/76/63/537437663.db2.gz DFGISKGKECFQDI-GOSISDBHSA-N 1 1 357.414 1.409 50 0 FDAAMO Cn1c(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1-c1ccccc1 ZINC000216045015 537444742 /nfs/dbraw/zinc/44/47/42/537444742.db2.gz JGDLTOZUIDNESH-INIZCTEOSA-N 1 1 354.454 1.619 50 0 FDAAMO Cc1nc([C@H]2C[C@H](NC(=O)C[N@@H+]3CCc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000220522210 537490487 /nfs/dbraw/zinc/49/04/87/537490487.db2.gz KSHSBFPVUVUSKP-CALCHBBNSA-N 1 1 352.438 1.499 50 0 FDAAMO Cc1nc([C@H]2C[C@H](NC(=O)C[N@H+]3CCc4ccccc4C3)C2)cc(=O)[nH]1 ZINC000220522210 537490495 /nfs/dbraw/zinc/49/04/95/537490495.db2.gz KSHSBFPVUVUSKP-CALCHBBNSA-N 1 1 352.438 1.499 50 0 FDAAMO CC[N@H+]1CC[C@@H](CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1 ZINC000220676518 537493713 /nfs/dbraw/zinc/49/37/13/537493713.db2.gz DQSYFDDFUBOHAP-HNNXBMFYSA-N 1 1 364.511 1.970 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000221792045 537502375 /nfs/dbraw/zinc/50/23/75/537502375.db2.gz BAICXXCYCWAWJS-NXOAAHMSSA-N 1 1 368.522 1.120 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000221792045 537502386 /nfs/dbraw/zinc/50/23/86/537502386.db2.gz BAICXXCYCWAWJS-NXOAAHMSSA-N 1 1 368.522 1.120 50 0 FDAAMO CN(Cc1cc(C2CC2)on1)C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000223710010 537531254 /nfs/dbraw/zinc/53/12/54/537531254.db2.gz WPTHPZRGVGLBJO-CQSZACIVSA-N 1 1 355.460 1.019 50 0 FDAAMO CN(Cc1cc(C2CC2)on1)C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000223710010 537531262 /nfs/dbraw/zinc/53/12/62/537531262.db2.gz WPTHPZRGVGLBJO-CQSZACIVSA-N 1 1 355.460 1.019 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000230102640 537577260 /nfs/dbraw/zinc/57/72/60/537577260.db2.gz AFXBZVCDVMBTNZ-STQMWFEESA-N 1 1 373.432 1.655 50 0 FDAAMO Cc1csc(S(=O)(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000230203168 537578681 /nfs/dbraw/zinc/57/86/81/537578681.db2.gz GPJLEFLNGDOLJI-MRXNPFEDSA-N 1 1 371.528 1.374 50 0 FDAAMO Cc1csc(S(=O)(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000230203168 537578688 /nfs/dbraw/zinc/57/86/88/537578688.db2.gz GPJLEFLNGDOLJI-MRXNPFEDSA-N 1 1 371.528 1.374 50 0 FDAAMO Cc1ncc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000230189401 537578933 /nfs/dbraw/zinc/57/89/33/537578933.db2.gz PEUAJZSWMJVEEA-HXUWFJFHSA-N 1 1 357.502 1.694 50 0 FDAAMO Cc1nonc1CN1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000299774715 537594923 /nfs/dbraw/zinc/59/49/23/537594923.db2.gz IWLDMDVOOUHNPD-SFHVURJKSA-N 1 1 355.442 1.079 50 0 FDAAMO Cc1nonc1CN1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000299774715 537594930 /nfs/dbraw/zinc/59/49/30/537594930.db2.gz IWLDMDVOOUHNPD-SFHVURJKSA-N 1 1 355.442 1.079 50 0 FDAAMO OCCn1ncc2c1CN(C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000244601787 537648003 /nfs/dbraw/zinc/64/80/03/537648003.db2.gz DRTHYVUMJDPLOC-IBGZPJMESA-N 1 1 356.470 1.482 50 0 FDAAMO COc1ccc(NC(=O)C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000244646936 537649037 /nfs/dbraw/zinc/64/90/37/537649037.db2.gz GSBNZCMCPFZSCA-UHFFFAOYSA-N 1 1 352.398 1.946 50 0 FDAAMO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000244646936 537649040 /nfs/dbraw/zinc/64/90/40/537649040.db2.gz GSBNZCMCPFZSCA-UHFFFAOYSA-N 1 1 352.398 1.946 50 0 FDAAMO O=C(CC[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1)NCc1cccc(Cl)c1 ZINC000244646861 537649193 /nfs/dbraw/zinc/64/91/93/537649193.db2.gz GQJIDLUVEGYTOE-ROUUACIJSA-N 1 1 365.905 1.877 50 0 FDAAMO O=C(CC[N@@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1)NCc1cccc(Cl)c1 ZINC000244646861 537649197 /nfs/dbraw/zinc/64/91/97/537649197.db2.gz GQJIDLUVEGYTOE-ROUUACIJSA-N 1 1 365.905 1.877 50 0 FDAAMO C[N@H+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244695646 537650365 /nfs/dbraw/zinc/65/03/65/537650365.db2.gz JPUWRUKSQOYXEN-UHFFFAOYSA-N 1 1 365.397 1.036 50 0 FDAAMO C[N@@H+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244695646 537650371 /nfs/dbraw/zinc/65/03/71/537650371.db2.gz JPUWRUKSQOYXEN-UHFFFAOYSA-N 1 1 365.397 1.036 50 0 FDAAMO COc1ccc([C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244734989 537652640 /nfs/dbraw/zinc/65/26/40/537652640.db2.gz NRBKFDQXEUKOKQ-KHYOSLBOSA-N 1 1 366.433 1.485 50 0 FDAAMO CCc1nn2c(nc(C[N@@H+]3CC[C@@H](n4nc(C)cc4C)C3)cc2=O)s1 ZINC000244773798 537652666 /nfs/dbraw/zinc/65/26/66/537652666.db2.gz PGVLYOUQGCTYLY-CQSZACIVSA-N 1 1 358.471 1.974 50 0 FDAAMO CCc1nn2c(nc(C[N@H+]3CC[C@@H](n4nc(C)cc4C)C3)cc2=O)s1 ZINC000244773798 537652669 /nfs/dbraw/zinc/65/26/69/537652669.db2.gz PGVLYOUQGCTYLY-CQSZACIVSA-N 1 1 358.471 1.974 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1)N1CCCCC1 ZINC000244866486 537654291 /nfs/dbraw/zinc/65/42/91/537654291.db2.gz VWZCQZQMDSLAKJ-INIZCTEOSA-N 1 1 364.515 1.957 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1)N1CCCCC1 ZINC000244866486 537654296 /nfs/dbraw/zinc/65/42/96/537654296.db2.gz VWZCQZQMDSLAKJ-INIZCTEOSA-N 1 1 364.515 1.957 50 0 FDAAMO COc1ccccc1OCCCN(C)C(=O)NC[C@@H]1COCC[N@@H+](C)C1 ZINC000584885019 551564553 /nfs/dbraw/zinc/56/45/53/551564553.db2.gz SZGLZTXLJMGLBH-INIZCTEOSA-N 1 1 365.474 1.684 50 0 FDAAMO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)C1 ZINC000584894854 551566107 /nfs/dbraw/zinc/56/61/07/551566107.db2.gz MZVANUSURUNZSD-INIZCTEOSA-N 1 1 362.449 1.664 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2c(C)ncnc2OC)c1 ZINC000584903107 551567487 /nfs/dbraw/zinc/56/74/87/551567487.db2.gz DKRBHSBUJKMUFX-IRXDYDNUSA-N 1 1 370.453 1.910 50 0 FDAAMO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000624137430 556542847 /nfs/dbraw/zinc/54/28/47/556542847.db2.gz LGRUJXRCPMIXLR-HUUCEWRRSA-N 1 1 365.499 1.589 50 0 FDAAMO O=S(=O)([N-]c1ncc(C[N@H+]2CCc3n[nH]cc3C2)cn1)c1ccccc1 ZINC000214951126 568034116 /nfs/dbraw/zinc/03/41/16/568034116.db2.gz LPHUJPLHTGVCDS-UHFFFAOYSA-N 1 1 370.438 1.559 50 0 FDAAMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)N(C)c1nccn2cnnc12 ZINC000107533387 570897300 /nfs/dbraw/zinc/89/73/00/570897300.db2.gz LYXKPEYCWSHLCJ-CABCVRRESA-N 1 1 359.478 1.187 50 0 FDAAMO COc1ccc2nc(CCN(C)C(=O)CN3CC[C@H]([NH+](C)C)C3)[nH]c2c1 ZINC000230562374 571096536 /nfs/dbraw/zinc/09/65/36/571096536.db2.gz LCJOTPSPTXAVSB-AWEZNQCLSA-N 1 1 359.474 1.208 50 0 FDAAMO O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000685941906 571101409 /nfs/dbraw/zinc/10/14/09/571101409.db2.gz JFSCDGKRBQARAB-KRWDZBQOSA-N 1 1 354.454 1.960 50 0 FDAAMO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1ccc(O)c(Cl)c1 ZINC000244707973 571114731 /nfs/dbraw/zinc/11/47/31/571114731.db2.gz KLCIXODZEQNZIT-CYBMUJFWSA-N 1 1 353.850 1.718 50 0 FDAAMO CN(CCO)c1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000244778746 571116222 /nfs/dbraw/zinc/11/62/22/571116222.db2.gz PVUWXHVCWXXTTH-LJQANCHMSA-N 1 1 368.481 1.905 50 0 FDAAMO CN(CCO)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000244778746 571116225 /nfs/dbraw/zinc/11/62/25/571116225.db2.gz PVUWXHVCWXXTTH-LJQANCHMSA-N 1 1 368.481 1.905 50 0 FDAAMO CC[C@@H](C(=O)Nc1nccs1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000244794555 571116476 /nfs/dbraw/zinc/11/64/76/571116476.db2.gz QOVPUCBYEDEISZ-AWEZNQCLSA-N 1 1 351.520 1.620 50 0 FDAAMO O=C(CC[N@@H+]1CC[C@](O)(c2ccccc2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244883980 571118946 /nfs/dbraw/zinc/11/89/46/571118946.db2.gz YDBSAQFVCNZLSZ-HXUWFJFHSA-N 1 1 366.421 1.778 50 0 FDAAMO Cc1ccc(C)c(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)c1 ZINC000426634118 571132407 /nfs/dbraw/zinc/13/24/07/571132407.db2.gz FWEPHZIBZLLLMK-OAHLLOKOSA-N 1 1 354.454 2.390 50 0 FDAAMO COc1cc(CNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)cc(OC)c1OC ZINC000426442065 571137379 /nfs/dbraw/zinc/13/73/79/571137379.db2.gz WKECKPSRSXTTEL-GFCCVEGCSA-N 1 1 360.414 1.623 50 0 FDAAMO COc1cc(CNc2cc([C@H]3CCOC3)[nH+]c(N)n2)cc(OC)c1OC ZINC000426442067 571137417 /nfs/dbraw/zinc/13/74/17/571137417.db2.gz WKECKPSRSXTTEL-LBPRGKRZSA-N 1 1 360.414 1.623 50 0 FDAAMO Cc1nc2nc(-c3ccccc3)nn2c(C)c1CC(=O)N1CC[NH+](C)CC1 ZINC000035477074 571148051 /nfs/dbraw/zinc/14/80/51/571148051.db2.gz HSIROEVXJVVLNW-UHFFFAOYSA-N 1 1 364.453 1.725 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCOc2ccccc2)[C@H](O)C1 ZINC000299764966 571194576 /nfs/dbraw/zinc/19/45/76/571194576.db2.gz WORZZSBOIGUILC-RTBURBONSA-N 1 1 373.453 1.812 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCOc2ccccc2)[C@H](O)C1 ZINC000299764966 571194577 /nfs/dbraw/zinc/19/45/77/571194577.db2.gz WORZZSBOIGUILC-RTBURBONSA-N 1 1 373.453 1.812 50 0 FDAAMO COc1ccc(CNC(=O)CC[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299770685 571195716 /nfs/dbraw/zinc/19/57/16/571195716.db2.gz VDXNDZVHZRYEPE-ROUUACIJSA-N 1 1 371.441 1.139 50 0 FDAAMO C[C@H](CC(=O)NCCc1nc2cc(Cl)ccc2[nH]1)N1CCOCC1 ZINC000299787181 571199843 /nfs/dbraw/zinc/19/98/43/571199843.db2.gz VODKUPLXTUUKFP-GFCCVEGCSA-N 1 1 350.850 1.986 50 0 FDAAMO CC(C)C(=O)Nc1cc(NC(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)ccc1F ZINC000299800122 571203032 /nfs/dbraw/zinc/20/30/32/571203032.db2.gz VYTQNAMTIDWRRK-OLZOCXBDSA-N 1 1 352.410 1.607 50 0 FDAAMO C[NH+](C)CCOc1ccccc1CN1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299801436 571203126 /nfs/dbraw/zinc/20/31/26/571203126.db2.gz YFZKOMMTBJDKGU-HKUYNNGSSA-N 1 1 357.458 1.564 50 0 FDAAMO Cc1nc(C)c(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)o1 ZINC000299801827 571203187 /nfs/dbraw/zinc/20/31/87/571203187.db2.gz ZPFRIMIXEUGNBA-BSLVTKGXSA-N 1 1 366.465 1.589 50 0 FDAAMO Cc1cc(=O)n(CC(=O)NCC[N@H+]2CCCC[C@H]2CO)c2ccccc12 ZINC000299803036 571203826 /nfs/dbraw/zinc/20/38/26/571203826.db2.gz UWCSIHDQWBOGEW-INIZCTEOSA-N 1 1 357.454 1.273 50 0 FDAAMO O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)CC1 ZINC000426388197 571218682 /nfs/dbraw/zinc/21/86/82/571218682.db2.gz SVLLYHMMLQPVFN-KRWDZBQOSA-N 1 1 365.499 1.339 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)C1 ZINC000426389879 571219172 /nfs/dbraw/zinc/21/91/72/571219172.db2.gz QXWXOGCMLRPQNC-IAGOWNOFSA-N 1 1 365.380 1.935 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)C1 ZINC000426389879 571219173 /nfs/dbraw/zinc/21/91/73/571219173.db2.gz QXWXOGCMLRPQNC-IAGOWNOFSA-N 1 1 365.380 1.935 50 0 FDAAMO C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC1 ZINC000426421843 571223439 /nfs/dbraw/zinc/22/34/39/571223439.db2.gz LIVQDMDQTGWILH-UHFFFAOYSA-N 1 1 359.451 1.389 50 0 FDAAMO Nc1cnc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)c2)cn1 ZINC000426440425 571225412 /nfs/dbraw/zinc/22/54/12/571225412.db2.gz XSDMVYVSYJTONJ-INIZCTEOSA-N 1 1 355.442 1.302 50 0 FDAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@H+](CCOCCO)C2 ZINC000426518352 571229672 /nfs/dbraw/zinc/22/96/72/571229672.db2.gz QQJIKFRULHVPRS-LJQANCHMSA-N 1 1 368.424 1.788 50 0 FDAAMO Cc1ccc(NCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)[nH+]c1 ZINC000670457941 571355307 /nfs/dbraw/zinc/35/53/07/571355307.db2.gz VLNFSANVJRJFDU-UHFFFAOYSA-N 1 1 363.439 1.942 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@@H](C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000169782023 672040866 /nfs/dbraw/zinc/04/08/66/672040866.db2.gz GIEKUPPGRFXQIB-OAHLLOKOSA-N 1 1 353.488 1.584 50 0 FDAAMO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)C[C@H]1CO ZINC000253414286 672598997 /nfs/dbraw/zinc/59/89/97/672598997.db2.gz WZKGATWGYHQKQH-WCQYABFASA-N 1 1 359.239 1.717 50 0 FDAAMO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)C[C@H]1CO ZINC000253414286 672599000 /nfs/dbraw/zinc/59/90/00/672599000.db2.gz WZKGATWGYHQKQH-WCQYABFASA-N 1 1 359.239 1.717 50 0 FDAAMO CCC[C@]1(CO)CC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000288698875 676041834 /nfs/dbraw/zinc/04/18/34/676041834.db2.gz DQZWJSOJPZBQOW-SFHVURJKSA-N 1 1 370.515 1.800 50 0 FDAAMO COCC[N@@H+]1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000117290224 774748410 /nfs/dbraw/zinc/74/84/10/774748410.db2.gz LNVYXKYYXVOWOQ-OAHLLOKOSA-N 1 1 362.470 1.958 50 0 FDAAMO COCC[N@H+]1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@H]1C ZINC000117290224 774748421 /nfs/dbraw/zinc/74/84/21/774748421.db2.gz LNVYXKYYXVOWOQ-OAHLLOKOSA-N 1 1 362.470 1.958 50 0 FDAAMO CNC(=O)Cn1cc(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cn1 ZINC000065951442 785369760 /nfs/dbraw/zinc/36/97/60/785369760.db2.gz HNOYPGZDEFEYCV-SFHVURJKSA-N 1 1 367.453 1.720 50 0 FDAAMO CCn1cc(C[N@@H+]2CC[C@H](CO)[C@H](NC(=O)c3ccccc3)C2)c(C)n1 ZINC000581799274 787002345 /nfs/dbraw/zinc/00/23/45/787002345.db2.gz OCUSXEIVHNAUHV-IEBWSBKVSA-N 1 1 356.470 1.824 50 0 FDAAMO CCn1cc(C[N@H+]2CC[C@H](CO)[C@H](NC(=O)c3ccccc3)C2)c(C)n1 ZINC000581799274 787002358 /nfs/dbraw/zinc/00/23/58/787002358.db2.gz OCUSXEIVHNAUHV-IEBWSBKVSA-N 1 1 356.470 1.824 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CC[C@@H](Cc3[nH+]cc(C)n3C3CC3)C2)cn1 ZINC000581806141 787013528 /nfs/dbraw/zinc/01/35/28/787013528.db2.gz UDGLDSBKANJIRS-AWEZNQCLSA-N 1 1 363.487 1.996 50 0 FDAAMO C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC[N@H+](C2CCC2)C1 ZINC000293778058 791378363 /nfs/dbraw/zinc/37/83/63/791378363.db2.gz VVCVVROPEGPYLV-ZDUSSCGKSA-N 1 1 355.438 1.859 50 0 FDAAMO CC(=O)N1CCc2nnc([C@@H]3CC[N@@H+](Cc4ccc(C)cn4)C3)n2CC1 ZINC000257194159 794044043 /nfs/dbraw/zinc/04/40/43/794044043.db2.gz SRONAISLNCNQTF-MRXNPFEDSA-N 1 1 354.458 1.376 50 0 FDAAMO Cc1noc(C)c1C(=O)N1CCC2(C[C@H](C(=O)N3CCCC3)[N@@H+](C)C2)CC1 ZINC000675009320 795200273 /nfs/dbraw/zinc/20/02/73/795200273.db2.gz CMWLMAGDMQKEBX-MRXNPFEDSA-N 1 1 374.485 1.840 50 0 FDAAMO COc1cccc(CN2CCn3c(nnc3[C@@H]3C[C@H](O)C[N@@H+]3C(C)C)C2)c1 ZINC000675009286 795200291 /nfs/dbraw/zinc/20/02/91/795200291.db2.gz CCNUBTLMWSCYMK-WMZOPIPTSA-N 1 1 371.485 1.819 50 0 FDAAMO COc1cccc(CN2CCn3c(nnc3[C@@H]3C[C@H](O)C[N@H+]3C(C)C)C2)c1 ZINC000675009286 795200292 /nfs/dbraw/zinc/20/02/92/795200292.db2.gz CCNUBTLMWSCYMK-WMZOPIPTSA-N 1 1 371.485 1.819 50 0 FDAAMO CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCOC(C)(C)C1 ZINC000810043920 845648072 /nfs/dbraw/zinc/64/80/72/845648072.db2.gz UKVGBMRWZHXKJQ-INIZCTEOSA-N 1 1 361.490 1.405 50 0 FDAAMO CCN(Cc1nccn1C)C(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C2)nc1 ZINC000011935336 873891044 /nfs/dbraw/zinc/89/10/44/873891044.db2.gz GSTYYSGFMOCJHZ-MRXNPFEDSA-N 1 1 356.474 1.618 50 0 FDAAMO Cn1cnc2cc(C(=O)NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cnc21 ZINC000181202865 890083083 /nfs/dbraw/zinc/08/30/83/890083083.db2.gz PPIITSZTQPIYPO-QGZVFWFLSA-N 1 1 365.437 1.117 50 0 FDAAMO CC[N@H+]1C[C@H](NC(=O)c2ccc(-c3nnc4ccccn43)cc2)[C@@H](OC)C1 ZINC000824504916 923059964 /nfs/dbraw/zinc/05/99/64/923059964.db2.gz YZFXANYVYWPHMS-IRXDYDNUSA-N 1 1 365.437 1.845 50 0 FDAAMO COc1ccc2nc(C[NH2+]C3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH]c2c1 ZINC000824757910 923203824 /nfs/dbraw/zinc/20/38/24/923203824.db2.gz WCYUNGRMIXWTGO-KRWDZBQOSA-N 1 1 358.442 1.831 50 0 FDAAMO C[C@H](CCc1nc(CC(N)=O)nn1-c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000826841802 924328274 /nfs/dbraw/zinc/32/82/74/924328274.db2.gz AJKHQRBXAHGUOC-CYBMUJFWSA-N 1 1 361.421 1.088 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)CN2CCN(c3cccc(C)c3)CC2)c1C ZINC000827836005 924759114 /nfs/dbraw/zinc/75/91/14/924759114.db2.gz OZACXHFNXHHRBB-UHFFFAOYSA-N 1 1 355.486 1.747 50 0 FDAAMO Cc1cc(CC(=O)N2CCC3(CC2)C[N@H+]([C@H]2CCSC2)CCO3)on1 ZINC000827921395 924776661 /nfs/dbraw/zinc/77/66/61/924776661.db2.gz SEEXOAQUQVFPMC-HNNXBMFYSA-N 1 1 365.499 1.724 50 0 FDAAMO O=C(Cn1cc(C2CC2)nn1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192222112 952870089 /nfs/dbraw/zinc/87/00/89/952870089.db2.gz MECRBGGCABSQDQ-GOSISDBHSA-N 1 1 369.469 1.563 50 0 FDAAMO O=C(c1n[nH]c(=O)c2ccccc21)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000952991927 960286293 /nfs/dbraw/zinc/28/62/93/960286293.db2.gz VACHVRFRSSYTPG-AWEZNQCLSA-N 1 1 356.426 1.254 50 0 FDAAMO CC(C)[N@H+]1CCCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1 ZINC000952982367 960296787 /nfs/dbraw/zinc/29/67/87/960296787.db2.gz GVKSNNWLSLVAAR-UHFFFAOYSA-N 1 1 353.444 1.236 50 0 FDAAMO CCN(C)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358531 1013806389 /nfs/dbraw/zinc/80/63/89/1013806389.db2.gz WTMDGNBLAAAKOJ-ZLGUVYLKSA-N 1 1 371.481 1.756 50 0 FDAAMO COc1cccc([C@@H](O)C[NH+]2CCN(c3ccc4nnc(C)n4n3)CC2)c1 ZINC000115542420 999631619 /nfs/dbraw/zinc/63/16/19/999631619.db2.gz SRMYOENOTPFJLL-KRWDZBQOSA-N 1 1 368.441 1.297 50 0 FDAAMO Cc1c(C(=O)N2CCN(C)CC23CCCCC3)nnn1C1CC[NH2+]CC1 ZINC000237080980 209334039 /nfs/dbraw/zinc/33/40/39/209334039.db2.gz JZLNIQUZKTZKET-UHFFFAOYSA-N 1 1 360.506 1.602 50 0 FDAAMO O[C@@H]1CN(Cc2nc(C(F)(F)F)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC000108273898 209284647 /nfs/dbraw/zinc/28/46/47/209284647.db2.gz ISAXEVWVQDESKG-ZDUSSCGKSA-N 1 1 356.348 1.767 50 0 FDAAMO C[N@@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@@]12CCNC(=O)CC2 ZINC000108014542 209283805 /nfs/dbraw/zinc/28/38/05/209283805.db2.gz DZCLTMXTWKWRQJ-MRXNPFEDSA-N 1 1 371.890 1.315 50 0 FDAAMO C[N@H+]1CCN(S(=O)(=O)c2cccc(Cl)c2)C[C@@]12CCNC(=O)CC2 ZINC000108014542 209283807 /nfs/dbraw/zinc/28/38/07/209283807.db2.gz DZCLTMXTWKWRQJ-MRXNPFEDSA-N 1 1 371.890 1.315 50 0 FDAAMO CC(C)(CNC(=O)[C@H]1CCCCn2nnnc21)[N@H+]1CCc2ccccc2C1 ZINC000097819641 209198487 /nfs/dbraw/zinc/19/84/87/209198487.db2.gz DDCFGXQASAUACF-KRWDZBQOSA-N 1 1 368.485 1.894 50 0 FDAAMO C[N@@H+]1CCCNC(=O)C12CCN(Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000097655451 209191758 /nfs/dbraw/zinc/19/17/58/209191758.db2.gz CKGLMJJKUNNVKT-UHFFFAOYSA-N 1 1 359.499 1.925 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000097655451 209191761 /nfs/dbraw/zinc/19/17/61/209191761.db2.gz CKGLMJJKUNNVKT-UHFFFAOYSA-N 1 1 359.499 1.925 50 0 FDAAMO C[C@@H](NC(=O)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1)c1ncnn1C ZINC000097546559 209185615 /nfs/dbraw/zinc/18/56/15/209185615.db2.gz TXMIVYUVSGIXOJ-CYBMUJFWSA-N 1 1 371.445 1.085 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000097117814 209170566 /nfs/dbraw/zinc/17/05/66/209170566.db2.gz MTJBIAPPMGSNTB-INIZCTEOSA-N 1 1 351.516 1.892 50 0 FDAAMO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000096166653 209130277 /nfs/dbraw/zinc/13/02/77/209130277.db2.gz WKFGPTARPYLYNP-CYBMUJFWSA-N 1 1 373.457 1.273 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2)C[N@H+]1C1CCCC1 ZINC000096163811 209129560 /nfs/dbraw/zinc/12/95/60/209129560.db2.gz VCCMNLFGCBAKBE-WMZOPIPTSA-N 1 1 373.501 1.769 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(c2cc(C(=O)N3CCN(C)CC3)ccn2)C1 ZINC000096162084 209128946 /nfs/dbraw/zinc/12/89/46/209128946.db2.gz CZUNFFBDOUNDKQ-INIZCTEOSA-N 1 1 357.502 1.532 50 0 FDAAMO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)C[N@@H+]1C ZINC000096137436 209119737 /nfs/dbraw/zinc/11/97/37/209119737.db2.gz YDCCTZRTUMMHEX-HIFRSBDPSA-N 1 1 371.403 1.961 50 0 FDAAMO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)C[N@H+]1C ZINC000096137436 209119740 /nfs/dbraw/zinc/11/97/40/209119740.db2.gz YDCCTZRTUMMHEX-HIFRSBDPSA-N 1 1 371.403 1.961 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC3)cc1 ZINC000096142254 209122019 /nfs/dbraw/zinc/12/20/19/209122019.db2.gz KCOGRMJTYFVLPJ-OAHLLOKOSA-N 1 1 356.426 1.349 50 0 FDAAMO C[NH+]1CCN(C(=O)CN2c3cccnc3Oc3ccccc3C2=O)CC1 ZINC000096118883 209115933 /nfs/dbraw/zinc/11/59/33/209115933.db2.gz JNLUTRCUYUUMRO-UHFFFAOYSA-N 1 1 352.394 1.608 50 0 FDAAMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C ZINC000004930469 207063833 /nfs/dbraw/zinc/06/38/33/207063833.db2.gz TZDQJGGASZQTSE-CQSZACIVSA-N 1 1 361.490 1.854 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C ZINC000004930469 207063835 /nfs/dbraw/zinc/06/38/35/207063835.db2.gz TZDQJGGASZQTSE-CQSZACIVSA-N 1 1 361.490 1.854 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004915833 207061856 /nfs/dbraw/zinc/06/18/56/207061856.db2.gz QOGWCZYHHKYMAW-CQSZACIVSA-N 1 1 367.453 1.489 50 0 FDAAMO O=C(C[NH+]1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007780821 207207331 /nfs/dbraw/zinc/20/73/31/207207331.db2.gz FLSGPEDGYJHGRU-UHFFFAOYSA-N 1 1 351.472 1.896 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(C)cc2C)c(=O)[nH]c1=O ZINC000007920802 207211723 /nfs/dbraw/zinc/21/17/23/207211723.db2.gz LUWDVQQLBBPGLW-UHFFFAOYSA-N 1 1 358.442 1.460 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(C)cc2C)c(=O)[nH]c1=O ZINC000007920802 207211727 /nfs/dbraw/zinc/21/17/27/207211727.db2.gz LUWDVQQLBBPGLW-UHFFFAOYSA-N 1 1 358.442 1.460 50 0 FDAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC000010233894 207297260 /nfs/dbraw/zinc/29/72/60/207297260.db2.gz BFGNWXNUWDBKAR-NSHDSACASA-N 1 1 358.446 1.025 50 0 FDAAMO Cc1cc(C[NH2+]Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)on1 ZINC000011812793 207321590 /nfs/dbraw/zinc/32/15/90/207321590.db2.gz QNXNCAJZYRJSCC-KRWDZBQOSA-N 1 1 361.442 1.345 50 0 FDAAMO CC(C)[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@@H]1CCC(=O)N1 ZINC000011661714 207316293 /nfs/dbraw/zinc/31/62/93/207316293.db2.gz YNTIIKKIXJBIRA-ZDUSSCGKSA-N 1 1 358.398 1.954 50 0 FDAAMO CC(C)[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@@H]1CCC(=O)N1 ZINC000011661714 207316295 /nfs/dbraw/zinc/31/62/95/207316295.db2.gz YNTIIKKIXJBIRA-ZDUSSCGKSA-N 1 1 358.398 1.954 50 0 FDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCC(=O)NCCOC)CC1 ZINC000012075251 207336135 /nfs/dbraw/zinc/33/61/35/207336135.db2.gz LDUBWQTWCWTFNW-QGZVFWFLSA-N 1 1 353.507 1.642 50 0 FDAAMO O=C(C1=NNC(=O)CC1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012476297 207383089 /nfs/dbraw/zinc/38/30/89/207383089.db2.gz FWZCEUFQYCQNII-NRFANRHFSA-N 1 1 368.481 1.810 50 0 FDAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)no[n+]2[O-] ZINC000012591646 207398219 /nfs/dbraw/zinc/39/82/19/207398219.db2.gz AXFNYIZYWGLDNJ-QGZVFWFLSA-N 1 1 366.421 1.898 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000029937719 208000846 /nfs/dbraw/zinc/00/08/46/208000846.db2.gz IHDYCTKVICUFOQ-UHFFFAOYSA-N 1 1 356.835 1.734 50 0 FDAAMO CCc1nn2c(nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)cc2=O)s1 ZINC000032753413 208038605 /nfs/dbraw/zinc/03/86/05/208038605.db2.gz NTSMIGMBWPCQIJ-ZDUSSCGKSA-N 1 1 372.450 1.985 50 0 FDAAMO CCc1nn2c(nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)cc2=O)s1 ZINC000032753413 208038612 /nfs/dbraw/zinc/03/86/12/208038612.db2.gz NTSMIGMBWPCQIJ-ZDUSSCGKSA-N 1 1 372.450 1.985 50 0 FDAAMO Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000069810839 208122128 /nfs/dbraw/zinc/12/21/28/208122128.db2.gz PRLPFVCWZHEEBS-ZDUSSCGKSA-N 1 1 355.442 1.425 50 0 FDAAMO COCCN(C[C@H]1C[N@@H+](C(C)(C)CO)CCO1)C(=O)c1ccccc1 ZINC000034691550 208106684 /nfs/dbraw/zinc/10/66/84/208106684.db2.gz MLXSRTBPTCTQHV-KRWDZBQOSA-N 1 1 350.459 1.247 50 0 FDAAMO COCCN(C[C@H]1C[N@H+](C(C)(C)CO)CCO1)C(=O)c1ccccc1 ZINC000034691550 208106687 /nfs/dbraw/zinc/10/66/87/208106687.db2.gz MLXSRTBPTCTQHV-KRWDZBQOSA-N 1 1 350.459 1.247 50 0 FDAAMO COC(=O)c1oc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000040153653 208237577 /nfs/dbraw/zinc/23/75/77/208237577.db2.gz BAYLXGQUILVEFG-CYBMUJFWSA-N 1 1 358.460 1.668 50 0 FDAAMO COC(=O)c1oc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000040153653 208237581 /nfs/dbraw/zinc/23/75/81/208237581.db2.gz BAYLXGQUILVEFG-CYBMUJFWSA-N 1 1 358.460 1.668 50 0 FDAAMO CC[NH+]1CCN(C2(c3nc(CCOC)no3)Cc3ccccc3C2)CC1 ZINC000072137048 208806406 /nfs/dbraw/zinc/80/64/06/208806406.db2.gz GIQSOPZZTBMZBV-UHFFFAOYSA-N 1 1 356.470 1.890 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(NC(N)=O)cc1)C2 ZINC000091858714 209001199 /nfs/dbraw/zinc/00/11/99/209001199.db2.gz DEXSLJFODXORAO-UKRRQHHQSA-N 1 1 366.487 1.672 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)CC1 ZINC000091693779 208989828 /nfs/dbraw/zinc/98/98/28/208989828.db2.gz BQXKQNXFAAOGBB-KRWDZBQOSA-N 1 1 368.485 1.873 50 0 FDAAMO COCCN1CC[C@]2(CN(Cc3c(C)noc3C)CC[N@H+]2C)CCC1=O ZINC000091907709 209004678 /nfs/dbraw/zinc/00/46/78/209004678.db2.gz NTCDQNNABLGMNM-IBGZPJMESA-N 1 1 364.490 1.437 50 0 FDAAMO COc1coc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc1=O ZINC000091973732 209009161 /nfs/dbraw/zinc/00/91/61/209009161.db2.gz KYYRUBUJAOCWDV-GOEBONIOSA-N 1 1 369.421 1.666 50 0 FDAAMO COc1coc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cc1=O ZINC000091973732 209009166 /nfs/dbraw/zinc/00/91/66/209009166.db2.gz KYYRUBUJAOCWDV-GOEBONIOSA-N 1 1 369.421 1.666 50 0 FDAAMO COCC1(C(=O)N[C@H]2C[N@H+](Cc3cnc(N)nc3)C[C@@H]2C2CC2)CCC1 ZINC000091987835 209009654 /nfs/dbraw/zinc/00/96/54/209009654.db2.gz SFYMASLVXPDMFL-CVEARBPZSA-N 1 1 359.474 1.202 50 0 FDAAMO COCC1(C(=O)N[C@H]2C[N@@H+](Cc3cnc(N)nc3)C[C@@H]2C2CC2)CCC1 ZINC000091987835 209009657 /nfs/dbraw/zinc/00/96/57/209009657.db2.gz SFYMASLVXPDMFL-CVEARBPZSA-N 1 1 359.474 1.202 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(OC)c(C)c1)C2 ZINC000092003380 209010407 /nfs/dbraw/zinc/01/04/07/209010407.db2.gz QSPVEYPFEWNWQL-UHFFFAOYSA-N 1 1 372.469 1.869 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(OC)c(C)c1)C2 ZINC000092003380 209010411 /nfs/dbraw/zinc/01/04/11/209010411.db2.gz QSPVEYPFEWNWQL-UHFFFAOYSA-N 1 1 372.469 1.869 50 0 FDAAMO CCC[C@H]1C[N@H+](Cc2nc(C)sc2C)C[C@@H]1NC(=O)CNC(N)=O ZINC000092078790 209017132 /nfs/dbraw/zinc/01/71/32/209017132.db2.gz VYFWBSATTVJUTD-JSGCOSHPSA-N 1 1 353.492 1.145 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2nc(C)sc2C)C[C@@H]1NC(=O)CNC(N)=O ZINC000092078790 209017134 /nfs/dbraw/zinc/01/71/34/209017134.db2.gz VYFWBSATTVJUTD-JSGCOSHPSA-N 1 1 353.492 1.145 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2cccc(O)c2)CC3)C1 ZINC000092080729 209017203 /nfs/dbraw/zinc/01/72/03/209017203.db2.gz RGDYEXFWSLKVLH-QGZVFWFLSA-N 1 1 371.481 1.941 50 0 FDAAMO Cc1ocnc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095354795 209024547 /nfs/dbraw/zinc/02/45/47/209024547.db2.gz HZLRYBAAINHICS-LJQANCHMSA-N 1 1 360.458 1.532 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[NH+](C)C)c1 ZINC000095356675 209025651 /nfs/dbraw/zinc/02/56/51/209025651.db2.gz RSEGUYLRCUMEGU-IBGZPJMESA-N 1 1 373.497 1.695 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000095360295 209027306 /nfs/dbraw/zinc/02/73/06/209027306.db2.gz JZZPMWJOXWZBOY-HNNXBMFYSA-N 1 1 353.488 1.257 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3cc4sccc4[nH]3)C[C@@H]2CO)CC1 ZINC000095360717 209027658 /nfs/dbraw/zinc/02/76/58/209027658.db2.gz LVYYPMDNIFMXSG-ZIAGYGMSSA-N 1 1 362.499 1.157 50 0 FDAAMO CN1CC[C@]2(CN(S(=O)(=O)c3cccc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000095360902 209027841 /nfs/dbraw/zinc/02/78/41/209027841.db2.gz SNMIGDIMABDQPP-KRWDZBQOSA-N 1 1 369.462 1.143 50 0 FDAAMO CN1CC[C@]2(CN(S(=O)(=O)c3cccc(F)c3)CC[N@H+]2C)CCC1=O ZINC000095360902 209027844 /nfs/dbraw/zinc/02/78/44/209027844.db2.gz SNMIGDIMABDQPP-KRWDZBQOSA-N 1 1 369.462 1.143 50 0 FDAAMO Cn1c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2nc1N1CCOCC1 ZINC000095359893 209028125 /nfs/dbraw/zinc/02/81/25/209028125.db2.gz MPVSDDRBWSWBAU-MRXNPFEDSA-N 1 1 369.469 1.330 50 0 FDAAMO CCCn1ccnc1CN1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000092061767 209014902 /nfs/dbraw/zinc/01/49/02/209014902.db2.gz CXEJJLLPWROXAA-XMTFNYHQSA-N 1 1 350.507 1.443 50 0 FDAAMO Cc1ocnc1C(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095388188 209046012 /nfs/dbraw/zinc/04/60/12/209046012.db2.gz RCGXBXPOWFLKSB-CQSZACIVSA-N 1 1 369.429 1.685 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccc(O)c2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095364422 209030930 /nfs/dbraw/zinc/03/09/30/209030930.db2.gz OZXPXFKOCMGXTE-NRFANRHFSA-N 1 1 371.481 1.941 50 0 FDAAMO CN1CC[C@]2(CN(Cc3cnc(-c4ccco4)nc3)CC[N@H+]2C)CCC1=O ZINC000095365402 209031400 /nfs/dbraw/zinc/03/14/00/209031400.db2.gz SWJVOEHOTNEHKK-FQEVSTJZSA-N 1 1 369.469 1.865 50 0 FDAAMO CN1CCN(C[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)CC1 ZINC000095368761 209033449 /nfs/dbraw/zinc/03/34/49/209033449.db2.gz PHTPCWXMKDPQCT-WOJBJXKFSA-N 1 1 369.513 1.160 50 0 FDAAMO CN1CCN(C[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@@H]2CO)CC1 ZINC000095368761 209033453 /nfs/dbraw/zinc/03/34/53/209033453.db2.gz PHTPCWXMKDPQCT-WOJBJXKFSA-N 1 1 369.513 1.160 50 0 FDAAMO O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095375456 209037619 /nfs/dbraw/zinc/03/76/19/209037619.db2.gz FKJMNGPVTCDMNE-ZDUSSCGKSA-N 1 1 356.430 1.797 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)CC2)no1 ZINC000095378814 209037925 /nfs/dbraw/zinc/03/79/25/209037925.db2.gz IRGTUMYEGGXKPM-HNNXBMFYSA-N 1 1 369.469 1.469 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)Cc3ccccc3F)CC[N@H+]2C)CCC1=O ZINC000095378477 209039202 /nfs/dbraw/zinc/03/92/02/209039202.db2.gz GAXKFGXDWHFWHM-HXUWFJFHSA-N 1 1 361.461 1.913 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095381368 209039921 /nfs/dbraw/zinc/03/99/21/209039921.db2.gz RNSHXWFOJUGKEG-GFCCVEGCSA-N 1 1 355.489 1.374 50 0 FDAAMO CSCc1noc(CNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000095392858 209047884 /nfs/dbraw/zinc/04/78/84/209047884.db2.gz WKTMGAIYGITKLZ-LBPRGKRZSA-N 1 1 354.476 1.440 50 0 FDAAMO C[NH+]1CCN([C@@H](C(=O)N2CCC(CCC(N)=O)CC2)c2ccccc2)CC1 ZINC000095453576 209052013 /nfs/dbraw/zinc/05/20/13/209052013.db2.gz FZPTURQLTIAVIN-HXUWFJFHSA-N 1 1 372.513 1.479 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000095506247 209064641 /nfs/dbraw/zinc/06/46/41/209064641.db2.gz WTHCNNMRRABHGB-DOTOQJQBSA-N 1 1 357.458 1.956 50 0 FDAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)COC ZINC000095505343 209064989 /nfs/dbraw/zinc/06/49/89/209064989.db2.gz CVOZRTQUMBGPIJ-QGZVFWFLSA-N 1 1 360.498 1.987 50 0 FDAAMO CC1(C)C[N@H+](Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CCO1 ZINC000095518882 209072783 /nfs/dbraw/zinc/07/27/83/209072783.db2.gz YDYADUBCVCABJP-GOSISDBHSA-N 1 1 364.486 1.369 50 0 FDAAMO CC1(C)C[N@@H+](Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)CCO1 ZINC000095518882 209072786 /nfs/dbraw/zinc/07/27/86/209072786.db2.gz YDYADUBCVCABJP-GOSISDBHSA-N 1 1 364.486 1.369 50 0 FDAAMO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(c2nc(N(C)C)nc(C)c2C)C1 ZINC000091620779 132202669 /nfs/dbraw/zinc/20/26/69/132202669.db2.gz LXMSITBGHCOMDK-SJORKVTESA-N 1 1 365.522 1.172 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(c2nc(N(C)C)nc(C)c2C)C1 ZINC000091620779 132202670 /nfs/dbraw/zinc/20/26/70/132202670.db2.gz LXMSITBGHCOMDK-SJORKVTESA-N 1 1 365.522 1.172 50 0 FDAAMO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](Nc2cc(N)[nH+]cn2)C1 ZINC000092002195 132205519 /nfs/dbraw/zinc/20/55/19/132205519.db2.gz HRXWNXRGZITCEC-CYBMUJFWSA-N 1 1 355.446 1.811 50 0 FDAAMO Cc1cc(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)nc(N2CCCCC2)n1 ZINC000092061620 132205668 /nfs/dbraw/zinc/20/56/68/132205668.db2.gz MHPHURCEDLVMST-FQEVSTJZSA-N 1 1 372.517 1.566 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cnccn2)CC1 ZINC000095362828 132207707 /nfs/dbraw/zinc/20/77/07/132207707.db2.gz UTEANTYOFKPANY-INIZCTEOSA-N 1 1 355.442 1.630 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1 ZINC000101697529 132234008 /nfs/dbraw/zinc/23/40/08/132234008.db2.gz BRCNCWLGRKPIJM-KRWDZBQOSA-N 1 1 368.481 1.505 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(c3ncc(C)c(N)n3)C[C@H]2CCO)cc1 ZINC000106990093 132266002 /nfs/dbraw/zinc/26/60/02/132266002.db2.gz WMWRJFQXVSNINL-QGZVFWFLSA-N 1 1 371.485 1.839 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(c3ncc(C)c(N)n3)C[C@H]2CCO)cc1 ZINC000106990093 132266004 /nfs/dbraw/zinc/26/60/04/132266004.db2.gz WMWRJFQXVSNINL-QGZVFWFLSA-N 1 1 371.485 1.839 50 0 FDAAMO Cc1cccc(N2CCN(CC(=O)N3CCC(c4nc[nH]n4)CC3)CC2)c1 ZINC000221324300 132276319 /nfs/dbraw/zinc/27/63/19/132276319.db2.gz REQZOQXSRBFGIE-UHFFFAOYSA-N 1 1 368.485 1.641 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000252552016 132293425 /nfs/dbraw/zinc/29/34/25/132293425.db2.gz ULHDWCGRINKQLP-IRXDYDNUSA-N 1 1 373.501 1.779 50 0 FDAAMO COc1ccc(Cn2ccc3nc(N4CC[NH+](C)CC4)ncc3c2=O)cc1 ZINC000039404011 136119034 /nfs/dbraw/zinc/11/90/34/136119034.db2.gz JRROPUZKWAXVME-UHFFFAOYSA-N 1 1 365.437 1.600 50 0 FDAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)[C@H]3CCCCN3C2=O)CC1 ZINC000052584304 136124555 /nfs/dbraw/zinc/12/45/55/136124555.db2.gz YIBAHIUJRKGNMN-QGZVFWFLSA-N 1 1 372.469 1.634 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1)N1CCOCC1 ZINC000071419524 136139248 /nfs/dbraw/zinc/13/92/48/136139248.db2.gz PEIRIBSPXLKARZ-MRXNPFEDSA-N 1 1 359.474 1.016 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nccc(C)n3)CC2)C1 ZINC000071753089 136140358 /nfs/dbraw/zinc/14/03/58/136140358.db2.gz AHEIEXRUAPDRRR-MRXNPFEDSA-N 1 1 361.490 1.228 50 0 FDAAMO O=C(NC1CC1)[C@H]1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC[NH2+]1 ZINC000072173940 136143626 /nfs/dbraw/zinc/14/36/26/136143626.db2.gz GJUYFGPWFFWHGY-CYBMUJFWSA-N 1 1 369.391 1.431 50 0 FDAAMO C[N@H+](CCc1ccccn1)Cc1cc2n(n1)CCN(c1ncc(F)cn1)C2 ZINC000072423949 136146291 /nfs/dbraw/zinc/14/62/91/136146291.db2.gz JPXZKRNEZMCAGK-UHFFFAOYSA-N 1 1 367.432 1.902 50 0 FDAAMO C[N@@H+](CCc1ccccn1)Cc1cc2n(n1)CCN(c1ncc(F)cn1)C2 ZINC000072423949 136146292 /nfs/dbraw/zinc/14/62/92/136146292.db2.gz JPXZKRNEZMCAGK-UHFFFAOYSA-N 1 1 367.432 1.902 50 0 FDAAMO COc1nccnc1N1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072453447 136148240 /nfs/dbraw/zinc/14/82/40/136148240.db2.gz PECIVSGBBWCREO-GOSISDBHSA-N 1 1 356.470 1.991 50 0 FDAAMO Cc1nc([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)cc(N2CCOCC2)n1 ZINC000072475228 136149084 /nfs/dbraw/zinc/14/90/84/136149084.db2.gz VYBOERQCYQXPMV-HNNXBMFYSA-N 1 1 359.474 1.080 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)cc(N2CCOCC2)n1 ZINC000072475228 136149085 /nfs/dbraw/zinc/14/90/85/136149085.db2.gz VYBOERQCYQXPMV-HNNXBMFYSA-N 1 1 359.474 1.080 50 0 FDAAMO C[NH+](C)CCn1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)n1 ZINC000173950100 258315453 /nfs/dbraw/zinc/31/54/53/258315453.db2.gz JYSUGZPCJSQSPS-UHFFFAOYSA-N 1 1 364.494 1.021 50 0 FDAAMO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000367286194 260021525 /nfs/dbraw/zinc/02/15/25/260021525.db2.gz JKLHDOPZMXJQEQ-LBPRGKRZSA-N 1 1 366.817 1.813 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCOc3ccccc3C2)C1 ZINC000426404369 263577410 /nfs/dbraw/zinc/57/74/10/263577410.db2.gz SINDZDFXRPXKFW-INIZCTEOSA-N 1 1 360.458 1.178 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000000601255 518216684 /nfs/dbraw/zinc/21/66/84/518216684.db2.gz NTJOBXMMWNYJFB-GFCCVEGCSA-N 1 1 369.487 1.285 50 0 world FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000000601255 518216689 /nfs/dbraw/zinc/21/66/89/518216689.db2.gz NTJOBXMMWNYJFB-GFCCVEGCSA-N 1 1 369.487 1.285 50 0 world FDAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002435941 518241968 /nfs/dbraw/zinc/24/19/68/518241968.db2.gz YJRVKPMIOOOWBZ-UHFFFAOYSA-N 1 1 372.425 1.399 50 0 FDAAMO Cc1nn(CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)c1Br ZINC000002775007 518248895 /nfs/dbraw/zinc/24/88/95/518248895.db2.gz LSNUEYDXMATKRC-CYBMUJFWSA-N 1 1 355.280 1.959 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000004688054 518307120 /nfs/dbraw/zinc/30/71/20/518307120.db2.gz UEQWAIMJMJOTDT-QGZVFWFLSA-N 1 1 373.563 1.819 50 0 FDAAMO NC(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000005773513 518354084 /nfs/dbraw/zinc/35/40/84/518354084.db2.gz HLQJGJYHMBPYHT-MSOLQXFVSA-N 1 1 373.478 1.523 50 0 FDAAMO Cc1cccc(Cn2c(=O)c3c(nc4n3[C@H](C)C(C)=[NH+]N4C)n(C)c2=O)c1 ZINC000008724567 518485049 /nfs/dbraw/zinc/48/50/49/518485049.db2.gz ZGXARTNQLWAMCJ-CYBMUJFWSA-N 1 1 366.425 1.640 50 0 FDAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000008746436 518486578 /nfs/dbraw/zinc/48/65/78/518486578.db2.gz VVBQOUDKUGJYIZ-GOEBONIOSA-N 1 1 365.499 1.781 50 0 FDAAMO Cc1cc2oc(=O)cc(C[NH+]3CCC(NS(C)(=O)=O)CC3)c2cc1C ZINC000011104370 518551438 /nfs/dbraw/zinc/55/14/38/518551438.db2.gz GIDWISYQFMOGTI-UHFFFAOYSA-N 1 1 364.467 1.923 50 0 FDAAMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc1 ZINC000011898969 518578600 /nfs/dbraw/zinc/57/86/00/518578600.db2.gz YCCSVWVNDQKVDS-MRXNPFEDSA-N 1 1 372.425 1.169 50 0 FDAAMO COc1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc(OC)c1OC ZINC000012444475 518615580 /nfs/dbraw/zinc/61/55/80/518615580.db2.gz CYNXDJIPEQEAQJ-UHFFFAOYSA-N 1 1 360.414 1.408 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCC(CO)CC2)nc1 ZINC000012472971 518616142 /nfs/dbraw/zinc/61/61/42/518616142.db2.gz TUJKCNWKBHGGQJ-GOSISDBHSA-N 1 1 360.502 1.895 50 0 FDAAMO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012892159 518640427 /nfs/dbraw/zinc/64/04/27/518640427.db2.gz XAMVTKDWJRBDMD-UHFFFAOYSA-N 1 1 354.410 1.274 50 0 FDAAMO Cc1cc(=O)n2nc(NC[C@H](CC(C)C)[NH+]3CCOCC3)sc2n1 ZINC000012886011 518640864 /nfs/dbraw/zinc/64/08/64/518640864.db2.gz ZUDVYIXUWSQIOC-ZDUSSCGKSA-N 1 1 351.476 1.618 50 0 FDAAMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013479194 518658942 /nfs/dbraw/zinc/65/89/42/518658942.db2.gz DSMNGWOUQMYTJH-MBPVOVBZSA-N 1 1 355.434 1.828 50 0 in-vitro FDAAMO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([N@@H+](C)CCO)CC2 ZINC000014752855 518697803 /nfs/dbraw/zinc/69/78/03/518697803.db2.gz ZWNGSUVQSXRJLB-MRXNPFEDSA-N 1 1 362.518 1.947 50 0 FDAAMO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000017075463 518774398 /nfs/dbraw/zinc/77/43/98/518774398.db2.gz KXSWGCKPPBBLBT-UWVGGRQHSA-N 1 1 367.471 1.858 50 0 FDAAMO O=C(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccon1 ZINC000017178458 518778612 /nfs/dbraw/zinc/77/86/12/518778612.db2.gz ICAGUOOLUJXQHN-INIZCTEOSA-N 1 1 372.425 1.583 50 0 FDAAMO O=C(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccon1 ZINC000017178458 518778618 /nfs/dbraw/zinc/77/86/18/518778618.db2.gz ICAGUOOLUJXQHN-INIZCTEOSA-N 1 1 372.425 1.583 50 0 FDAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000019214377 518804223 /nfs/dbraw/zinc/80/42/23/518804223.db2.gz NOFJBRMGDURIPP-UHFFFAOYSA-N 1 1 359.879 1.188 50 0 FDAAMO Cc1ccc2c(CC(=O)N3CCC[C@H]([NH+]4CCOCC4)C3)cc(=O)oc2c1 ZINC000019740282 518832087 /nfs/dbraw/zinc/83/20/87/518832087.db2.gz SFLHZYBLLWNBOM-KRWDZBQOSA-N 1 1 370.449 1.967 50 0 FDAAMO O=C1C[C@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000019732841 518832438 /nfs/dbraw/zinc/83/24/38/518832438.db2.gz YZLBBZJYXQKKJI-AWEZNQCLSA-N 1 1 372.252 1.235 50 0 FDAAMO O=C(Cn1cnc2ccccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019831711 518837151 /nfs/dbraw/zinc/83/71/51/518837151.db2.gz NBCQAPQXUOCJHL-UHFFFAOYSA-N 1 1 362.433 1.741 50 0 FDAAMO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc2c(c1)OCO2 ZINC000019890565 518839267 /nfs/dbraw/zinc/83/92/67/518839267.db2.gz HLWIOUDNWQLNRK-CYBMUJFWSA-N 1 1 368.345 1.566 50 0 FDAAMO O=C1Nc2ncccc2O[C@@H]1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020218646 518846946 /nfs/dbraw/zinc/84/69/46/518846946.db2.gz UWWDDFGVXDFNNV-GOSISDBHSA-N 1 1 352.438 1.989 50 0 FDAAMO OCC[NH+]1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 ZINC000020589996 518852651 /nfs/dbraw/zinc/85/26/51/518852651.db2.gz MGXXXQYKISEDAX-UHFFFAOYSA-N 1 1 372.860 1.642 50 0 FDAAMO CC(C)NC(=O)c1cn(CC[NH+]2CCN(C/C=C/c3ccco3)CC2)nn1 ZINC000020999613 518863515 /nfs/dbraw/zinc/86/35/15/518863515.db2.gz UHTXMPGKWTUPRR-HWKANZROSA-N 1 1 372.473 1.340 50 0 FDAAMO COc1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)c(OC)c1 ZINC000021637872 518878593 /nfs/dbraw/zinc/87/85/93/518878593.db2.gz KLNHSLQJBZOGFG-UHFFFAOYSA-N 1 1 371.441 1.806 50 0 FDAAMO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1CC[NH+](C)CC1 ZINC000022587123 518904383 /nfs/dbraw/zinc/90/43/83/518904383.db2.gz JDEWJGBPKUPKBW-UHFFFAOYSA-N 1 1 367.471 1.622 50 0 FDAAMO Cc1cc(=O)n2nc(CN3CC[NH+](Cc4cccs4)CC3)sc2n1 ZINC000022792993 518912662 /nfs/dbraw/zinc/91/26/62/518912662.db2.gz VQXAAXZVSROJDJ-UHFFFAOYSA-N 1 1 361.496 1.839 50 0 FDAAMO CC1(C)CC[N@H+](Cc2cn(C[C@@H]3CCCN(S(C)(=O)=O)C3)nn2)C1 ZINC000023153664 518932998 /nfs/dbraw/zinc/93/29/98/518932998.db2.gz CCKCKAVEKXTOHO-AWEZNQCLSA-N 1 1 355.508 1.182 50 0 FDAAMO CC1(C)CC[N@@H+](Cc2cn(C[C@@H]3CCCN(S(C)(=O)=O)C3)nn2)C1 ZINC000023153664 518933003 /nfs/dbraw/zinc/93/30/03/518933003.db2.gz CCKCKAVEKXTOHO-AWEZNQCLSA-N 1 1 355.508 1.182 50 0 FDAAMO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)CC1 ZINC000023374900 518948939 /nfs/dbraw/zinc/94/89/39/518948939.db2.gz DGPZUBPJKAYLNA-HNNXBMFYSA-N 1 1 351.447 1.510 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000024573499 518996770 /nfs/dbraw/zinc/99/67/70/518996770.db2.gz HDDJPTMUWORHFE-CQSZACIVSA-N 1 1 351.447 1.505 50 0 FDAAMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000024835917 519017730 /nfs/dbraw/zinc/01/77/30/519017730.db2.gz CLELAKNAMXXCFE-CABCVRRESA-N 1 1 361.442 1.302 50 0 FDAAMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000024835917 519017738 /nfs/dbraw/zinc/01/77/38/519017738.db2.gz CLELAKNAMXXCFE-CABCVRRESA-N 1 1 361.442 1.302 50 0 FDAAMO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH+]1CCCC1 ZINC000024840898 519020055 /nfs/dbraw/zinc/02/00/55/519020055.db2.gz JPPXDTMRIFJZLA-UHFFFAOYSA-N 1 1 354.476 1.037 50 0 FDAAMO CC(C)C[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000024981204 519027164 /nfs/dbraw/zinc/02/71/64/519027164.db2.gz BBZBDLPPKZQOON-OAHLLOKOSA-N 1 1 373.453 1.389 50 0 FDAAMO C[N@@H+](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)[C@H]1CCc2ccccc21 ZINC000025047712 519035424 /nfs/dbraw/zinc/03/54/24/519035424.db2.gz FSECVULYRUEAED-KRWDZBQOSA-N 1 1 366.421 1.442 50 0 FDAAMO Cc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)c(F)c1 ZINC000028835421 519251928 /nfs/dbraw/zinc/25/19/28/519251928.db2.gz DBHSEABHVWMJRO-HNNXBMFYSA-N 1 1 363.433 1.326 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccnc2-n2cncn2)CC1 ZINC000029921377 519332228 /nfs/dbraw/zinc/33/22/28/519332228.db2.gz FLGHMVNGHWRKEJ-UHFFFAOYSA-N 1 1 362.437 1.929 50 0 FDAAMO COc1ccc(NC(=O)C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000033435690 519587869 /nfs/dbraw/zinc/58/78/69/519587869.db2.gz BFBZGGLBFGCQSL-CABCVRRESA-N 1 1 353.422 1.915 50 0 FDAAMO COc1ccc(NC(=O)C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000033435690 519587878 /nfs/dbraw/zinc/58/78/78/519587878.db2.gz BFBZGGLBFGCQSL-CABCVRRESA-N 1 1 353.422 1.915 50 0 FDAAMO CC(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000040087050 519639795 /nfs/dbraw/zinc/63/97/95/519639795.db2.gz MQLSTGOVPDUNSR-FQEVSTJZSA-N 1 1 372.513 1.321 50 0 FDAAMO CCCC[N@@H+](CC)CCNS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2 ZINC000020491763 520474769 /nfs/dbraw/zinc/47/47/69/520474769.db2.gz NWMZQDHVUKODDL-UHFFFAOYSA-N 1 1 369.487 1.726 50 0 FDAAMO CCOc1ccc(C(=O)NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000020406910 520902340 /nfs/dbraw/zinc/90/23/40/520902340.db2.gz LSEXBWUDHXGDAP-UHFFFAOYSA-N 1 1 351.472 1.412 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019867623 520952413 /nfs/dbraw/zinc/95/24/13/520952413.db2.gz QPCJYNKAGOAZLO-MRXNPFEDSA-N 1 1 356.850 1.992 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1NC(=O)CNC(N)=O ZINC000091585981 521222190 /nfs/dbraw/zinc/22/21/90/521222190.db2.gz BSPCKKLXRANUCN-ZFWWWQNUSA-N 1 1 352.866 1.725 50 0 FDAAMO CC[NH+]1CCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000020920501 521686703 /nfs/dbraw/zinc/68/67/03/521686703.db2.gz LYWYTJFYASBHQX-LJQANCHMSA-N 1 1 367.440 1.456 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(F)c2)C[N@H+]1CC(C)C ZINC000091391092 521744774 /nfs/dbraw/zinc/74/47/74/521744774.db2.gz NANBIXCOISPJGQ-HOCLYGCPSA-N 1 1 365.449 1.425 50 0 FDAAMO C[NH+](C)Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CCO)C3)CC2)o1 ZINC000091655800 521895382 /nfs/dbraw/zinc/89/53/82/521895382.db2.gz GDUZTNSRUGQPQS-UHFFFAOYSA-N 1 1 363.458 1.178 50 0 FDAAMO CNC(=S)N(CCC[NH+]1CCOCC1)Cc1ccc(OC)c(OC)c1 ZINC000020650100 521928109 /nfs/dbraw/zinc/92/81/09/521928109.db2.gz XLJFPDMKSLAJSA-UHFFFAOYSA-N 1 1 367.515 1.732 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 ZINC000070715074 522018730 /nfs/dbraw/zinc/01/87/30/522018730.db2.gz IULKKMJNMNRVLM-QGZVFWFLSA-N 1 1 355.438 1.785 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 ZINC000057531453 522104376 /nfs/dbraw/zinc/10/43/76/522104376.db2.gz IXBCUALKWVVOPR-YJBOKZPZSA-N 1 1 354.454 1.930 50 0 FDAAMO O=C(NCc1ccncn1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071416292 522115319 /nfs/dbraw/zinc/11/53/19/522115319.db2.gz KSSWASROCAHAFN-INIZCTEOSA-N 1 1 371.485 1.206 50 0 FDAAMO CC[C@H]1C[N@@H+](CCCn2nnnc2C)CCC(=O)N1Cc1ccccc1 ZINC000071721627 522120799 /nfs/dbraw/zinc/12/07/99/522120799.db2.gz VSNLGHMFNGYBKB-SFHVURJKSA-N 1 1 356.474 1.885 50 0 FDAAMO CCOCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071750663 522125147 /nfs/dbraw/zinc/12/51/47/522125147.db2.gz LCFJSZPIAUHVOU-LJQANCHMSA-N 1 1 374.529 1.911 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cncc(F)c3)CC2)C1 ZINC000071758906 522127007 /nfs/dbraw/zinc/12/70/07/522127007.db2.gz ZOTNJGLDOZLSEF-CQSZACIVSA-N 1 1 374.460 1.816 50 0 FDAAMO CCOCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071763149 522129762 /nfs/dbraw/zinc/12/97/62/522129762.db2.gz VQTAXACPXMCHNE-LJQANCHMSA-N 1 1 374.529 1.911 50 0 FDAAMO [NH3+]C1(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000072144369 522169584 /nfs/dbraw/zinc/16/95/84/522169584.db2.gz BILOCLTVTSJILW-BMGDILEWSA-N 1 1 355.438 1.295 50 0 FDAAMO NC(=O)CN1CCC[C@]2(CO)C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]12 ZINC000072150510 522175047 /nfs/dbraw/zinc/17/50/47/522175047.db2.gz WSQNNJLXAGPJRI-SJLPKXTDSA-N 1 1 351.878 1.474 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@]2(CO)CN(Cc3ccc(Cl)cc3)CC[C@@H]12 ZINC000072150510 522175053 /nfs/dbraw/zinc/17/50/53/522175053.db2.gz WSQNNJLXAGPJRI-SJLPKXTDSA-N 1 1 351.878 1.474 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@]2(CO)CN(Cc3ccc(Cl)cc3)CC[C@@H]12 ZINC000072150510 522175061 /nfs/dbraw/zinc/17/50/61/522175061.db2.gz WSQNNJLXAGPJRI-SJLPKXTDSA-N 1 1 351.878 1.474 50 0 FDAAMO Cn1ccnc1SCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000057912590 522182175 /nfs/dbraw/zinc/18/21/75/522182175.db2.gz KOEQDIHAJDIYKY-UHFFFAOYSA-N 1 1 352.504 1.664 50 0 FDAAMO Cn1cc(NC(=O)CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000072163378 522189828 /nfs/dbraw/zinc/18/98/28/522189828.db2.gz BOXADMINQLXDRV-IBGZPJMESA-N 1 1 355.486 1.998 50 0 FDAAMO CC(C)Cc1noc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)C)n1 ZINC000072166162 522191213 /nfs/dbraw/zinc/19/12/13/522191213.db2.gz IDDHUUHWEMQAJH-CQSZACIVSA-N 1 1 365.478 1.073 50 0 FDAAMO CC(C)Cc1noc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)C)n1 ZINC000072166162 522191219 /nfs/dbraw/zinc/19/12/19/522191219.db2.gz IDDHUUHWEMQAJH-CQSZACIVSA-N 1 1 365.478 1.073 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cc(C(C)(C)C)n[nH]1 ZINC000072167808 522194504 /nfs/dbraw/zinc/19/45/04/522194504.db2.gz DVYCEOCRFZJMJP-OAHLLOKOSA-N 1 1 363.506 1.560 50 0 FDAAMO C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000058185388 522219205 /nfs/dbraw/zinc/21/92/05/522219205.db2.gz AONBUQJSBSLUFW-OXJNMPFZSA-N 1 1 369.421 1.466 50 0 FDAAMO CN(C)Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)nc3)C2)n1C ZINC000072409043 522240366 /nfs/dbraw/zinc/24/03/66/522240366.db2.gz LBZHWUGYHIRUHC-INIZCTEOSA-N 1 1 357.506 1.717 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000058342925 522247862 /nfs/dbraw/zinc/24/78/62/522247862.db2.gz OFQWOLQIGXSUGJ-HNNXBMFYSA-N 1 1 357.458 1.418 50 0 FDAAMO CN(C)c1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1 ZINC000091656319 522257107 /nfs/dbraw/zinc/25/71/07/522257107.db2.gz CTBPUJKFTBQQOZ-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CN(C)c1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091656319 522257114 /nfs/dbraw/zinc/25/71/14/522257114.db2.gz CTBPUJKFTBQQOZ-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CN(C)c1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091656319 522257128 /nfs/dbraw/zinc/25/71/28/522257128.db2.gz CTBPUJKFTBQQOZ-RTBURBONSA-N 1 1 374.529 1.071 50 0 FDAAMO CN(C)C(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(OCCn2ccnc2)cc1 ZINC000072428934 522263516 /nfs/dbraw/zinc/26/35/16/522263516.db2.gz FDCYFKDORGLWHY-SFHVURJKSA-N 1 1 372.469 1.641 50 0 FDAAMO CN(C)C(=O)C[C@H]1COCC[N@H+]1Cc1ccc(OCCn2ccnc2)cc1 ZINC000072428934 522263529 /nfs/dbraw/zinc/26/35/29/522263529.db2.gz FDCYFKDORGLWHY-SFHVURJKSA-N 1 1 372.469 1.641 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091644431 522578873 /nfs/dbraw/zinc/57/88/73/522578873.db2.gz FXHOBKSBHJRMBI-FQEVSTJZSA-N 1 1 374.485 1.466 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nccnc2NC(=O)c2ccccc2)CC1 ZINC000065228740 522791767 /nfs/dbraw/zinc/79/17/67/522791767.db2.gz UFJTZEQWAMJOJO-UHFFFAOYSA-N 1 1 353.426 1.895 50 0 FDAAMO CC(=O)N1CCC([NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000065371848 522809099 /nfs/dbraw/zinc/80/90/99/522809099.db2.gz CUKVLIORQXZVSK-UHFFFAOYSA-N 1 1 363.409 1.690 50 0 FDAAMO CC(C)(CN1CCN(c2ccc(Cl)nn2)CC1)C[NH+]1CCOCC1 ZINC000065370091 522809510 /nfs/dbraw/zinc/80/95/10/522809510.db2.gz WFYJOCYDPXQDQK-UHFFFAOYSA-N 1 1 353.898 1.610 50 0 FDAAMO CCc1ccc(N([C@H](C)C(=O)N2CC[NH+](CC)CC2)S(C)(=O)=O)cc1 ZINC000065363813 522810533 /nfs/dbraw/zinc/81/05/33/522810533.db2.gz YGGAYHRCNKBHKB-OAHLLOKOSA-N 1 1 367.515 1.568 50 0 FDAAMO O=C1CCCN1Cc1ccccc1CNc1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000065387261 522813010 /nfs/dbraw/zinc/81/30/10/522813010.db2.gz VPAWHIKDRUDKAL-KRWDZBQOSA-N 1 1 367.453 1.782 50 0 FDAAMO CCc1ccc2oc(=O)cc(CN3CC[NH+](CCn4cncn4)CC3)c2c1 ZINC000065382727 522813324 /nfs/dbraw/zinc/81/33/24/522813324.db2.gz RLXIPYXQUGRUPQ-UHFFFAOYSA-N 1 1 367.453 1.765 50 0 FDAAMO CCn1ncnc1[C@@H]1CC(=O)Nc2cc(NC(=O)C[NH+]3CCCC3)ccc21 ZINC000065454251 522822531 /nfs/dbraw/zinc/82/25/31/522822531.db2.gz YCWKROICEWWOAR-OAHLLOKOSA-N 1 1 368.441 1.806 50 0 FDAAMO COCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000065541457 522834367 /nfs/dbraw/zinc/83/43/67/522834367.db2.gz RGPNNJHLZQYSQJ-CYBMUJFWSA-N 1 1 353.850 1.387 50 0 FDAAMO Cc1cc(C(=O)N2CC[C@](O)(c3ccccc3)[C@H]([NH+]3CCCC3)C2)n[nH]1 ZINC000075403491 522913111 /nfs/dbraw/zinc/91/31/11/522913111.db2.gz IPTNCOGUXIYMHL-QUCCMNQESA-N 1 1 354.454 1.916 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000075550208 522931988 /nfs/dbraw/zinc/93/19/88/522931988.db2.gz VFVXROFLSSDWHP-UHFFFAOYSA-N 1 1 369.469 1.682 50 0 FDAAMO C[N@@H+](CCn1ccnc1)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000216538142 523008852 /nfs/dbraw/zinc/00/88/52/523008852.db2.gz GKVYBHOOYBHOIH-UHFFFAOYSA-N 1 1 358.442 1.253 50 0 FDAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1cccc2cccnc21 ZINC000078599473 523092106 /nfs/dbraw/zinc/09/21/06/523092106.db2.gz GCUQALIGMYVUCJ-INIZCTEOSA-N 1 1 357.458 1.307 50 0 FDAAMO CCOc1ccccc1[C@H]1NC(=O)NC(C[NH+]2CCCC2)=C1C(=O)OC ZINC000067287844 523381442 /nfs/dbraw/zinc/38/14/42/523381442.db2.gz FRTFCAUPWPIHHJ-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO O[C@@]1(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)CNCCOC1 ZINC000077554436 523383032 /nfs/dbraw/zinc/38/30/32/523383032.db2.gz GAYGAZVQKHVRKN-GOSISDBHSA-N 1 1 362.499 1.159 50 0 FDAAMO O[C@@]1(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)CNCCOC1 ZINC000077554436 523383039 /nfs/dbraw/zinc/38/30/39/523383039.db2.gz GAYGAZVQKHVRKN-GOSISDBHSA-N 1 1 362.499 1.159 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067540249 523487520 /nfs/dbraw/zinc/48/75/20/523487520.db2.gz QMFOCCNUIMMTPY-UHFFFAOYSA-N 1 1 363.425 1.997 50 0 FDAAMO CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1c1cccc(F)c1F ZINC000067724639 523561999 /nfs/dbraw/zinc/56/19/99/523561999.db2.gz OETOIWMADLKOTA-NOLJZWGESA-N 1 1 369.412 1.431 50 0 FDAAMO COCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(C(=O)OC)n3)C2)C1 ZINC000067804041 523589664 /nfs/dbraw/zinc/58/96/64/523589664.db2.gz PMQXHPRJQZXAET-LJQANCHMSA-N 1 1 361.442 1.329 50 0 FDAAMO O=C1N(CCc2ccccc2)CCC[C@]1(O)CNCC12CCC[NH+]1CCC2 ZINC000067850235 523609299 /nfs/dbraw/zinc/60/92/99/523609299.db2.gz ARVOSFMSZAGMQQ-QFIPXVFZSA-N 1 1 371.525 1.801 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(C(C)C)oc2C)C[C@@H]1CO ZINC000091664628 523619108 /nfs/dbraw/zinc/61/91/08/523619108.db2.gz RESCBJLVWWGJNK-HZPDHXFCSA-N 1 1 352.475 1.970 50 0 FDAAMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067920472 523633809 /nfs/dbraw/zinc/63/38/09/523633809.db2.gz CAYPJCRTJJBNSG-MRXNPFEDSA-N 1 1 371.485 1.617 50 0 FDAAMO CC(C)(CNC(=O)[C@H]1CCCN(CC(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000055167619 523758479 /nfs/dbraw/zinc/75/84/79/523758479.db2.gz WDUSFKWLPRECGN-SFHVURJKSA-N 1 1 372.513 1.137 50 0 FDAAMO CC(C)(CNC(=O)[C@H]1CCCN(CC(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000055167619 523758482 /nfs/dbraw/zinc/75/84/82/523758482.db2.gz WDUSFKWLPRECGN-SFHVURJKSA-N 1 1 372.513 1.137 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)CCCN3CCCCC3=O)C2)CC1 ZINC000020453181 523770737 /nfs/dbraw/zinc/77/07/37/523770737.db2.gz MODZGIRXUYFTLS-KRWDZBQOSA-N 1 1 364.534 1.454 50 0 FDAAMO C[NH+]1CCC(N2CCC[C@H](NC(=O)CCCN3CCCCC3=O)C2)CC1 ZINC000020453181 523770740 /nfs/dbraw/zinc/77/07/40/523770740.db2.gz MODZGIRXUYFTLS-KRWDZBQOSA-N 1 1 364.534 1.454 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)NC23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)C1 ZINC000244723640 523868853 /nfs/dbraw/zinc/86/88/53/523868853.db2.gz MEWVNBJHKDLPAC-JTMYGCHMSA-N 1 1 373.501 1.411 50 0 FDAAMO CN1C[C@@H](C(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)CC1=O ZINC000082171067 524006237 /nfs/dbraw/zinc/00/62/37/524006237.db2.gz CEQWFHMJJZAAAP-HNNXBMFYSA-N 1 1 373.501 1.516 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1NS(C)(=O)=O ZINC000082087934 524207380 /nfs/dbraw/zinc/20/73/80/524207380.db2.gz QOMOXORCSRDJEH-LSDHHAIUSA-N 1 1 354.472 1.463 50 0 FDAAMO C[C@H](CN1CCOCC1)C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082114611 524212441 /nfs/dbraw/zinc/21/24/41/524212441.db2.gz WMYQIAGWKGVIDV-GOSISDBHSA-N 1 1 371.525 1.656 50 0 FDAAMO C[C@H](CN1CCOCC1)C(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082114611 524212450 /nfs/dbraw/zinc/21/24/50/524212450.db2.gz WMYQIAGWKGVIDV-GOSISDBHSA-N 1 1 371.525 1.656 50 0 FDAAMO CCc1nc(C[NH+]2CCC(CNC(=O)c3nccnc3N)CC2)cs1 ZINC000111646528 524316448 /nfs/dbraw/zinc/31/64/48/524316448.db2.gz YLVSXZPAXIDRFG-UHFFFAOYSA-N 1 1 360.487 1.720 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000089977210 524565728 /nfs/dbraw/zinc/56/57/28/524565728.db2.gz SCSUSMZEZLULMV-VVLHAWIVSA-N 1 1 350.507 1.950 50 0 FDAAMO C[C@@H](CNC(=O)N1CCN(c2ncccc2F)CC1)C[NH+]1CCOCC1 ZINC000090588142 524605402 /nfs/dbraw/zinc/60/54/02/524605402.db2.gz WYSVLAWSNRKQFY-HNNXBMFYSA-N 1 1 365.453 1.021 50 0 FDAAMO COc1ccccc1OC1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000082138495 524654119 /nfs/dbraw/zinc/65/41/19/524654119.db2.gz OZSBHRQGKOPCKB-MRXNPFEDSA-N 1 1 361.486 1.701 50 0 FDAAMO Cc1c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)cnn1C ZINC000091391294 524699798 /nfs/dbraw/zinc/69/97/98/524699798.db2.gz KDXLLBISAMXBEB-AEFFLSMTSA-N 1 1 363.506 1.031 50 0 FDAAMO Cc1c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)cnn1C ZINC000091391294 524699808 /nfs/dbraw/zinc/69/98/08/524699808.db2.gz KDXLLBISAMXBEB-AEFFLSMTSA-N 1 1 363.506 1.031 50 0 FDAAMO COc1coc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)cc1=O ZINC000091643940 524750704 /nfs/dbraw/zinc/75/07/04/524750704.db2.gz ONELMOZFZQWOLW-JKSUJKDBSA-N 1 1 369.421 1.780 50 0 FDAAMO COc1coc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)cc1=O ZINC000091643940 524750712 /nfs/dbraw/zinc/75/07/12/524750712.db2.gz ONELMOZFZQWOLW-JKSUJKDBSA-N 1 1 369.421 1.780 50 0 FDAAMO NC(=O)c1cccc(C[C@H]2CCN(C(=O)CCC[NH+]3CCOCC3)C2)c1 ZINC000091713488 524765600 /nfs/dbraw/zinc/76/56/00/524765600.db2.gz RCBMJCQATFRNGH-QGZVFWFLSA-N 1 1 359.470 1.289 50 0 FDAAMO COCC[N@H+]1C[C@H](NC(=O)CCN2CCCCCC2=O)[C@@H](C2CC2)C1 ZINC000091713956 524765934 /nfs/dbraw/zinc/76/59/34/524765934.db2.gz YHGYAEVYTNJIKO-SJORKVTESA-N 1 1 351.491 1.252 50 0 FDAAMO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)CCC[NH+]3CCOCC3)C2)c1 ZINC000091713487 524767093 /nfs/dbraw/zinc/76/70/93/524767093.db2.gz RCBMJCQATFRNGH-KRWDZBQOSA-N 1 1 359.470 1.289 50 0 FDAAMO COc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)ccc1O ZINC000091745536 524771703 /nfs/dbraw/zinc/77/17/03/524771703.db2.gz IOSGGKGFDOKLJW-DZGCQCFKSA-N 1 1 361.442 1.025 50 0 FDAAMO COc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)ccc1O ZINC000091745536 524771705 /nfs/dbraw/zinc/77/17/05/524771705.db2.gz IOSGGKGFDOKLJW-DZGCQCFKSA-N 1 1 361.442 1.025 50 0 FDAAMO COc1cc(CN2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc(Cl)c1OCC(N)=O ZINC000093614747 524994910 /nfs/dbraw/zinc/99/49/10/524994910.db2.gz QCDUXZPNHLOEEO-UONOGXRCSA-N 1 1 367.877 1.881 50 0 FDAAMO Cc1c2cc(F)ccc2n(C)c1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097446907 525183485 /nfs/dbraw/zinc/18/34/85/525183485.db2.gz CJNKFUDMTAIJSW-ZDUSSCGKSA-N 1 1 360.433 1.553 50 0 FDAAMO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000170637839 525652173 /nfs/dbraw/zinc/65/21/73/525652173.db2.gz ZEAFWIYKFFUZDW-CQSZACIVSA-N 1 1 361.508 1.211 50 0 FDAAMO Cc1cc(C)n(-c2cccc(C(=O)N3CCN4CC[N@H+](C)C[C@H]4C3)c2)n1 ZINC000106264259 525684054 /nfs/dbraw/zinc/68/40/54/525684054.db2.gz PSXQREGCXLPCEW-IBGZPJMESA-N 1 1 353.470 1.561 50 0 FDAAMO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCCC[NH+]1CCOCC1 ZINC000020546735 525966484 /nfs/dbraw/zinc/96/64/84/525966484.db2.gz XIFADTMPGURQTH-UHFFFAOYSA-N 1 1 360.410 1.188 50 0 FDAAMO Cc1cc(CN2CCN(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)CC2)on1 ZINC000133707483 526083755 /nfs/dbraw/zinc/08/37/55/526083755.db2.gz DSXDPLBYPYXYMR-KRWDZBQOSA-N 1 1 363.506 1.788 50 0 FDAAMO C[C@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089478876 526084923 /nfs/dbraw/zinc/08/49/23/526084923.db2.gz YGJDTYBBIPCVMV-OKCRPCIYSA-N 1 1 370.541 1.934 50 0 FDAAMO O=C(c1nc2ccccn2c1CN1CC[N@H+]2CCC[C@H]2C1)N1CCOCC1 ZINC000244748645 526918475 /nfs/dbraw/zinc/91/84/75/526918475.db2.gz OLQORZBXBFQHHR-INIZCTEOSA-N 1 1 369.469 1.087 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(c3ccnc(C)n3)CC2)n1C ZINC000091536145 527451932 /nfs/dbraw/zinc/45/19/32/527451932.db2.gz VKRLPRRIRVEFGX-UHFFFAOYSA-N 1 1 352.446 1.851 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000095529494 535169083 /nfs/dbraw/zinc/16/90/83/535169083.db2.gz HBFHVLKCPCXFRY-AWEZNQCLSA-N 1 1 357.462 1.122 50 0 FDAAMO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095529494 535169086 /nfs/dbraw/zinc/16/90/86/535169086.db2.gz HBFHVLKCPCXFRY-AWEZNQCLSA-N 1 1 357.462 1.122 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095529494 535169090 /nfs/dbraw/zinc/16/90/90/535169090.db2.gz HBFHVLKCPCXFRY-AWEZNQCLSA-N 1 1 357.462 1.122 50 0 FDAAMO CCO[C@H]1CN(C)C[C@@H]1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095361948 535634708 /nfs/dbraw/zinc/63/47/08/535634708.db2.gz VXFIDNJUQHUCJX-PMACEKPBSA-N 1 1 374.529 1.342 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)CC2)c1 ZINC000247521659 537129158 /nfs/dbraw/zinc/12/91/58/537129158.db2.gz WTRBQKFCDCCJFG-QUCCMNQESA-N 1 1 356.514 1.812 50 0 FDAAMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)C1 ZINC000248561913 537192116 /nfs/dbraw/zinc/19/21/16/537192116.db2.gz NUBVHTOMQVYBSV-GDBMZVCRSA-N 1 1 365.499 1.714 50 0 FDAAMO CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000252509382 537250447 /nfs/dbraw/zinc/25/04/47/537250447.db2.gz YMONKWZLNNRELG-MRXNPFEDSA-N 1 1 358.442 1.603 50 0 FDAAMO Cc1c[nH+]c(C[C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1C(C)C ZINC000257189370 537252597 /nfs/dbraw/zinc/25/25/97/537252597.db2.gz NSRASZUXSVKSPE-AWEZNQCLSA-N 1 1 351.476 1.759 50 0 FDAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H]4C[C@@H](O)CN4C)n3CC2)c1 ZINC000257189293 537252616 /nfs/dbraw/zinc/25/26/16/537252616.db2.gz NPFSCLDCRIKSCE-WBVHZDCISA-N 1 1 357.458 1.083 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCCC1)c1cn2cccnc2n1 ZINC000215326428 537436278 /nfs/dbraw/zinc/43/62/78/537436278.db2.gz WKESFDOMWKTEHS-UHFFFAOYSA-N 1 1 357.458 1.884 50 0 FDAAMO COc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)NC3=O)c1OCCn1ccnc1 ZINC000215621911 537440095 /nfs/dbraw/zinc/44/00/95/537440095.db2.gz PAEJBZLBAXGLBY-SJORKVTESA-N 1 1 370.453 1.681 50 0 FDAAMO COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)NC3=O)c1OCCn1ccnc1 ZINC000215621911 537440102 /nfs/dbraw/zinc/44/01/02/537440102.db2.gz PAEJBZLBAXGLBY-SJORKVTESA-N 1 1 370.453 1.681 50 0 FDAAMO Cn1c(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1-c1ccccc1 ZINC000216045061 537445096 /nfs/dbraw/zinc/44/50/96/537445096.db2.gz JGDLTOZUIDNESH-MRXNPFEDSA-N 1 1 354.454 1.619 50 0 FDAAMO Cn1ccnc1[C@H](O)C1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000220757759 537496531 /nfs/dbraw/zinc/49/65/31/537496531.db2.gz BGCNLLZJEDECKL-HXUWFJFHSA-N 1 1 368.481 1.750 50 0 FDAAMO Cn1ccnc1[C@H](O)C1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000220757759 537496537 /nfs/dbraw/zinc/49/65/37/537496537.db2.gz BGCNLLZJEDECKL-HXUWFJFHSA-N 1 1 368.481 1.750 50 0 FDAAMO C[NH+](C)[C@H]1CCN(CC(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000223643043 537531793 /nfs/dbraw/zinc/53/17/93/537531793.db2.gz CBXWBAUNJRLCSB-AWEZNQCLSA-N 1 1 363.893 1.901 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](O)C1 ZINC000299776409 537595425 /nfs/dbraw/zinc/59/54/25/537595425.db2.gz BBMDOSJOAILBFU-IAGOWNOFSA-N 1 1 365.380 1.935 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](O)C1 ZINC000299776409 537595432 /nfs/dbraw/zinc/59/54/32/537595432.db2.gz BBMDOSJOAILBFU-IAGOWNOFSA-N 1 1 365.380 1.935 50 0 FDAAMO O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000241965746 537647246 /nfs/dbraw/zinc/64/72/46/537647246.db2.gz UVGYGXNBLDJCBR-RTBURBONSA-N 1 1 357.498 1.803 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@H](O)C1 ZINC000244652066 537649183 /nfs/dbraw/zinc/64/91/83/537649183.db2.gz GZDOYBYYZPCYGM-RVZJWNSFSA-N 1 1 354.397 1.615 50 0 FDAAMO OCCNc1nc(N(Cc2cccnc2)C2CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426739082 538127089 /nfs/dbraw/zinc/12/70/89/538127089.db2.gz POTOZXIIPVTMMR-OAHLLOKOSA-N 1 1 355.442 1.949 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000426552116 570615746 /nfs/dbraw/zinc/61/57/46/570615746.db2.gz UTDCPQUSLUKELV-FUHWJXTLSA-N 1 1 373.501 1.747 50 0 FDAAMO O=C([C@H]1CCCO1)N1CCN(c2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000065200180 570819608 /nfs/dbraw/zinc/81/96/08/570819608.db2.gz VXYIBFLGCONXJY-MRXNPFEDSA-N 1 1 364.515 1.957 50 0 FDAAMO CCOCCCNC(=O)C1CC[NH+](Cn2c3ccccc3oc2=O)CC1 ZINC000048279431 570942875 /nfs/dbraw/zinc/94/28/75/570942875.db2.gz SKEFUZHHLXEEFH-UHFFFAOYSA-N 1 1 361.442 1.807 50 0 FDAAMO C[C@H](CNC(=O)C(=O)Nc1cn(C)nc1-c1ccncc1)[N@@H+](C)C1CC1 ZINC000084638283 571094093 /nfs/dbraw/zinc/09/40/93/571094093.db2.gz ALPGMKSHZFCQIM-GFCCVEGCSA-N 1 1 356.430 1.020 50 0 FDAAMO CC[C@H](C)NC(=O)CN1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000084722034 571098406 /nfs/dbraw/zinc/09/84/06/571098406.db2.gz PPLUSFCXAAEULH-SFHVURJKSA-N 1 1 358.530 1.972 50 0 FDAAMO CN(Cc1ccco1)C(=O)[C@]12C[N@@H+](Cc3ccnn3C)C[C@H]1COCC2 ZINC000685940421 571099525 /nfs/dbraw/zinc/09/95/25/571099525.db2.gz KOTKOZSECWYXCQ-HNAYVOBHSA-N 1 1 358.442 1.510 50 0 FDAAMO C[NH+](C)[C@H](C(=O)NCc1cn2c(n1)SCC2)c1ccc2c(c1)OCO2 ZINC000426641300 571105219 /nfs/dbraw/zinc/10/52/19/571105219.db2.gz ALCGYMPRCAAYNX-HNNXBMFYSA-N 1 1 360.439 1.637 50 0 FDAAMO Cc1nnc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)[nH]1 ZINC000243885847 571112056 /nfs/dbraw/zinc/11/20/56/571112056.db2.gz ACUXSYFHMOHRSX-AWEZNQCLSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1n[nH]c([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n1 ZINC000243885847 571112058 /nfs/dbraw/zinc/11/20/58/571112058.db2.gz ACUXSYFHMOHRSX-AWEZNQCLSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n1 ZINC000243885847 571112059 /nfs/dbraw/zinc/11/20/59/571112059.db2.gz ACUXSYFHMOHRSX-AWEZNQCLSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1nc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n[nH]1 ZINC000243885847 571112061 /nfs/dbraw/zinc/11/20/61/571112061.db2.gz ACUXSYFHMOHRSX-AWEZNQCLSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n[nH]1 ZINC000243885847 571112063 /nfs/dbraw/zinc/11/20/63/571112063.db2.gz ACUXSYFHMOHRSX-AWEZNQCLSA-N 1 1 356.430 1.420 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)cc1C ZINC000243892790 571112297 /nfs/dbraw/zinc/11/22/97/571112297.db2.gz ALGFMFHCMWBAII-QZTJIDSGSA-N 1 1 355.438 1.764 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)cc1C ZINC000243892790 571112298 /nfs/dbraw/zinc/11/22/98/571112298.db2.gz ALGFMFHCMWBAII-QZTJIDSGSA-N 1 1 355.438 1.764 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(O)c1 ZINC000243893326 571112379 /nfs/dbraw/zinc/11/23/79/571112379.db2.gz APUQYQLFGJLSTN-DHHCDUQHSA-N 1 1 363.461 1.690 50 0 FDAAMO Cc1cn2c(C(=O)N3CC[N@H+](CC(C)C)[C@@H](CCO)C3)csc2n1 ZINC000244898914 571119872 /nfs/dbraw/zinc/11/98/72/571119872.db2.gz ZDXAIFZZGUFQPT-AWEZNQCLSA-N 1 1 350.488 1.869 50 0 FDAAMO Cc1cccc(-n2cc(C[N@@H+](C)CCCS(=O)(=O)N(C)C)cn2)c1 ZINC000252481562 571131421 /nfs/dbraw/zinc/13/14/21/571131421.db2.gz COEFJYXRNQJVCT-UHFFFAOYSA-N 1 1 350.488 1.894 50 0 FDAAMO Cc1cccc(-n2cc(C[N@H+](C)CCCS(=O)(=O)N(C)C)cn2)c1 ZINC000252481562 571131424 /nfs/dbraw/zinc/13/14/24/571131424.db2.gz COEFJYXRNQJVCT-UHFFFAOYSA-N 1 1 350.488 1.894 50 0 FDAAMO Cc1nc2c(c(=O)n1CC(=O)NC(C)C)CC[N@H+](Cc1ccccc1)C2 ZINC000035456179 571148102 /nfs/dbraw/zinc/14/81/02/571148102.db2.gz NRUVVXFYTXHELO-UHFFFAOYSA-N 1 1 354.454 1.635 50 0 FDAAMO Cc1nc2c(c(=O)n1CC(=O)NC(C)C)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456179 571148105 /nfs/dbraw/zinc/14/81/05/571148105.db2.gz NRUVVXFYTXHELO-UHFFFAOYSA-N 1 1 354.454 1.635 50 0 FDAAMO Cc1c[nH]c(C(=O)N2CCC[C@@H](Cn3cc(C[NH+]4CCCC4)nn3)C2)n1 ZINC000023159219 571166475 /nfs/dbraw/zinc/16/64/75/571166475.db2.gz FQRSTJRIRILXKV-OAHLLOKOSA-N 1 1 357.462 1.458 50 0 FDAAMO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000090419681 571177029 /nfs/dbraw/zinc/17/70/29/571177029.db2.gz FGTGHXDTFLLVOM-CXAGYDPISA-N 1 1 361.417 1.774 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)CCCc2nc(-c3ccncc3)no2)C1 ZINC000299762887 571194024 /nfs/dbraw/zinc/19/40/24/571194024.db2.gz DECNCVJSTFMRQY-AWEZNQCLSA-N 1 1 359.430 1.149 50 0 FDAAMO CNC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)ccc1OC ZINC000299768108 571195094 /nfs/dbraw/zinc/19/50/94/571195094.db2.gz HQPVNRUIEGUGOC-ZDUSSCGKSA-N 1 1 364.446 1.145 50 0 FDAAMO O=C1CCCN1c1ccc(C[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299796396 571202142 /nfs/dbraw/zinc/20/21/42/571202142.db2.gz NTTHWIUACFMTHV-ZWKOTPCHSA-N 1 1 353.426 1.751 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)COc2cccc(C)c2)[C@H](O)C1 ZINC000426398949 571219698 /nfs/dbraw/zinc/21/96/98/571219698.db2.gz ASDJKDCBVLWFOD-RTBURBONSA-N 1 1 373.453 1.730 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)COc2cccc(C)c2)[C@H](O)C1 ZINC000426398949 571219701 /nfs/dbraw/zinc/21/97/01/571219701.db2.gz ASDJKDCBVLWFOD-RTBURBONSA-N 1 1 373.453 1.730 50 0 FDAAMO COc1ccnc(-c2ccc(C(=O)NC[C@H]3COCC[N@@H+](C)C3)cc2)n1 ZINC000426624760 571233754 /nfs/dbraw/zinc/23/37/54/571233754.db2.gz LUSRCHWZXOQLDP-CQSZACIVSA-N 1 1 356.426 1.460 50 0 FDAAMO Cc1cccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)c1C ZINC000426632897 571233965 /nfs/dbraw/zinc/23/39/65/571233965.db2.gz PPZAMNHRYQKOPZ-RTBURBONSA-N 1 1 369.465 1.829 50 0 FDAAMO Cc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)c1C ZINC000426632897 571233966 /nfs/dbraw/zinc/23/39/66/571233966.db2.gz PPZAMNHRYQKOPZ-RTBURBONSA-N 1 1 369.465 1.829 50 0 FDAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1nnc2ccccc2c1=O ZINC000253413324 571312384 /nfs/dbraw/zinc/31/23/84/571312384.db2.gz UMLOMAGLNSBFOP-MAUKXSAKSA-N 1 1 369.469 1.514 50 0 FDAAMO Cc1ccc(CN2CCNC(=O)[C@H]2Cc2ncnn2-c2cc[nH+]cc2)o1 ZINC000670464481 571358067 /nfs/dbraw/zinc/35/80/67/571358067.db2.gz WYSIOSFDWCWIGD-MRXNPFEDSA-N 1 1 352.398 1.107 50 0 FDAAMO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000011879647 670608839 /nfs/dbraw/zinc/60/88/39/670608839.db2.gz SBTDUEHUZRLLJQ-CYBMUJFWSA-N 1 1 369.560 1.613 50 0 FDAAMO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000011879647 670608840 /nfs/dbraw/zinc/60/88/40/670608840.db2.gz SBTDUEHUZRLLJQ-CYBMUJFWSA-N 1 1 369.560 1.613 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000046861142 671016909 /nfs/dbraw/zinc/01/69/09/671016909.db2.gz FYOZWPNAKACCJG-CYBMUJFWSA-N 1 1 350.488 1.803 50 0 FDAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)s2)CC[C@@H]1c1nnc(C)[nH]1 ZINC000169782913 672041165 /nfs/dbraw/zinc/04/11/65/672041165.db2.gz DFGZYMQCAGRIQF-LSDHHAIUSA-N 1 1 363.487 1.604 50 0 FDAAMO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)Cn3cncn3)CC2)[C@H]1O ZINC000020542049 792500829 /nfs/dbraw/zinc/50/08/29/792500829.db2.gz KNVZTWJCXCJUHR-MOPGFXCFSA-N 1 1 369.469 1.206 50 0 FDAAMO CNc1cc(N2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)nc(N)n1 ZINC000257372092 794885953 /nfs/dbraw/zinc/88/59/53/794885953.db2.gz MSMQZJQIDJADPQ-HNNXBMFYSA-N 1 1 360.437 1.313 50 0 FDAAMO CNc1cc(N2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)nc(N)n1 ZINC000257372092 794885961 /nfs/dbraw/zinc/88/59/61/794885961.db2.gz MSMQZJQIDJADPQ-HNNXBMFYSA-N 1 1 360.437 1.313 50 0 FDAAMO Cc1cc(C[NH+]2CCC3(C[C@@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)n(C)n1 ZINC000675011239 795205758 /nfs/dbraw/zinc/20/57/58/795205758.db2.gz RDRLCTLGWPYQKD-SFHVURJKSA-N 1 1 359.518 1.637 50 0 FDAAMO O=C([C@@H]1OCC[N@@H+](C2CCCC2)[C@H]1c1ccccc1)N1CCNC(=O)C1 ZINC000675010820 795210996 /nfs/dbraw/zinc/21/09/96/795210996.db2.gz LTOOECAFJZAIBN-RBUKOAKNSA-N 1 1 357.454 1.330 50 0 FDAAMO COc1cccc(C[N@@H+](C)[C@@H]2CCc3nn(CC4CC4)c(=O)n3CC2)n1 ZINC000169783428 864526769 /nfs/dbraw/zinc/52/67/69/864526769.db2.gz RDDZJUGLONZZCH-MRXNPFEDSA-N 1 1 357.458 1.695 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)NCCc1ccccc1 ZINC000169790932 864528203 /nfs/dbraw/zinc/52/82/03/864528203.db2.gz HEXQUOHAGYWEQQ-UYAOXDASSA-N 1 1 374.529 1.569 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)NCCc1ccccc1 ZINC000169790932 864528214 /nfs/dbraw/zinc/52/82/14/864528214.db2.gz HEXQUOHAGYWEQQ-UYAOXDASSA-N 1 1 374.529 1.569 50 0 FDAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(Cc2cccc3c2OCO3)C[C@H]1O ZINC000012432315 881955759 /nfs/dbraw/zinc/95/57/59/881955759.db2.gz LMSOIIMBBWIOTH-RTBURBONSA-N 1 1 369.465 1.920 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@H+](C)Cc3ncccc3C)C2)cc1 ZINC000012448525 882050083 /nfs/dbraw/zinc/05/00/83/882050083.db2.gz AYHKNBXEDHSNQK-OALUTQOASA-N 1 1 355.438 1.716 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@@H+](C)Cc3ncccc3C)C2)cc1 ZINC000012448525 882050098 /nfs/dbraw/zinc/05/00/98/882050098.db2.gz AYHKNBXEDHSNQK-OALUTQOASA-N 1 1 355.438 1.716 50 0 FDAAMO CCC(=O)N1CCC2(CC1)C[N@H+](CCn1c3ccccc3oc1=O)CCO2 ZINC000822529360 920626162 /nfs/dbraw/zinc/62/61/62/920626162.db2.gz FJGIVSAPQIAXBJ-UHFFFAOYSA-N 1 1 373.453 1.698 50 0 FDAAMO CCC(=O)N1CCC2(CC1)C[N@@H+](CCn1c3ccccc3oc1=O)CCO2 ZINC000822529360 920626174 /nfs/dbraw/zinc/62/61/74/920626174.db2.gz FJGIVSAPQIAXBJ-UHFFFAOYSA-N 1 1 373.453 1.698 50 0 FDAAMO COc1c[nH]c(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)cc1=O ZINC000824528324 923028559 /nfs/dbraw/zinc/02/85/59/923028559.db2.gz XQBLTOXDAFXMAS-HNNXBMFYSA-N 1 1 355.438 1.911 50 0 FDAAMO O=C(C1CCOCC1)N1CC(c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)C1 ZINC000581800924 927585232 /nfs/dbraw/zinc/58/52/32/927585232.db2.gz BTKJOZOTHSSLCX-INIZCTEOSA-N 1 1 360.458 1.969 50 0 FDAAMO COCc1nnc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2ccnn2C)CC3)o1 ZINC000581802476 927587037 /nfs/dbraw/zinc/58/70/37/927587037.db2.gz ISPMUEKOGJODOS-AWEZNQCLSA-N 1 1 374.445 1.249 50 0 FDAAMO COCc1nnc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2ccnn2C)CC3)o1 ZINC000581802476 927587044 /nfs/dbraw/zinc/58/70/44/927587044.db2.gz ISPMUEKOGJODOS-AWEZNQCLSA-N 1 1 374.445 1.249 50 0 FDAAMO COCCn1c(C)c[nH+]c1C[C@H]1CCCN(C(=O)c2cc(C)n(C)n2)C1 ZINC000581816313 927611223 /nfs/dbraw/zinc/61/12/23/927611223.db2.gz SIQXERHHBUCLJY-MRXNPFEDSA-N 1 1 359.474 1.975 50 0 FDAAMO O=c1ccc(-c2ccncc2)nn1CC1CN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000585605528 952905691 /nfs/dbraw/zinc/90/56/91/952905691.db2.gz ISKMBKLLXACFMS-UHFFFAOYSA-N 1 1 359.393 1.713 50 0 FDAAMO Cc1cnn(-c2cc(C[C@@H]3CC[C@H](C[N@@H+](C)CCN(C)C)O3)ncn2)c1 ZINC000952854565 960171658 /nfs/dbraw/zinc/17/16/58/960171658.db2.gz VVOXQTUWDKVXAD-ZWKOTPCHSA-N 1 1 358.490 1.554 50 0 FDAAMO Cc1cnn(-c2cc(C[C@@H]3CC[C@H](C[N@H+](C)CCN(C)C)O3)ncn2)c1 ZINC000952854565 960171663 /nfs/dbraw/zinc/17/16/63/960171663.db2.gz VVOXQTUWDKVXAD-ZWKOTPCHSA-N 1 1 358.490 1.554 50 0 FDAAMO Cc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC000952868102 960204848 /nfs/dbraw/zinc/20/48/48/960204848.db2.gz BLMJATMZDKZUAE-DLBZAZTESA-N 1 1 358.486 1.135 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000952967697 960282621 /nfs/dbraw/zinc/28/26/21/960282621.db2.gz LQRJJZKFCXALFM-OAHLLOKOSA-N 1 1 371.485 1.583 50 0 FDAAMO CCn1nc(CO)c2c1CCN(C(=O)[C@@H]1Cc3ccccc3C[N@@H+]1CC)C2 ZINC000952968508 960283847 /nfs/dbraw/zinc/28/38/47/960283847.db2.gz NETJPNVQDOZHPG-FQEVSTJZSA-N 1 1 368.481 1.727 50 0 FDAAMO CCn1nc(CO)c2c1CCN(C(=O)[C@@H]1Cc3ccccc3C[N@H+]1CC)C2 ZINC000952968508 960283856 /nfs/dbraw/zinc/28/38/56/960283856.db2.gz NETJPNVQDOZHPG-FQEVSTJZSA-N 1 1 368.481 1.727 50 0 FDAAMO CCc1c(C)nn(CC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1C ZINC000952984895 960303581 /nfs/dbraw/zinc/30/35/81/960303581.db2.gz UERVHWUMCWKMLY-QGZVFWFLSA-N 1 1 350.507 1.614 50 0 FDAAMO COCCN1CCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194449509 178212042 /nfs/dbraw/zinc/21/20/42/178212042.db2.gz AHWXEQKOABPPAU-LJQANCHMSA-N 1 1 360.502 1.482 50 0 FDAAMO Cn1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)c2c1CCCC2 ZINC000244893106 209912297 /nfs/dbraw/zinc/91/22/97/209912297.db2.gz YVVKFIYDEKFABL-SJLPKXTDSA-N 1 1 369.469 1.059 50 0 FDAAMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)c2c1CCCC2 ZINC000244893106 209912301 /nfs/dbraw/zinc/91/23/01/209912301.db2.gz YVVKFIYDEKFABL-SJLPKXTDSA-N 1 1 369.469 1.059 50 0 FDAAMO CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2cc(NC)nc(N)[nH+]2)cc1 ZINC000534652347 540394622 /nfs/dbraw/zinc/39/46/22/540394622.db2.gz RBMCLUUXEIZJSD-NSHDSACASA-N 1 1 366.429 1.292 50 0 FDAAMO CSCC[NH+]1CCN(C(=O)c2ccc(-c3nccc(N)n3)cc2)CC1 ZINC000534674604 540398753 /nfs/dbraw/zinc/39/87/53/540398753.db2.gz QPSCHGJVNYMSLW-UHFFFAOYSA-N 1 1 357.483 1.677 50 0 FDAAMO COc1cc(F)c(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(F)c1 ZINC000107666599 209278358 /nfs/dbraw/zinc/27/83/58/209278358.db2.gz MFQKDZPMKXSXNT-GOSISDBHSA-N 1 1 353.413 1.760 50 0 FDAAMO Cn1c2ccccc2cc(C(=O)NCCC[N@H+]2CCCC[C@H]2CO)c1=O ZINC000097823377 209199190 /nfs/dbraw/zinc/19/91/90/209199190.db2.gz HEUIMLYMUQIKEY-INIZCTEOSA-N 1 1 357.454 1.505 50 0 FDAAMO COc1cc2c(cc1C[N@@H+]1CCCO[C@@H](CN3CCOCC3)C1)OCO2 ZINC000097784783 209196295 /nfs/dbraw/zinc/19/62/95/209196295.db2.gz SZPMKBDKDBLCKK-INIZCTEOSA-N 1 1 364.442 1.347 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1CCCO[C@@H](CN3CCOCC3)C1)OCO2 ZINC000097784783 209196299 /nfs/dbraw/zinc/19/62/99/209196299.db2.gz SZPMKBDKDBLCKK-INIZCTEOSA-N 1 1 364.442 1.347 50 0 FDAAMO CCNC(=O)c1cccc(NC(=O)NCC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000097698691 209193142 /nfs/dbraw/zinc/19/31/42/209193142.db2.gz ICOMMAPBSCJUER-HNNXBMFYSA-N 1 1 361.490 1.584 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1cnc(Nc2ccccc2)nc1 ZINC000097527240 209184384 /nfs/dbraw/zinc/18/43/84/209184384.db2.gz YTUUFCWYNITIJR-HNNXBMFYSA-N 1 1 355.442 1.654 50 0 FDAAMO COc1cccc2ccc(CN3CC[NH+](CCn4cncn4)CC3)nc21 ZINC000097515178 209184363 /nfs/dbraw/zinc/18/43/63/209184363.db2.gz CGQWUGZZEXCVFU-UHFFFAOYSA-N 1 1 352.442 1.653 50 0 FDAAMO O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1ccc2c(c1)ncn2CCO ZINC000097301450 209176994 /nfs/dbraw/zinc/17/69/94/209176994.db2.gz MDRUYVGXVBGMTF-UHFFFAOYSA-N 1 1 372.469 1.403 50 0 FDAAMO COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[N@@H+](C)CC3)c(C)c12 ZINC000097218362 209176101 /nfs/dbraw/zinc/17/61/01/209176101.db2.gz RNDUGINXLCHPBW-UHFFFAOYSA-N 1 1 359.474 1.690 50 0 FDAAMO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096927288 209162584 /nfs/dbraw/zinc/16/25/84/209162584.db2.gz RZWGJNGJTTVKTJ-BSDKJSHOSA-N 1 1 367.501 1.912 50 0 FDAAMO CCC[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)C[C@H]1C(=O)N(CC)CC ZINC000096160998 209127639 /nfs/dbraw/zinc/12/76/39/209127639.db2.gz MAPBOWNFWGJSBV-CABCVRRESA-N 1 1 350.463 1.743 50 0 FDAAMO CCC[N@H+]1C[C@H](NC(=O)c2oc(C)nc2C)C[C@H]1C(=O)N(CC)CC ZINC000096160998 209127642 /nfs/dbraw/zinc/12/76/42/209127642.db2.gz MAPBOWNFWGJSBV-CABCVRRESA-N 1 1 350.463 1.743 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(N(C)C)cc2)C[N@@H+]1C ZINC000096163428 209129113 /nfs/dbraw/zinc/12/91/13/209129113.db2.gz IPBPRWPOILJTOQ-WMZOPIPTSA-N 1 1 360.502 1.352 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(N(C)C)cc2)C[N@H+]1C ZINC000096163428 209129116 /nfs/dbraw/zinc/12/91/16/209129116.db2.gz IPBPRWPOILJTOQ-WMZOPIPTSA-N 1 1 360.502 1.352 50 0 FDAAMO Cc1ccc(-n2nc(CC(N)=O)nc2[C@@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000096154076 209125795 /nfs/dbraw/zinc/12/57/95/209125795.db2.gz FUEOCSQUNOSKMC-OAHLLOKOSA-N 1 1 356.474 1.220 50 0 FDAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)NCC3CCOCC3)c2)CC1 ZINC000096153100 209125084 /nfs/dbraw/zinc/12/50/84/209125084.db2.gz MTTDTGYHGAQKBC-UHFFFAOYSA-N 1 1 360.458 1.622 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C[N@@H+]1CC1CC1 ZINC000096137445 209118497 /nfs/dbraw/zinc/11/84/97/209118497.db2.gz YDBJTXKVKQDLQG-ZBFHGGJFSA-N 1 1 356.426 1.465 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nc(C)oc3c2)C[N@H+]1CC1CC1 ZINC000096137445 209118502 /nfs/dbraw/zinc/11/85/02/209118502.db2.gz YDBJTXKVKQDLQG-ZBFHGGJFSA-N 1 1 356.426 1.465 50 0 FDAAMO CCCCn1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004810113 207050261 /nfs/dbraw/zinc/05/02/61/207050261.db2.gz GBSIJVCCMKWTAN-ZIAGYGMSSA-N 1 1 361.490 1.712 50 0 FDAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000006881940 207175354 /nfs/dbraw/zinc/17/53/54/207175354.db2.gz NAUKOOTZHHLVHT-ZDUSSCGKSA-N 1 1 353.488 1.916 50 0 FDAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000006881940 207175357 /nfs/dbraw/zinc/17/53/57/207175357.db2.gz NAUKOOTZHHLVHT-ZDUSSCGKSA-N 1 1 353.488 1.916 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCNc1nc(Cl)nc2nc[nH]c21 ZINC000009420977 207271047 /nfs/dbraw/zinc/27/10/47/207271047.db2.gz QSAQCIMMGQNKCB-SNVBAGLBSA-N 1 1 351.842 1.409 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCC(N)=O)C1 ZINC000011663119 207317075 /nfs/dbraw/zinc/31/70/75/207317075.db2.gz WSMGMNOPXHFQMH-MRXNPFEDSA-N 1 1 361.486 1.674 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)C[C@H]3C(=O)NCCN3C(C)C)CC2)c1 ZINC000011997200 207332230 /nfs/dbraw/zinc/33/22/30/207332230.db2.gz UBZXVQXJEIOSAY-IBGZPJMESA-N 1 1 372.513 1.238 50 0 FDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1-c1ccsc1CC2 ZINC000035504901 208129388 /nfs/dbraw/zinc/12/93/88/208129388.db2.gz TZNVOXUFSSDIKZ-UHFFFAOYSA-N 1 1 360.483 1.699 50 0 FDAAMO O=C(CCc1nnc(-c2ccsc2)o1)NCCC[NH+]1CCOCC1 ZINC000037151200 208175187 /nfs/dbraw/zinc/17/51/87/208175187.db2.gz ZNIULGRTENLBTN-UHFFFAOYSA-N 1 1 350.444 1.569 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1 ZINC000036353113 208157320 /nfs/dbraw/zinc/15/73/20/208157320.db2.gz FVUYLOWDUWHADY-HNNXBMFYSA-N 1 1 371.441 1.143 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccccc2Cl)cc(N(C)C)[nH+]1 ZINC000038488306 208203700 /nfs/dbraw/zinc/20/37/00/208203700.db2.gz XNGSMWPKXOFDFR-UHFFFAOYSA-N 1 1 369.878 1.895 50 0 FDAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)Nc2cnn(CC(N)=O)c2)c1 ZINC000040151711 208235801 /nfs/dbraw/zinc/23/58/01/208235801.db2.gz AZWWWBIMXNYFLG-UHFFFAOYSA-N 1 1 367.413 1.243 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(F)ccc1-n1cnnn1 ZINC000079194248 208236699 /nfs/dbraw/zinc/23/66/99/208236699.db2.gz PDZAAGXHZJJVTR-XJKSGUPXSA-N 1 1 358.421 1.796 50 0 biogenic FDAAMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H]1c1ccsc1)c(=O)n2C ZINC000040154244 208238123 /nfs/dbraw/zinc/23/81/23/208238123.db2.gz AOHJRKVZXKPEGH-AWEZNQCLSA-N 1 1 373.482 1.722 50 0 FDAAMO C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040152785 208238287 /nfs/dbraw/zinc/23/82/87/208238287.db2.gz JOWOKFWMMILKRA-OAHLLOKOSA-N 1 1 371.437 1.547 50 0 FDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1 ZINC000046141029 208361253 /nfs/dbraw/zinc/36/12/53/208361253.db2.gz LDUNEUVTSWVDDP-UHFFFAOYSA-N 1 1 367.515 1.472 50 0 FDAAMO COc1cccc(COCC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046745310 208366741 /nfs/dbraw/zinc/36/67/41/208366741.db2.gz FPRIYJDLOXJUIT-HRCADAONSA-N 1 1 350.459 1.826 50 0 FDAAMO COc1cccc(COCC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000046745310 208366747 /nfs/dbraw/zinc/36/67/47/208366747.db2.gz FPRIYJDLOXJUIT-HRCADAONSA-N 1 1 350.459 1.826 50 0 FDAAMO O=C(Cc1ccccc1Cl)NC[C@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000047635395 208383722 /nfs/dbraw/zinc/38/37/22/208383722.db2.gz QCOPNVDAJBFEDJ-NVXWUHKLSA-N 1 1 352.862 1.736 50 0 FDAAMO CCOCCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071764825 208778736 /nfs/dbraw/zinc/77/87/36/208778736.db2.gz INKUQIVJZMXUBL-GOSISDBHSA-N 1 1 374.529 1.911 50 0 FDAAMO O=C(NC1CC1)[C@H]1C[NH2+]CCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000072133734 208804911 /nfs/dbraw/zinc/80/49/11/208804911.db2.gz LHADDLUQPNVVHK-OAHLLOKOSA-N 1 1 355.394 1.765 50 0 FDAAMO COCCN1CC2(CCC1=O)CCN(C(=O)Cn1c[nH+]c(C)c1C)CC2 ZINC000091859106 209001274 /nfs/dbraw/zinc/00/12/74/209001274.db2.gz VTBVCIBFNRBFKJ-UHFFFAOYSA-N 1 1 362.474 1.378 50 0 FDAAMO CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C2)cc1 ZINC000091892858 209002483 /nfs/dbraw/zinc/00/24/83/209002483.db2.gz SPEOCICFTMJSSS-WOJBJXKFSA-N 1 1 361.530 1.984 50 0 FDAAMO CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1 ZINC000091892858 209002486 /nfs/dbraw/zinc/00/24/86/209002486.db2.gz SPEOCICFTMJSSS-WOJBJXKFSA-N 1 1 361.530 1.984 50 0 FDAAMO Cc1noc2ncnc(N3C[C@H](CO)[C@H](C[N@H+]4C[C@@H](C)O[C@@H](C)C4)C3)c12 ZINC000091907219 209003471 /nfs/dbraw/zinc/00/34/71/209003471.db2.gz IVOBVOIFVUYEDC-AYRXBEOTSA-N 1 1 361.446 1.080 50 0 FDAAMO COCC[N@H+]1C[C@H](NS(=O)(=O)c2cccc(OC)c2)[C@@H](C2CC2)C1 ZINC000091914990 209003583 /nfs/dbraw/zinc/00/35/83/209003583.db2.gz IWHJLSUGHDWAFA-SJORKVTESA-N 1 1 354.472 1.330 50 0 FDAAMO CN(CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2)Cc1ccncc1 ZINC000091943606 209005028 /nfs/dbraw/zinc/00/50/28/209005028.db2.gz BKGHHCLMUYCDNL-AZUAARDMSA-N 1 1 372.513 1.615 50 0 FDAAMO O=C(CCc1cc2n(n1)CCC[N@H+](Cc1ccncc1)C2)N1CCOCC1 ZINC000091931894 209006025 /nfs/dbraw/zinc/00/60/25/209006025.db2.gz CRPKSNQCCGUCPX-UHFFFAOYSA-N 1 1 369.469 1.475 50 0 FDAAMO O=C(CCc1cc2n(n1)CCC[N@@H+](Cc1ccncc1)C2)N1CCOCC1 ZINC000091931894 209006030 /nfs/dbraw/zinc/00/60/30/209006030.db2.gz CRPKSNQCCGUCPX-UHFFFAOYSA-N 1 1 369.469 1.475 50 0 FDAAMO O=C(c1scnc1Br)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000095993026 209094000 /nfs/dbraw/zinc/09/40/00/209094000.db2.gz KUUKAZDTTJKNEL-SNVBAGLBSA-N 1 1 360.277 1.700 50 0 FDAAMO Cc1nc2sccn2c1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091987944 209009375 /nfs/dbraw/zinc/00/93/75/209009375.db2.gz XLSSJBMYOQDRIV-SFHVURJKSA-N 1 1 361.515 1.833 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)COC(C)C)CC1 ZINC000091974359 209009896 /nfs/dbraw/zinc/00/98/96/209009896.db2.gz LMEZVFIMCRGHPK-UHFFFAOYSA-N 1 1 374.489 1.982 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091998172 209011681 /nfs/dbraw/zinc/01/16/81/209011681.db2.gz IYOKJCNVGVHDCJ-UHFFFAOYSA-N 1 1 369.517 1.337 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1 ZINC000092066441 209016119 /nfs/dbraw/zinc/01/61/19/209016119.db2.gz YYZNKVZDJSJTKX-CYBMUJFWSA-N 1 1 353.426 1.943 50 0 FDAAMO CC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000092081468 209016463 /nfs/dbraw/zinc/01/64/63/209016463.db2.gz XAHPYYLEGKBQSP-CQSZACIVSA-N 1 1 365.499 1.541 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092096721 209016766 /nfs/dbraw/zinc/01/67/66/209016766.db2.gz IGPZBASBQWBBBE-LJQANCHMSA-N 1 1 351.491 1.206 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092096721 209016769 /nfs/dbraw/zinc/01/67/69/209016769.db2.gz IGPZBASBQWBBBE-LJQANCHMSA-N 1 1 351.491 1.206 50 0 FDAAMO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000095358233 209026901 /nfs/dbraw/zinc/02/69/01/209026901.db2.gz TVFQQCNUBMNDEK-OAHLLOKOSA-N 1 1 367.457 1.736 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)c2n1 ZINC000092046285 209014443 /nfs/dbraw/zinc/01/44/43/209014443.db2.gz OMLGWQJFEIUTFA-INIZCTEOSA-N 1 1 370.453 1.236 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095368512 209032924 /nfs/dbraw/zinc/03/29/24/209032924.db2.gz KBULQBJIRBZCHZ-PKOBYXMFSA-N 1 1 373.497 1.649 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000095378435 209037962 /nfs/dbraw/zinc/03/79/62/209037962.db2.gz QAQWWWCGPFUWJI-QGZVFWFLSA-N 1 1 359.518 1.719 50 0 FDAAMO Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)c(=O)[nH]1 ZINC000095378172 209038073 /nfs/dbraw/zinc/03/80/73/209038073.db2.gz KLDBAVYLIGPYIZ-DOTOQJQBSA-N 1 1 374.485 1.031 50 0 FDAAMO CCc1c(C)nc(C)nc1N1C[C@H](CO)[C@H](CN2CC[NH+](CC)CC2)C1 ZINC000095380515 209041178 /nfs/dbraw/zinc/04/11/78/209041178.db2.gz UGLKNENCINLBDF-QZTJIDSGSA-N 1 1 361.534 1.338 50 0 FDAAMO Cc1nnsc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095387461 209043446 /nfs/dbraw/zinc/04/34/46/209043446.db2.gz GVGBWNDFIFOAAR-ZDUSSCGKSA-N 1 1 358.475 1.599 50 0 FDAAMO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(=O)[nH]c1C ZINC000095441923 209051644 /nfs/dbraw/zinc/05/16/44/209051644.db2.gz CJUWJNRJUNDBLX-UHFFFAOYSA-N 1 1 358.417 1.874 50 0 FDAAMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(=O)[nH]c1C ZINC000095441923 209051648 /nfs/dbraw/zinc/05/16/48/209051648.db2.gz CJUWJNRJUNDBLX-UHFFFAOYSA-N 1 1 358.417 1.874 50 0 FDAAMO O=C([O-])C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095503008 209062617 /nfs/dbraw/zinc/06/26/17/209062617.db2.gz RIQGXEGFSDAKMH-IBGZPJMESA-N 1 1 373.497 1.954 50 0 FDAAMO O=C([O-])C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095503009 209062843 /nfs/dbraw/zinc/06/28/43/209062843.db2.gz RIQGXEGFSDAKMH-LJQANCHMSA-N 1 1 373.497 1.954 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]c(=O)cc1O)CC2 ZINC000095503731 209063658 /nfs/dbraw/zinc/06/36/58/209063658.db2.gz KUBYZWVRGPTCHF-UHFFFAOYSA-N 1 1 371.441 1.203 50 0 FDAAMO CCOc1ncccc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095505940 209065403 /nfs/dbraw/zinc/06/54/03/209065403.db2.gz FWCUNLKAFGHZGA-KRWDZBQOSA-N 1 1 355.438 1.799 50 0 FDAAMO CCOc1ncccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095505940 209065405 /nfs/dbraw/zinc/06/54/05/209065405.db2.gz FWCUNLKAFGHZGA-KRWDZBQOSA-N 1 1 355.438 1.799 50 0 FDAAMO CC(=O)N1CC[N@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H](O)C1 ZINC000091574245 132202385 /nfs/dbraw/zinc/20/23/85/132202385.db2.gz YLEJKVSQQKOYPS-OAQYLSRUSA-N 1 1 357.498 1.669 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cnccn2)CC1 ZINC000095362829 132207791 /nfs/dbraw/zinc/20/77/91/132207791.db2.gz UTEANTYOFKPANY-MRXNPFEDSA-N 1 1 355.442 1.630 50 0 FDAAMO CNc1cc(C)nc(N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)n1 ZINC000095367140 132208427 /nfs/dbraw/zinc/20/84/27/132208427.db2.gz YQQGLEZKDDXSHV-UHFFFAOYSA-N 1 1 374.533 1.987 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3ccc(C)nn3)C2)n1C ZINC000095388429 132210163 /nfs/dbraw/zinc/21/01/63/132210163.db2.gz QLELLPASBBNJCH-OAHLLOKOSA-N 1 1 352.446 1.851 50 0 FDAAMO C[C@]1(O)CC[N@H+](C2CCN(c3ncc4ccc(F)cc4n3)CC2)C[C@@H]1O ZINC000096137768 132220134 /nfs/dbraw/zinc/22/01/34/132220134.db2.gz MZDQAHSDABDJRB-HKUYNNGSSA-N 1 1 360.433 1.555 50 0 FDAAMO Cc1nc2c(c(N3CC[N@H+](C)[C@@H](CCO)C3)n1)Cc1ccccc1OC2 ZINC000108401464 132243087 /nfs/dbraw/zinc/24/30/87/132243087.db2.gz WUOHNXNPFOEIAD-INIZCTEOSA-N 1 1 354.454 1.771 50 0 FDAAMO OC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC000221413125 132276691 /nfs/dbraw/zinc/27/66/91/132276691.db2.gz GRIDCKIYDACDGV-SFHVURJKSA-N 1 1 372.473 1.095 50 0 FDAAMO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC000221413125 132276693 /nfs/dbraw/zinc/27/66/93/132276693.db2.gz GRIDCKIYDACDGV-SFHVURJKSA-N 1 1 372.473 1.095 50 0 FDAAMO CCNC(=O)N1CCO[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034667085 136117747 /nfs/dbraw/zinc/11/77/47/136117747.db2.gz PUEGSZHKPBUIJB-QGZVFWFLSA-N 1 1 350.438 1.378 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(c3ncc(C)c(N)n3)C[C@H]2CCO)c1 ZINC000072431812 136147008 /nfs/dbraw/zinc/14/70/08/136147008.db2.gz RKCVRDOZCXWUSR-MRXNPFEDSA-N 1 1 357.458 1.449 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3ncc(C)c(N)n3)C[C@H]2CCO)c1 ZINC000072431812 136147009 /nfs/dbraw/zinc/14/70/09/136147009.db2.gz RKCVRDOZCXWUSR-MRXNPFEDSA-N 1 1 357.458 1.449 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(c3ncc(C)c(N)n3)C[C@@H]2CCO)cc1 ZINC000072458884 136148698 /nfs/dbraw/zinc/14/86/98/136148698.db2.gz WMWRJFQXVSNINL-KRWDZBQOSA-N 1 1 371.485 1.839 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(c3ncc(C)c(N)n3)C[C@@H]2CCO)cc1 ZINC000072458884 136148699 /nfs/dbraw/zinc/14/86/99/136148699.db2.gz WMWRJFQXVSNINL-KRWDZBQOSA-N 1 1 371.485 1.839 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1cc(N2CCOCC2)ncn1 ZINC000072463470 136148813 /nfs/dbraw/zinc/14/88/13/136148813.db2.gz RGIYKLLWMMLJEP-AWEZNQCLSA-N 1 1 358.446 1.511 50 0 FDAAMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000175885967 174034258 /nfs/dbraw/zinc/03/42/58/174034258.db2.gz LSXJUCBFPBURRL-SJORKVTESA-N 1 1 369.473 1.825 50 0 FDAAMO C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332048011 259237115 /nfs/dbraw/zinc/23/71/15/259237115.db2.gz LEOJOKCWBGXYBX-HOTGVXAUSA-N 1 1 361.490 1.787 50 0 FDAAMO CC(C)[C@H]1N(C(=O)C[NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1 ZINC000001457767 518233034 /nfs/dbraw/zinc/23/30/34/518233034.db2.gz GOJCZSMCXCBHHK-SFHVURJKSA-N 1 1 365.499 1.597 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000011210305 518554521 /nfs/dbraw/zinc/55/45/21/518554521.db2.gz SZVOXCKSKYNMCI-SFHVURJKSA-N 1 1 353.422 1.706 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000011210305 518554530 /nfs/dbraw/zinc/55/45/30/518554530.db2.gz SZVOXCKSKYNMCI-SFHVURJKSA-N 1 1 353.422 1.706 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000012795520 518634725 /nfs/dbraw/zinc/63/47/25/518634725.db2.gz BCDAIDUOLNGHGI-HNNXBMFYSA-N 1 1 365.499 1.453 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000012795520 518634729 /nfs/dbraw/zinc/63/47/29/518634729.db2.gz BCDAIDUOLNGHGI-HNNXBMFYSA-N 1 1 365.499 1.453 50 0 FDAAMO O=S1(=O)C[C@@H](O)[C@H]([NH2+]CCC2CCN(Cc3ccccc3)CC2)C1 ZINC000013725273 518668061 /nfs/dbraw/zinc/66/80/61/518668061.db2.gz JFETWLBYAQPVFG-QZTJIDSGSA-N 1 1 352.500 1.036 50 0 FDAAMO CCc1c(C(=O)NCCCOC)c(=O)cc(C)n1C[C@H]1CCC[N@@H+]1CC ZINC000014966522 518702985 /nfs/dbraw/zinc/70/29/85/518702985.db2.gz VLCXKXFAVYDCNH-MRXNPFEDSA-N 1 1 363.502 1.970 50 0 FDAAMO CCCS(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000015671263 518730780 /nfs/dbraw/zinc/73/07/80/518730780.db2.gz LHTNGGQOIBRAPW-UHFFFAOYSA-N 1 1 353.492 1.247 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(CN2CCOCC2)on1 ZINC000015769485 518733764 /nfs/dbraw/zinc/73/37/64/518733764.db2.gz NTWFZKQGUAJNEN-INIZCTEOSA-N 1 1 364.490 1.891 50 0 FDAAMO Cc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1C ZINC000016311975 518748870 /nfs/dbraw/zinc/74/88/70/518748870.db2.gz NYYQXSLINZJNGD-HNNXBMFYSA-N 1 1 353.488 1.232 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(O)nc3sccn3c2=O)C1 ZINC000016690023 518767575 /nfs/dbraw/zinc/76/75/75/518767575.db2.gz ATXDHNJTFSETTH-TXEJJXNPSA-N 1 1 364.471 1.559 50 0 FDAAMO COCCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(C)CC2)c1=O ZINC000020604605 518853238 /nfs/dbraw/zinc/85/32/38/518853238.db2.gz PZQUBCWGAJWEDL-FQEVSTJZSA-N 1 1 371.481 1.846 50 0 FDAAMO Cn1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2Nc1ccccc1 ZINC000020560364 518854364 /nfs/dbraw/zinc/85/43/64/518854364.db2.gz RDMAPOWZOOQNMR-UHFFFAOYSA-N 1 1 353.430 1.221 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc32)C[C@@H](C)O1 ZINC000021526027 518876205 /nfs/dbraw/zinc/87/62/05/518876205.db2.gz DSZLUBUDVRZMAC-CHWSQXEVSA-N 1 1 358.442 1.541 50 0 FDAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000022781191 518910389 /nfs/dbraw/zinc/91/03/89/518910389.db2.gz NOSRPUVHEDHERY-HXUWFJFHSA-N 1 1 369.465 1.918 50 0 FDAAMO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([NH+]1CCN(C)CC1)C2 ZINC000023129434 518932104 /nfs/dbraw/zinc/93/21/04/518932104.db2.gz NBZGXSYPRORBDL-CQSZACIVSA-N 1 1 373.526 1.516 50 0 FDAAMO COc1ccc(C[N@@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1F ZINC000024958732 519026280 /nfs/dbraw/zinc/02/62/80/519026280.db2.gz VAKGLWXXMPFZAN-AWEZNQCLSA-N 1 1 372.396 1.923 50 0 FDAAMO COc1ccc(CNC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000025229900 519045653 /nfs/dbraw/zinc/04/56/53/519045653.db2.gz INMHGJNEQBDXEC-AEFFLSMTSA-N 1 1 363.458 1.232 50 0 FDAAMO CN(C)S(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000026169638 519104139 /nfs/dbraw/zinc/10/41/39/519104139.db2.gz QRRPIJHKYOVSGP-UHFFFAOYSA-N 1 1 374.894 1.093 50 0 FDAAMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CCn2c3ccccc3oc2=O)CC1 ZINC000026908521 519145408 /nfs/dbraw/zinc/14/54/08/519145408.db2.gz XDEARASLCYPCDW-UHFFFAOYSA-N 1 1 374.485 1.517 50 0 FDAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(CCn2c3ccccc3oc2=O)CC1 ZINC000026908521 519145421 /nfs/dbraw/zinc/14/54/21/519145421.db2.gz XDEARASLCYPCDW-UHFFFAOYSA-N 1 1 374.485 1.517 50 0 FDAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(CCn2c3ccccc3oc2=O)CC1 ZINC000026908521 519145428 /nfs/dbraw/zinc/14/54/28/519145428.db2.gz XDEARASLCYPCDW-UHFFFAOYSA-N 1 1 374.485 1.517 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000033766544 519589948 /nfs/dbraw/zinc/58/99/48/519589948.db2.gz SAPOOFFLLWATKE-BDXSIMOUSA-N 1 1 359.385 1.687 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000033766544 519589955 /nfs/dbraw/zinc/58/99/55/519589955.db2.gz SAPOOFFLLWATKE-BDXSIMOUSA-N 1 1 359.385 1.687 50 0 FDAAMO CN(C)c1cc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c2ccccc2n1 ZINC000039929889 519637527 /nfs/dbraw/zinc/63/75/27/519637527.db2.gz UDIROXBXHSNQIV-UHFFFAOYSA-N 1 1 355.442 1.437 50 0 FDAAMO CCCCOC[C@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000020807835 520804193 /nfs/dbraw/zinc/80/41/93/520804193.db2.gz SZGZECNJOSGQQZ-RTBURBONSA-N 1 1 364.486 1.474 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@H](O)COC[C@H](C)c2ccccc2)CC1 ZINC000020512897 520952757 /nfs/dbraw/zinc/95/27/57/520952757.db2.gz MDUPUTCXHHCVHO-WMZOPIPTSA-N 1 1 350.459 1.942 50 0 FDAAMO CCCCc1nc(NCCNC(=O)[C@H]2CCCN(C(N)=O)C2)cc(C)[nH+]1 ZINC000091320857 521290370 /nfs/dbraw/zinc/29/03/70/521290370.db2.gz ZMXPOYAPNSEKKR-AWEZNQCLSA-N 1 1 362.478 1.446 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000246532908 521722074 /nfs/dbraw/zinc/72/20/74/521722074.db2.gz SCSUSMZEZLULMV-WCXIOVBPSA-N 1 1 350.507 1.950 50 0 FDAAMO CCN1C[C@@H](C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)CC1=O ZINC000082120600 521726581 /nfs/dbraw/zinc/72/65/81/521726581.db2.gz UBBDZDSJJRYFIZ-HNNXBMFYSA-N 1 1 373.501 1.516 50 0 FDAAMO COCC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NC(C)C)c2C)C1 ZINC000069979642 521990645 /nfs/dbraw/zinc/99/06/45/521990645.db2.gz XQNUDFBMJCOFRW-UHFFFAOYSA-N 1 1 357.458 1.718 50 0 FDAAMO O=C1O[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2N1CCCN1CCOCC1 ZINC000071315668 522110583 /nfs/dbraw/zinc/11/05/83/522110583.db2.gz JQWPBHLEDZEPEE-RBUKOAKNSA-N 1 1 359.470 1.456 50 0 FDAAMO O=C(NCCn1cccn1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071750805 522123714 /nfs/dbraw/zinc/12/37/14/522123714.db2.gz KHYVCLWVRMKXHL-KRWDZBQOSA-N 1 1 373.501 1.112 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000071747206 522124096 /nfs/dbraw/zinc/12/40/96/522124096.db2.gz MPHNJRHLJBZGND-HNNXBMFYSA-N 1 1 363.458 1.359 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCCN1Cc1ccc(F)cc1 ZINC000071767514 522129801 /nfs/dbraw/zinc/12/98/01/522129801.db2.gz WITHSMOFSQTQJM-GOSISDBHSA-N 1 1 374.460 1.935 50 0 FDAAMO CC(C)[C@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071767514 522129809 /nfs/dbraw/zinc/12/98/09/522129809.db2.gz WITHSMOFSQTQJM-GOSISDBHSA-N 1 1 374.460 1.935 50 0 FDAAMO CC(C)[C@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071767514 522129814 /nfs/dbraw/zinc/12/98/14/522129814.db2.gz WITHSMOFSQTQJM-GOSISDBHSA-N 1 1 374.460 1.935 50 0 FDAAMO CCCn1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000072126498 522156911 /nfs/dbraw/zinc/15/69/11/522156911.db2.gz HKHZSELIOAUGLD-QGZVFWFLSA-N 1 1 373.432 1.793 50 0 FDAAMO OCCOCC[N@H+]1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072145729 522169910 /nfs/dbraw/zinc/16/99/10/522169910.db2.gz LGCYXEDBWCLDIY-KFKAGJAMSA-N 1 1 352.425 1.836 50 0 FDAAMO CN1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)c2cc3ccccc3s2)CC1 ZINC000072148473 522172732 /nfs/dbraw/zinc/17/27/32/522172732.db2.gz ZQQZVJIRCGLBTG-OAHLLOKOSA-N 1 1 372.494 1.089 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2NCCCN1CC[NH+](C)CC1 ZINC000072150426 522174469 /nfs/dbraw/zinc/17/44/69/522174469.db2.gz UMRDLTCNMXHTTQ-UHFFFAOYSA-N 1 1 366.473 1.475 50 0 FDAAMO O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072162876 522188215 /nfs/dbraw/zinc/18/82/15/522188215.db2.gz DNVJWPXAXPVRIQ-SFHVURJKSA-N 1 1 360.389 1.047 50 0 FDAAMO Cc1cccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)n1 ZINC000072161689 522188758 /nfs/dbraw/zinc/18/87/58/522188758.db2.gz HIYLMDMWINBEIH-FQEVSTJZSA-N 1 1 350.422 1.366 50 0 FDAAMO CCCc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)NCc2ccccn2)ccn1 ZINC000072161977 522189665 /nfs/dbraw/zinc/18/96/65/522189665.db2.gz XIMJPKYNLRVHRC-SFHVURJKSA-N 1 1 367.453 1.160 50 0 FDAAMO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072165849 522190622 /nfs/dbraw/zinc/19/06/22/522190622.db2.gz JLNWNBFJIRUPMZ-LJQANCHMSA-N 1 1 368.481 1.913 50 0 FDAAMO CC(=O)NC[C@H]1CCC2(CCN(Cc3cc4n(n3)CCC[NH2+]C4)CC2)O1 ZINC000072164679 522191008 /nfs/dbraw/zinc/19/10/08/522191008.db2.gz XBJAEERMYOGKAL-GOSISDBHSA-N 1 1 361.490 1.026 50 0 FDAAMO O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000072164606 522192563 /nfs/dbraw/zinc/19/25/63/522192563.db2.gz QARGTDYMNCMJCE-OAHLLOKOSA-N 1 1 354.410 1.138 50 0 FDAAMO O=C(c1ccccc1-c1nnc[nH]1)N1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000072167471 522193105 /nfs/dbraw/zinc/19/31/05/522193105.db2.gz YRKCJFNLCNSJQT-INIZCTEOSA-N 1 1 369.469 1.781 50 0 FDAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2nc(Br)cnc2N)cn1 ZINC000072301592 522209120 /nfs/dbraw/zinc/20/91/20/522209120.db2.gz XXBCAHZJYNYOIK-UHFFFAOYSA-N 1 1 374.202 1.963 50 0 FDAAMO CCCCCC[N@@H+](CCN1CCOCC1)CC(=O)NC(=O)NCC(C)C ZINC000072308252 522210194 /nfs/dbraw/zinc/21/01/94/522210194.db2.gz FTYHWPQNQPYCRS-UHFFFAOYSA-N 1 1 370.538 1.683 50 0 FDAAMO Cc1nc2c(c(NC3CCN(Cc4cccnc4)CC3)n1)CC[NH2+]CC2 ZINC000072412130 522244319 /nfs/dbraw/zinc/24/43/19/522244319.db2.gz KQHGQZYYDKMWIR-UHFFFAOYSA-N 1 1 352.486 1.945 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@H]2CCO)cc1 ZINC000072411716 522245472 /nfs/dbraw/zinc/24/54/72/522245472.db2.gz NEMGODPGCSQZKJ-GOSISDBHSA-N 1 1 355.438 1.392 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@H]2CCO)cc1 ZINC000072411716 522245478 /nfs/dbraw/zinc/24/54/78/522245478.db2.gz NEMGODPGCSQZKJ-GOSISDBHSA-N 1 1 355.438 1.392 50 0 FDAAMO COCC[NH+]1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000058344084 522248352 /nfs/dbraw/zinc/24/83/52/522248352.db2.gz JUTSPSKWNJHQHI-CQSZACIVSA-N 1 1 357.462 1.522 50 0 FDAAMO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000072447123 522280349 /nfs/dbraw/zinc/28/03/49/522280349.db2.gz URUFJOUSRMYTBS-LJQANCHMSA-N 1 1 374.441 1.529 50 0 FDAAMO O=C(CCc1ccc(=O)[nH]n1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072453534 522282138 /nfs/dbraw/zinc/28/21/38/522282138.db2.gz ZWGXPKBQTWPEKW-UHFFFAOYSA-N 1 1 368.481 1.870 50 0 FDAAMO CCOc1ccccc1CN1CCN(c2cc[nH+]c(N)n2)C[C@@H]1CCO ZINC000072447485 522282837 /nfs/dbraw/zinc/28/28/37/522282837.db2.gz UYSIBZLXMQFMER-INIZCTEOSA-N 1 1 357.458 1.531 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072475203 522295507 /nfs/dbraw/zinc/29/55/07/522295507.db2.gz MBJRZTJLRCRHLA-HNNXBMFYSA-N 1 1 363.506 1.130 50 0 FDAAMO O=C(CCc1ccc(=O)[nH]n1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072476097 522298119 /nfs/dbraw/zinc/29/81/19/522298119.db2.gz QUHNFWNXSMUCGZ-UHFFFAOYSA-N 1 1 366.465 1.404 50 0 FDAAMO COc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000061722086 522489149 /nfs/dbraw/zinc/48/91/49/522489149.db2.gz VEANKWAFPJKYEZ-SFHVURJKSA-N 1 1 357.454 1.648 50 0 FDAAMO COCCCNC(=O)[C@@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000062001328 522506555 /nfs/dbraw/zinc/50/65/55/522506555.db2.gz IFBGOCIEAPOPRI-RFUYNDQBSA-N 1 1 361.417 1.610 50 0 biogenic FDAAMO COCCCNC(=O)[C@@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000062001328 522506565 /nfs/dbraw/zinc/50/65/65/522506565.db2.gz IFBGOCIEAPOPRI-RFUYNDQBSA-N 1 1 361.417 1.610 50 0 biogenic FDAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)CN3CCCC3=O)cc2)C[C@H](C)O1 ZINC000047539058 522554526 /nfs/dbraw/zinc/55/45/26/522554526.db2.gz JUCDXAFPKCTDPJ-IYBDPMFKSA-N 1 1 359.470 1.534 50 0 FDAAMO COCC[N@H+]1CCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000048428596 522731700 /nfs/dbraw/zinc/73/17/00/522731700.db2.gz USMHSFYDURHQLG-UHFFFAOYSA-N 1 1 368.861 1.834 50 0 FDAAMO CC[NH+]1CCN(C2=NCCN2C(=O)c2ccc(Br)o2)CC1 ZINC000065306410 522805030 /nfs/dbraw/zinc/80/50/30/522805030.db2.gz CTRPLCRHWGCURS-UHFFFAOYSA-N 1 1 355.236 1.491 50 0 FDAAMO O[C@H]1CCCN(c2cc[nH+]c(NCc3csc(-c4ncccn4)n3)n2)C1 ZINC000065370715 522810325 /nfs/dbraw/zinc/81/03/25/522810325.db2.gz GJIVSPMSZDVWDL-ZDUSSCGKSA-N 1 1 369.454 1.963 50 0 FDAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccc(C)nn3)cc2)C1 ZINC000065397626 522814746 /nfs/dbraw/zinc/81/47/46/522814746.db2.gz WADPLUQTKWWGDW-KRWDZBQOSA-N 1 1 367.453 1.995 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000065422913 522817584 /nfs/dbraw/zinc/81/75/84/522817584.db2.gz SVCQZNUIZNYYMT-SFHVURJKSA-N 1 1 369.469 1.870 50 0 FDAAMO CCn1ccnc1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000065425353 522817731 /nfs/dbraw/zinc/81/77/31/522817731.db2.gz QHWZCAOZXSUXSE-YLJYHZDGSA-N 1 1 353.470 1.241 50 0 FDAAMO CC(=O)Oc1c(C)cc(C[N@H+]2CCC[C@@H](C(=O)NCCCO)C2)cc1C ZINC000065433553 522822461 /nfs/dbraw/zinc/82/24/61/522822461.db2.gz SEMXNVUZLLXZDS-GOSISDBHSA-N 1 1 362.470 1.939 50 0 FDAAMO CCN(CC)c1ccc(-c2noc(C[NH+]3CCC(C(N)=O)CC3)n2)cn1 ZINC000049409709 522842879 /nfs/dbraw/zinc/84/28/79/522842879.db2.gz UWJQOEMAMGRNBX-UHFFFAOYSA-N 1 1 358.446 1.675 50 0 FDAAMO CC(C)(CO)[NH+]1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 ZINC000075613034 522942958 /nfs/dbraw/zinc/94/29/58/522942958.db2.gz LNZOAQLEDBIJAA-UHFFFAOYSA-N 1 1 362.430 1.564 50 0 FDAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076394934 523102387 /nfs/dbraw/zinc/10/23/87/523102387.db2.gz DEXBWJDANNBKJL-CQSZACIVSA-N 1 1 351.476 1.190 50 0 FDAAMO COc1ccc(-c2cnnc(NCCC[NH+]3CCOCC3)n2)c(OC)c1 ZINC000020513442 523157009 /nfs/dbraw/zinc/15/70/09/523157009.db2.gz RSJWKUOECCQHLR-UHFFFAOYSA-N 1 1 359.430 1.690 50 0 FDAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c(OC)c1 ZINC000077354609 523306590 /nfs/dbraw/zinc/30/65/90/523306590.db2.gz OLRWAPRNYFHVMC-HXUWFJFHSA-N 1 1 362.470 1.901 50 0 FDAAMO O=C(Cn1cccnc1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077407730 523328522 /nfs/dbraw/zinc/32/85/22/523328522.db2.gz XOPBCUKLMOMCCO-UHFFFAOYSA-N 1 1 354.454 1.410 50 0 FDAAMO CCc1nn2c(nc(C[NH2+][C@H]3CC(=O)N(c4ccccc4)C3)cc2=O)s1 ZINC000077408438 523328941 /nfs/dbraw/zinc/32/89/41/523328941.db2.gz FTQUFVXMTPXXSC-ZDUSSCGKSA-N 1 1 369.450 1.609 50 0 FDAAMO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)n1 ZINC000077438348 523336403 /nfs/dbraw/zinc/33/64/03/523336403.db2.gz YCJMPDXFCBIFPW-HNNXBMFYSA-N 1 1 356.474 1.661 50 0 FDAAMO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)n1 ZINC000077438348 523336410 /nfs/dbraw/zinc/33/64/10/523336410.db2.gz YCJMPDXFCBIFPW-HNNXBMFYSA-N 1 1 356.474 1.661 50 0 FDAAMO C[NH+](C)Cc1csc(CN2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1 ZINC000077505621 523366584 /nfs/dbraw/zinc/36/65/84/523366584.db2.gz MZKGZRPGGPEISH-SJLPKXTDSA-N 1 1 374.510 1.570 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[N@@H+](C)CC3(CO)CCC3)C2=O)c1 ZINC000067540804 523486471 /nfs/dbraw/zinc/48/64/71/523486471.db2.gz POSOJYXKKOLCSZ-NRFANRHFSA-N 1 1 360.498 1.943 50 0 FDAAMO Cc1cc2nc(C(=O)N3CCC[N@H+](C)C4(CCN(C)CC4)C3)cc(C)n2n1 ZINC000067560481 523494085 /nfs/dbraw/zinc/49/40/85/523494085.db2.gz GVTGKPAVPYOLFU-UHFFFAOYSA-N 1 1 370.501 1.588 50 0 FDAAMO Cc1cc2nc(C(=O)N3CCC[N@@H+](C)C4(CCN(C)CC4)C3)cc(C)n2n1 ZINC000067560481 523494101 /nfs/dbraw/zinc/49/41/01/523494101.db2.gz GVTGKPAVPYOLFU-UHFFFAOYSA-N 1 1 370.501 1.588 50 0 FDAAMO Cc1nnsc1C(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000067604423 523510910 /nfs/dbraw/zinc/51/09/10/523510910.db2.gz IAKXPVLIFWBDOU-UHFFFAOYSA-N 1 1 373.486 1.508 50 0 FDAAMO Cc1cnc2c(C(=O)N3CCC[N@@H+](C)C4(CCN(C)CC4)C3)cnn2c1 ZINC000067605333 523512070 /nfs/dbraw/zinc/51/20/70/523512070.db2.gz ATTOPCJYCGGSBK-UHFFFAOYSA-N 1 1 356.474 1.280 50 0 FDAAMO Cc1cnc2c(C(=O)N3CCCN(C)C4(CC[NH+](C)CC4)C3)cnn2c1 ZINC000067605333 523512078 /nfs/dbraw/zinc/51/20/78/523512078.db2.gz ATTOPCJYCGGSBK-UHFFFAOYSA-N 1 1 356.474 1.280 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)[nH+]1 ZINC000067622466 523521804 /nfs/dbraw/zinc/52/18/04/523521804.db2.gz YIWRXKMGAYAMPQ-UHFFFAOYSA-N 1 1 367.500 1.423 50 0 FDAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067640978 523530580 /nfs/dbraw/zinc/53/05/80/523530580.db2.gz UAMQMQDECZENNP-CQSZACIVSA-N 1 1 350.463 1.091 50 0 FDAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000067743645 523568921 /nfs/dbraw/zinc/56/89/21/523568921.db2.gz FCXHODNHFAHGHE-MRXNPFEDSA-N 1 1 359.470 1.788 50 0 FDAAMO CCc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000054092227 523569231 /nfs/dbraw/zinc/56/92/31/523569231.db2.gz ULWSEVKOBANOTM-IRXDYDNUSA-N 1 1 371.524 1.721 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000067770503 523578201 /nfs/dbraw/zinc/57/82/01/523578201.db2.gz DSETZGZJZNPBIW-QGZVFWFLSA-N 1 1 360.502 1.521 50 0 FDAAMO Cc1cc2nc(CCC(=O)N3CCC4(CC3)[NH2+]CCNC4=O)[nH]c2cc1C ZINC000067821876 523595315 /nfs/dbraw/zinc/59/53/15/523595315.db2.gz IYTDVEQGQDVKQK-UHFFFAOYSA-N 1 1 369.469 1.193 50 0 FDAAMO CC(C)C(=O)N1CCC2(CC1)CN(Cc1cccc3nonc31)CC[N@H+]2C ZINC000067833501 523599334 /nfs/dbraw/zinc/59/93/34/523599334.db2.gz PEUKFGQWAFNESF-UHFFFAOYSA-N 1 1 371.485 1.987 50 0 FDAAMO CC(C)C(=O)N1CCC2(CC1)C[N@H+](Cc1cccc3nonc31)CCN2C ZINC000067833501 523599344 /nfs/dbraw/zinc/59/93/44/523599344.db2.gz PEUKFGQWAFNESF-UHFFFAOYSA-N 1 1 371.485 1.987 50 0 FDAAMO CC(C)C(=O)N1CCC2(CC1)C[N@@H+](Cc1cccc3nonc31)CCN2C ZINC000067833501 523599348 /nfs/dbraw/zinc/59/93/48/523599348.db2.gz PEUKFGQWAFNESF-UHFFFAOYSA-N 1 1 371.485 1.987 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1CO ZINC000091440091 523618350 /nfs/dbraw/zinc/61/83/50/523618350.db2.gz DLPBWUAZPMKQJR-HZPDHXFCSA-N 1 1 366.527 1.886 50 0 FDAAMO CN(CCO)c1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000067908362 523629752 /nfs/dbraw/zinc/62/97/52/523629752.db2.gz MWLQETOOKFKJBG-UHFFFAOYSA-N 1 1 360.502 1.991 50 0 FDAAMO CN1CCN(Cc2ccc(-c3ccc(F)c4c3O[C@@H](C[NH3+])C4)nc2)CC1 ZINC000067909998 523630222 /nfs/dbraw/zinc/63/02/22/523630222.db2.gz SROUAWAKYKWKPW-OAHLLOKOSA-N 1 1 356.445 1.897 50 0 FDAAMO NC(=O)c1cccnc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000067908051 523630923 /nfs/dbraw/zinc/63/09/23/523630923.db2.gz FYIVKOIAMPIRJB-UHFFFAOYSA-N 1 1 362.437 1.893 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000091663195 523673465 /nfs/dbraw/zinc/67/34/65/523673465.db2.gz LEGOGVYLDWNMMG-HUUCEWRRSA-N 1 1 368.861 1.361 50 0 FDAAMO CC(=O)Oc1c(C)cc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1C ZINC000055108993 523748910 /nfs/dbraw/zinc/74/89/10/523748910.db2.gz VQKQSFNXEOLOFH-OALUTQOASA-N 1 1 361.486 1.021 50 0 FDAAMO CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCC[NH+]2CCOCC2)C1(C)C ZINC000055120343 523752773 /nfs/dbraw/zinc/75/27/73/523752773.db2.gz NYBVKERZVAUXFL-BEFAXECRSA-N 1 1 353.507 1.404 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)CCCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091620590 523806139 /nfs/dbraw/zinc/80/61/39/523806139.db2.gz LKVSFUPOFQEPTH-NHCUHLMSSA-N 1 1 373.541 1.714 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)CCCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091620590 523806145 /nfs/dbraw/zinc/80/61/45/523806145.db2.gz LKVSFUPOFQEPTH-NHCUHLMSSA-N 1 1 373.541 1.714 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)CCCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091620590 523806154 /nfs/dbraw/zinc/80/61/54/523806154.db2.gz LKVSFUPOFQEPTH-NHCUHLMSSA-N 1 1 373.541 1.714 50 0 FDAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055402721 523807145 /nfs/dbraw/zinc/80/71/45/523807145.db2.gz WPNCGDFVJWXLAN-UONOGXRCSA-N 1 1 358.490 1.910 50 0 FDAAMO COc1ccccc1-c1noc(CCC(=O)NCCC[NH+]2CCOCC2)n1 ZINC000055393535 523807409 /nfs/dbraw/zinc/80/74/09/523807409.db2.gz DEOLFZRWYZHPDD-UHFFFAOYSA-N 1 1 374.441 1.516 50 0 FDAAMO CN1C[C@H](C(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)CC1=O ZINC000082171064 524020036 /nfs/dbraw/zinc/02/00/36/524020036.db2.gz CEQWFHMJJZAAAP-OAHLLOKOSA-N 1 1 373.501 1.516 50 0 FDAAMO C[C@@H](C[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000082091299 524206571 /nfs/dbraw/zinc/20/65/71/524206571.db2.gz YJOVAYNPEFOWBE-HNNXBMFYSA-N 1 1 362.499 1.942 50 0 FDAAMO Cc1ccc(C2(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)CC2)cc1 ZINC000091680353 524225841 /nfs/dbraw/zinc/22/58/41/524225841.db2.gz QOTIBIAVIRANJR-RTBURBONSA-N 1 1 373.541 1.587 50 0 FDAAMO Cc1ccc(C2(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)CC2)cc1 ZINC000091680353 524225851 /nfs/dbraw/zinc/22/58/51/524225851.db2.gz QOTIBIAVIRANJR-RTBURBONSA-N 1 1 373.541 1.587 50 0 FDAAMO CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000173735694 524448065 /nfs/dbraw/zinc/44/80/65/524448065.db2.gz JBKCFLMDQZONNL-SFHVURJKSA-N 1 1 359.470 1.650 50 0 FDAAMO CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000173735694 524448071 /nfs/dbraw/zinc/44/80/71/524448071.db2.gz JBKCFLMDQZONNL-SFHVURJKSA-N 1 1 359.470 1.650 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000089484461 524506746 /nfs/dbraw/zinc/50/67/46/524506746.db2.gz AAMTWQJWVWOOGP-DOTOQJQBSA-N 1 1 369.531 1.133 50 0 FDAAMO COc1ccc(CCNC(=O)C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000091254403 524684950 /nfs/dbraw/zinc/68/49/50/524684950.db2.gz YFSGLHYOWMXOHU-HXUWFJFHSA-N 1 1 359.470 1.298 50 0 FDAAMO O=C(c1cccc(Cl)c1F)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091320694 524691266 /nfs/dbraw/zinc/69/12/66/524691266.db2.gz AODVCTTZBSSZLB-CHWSQXEVSA-N 1 1 356.825 1.492 50 0 FDAAMO COc1ccc(CCN2C[C@@H](C(=O)N3CC[NH+](C)CC3)CCC2=O)cc1 ZINC000091452568 524708685 /nfs/dbraw/zinc/70/86/85/524708685.db2.gz IOZKZEZYJJUQSQ-KRWDZBQOSA-N 1 1 359.470 1.250 50 0 FDAAMO Cc1noc(C[NH+]2CCC3(CCC(=O)N(Cc4cnc(C)cn4)C3)CC2)n1 ZINC000091519168 524719941 /nfs/dbraw/zinc/71/99/41/524719941.db2.gz QZHPNUALQQDTGN-UHFFFAOYSA-N 1 1 370.457 1.881 50 0 FDAAMO CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000091574589 524729314 /nfs/dbraw/zinc/72/93/14/524729314.db2.gz DROCLAGELIKSKF-LJQANCHMSA-N 1 1 358.442 1.707 50 0 FDAAMO Cc1cc(N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)nc(-c2ccccc2O)n1 ZINC000091585913 524730001 /nfs/dbraw/zinc/73/00/01/524730001.db2.gz XKJQWRDAIIFSMW-WMZOPIPTSA-N 1 1 370.453 1.429 50 0 FDAAMO Cc1cc(N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)nc(-c2ccccc2O)n1 ZINC000091585913 524730008 /nfs/dbraw/zinc/73/00/08/524730008.db2.gz XKJQWRDAIIFSMW-WMZOPIPTSA-N 1 1 370.453 1.429 50 0 FDAAMO Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091593041 524733995 /nfs/dbraw/zinc/73/39/95/524733995.db2.gz SIKYGZCCNWWADN-MRXNPFEDSA-N 1 1 374.485 1.840 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(Cc2c(F)c(F)c(F)c(F)c2F)C[C@@H]1CO ZINC000091625275 524745386 /nfs/dbraw/zinc/74/53/86/524745386.db2.gz RVONFLOTGBDUKX-NXEZZACHSA-N 1 1 368.346 1.347 50 0 FDAAMO CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2F)N(C)C)(N(C)C)CC1 ZINC000091644995 524752779 /nfs/dbraw/zinc/75/27/79/524752779.db2.gz GABSGBAHVSEOOQ-SFHVURJKSA-N 1 1 364.509 1.961 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c(=O)c3ccccc31)C2 ZINC000091695651 524764595 /nfs/dbraw/zinc/76/45/95/524764595.db2.gz RFICTUOYAYRXHS-ZIAGYGMSSA-N 1 1 356.426 1.106 50 0 FDAAMO O=C(CN1CCOC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091820354 524791233 /nfs/dbraw/zinc/79/12/33/524791233.db2.gz CXBUTPMCNDCJLP-MAUKXSAKSA-N 1 1 369.465 1.529 50 0 FDAAMO C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000093173505 524959824 /nfs/dbraw/zinc/95/98/24/524959824.db2.gz UGZYKCSSYXDBIM-YOEHRIQHSA-N 1 1 351.878 1.876 50 0 FDAAMO Cc1csc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000079480531 526385555 /nfs/dbraw/zinc/38/55/55/526385555.db2.gz CVNNTBFINKVZNA-UHFFFAOYSA-N 1 1 373.482 1.917 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082161350 527391698 /nfs/dbraw/zinc/39/16/98/527391698.db2.gz RCHZMYMDAOCCCA-IBGZPJMESA-N 1 1 362.474 1.195 50 0 FDAAMO COc1ccc(-c2csc3ncnc(N4CC[NH2+][C@H](C(N)=O)C4)c23)cc1 ZINC000057398769 536502097 /nfs/dbraw/zinc/50/20/97/536502097.db2.gz FETSKWYNFHRMKR-AWEZNQCLSA-N 1 1 369.450 1.630 50 0 FDAAMO COCCCN1C[C@]2(CCCN(c3nc(N(C)C)cc[nH+]3)C2)CCC1=O ZINC000077503401 536548292 /nfs/dbraw/zinc/54/82/92/536548292.db2.gz CKZJWJWMNZHNCJ-IBGZPJMESA-N 1 1 361.490 1.788 50 0 FDAAMO Cc1nc(C)c(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC000218799285 537467492 /nfs/dbraw/zinc/46/74/92/537467492.db2.gz ZVIDSLACUPELNK-GOSISDBHSA-N 1 1 368.481 1.910 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)C[N@H+](C2CCN(C(C)=O)CC2)CC3)cn1 ZINC000219593045 537477729 /nfs/dbraw/zinc/47/77/29/537477729.db2.gz MKVPQXCMIBOICS-UHFFFAOYSA-N 1 1 355.442 1.849 50 0 FDAAMO CC[N@H+]1CC[C@H](NC(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)C1 ZINC000220057864 537482820 /nfs/dbraw/zinc/48/28/20/537482820.db2.gz HULGZUIIFHJSHC-KXBFYZLASA-N 1 1 358.442 1.374 50 0 FDAAMO CCn1nc(C)cc1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1 ZINC000220653188 537494399 /nfs/dbraw/zinc/49/43/99/537494399.db2.gz WQIZMMLWJMGQJM-XLNGHYISSA-N 1 1 368.503 1.132 50 0 FDAAMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)Cc1ccccc1C(=O)OC ZINC000225548651 537553828 /nfs/dbraw/zinc/55/38/28/537553828.db2.gz NKYTZCFPAJTRTJ-OAHLLOKOSA-N 1 1 354.472 1.719 50 0 FDAAMO Cc1nonc1CN1CCN(C(=O)[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000299774708 537595503 /nfs/dbraw/zinc/59/55/03/537595503.db2.gz IWLDMDVOOUHNPD-GOSISDBHSA-N 1 1 355.442 1.079 50 0 FDAAMO Cc1nonc1CN1CCN(C(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000299774708 537595505 /nfs/dbraw/zinc/59/55/05/537595505.db2.gz IWLDMDVOOUHNPD-GOSISDBHSA-N 1 1 355.442 1.079 50 0 FDAAMO CCOc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)c1 ZINC000244601964 537648253 /nfs/dbraw/zinc/64/82/53/537648253.db2.gz DVECCJKVFYWBQF-RTBURBONSA-N 1 1 355.438 1.846 50 0 FDAAMO CCOc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)c1 ZINC000244601964 537648255 /nfs/dbraw/zinc/64/82/55/537648255.db2.gz DVECCJKVFYWBQF-RTBURBONSA-N 1 1 355.438 1.846 50 0 FDAAMO Cc1ccc(C)c(NC(=O)CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1 ZINC000244678573 537650061 /nfs/dbraw/zinc/65/00/61/537650061.db2.gz IGAUTFGZECPDBW-UHFFFAOYSA-N 1 1 358.486 1.528 50 0 FDAAMO CN1C[C@]2(CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)OC1=O ZINC000244724386 537651598 /nfs/dbraw/zinc/65/15/98/537651598.db2.gz MSXDXJQAEOWJHZ-NRFANRHFSA-N 1 1 372.513 1.721 50 0 FDAAMO CN1C[C@]2(CCC[N@H+](CCN3CCN(Cc4ccccc4)CC3)C2)OC1=O ZINC000244724386 537651601 /nfs/dbraw/zinc/65/16/01/537651601.db2.gz MSXDXJQAEOWJHZ-NRFANRHFSA-N 1 1 372.513 1.721 50 0 FDAAMO C[N@H+](CCC(=O)NC1(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000244840371 537653115 /nfs/dbraw/zinc/65/31/15/537653115.db2.gz ULZCGAFPHJEXLS-OAHLLOKOSA-N 1 1 370.902 1.954 50 0 FDAAMO C[N@@H+](CCC(=O)NC1(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000244840371 537653116 /nfs/dbraw/zinc/65/31/16/537653116.db2.gz ULZCGAFPHJEXLS-OAHLLOKOSA-N 1 1 370.902 1.954 50 0 FDAAMO CNc1nc(C)cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000285314011 537682335 /nfs/dbraw/zinc/68/23/35/537682335.db2.gz KIEAXGUEILNMQM-WMLDXEAASA-N 1 1 371.489 1.715 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)c3ccc(-c4nccs4)cc3)C[C@@H]2O)CC1 ZINC000426698231 538123717 /nfs/dbraw/zinc/12/37/17/538123717.db2.gz LEIREAYVSADNLJ-IRXDYDNUSA-N 1 1 372.494 1.243 50 0 FDAAMO COc1cccc(N2CCN(C(=O)NC[C@H]3CCC[N@H+]3C(C)C)CC2=O)c1 ZINC000584888525 551565113 /nfs/dbraw/zinc/56/51/13/551565113.db2.gz RHPBPGYUSLSBQH-QGZVFWFLSA-N 1 1 374.485 1.926 50 0 FDAAMO CCN1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@H](O)c2ccccc2)CC1 ZINC000584903141 551567722 /nfs/dbraw/zinc/56/77/22/551567722.db2.gz HITUGYUTJDQQPL-WMZOPIPTSA-N 1 1 362.518 1.824 50 0 FDAAMO Cc1cc(CN2CC[N@@H+](Cc3ccnc(C)c3)C[C@@H]2C(=O)N(C)C)ccn1 ZINC000621268409 556055701 /nfs/dbraw/zinc/05/57/01/556055701.db2.gz IUTHDPKQGWTCOU-HXUWFJFHSA-N 1 1 367.497 1.868 50 0 FDAAMO Cc1cc(CN2CC[N@H+](Cc3ccnc(C)c3)C[C@@H]2C(=O)N(C)C)ccn1 ZINC000621268409 556055703 /nfs/dbraw/zinc/05/57/03/556055703.db2.gz IUTHDPKQGWTCOU-HXUWFJFHSA-N 1 1 367.497 1.868 50 0 FDAAMO Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000426433961 570604723 /nfs/dbraw/zinc/60/47/23/570604723.db2.gz FDRLYCIUVGSNRA-LSDHHAIUSA-N 1 1 355.446 1.886 50 0 FDAAMO Cc1ccc2[nH]c(CNC(=O)N3CC[N@@H+](CC4CC4)[C@@H](CCO)C3)nc2c1 ZINC000426538011 570614688 /nfs/dbraw/zinc/61/46/88/570614688.db2.gz AQRZRQUUUDETFM-INIZCTEOSA-N 1 1 371.485 1.860 50 0 FDAAMO Cc1ccc2nc(CNC(=O)N3CC[N@H+](CC4CC4)[C@@H](CCO)C3)[nH]c2c1 ZINC000426538011 570614689 /nfs/dbraw/zinc/61/46/89/570614689.db2.gz AQRZRQUUUDETFM-INIZCTEOSA-N 1 1 371.485 1.860 50 0 FDAAMO Cc1ccc2nc(CNC(=O)N3CC[N@@H+](CC4CC4)[C@@H](CCO)C3)[nH]c2c1 ZINC000426538011 570614691 /nfs/dbraw/zinc/61/46/91/570614691.db2.gz AQRZRQUUUDETFM-INIZCTEOSA-N 1 1 371.485 1.860 50 0 FDAAMO Cc1cc(=O)c(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)cn1C ZINC000426538708 570614781 /nfs/dbraw/zinc/61/47/81/570614781.db2.gz YUCHTIIKHYADBM-UHFFFAOYSA-N 1 1 351.450 1.619 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1Cc3ccccc3C[N@H+]1C)CC2 ZINC000426573349 570616910 /nfs/dbraw/zinc/61/69/10/570616910.db2.gz YBQSWUUJGIBEGA-GOSISDBHSA-N 1 1 352.438 1.475 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1Cc3ccccc3C[N@@H+]1C)CC2 ZINC000426573349 570616913 /nfs/dbraw/zinc/61/69/13/570616913.db2.gz YBQSWUUJGIBEGA-GOSISDBHSA-N 1 1 352.438 1.475 50 0 FDAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000107563660 570897796 /nfs/dbraw/zinc/89/77/96/570897796.db2.gz JZRGHWFEQCUHQC-IRXDYDNUSA-N 1 1 351.443 1.840 50 0 FDAAMO CC[C@](C)(CNC(=O)Nc1cccc(-n2nnnc2C)c1)[NH+]1CCOCC1 ZINC000045687334 570910966 /nfs/dbraw/zinc/91/09/66/570910966.db2.gz BYAGADRSURLMSG-GOSISDBHSA-N 1 1 373.461 1.593 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263617128 571046773 /nfs/dbraw/zinc/04/67/73/571046773.db2.gz MEEUQRMJCUDTOB-KRWDZBQOSA-N 1 1 355.442 1.716 50 0 FDAAMO O=C(Cn1ncc2ccccc21)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000243902041 571112588 /nfs/dbraw/zinc/11/25/88/571112588.db2.gz BFHIXUCFUVYCJF-IEBWSBKVSA-N 1 1 365.437 1.183 50 0 FDAAMO O=C(Cn1ncc2ccccc21)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000243902041 571112589 /nfs/dbraw/zinc/11/25/89/571112589.db2.gz BFHIXUCFUVYCJF-IEBWSBKVSA-N 1 1 365.437 1.183 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)CC1Cc3ccccc3C1)CC2 ZINC000244898873 571119884 /nfs/dbraw/zinc/11/98/84/571119884.db2.gz ZDCIKKPUJIPRFI-UHFFFAOYSA-N 1 1 355.482 1.604 50 0 FDAAMO CN(CCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1)c1ccccc1 ZINC000426545144 571128934 /nfs/dbraw/zinc/12/89/34/571128934.db2.gz VXCZGPZXGMJQPD-HNNXBMFYSA-N 1 1 369.469 1.710 50 0 FDAAMO CC(C)Cn1cncc1CNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426444887 571129525 /nfs/dbraw/zinc/12/95/25/571129525.db2.gz IKECJIAASTZBGZ-AWEZNQCLSA-N 1 1 372.473 1.626 50 0 FDAAMO Cn1c2ccccc2cc(CN2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)c1=O ZINC000252483284 571131877 /nfs/dbraw/zinc/13/18/77/571131877.db2.gz DYLORSDCTRKWPZ-IBGZPJMESA-N 1 1 355.482 1.817 50 0 FDAAMO COc1ccc(CN(C)c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)cc1 ZINC000426414442 571133561 /nfs/dbraw/zinc/13/35/61/571133561.db2.gz PYCUVJRRHNUEGK-OAHLLOKOSA-N 1 1 358.442 2.030 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000252527605 571133710 /nfs/dbraw/zinc/13/37/10/571133710.db2.gz CZKCLYMACLWWJO-ULQDDVLXSA-N 1 1 369.469 1.334 50 0 FDAAMO Nc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426419687 571138708 /nfs/dbraw/zinc/13/87/08/571138708.db2.gz FZWYLVPONUXVPH-HNNXBMFYSA-N 1 1 353.426 1.525 50 0 FDAAMO CCN1CC[NH+](C(C)(C)CNC(=O)c2ccccc2-n2cnnc2)CC1 ZINC000299757507 571192546 /nfs/dbraw/zinc/19/25/46/571192546.db2.gz IHSUZOFMQZKTKL-UHFFFAOYSA-N 1 1 356.474 1.413 50 0 FDAAMO CCc1[nH+]ccn1CCNc1cc([C@@H]2CCOC2)nc(N2CC(O)C2)n1 ZINC000299760577 571193448 /nfs/dbraw/zinc/19/34/48/571193448.db2.gz VDDPJINNNFASQN-CYBMUJFWSA-N 1 1 358.446 1.032 50 0 FDAAMO CCn1nnc(-c2cccc(NC(=O)NCCC[NH+]3CCOCC3)c2)n1 ZINC000299764825 571194343 /nfs/dbraw/zinc/19/43/43/571194343.db2.gz MQBNLQADFXRJRX-UHFFFAOYSA-N 1 1 359.434 1.204 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@H+](C/C=C/c1ccc(OC)cc1)C2 ZINC000299770980 571195667 /nfs/dbraw/zinc/19/56/67/571195667.db2.gz OUUQSMMWHQYBJP-ONEGZZNKSA-N 1 1 370.453 1.683 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@@H+](C/C=C/c1ccc(OC)cc1)C2 ZINC000299770980 571195669 /nfs/dbraw/zinc/19/56/69/571195669.db2.gz OUUQSMMWHQYBJP-ONEGZZNKSA-N 1 1 370.453 1.683 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CN2CCOCC2)c1 ZINC000299770268 571195691 /nfs/dbraw/zinc/19/56/91/571195691.db2.gz QUCATLHSJGFRSO-LJQANCHMSA-N 1 1 369.465 1.898 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1coc(CN2CCOCC2)c1 ZINC000299770268 571195693 /nfs/dbraw/zinc/19/56/93/571195693.db2.gz QUCATLHSJGFRSO-LJQANCHMSA-N 1 1 369.465 1.898 50 0 FDAAMO CN(c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1)C1Cc2ccccc2C1 ZINC000299771229 571195925 /nfs/dbraw/zinc/19/59/25/571195925.db2.gz URBYCZLLPCXGEB-MRXNPFEDSA-N 1 1 354.454 1.988 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)Nc1cc(F)c2c(c1)NC(=O)CO2 ZINC000299773793 571196538 /nfs/dbraw/zinc/19/65/38/571196538.db2.gz FUAUPLPURHQVAT-GFCCVEGCSA-N 1 1 366.393 1.125 50 0 FDAAMO CO[C@]12CC[N@@H+](CCn3cc[nH]c3=O)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299782110 571198227 /nfs/dbraw/zinc/19/82/27/571198227.db2.gz VDRGSBZHRVVSLM-JTDSTZFVSA-N 1 1 358.442 1.662 50 0 FDAAMO COc1ccccc1OC1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000299790226 571200429 /nfs/dbraw/zinc/20/04/29/571200429.db2.gz BOHRQAJUYUXBLE-UHFFFAOYSA-N 1 1 361.486 1.703 50 0 FDAAMO C[N@H+]1C[C@H](NC(=O)Nc2ccc(OCCc3ccccn3)cc2)C[C@H]1CO ZINC000299801425 571203350 /nfs/dbraw/zinc/20/33/50/571203350.db2.gz YVBIBBPNFFVYMF-MSOLQXFVSA-N 1 1 370.453 1.890 50 0 FDAAMO CN(C(=O)NCCSc1nncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426376273 571216791 /nfs/dbraw/zinc/21/67/91/571216791.db2.gz CPWIGTNMDCHVPC-MRXNPFEDSA-N 1 1 374.514 1.823 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CC[N@@H+]([C@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426399298 571220115 /nfs/dbraw/zinc/22/01/15/571220115.db2.gz WWHXVGXUOSZZPE-SFHVURJKSA-N 1 1 357.433 1.753 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CC[N@H+]([C@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426399298 571220117 /nfs/dbraw/zinc/22/01/17/571220117.db2.gz WWHXVGXUOSZZPE-SFHVURJKSA-N 1 1 357.433 1.753 50 0 FDAAMO OCCNc1nc(NCc2cc3ccccc3[nH]2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426409296 571221394 /nfs/dbraw/zinc/22/13/94/571221394.db2.gz JQHTZYRQBFAUEY-CQSZACIVSA-N 1 1 353.426 1.322 50 0 FDAAMO CNc1ccnc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](O)C3)cc2)n1 ZINC000426489990 571227960 /nfs/dbraw/zinc/22/79/60/571227960.db2.gz GHFDIQIFRHHLGZ-QGZVFWFLSA-N 1 1 369.469 1.184 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426545036 571231044 /nfs/dbraw/zinc/23/10/44/571231044.db2.gz KHAAQPCTBMKCQP-CQSZACIVSA-N 1 1 356.426 1.377 50 0 FDAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426546073 571231210 /nfs/dbraw/zinc/23/12/10/571231210.db2.gz DLIBBRYQIUAEQS-GOEBONIOSA-N 1 1 369.473 1.923 50 0 FDAAMO CN(CCO)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426691178 571235380 /nfs/dbraw/zinc/23/53/80/571235380.db2.gz LPHAQHMQJQKRMJ-NRFANRHFSA-N 1 1 359.514 1.468 50 0 FDAAMO CCC(=O)NCc1cc2n(n1)CCN([C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426690495 571235411 /nfs/dbraw/zinc/23/54/11/571235411.db2.gz AWIKZIOCLXTOAW-IBGZPJMESA-N 1 1 367.497 1.999 50 0 FDAAMO COc1ccccc1CCNC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000426711510 571235983 /nfs/dbraw/zinc/23/59/83/571235983.db2.gz UYYJLVVMCWGBGV-UHFFFAOYSA-N 1 1 374.485 1.234 50 0 FDAAMO CCOC[C@@H](C)CS(=O)(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000253427883 571313185 /nfs/dbraw/zinc/31/31/85/571313185.db2.gz HCVZKYLWCMPNDO-SJORKVTESA-N 1 1 363.568 1.337 50 0 FDAAMO C[C@H](CCc1ncnn1-c1ccc2c(c1)OCCO2)N1CC[NH+](C)CC1 ZINC000670438927 571348056 /nfs/dbraw/zinc/34/80/56/571348056.db2.gz MGUYJMFSYZXUNI-OAHLLOKOSA-N 1 1 357.458 1.607 50 0 FDAAMO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccccn2)CC1 ZINC000112703210 671642308 /nfs/dbraw/zinc/64/23/08/671642308.db2.gz PTPLGPFHIBDDET-UHFFFAOYSA-N 1 1 351.394 1.870 50 0 FDAAMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cc1Cl ZINC000252480243 672593341 /nfs/dbraw/zinc/59/33/41/672593341.db2.gz BYYVWCJOJUZFQF-JLUCKKNBSA-N 1 1 354.834 1.351 50 0 FDAAMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cc1Cl ZINC000252480243 672593346 /nfs/dbraw/zinc/59/33/46/672593346.db2.gz BYYVWCJOJUZFQF-JLUCKKNBSA-N 1 1 354.834 1.351 50 0 FDAAMO O=S(=O)(C1CC1)N1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000376749762 678372340 /nfs/dbraw/zinc/37/23/40/678372340.db2.gz IMHSKNGYPGJADG-UHFFFAOYSA-N 1 1 350.444 1.670 50 0 FDAAMO O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000376749762 678372343 /nfs/dbraw/zinc/37/23/43/678372343.db2.gz IMHSKNGYPGJADG-UHFFFAOYSA-N 1 1 350.444 1.670 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N3CCC[C@H]3CO)Cc3ccccc3C2)CC1 ZINC000023374797 785845798 /nfs/dbraw/zinc/84/57/98/785845798.db2.gz JIILPFJXIUIPNI-IBGZPJMESA-N 1 1 357.498 1.145 50 0 FDAAMO Cc1ccc(C)c(C[N@@H+]2CCc3nnc(CNC(=O)C4CC4)n3CC2)c1 ZINC000019740522 792335263 /nfs/dbraw/zinc/33/52/63/792335263.db2.gz LPZDWFHKBBROSN-UHFFFAOYSA-N 1 1 353.470 1.979 50 0 FDAAMO COc1cccc(C[N@@H+]2CC[C@H](c3nnc4n3CCN(C)CC4)C2)c1OC ZINC000257188298 793968917 /nfs/dbraw/zinc/96/89/17/793968917.db2.gz FDTGNUHSYASGEO-INIZCTEOSA-N 1 1 371.485 1.773 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@H](c3nnc4n3CCN(C)CC4)C2)c1OC ZINC000257188298 793968923 /nfs/dbraw/zinc/96/89/23/793968923.db2.gz FDTGNUHSYASGEO-INIZCTEOSA-N 1 1 371.485 1.773 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2ccncc2)C1 ZINC000257188489 794004972 /nfs/dbraw/zinc/00/49/72/794004972.db2.gz FQJDOTWVCNQMHG-ZWKOTPCHSA-N 1 1 355.438 1.703 50 0 FDAAMO CCOc1ccccc1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2ccncc2)C1 ZINC000257188489 794004983 /nfs/dbraw/zinc/00/49/83/794004983.db2.gz FQJDOTWVCNQMHG-ZWKOTPCHSA-N 1 1 355.438 1.703 50 0 FDAAMO O=C(N1CC[NH+](Cc2ccccc2)CC1)[C@@]1(CCO)CC12CCOCC2 ZINC000581811239 794256244 /nfs/dbraw/zinc/25/62/44/794256244.db2.gz BWDHEDRGCCTWJL-OAQYLSRUSA-N 1 1 358.482 1.900 50 0 FDAAMO C[N@H+]1C[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@@]2(C(=O)N2CCCC2)C1 ZINC000675020949 795240559 /nfs/dbraw/zinc/24/05/59/795240559.db2.gz IVTCDPXMMBPOQO-KKSFZXQISA-N 1 1 366.465 1.794 50 0 FDAAMO O=C([C@@H](c1cccnc1)[NH+]1CCCC1)N1CCc2nc[nH]c(=O)c2CC1 ZINC000299781565 833143305 /nfs/dbraw/zinc/14/33/05/833143305.db2.gz LFSJEDJVYZSMNC-QGZVFWFLSA-N 1 1 353.426 1.342 50 0 FDAAMO CC(C)C[N@@H+]1CCc2nnc([C@@H]3CCN(C(=O)c4cccnc4)C3)n2CC1 ZINC000257187971 864538961 /nfs/dbraw/zinc/53/89/61/864538961.db2.gz MHTRTKYAMPVPKS-QGZVFWFLSA-N 1 1 368.485 1.817 50 0 FDAAMO O=c1c2ccccc2ncn1CC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000172248610 865539366 /nfs/dbraw/zinc/53/93/66/865539366.db2.gz LQNRHNSMPAODDL-KRWDZBQOSA-N 1 1 356.470 1.583 50 0 FDAAMO O=C(CN1C(=O)CCC1=O)N1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678193611 876430880 /nfs/dbraw/zinc/43/08/80/876430880.db2.gz JSHINFDCHBNULR-UHFFFAOYSA-N 1 1 355.438 1.357 50 0 FDAAMO COCC1CCN(S(=O)(=O)NCC[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000824372022 922958581 /nfs/dbraw/zinc/95/85/81/922958581.db2.gz BNNATAGOVKPEEY-KRWDZBQOSA-N 1 1 361.552 1.832 50 0 FDAAMO Cc1nc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n(C)n1 ZINC000825273233 923555618 /nfs/dbraw/zinc/55/56/18/923555618.db2.gz GWLOBXRVMSAXBH-LJQANCHMSA-N 1 1 360.506 1.032 50 0 FDAAMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)nc(C)n1 ZINC000828827026 924944468 /nfs/dbraw/zinc/94/44/68/924944468.db2.gz MAMICIOKIMNLCK-OAHLLOKOSA-N 1 1 358.442 1.821 50 0 FDAAMO O=C(NCCCN1CCCC1=O)[C@]1(CCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000581811645 927597335 /nfs/dbraw/zinc/59/73/35/927597335.db2.gz XHLMVXIIRYLLIF-NRFANRHFSA-N 1 1 373.497 1.390 50 0 FDAAMO Cc1ccc(C(=O)N[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]2C(C)C)n1C ZINC000219556543 943897265 /nfs/dbraw/zinc/89/72/65/943897265.db2.gz FZHDNJPZBVLJLV-CABCVRRESA-N 1 1 355.504 1.064 50 0 FDAAMO Cc1ccc(C(=O)N[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]2C(C)C)n1C ZINC000219556543 943897274 /nfs/dbraw/zinc/89/72/74/943897274.db2.gz FZHDNJPZBVLJLV-CABCVRRESA-N 1 1 355.504 1.064 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cncnc1N ZINC000192237324 952873802 /nfs/dbraw/zinc/87/38/02/952873802.db2.gz XEQPAMCDDKRXSV-OAHLLOKOSA-N 1 1 355.442 1.891 50 0 FDAAMO Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c1C ZINC000952965340 960250258 /nfs/dbraw/zinc/25/02/58/960250258.db2.gz RIQKRJWEDNKENQ-CYBMUJFWSA-N 1 1 359.430 1.423 50 0 FDAAMO Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c1C ZINC000952965340 960250268 /nfs/dbraw/zinc/25/02/68/960250268.db2.gz RIQKRJWEDNKENQ-CYBMUJFWSA-N 1 1 359.430 1.423 50 0 FDAAMO COC[C@@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000952972145 960265942 /nfs/dbraw/zinc/26/59/42/960265942.db2.gz DKXDRSANLLGYOH-HNNXBMFYSA-N 1 1 373.544 1.611 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000952968427 960283659 /nfs/dbraw/zinc/28/36/59/960283659.db2.gz OSEBDOGCLCIURG-GOSISDBHSA-N 1 1 358.486 1.096 50 0 FDAAMO CCCc1cc(N2CCC([N@H+]3CCc4n[nH]c(CO)c4C3)CC2)nc(C)n1 ZINC000096135779 1015016438 /nfs/dbraw/zinc/01/64/38/1015016438.db2.gz WWCVTWGUGMVQJM-UHFFFAOYSA-N 1 1 370.501 1.980 50 0 FDAAMO Cc1nc(C)n(CCCNC(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)n1 ZINC000223496102 222782377 /nfs/dbraw/zinc/78/23/77/222782377.db2.gz NHOXXKZJJZUKRZ-QGZVFWFLSA-N 1 1 359.430 1.433 50 0 FDAAMO Cc1ccc[nH+]c1NCCNC(=O)N1CCOc2ccc(CO)cc2C1 ZINC000534592678 540387435 /nfs/dbraw/zinc/38/74/35/540387435.db2.gz WOAPUTMMAOXMRF-UHFFFAOYSA-N 1 1 356.426 1.898 50 0 FDAAMO CSCCC(=O)N1CCC2(CC[NH+](Cc3cnc[nH]3)CC2)[C@H](CO)C1 ZINC000097784868 209196659 /nfs/dbraw/zinc/19/66/59/209196659.db2.gz POMGQMGKJKZSAA-HNNXBMFYSA-N 1 1 366.531 1.586 50 0 FDAAMO CC[N@H+]1CC[C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000097515096 209183574 /nfs/dbraw/zinc/18/35/74/209183574.db2.gz KNSRJKIWQRHHKV-HNNXBMFYSA-N 1 1 365.499 1.298 50 0 FDAAMO CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000097166165 209174521 /nfs/dbraw/zinc/17/45/21/209174521.db2.gz WGDWOOCHMHXBGB-KBPBESRZSA-N 1 1 356.536 1.944 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096343529 209151181 /nfs/dbraw/zinc/15/11/81/209151181.db2.gz QSHDOFBECMHGOI-RDTXWAMCSA-N 1 1 354.454 1.846 50 0 FDAAMO C[N@H+]1CCCN(Cc2nc(-c3c[nH]c4ccccc34)nn2CCO)CC1 ZINC000096161492 209127528 /nfs/dbraw/zinc/12/75/28/209127528.db2.gz PXNCAEXTFNBSEZ-UHFFFAOYSA-N 1 1 354.458 1.556 50 0 FDAAMO Cc1c(NC(=O)C[NH+](C)C)cccc1NC(=O)NCCc1ccnn1C ZINC000096132614 209117217 /nfs/dbraw/zinc/11/72/17/209117217.db2.gz ODAOPYOOQULVNE-UHFFFAOYSA-N 1 1 358.446 1.593 50 0 FDAAMO CNc1nc(N2CCC(CC(=O)NCc3c(C)nn(C)c3C)CC2)cc[nH+]1 ZINC000096124869 209116309 /nfs/dbraw/zinc/11/63/09/209116309.db2.gz AULDSHTWJZANBS-UHFFFAOYSA-N 1 1 371.489 1.792 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000002953461 206948776 /nfs/dbraw/zinc/94/87/76/206948776.db2.gz YMVSDCYKOJCDPH-HNNXBMFYSA-N 1 1 359.536 1.429 50 0 FDAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(S(=O)(=O)CCC)CC1 ZINC000004712017 207040316 /nfs/dbraw/zinc/04/03/16/207040316.db2.gz KOABVRYZQLOXKA-UHFFFAOYSA-N 1 1 361.552 1.676 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccc(CC)cc2)c(=O)[nH]c1=O ZINC000006787182 207165164 /nfs/dbraw/zinc/16/51/64/207165164.db2.gz UHCCKXUBCDFIFE-UHFFFAOYSA-N 1 1 358.442 1.406 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc(CC)cc2)c(=O)[nH]c1=O ZINC000006787182 207165171 /nfs/dbraw/zinc/16/51/71/207165171.db2.gz UHCCKXUBCDFIFE-UHFFFAOYSA-N 1 1 358.442 1.406 50 0 FDAAMO CN1CCC([N@@H+](C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000012387043 207368064 /nfs/dbraw/zinc/36/80/64/207368064.db2.gz JUTVNBVWGVMJSA-FQEVSTJZSA-N 1 1 351.535 1.946 50 0 FDAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cn1cnnn1 ZINC000012453464 207378908 /nfs/dbraw/zinc/37/89/08/207378908.db2.gz FFJYMOZVANZJLM-KRWDZBQOSA-N 1 1 374.464 1.615 50 0 FDAAMO Cc1[nH]c(C(=O)NCCC[NH+]2CCOCC2)c(C)c1C(=O)OC(C)C ZINC000027689335 207938167 /nfs/dbraw/zinc/93/81/67/207938167.db2.gz WZCUQSCSJGMGOP-UHFFFAOYSA-N 1 1 351.447 1.649 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)CSc2ccc(F)cc2)CC1 ZINC000032912921 208056550 /nfs/dbraw/zinc/05/65/50/208056550.db2.gz JWUAKCRATORPIK-INIZCTEOSA-N 1 1 365.474 1.683 50 0 FDAAMO O=S(=O)(c1cccc2nonc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000035900114 208137465 /nfs/dbraw/zinc/13/74/65/208137465.db2.gz IPAHAHVEDOOEEF-UHFFFAOYSA-N 1 1 350.444 1.862 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(CC(=O)NCc2ccccc2)no1 ZINC000036353110 208158480 /nfs/dbraw/zinc/15/84/80/208158480.db2.gz FVUYLOWDUWHADY-OAHLLOKOSA-N 1 1 371.441 1.143 50 0 FDAAMO CC[N@H+](CCO)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000039515322 208210156 /nfs/dbraw/zinc/21/01/56/208210156.db2.gz BXUDFRZHSHAWAC-QGZVFWFLSA-N 1 1 354.516 1.289 50 0 FDAAMO CC[N@@H+](CCO)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000039515322 208210162 /nfs/dbraw/zinc/21/01/62/208210162.db2.gz BXUDFRZHSHAWAC-QGZVFWFLSA-N 1 1 354.516 1.289 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@H](c2ccccc2)C1 ZINC000039982727 208215243 /nfs/dbraw/zinc/21/52/43/208215243.db2.gz WSMOGLNQGISVEO-IBGZPJMESA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@H](c2ccccc2)C1 ZINC000039982727 208215247 /nfs/dbraw/zinc/21/52/47/208215247.db2.gz WSMOGLNQGISVEO-IBGZPJMESA-N 1 1 362.433 1.912 50 0 FDAAMO CCc1ccccc1N1C[C@@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000040160351 208239177 /nfs/dbraw/zinc/23/91/77/208239177.db2.gz FYCLKSRKKVTWTP-KRWDZBQOSA-N 1 1 359.470 1.440 50 0 FDAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140993 208360886 /nfs/dbraw/zinc/36/08/86/208360886.db2.gz FOGANUJLQRYXCD-UHFFFAOYSA-N 1 1 373.906 1.427 50 0 FDAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3ccc(=O)[nH]c3=O)cc2)C1 ZINC000046934502 208371350 /nfs/dbraw/zinc/37/13/50/208371350.db2.gz OESHYVSHWJIJMS-CQSZACIVSA-N 1 1 356.426 1.407 50 0 FDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000019782389 220297281 /nfs/dbraw/zinc/29/72/81/220297281.db2.gz RHLJXDWWQWPHFX-CYBMUJFWSA-N 1 1 370.236 1.823 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCN(c3cn[nH]c(=O)c3)CC2)[NH+](C)C)c1 ZINC000065385694 208670943 /nfs/dbraw/zinc/67/09/43/208670943.db2.gz XVVXGXODIFPWEN-GOSISDBHSA-N 1 1 355.442 1.030 50 0 FDAAMO Cc1cccn2c(C[N@H+](C)C[C@H]3CCCO3)c(C(=O)N3CCOCC3)nc12 ZINC000071754708 208774491 /nfs/dbraw/zinc/77/44/91/208774491.db2.gz JPTATYJEGXMKDV-MRXNPFEDSA-N 1 1 372.469 1.726 50 0 FDAAMO Cc1cccn2c(C[N@@H+](C)C[C@H]3CCCO3)c(C(=O)N3CCOCC3)nc12 ZINC000071754708 208774497 /nfs/dbraw/zinc/77/44/97/208774497.db2.gz JPTATYJEGXMKDV-MRXNPFEDSA-N 1 1 372.469 1.726 50 0 FDAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071404152 208763700 /nfs/dbraw/zinc/76/37/00/208763700.db2.gz DEQCPZOZXWVQGM-CQSZACIVSA-N 1 1 359.474 1.015 50 0 FDAAMO O=C(CCn1cnc2ccccc21)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072472827 208870335 /nfs/dbraw/zinc/87/03/35/208870335.db2.gz RMTSTPMBNJMRST-QGZVFWFLSA-N 1 1 356.470 1.874 50 0 FDAAMO C[C@@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)n1cncn1 ZINC000091893227 209002640 /nfs/dbraw/zinc/00/26/40/209002640.db2.gz GGXZQQVNCULOLV-AWEZNQCLSA-N 1 1 357.462 1.500 50 0 FDAAMO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1 ZINC000096007899 209095405 /nfs/dbraw/zinc/09/54/05/209095405.db2.gz RXUKZBDGEKHSMX-YWZLYKJASA-N 1 1 373.453 1.650 50 0 FDAAMO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091952037 209008009 /nfs/dbraw/zinc/00/80/09/209008009.db2.gz CELDOJDEQRFXND-UHFFFAOYSA-N 1 1 361.471 1.114 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000092066129 209016447 /nfs/dbraw/zinc/01/64/47/209016447.db2.gz CNOPSUVUXKESHY-INIZCTEOSA-N 1 1 357.502 1.638 50 0 FDAAMO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3nc4ccccc4n3C)C[C@@H]2C1 ZINC000092066022 209016660 /nfs/dbraw/zinc/01/66/60/209016660.db2.gz HMMISMFGJWBCAC-FOIQADDNSA-N 1 1 371.485 1.514 50 0 FDAAMO CN(C)C(=O)N1CC[C@]2(O)CC[N@@H+](Cc3nc4ccccc4n3C)C[C@@H]2C1 ZINC000092066022 209016664 /nfs/dbraw/zinc/01/66/64/209016664.db2.gz HMMISMFGJWBCAC-FOIQADDNSA-N 1 1 371.485 1.514 50 0 FDAAMO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000095358234 209025747 /nfs/dbraw/zinc/02/57/47/209025747.db2.gz TVFQQCNUBMNDEK-HNNXBMFYSA-N 1 1 367.457 1.736 50 0 FDAAMO CCNC(=O)N1CCC(NC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095361859 209028870 /nfs/dbraw/zinc/02/88/70/209028870.db2.gz XUAWOPWDVIWSIP-MRXNPFEDSA-N 1 1 350.438 1.739 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2oc(C)nc2C)C[N@H+]1CC1CCCC1 ZINC000095368988 209032661 /nfs/dbraw/zinc/03/26/61/209032661.db2.gz YJRQFKKRPIUEGK-CVEARBPZSA-N 1 1 362.474 1.790 50 0 FDAAMO Cc1cc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)cc(S(N)(=O)=O)c1C ZINC000095377233 209038648 /nfs/dbraw/zinc/03/86/48/209038648.db2.gz HTXGQCFAQQXNIX-CYBMUJFWSA-N 1 1 365.499 1.650 50 0 FDAAMO Cc1nccn1CC[N@H+]1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000095383944 209043109 /nfs/dbraw/zinc/04/31/09/209043109.db2.gz FVBSXIRMPGLKRZ-UYAOXDASSA-N 1 1 360.502 1.667 50 0 FDAAMO COCC(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000095391882 209047295 /nfs/dbraw/zinc/04/72/95/209047295.db2.gz WRDYJTXIIKGUHB-GOSISDBHSA-N 1 1 359.470 1.387 50 0 FDAAMO COCC(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000095391882 209047297 /nfs/dbraw/zinc/04/72/97/209047297.db2.gz WRDYJTXIIKGUHB-GOSISDBHSA-N 1 1 359.470 1.387 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H](c1cccnc1)[NH+]1CCCC1)C2 ZINC000095499315 209061785 /nfs/dbraw/zinc/06/17/85/209061785.db2.gz ZBFLRNWUELWELC-KRWDZBQOSA-N 1 1 353.426 1.163 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccsc1)CC2 ZINC000095503921 209063303 /nfs/dbraw/zinc/06/33/03/209063303.db2.gz UTMYJBWJDDRMKS-UHFFFAOYSA-N 1 1 360.483 1.994 50 0 FDAAMO CCC[C@]1(CO)CCCN(c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)C1 ZINC000091780004 132203800 /nfs/dbraw/zinc/20/38/00/132203800.db2.gz FDGYLJCLKORMAG-FQEVSTJZSA-N 1 1 360.502 1.848 50 0 FDAAMO Nc1cc[nH+]c(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)n1 ZINC000092028667 132205848 /nfs/dbraw/zinc/20/58/48/132205848.db2.gz PXQJIXSCYICSEX-UHFFFAOYSA-N 1 1 366.433 1.009 50 0 FDAAMO CNc1ccnc(N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)n1 ZINC000095371390 132208729 /nfs/dbraw/zinc/20/87/29/132208729.db2.gz XKLNWQKCWKNUSR-CQSZACIVSA-N 1 1 367.461 1.584 50 0 FDAAMO CN(C)c1cncc(N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000095387663 132210145 /nfs/dbraw/zinc/21/01/45/132210145.db2.gz VIXCWRWPZDMEBM-INIZCTEOSA-N 1 1 372.517 1.456 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)c1cc(N2CCC(O)CC2)ncn1 ZINC000095525579 132214635 /nfs/dbraw/zinc/21/46/35/132214635.db2.gz CVALQSJPEBCABV-GOSISDBHSA-N 1 1 367.497 1.931 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(c3ncc(C)c(N)n3)C[C@@H]2CCO)c1 ZINC000106976458 132240549 /nfs/dbraw/zinc/24/05/49/132240549.db2.gz RKCVRDOZCXWUSR-INIZCTEOSA-N 1 1 357.458 1.449 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3ncc(C)c(N)n3)C[C@@H]2CCO)c1 ZINC000106976458 132240550 /nfs/dbraw/zinc/24/05/50/132240550.db2.gz RKCVRDOZCXWUSR-INIZCTEOSA-N 1 1 357.458 1.449 50 0 FDAAMO O[C@H]1C[C@@H](c2cc(N3CC[NH+](CCOc4ccccc4)CC3)ncn2)C1 ZINC000244874478 132291411 /nfs/dbraw/zinc/29/14/11/132291411.db2.gz XBZDBEBKMLRLOK-CALCHBBNSA-N 1 1 354.454 1.916 50 0 FDAAMO Cc1nc([C@H]2C[C@@H](Nc3nc(N4CCC(O)CC4)cc[nH+]3)C2)cc(=O)[nH]1 ZINC000253535488 132293819 /nfs/dbraw/zinc/29/38/19/132293819.db2.gz VWDSTKLBGMGZBE-BETUJISGSA-N 1 1 356.430 1.600 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CCN(c2cnccn2)CC1 ZINC000299758390 132298003 /nfs/dbraw/zinc/29/80/03/132298003.db2.gz PHABTJCHZGEQAT-SFHVURJKSA-N 1 1 351.454 1.618 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CCN(c2cnccn2)CC1 ZINC000299758390 132298005 /nfs/dbraw/zinc/29/80/05/132298005.db2.gz PHABTJCHZGEQAT-SFHVURJKSA-N 1 1 351.454 1.618 50 0 FDAAMO Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 ZINC000071419194 136139118 /nfs/dbraw/zinc/13/91/18/136139118.db2.gz CCEUMUADRGITFV-CQSZACIVSA-N 1 1 358.490 1.327 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 ZINC000071419194 136139119 /nfs/dbraw/zinc/13/91/19/136139119.db2.gz CCEUMUADRGITFV-CQSZACIVSA-N 1 1 358.490 1.327 50 0 FDAAMO Nc1nc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cc[nH+]1 ZINC000071764958 136141004 /nfs/dbraw/zinc/14/10/04/136141004.db2.gz HWULFXZKYJYSHZ-UHFFFAOYSA-N 1 1 351.414 1.376 50 0 FDAAMO CNC(=O)C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072135540 136142412 /nfs/dbraw/zinc/14/24/12/136142412.db2.gz ZJTSRKBDRYYLIH-QGZVFWFLSA-N 1 1 350.894 1.672 50 0 FDAAMO CNC(=O)C[N@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072135540 136142413 /nfs/dbraw/zinc/14/24/13/136142413.db2.gz ZJTSRKBDRYYLIH-QGZVFWFLSA-N 1 1 350.894 1.672 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)CC[N@@H+](Cc1c[nH]cn1)CC2 ZINC000072420972 136146135 /nfs/dbraw/zinc/14/61/35/136146135.db2.gz MUHZMDVKEFQYJG-OAHLLOKOSA-N 1 1 356.474 1.318 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)CC[N@H+](Cc1cnc[nH]1)CC2 ZINC000072420972 136146136 /nfs/dbraw/zinc/14/61/36/136146136.db2.gz MUHZMDVKEFQYJG-OAHLLOKOSA-N 1 1 356.474 1.318 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)CC[N@@H+](Cc1cnc[nH]1)CC2 ZINC000072420972 136146137 /nfs/dbraw/zinc/14/61/37/136146137.db2.gz MUHZMDVKEFQYJG-OAHLLOKOSA-N 1 1 356.474 1.318 50 0 FDAAMO Nc1nc2n[nH]cc2c(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)n1 ZINC000072454768 136148504 /nfs/dbraw/zinc/14/85/04/136148504.db2.gz STVTZIRJRKGMAG-NSHDSACASA-N 1 1 359.459 1.070 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C[N@@H+]1C ZINC000095521340 209073717 /nfs/dbraw/zinc/07/37/17/209073717.db2.gz XVKNELZMYDAMTD-GUYCJALGSA-N 1 1 370.453 1.199 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(=O)[nH]c3ccccc32)C[N@H+]1C ZINC000095521340 209073720 /nfs/dbraw/zinc/07/37/20/209073720.db2.gz XVKNELZMYDAMTD-GUYCJALGSA-N 1 1 370.453 1.199 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)[NH+](C)C ZINC000095523278 209073753 /nfs/dbraw/zinc/07/37/53/209073753.db2.gz KMBPLRQCXKTBQS-SFHVURJKSA-N 1 1 354.454 1.910 50 0 FDAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+]1CCn1cnnc1 ZINC000095523479 209074471 /nfs/dbraw/zinc/07/44/71/209074471.db2.gz XIQIBTKMHAPZRI-KRWDZBQOSA-N 1 1 351.414 1.567 50 0 FDAAMO CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000247296786 258398455 /nfs/dbraw/zinc/39/84/55/258398455.db2.gz LDEFACIDGNHNHM-RHSMWYFYSA-N 1 1 367.515 1.584 50 0 FDAAMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329015599 259072681 /nfs/dbraw/zinc/07/26/81/259072681.db2.gz JXBVCHMFABBVJE-LSDHHAIUSA-N 1 1 374.407 1.536 50 0 FDAAMO CCn1ccnc1CN1CC[N@H+](Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000019774249 263376468 /nfs/dbraw/zinc/37/64/68/263376468.db2.gz CBSDUGUTGCIOHQ-SFHVURJKSA-N 1 1 358.486 1.980 50 0 FDAAMO CCn1ccnc1CN1CC[N@@H+](Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000019774249 263376471 /nfs/dbraw/zinc/37/64/71/263376471.db2.gz CBSDUGUTGCIOHQ-SFHVURJKSA-N 1 1 358.486 1.980 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)NCCCN1CCCC1=O ZINC000426633790 263648377 /nfs/dbraw/zinc/64/83/77/263648377.db2.gz FOBUGZIVXLXVAH-GOSISDBHSA-N 1 1 358.486 1.697 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC ZINC000000601298 518216827 /nfs/dbraw/zinc/21/68/27/518216827.db2.gz UNRHXEPDKXPRTM-CYBMUJFWSA-N 1 1 354.472 1.703 50 0 in-man FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC ZINC000000601298 518216829 /nfs/dbraw/zinc/21/68/29/518216829.db2.gz UNRHXEPDKXPRTM-CYBMUJFWSA-N 1 1 354.472 1.703 50 0 in-man FDAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000778562 518218665 /nfs/dbraw/zinc/21/86/65/518218665.db2.gz DIWKTRPJGHVDAL-UHFFFAOYSA-N 1 1 367.471 1.132 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)[nH+]1 ZINC000006947305 518394854 /nfs/dbraw/zinc/39/48/54/518394854.db2.gz KTECBKKEFZBFTI-UHFFFAOYSA-N 1 1 364.405 1.335 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000007991330 518449039 /nfs/dbraw/zinc/44/90/39/518449039.db2.gz ZSULKJWFWFQWJD-HZPDHXFCSA-N 1 1 359.536 1.429 50 0 FDAAMO O=C(Cn1ncc(=O)c2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012891170 518639906 /nfs/dbraw/zinc/63/99/06/518639906.db2.gz XVHZNTXRYFQZAL-QGZVFWFLSA-N 1 1 366.421 1.943 50 0 FDAAMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000014198335 518682610 /nfs/dbraw/zinc/68/26/10/518682610.db2.gz MUAREIVTPYGOBR-CYBMUJFWSA-N 1 1 365.499 1.876 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc32)C[C@H](C)O1 ZINC000014334565 518689989 /nfs/dbraw/zinc/68/99/89/518689989.db2.gz DSZLUBUDVRZMAC-BETUJISGSA-N 1 1 358.442 1.541 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc32)C[C@H](C)O1 ZINC000014334565 518689998 /nfs/dbraw/zinc/68/99/98/518689998.db2.gz DSZLUBUDVRZMAC-BETUJISGSA-N 1 1 358.442 1.541 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNc2nc3nonc3nc2N2CCCC2)C1 ZINC000015076112 518706307 /nfs/dbraw/zinc/70/63/07/518706307.db2.gz ZXRMAZYUKUVNRO-CYBMUJFWSA-N 1 1 361.450 1.383 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3cnc(C)cn3)C2=O)c1 ZINC000015061927 518707515 /nfs/dbraw/zinc/70/75/15/518707515.db2.gz UCVJGBQFFZATPC-FQEVSTJZSA-N 1 1 354.454 1.737 50 0 FDAAMO CC(C)C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000016021781 518741595 /nfs/dbraw/zinc/74/15/95/518741595.db2.gz XEPMBUIGQIHSGV-OTWHNJEPSA-N 1 1 373.497 1.527 50 0 FDAAMO COCCCNC(=O)c1nn(C)c2c1C[N@H+](Cc1cccc(OC)c1)CC2 ZINC000019112020 518802227 /nfs/dbraw/zinc/80/22/27/518802227.db2.gz XJVUHQLWWQJFCB-UHFFFAOYSA-N 1 1 372.469 1.753 50 0 FDAAMO COCCCNC(=O)c1nn(C)c2c1C[N@@H+](Cc1cccc(OC)c1)CC2 ZINC000019112020 518802231 /nfs/dbraw/zinc/80/22/31/518802231.db2.gz XJVUHQLWWQJFCB-UHFFFAOYSA-N 1 1 372.469 1.753 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(I)cc1 ZINC000019537215 518816744 /nfs/dbraw/zinc/81/67/44/518816744.db2.gz DJLVOJVBWHCXCH-UHFFFAOYSA-N 1 1 374.222 1.743 50 0 FDAAMO CCC(N[C@H]1CCCC[C@@H]1[NH3+])=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020267177 518846879 /nfs/dbraw/zinc/84/68/79/518846879.db2.gz MBHCWENHJMABNB-KAQDSQKISA-N 1 1 362.474 1.921 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000020500261 518851495 /nfs/dbraw/zinc/85/14/95/518851495.db2.gz AGPKCYDSTRJIEB-CYBMUJFWSA-N 1 1 373.906 1.659 50 0 FDAAMO O[C@H]1C[N@@H+](CCCC(F)(F)F)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020906138 518861607 /nfs/dbraw/zinc/86/16/07/518861607.db2.gz PXWJLTRVWRQGKL-GJZGRUSLSA-N 1 1 358.408 1.591 50 0 FDAAMO CCOC(=O)/C=C/c1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000022057937 518890502 /nfs/dbraw/zinc/89/05/02/518890502.db2.gz KLCYHUANOKXENR-VMPITWQZSA-N 1 1 359.426 1.399 50 0 FDAAMO O=C(N1CCOCC1)N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000022548310 518903224 /nfs/dbraw/zinc/90/32/24/518903224.db2.gz KRHHLFGVXMKTLD-UHFFFAOYSA-N 1 1 355.442 1.442 50 0 FDAAMO CC(C)C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000022611736 518903987 /nfs/dbraw/zinc/90/39/87/518903987.db2.gz PHEBFIQEBQTODG-CQSZACIVSA-N 1 1 358.442 1.400 50 0 FDAAMO C[C@@]1(C2CC2)NC(=O)N(CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000022777050 518910720 /nfs/dbraw/zinc/91/07/20/518910720.db2.gz KEPQZKYCKMIANF-FERLCFGISA-N 1 1 368.481 1.995 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2sccn2c1=O ZINC000022852889 518918193 /nfs/dbraw/zinc/91/81/93/518918193.db2.gz GXDOUWCAUDZPGY-NSHDSACASA-N 1 1 350.444 1.456 50 0 FDAAMO Cc1nc(-n2cccn2)cc(NCCNS(=O)(=O)Cc2ccccc2)[nH+]1 ZINC000023144526 518933469 /nfs/dbraw/zinc/93/34/69/518933469.db2.gz GYRYFOAKPCDADJ-UHFFFAOYSA-N 1 1 372.454 1.502 50 0 FDAAMO O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000023192114 518935683 /nfs/dbraw/zinc/93/56/83/518935683.db2.gz SZMAJDXVESZAHP-MRXNPFEDSA-N 1 1 370.453 1.110 50 0 FDAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nc4c(c(=O)[nH]3)CCC4)c2)C1 ZINC000023369315 518949209 /nfs/dbraw/zinc/94/92/09/518949209.db2.gz UGTYMCXGGSANLQ-INIZCTEOSA-N 1 1 352.438 1.636 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000025302617 519052629 /nfs/dbraw/zinc/05/26/29/519052629.db2.gz ICQYWSZYCNTWAG-SFHVURJKSA-N 1 1 357.454 1.648 50 0 FDAAMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c(OC)c1 ZINC000040013605 519638711 /nfs/dbraw/zinc/63/87/11/519638711.db2.gz JWMHKTRBDKPMFD-CRAIPNDOSA-N 1 1 350.459 1.534 50 0 FDAAMO O=C(C1CC[NH+](Cc2nc(-c3ccncc3)no2)CC1)N1CCOCC1 ZINC000040926955 519644907 /nfs/dbraw/zinc/64/49/07/519644907.db2.gz WUQAIMPSOFQZCK-UHFFFAOYSA-N 1 1 357.414 1.202 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCC(O)CC3)nc2)C1 ZINC000020200952 519731054 /nfs/dbraw/zinc/73/10/54/519731054.db2.gz GDQUADRQHLJDAY-INIZCTEOSA-N 1 1 360.502 1.750 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)CSc3n[nH]c(C)n3)cc2C1 ZINC000082092615 519855023 /nfs/dbraw/zinc/85/50/23/519855023.db2.gz FLMHTPWURWLQOX-UHFFFAOYSA-N 1 1 363.491 1.334 50 0 FDAAMO CCC[N@@H+]1CCCn2nc(CNC(=O)CSc3nnc(C)[nH]3)cc2C1 ZINC000082092615 519855025 /nfs/dbraw/zinc/85/50/25/519855025.db2.gz FLMHTPWURWLQOX-UHFFFAOYSA-N 1 1 363.491 1.334 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)CSc3nnc(C)[nH]3)cc2C1 ZINC000082092615 519855026 /nfs/dbraw/zinc/85/50/26/519855026.db2.gz FLMHTPWURWLQOX-UHFFFAOYSA-N 1 1 363.491 1.334 50 0 FDAAMO CCCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136754 520214086 /nfs/dbraw/zinc/21/40/86/520214086.db2.gz MFAIBBGLGIBSKH-INIZCTEOSA-N 1 1 367.490 1.568 50 0 FDAAMO CCNc1nc(C)c(C(=O)N[C@H]2C[N@@H+](CCCO)C[C@@H]2C2CC2)s1 ZINC000091707388 520353859 /nfs/dbraw/zinc/35/38/59/520353859.db2.gz DZTLBKLDTPKIEF-KGLIPLIRSA-N 1 1 352.504 1.706 50 0 FDAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CNC(C)=O)n3CC2)ccc1OC ZINC000020599692 520699903 /nfs/dbraw/zinc/69/99/03/520699903.db2.gz YQEPXPBGQNWWNC-UHFFFAOYSA-N 1 1 373.457 1.380 50 0 FDAAMO CCCCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000019831260 520883881 /nfs/dbraw/zinc/88/38/81/520883881.db2.gz FNXFQTUFWQVOOA-UHFFFAOYSA-N 1 1 363.458 1.643 50 0 FDAAMO CCN1CC[NH+](C[C@H](O)COCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000019790812 521686304 /nfs/dbraw/zinc/68/63/04/521686304.db2.gz YPYDJTIBVCWXPH-INIZCTEOSA-N 1 1 368.474 1.227 50 0 FDAAMO CN(C)[C@H](CNC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1cccs1 ZINC000244794926 522084594 /nfs/dbraw/zinc/08/45/94/522084594.db2.gz QWNGHEWRIAGLHA-VNHYZAJKSA-N 1 1 362.503 1.815 50 0 FDAAMO Cc1cccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071404022 522111599 /nfs/dbraw/zinc/11/15/99/522111599.db2.gz NYIKQWGCKYZZGV-MRXNPFEDSA-N 1 1 370.497 1.985 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCO[C@@H](Cc2cccc3ccccc32)C1 ZINC000071745541 522119217 /nfs/dbraw/zinc/11/92/17/522119217.db2.gz PKRNBSGCFIIZAW-KRWDZBQOSA-N 1 1 365.433 1.968 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000071751674 522125060 /nfs/dbraw/zinc/12/50/60/522125060.db2.gz KXQIDLQGPNXKTO-HNNXBMFYSA-N 1 1 356.470 1.677 50 0 FDAAMO Cc1cccn2c(CN(C)[C@H]3CC[N@@H+](C)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071754622 522128173 /nfs/dbraw/zinc/12/81/73/522128173.db2.gz BWPZYTVJGNTAIF-INIZCTEOSA-N 1 1 371.485 1.251 50 0 FDAAMO CCn1ncnc1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071767932 522129221 /nfs/dbraw/zinc/12/92/21/522129221.db2.gz NHCCUMQHOKGPLQ-KRWDZBQOSA-N 1 1 374.533 1.597 50 0 FDAAMO CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071776687 522132042 /nfs/dbraw/zinc/13/20/42/522132042.db2.gz QNKIPWZZAOGPCT-HXUWFJFHSA-N 1 1 373.541 1.856 50 0 FDAAMO O=C(NCc1cccnc1)[C@H]1CN(c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000072128916 522158350 /nfs/dbraw/zinc/15/83/50/522158350.db2.gz FRAXKQIIZOFHRL-MRXNPFEDSA-N 1 1 364.409 1.226 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000072134359 522164671 /nfs/dbraw/zinc/16/46/71/522164671.db2.gz DKYNPSRSUZZEKT-UHFFFAOYSA-N 1 1 356.470 1.136 50 0 FDAAMO CCN(CCO)C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072144409 522169355 /nfs/dbraw/zinc/16/93/55/522169355.db2.gz MTLFGVHDQBFAEN-LJQANCHMSA-N 1 1 369.465 1.371 50 0 FDAAMO CCN(CCO)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072144409 522169363 /nfs/dbraw/zinc/16/93/63/522169363.db2.gz MTLFGVHDQBFAEN-LJQANCHMSA-N 1 1 369.465 1.371 50 0 FDAAMO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1cn2c(n1)CNCC2 ZINC000072144576 522171008 /nfs/dbraw/zinc/17/10/08/522171008.db2.gz RWVGPSFBKCMXCQ-QGZVFWFLSA-N 1 1 354.458 1.338 50 0 FDAAMO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCN2C(=O)c2cccc(N(C)C)c2)cn1 ZINC000072149716 522176098 /nfs/dbraw/zinc/17/60/98/522176098.db2.gz UHTYMYXKLUJBJG-GOSISDBHSA-N 1 1 367.453 1.509 50 0 FDAAMO COCCC[N@H+](Cc1cc(=O)n2cc(C)sc2n1)C1CCN(C)CC1 ZINC000072151964 522177368 /nfs/dbraw/zinc/17/73/68/522177368.db2.gz BLRWLQOSRLOZLF-UHFFFAOYSA-N 1 1 364.515 1.997 50 0 FDAAMO COCCC[N@@H+](Cc1cc(=O)n2cc(C)sc2n1)C1CCN(C)CC1 ZINC000072151964 522177374 /nfs/dbraw/zinc/17/73/74/522177374.db2.gz BLRWLQOSRLOZLF-UHFFFAOYSA-N 1 1 364.515 1.997 50 0 FDAAMO CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC000072151701 522177541 /nfs/dbraw/zinc/17/75/41/522177541.db2.gz NTHGDHPYMCJSSX-OAHLLOKOSA-N 1 1 366.469 1.441 50 0 FDAAMO Cc1ccc2[nH]cc(C(=O)N3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)c(=O)c2c1 ZINC000072151671 522178184 /nfs/dbraw/zinc/17/81/84/522178184.db2.gz CWEVRAMAIAHRAK-YLJYHZDGSA-N 1 1 355.438 1.413 50 0 FDAAMO CN(C[C@H](O)CO)C(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000072161784 522189726 /nfs/dbraw/zinc/18/97/26/522189726.db2.gz YRDIGWIHRGPJMR-FQEVSTJZSA-N 1 1 368.477 1.468 50 0 FDAAMO CC(C)[C@@H](CNC(=O)c1cccc(-n2cncn2)c1)N1CC[NH+](C)CC1 ZINC000072286026 522204593 /nfs/dbraw/zinc/20/45/93/522204593.db2.gz GKHGECDDJVUIPN-GOSISDBHSA-N 1 1 356.474 1.269 50 0 FDAAMO C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000058185381 522218097 /nfs/dbraw/zinc/21/80/97/522218097.db2.gz AONBUQJSBSLUFW-UZLBHIALSA-N 1 1 369.421 1.466 50 0 FDAAMO NS(=O)(=O)CCCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072410893 522242852 /nfs/dbraw/zinc/24/28/52/522242852.db2.gz QNFYKGXPWONHHZ-UHFFFAOYSA-N 1 1 365.499 1.104 50 0 FDAAMO C[C@@H](CN(C)c1nc(-c2ccncc2)nc2c1cnn2C)[NH+]1CCOCC1 ZINC000072412272 522244915 /nfs/dbraw/zinc/24/49/15/522244915.db2.gz ZIWAKSQWIZEYTM-AWEZNQCLSA-N 1 1 367.457 1.582 50 0 FDAAMO COCC[N@@H+](C)CCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000058370305 522249735 /nfs/dbraw/zinc/24/97/35/522249735.db2.gz BYALFMYHJDDNBM-UHFFFAOYSA-N 1 1 363.502 1.798 50 0 FDAAMO COc1ccc(C(=O)NCCNc2cc(-n3cc[nH+]c3C)ncn2)cc1 ZINC000072434175 522272675 /nfs/dbraw/zinc/27/26/75/522272675.db2.gz LMWPDJYIYNQTKA-UHFFFAOYSA-N 1 1 352.398 1.821 50 0 FDAAMO Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC000072435312 522275571 /nfs/dbraw/zinc/27/55/71/522275571.db2.gz NBWSAGOWVOQXTM-UHFFFAOYSA-N 1 1 358.490 1.153 50 0 FDAAMO O=C(c1cccc(CO)n1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072470140 522292589 /nfs/dbraw/zinc/29/25/89/522292589.db2.gz RUMGFIJEYNPZGU-UHFFFAOYSA-N 1 1 351.450 1.889 50 0 FDAAMO COC[C@H]1CCN(c2ncnc3c2CC[N@@H+](Cc2cncn2C)CC3)C1 ZINC000072477556 522299917 /nfs/dbraw/zinc/29/99/17/522299917.db2.gz VYEYPNNMQSOHKH-HNNXBMFYSA-N 1 1 356.474 1.284 50 0 FDAAMO [NH3+]C1(C(=O)N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000072479049 522302178 /nfs/dbraw/zinc/30/21/78/522302178.db2.gz BILOCLTVTSJILW-ZTFGCOKTSA-N 1 1 355.438 1.295 50 0 FDAAMO COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)NC2CCN(C(C)=O)CC2)cc1 ZINC000059406129 522339094 /nfs/dbraw/zinc/33/90/94/522339094.db2.gz ALSGEHGDGKOFHF-LJQANCHMSA-N 1 1 373.497 1.829 50 0 FDAAMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(C)n1C ZINC000064923187 522764186 /nfs/dbraw/zinc/76/41/86/522764186.db2.gz AHCDVMCAOUCWBB-CYBMUJFWSA-N 1 1 371.503 1.520 50 0 FDAAMO CCOc1ccccc1N1CCN(c2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065502907 522830472 /nfs/dbraw/zinc/83/04/72/522830472.db2.gz VITUIRNAGKIXAF-INIZCTEOSA-N 1 1 369.469 1.773 50 0 FDAAMO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CC[NH+](C2CC2)CC1 ZINC000065609416 522849644 /nfs/dbraw/zinc/84/96/44/522849644.db2.gz RASUCGYGAYXNNV-UHFFFAOYSA-N 1 1 351.397 1.781 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051098888 522970890 /nfs/dbraw/zinc/97/08/90/522970890.db2.gz GHFDVABDDYBCMZ-GFCCVEGCSA-N 1 1 366.487 1.485 50 0 FDAAMO c1ccc(-n2nnnc2N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000052720983 523255916 /nfs/dbraw/zinc/25/59/16/523255916.db2.gz IWBLDBKBPDDYSC-UHFFFAOYSA-N 1 1 362.437 1.919 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1)NC1CC1 ZINC000077287926 523287382 /nfs/dbraw/zinc/28/73/82/523287382.db2.gz QLTACDVVXWGWRV-OAQYLSRUSA-N 1 1 370.497 1.607 50 0 FDAAMO O=C(c1cnc2ccccn2c1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077437081 523335070 /nfs/dbraw/zinc/33/50/70/523335070.db2.gz XTKWHAPOPIPNKT-OAHLLOKOSA-N 1 1 356.426 1.021 50 0 FDAAMO Cc1ccccc1C(=O)NCCNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC000067612891 523516538 /nfs/dbraw/zinc/51/65/38/523516538.db2.gz CBLCQSSBXOMWBP-UHFFFAOYSA-N 1 1 355.442 1.772 50 0 FDAAMO COc1cccc(-c2cc(C(=O)N3CCN4CC[N@@H+](C)C[C@H]4C3)[nH]n2)c1 ZINC000067674576 523539194 /nfs/dbraw/zinc/53/91/94/523539194.db2.gz OICMLYOGJSLZKL-HNNXBMFYSA-N 1 1 355.442 1.157 50 0 FDAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)NCc2nnc3n2CCC3)[nH]n1 ZINC000067696498 523547502 /nfs/dbraw/zinc/54/75/02/523547502.db2.gz KFBXQZYZKQABLE-UHFFFAOYSA-N 1 1 354.418 1.246 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C)C2 ZINC000067805471 523588206 /nfs/dbraw/zinc/58/82/06/523588206.db2.gz LGBBBFCJNDTDBA-MRXNPFEDSA-N 1 1 359.474 1.116 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C)C2 ZINC000067805471 523588213 /nfs/dbraw/zinc/58/82/13/523588213.db2.gz LGBBBFCJNDTDBA-MRXNPFEDSA-N 1 1 359.474 1.116 50 0 FDAAMO CN1CCN(C(=O)c2ccnc(N3CCC[C@]4(CC[N@@H+](C)C4)C3)c2)CC1 ZINC000067819138 523595195 /nfs/dbraw/zinc/59/51/95/523595195.db2.gz GUQGXIGCQXOIBP-HXUWFJFHSA-N 1 1 357.502 1.391 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@@H+](C)CCc3cn[nH]c3)C2=O)c1 ZINC000067834188 523599301 /nfs/dbraw/zinc/59/93/01/523599301.db2.gz NXXMWEUYKYFDBZ-HXUWFJFHSA-N 1 1 356.470 1.746 50 0 FDAAMO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CCCN(C(=O)COC)CC3)cc2c1 ZINC000067842868 523606295 /nfs/dbraw/zinc/60/62/95/523606295.db2.gz PGPHDOZBFUMAFI-UHFFFAOYSA-N 1 1 373.453 1.608 50 0 FDAAMO CCC[N@H+]1CCCN(C(=O)c2cc(CN3CCC(O)CC3)on2)CC1 ZINC000067878673 523618184 /nfs/dbraw/zinc/61/81/84/523618184.db2.gz PIARHFPDZWHDPD-UHFFFAOYSA-N 1 1 350.463 1.189 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1CO ZINC000091364547 523619989 /nfs/dbraw/zinc/61/99/89/523619989.db2.gz SOKYZIHNNKDOEC-CHWSQXEVSA-N 1 1 358.841 1.738 50 0 FDAAMO Cn1nc2c(cc1=O)C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000078621792 523623778 /nfs/dbraw/zinc/62/37/78/523623778.db2.gz ASBSJZZIRUFUEA-UHFFFAOYSA-N 1 1 362.474 1.786 50 0 FDAAMO Cc1nn2cc(C[NH2+]C[C@@]3(O)CCCN(CC(C)(C)C)C3=O)nc2s1 ZINC000067948031 523645194 /nfs/dbraw/zinc/64/51/94/523645194.db2.gz BGNCKHUUIOHEKA-KRWDZBQOSA-N 1 1 365.503 1.588 50 0 FDAAMO C[NH+](C)Cc1cncc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 ZINC000067966194 523653378 /nfs/dbraw/zinc/65/33/78/523653378.db2.gz IWRIHPVKNPBYKW-JKSUJKDBSA-N 1 1 356.426 1.622 50 0 FDAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068200148 523726404 /nfs/dbraw/zinc/72/64/04/523726404.db2.gz KSTPICXUDWALEJ-GDBMZVCRSA-N 1 1 354.447 1.341 50 0 FDAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000068200148 523726412 /nfs/dbraw/zinc/72/64/12/523726412.db2.gz KSTPICXUDWALEJ-GDBMZVCRSA-N 1 1 354.447 1.341 50 0 FDAAMO CCc1oc(C(=O)NCCN2CCC[C@H](O)C2)cc1C[NH+](CC)CC ZINC000055098992 523746404 /nfs/dbraw/zinc/74/64/04/523746404.db2.gz RREQHGBGDQLRCG-INIZCTEOSA-N 1 1 351.491 1.870 50 0 FDAAMO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccn1 ZINC000091595856 523761040 /nfs/dbraw/zinc/76/10/40/523761040.db2.gz FMQRYNVGBWGPNG-CYGHRXIMSA-N 1 1 361.486 1.434 50 0 FDAAMO CC(=O)Nc1ccc(Cl)c(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000055413907 523810505 /nfs/dbraw/zinc/81/05/05/523810505.db2.gz IOOZYLDLHPPANC-GFCCVEGCSA-N 1 1 366.849 1.226 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4cccnc4)o3)C2)C1=O ZINC000091255210 523836696 /nfs/dbraw/zinc/83/66/96/523836696.db2.gz FICDOGZRNIHFLV-LJQANCHMSA-N 1 1 371.441 1.593 50 0 FDAAMO C[NH+]1CCN(C(=O)CCc2cc3n(n2)CCN(Cc2ccncc2)C3)CC1 ZINC000091655976 523872102 /nfs/dbraw/zinc/87/21/02/523872102.db2.gz LDABWZHMQBTAJI-UHFFFAOYSA-N 1 1 368.485 1.001 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000020727465 523897820 /nfs/dbraw/zinc/89/78/20/523897820.db2.gz DRVZGXOODZRWHW-UHFFFAOYSA-N 1 1 366.465 1.554 50 0 FDAAMO CN1CC[N@@H+](CCCn2ccnc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091350777 523898400 /nfs/dbraw/zinc/89/84/00/523898400.db2.gz GZJDPMLLHIICDG-FQEVSTJZSA-N 1 1 359.518 1.682 50 0 FDAAMO C[N@@H+]1CCN(CCCn2ccnc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091350777 523898407 /nfs/dbraw/zinc/89/84/07/523898407.db2.gz GZJDPMLLHIICDG-FQEVSTJZSA-N 1 1 359.518 1.682 50 0 FDAAMO C[N@H+]1CCN(CCCn2ccnc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091350777 523898414 /nfs/dbraw/zinc/89/84/14/523898414.db2.gz GZJDPMLLHIICDG-FQEVSTJZSA-N 1 1 359.518 1.682 50 0 FDAAMO Cc1cc(C)n(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c(=O)n1 ZINC000082091532 524208440 /nfs/dbraw/zinc/20/84/40/524208440.db2.gz IRMQUAWIFHADAQ-SFHVURJKSA-N 1 1 354.454 1.375 50 0 FDAAMO C[N@H+]1CCN(Cc2ccc(C(F)(F)F)nc2)C[C@]12CCNC(=O)CC2 ZINC000091306073 524689844 /nfs/dbraw/zinc/68/98/44/524689844.db2.gz RUKGGEQKDZUCIC-INIZCTEOSA-N 1 1 356.392 1.887 50 0 FDAAMO C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)C[C@@]12CCNC(=O)CC2 ZINC000091325479 524690808 /nfs/dbraw/zinc/69/08/08/524690808.db2.gz OCKUUYYMXMSWFU-GOSISDBHSA-N 1 1 360.414 1.234 50 0 FDAAMO O=C(CCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091380849 524696124 /nfs/dbraw/zinc/69/61/24/524696124.db2.gz DHVPLOFXDBNQJC-QFBILLFUSA-N 1 1 365.481 1.758 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]12CCNC(=O)CC2 ZINC000091462366 524710175 /nfs/dbraw/zinc/71/01/75/524710175.db2.gz UEMDIRCBRQQRGB-HXUWFJFHSA-N 1 1 357.454 1.438 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cnc3c(c2)CCCC3)C[C@@]12CCNC(=O)CC2 ZINC000091548687 524725426 /nfs/dbraw/zinc/72/54/26/524725426.db2.gz BETDLSWLVHPNTM-HXUWFJFHSA-N 1 1 356.470 1.387 50 0 FDAAMO NC(=O)c1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)n1 ZINC000091595897 524735568 /nfs/dbraw/zinc/73/55/68/524735568.db2.gz IBVDDVRUAKLWEG-DLBZAZTESA-N 1 1 369.469 1.698 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2)C[C@@H]1CO ZINC000091713818 524766023 /nfs/dbraw/zinc/76/60/23/524766023.db2.gz DGWDBEVZXCUTEK-QZTJIDSGSA-N 1 1 372.469 1.131 50 0 FDAAMO Cc1nn(C)cc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091724392 524767279 /nfs/dbraw/zinc/76/72/79/524767279.db2.gz QNBMGHYEHPSEBF-MRXNPFEDSA-N 1 1 373.501 1.277 50 0 FDAAMO Cc1ccc([C@@H](C(=O)N2CCN(CCn3cncn3)CC2)[NH+](C)C)cc1 ZINC000091769897 524778067 /nfs/dbraw/zinc/77/80/67/524778067.db2.gz ZFRAFLYZNFAVHE-SFHVURJKSA-N 1 1 356.474 1.034 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2c(C)cccc2OC)C[C@@H]1CO ZINC000092098805 524847067 /nfs/dbraw/zinc/84/70/67/524847067.db2.gz ANCRWVALJSYCEJ-HZPDHXFCSA-N 1 1 350.459 1.262 50 0 FDAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccncc1 ZINC000085432577 525172969 /nfs/dbraw/zinc/17/29/69/525172969.db2.gz HTUICLSSYIEBGY-MRXNPFEDSA-N 1 1 367.453 1.936 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000100747657 525216213 /nfs/dbraw/zinc/21/62/13/525216213.db2.gz SAPOOFFLLWATKE-MLHJIOFPSA-N 1 1 359.385 1.687 50 0 biogenic FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000100747657 525216220 /nfs/dbraw/zinc/21/62/20/525216220.db2.gz SAPOOFFLLWATKE-MLHJIOFPSA-N 1 1 359.385 1.687 50 0 biogenic FDAAMO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(=O)N1c1ccccc1 ZINC000245675791 525259346 /nfs/dbraw/zinc/25/93/46/525259346.db2.gz HEWLOBAUKYCMNA-ATZDWAIDSA-N 1 1 371.481 1.940 50 0 FDAAMO C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4nonc43)C[C@H]2CCO)CC1 ZINC000104384658 525409380 /nfs/dbraw/zinc/40/93/80/525409380.db2.gz ZRGHQSSSVFUGCU-QGZVFWFLSA-N 1 1 359.474 1.186 50 0 FDAAMO C[NH+]1CCC(N2CCN(Cc3cccc4nonc43)C[C@H]2CCO)CC1 ZINC000104384658 525409386 /nfs/dbraw/zinc/40/93/86/525409386.db2.gz ZRGHQSSSVFUGCU-QGZVFWFLSA-N 1 1 359.474 1.186 50 0 FDAAMO NC(=O)c1cc2c(nc1N1CC[N@@H+](Cc3ccccc3)C[C@H](O)C1)CCC2 ZINC000108264219 525943520 /nfs/dbraw/zinc/94/35/20/525943520.db2.gz MHWOJSRECRTYMD-KRWDZBQOSA-N 1 1 366.465 1.352 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(Cc3cn(C)nc3C)C[C@@H]2CCO)c1 ZINC000020542757 525944404 /nfs/dbraw/zinc/94/44/04/525944404.db2.gz JDFIQKKBIWVENK-IBGZPJMESA-N 1 1 358.486 1.806 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(Cc3cn(C)nc3C)C[C@@H]2CCO)c1 ZINC000020542757 525944413 /nfs/dbraw/zinc/94/44/13/525944413.db2.gz JDFIQKKBIWVENK-IBGZPJMESA-N 1 1 358.486 1.806 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N1C[C@@H]2CC[N@@H+](CCc3ccccc3)[C@@H]2C1 ZINC000082121966 526393943 /nfs/dbraw/zinc/39/39/43/526393943.db2.gz WSSKHWCDYCLPEP-PKOBYXMFSA-N 1 1 368.481 1.808 50 0 FDAAMO O=C(CCN1CCOCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091381345 526490196 /nfs/dbraw/zinc/49/01/96/526490196.db2.gz PNFXREFRCZEKFS-WOJBJXKFSA-N 1 1 357.498 1.832 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccoc3)CC2)C1)N1CCOCC1 ZINC000082126734 526538259 /nfs/dbraw/zinc/53/82/59/526538259.db2.gz YWUQDYOCJCWQEZ-SFHVURJKSA-N 1 1 361.486 1.815 50 0 FDAAMO Cc1oncc1S(=O)(=O)NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082108938 526860577 /nfs/dbraw/zinc/86/05/77/526860577.db2.gz SUHZIJLXPKWFHL-UHFFFAOYSA-N 1 1 367.475 1.520 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247745740 526986419 /nfs/dbraw/zinc/98/64/19/526986419.db2.gz PVFANNGMTOWGTE-BDXSIMOUSA-N 1 1 365.433 1.815 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247745740 526986424 /nfs/dbraw/zinc/98/64/24/526986424.db2.gz PVFANNGMTOWGTE-BDXSIMOUSA-N 1 1 365.433 1.815 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCc1cscn1 ZINC000020210087 527151414 /nfs/dbraw/zinc/15/14/14/527151414.db2.gz SKLVCPLRYOSDJI-KRWDZBQOSA-N 1 1 372.494 1.235 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCc1cscn1 ZINC000020210087 527151418 /nfs/dbraw/zinc/15/14/18/527151418.db2.gz SKLVCPLRYOSDJI-KRWDZBQOSA-N 1 1 372.494 1.235 50 0 FDAAMO O=S(=O)(c1c(F)cccc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000241719793 527264235 /nfs/dbraw/zinc/26/42/35/527264235.db2.gz QPQYYMCSZJEBON-CYBMUJFWSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1c(F)cccc1F)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000241719793 527264238 /nfs/dbraw/zinc/26/42/38/527264238.db2.gz QPQYYMCSZJEBON-CYBMUJFWSA-N 1 1 360.426 1.840 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cnc(N3CCN(C)CC3)nc2C)CC[N@H+]1C(C)C ZINC000091663242 535843125 /nfs/dbraw/zinc/84/31/25/535843125.db2.gz XLAYNUAXEDNKDV-QGZVFWFLSA-N 1 1 374.533 1.482 50 0 FDAAMO C[NH+]1CCN(c2nc3nccc(-c4ccc5c(c4)OCO5)c3c(=O)[nH]2)CC1 ZINC000061719726 536425444 /nfs/dbraw/zinc/42/54/44/536425444.db2.gz RVGQUISXVJCUMT-UHFFFAOYSA-N 1 1 365.393 1.466 50 0 FDAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cc(F)ccc1F ZINC000189096773 536997457 /nfs/dbraw/zinc/99/74/57/536997457.db2.gz BZXVJIJMPQCMRB-ZDUSSCGKSA-N 1 1 355.429 1.994 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)[C@@H](O)c3ccccc3Cl)CC2)CC1 ZINC000252502220 537250575 /nfs/dbraw/zinc/25/05/75/537250575.db2.gz UNSNUGWMTARNFE-INIZCTEOSA-N 1 1 351.878 1.517 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)c1ccc2cc[nH]c2c1 ZINC000257189688 537252804 /nfs/dbraw/zinc/25/28/04/537252804.db2.gz JTLFHCNYQXLMIH-QFBILLFUSA-N 1 1 350.422 1.786 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)c1ccc2cc[nH]c2c1 ZINC000257189688 537252806 /nfs/dbraw/zinc/25/28/06/537252806.db2.gz JTLFHCNYQXLMIH-QFBILLFUSA-N 1 1 350.422 1.786 50 0 FDAAMO CN1CCCNC(=O)C12CC[NH+](Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000215250674 537434722 /nfs/dbraw/zinc/43/47/22/537434722.db2.gz WRIPLEGNKSLFRE-UHFFFAOYSA-N 1 1 366.469 1.325 50 0 FDAAMO O=C([C@H]1CCOC1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000216079909 537445845 /nfs/dbraw/zinc/44/58/45/537445845.db2.gz HMQUCJADBGVRPP-IBGZPJMESA-N 1 1 357.498 1.832 50 0 FDAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cccc(OCCN3CCOCC3)c1)C2 ZINC000216260633 537447596 /nfs/dbraw/zinc/44/75/96/537447596.db2.gz QIIDRYODFKOMJP-VQTJNVASSA-N 1 1 359.514 1.924 50 0 FDAAMO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000216437081 537448892 /nfs/dbraw/zinc/44/88/92/537448892.db2.gz PFYPIDGMDVRGMS-UHFFFAOYSA-N 1 1 374.466 1.077 50 0 FDAAMO NS(=O)(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000216437081 537448898 /nfs/dbraw/zinc/44/88/98/537448898.db2.gz PFYPIDGMDVRGMS-UHFFFAOYSA-N 1 1 374.466 1.077 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000218893277 537467805 /nfs/dbraw/zinc/46/78/05/537467805.db2.gz DBQDSFULHHTWFT-UHFFFAOYSA-N 1 1 372.513 1.566 50 0 FDAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000219817555 537478464 /nfs/dbraw/zinc/47/84/64/537478464.db2.gz PBBZDOLJQCHPIK-GOSISDBHSA-N 1 1 366.465 1.789 50 0 FDAAMO Cc1cc(C)n(C2CN(C(=O)[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)C2)n1 ZINC000220430277 537490630 /nfs/dbraw/zinc/49/06/30/537490630.db2.gz HDGPRCHTIHOUHN-SFHVURJKSA-N 1 1 356.426 1.915 50 0 FDAAMO CC(C)NC(=O)CC[N@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000222306587 537504072 /nfs/dbraw/zinc/50/40/72/537504072.db2.gz MICHTYBSZRWHIJ-UHFFFAOYSA-N 1 1 355.442 1.448 50 0 FDAAMO CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCOCC1 ZINC000225462357 537548704 /nfs/dbraw/zinc/54/87/04/537548704.db2.gz DHTATQQFEKFZSJ-MJGOQNOKSA-N 1 1 369.550 1.741 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)CN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000244659815 537648782 /nfs/dbraw/zinc/64/87/82/537648782.db2.gz HJFNKCSUTLYZSF-OAHLLOKOSA-N 1 1 358.486 1.820 50 0 FDAAMO Cc1nc2ccccn2c1C[N@@H+](C)CCNc1cc([C@H]2CCOC2)ncn1 ZINC000426727542 538125977 /nfs/dbraw/zinc/12/59/77/538125977.db2.gz UJKBWXPKKQYYTM-INIZCTEOSA-N 1 1 366.469 2.481 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N(C)Cc1nc(-c2cccnc2)no1 ZINC000584891235 551565658 /nfs/dbraw/zinc/56/56/58/551565658.db2.gz AGAXUHUALLYKGA-GJZGRUSLSA-N 1 1 374.445 1.381 50 0 FDAAMO O=C(NCc1n[nH]c(C2CC[NH+](CCCO)CC2)n1)OCc1ccccc1 ZINC000585138570 551575050 /nfs/dbraw/zinc/57/50/50/551575050.db2.gz FGNYYEOGVOCRPK-UHFFFAOYSA-N 1 1 373.457 1.793 50 0 FDAAMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2ccc(C(N)=O)nc2)C1 ZINC000626441714 557083518 /nfs/dbraw/zinc/08/35/18/557083518.db2.gz AEHQNWXEMUXRPY-CWRNSKLLSA-N 1 1 361.446 1.286 50 0 FDAAMO C[NH+]1CCC(CN2CCN(C(=O)c3cccc(-n4cnnc4)c3)CC2)CC1 ZINC000215672082 568082976 /nfs/dbraw/zinc/08/29/76/568082976.db2.gz LWSYUUQDXBAAQT-UHFFFAOYSA-N 1 1 368.485 1.367 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000048324468 570945476 /nfs/dbraw/zinc/94/54/76/570945476.db2.gz ZTNFQLAVPGEXSZ-OKILXGFUSA-N 1 1 356.426 1.721 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000048324468 570945480 /nfs/dbraw/zinc/94/54/80/570945480.db2.gz ZTNFQLAVPGEXSZ-OKILXGFUSA-N 1 1 356.426 1.721 50 0 FDAAMO Cc1noc([C@]23CN(C(=O)c4c[nH]nc4C4CC4)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685941843 571102404 /nfs/dbraw/zinc/10/24/04/571102404.db2.gz CLORGBJRMXLBGM-FZKQIMNGSA-N 1 1 356.430 1.324 50 0 FDAAMO COc1ccc(CCNC(=O)C[NH+]2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000243892533 571112286 /nfs/dbraw/zinc/11/22/86/571112286.db2.gz AIIXWXFJCVTKNP-SFHVURJKSA-N 1 1 362.470 1.360 50 0 FDAAMO O=C(CCOc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000252484379 571132187 /nfs/dbraw/zinc/13/21/87/571132187.db2.gz FVBDPPXLQIXHKT-RTBURBONSA-N 1 1 355.438 1.602 50 0 FDAAMO O=C(CCOc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000252484379 571132188 /nfs/dbraw/zinc/13/21/88/571132188.db2.gz FVBDPPXLQIXHKT-RTBURBONSA-N 1 1 355.438 1.602 50 0 FDAAMO O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299778796 571197286 /nfs/dbraw/zinc/19/72/86/571197286.db2.gz HIFMBNZXILHYAK-XHSDSOJGSA-N 1 1 354.410 1.730 50 0 FDAAMO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ncc4c(n3)CCC4)o2)CC1 ZINC000299787794 571199917 /nfs/dbraw/zinc/19/99/17/571199917.db2.gz ZYEXMZSQNOXRAL-UHFFFAOYSA-N 1 1 355.442 1.236 50 0 FDAAMO Cc1nc(CN(C)C(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000426358899 571214804 /nfs/dbraw/zinc/21/48/04/571214804.db2.gz DUZWYFQLSZSECY-HNNXBMFYSA-N 1 1 371.528 1.309 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)n1 ZINC000426380268 571217135 /nfs/dbraw/zinc/21/71/35/571217135.db2.gz ATEFPRCHSXJTJL-GFCCVEGCSA-N 1 1 359.396 1.446 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CCN(C)[C@@H]2CC[N@H+](C)C2)n1 ZINC000426380268 571217136 /nfs/dbraw/zinc/21/71/36/571217136.db2.gz ATEFPRCHSXJTJL-GFCCVEGCSA-N 1 1 359.396 1.446 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CCN(C)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000426380268 571217139 /nfs/dbraw/zinc/21/71/39/571217139.db2.gz ATEFPRCHSXJTJL-GFCCVEGCSA-N 1 1 359.396 1.446 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CCN(CCO)CC1 ZINC000426387069 571217974 /nfs/dbraw/zinc/21/79/74/571217974.db2.gz JLFYPOIWKKBVQP-LJQANCHMSA-N 1 1 360.502 1.186 50 0 FDAAMO OCCNc1nc(NCc2cccc3[nH]ccc32)cc([C@H]2CCOC2)[nH+]1 ZINC000426387889 571218445 /nfs/dbraw/zinc/21/84/45/571218445.db2.gz PJTWMKIHGWECTR-AWEZNQCLSA-N 1 1 353.426 1.322 50 0 FDAAMO Cc1nnc(-c2ccc(C)c(NC(=O)NC3CC[NH+](CC(N)=O)CC3)c2)o1 ZINC000426486028 571227724 /nfs/dbraw/zinc/22/77/24/571227724.db2.gz REBTXVLNFMSTLP-UHFFFAOYSA-N 1 1 372.429 1.425 50 0 FDAAMO C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3Cc4ccccc4C3)C[C@@]2(C(=O)[O-])C1 ZINC000426526565 571230183 /nfs/dbraw/zinc/23/01/83/571230183.db2.gz ZPBSDCIEFUMSCS-PXNSSMCTSA-N 1 1 357.454 1.257 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1cccc2nccnc21 ZINC000426658331 571234396 /nfs/dbraw/zinc/23/43/96/571234396.db2.gz KMLDIZPNHAEABU-SJLPKXTDSA-N 1 1 363.421 1.390 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1cccc2nccnc21 ZINC000426658331 571234397 /nfs/dbraw/zinc/23/43/97/571234397.db2.gz KMLDIZPNHAEABU-SJLPKXTDSA-N 1 1 363.421 1.390 50 0 FDAAMO CC(=O)N(C)c1cccc(NC(=O)NCC[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000426691304 571235326 /nfs/dbraw/zinc/23/53/26/571235326.db2.gz PGQYFQCWFHEHRY-HNNXBMFYSA-N 1 1 361.490 1.817 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCC[C@H](CO)C1)c1ccc(F)c(Cl)c1 ZINC000670439973 571348560 /nfs/dbraw/zinc/34/85/60/571348560.db2.gz GGXAIKKTPDPZMT-NSHDSACASA-N 1 1 350.843 1.462 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCC[C@H](CO)C1)c1ccc(F)c(Cl)c1 ZINC000670439973 571348561 /nfs/dbraw/zinc/34/85/61/571348561.db2.gz GGXAIKKTPDPZMT-NSHDSACASA-N 1 1 350.843 1.462 50 0 FDAAMO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc2s1 ZINC000670449460 571352197 /nfs/dbraw/zinc/35/21/97/571352197.db2.gz PMSGHIVPLLDCLK-LLVKDONJSA-N 1 1 371.484 1.127 50 0 FDAAMO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2s1 ZINC000670449460 571352198 /nfs/dbraw/zinc/35/21/98/571352198.db2.gz PMSGHIVPLLDCLK-LLVKDONJSA-N 1 1 371.484 1.127 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3ccon3)s2)C1 ZINC000670456745 571354693 /nfs/dbraw/zinc/35/46/93/571354693.db2.gz SILABJLFAABADK-LBPRGKRZSA-N 1 1 371.484 1.650 50 0 FDAAMO CC(C)OCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000012458139 670613063 /nfs/dbraw/zinc/61/30/63/670613063.db2.gz AWRNWLWWKFSVJM-KRWDZBQOSA-N 1 1 353.507 1.689 50 0 FDAAMO Cc1ccc(C[N@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@@H](O)C2)s1 ZINC000014542232 670625523 /nfs/dbraw/zinc/62/55/23/670625523.db2.gz ZGOOEISWJBVCMM-HNNXBMFYSA-N 1 1 365.499 1.074 50 0 FDAAMO Cc1ccc(C[N@@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@@H](O)C2)s1 ZINC000014542232 670625524 /nfs/dbraw/zinc/62/55/24/670625524.db2.gz ZGOOEISWJBVCMM-HNNXBMFYSA-N 1 1 365.499 1.074 50 0 FDAAMO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C(N)=O)[nH]1 ZINC000169791251 672042667 /nfs/dbraw/zinc/04/26/67/672042667.db2.gz NQPYCLJBPVZVKU-CHWSQXEVSA-N 1 1 353.348 1.833 50 0 FDAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)c1sccc1C)CC2 ZINC000169792923 672042995 /nfs/dbraw/zinc/04/29/95/672042995.db2.gz MKBAUWLFWJTXIP-HNNXBMFYSA-N 1 1 352.500 1.849 50 0 FDAAMO O=C1CCCN1C[C@@H](O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000178505922 672142480 /nfs/dbraw/zinc/14/24/80/672142480.db2.gz TZMNDPWGMNAYEJ-AWEZNQCLSA-N 1 1 360.483 1.402 50 0 FDAAMO Cc1ncn(CC(=O)N2CC([N@@H+]3CCc4ccccc4C3)C2)c(=O)c1C ZINC000585323788 781827105 /nfs/dbraw/zinc/82/71/05/781827105.db2.gz NAHARUZITUXIRM-UHFFFAOYSA-N 1 1 352.438 1.129 50 0 FDAAMO Cc1ncn(CC(=O)N2CC([N@H+]3CCc4ccccc4C3)C2)c(=O)c1C ZINC000585323788 781827112 /nfs/dbraw/zinc/82/71/12/781827112.db2.gz NAHARUZITUXIRM-UHFFFAOYSA-N 1 1 352.438 1.129 50 0 FDAAMO O=C1NCC2(CC[NH+](CCN3CCN(Cc4ccccc4)CC3)CC2)O1 ZINC000244601806 805761699 /nfs/dbraw/zinc/76/16/99/805761699.db2.gz DSAUMQRSZHROQL-UHFFFAOYSA-N 1 1 358.486 1.379 50 0 FDAAMO CN1CCN(C(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](C[N@H+]2C)[C@@H]34)CC1 ZINC000257179391 793900168 /nfs/dbraw/zinc/90/01/68/793900168.db2.gz CPFXFZGHWZPDEL-PXCRPINLSA-N 1 1 362.562 1.735 50 0 FDAAMO CCC(CC)C[N@H+]1C[C@@H](O)C[C@H]1c1nnc2n1CCN(C(=O)C(C)C)C2 ZINC000675011296 795209416 /nfs/dbraw/zinc/20/94/16/795209416.db2.gz RWQWAXDQIHZZJW-HOTGVXAUSA-N 1 1 363.506 1.820 50 0 FDAAMO Cn1cc[nH+]c1CC1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000178771363 810239568 /nfs/dbraw/zinc/23/95/68/810239568.db2.gz QMOJXVGXFLRXTN-MRXNPFEDSA-N 1 1 356.474 1.630 50 0 FDAAMO CN1CC[NH+](CC(C)(C)NC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000426514835 810649779 /nfs/dbraw/zinc/64/97/79/810649779.db2.gz PFXUMRXAZPZHNJ-UHFFFAOYSA-N 1 1 359.518 1.997 50 0 FDAAMO O=C([C@H](c1cccnc1)[NH+]1CCCC1)N1CCc2nc[nH]c(=O)c2CC1 ZINC000299781547 833143497 /nfs/dbraw/zinc/14/34/97/833143497.db2.gz LFSJEDJVYZSMNC-KRWDZBQOSA-N 1 1 353.426 1.342 50 0 FDAAMO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000253413544 856270037 /nfs/dbraw/zinc/27/00/37/856270037.db2.gz VBLBFZNULSGIGU-AZUAARDMSA-N 1 1 354.450 1.847 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](CCc2ccccc2)CC3)CC1 ZINC000169752198 864486124 /nfs/dbraw/zinc/48/61/24/864486124.db2.gz VOGKQCUONUZABQ-UHFFFAOYSA-N 1 1 367.497 1.165 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CCc2ccccc2)CC3)CC1 ZINC000169752198 864486131 /nfs/dbraw/zinc/48/61/31/864486131.db2.gz VOGKQCUONUZABQ-UHFFFAOYSA-N 1 1 367.497 1.165 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)c1cn(CCC2CCCCC2)nn1 ZINC000012453184 882098202 /nfs/dbraw/zinc/09/82/02/882098202.db2.gz PIWRRUKOFIMEAJ-QGZVFWFLSA-N 1 1 363.506 1.825 50 0 FDAAMO CCS(=O)(=O)N1CCC([N@H+]2C[C@@H](OCCOC)C23CCCCC3)CC1 ZINC000581802899 927588273 /nfs/dbraw/zinc/58/82/73/927588273.db2.gz RFJKVRNQWCMPLQ-QGZVFWFLSA-N 1 1 374.547 1.851 50 0 FDAAMO Cc1noc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cnc(C)cn2)CC3)n1 ZINC000581802654 927588301 /nfs/dbraw/zinc/58/83/01/927588301.db2.gz MFLLQRCLJCQPQX-HNNXBMFYSA-N 1 1 356.430 1.776 50 0 FDAAMO Cc1noc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cnc(C)cn2)CC3)n1 ZINC000581802654 927588308 /nfs/dbraw/zinc/58/83/08/927588308.db2.gz MFLLQRCLJCQPQX-HNNXBMFYSA-N 1 1 356.430 1.776 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CC[C@H](Cc3[nH+]cc(C)n3C3CC3)C2)cn1 ZINC000581806145 927602308 /nfs/dbraw/zinc/60/23/08/927602308.db2.gz UDGLDSBKANJIRS-CQSZACIVSA-N 1 1 363.487 1.996 50 0 FDAAMO OCC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccco1 ZINC000105978576 941290237 /nfs/dbraw/zinc/29/02/37/941290237.db2.gz VAKCJAGLSBPAPV-QGZVFWFLSA-N 1 1 368.441 1.529 50 0 FDAAMO OCC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccco1 ZINC000105978576 941290240 /nfs/dbraw/zinc/29/02/40/941290240.db2.gz VAKCJAGLSBPAPV-QGZVFWFLSA-N 1 1 368.441 1.529 50 0 FDAAMO Cc1nccn1-c1ccc(C[C@@H]2CC[C@H](C[N@@H+](C)CCN(C)C)O2)nn1 ZINC000952854553 960171702 /nfs/dbraw/zinc/17/17/02/960171702.db2.gz AKGQRUPCXSIBPB-ZWKOTPCHSA-N 1 1 358.490 1.554 50 0 FDAAMO Cc1nccn1-c1ccc(C[C@@H]2CC[C@H](C[N@H+](C)CCN(C)C)O2)nn1 ZINC000952854553 960171708 /nfs/dbraw/zinc/17/17/08/960171708.db2.gz AKGQRUPCXSIBPB-ZWKOTPCHSA-N 1 1 358.490 1.554 50 0 FDAAMO CC(C)c1ccc(N2C[C@@H](C(=O)N3CC[NH+](CCCO)CC3)CC2=O)cc1 ZINC000952862378 960193570 /nfs/dbraw/zinc/19/35/70/960193570.db2.gz PBXPBEJMGLWKCN-SFHVURJKSA-N 1 1 373.497 1.690 50 0 FDAAMO Cc1ccc([C@@H](NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c2ccncc2)cc1 ZINC000952869646 960213382 /nfs/dbraw/zinc/21/33/82/960213382.db2.gz XOFRQTUFXBEQFE-UYAOXDASSA-N 1 1 366.465 1.793 50 0 FDAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952873020 960221047 /nfs/dbraw/zinc/22/10/47/960221047.db2.gz USWHBUGTXCFXLM-GDBMZVCRSA-N 1 1 369.469 1.793 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NCC1CCN(C(=O)[C@@]2(C)CC(C)=NO2)CC1 ZINC000952872717 960221241 /nfs/dbraw/zinc/22/12/41/960221241.db2.gz SOWYYJTZLRYWKH-GOSISDBHSA-N 1 1 361.446 1.101 50 0 FDAAMO Nc1ncc(/C=C/C(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000952867279 960238051 /nfs/dbraw/zinc/23/80/51/960238051.db2.gz LRKVRRWSDSYEHT-VOTSOKGWSA-N 1 1 363.465 1.774 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2csc(Cc3ccccc3)n2)C1 ZINC000952963064 960246587 /nfs/dbraw/zinc/24/65/87/960246587.db2.gz HJHQZBHIKSFJEH-OAHLLOKOSA-N 1 1 372.494 1.547 50 0 FDAAMO CCN(CCOc1ccc(F)cc1)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952969910 960262894 /nfs/dbraw/zinc/26/28/94/960262894.db2.gz BARSEXWVUVSWQG-AWEZNQCLSA-N 1 1 351.422 1.250 50 0 FDAAMO COc1ccc(-n2cnnc2)cc1NC(=O)CC[C@@H](C)N1CC[NH+](C)CC1 ZINC000952979034 960278158 /nfs/dbraw/zinc/27/81/58/960278158.db2.gz LXSJYGAWPBIVKG-OAHLLOKOSA-N 1 1 372.473 1.631 50 0 FDAAMO COc1cc(C(=O)N2CCC[C@H](CNC(=O)Cn3cc[nH+]c3C)C2)ccn1 ZINC000952980381 960280143 /nfs/dbraw/zinc/28/01/43/960280143.db2.gz ZJGGFIGEACYBCE-OAHLLOKOSA-N 1 1 371.441 1.264 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000043741226 1006692939 /nfs/dbraw/zinc/69/29/39/1006692939.db2.gz SYUDRJAFDXATKU-IKGGRYGDSA-N 1 1 370.449 1.716 50 0 FDAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)CN3Cc4ccccc4C3=O)CC2)cn1 ZINC000264301339 179072115 /nfs/dbraw/zinc/07/21/15/179072115.db2.gz KKOLMBYITCBMKD-UHFFFAOYSA-N 1 1 367.453 1.110 50 0 FDAAMO Cn1cc(C[N@H+]2CCCN(C(=O)CN3Cc4ccccc4C3=O)CC2)cn1 ZINC000264301339 179072117 /nfs/dbraw/zinc/07/21/17/179072117.db2.gz KKOLMBYITCBMKD-UHFFFAOYSA-N 1 1 367.453 1.110 50 0 FDAAMO COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1NS(C)(=O)=O ZINC000267174151 210007113 /nfs/dbraw/zinc/00/71/13/210007113.db2.gz PDSQWSAHUBXYHU-ZDUSSCGKSA-N 1 1 368.459 1.379 50 0 FDAAMO O=C(NC[C@H]1CCC[N@H+](CCO)C1)N1CCC(c2cccc(O)c2)CC1 ZINC000534648179 540394062 /nfs/dbraw/zinc/39/40/62/540394062.db2.gz GDWWIFFEOKUFJJ-MRXNPFEDSA-N 1 1 361.486 1.986 50 0 FDAAMO C[N@H+]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@@]12CCNC(=O)CC2 ZINC000107412986 209275456 /nfs/dbraw/zinc/27/54/56/209275456.db2.gz CKYVIDKGNMHYJW-HXUWFJFHSA-N 1 1 372.444 1.454 50 0 FDAAMO Cc1cnc(CNC(=O)[C@H]2[C@@H]3C[N@H+](C[C@@H]4CCOC(C)(C)C4)C[C@@H]32)cn1 ZINC000102727013 209240831 /nfs/dbraw/zinc/24/08/31/209240831.db2.gz HGTHOUHJXHWWRY-BGTYHANMSA-N 1 1 358.486 1.784 50 0 FDAAMO Cc1cnc(CNC(=O)[C@H]2[C@@H]3C[N@H+](C[C@H]4CCOC(C)(C)C4)C[C@@H]32)cn1 ZINC000102727017 209240689 /nfs/dbraw/zinc/24/06/89/209240689.db2.gz HGTHOUHJXHWWRY-DZJNRPSUSA-N 1 1 358.486 1.784 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)cc(S(N)(=O)=O)c1C ZINC000097797576 209198942 /nfs/dbraw/zinc/19/89/42/209198942.db2.gz GMAQUAXENICYFE-DZGCQCFKSA-N 1 1 351.472 1.117 50 0 FDAAMO Cc1c2cc(F)ccc2n(C)c1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097446908 209181851 /nfs/dbraw/zinc/18/18/51/209181851.db2.gz CJNKFUDMTAIJSW-CYBMUJFWSA-N 1 1 360.433 1.553 50 0 FDAAMO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000097010694 209166926 /nfs/dbraw/zinc/16/69/26/209166926.db2.gz OPOKTSWZVIYFFM-YJBOKZPZSA-N 1 1 372.469 1.785 50 0 FDAAMO COc1cccc([C@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096279980 209148630 /nfs/dbraw/zinc/14/86/30/209148630.db2.gz LRTFCDRWONRBDY-MOPGFXCFSA-N 1 1 373.497 1.667 50 0 FDAAMO Cc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1NC(=O)C[NH+](C)C ZINC000096164030 209128514 /nfs/dbraw/zinc/12/85/14/209128514.db2.gz QURDDXCACCEHGP-CQSZACIVSA-N 1 1 350.419 1.032 50 0 FDAAMO Cc1[nH+]ccn1Cc1nc(-c2ccncc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000096163705 209128545 /nfs/dbraw/zinc/12/85/45/209128545.db2.gz DFTWHIIRWHXTNY-CQSZACIVSA-N 1 1 358.427 1.253 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)[C@@H]1CCOc3ccccc3C1)CC2 ZINC000096149812 209123205 /nfs/dbraw/zinc/12/32/05/209123205.db2.gz MTLRXPAYKJNQNZ-GOSISDBHSA-N 1 1 357.498 1.866 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)C1 ZINC000096149812 209123209 /nfs/dbraw/zinc/12/32/09/209123209.db2.gz MTLRXPAYKJNQNZ-GOSISDBHSA-N 1 1 357.498 1.866 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCOc4ccccc4C3)CC2)C1 ZINC000096149812 209123211 /nfs/dbraw/zinc/12/32/11/209123211.db2.gz MTLRXPAYKJNQNZ-GOSISDBHSA-N 1 1 357.498 1.866 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C2(O)CC[NH+](C)CC2)CC3)cc1 ZINC000096136126 209118773 /nfs/dbraw/zinc/11/87/73/209118773.db2.gz BZHQLNZTJHIHBC-UHFFFAOYSA-N 1 1 370.453 1.427 50 0 FDAAMO CCCC[N@@H+](CC)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000004100758 207000906 /nfs/dbraw/zinc/00/09/06/207000906.db2.gz QDIRQLXZOLQJFV-UHFFFAOYSA-N 1 1 355.460 1.532 50 0 FDAAMO CC1=[NH+]N(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005147999 207082842 /nfs/dbraw/zinc/08/28/42/207082842.db2.gz UHADYONLPGEGAH-LBPRGKRZSA-N 1 1 352.398 1.391 50 0 FDAAMO COc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1S(=O)(=O)N(C)C ZINC000007460195 207196955 /nfs/dbraw/zinc/19/69/55/207196955.db2.gz SAWZKTKEKMGNET-UHFFFAOYSA-N 1 1 369.487 1.616 50 0 FDAAMO C[C@@H](O)C[N@@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1Br ZINC000035590854 207223854 /nfs/dbraw/zinc/22/38/54/207223854.db2.gz UACNSABIGZXIHA-XQQFMLRXSA-N 1 1 362.264 1.252 50 0 FDAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)C ZINC000011764276 207320787 /nfs/dbraw/zinc/32/07/87/207320787.db2.gz GFCDVDADBIQKMJ-QGZVFWFLSA-N 1 1 363.506 1.264 50 0 FDAAMO COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C ZINC000011874739 207327406 /nfs/dbraw/zinc/32/74/06/207327406.db2.gz ZIVRUPVOTKCDEY-INIZCTEOSA-N 1 1 361.486 1.591 50 0 FDAAMO COc1ccccc1CCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C ZINC000011874739 207327409 /nfs/dbraw/zinc/32/74/09/207327409.db2.gz ZIVRUPVOTKCDEY-INIZCTEOSA-N 1 1 361.486 1.591 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012432829 207375212 /nfs/dbraw/zinc/37/52/12/207375212.db2.gz XDOWGFOTSDAMGB-KRWDZBQOSA-N 1 1 352.438 1.466 50 0 FDAAMO O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1cn2ccccc2[nH+]1 ZINC000012548373 207391088 /nfs/dbraw/zinc/39/10/88/207391088.db2.gz DATNABARPAMWHH-UHFFFAOYSA-N 1 1 358.423 1.329 50 0 FDAAMO C[C@@H](NC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc2c(c1)CCCC2 ZINC000032802737 208045513 /nfs/dbraw/zinc/04/55/13/208045513.db2.gz IPKOKRUBVCQWNF-CQSZACIVSA-N 1 1 358.486 1.875 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3[C@](O)(C[C@H]2[N@H+](C)C1)C(=O)N4 ZINC000034335998 208103980 /nfs/dbraw/zinc/10/39/80/208103980.db2.gz YSZSHHCNLVHCNV-CBLJQSSYSA-N 1 1 355.438 1.412 50 0 in-vitro FDAAMO Cc1ccc(Cl)cc1S(=O)(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000036397882 208163726 /nfs/dbraw/zinc/16/37/26/208163726.db2.gz JKFSPBUGJBAOPL-UHFFFAOYSA-N 1 1 359.879 1.091 50 0 FDAAMO Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CC[N@@H+](CCO)C2 ZINC000071890390 208183583 /nfs/dbraw/zinc/18/35/83/208183583.db2.gz SMXJINRUODRLSP-AWEZNQCLSA-N 1 1 371.485 1.700 50 0 FDAAMO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CCO)C3)c1C ZINC000071890360 208184783 /nfs/dbraw/zinc/18/47/83/208184783.db2.gz RERAVYWCUNHRRM-CYBMUJFWSA-N 1 1 357.458 1.454 50 0 FDAAMO O=C(c1cccc(Cl)c1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000046140842 208361482 /nfs/dbraw/zinc/36/14/82/208361482.db2.gz RURKMGVXNMIDQP-UHFFFAOYSA-N 1 1 371.890 1.180 50 0 FDAAMO Cc1cc(=O)n2nc(NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)sc2n1 ZINC000048310856 208398701 /nfs/dbraw/zinc/39/87/01/208398701.db2.gz ZEYMFWJAMLZCQO-TXEJJXNPSA-N 1 1 351.476 1.759 50 0 FDAAMO Cc1cc(=O)n2nc(NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)sc2n1 ZINC000048310856 208398705 /nfs/dbraw/zinc/39/87/05/208398705.db2.gz ZEYMFWJAMLZCQO-TXEJJXNPSA-N 1 1 351.476 1.759 50 0 FDAAMO COCC[N@H+]1CCCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 ZINC000048299879 208399171 /nfs/dbraw/zinc/39/91/71/208399171.db2.gz KPACFUNPXCOFRB-INIZCTEOSA-N 1 1 350.459 1.781 50 0 FDAAMO C[N@H+]1CCN(C/C=C/c2ccccc2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000091847393 209000516 /nfs/dbraw/zinc/00/05/16/209000516.db2.gz GSTTTXNPMMFELK-FERLCFGISA-N 1 1 357.498 1.691 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1CO ZINC000091858297 209000912 /nfs/dbraw/zinc/00/09/12/209000912.db2.gz KOKZMOVKKVWQJJ-RTBURBONSA-N 1 1 370.497 1.409 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1CO ZINC000091858297 209000914 /nfs/dbraw/zinc/00/09/14/209000914.db2.gz KOKZMOVKKVWQJJ-RTBURBONSA-N 1 1 370.497 1.409 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000091914929 209003789 /nfs/dbraw/zinc/00/37/89/209003789.db2.gz VPWDKZUAAJKCAC-INIZCTEOSA-N 1 1 359.445 1.871 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000091914929 209003794 /nfs/dbraw/zinc/00/37/94/209003794.db2.gz VPWDKZUAAJKCAC-INIZCTEOSA-N 1 1 359.445 1.871 50 0 FDAAMO CCCNc1ncc(CN2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)cn1 ZINC000091906962 209004622 /nfs/dbraw/zinc/00/46/22/209004622.db2.gz QQQPQVSOTMTZAH-DOTOQJQBSA-N 1 1 360.506 1.283 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(CC)nc2)C[N@H+]1CC1CCCC1 ZINC000091915209 209006141 /nfs/dbraw/zinc/00/61/41/209006141.db2.gz DXTHBGAOISNTTF-IRXDYDNUSA-N 1 1 373.501 1.538 50 0 FDAAMO COC(=O)CC[N@@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000095985653 209092990 /nfs/dbraw/zinc/09/29/90/209092990.db2.gz IVXURRWHBOQXKB-OAHLLOKOSA-N 1 1 371.441 1.973 50 0 FDAAMO COC(=O)CC[N@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000095985653 209092996 /nfs/dbraw/zinc/09/29/96/209092996.db2.gz IVXURRWHBOQXKB-OAHLLOKOSA-N 1 1 371.441 1.973 50 0 FDAAMO C[N@H+]1CCN(C(=O)CCCOc2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000091951956 209006843 /nfs/dbraw/zinc/00/68/43/209006843.db2.gz AVDMDUMGEUMQGC-HXUWFJFHSA-N 1 1 359.470 1.659 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4C)n3C)C2)cn1 ZINC000095367358 209030686 /nfs/dbraw/zinc/03/06/86/209030686.db2.gz IHFVPSBKNZLIPO-QGZVFWFLSA-N 1 1 368.489 1.964 50 0 FDAAMO CN([C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000095365961 209031098 /nfs/dbraw/zinc/03/10/98/209031098.db2.gz HYOACISGOJRBJR-INIZCTEOSA-N 1 1 365.499 1.684 50 0 FDAAMO CN([C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000095365961 209031100 /nfs/dbraw/zinc/03/11/00/209031100.db2.gz HYOACISGOJRBJR-INIZCTEOSA-N 1 1 365.499 1.684 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000095365614 209031885 /nfs/dbraw/zinc/03/18/85/209031885.db2.gz NLDZOMFJXIRDER-SFHVURJKSA-N 1 1 362.433 1.639 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000095365614 209031889 /nfs/dbraw/zinc/03/18/89/209031889.db2.gz NLDZOMFJXIRDER-SFHVURJKSA-N 1 1 362.433 1.639 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095476669 209058232 /nfs/dbraw/zinc/05/82/32/209058232.db2.gz AFXBZVCDVMBTNZ-CHWSQXEVSA-N 1 1 373.432 1.655 50 0 FDAAMO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCC(O)CC2)cc1OC ZINC000095496813 209059987 /nfs/dbraw/zinc/05/99/87/209059987.db2.gz IUNVDSPTOTYQSI-GOSISDBHSA-N 1 1 366.502 1.733 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCc3nc(-c4ccccc4)[nH]c3C2)C1 ZINC000095500052 209061172 /nfs/dbraw/zinc/06/11/72/209061172.db2.gz JDPQLRQNEQDSKI-HNNXBMFYSA-N 1 1 367.453 1.159 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095500052 209061178 /nfs/dbraw/zinc/06/11/78/209061178.db2.gz JDPQLRQNEQDSKI-HNNXBMFYSA-N 1 1 367.453 1.159 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095500052 209061182 /nfs/dbraw/zinc/06/11/82/209061182.db2.gz JDPQLRQNEQDSKI-HNNXBMFYSA-N 1 1 367.453 1.159 50 0 FDAAMO CNc1nc(C)cc(N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091964617 132205066 /nfs/dbraw/zinc/20/50/66/132205066.db2.gz VUAJIFASLLJFSH-INIZCTEOSA-N 1 1 372.517 1.740 50 0 FDAAMO CNc1nc(C)cc(N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091964617 132205067 /nfs/dbraw/zinc/20/50/67/132205067.db2.gz VUAJIFASLLJFSH-INIZCTEOSA-N 1 1 372.517 1.740 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3nccc(N)n3)C2)n1C ZINC000095386025 132210212 /nfs/dbraw/zinc/21/02/12/132210212.db2.gz WSXRFEAXZMYEJP-ZDUSSCGKSA-N 1 1 353.434 1.125 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(c3cc(N)ncn3)C[C@H]2CCO)cc(OC)c1 ZINC000106945801 132266147 /nfs/dbraw/zinc/26/61/47/132266147.db2.gz GXRSGHNKUPXIGW-OAHLLOKOSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1cc(C[N@H+]2CCN(c3cc(N)ncn3)C[C@H]2CCO)cc(OC)c1 ZINC000106945801 132266149 /nfs/dbraw/zinc/26/61/49/132266149.db2.gz GXRSGHNKUPXIGW-OAHLLOKOSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1ccc(OCC[NH+]2CCN(c3ccc4nccn4n3)CC2)cc1 ZINC000244691770 132290483 /nfs/dbraw/zinc/29/04/83/132290483.db2.gz JIYHVWOCRZCHCJ-UHFFFAOYSA-N 1 1 353.426 1.939 50 0 FDAAMO O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000245241957 132291878 /nfs/dbraw/zinc/29/18/78/132291878.db2.gz UWBQHZKARFQCON-KURKYZTESA-N 1 1 356.470 1.125 50 0 FDAAMO O=C(NC1CCN(c2ncccn2)CC1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000299778299 132299634 /nfs/dbraw/zinc/29/96/34/132299634.db2.gz PNNDUNAKOPVJRC-SFHVURJKSA-N 1 1 366.469 1.794 50 0 FDAAMO CCS(=O)(=O)N1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000002734863 132383878 /nfs/dbraw/zinc/38/38/78/132383878.db2.gz ZRRGQEJTQKOZII-UHFFFAOYSA-N 1 1 355.479 1.762 50 0 FDAAMO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH2+][C@@H](C(N)=O)C3)c2c1C ZINC000057423104 136129216 /nfs/dbraw/zinc/12/92/16/136129216.db2.gz ZPMYENOBACQPNN-CYBMUJFWSA-N 1 1 368.466 1.634 50 0 FDAAMO CC(C)[C@@]1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000060358234 136132336 /nfs/dbraw/zinc/13/23/36/136132336.db2.gz MEANVTUQMIYMSX-YLJYHZDGSA-N 1 1 374.485 1.136 50 0 FDAAMO Cc1ccc(N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)nn1 ZINC000071479533 136139572 /nfs/dbraw/zinc/13/95/72/136139572.db2.gz KEZKHBFSJKVLOF-RTBURBONSA-N 1 1 371.460 1.686 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3ncc(F)cn3)CC2)C1)N1CCCC1 ZINC000071748919 136140021 /nfs/dbraw/zinc/14/00/21/136140021.db2.gz MDLBSYCTPLGIOU-OAHLLOKOSA-N 1 1 361.465 1.919 50 0 FDAAMO Cc1ccccc1C(=O)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072438058 136147567 /nfs/dbraw/zinc/14/75/67/136147567.db2.gz DKUHRINRAYFSOC-UHFFFAOYSA-N 1 1 367.453 1.584 50 0 FDAAMO Cc1ccc(OCC[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1C ZINC000095527148 209076128 /nfs/dbraw/zinc/07/61/28/209076128.db2.gz NOXVSVUCYJJVIL-ZWKOTPCHSA-N 1 1 373.497 1.693 50 0 FDAAMO C[N@H+]1CCC[C@@H](c2nc(Cn3cncn3)nn2CCc2ccccc2)C1 ZINC000095529401 209077463 /nfs/dbraw/zinc/07/74/63/209077463.db2.gz ROUJPQYAAYETCU-QGZVFWFLSA-N 1 1 351.458 1.970 50 0 FDAAMO CC1=[NH+]N(C/C=C/c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000004316633 518292699 /nfs/dbraw/zinc/29/26/99/518292699.db2.gz BOKSFOJLOSUOIG-JXMROGBWSA-N 1 1 364.409 1.343 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000004687782 518307305 /nfs/dbraw/zinc/30/73/05/518307305.db2.gz ZKDNTHTXBSBRKO-OWCLPIDISA-N 1 1 359.536 1.142 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)CSc2nc(C)cc(C)c21 ZINC000006802806 518385859 /nfs/dbraw/zinc/38/58/59/518385859.db2.gz YMCPJFQOFXWGOP-CQSZACIVSA-N 1 1 362.499 1.738 50 0 FDAAMO Cc1cccc(Cn2c(=O)c3c(nc4n3[C@@H](C)C(C)=[NH+]N4C)n(C)c2=O)c1 ZINC000008724568 518484525 /nfs/dbraw/zinc/48/45/25/518484525.db2.gz ZGXARTNQLWAMCJ-ZDUSSCGKSA-N 1 1 366.425 1.640 50 0 FDAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC000010330996 518533981 /nfs/dbraw/zinc/53/39/81/518533981.db2.gz DPHSFYALXZCGAF-CQSZACIVSA-N 1 1 361.398 1.654 50 0 FDAAMO CCCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371245 518656854 /nfs/dbraw/zinc/65/68/54/518656854.db2.gz ZKBGNSOCSWXNNF-RYUDHWBXSA-N 1 1 351.515 1.467 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000013636757 518663939 /nfs/dbraw/zinc/66/39/39/518663939.db2.gz CKPNKRDQQZMWSY-GOSISDBHSA-N 1 1 372.513 1.572 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000013636757 518663948 /nfs/dbraw/zinc/66/39/48/518663948.db2.gz CKPNKRDQQZMWSY-GOSISDBHSA-N 1 1 372.513 1.572 50 0 FDAAMO CC[N@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000014136084 518677208 /nfs/dbraw/zinc/67/72/08/518677208.db2.gz SBEGAIUKPQGVDT-GOSISDBHSA-N 1 1 353.422 1.788 50 0 FDAAMO CC[N@@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000014136084 518677215 /nfs/dbraw/zinc/67/72/15/518677215.db2.gz SBEGAIUKPQGVDT-GOSISDBHSA-N 1 1 353.422 1.788 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccco1 ZINC000014246068 518685439 /nfs/dbraw/zinc/68/54/39/518685439.db2.gz UDMIVODXWRWQCS-CYBMUJFWSA-N 1 1 352.416 1.351 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)C(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000016421509 518755735 /nfs/dbraw/zinc/75/57/35/518755735.db2.gz XJHMVTWZKSEPOC-UHFFFAOYSA-N 1 1 353.438 1.509 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)C(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000016421509 518755741 /nfs/dbraw/zinc/75/57/41/518755741.db2.gz XJHMVTWZKSEPOC-UHFFFAOYSA-N 1 1 353.438 1.509 50 0 FDAAMO CC(C)c1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000019453314 518811464 /nfs/dbraw/zinc/81/14/64/518811464.db2.gz KXYRYPMMWFNILO-UHFFFAOYSA-N 1 1 353.488 1.350 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 ZINC000019527773 518814636 /nfs/dbraw/zinc/81/46/36/518814636.db2.gz HFLLSEKUSHUCGP-CQSZACIVSA-N 1 1 369.487 1.014 50 0 FDAAMO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019797207 518838300 /nfs/dbraw/zinc/83/83/00/518838300.db2.gz BMWIDRJKDNXXSH-KBPBESRZSA-N 1 1 365.904 1.669 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000022590039 518905106 /nfs/dbraw/zinc/90/51/06/518905106.db2.gz OPLLDMITQUBIJF-QGZVFWFLSA-N 1 1 373.501 1.119 50 0 FDAAMO COc1ccc(OCC[NH+]2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022931376 518921272 /nfs/dbraw/zinc/92/12/72/518921272.db2.gz HZKTYIMIMKQAIX-UHFFFAOYSA-N 1 1 369.465 1.991 50 0 FDAAMO COc1ccc(OCCN2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022931376 518921276 /nfs/dbraw/zinc/92/12/76/518921276.db2.gz HZKTYIMIMKQAIX-UHFFFAOYSA-N 1 1 369.465 1.991 50 0 FDAAMO C[C@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023249179 518939141 /nfs/dbraw/zinc/93/91/41/518939141.db2.gz FPVSPLWLGWEDRE-LLVKDONJSA-N 1 1 358.364 1.406 50 0 FDAAMO CC1(C)CN(Cc2cn(C3CCN(c4cc[nH+]c(N)n4)CC3)nn2)CCO1 ZINC000023339189 518947571 /nfs/dbraw/zinc/94/75/71/518947571.db2.gz ZWCJRJWYOKCYKH-UHFFFAOYSA-N 1 1 372.477 1.103 50 0 FDAAMO NC(=O)CCS(=O)(=O)CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025401288 519060136 /nfs/dbraw/zinc/06/01/36/519060136.db2.gz VWJQKGXIAAHYQY-IBGZPJMESA-N 1 1 372.490 1.924 50 0 FDAAMO NC(=O)CCS(=O)(=O)CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025401288 519060140 /nfs/dbraw/zinc/06/01/40/519060140.db2.gz VWJQKGXIAAHYQY-IBGZPJMESA-N 1 1 372.490 1.924 50 0 FDAAMO COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)C[NH+]1CCOCC1 ZINC000025762200 519082022 /nfs/dbraw/zinc/08/20/22/519082022.db2.gz SKKCDYHHWGQHQN-CYBMUJFWSA-N 1 1 358.394 1.867 50 0 FDAAMO Cn1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1=O ZINC000030000811 519340680 /nfs/dbraw/zinc/34/06/80/519340680.db2.gz WOUOEFNOKBDRBX-LJQANCHMSA-N 1 1 368.481 1.494 50 0 FDAAMO Cn1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1=O ZINC000030000811 519340687 /nfs/dbraw/zinc/34/06/87/519340687.db2.gz WOUOEFNOKBDRBX-LJQANCHMSA-N 1 1 368.481 1.494 50 0 FDAAMO Cn1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1=O ZINC000030000811 519340692 /nfs/dbraw/zinc/34/06/92/519340692.db2.gz WOUOEFNOKBDRBX-LJQANCHMSA-N 1 1 368.481 1.494 50 0 FDAAMO Cc1cc(N2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)nc(C)[nH+]1 ZINC000032923685 519552045 /nfs/dbraw/zinc/55/20/45/519552045.db2.gz VZKKCUFDTYEEJI-UHFFFAOYSA-N 1 1 353.492 1.192 50 0 FDAAMO CCCS(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000033318398 519585910 /nfs/dbraw/zinc/58/59/10/519585910.db2.gz NMVGPXHIBAMNGG-UHFFFAOYSA-N 1 1 367.519 1.637 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375114 519604615 /nfs/dbraw/zinc/60/46/15/519604615.db2.gz XTWMPYDVSJKONX-GXNBUGAJSA-N 1 1 371.412 1.851 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375114 519604618 /nfs/dbraw/zinc/60/46/18/519604618.db2.gz XTWMPYDVSJKONX-GXNBUGAJSA-N 1 1 371.412 1.851 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)CCn3c(C)cccc3=O)cc2C1 ZINC000082106346 519855064 /nfs/dbraw/zinc/85/50/64/519855064.db2.gz DSEUYPDZMZMOND-UHFFFAOYSA-N 1 1 371.485 1.675 50 0 FDAAMO CCOCC(=O)N1CCC(c2nnc(Cn3cc[nH+]c3C)n2CC)CC1 ZINC000091643837 521661675 /nfs/dbraw/zinc/66/16/75/521661675.db2.gz VFIISPRIYHPQSH-UHFFFAOYSA-N 1 1 360.462 1.594 50 0 FDAAMO O=C(NCCO)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071735925 522120224 /nfs/dbraw/zinc/12/02/24/522120224.db2.gz QIKVZARHTXAXPU-IBGZPJMESA-N 1 1 371.525 1.439 50 0 FDAAMO O=C(NCCO)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071735925 522120233 /nfs/dbraw/zinc/12/02/33/522120233.db2.gz QIKVZARHTXAXPU-IBGZPJMESA-N 1 1 371.525 1.439 50 0 FDAAMO O=C([O-])C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071755515 522126915 /nfs/dbraw/zinc/12/69/15/522126915.db2.gz DQULFMRUXIIQFG-QGZVFWFLSA-N 1 1 359.470 1.564 50 0 FDAAMO O=c1[nH]cc(C[N@@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1 ZINC000071774943 522133388 /nfs/dbraw/zinc/13/33/88/522133388.db2.gz HXLJIPUXVLASPB-CQSZACIVSA-N 1 1 369.343 1.526 50 0 FDAAMO O=c1[nH]cc(C[N@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1 ZINC000071774943 522133397 /nfs/dbraw/zinc/13/33/97/522133397.db2.gz HXLJIPUXVLASPB-CQSZACIVSA-N 1 1 369.343 1.526 50 0 FDAAMO O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000072135156 522163446 /nfs/dbraw/zinc/16/34/46/522163446.db2.gz BPOORINPJCTCSE-OAHLLOKOSA-N 1 1 371.368 1.607 50 0 FDAAMO CCn1cnnc1CN(C)Cc1cc2n(n1)CCC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000072141700 522167549 /nfs/dbraw/zinc/16/75/49/522167549.db2.gz BJBVHSWTUQSSPT-SFHVURJKSA-N 1 1 373.505 1.511 50 0 FDAAMO COC(=O)c1n[nH]cc1C[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000072153724 522181370 /nfs/dbraw/zinc/18/13/70/522181370.db2.gz JRVAVSPHDDDLMH-UHFFFAOYSA-N 1 1 354.410 1.707 50 0 FDAAMO CN(C[C@@H](O)CO)C(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000072161785 522188789 /nfs/dbraw/zinc/18/87/89/522188789.db2.gz YRDIGWIHRGPJMR-HXUWFJFHSA-N 1 1 368.477 1.468 50 0 FDAAMO Cc1[nH+]c2n(c1CCNC(=O)Nc1ccc(-n3cncn3)nc1)CCCC2 ZINC000058023127 522198807 /nfs/dbraw/zinc/19/88/07/522198807.db2.gz CWUUFTWNSVRNRE-UHFFFAOYSA-N 1 1 366.429 1.868 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(C(=O)NCc3cnn(C)c3)CC2)cc1 ZINC000058210434 522223715 /nfs/dbraw/zinc/22/37/15/522223715.db2.gz HZLBGPZDNRGVOH-UHFFFAOYSA-N 1 1 357.458 1.499 50 0 FDAAMO Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058250516 522235409 /nfs/dbraw/zinc/23/54/09/522235409.db2.gz MSLMTWGRCWMZIW-BETUJISGSA-N 1 1 367.515 1.659 50 0 FDAAMO C[C@H](CN(C)c1nc(-c2ccncc2)nc2c1cnn2C)[NH+]1CCOCC1 ZINC000072412273 522245013 /nfs/dbraw/zinc/24/50/13/522245013.db2.gz ZIWAKSQWIZEYTM-CQSZACIVSA-N 1 1 367.457 1.582 50 0 FDAAMO CCN1C[C@@H](C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1=O ZINC000072417824 522245437 /nfs/dbraw/zinc/24/54/37/522245437.db2.gz WVSQVDFSCFQDAF-SFHVURJKSA-N 1 1 355.482 1.904 50 0 FDAAMO CCc1nc(CC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cs1 ZINC000089289910 522257278 /nfs/dbraw/zinc/25/72/78/522257278.db2.gz GDGUSBVFNKSVRV-DLBZAZTESA-N 1 1 359.495 2.000 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000072432979 522271574 /nfs/dbraw/zinc/27/15/74/522271574.db2.gz XZUVXWGLJUVFLW-KRWDZBQOSA-N 1 1 351.450 1.992 50 0 FDAAMO c1cnc(N2CCc3ncnc(N4CC[N@H+]5CCC[C@@H]5C4)c3CC2)cn1 ZINC000072436691 522274515 /nfs/dbraw/zinc/27/45/15/522274515.db2.gz YRZVHVXLXIVJBH-OAHLLOKOSA-N 1 1 351.458 1.156 50 0 FDAAMO Cn1nnnc1SCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072453544 522283027 /nfs/dbraw/zinc/28/30/27/522283027.db2.gz APJLFKSLVKFCJF-UHFFFAOYSA-N 1 1 372.498 1.352 50 0 FDAAMO O=C(NCCc1ccccn1)[C@@H]1C[N@@H+](C2CSCCSC2)CCO1 ZINC000072454305 522285640 /nfs/dbraw/zinc/28/56/40/522285640.db2.gz ZNCYDRFTNFLXHV-INIZCTEOSA-N 1 1 367.540 1.290 50 0 FDAAMO O=C(NCCc1ccccn1)[C@@H]1C[N@H+](C2CSCCSC2)CCO1 ZINC000072454305 522285652 /nfs/dbraw/zinc/28/56/52/522285652.db2.gz ZNCYDRFTNFLXHV-INIZCTEOSA-N 1 1 367.540 1.290 50 0 FDAAMO NC(=O)N1CCC[C@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072458862 522288513 /nfs/dbraw/zinc/28/85/13/522288513.db2.gz FFGJVMMHWWPJJY-SFHVURJKSA-N 1 1 356.470 1.579 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072463740 522290409 /nfs/dbraw/zinc/29/04/09/522290409.db2.gz HIBKXUZDHOOTEO-CWFSZBLJSA-N 1 1 357.454 1.366 50 0 FDAAMO CN(C)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072463740 522290420 /nfs/dbraw/zinc/29/04/20/522290420.db2.gz HIBKXUZDHOOTEO-CWFSZBLJSA-N 1 1 357.454 1.366 50 0 FDAAMO O=C(CCn1cnc2ccccc21)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072472826 522292334 /nfs/dbraw/zinc/29/23/34/522292334.db2.gz RMTSTPMBNJMRST-KRWDZBQOSA-N 1 1 356.470 1.874 50 0 FDAAMO CO[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000064040687 522678361 /nfs/dbraw/zinc/67/83/61/522678361.db2.gz CRBDKBMBJOJQSH-INIZCTEOSA-N 1 1 372.469 1.726 50 0 FDAAMO CO[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000064040687 522678366 /nfs/dbraw/zinc/67/83/66/522678366.db2.gz CRBDKBMBJOJQSH-INIZCTEOSA-N 1 1 372.469 1.726 50 0 FDAAMO O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCC[NH+]1CCOCC1 ZINC000065255620 522796725 /nfs/dbraw/zinc/79/67/25/522796725.db2.gz CACQDBMFGHGBTP-UHFFFAOYSA-N 1 1 363.389 1.086 50 0 FDAAMO Cc1cnc(NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)nc1N(C)C ZINC000065381763 522811798 /nfs/dbraw/zinc/81/17/98/522811798.db2.gz QRDVDPMBXDJAMG-UHFFFAOYSA-N 1 1 367.519 1.305 50 0 FDAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C)nn2)cc1)[C@H]1COC[C@@H]1O ZINC000065394739 522814971 /nfs/dbraw/zinc/81/49/71/522814971.db2.gz UBRCHTNWDMNZSK-IRXDYDNUSA-N 1 1 356.426 1.619 50 0 FDAAMO CC(=O)N1CCCn2nc(C(=O)NC[C@H](c3ccc(C)o3)[NH+](C)C)cc2C1 ZINC000065508139 522828987 /nfs/dbraw/zinc/82/89/87/522828987.db2.gz DBTNNZOFKYZICJ-QGZVFWFLSA-N 1 1 373.457 1.569 50 0 FDAAMO COc1ccccc1-n1cc(CN2CCN(c3cc[nH+]c(N)n3)CC2)cn1 ZINC000065530088 522835038 /nfs/dbraw/zinc/83/50/38/522835038.db2.gz JSIFCEBTPKNOTQ-UHFFFAOYSA-N 1 1 365.441 1.575 50 0 FDAAMO CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CSC[NH2+]1 ZINC000154807050 523025027 /nfs/dbraw/zinc/02/50/27/523025027.db2.gz IEFNKNGJIKWWCL-PWSUYJOCSA-N 1 1 364.389 1.566 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000244858564 523172145 /nfs/dbraw/zinc/17/21/45/523172145.db2.gz VNLRONMWMLTVSW-DLBZAZTESA-N 1 1 373.563 1.819 50 0 FDAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@H](C)n3cc[nH+]c3C)CC2)cc1 ZINC000077387161 523318627 /nfs/dbraw/zinc/31/86/27/523318627.db2.gz RWQUSOJIEQWRBX-AWEZNQCLSA-N 1 1 356.426 1.746 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)C2)CC1 ZINC000077419874 523329483 /nfs/dbraw/zinc/32/94/83/523329483.db2.gz KRWKJTVHZDXALW-SFHVURJKSA-N 1 1 371.481 1.406 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)C2)CC1 ZINC000077419874 523329493 /nfs/dbraw/zinc/32/94/93/523329493.db2.gz KRWKJTVHZDXALW-SFHVURJKSA-N 1 1 371.481 1.406 50 0 FDAAMO COc1cccc(CN2CCN(C(=O)c3ccc(C[NH+](C)C)o3)CC2=O)c1 ZINC000077505233 523366687 /nfs/dbraw/zinc/36/66/87/523366687.db2.gz QYUFCDGWQXBOEQ-UHFFFAOYSA-N 1 1 371.437 1.834 50 0 FDAAMO Cc1nc(NCCNC(=O)Cc2ccccc2)cc(N2CCOCC2)[nH+]1 ZINC000067603373 523509443 /nfs/dbraw/zinc/50/94/43/523509443.db2.gz OCTATYNMMKTEGJ-UHFFFAOYSA-N 1 1 355.442 1.392 50 0 FDAAMO COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000067654325 523533724 /nfs/dbraw/zinc/53/37/24/523533724.db2.gz WIJHZLDZGSKVIJ-SFHVURJKSA-N 1 1 370.453 1.780 50 0 FDAAMO Cc1ccc2c(CC(=O)N[C@H]3C[C@H]4CN(C)CC[N@H+]4C3)cc(=O)oc2c1 ZINC000067690793 523547219 /nfs/dbraw/zinc/54/72/19/523547219.db2.gz RHOYHWRIAZYNSK-HOTGVXAUSA-N 1 1 355.438 1.148 50 0 FDAAMO Cc1ccc2c(CC(=O)N[C@H]3C[C@H]4C[N@H+](C)CCN4C3)cc(=O)oc2c1 ZINC000067690793 523547227 /nfs/dbraw/zinc/54/72/27/523547227.db2.gz RHOYHWRIAZYNSK-HOTGVXAUSA-N 1 1 355.438 1.148 50 0 FDAAMO Cc1ccc2c(CC(=O)N[C@H]3C[C@H]4C[N@@H+](C)CCN4C3)cc(=O)oc2c1 ZINC000067690793 523547240 /nfs/dbraw/zinc/54/72/40/523547240.db2.gz RHOYHWRIAZYNSK-HOTGVXAUSA-N 1 1 355.438 1.148 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@@H+]2CCOc3ccc(Cl)cc3C2)C1=O ZINC000067696734 523547383 /nfs/dbraw/zinc/54/73/83/523547383.db2.gz VXVOYLGFRQWFHP-GOSISDBHSA-N 1 1 368.861 1.534 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@H+]2CCOc3ccc(Cl)cc3C2)C1=O ZINC000067696734 523547390 /nfs/dbraw/zinc/54/73/90/523547390.db2.gz VXVOYLGFRQWFHP-GOSISDBHSA-N 1 1 368.861 1.534 50 0 FDAAMO CC[C@H]1CN(C(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)CC[NH2+]1 ZINC000067740900 523566823 /nfs/dbraw/zinc/56/68/23/523566823.db2.gz BIZUEQDGMJERSR-LBPRGKRZSA-N 1 1 358.398 1.541 50 0 FDAAMO Cn1nc(C2CCN(c3cc(N)[nH+]cn3)CC2)n(Cc2ccccc2)c1=O ZINC000067833356 523600697 /nfs/dbraw/zinc/60/06/97/523600697.db2.gz PREMNUSQUGOMIM-UHFFFAOYSA-N 1 1 365.441 1.386 50 0 FDAAMO Cc1nn2cc(C[NH2+]C[C@]3(O)CCCN(CC(C)(C)C)C3=O)nc2s1 ZINC000067948030 523645164 /nfs/dbraw/zinc/64/51/64/523645164.db2.gz BGNCKHUUIOHEKA-QGZVFWFLSA-N 1 1 365.503 1.588 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+](C)CCN(C)C)C2=O)c1 ZINC000067955681 523646798 /nfs/dbraw/zinc/64/67/98/523646798.db2.gz GZDCLEOHANOZLT-IBGZPJMESA-N 1 1 367.465 1.181 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+](C)CCN(C)C)C2=O)c1 ZINC000067955681 523646811 /nfs/dbraw/zinc/64/68/11/523646811.db2.gz GZDCLEOHANOZLT-IBGZPJMESA-N 1 1 367.465 1.181 50 0 FDAAMO COc1ccccc1-n1cc(CNC(=O)[C@H]([NH3+])c2c(C)n[nH]c2C)cn1 ZINC000091536018 524304292 /nfs/dbraw/zinc/30/42/92/524304292.db2.gz QMLQIPZCYDEFPD-QGZVFWFLSA-N 1 1 354.414 1.537 50 0 FDAAMO CCOCCOc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000084802731 524332195 /nfs/dbraw/zinc/33/21/95/524332195.db2.gz DKDHAYKERTZALH-HOTGVXAUSA-N 1 1 368.499 1.959 50 0 FDAAMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)N(C)c1nccn2cnnc12 ZINC000089929795 524549027 /nfs/dbraw/zinc/54/90/27/524549027.db2.gz LYXKPEYCWSHLCJ-LSDHHAIUSA-N 1 1 359.478 1.187 50 0 FDAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000091270230 524686776 /nfs/dbraw/zinc/68/67/76/524686776.db2.gz GGUNIZBIBUEFLB-IBGZPJMESA-N 1 1 362.493 1.890 50 0 FDAAMO CN(CCC(=O)N1CCCN(c2ccc(F)cc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000091270230 524686782 /nfs/dbraw/zinc/68/67/82/524686782.db2.gz GGUNIZBIBUEFLB-IBGZPJMESA-N 1 1 362.493 1.890 50 0 FDAAMO CN(CCC(=O)N1CCCN(c2ccc(F)cc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000091270230 524686790 /nfs/dbraw/zinc/68/67/90/524686790.db2.gz GGUNIZBIBUEFLB-IBGZPJMESA-N 1 1 362.493 1.890 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)C2 ZINC000091270163 524687828 /nfs/dbraw/zinc/68/78/28/524687828.db2.gz RZYQXIXPIJDCLW-TZMCWYRMSA-N 1 1 356.426 1.163 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnccn1)CC2 ZINC000091505861 524720319 /nfs/dbraw/zinc/72/03/19/524720319.db2.gz NWMJFQZXBPSRSN-UHFFFAOYSA-N 1 1 354.458 1.845 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCOc1ccccc1)C2 ZINC000091587039 524733635 /nfs/dbraw/zinc/73/36/35/524733635.db2.gz KSPNNOGEIPDQIK-DLBZAZTESA-N 1 1 359.470 1.467 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCOc1ccccc1)C2 ZINC000091587039 524733638 /nfs/dbraw/zinc/73/36/38/524733638.db2.gz KSPNNOGEIPDQIK-DLBZAZTESA-N 1 1 359.470 1.467 50 0 FDAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccccc1)CC2 ZINC000091645528 524752213 /nfs/dbraw/zinc/75/22/13/524752213.db2.gz IBYOHWXHHTXPMR-UHFFFAOYSA-N 1 1 360.483 1.719 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000091657413 524754013 /nfs/dbraw/zinc/75/40/13/524754013.db2.gz JUHGZFSYTKHAGN-DOTOQJQBSA-N 1 1 368.481 1.513 50 0 FDAAMO CC[N@H+](C)C[C@@H]1CN(C(=O)CN2CCC(c3ccccc3)CC2)C[C@@H]1CO ZINC000091664502 524756471 /nfs/dbraw/zinc/75/64/71/524756471.db2.gz UCIBXTFSAGKMAM-NHCUHLMSSA-N 1 1 373.541 1.885 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)CN2CCC(c3ccccc3)CC2)C[C@@H]1CO ZINC000091664502 524756479 /nfs/dbraw/zinc/75/64/79/524756479.db2.gz UCIBXTFSAGKMAM-NHCUHLMSSA-N 1 1 373.541 1.885 50 0 FDAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082083220 524779311 /nfs/dbraw/zinc/77/93/11/524779311.db2.gz YTUIYEDWSQBLAI-HXUWFJFHSA-N 1 1 362.470 1.988 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@H]1CO ZINC000091780900 524781129 /nfs/dbraw/zinc/78/11/29/524781129.db2.gz IDMAXOBHYAJWSE-GHMZBOCLSA-N 1 1 362.804 1.223 50 0 FDAAMO O=C(CCn1ncc2ccc(Cl)cc21)NCCC[NH+]1CCOCC1 ZINC000096182001 525147400 /nfs/dbraw/zinc/14/74/00/525147400.db2.gz BMPHEPDCQXEFAZ-UHFFFAOYSA-N 1 1 350.850 1.918 50 0 FDAAMO COC(=O)CC[NH+]1CCN(C(=O)/C=C\c2ccc(C(=O)OC)cc2)CC1 ZINC000096313954 525159168 /nfs/dbraw/zinc/15/91/68/525159168.db2.gz KHZAWYQBYZQNNC-YVMONPNESA-N 1 1 360.410 1.194 50 0 FDAAMO CS(=O)(=O)CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000103140976 525329541 /nfs/dbraw/zinc/32/95/41/525329541.db2.gz PLTGZEIIEOHUSY-UHFFFAOYSA-N 1 1 359.879 1.820 50 0 FDAAMO COC(=O)[C@H](C(OC)OC)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000170607410 525640835 /nfs/dbraw/zinc/64/08/35/525640835.db2.gz VCONXPICXFLWNH-GOSISDBHSA-N 1 1 364.486 1.991 50 0 FDAAMO CCc1ccc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CCOC)CC3)nc1 ZINC000107998616 525930697 /nfs/dbraw/zinc/93/06/97/525930697.db2.gz JWPYCGMQIBQQLC-OAQYLSRUSA-N 1 1 374.529 1.789 50 0 FDAAMO O[C@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019790678 526289503 /nfs/dbraw/zinc/28/95/03/526289503.db2.gz BAACYSBXMMPPIF-SFHVURJKSA-N 1 1 370.449 1.973 50 0 FDAAMO Cc1nnc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)o1 ZINC000244764106 526334329 /nfs/dbraw/zinc/33/43/29/526334329.db2.gz PBKCAVAVICMRBH-WKILWMFISA-N 1 1 362.474 1.886 50 0 FDAAMO OC[C@@]1(O)CCC[N@@H+](Cc2ccccc2OCCCN2CCOCC2)C1 ZINC000216374929 527605918 /nfs/dbraw/zinc/60/59/18/527605918.db2.gz JHAKGCAUZANMQE-HXUWFJFHSA-N 1 1 364.486 1.107 50 0 FDAAMO COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H]3COCC[N@H+](C)[C@@H]3C2)c1 ZINC000257190746 537252824 /nfs/dbraw/zinc/25/28/24/537252824.db2.gz OYWOJAWRTYBPKH-UKRRQHHQSA-N 1 1 370.471 1.045 50 0 FDAAMO COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H]3COCC[N@@H+](C)[C@@H]3C2)c1 ZINC000257190746 537252825 /nfs/dbraw/zinc/25/28/25/537252825.db2.gz OYWOJAWRTYBPKH-UKRRQHHQSA-N 1 1 370.471 1.045 50 0 FDAAMO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(N3CCCS3(=O)=O)CC2)C1=O ZINC000334041252 537367603 /nfs/dbraw/zinc/36/76/03/537367603.db2.gz OMHFNVJSRDJPIP-INIZCTEOSA-N 1 1 371.547 1.523 50 0 FDAAMO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000216206061 537445996 /nfs/dbraw/zinc/44/59/96/537445996.db2.gz SYGQJEXKGJBFOF-CYBMUJFWSA-N 1 1 357.414 1.170 50 0 FDAAMO CC(C)(C)NC(=O)COc1ccc(C[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000216533197 537450321 /nfs/dbraw/zinc/45/03/21/537450321.db2.gz WYDAKTVTXFNCHH-HXUWFJFHSA-N 1 1 364.486 1.689 50 0 FDAAMO Cc1cccc(CC[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 ZINC000218920539 537469176 /nfs/dbraw/zinc/46/91/76/537469176.db2.gz TUCZDHUHPIZMJV-FQEVSTJZSA-N 1 1 366.469 1.850 50 0 FDAAMO Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000219899841 537481322 /nfs/dbraw/zinc/48/13/22/537481322.db2.gz YAPLRMCFDBHBLO-MRXNPFEDSA-N 1 1 364.413 1.380 50 0 FDAAMO Cc1ccc2nc(SCC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)[nH]c2c1 ZINC000223382032 537525165 /nfs/dbraw/zinc/52/51/65/537525165.db2.gz MPDFAXDBBVHZGY-GLZXHMCRSA-N 1 1 360.483 1.797 50 0 FDAAMO CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCOCC1 ZINC000225462386 537549185 /nfs/dbraw/zinc/54/91/85/537549185.db2.gz DHTATQQFEKFZSJ-IEBWSBKVSA-N 1 1 369.550 1.741 50 0 FDAAMO COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1OC ZINC000230285826 537579596 /nfs/dbraw/zinc/57/95/96/537579596.db2.gz RHKCKTMFDARNKO-SQWLQELKSA-N 1 1 350.459 1.801 50 0 FDAAMO CC(C)=CC[N@@H+]1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccccc1 ZINC000299776323 537594128 /nfs/dbraw/zinc/59/41/28/537594128.db2.gz ANMYDPBGPIYKAR-ROUUACIJSA-N 1 1 354.458 1.614 50 0 FDAAMO CC(C)=CC[N@H+]1C[C@@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccccc1 ZINC000299776323 537594134 /nfs/dbraw/zinc/59/41/34/537594134.db2.gz ANMYDPBGPIYKAR-ROUUACIJSA-N 1 1 354.458 1.614 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000244659814 537648647 /nfs/dbraw/zinc/64/86/47/537648647.db2.gz HJFNKCSUTLYZSF-HNNXBMFYSA-N 1 1 358.486 1.820 50 0 FDAAMO C[N@H+](CCC(=O)NC1(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000244840370 537653643 /nfs/dbraw/zinc/65/36/43/537653643.db2.gz ULZCGAFPHJEXLS-HNNXBMFYSA-N 1 1 370.902 1.954 50 0 FDAAMO C[N@@H+](CCC(=O)NC1(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000244840370 537653647 /nfs/dbraw/zinc/65/36/47/537653647.db2.gz ULZCGAFPHJEXLS-HNNXBMFYSA-N 1 1 370.902 1.954 50 0 FDAAMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 ZINC000579486986 550878702 /nfs/dbraw/zinc/87/87/02/550878702.db2.gz CYZCNNHPJUOEIA-BBWFWOEESA-N 1 1 374.485 1.543 50 0 FDAAMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 ZINC000579486986 550878704 /nfs/dbraw/zinc/87/87/04/550878704.db2.gz CYZCNNHPJUOEIA-BBWFWOEESA-N 1 1 374.485 1.543 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3nc4c(cnn4C)c(N)n3)cc2)CC1 ZINC000584895809 551566517 /nfs/dbraw/zinc/56/65/17/551566517.db2.gz AQSQVVJGOKXHSW-UHFFFAOYSA-N 1 1 365.441 1.390 50 0 FDAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)n1 ZINC000426488354 570608819 /nfs/dbraw/zinc/60/88/19/570608819.db2.gz NTOFGXIQPJKXKK-KRWDZBQOSA-N 1 1 356.474 1.645 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)[nH]c(=O)n1 ZINC000230559366 571096285 /nfs/dbraw/zinc/09/62/85/571096285.db2.gz HMZQMQDZLLRVFT-MRXNPFEDSA-N 1 1 364.490 1.133 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000243893808 571112799 /nfs/dbraw/zinc/11/27/99/571112799.db2.gz AUMOBXJRLDIJOZ-MRXNPFEDSA-N 1 1 364.921 1.920 50 0 FDAAMO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)nc(N)n1 ZINC000243957104 571112978 /nfs/dbraw/zinc/11/29/78/571112978.db2.gz CFSMSFOCSRMIDN-UHFFFAOYSA-N 1 1 354.458 1.925 50 0 FDAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)nc(N)n1 ZINC000243957104 571112979 /nfs/dbraw/zinc/11/29/79/571112979.db2.gz CFSMSFOCSRMIDN-UHFFFAOYSA-N 1 1 354.458 1.925 50 0 FDAAMO COCCc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3nccs3)C2)n1 ZINC000244795356 571116890 /nfs/dbraw/zinc/11/68/90/571116890.db2.gz REVDUSBYLHHRQI-GFCCVEGCSA-N 1 1 365.459 1.923 50 0 FDAAMO COc1ccc2c(c1)CCN(C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000244794921 571117065 /nfs/dbraw/zinc/11/70/65/571117065.db2.gz QWMWFEGBJLRBSO-INIZCTEOSA-N 1 1 366.483 1.089 50 0 FDAAMO COc1ccc2c(c1)CCN(C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)C2 ZINC000244794921 571117066 /nfs/dbraw/zinc/11/70/66/571117066.db2.gz QWMWFEGBJLRBSO-INIZCTEOSA-N 1 1 366.483 1.089 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCc2[nH]c(-c3ccc(OC)nc3)nc2C1 ZINC000252482237 571131867 /nfs/dbraw/zinc/13/18/67/571131867.db2.gz DBHNXAJQLLQZGW-UHFFFAOYSA-N 1 1 366.425 1.824 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000426475599 571138207 /nfs/dbraw/zinc/13/82/07/571138207.db2.gz XYQTWUBEDFEXEM-MRXNPFEDSA-N 1 1 370.505 1.553 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000299756030 571192167 /nfs/dbraw/zinc/19/21/67/571192167.db2.gz ANMIVMJVRBYMAQ-KRWDZBQOSA-N 1 1 361.461 1.964 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000299756030 571192168 /nfs/dbraw/zinc/19/21/68/571192168.db2.gz ANMIVMJVRBYMAQ-KRWDZBQOSA-N 1 1 361.461 1.964 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000299765812 571194623 /nfs/dbraw/zinc/19/46/23/571194623.db2.gz BPPUTARENASHFV-OAHLLOKOSA-N 1 1 362.474 1.665 50 0 FDAAMO Cn1c(CNC(=O)C[N@@H+]2CCC[C@H](O)C2)nc2cc(C(F)(F)F)ccc21 ZINC000299770976 571195739 /nfs/dbraw/zinc/19/57/39/571195739.db2.gz OTIXDKNBZXCBEM-LBPRGKRZSA-N 1 1 370.375 1.665 50 0 FDAAMO Cn1c(CNC(=O)C[N@H+]2CCC[C@H](O)C2)nc2cc(C(F)(F)F)ccc21 ZINC000299770976 571195741 /nfs/dbraw/zinc/19/57/41/571195741.db2.gz OTIXDKNBZXCBEM-LBPRGKRZSA-N 1 1 370.375 1.665 50 0 FDAAMO OCCNc1nc(NCc2cnc3c(c2)CCC3)cc([C@H]2CCOC2)[nH+]1 ZINC000299783960 571198980 /nfs/dbraw/zinc/19/89/80/571198980.db2.gz KQXZUFUWDHRJCF-HNNXBMFYSA-N 1 1 355.442 1.881 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000426369978 571215922 /nfs/dbraw/zinc/21/59/22/571215922.db2.gz RBQGEZLURUQQLE-GOSISDBHSA-N 1 1 374.485 1.001 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000426371014 571216441 /nfs/dbraw/zinc/21/64/41/571216441.db2.gz MXOFTVDBRAPKHE-OAHLLOKOSA-N 1 1 350.426 1.685 50 0 FDAAMO CC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3cccc(OC)c3)C(=O)C2)C1 ZINC000426590039 571232652 /nfs/dbraw/zinc/23/26/52/571232652.db2.gz UFTVPUOTKQHEKP-QGZVFWFLSA-N 1 1 374.485 1.391 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000426599570 571233044 /nfs/dbraw/zinc/23/30/44/571233044.db2.gz LFHOEHSBBQZVEU-KRWDZBQOSA-N 1 1 371.485 1.733 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(OC)c(C)cc2C)C1 ZINC000670443505 571349360 /nfs/dbraw/zinc/34/93/60/571349360.db2.gz JSADMVQEDPYLGH-OAHLLOKOSA-N 1 1 356.488 1.559 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000670453464 571352803 /nfs/dbraw/zinc/35/28/03/571352803.db2.gz XIFXMQIMDPNGOT-HNNXBMFYSA-N 1 1 351.491 1.110 50 0 FDAAMO CC(C)CN1C[C@@H](OCc2cccc(F)c2)C[N@@H+]([C@@H](C)CO)CC1=O ZINC000014543136 670625445 /nfs/dbraw/zinc/62/54/45/670625445.db2.gz WVHVMRQHOUPREX-YJBOKZPZSA-N 1 1 352.450 1.892 50 0 FDAAMO CC(C)CN1C[C@@H](OCc2cccc(F)c2)C[N@H+]([C@@H](C)CO)CC1=O ZINC000014543136 670625450 /nfs/dbraw/zinc/62/54/50/670625450.db2.gz WVHVMRQHOUPREX-YJBOKZPZSA-N 1 1 352.450 1.892 50 0 FDAAMO Cn1cc(C[N@H+](C)CCn2c(=O)oc3cccnc32)c(C(F)(F)F)n1 ZINC000093204197 671520903 /nfs/dbraw/zinc/52/09/03/671520903.db2.gz OFPNANGFNQIUPH-UHFFFAOYSA-N 1 1 355.320 1.874 50 0 FDAAMO Cn1cc(C[N@@H+](C)CCn2c(=O)oc3cccnc32)c(C(F)(F)F)n1 ZINC000093204197 671520905 /nfs/dbraw/zinc/52/09/05/671520905.db2.gz OFPNANGFNQIUPH-UHFFFAOYSA-N 1 1 355.320 1.874 50 0 FDAAMO Cc1nnc([C@@H]2CC3(C[N@H+]2CCCO)CCN(C(=O)C(C)C)CC3)o1 ZINC000257192565 672630792 /nfs/dbraw/zinc/63/07/92/672630792.db2.gz VAHVFDXXHWFZPM-HNNXBMFYSA-N 1 1 350.463 1.772 50 0 FDAAMO Cc1nnc([C@@H]2CC3(C[N@@H+]2CCCO)CCN(C(=O)C(C)C)CC3)o1 ZINC000257192565 672630797 /nfs/dbraw/zinc/63/07/97/672630797.db2.gz VAHVFDXXHWFZPM-HNNXBMFYSA-N 1 1 350.463 1.772 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(CN3CC[NH+](C(C)C)CC3)C2=O)c1 ZINC000022925757 782815158 /nfs/dbraw/zinc/81/51/58/782815158.db2.gz QHZKRBCPWFCZDI-OAQYLSRUSA-N 1 1 359.514 1.875 50 0 FDAAMO COCCN1C(=O)CC[C@@]2(C(=O)N3CC[NH+](C(C)C)CC3)CCCC=C12 ZINC000581821604 787026925 /nfs/dbraw/zinc/02/69/25/787026925.db2.gz VYSBHWMBANIXMM-FQEVSTJZSA-N 1 1 363.502 1.862 50 0 FDAAMO [NH3+]CCn1cc(C(=O)N2CCc3n[nH]c(CC4CCCCC4)c3C2)nn1 ZINC000023619765 787704357 /nfs/dbraw/zinc/70/43/57/787704357.db2.gz RMPIHEQCSILXBZ-UHFFFAOYSA-N 1 1 357.462 1.281 50 0 FDAAMO Cc1cc(C[N@H+]2CCC[C@H](Cn3cc(C4(O)CCCC4)nn3)C2)n(C)n1 ZINC000020538322 792500038 /nfs/dbraw/zinc/50/00/38/792500038.db2.gz JDJAQAQBEDURRJ-INIZCTEOSA-N 1 1 358.490 1.994 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000674750966 794483421 /nfs/dbraw/zinc/48/34/21/794483421.db2.gz XWIOYUMBYWGGIA-CVEARBPZSA-N 1 1 352.504 1.636 50 0 FDAAMO COc1cc(CN2CCN(c3cc[nH+]c(N)n3)C[C@H]2CCO)cc(OC)c1 ZINC000257371939 794885668 /nfs/dbraw/zinc/88/56/68/794885668.db2.gz QOICSPKRWWXVRI-OAHLLOKOSA-N 1 1 373.457 1.149 50 0 FDAAMO CN(C)C(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CC[N@@H+](Cc1ccccc1)C2 ZINC000675010899 795210859 /nfs/dbraw/zinc/21/08/59/795210859.db2.gz NPHKVPQJDKGYAM-AEFFLSMTSA-N 1 1 365.499 1.001 50 0 FDAAMO CC[N@H+]1CC[C@H](N(C)c2ncnc3c2ncn3C[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000888097640 808184815 /nfs/dbraw/zinc/18/48/15/808184815.db2.gz LVAOVQCOTHPBLR-DOXZYTNZSA-N 1 1 374.489 1.144 50 0 FDAAMO CCn1cncc1C[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426552080 810662948 /nfs/dbraw/zinc/66/29/48/810662948.db2.gz WRIBEYFSCHQVIU-MRXNPFEDSA-N 1 1 373.505 1.243 50 0 FDAAMO Cc1ncc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1C ZINC000426602549 811023834 /nfs/dbraw/zinc/02/38/34/811023834.db2.gz SDKPWNBPJVLMHQ-MRXNPFEDSA-N 1 1 373.505 1.069 50 0 FDAAMO CCN1C[C@@]2(CCCN(C(=O)CC[N@H+]3CCCN(C)CC3)C2)CCC1=O ZINC000082109074 847985368 /nfs/dbraw/zinc/98/53/68/847985368.db2.gz NPPARKOGIMAHBC-HXUWFJFHSA-N 1 1 364.534 1.265 50 0 FDAAMO CCN1C[C@@]2(CCCN(C(=O)CCN3CCC[N@H+](C)CC3)C2)CCC1=O ZINC000082109074 847985375 /nfs/dbraw/zinc/98/53/75/847985375.db2.gz NPPARKOGIMAHBC-HXUWFJFHSA-N 1 1 364.534 1.265 50 0 FDAAMO CCN1C[C@@]2(CCCN(C(=O)CCN3CCC[N@@H+](C)CC3)C2)CCC1=O ZINC000082109074 847985380 /nfs/dbraw/zinc/98/53/80/847985380.db2.gz NPPARKOGIMAHBC-HXUWFJFHSA-N 1 1 364.534 1.265 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2Cn3cccc3C(=O)N2Cc2cccnc2)CC1 ZINC000169774929 855454736 /nfs/dbraw/zinc/45/47/36/855454736.db2.gz PRNDRSKJCQHPAD-GOSISDBHSA-N 1 1 367.453 1.072 50 0 FDAAMO Cc1c(C(=O)NCc2nc3ccc(F)cc3[nH]2)nnn1C1CC[NH2+]CC1 ZINC000168732191 864137641 /nfs/dbraw/zinc/13/76/41/864137641.db2.gz OTXHUCBAXQFLHE-UHFFFAOYSA-N 1 1 357.393 1.456 50 0 FDAAMO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cnccn2)no1 ZINC000011998472 873079022 /nfs/dbraw/zinc/07/90/22/873079022.db2.gz UCEHHUCHGBDZFB-AWEZNQCLSA-N 1 1 356.430 1.894 50 0 FDAAMO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cnccn2)no1 ZINC000011998472 873079039 /nfs/dbraw/zinc/07/90/39/873079039.db2.gz UCEHHUCHGBDZFB-AWEZNQCLSA-N 1 1 356.430 1.894 50 0 FDAAMO CC(C)CN1C[C@@H](C(=O)Nc2ccccc2NC(=O)C[NH+](C)C)CC1=O ZINC000821236041 919590925 /nfs/dbraw/zinc/59/09/25/919590925.db2.gz CMRDAEZZRQIQQV-AWEZNQCLSA-N 1 1 360.458 1.630 50 0 FDAAMO NC(=O)Cc1nc([C@@H]2CCC[N@@H+](Cc3ccco3)C2)n(CC(F)(F)F)n1 ZINC000826841929 924329633 /nfs/dbraw/zinc/32/96/33/924329633.db2.gz FAVXEHLHWZQGRH-LLVKDONJSA-N 1 1 371.363 1.841 50 0 FDAAMO O=C(CN1CCOCC1)NC[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000827836836 924759617 /nfs/dbraw/zinc/75/96/17/924759617.db2.gz KAMSSRMDOWZUBY-SFHVURJKSA-N 1 1 370.497 1.828 50 0 FDAAMO Cc1nccn1CCN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000828256328 924858565 /nfs/dbraw/zinc/85/85/65/924858565.db2.gz YXEWAVKZIAWOOY-HXUWFJFHSA-N 1 1 359.518 1.600 50 0 FDAAMO CS(=O)(=O)N1CC[C@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000581783248 927576775 /nfs/dbraw/zinc/57/67/75/927576775.db2.gz MDEDQMUDMRTCAI-QGZVFWFLSA-N 1 1 365.499 1.002 50 0 FDAAMO CC(C)N1C(=O)C(CC(=O)NCCC[NH+]2CCOCC2)=C2CCCC[C@H]21 ZINC000581792513 927591555 /nfs/dbraw/zinc/59/15/55/927591555.db2.gz IHYIBSSDBXDGAP-GOSISDBHSA-N 1 1 363.502 1.705 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)CCCN2CCCCC2=O)C[C@@H]1CCO ZINC000952962738 960245595 /nfs/dbraw/zinc/24/55/95/960245595.db2.gz HEEOHFZZTOYMBD-KRWDZBQOSA-N 1 1 353.507 1.330 50 0 FDAAMO O=C(/C=C/c1cc(CO)cs1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000952966368 960253768 /nfs/dbraw/zinc/25/37/68/960253768.db2.gz UWZAPFDATLHSNQ-APHBUQMISA-N 1 1 350.484 1.967 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCc2nc(-c3ccccc3)cs2)C1 ZINC000952971028 960265254 /nfs/dbraw/zinc/26/52/54/960265254.db2.gz QLKCDIGRYNMZMD-OAHLLOKOSA-N 1 1 372.494 1.666 50 0 FDAAMO Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952975683 960271932 /nfs/dbraw/zinc/27/19/32/960271932.db2.gz JXQKZJQCPLQVSX-RHSMWYFYSA-N 1 1 369.469 1.434 50 0 FDAAMO C[C@H]1CCC(=O)N1c1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952978219 960275968 /nfs/dbraw/zinc/27/59/68/960275968.db2.gz PVRCJWCAVYLMLF-UONOGXRCSA-N 1 1 358.442 1.338 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)CCN2CCCCCC2=O)C[C@H]1CCO ZINC000952966726 960282136 /nfs/dbraw/zinc/28/21/36/960282136.db2.gz FZIFUNCAOFIPPJ-QGZVFWFLSA-N 1 1 353.507 1.330 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 ZINC000952969035 960285207 /nfs/dbraw/zinc/28/52/07/960285207.db2.gz HNCKMMHDLOQMOD-KRWDZBQOSA-N 1 1 355.482 1.690 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000952981340 960294481 /nfs/dbraw/zinc/29/44/81/960294481.db2.gz SQJKUFFZXSQPFV-NSHDSACASA-N 1 1 361.339 1.658 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)NCC1CCN(c2ccc(C)nn2)CC1 ZINC000952982032 960296848 /nfs/dbraw/zinc/29/68/48/960296848.db2.gz NQFKCRGINSOQGL-UHFFFAOYSA-N 1 1 356.474 1.967 50 0 FDAAMO C[N@H+](CCC(=O)Nc1ccc2scnc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000952989635 960315287 /nfs/dbraw/zinc/31/52/87/960315287.db2.gz NWFUFXBZAKNCRV-LBPRGKRZSA-N 1 1 353.469 1.744 50 0 FDAAMO C[N@@H+](CCC(=O)Nc1ccc2scnc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000952989635 960315294 /nfs/dbraw/zinc/31/52/94/960315294.db2.gz NWFUFXBZAKNCRV-LBPRGKRZSA-N 1 1 353.469 1.744 50 0 FDAAMO C[N@H+]1CCN(Cc2cc(=O)c3cccc(F)c3[nH]2)C[C@]12CCNC(=O)CC2 ZINC000095391400 1013846122 /nfs/dbraw/zinc/84/61/22/1013846122.db2.gz HQGMQYHVURAATO-FQEVSTJZSA-N 1 1 372.444 1.454 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000111567713 999115249 /nfs/dbraw/zinc/11/52/49/999115249.db2.gz GLFIOXDOWNGVEN-AWEZNQCLSA-N 1 1 355.442 1.575 50 0 FDAAMO CCC[C@H]1CN(Cc2nc3ccccc3c(=O)n2C)CC[N@H+]1CCOC ZINC000121917172 999759386 /nfs/dbraw/zinc/75/93/86/999759386.db2.gz JQAZEZRECPKBCX-INIZCTEOSA-N 1 1 358.486 1.866 50 0 FDAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000122215067 999804540 /nfs/dbraw/zinc/80/45/40/999804540.db2.gz WGVSLKZMCOGAHF-GOSISDBHSA-N 1 1 369.469 1.963 50 0 FDAAMO C[N@@H+](CCCO)C1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000249386262 1008203181 /nfs/dbraw/zinc/20/31/81/1008203181.db2.gz WSJQLWSUSDQFBK-KRWDZBQOSA-N 1 1 363.506 1.111 50 0 FDAAMO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099375 209360636 /nfs/dbraw/zinc/36/06/36/209360636.db2.gz SBVCEHBYPDXHIO-RDJZCZTQSA-N 1 1 351.878 1.391 50 0 FDAAMO Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCN4CCN(C)C(=O)[C@H]4C3)[nH]c12 ZINC000107702624 209279330 /nfs/dbraw/zinc/27/93/30/209279330.db2.gz SRVISMFFNZVXDZ-MRXNPFEDSA-N 1 1 354.454 1.515 50 0 FDAAMO Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCN4CCN(C)C(=O)[C@H]4C3)[nH]c12 ZINC000107702624 209279334 /nfs/dbraw/zinc/27/93/34/209279334.db2.gz SRVISMFFNZVXDZ-MRXNPFEDSA-N 1 1 354.454 1.515 50 0 FDAAMO CC(C)[C@H](C(=O)NCCC(=O)Nc1ccccn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153856 209272509 /nfs/dbraw/zinc/27/25/09/209272509.db2.gz OTWLHXKMWPPDSM-RVKKMQEKSA-N 1 1 362.474 1.660 50 0 FDAAMO CC(C)[C@H](C(=O)NCCC(=O)Nc1ccccn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153856 209272511 /nfs/dbraw/zinc/27/25/11/209272511.db2.gz OTWLHXKMWPPDSM-RVKKMQEKSA-N 1 1 362.474 1.660 50 0 FDAAMO O=C([C@H]1CCC(=O)NC(=O)N1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000097492463 209183000 /nfs/dbraw/zinc/18/30/00/209183000.db2.gz LSKRYRSEKSLSKO-QGZVFWFLSA-N 1 1 372.469 1.142 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2cnc3c(O)cccn3c2=O)CC1 ZINC000097334174 209178144 /nfs/dbraw/zinc/17/81/44/209178144.db2.gz FWYHLKDQXMVJGW-UHFFFAOYSA-N 1 1 353.382 1.115 50 0 FDAAMO O=S(=O)(N1CCCC1)N1CCC[N@@H+](Cc2cccc3nonc32)CC1 ZINC000097117653 209171243 /nfs/dbraw/zinc/17/12/43/209171243.db2.gz NYLDADIIMGKNOF-UHFFFAOYSA-N 1 1 365.459 1.071 50 0 FDAAMO Cn1nc(-c2ccccc2)cc1NC(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000096136303 209118188 /nfs/dbraw/zinc/11/81/88/209118188.db2.gz XATUKOHHBXCTTC-HNNXBMFYSA-N 1 1 370.457 1.406 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C2CC2)[C@H](O)C1 ZINC000299758704 206634073 /nfs/dbraw/zinc/63/40/73/206634073.db2.gz OOLTXHFAFBVJSX-SJLPKXTDSA-N 1 1 358.442 1.793 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cccn2C2CC2)[C@H](O)C1 ZINC000299758704 206634078 /nfs/dbraw/zinc/63/40/78/206634078.db2.gz OOLTXHFAFBVJSX-SJLPKXTDSA-N 1 1 358.442 1.793 50 0 FDAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000002405926 206913192 /nfs/dbraw/zinc/91/31/92/206913192.db2.gz VLIXPVZDBZWYJY-PMPSAXMXSA-N 1 1 359.426 1.591 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000004712199 207040888 /nfs/dbraw/zinc/04/08/88/207040888.db2.gz AIFQLANRLDQALE-IRXDYDNUSA-N 1 1 373.563 1.819 50 0 FDAAMO CCCCn1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004810109 207050119 /nfs/dbraw/zinc/05/01/19/207050119.db2.gz GBSIJVCCMKWTAN-OKILXGFUSA-N 1 1 361.490 1.712 50 0 FDAAMO CCCCn1c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004810109 207050125 /nfs/dbraw/zinc/05/01/25/207050125.db2.gz GBSIJVCCMKWTAN-OKILXGFUSA-N 1 1 361.490 1.712 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC[NH2+]1 ZINC000187156718 207197958 /nfs/dbraw/zinc/19/79/58/207197958.db2.gz MYEZMDPTZKFKHJ-SSDOTTSWSA-N 1 1 355.204 1.710 50 0 FDAAMO C[N@@H+](C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O)C1CCOCC1 ZINC000011841970 207325509 /nfs/dbraw/zinc/32/55/09/207325509.db2.gz WPIVTGYZIXSNTI-IBGZPJMESA-N 1 1 368.424 1.929 50 0 FDAAMO COc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000036548216 208163924 /nfs/dbraw/zinc/16/39/24/208163924.db2.gz CCOUWMFEJPMSFF-UGSOOPFHSA-N 1 1 353.422 1.853 50 0 FDAAMO Cc1c(Br)cnn1[C@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000036611039 208165284 /nfs/dbraw/zinc/16/52/84/208165284.db2.gz HXQTXEVGKAJIFW-GFCCVEGCSA-N 1 1 359.268 1.354 50 0 FDAAMO CCOC(=O)c1c(C)[nH]c(CCC(=O)NCCC[NH+]2CCOCC2)c1C ZINC000075352807 208194238 /nfs/dbraw/zinc/19/42/38/208194238.db2.gz UNVIAVUSVWGYBN-UHFFFAOYSA-N 1 1 365.474 1.579 50 0 FDAAMO O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000040079564 208222979 /nfs/dbraw/zinc/22/29/79/208222979.db2.gz OKMLQYSQSGRQMI-WMZOPIPTSA-N 1 1 357.454 1.363 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCN(C(=O)c1cnccn1)C1CC1 ZINC000040373406 208248866 /nfs/dbraw/zinc/24/88/66/208248866.db2.gz OHBJWUAAWGTCKF-MRXNPFEDSA-N 1 1 373.501 1.852 50 0 FDAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1cccnc1 ZINC000044900488 208320064 /nfs/dbraw/zinc/32/00/64/208320064.db2.gz PTNIGXCNTGJNEU-UHFFFAOYSA-N 1 1 353.426 1.548 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCNC(=O)C2CCCC2)ccn1 ZINC000048239167 208391723 /nfs/dbraw/zinc/39/17/23/208391723.db2.gz MSHWVRMGYIQAAN-UHFFFAOYSA-N 1 1 355.442 1.888 50 0 FDAAMO CN(C)c1nc(-c2cccnc2)nc2c1CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC000072151700 208811385 /nfs/dbraw/zinc/81/13/85/208811385.db2.gz NTHGDHPYMCJSSX-HNNXBMFYSA-N 1 1 366.469 1.441 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)CCN2Cc3ccccc3C2=O)C[C@@H]1CO ZINC000091973894 209008800 /nfs/dbraw/zinc/00/88/00/209008800.db2.gz BRFRVAXZLHHNMC-IAGOWNOFSA-N 1 1 359.470 1.051 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2CN(c3nc4ccccc4s3)C[C@@H]2CO)CC1 ZINC000095355289 209024567 /nfs/dbraw/zinc/02/45/67/209024567.db2.gz WZZUHTJZCOGWAQ-HZPDHXFCSA-N 1 1 360.527 1.979 50 0 FDAAMO O=C(CN1CCC(c2ccccc2)CC1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000095363209 209029374 /nfs/dbraw/zinc/02/93/74/209029374.db2.gz FMPLNUCCCQIREX-FPOVZHCZSA-N 1 1 357.498 1.439 50 0 FDAAMO O=C1N(CCO)CCC[C@]12CC[N@@H+](Cc1nnc(-c3cccc(F)c3)o1)C2 ZINC000092062018 209014803 /nfs/dbraw/zinc/01/48/03/209014803.db2.gz CPYDZKAOVLKQHU-LJQANCHMSA-N 1 1 374.416 1.683 50 0 FDAAMO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)CN2CCC(c3ccccc3)CC2)C1 ZINC000092061545 209015360 /nfs/dbraw/zinc/01/53/60/209015360.db2.gz QYKOVCPASSABDD-RTBURBONSA-N 1 1 373.541 1.885 50 0 FDAAMO COCCc1noc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000095386021 209043886 /nfs/dbraw/zinc/04/38/86/209043886.db2.gz ZZEMKNGWXSRGBJ-CQSZACIVSA-N 1 1 358.442 1.664 50 0 FDAAMO COCCc1noc(CN(C)C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000095386021 209043890 /nfs/dbraw/zinc/04/38/90/209043890.db2.gz ZZEMKNGWXSRGBJ-CQSZACIVSA-N 1 1 358.442 1.664 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCC([N@H+]3CCNC(=O)CC3)CC2)N(C)C)c1 ZINC000095371393 209035676 /nfs/dbraw/zinc/03/56/76/209035676.db2.gz UOGFUXZFAMWBDW-HXUWFJFHSA-N 1 1 372.513 1.411 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000095380448 209040564 /nfs/dbraw/zinc/04/05/64/209040564.db2.gz YVFLBGCAYXEEIS-CQSZACIVSA-N 1 1 374.880 1.789 50 0 FDAAMO CSCc1noc(CNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)n1 ZINC000095392857 209047891 /nfs/dbraw/zinc/04/78/91/209047891.db2.gz WKTMGAIYGITKLZ-GFCCVEGCSA-N 1 1 354.476 1.440 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000095392280 209047983 /nfs/dbraw/zinc/04/79/83/209047983.db2.gz BSYDQYSJCQECAG-KRWDZBQOSA-N 1 1 359.470 1.230 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000095392280 209047984 /nfs/dbraw/zinc/04/79/84/209047984.db2.gz BSYDQYSJCQECAG-KRWDZBQOSA-N 1 1 359.470 1.230 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000095476670 209059080 /nfs/dbraw/zinc/05/90/80/209059080.db2.gz AFXBZVCDVMBTNZ-OLZOCXBDSA-N 1 1 373.432 1.655 50 0 FDAAMO COc1cc(C[N@@H+](C)CC2CC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000095498448 209061390 /nfs/dbraw/zinc/06/13/90/209061390.db2.gz BUHAXHOTKFVLKK-SFHVURJKSA-N 1 1 364.486 1.609 50 0 FDAAMO CN(CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)S(C)(=O)=O ZINC000070037523 221332047 /nfs/dbraw/zinc/33/20/47/221332047.db2.gz MPTWNRANMDBBQC-UHFFFAOYSA-N 1 1 367.515 1.045 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNc2ncnc3c2Cc2ccccc2OC3)C1 ZINC000095507133 209067205 /nfs/dbraw/zinc/06/72/05/209067205.db2.gz JOQVAJNCKIDRKM-HNNXBMFYSA-N 1 1 367.453 1.569 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095509556 209068882 /nfs/dbraw/zinc/06/88/82/209068882.db2.gz WWFLPLHHCOHQNO-SFHVURJKSA-N 1 1 357.454 1.929 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(N)nc(N)n1)CC2 ZINC000091391079 132201254 /nfs/dbraw/zinc/20/12/54/132201254.db2.gz RXWFRIUAFWHHFV-UHFFFAOYSA-N 1 1 356.478 1.374 50 0 FDAAMO Cc1ccccc1CSc1nc(N2CCO[C@@H](C(N)=O)C2)cc(N)[nH+]1 ZINC000095371289 132208595 /nfs/dbraw/zinc/20/85/95/132208595.db2.gz AXKABEZBUVPKKU-CYBMUJFWSA-N 1 1 359.455 1.350 50 0 FDAAMO Cc1ccccc1CSc1nc(N)cc(N2CCO[C@@H](C(N)=O)C2)[nH+]1 ZINC000095371289 132208596 /nfs/dbraw/zinc/20/85/96/132208596.db2.gz AXKABEZBUVPKKU-CYBMUJFWSA-N 1 1 359.455 1.350 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(c3nccnc3OC)C[C@H]2CCO)c1 ZINC000106987214 132266075 /nfs/dbraw/zinc/26/60/75/132266075.db2.gz NCWAMPJFHKCFDN-MRXNPFEDSA-N 1 1 358.442 1.567 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3nccnc3OC)C[C@H]2CCO)c1 ZINC000106987214 132266076 /nfs/dbraw/zinc/26/60/76/132266076.db2.gz NCWAMPJFHKCFDN-MRXNPFEDSA-N 1 1 358.442 1.567 50 0 FDAAMO Nc1nc2n[nH]cc2c(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000106993678 132266647 /nfs/dbraw/zinc/26/66/47/132266647.db2.gz YIAQKYCIBAZLJB-CQSZACIVSA-N 1 1 353.430 1.008 50 0 FDAAMO CCOCc1cc(C[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)ccc1OC ZINC000216186847 132271054 /nfs/dbraw/zinc/27/10/54/132271054.db2.gz CTQHFOXXBYZOJC-UHFFFAOYSA-N 1 1 372.469 1.648 50 0 FDAAMO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000299760928 132297885 /nfs/dbraw/zinc/29/78/85/132297885.db2.gz SBAQJEIDRPYULN-CYBMUJFWSA-N 1 1 371.489 1.378 50 0 FDAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055060444 136125880 /nfs/dbraw/zinc/12/58/80/136125880.db2.gz YXHADJLKKFRSDX-UHFFFAOYSA-N 1 1 364.409 1.918 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3ncc(F)cn3)CC2)C1 ZINC000071524641 136139493 /nfs/dbraw/zinc/13/94/93/136139493.db2.gz GYJVTLHCQKVRKI-AWEZNQCLSA-N 1 1 365.453 1.059 50 0 FDAAMO Nc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071638967 136139582 /nfs/dbraw/zinc/13/95/82/136139582.db2.gz XNDTZGYMTCBUQG-HNNXBMFYSA-N 1 1 358.490 1.362 50 0 FDAAMO CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1C ZINC000332421182 259265567 /nfs/dbraw/zinc/26/55/67/259265567.db2.gz QNTBYHDRZVJTSQ-UHFFFAOYSA-N 1 1 370.457 1.653 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426388342 263573977 /nfs/dbraw/zinc/57/39/77/263573977.db2.gz BMQHSDVSWDTYAC-AWEZNQCLSA-N 1 1 356.426 1.283 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3nnc4n3CCCCC4)cc2C1 ZINC000426490690 263605606 /nfs/dbraw/zinc/60/56/06/263605606.db2.gz XAHMFTWVDXHFSW-UHFFFAOYSA-N 1 1 371.489 1.747 50 0 FDAAMO CC(C)Cn1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000006309078 518367507 /nfs/dbraw/zinc/36/75/07/518367507.db2.gz NNNSMMBMHMGFEU-KBPBESRZSA-N 1 1 361.490 1.568 50 0 FDAAMO CNC(=O)[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2C)c2ccccc2O1 ZINC000009053966 518495120 /nfs/dbraw/zinc/49/51/20/518495120.db2.gz XHNWTBHVQZODMG-LJQANCHMSA-N 1 1 367.449 1.967 50 0 FDAAMO CNC(=O)[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2C)c2ccccc2O1 ZINC000009053966 518495127 /nfs/dbraw/zinc/49/51/27/518495127.db2.gz XHNWTBHVQZODMG-LJQANCHMSA-N 1 1 367.449 1.967 50 0 FDAAMO COc1ccc(/C=C\C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1OC ZINC000012444488 518614415 /nfs/dbraw/zinc/61/44/15/518614415.db2.gz QRIMLRQAVZZNKY-ALCCZGGFSA-N 1 1 356.426 1.799 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000012848839 518639486 /nfs/dbraw/zinc/63/94/86/518639486.db2.gz QWLOBDUUKUBVHX-UHFFFAOYSA-N 1 1 367.453 1.886 50 0 FDAAMO NC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc(C(N)=O)c1 ZINC000012996030 518647607 /nfs/dbraw/zinc/64/76/07/518647607.db2.gz NOMPONSCTBGXNN-CQSZACIVSA-N 1 1 372.450 1.722 50 0 FDAAMO NC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc(C(N)=O)c1 ZINC000012996030 518647612 /nfs/dbraw/zinc/64/76/12/518647612.db2.gz NOMPONSCTBGXNN-CQSZACIVSA-N 1 1 372.450 1.722 50 0 FDAAMO OCC[NH+]1CCN(c2nc3nccnc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000013010643 518649441 /nfs/dbraw/zinc/64/94/41/518649441.db2.gz DRHXFNXULYVNLU-UHFFFAOYSA-N 1 1 369.404 1.417 50 0 FDAAMO CC1(C)NC(=O)N(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014139849 518677372 /nfs/dbraw/zinc/67/73/72/518677372.db2.gz XNLMLFVOKIPXNH-UHFFFAOYSA-N 1 1 372.469 1.441 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCCc1ccco1 ZINC000015067241 518707325 /nfs/dbraw/zinc/70/73/25/518707325.db2.gz TUQNSHWUBVBTKZ-LJQANCHMSA-N 1 1 369.465 1.762 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCCc1ccco1 ZINC000015067241 518707330 /nfs/dbraw/zinc/70/73/30/518707330.db2.gz TUQNSHWUBVBTKZ-LJQANCHMSA-N 1 1 369.465 1.762 50 0 FDAAMO COC[C@@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422363 518757668 /nfs/dbraw/zinc/75/76/68/518757668.db2.gz DBNJIUWVIPDDJK-CYBMUJFWSA-N 1 1 374.407 1.764 50 0 FDAAMO COC[C@@H](C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422363 518757675 /nfs/dbraw/zinc/75/76/75/518757675.db2.gz DBNJIUWVIPDDJK-CYBMUJFWSA-N 1 1 374.407 1.764 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 ZINC000019527833 518817289 /nfs/dbraw/zinc/81/72/89/518817289.db2.gz ZXZGFWOZHODCHI-UHFFFAOYSA-N 1 1 353.488 1.234 50 0 FDAAMO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(CC)cc1 ZINC000019820900 518836973 /nfs/dbraw/zinc/83/69/73/518836973.db2.gz YNILANWCUMEALI-JKSUJKDBSA-N 1 1 359.513 1.578 50 0 FDAAMO COCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH+](CC(=O)[O-])CC2)[C@H]1O ZINC000020321393 518847603 /nfs/dbraw/zinc/84/76/03/518847603.db2.gz INHNBCMVDMYUDF-MOPGFXCFSA-N 1 1 362.470 1.489 50 0 FDAAMO CC[N@@H+]1CCc2nc(NC(=O)Cn3c4ccccc4n(C)c3=O)sc2C1 ZINC000021296902 518869661 /nfs/dbraw/zinc/86/96/61/518869661.db2.gz ZWPXYUUOENMDNJ-UHFFFAOYSA-N 1 1 371.466 1.813 50 0 FDAAMO CC[N@H+]1CCc2nc(NC(=O)Cn3c4ccccc4n(C)c3=O)sc2C1 ZINC000021296902 518869665 /nfs/dbraw/zinc/86/96/65/518869665.db2.gz ZWPXYUUOENMDNJ-UHFFFAOYSA-N 1 1 371.466 1.813 50 0 FDAAMO COc1ccc(CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1 ZINC000021637907 518879309 /nfs/dbraw/zinc/87/93/09/518879309.db2.gz YXMGXBJEBDRQMX-UHFFFAOYSA-N 1 1 355.442 1.475 50 0 FDAAMO COc1ccc(OCC[NH+]2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 ZINC000022781184 518911061 /nfs/dbraw/zinc/91/10/61/518911061.db2.gz NOSRPUVHEDHERY-FQEVSTJZSA-N 1 1 369.465 1.918 50 0 FDAAMO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)NC(=O)NC1CCCC1 ZINC000022821478 518913709 /nfs/dbraw/zinc/91/37/09/518913709.db2.gz WPSJONKEDBBINX-UHFFFAOYSA-N 1 1 374.485 1.451 50 0 FDAAMO COc1cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000022920008 518921752 /nfs/dbraw/zinc/92/17/52/518921752.db2.gz LTLNSZHEEQQZKC-SFHVURJKSA-N 1 1 364.486 1.751 50 0 FDAAMO O=c1cc(CN2CC[NH+](CCOc3ccccc3)CC2)nc2ccccn12 ZINC000023294964 518943586 /nfs/dbraw/zinc/94/35/86/518943586.db2.gz WSYBDXFXBPEUQN-UHFFFAOYSA-N 1 1 364.449 1.891 50 0 FDAAMO O=C(Cn1cnc2sccc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024001833 518972418 /nfs/dbraw/zinc/97/24/18/518972418.db2.gz USECVQYGSLFBMQ-UHFFFAOYSA-N 1 1 368.462 1.802 50 0 FDAAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024959516 519027181 /nfs/dbraw/zinc/02/71/81/519027181.db2.gz XZHFGNMDLIECLH-AWEZNQCLSA-N 1 1 368.389 1.504 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862174 519086920 /nfs/dbraw/zinc/08/69/20/519086920.db2.gz FJALJPJQLFXQAQ-GFCCVEGCSA-N 1 1 355.394 1.973 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862174 519086929 /nfs/dbraw/zinc/08/69/29/519086929.db2.gz FJALJPJQLFXQAQ-GFCCVEGCSA-N 1 1 355.394 1.973 50 0 FDAAMO NC(=O)CC[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000027388268 519172765 /nfs/dbraw/zinc/17/27/65/519172765.db2.gz AHOZHEAKPOGYBC-UHFFFAOYSA-N 1 1 351.406 1.660 50 0 FDAAMO CN1c2ccccc2S/C(=C/C(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000037291455 519630055 /nfs/dbraw/zinc/63/00/55/519630055.db2.gz VXNSSUHKLIDRGT-DTQAZKPQSA-N 1 1 361.467 1.478 50 0 FDAAMO O=C(CCNC(=O)c1ccco1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000040146818 519641340 /nfs/dbraw/zinc/64/13/40/519641340.db2.gz SEXLAPLSCVNQGI-UHFFFAOYSA-N 1 1 371.437 1.548 50 0 FDAAMO CC(C)CCN1C[C@@]2(CCC[N@@H+](CC(=O)N3CCOCC3)C2)CCC1=O ZINC000091503810 519654567 /nfs/dbraw/zinc/65/45/67/519654567.db2.gz HJSWNOYIDPBZLF-FQEVSTJZSA-N 1 1 365.518 1.596 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000020512597 521633912 /nfs/dbraw/zinc/63/39/12/521633912.db2.gz PJFAHERSZHZPSY-OAHLLOKOSA-N 1 1 367.453 1.640 50 0 FDAAMO CC[N@H+]1CCC[C@H](CN2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092808 521640366 /nfs/dbraw/zinc/64/03/66/521640366.db2.gz DKUGROOLZDSFPK-INIZCTEOSA-N 1 1 363.506 1.083 50 0 FDAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000057466859 522098290 /nfs/dbraw/zinc/09/82/90/522098290.db2.gz UVHQPRLARPWMGR-UHFFFAOYSA-N 1 1 367.453 1.519 50 0 FDAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000057466859 522098306 /nfs/dbraw/zinc/09/83/06/522098306.db2.gz UVHQPRLARPWMGR-UHFFFAOYSA-N 1 1 367.453 1.519 50 0 FDAAMO Cc1cccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071404021 522111281 /nfs/dbraw/zinc/11/12/81/522111281.db2.gz NYIKQWGCKYZZGV-INIZCTEOSA-N 1 1 370.497 1.985 50 0 FDAAMO Cc1ccncc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071419038 522112940 /nfs/dbraw/zinc/11/29/40/522112940.db2.gz BNQIOBBWXHLNRJ-INIZCTEOSA-N 1 1 370.497 1.985 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccccc3F)C2)CC1 ZINC000071753100 522127177 /nfs/dbraw/zinc/12/71/77/522127177.db2.gz LKUIDHQFWJCHPT-HOTGVXAUSA-N 1 1 363.433 1.122 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000071753100 522127181 /nfs/dbraw/zinc/12/71/81/522127181.db2.gz LKUIDHQFWJCHPT-HOTGVXAUSA-N 1 1 363.433 1.122 50 0 FDAAMO O=C(NC1CC1)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000072133735 522161201 /nfs/dbraw/zinc/16/12/01/522161201.db2.gz LHADDLUQPNVVHK-HNNXBMFYSA-N 1 1 355.394 1.765 50 0 FDAAMO COCCN(Cc1cccs1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000072146278 522173449 /nfs/dbraw/zinc/17/34/49/522173449.db2.gz NJZFORWXMMRJPN-OAHLLOKOSA-N 1 1 353.488 1.322 50 0 FDAAMO COCCN(Cc1cccs1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000072146278 522173456 /nfs/dbraw/zinc/17/34/56/522173456.db2.gz NJZFORWXMMRJPN-OAHLLOKOSA-N 1 1 353.488 1.322 50 0 FDAAMO OCCOCC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072149704 522174603 /nfs/dbraw/zinc/17/46/03/522174603.db2.gz KTPGADVXBJVPAZ-NSISKUIASA-N 1 1 360.454 1.286 50 0 FDAAMO OCCOCCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072149704 522174609 /nfs/dbraw/zinc/17/46/09/522174609.db2.gz KTPGADVXBJVPAZ-NSISKUIASA-N 1 1 360.454 1.286 50 0 FDAAMO Cc1ncc(C(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)c(-c2ccccc2)n1 ZINC000072156795 522183549 /nfs/dbraw/zinc/18/35/49/522183549.db2.gz LIUYXWJGGLFIKT-KRWDZBQOSA-N 1 1 365.437 1.145 50 0 FDAAMO O=S(=O)(N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)N1CCCCC1 ZINC000072157629 522186845 /nfs/dbraw/zinc/18/68/45/522186845.db2.gz IHPVBEXQVJAIRI-SFHVURJKSA-N 1 1 363.527 1.939 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cc(C(C)(C)C)n[nH]1 ZINC000072167807 522193038 /nfs/dbraw/zinc/19/30/38/522193038.db2.gz DVYCEOCRFZJMJP-HNNXBMFYSA-N 1 1 363.506 1.560 50 0 FDAAMO CCc1noc(CN(CC)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n1 ZINC000072167810 522193320 /nfs/dbraw/zinc/19/33/20/522193320.db2.gz JBXUAFKKUZMUCD-CYBMUJFWSA-N 1 1 365.478 1.217 50 0 FDAAMO CCc1noc(CN(CC)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n1 ZINC000072167810 522193325 /nfs/dbraw/zinc/19/33/25/522193325.db2.gz JBXUAFKKUZMUCD-CYBMUJFWSA-N 1 1 365.478 1.217 50 0 FDAAMO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000072171572 522200101 /nfs/dbraw/zinc/20/01/01/522200101.db2.gz ADDWPZADESMYJB-AWEZNQCLSA-N 1 1 365.478 1.216 50 0 FDAAMO CCN(Cc1noc(CC(C)C)n1)C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000072171572 522200112 /nfs/dbraw/zinc/20/01/12/522200112.db2.gz ADDWPZADESMYJB-AWEZNQCLSA-N 1 1 365.478 1.216 50 0 FDAAMO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072419424 522248622 /nfs/dbraw/zinc/24/86/22/522248622.db2.gz FSJQIHCWWBJWRF-MRXNPFEDSA-N 1 1 357.506 1.914 50 0 FDAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072419424 522248633 /nfs/dbraw/zinc/24/86/33/522248633.db2.gz FSJQIHCWWBJWRF-MRXNPFEDSA-N 1 1 357.506 1.914 50 0 FDAAMO O=C(COc1ccccc1O)N1CC[N@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000072426136 522259921 /nfs/dbraw/zinc/25/99/21/522259921.db2.gz WAOHSJSJHHIQQF-SFHVURJKSA-N 1 1 370.449 1.866 50 0 FDAAMO O=C(COc1ccccc1O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000072426136 522259930 /nfs/dbraw/zinc/25/99/30/522259930.db2.gz WAOHSJSJHHIQQF-SFHVURJKSA-N 1 1 370.449 1.866 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@](O)(CO)C2)c1OCCn1ccnc1 ZINC000072427872 522260780 /nfs/dbraw/zinc/26/07/80/522260780.db2.gz HTDFNNIADZLAIT-LJQANCHMSA-N 1 1 361.442 1.290 50 0 FDAAMO COc1ccccc1C(=O)NCCNc1cc(-n2cc[nH+]c2C)ncn1 ZINC000072436820 522277659 /nfs/dbraw/zinc/27/76/59/522277659.db2.gz BMYQKNWSZBXQKR-UHFFFAOYSA-N 1 1 352.398 1.821 50 0 FDAAMO O=C1CC[C@H]2C[N@H+](Cc3ccc4nonc4c3)CC[C@H]2N1CCCCO ZINC000072457155 522284695 /nfs/dbraw/zinc/28/46/95/522284695.db2.gz ZLIHHINOAOEBRE-MAUKXSAKSA-N 1 1 358.442 1.808 50 0 FDAAMO COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21)CC3 ZINC000072479624 522303099 /nfs/dbraw/zinc/30/30/99/522303099.db2.gz QBAWDUZIVJJMTM-GOSISDBHSA-N 1 1 351.410 1.671 50 0 FDAAMO Cc1ccc(S(=O)(=O)CCNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1 ZINC000063882092 522670988 /nfs/dbraw/zinc/67/09/88/522670988.db2.gz IXMKQNUDCBMVOY-RTBURBONSA-N 1 1 366.527 1.738 50 0 FDAAMO Cc1ccc(S(=O)(=O)CCNC[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cc1 ZINC000063882092 522670993 /nfs/dbraw/zinc/67/09/93/522670993.db2.gz IXMKQNUDCBMVOY-RTBURBONSA-N 1 1 366.527 1.738 50 0 FDAAMO O=C1CCCN1Cc1ccccc1CNc1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC000065387262 522811860 /nfs/dbraw/zinc/81/18/60/522811860.db2.gz VPAWHIKDRUDKAL-QGZVFWFLSA-N 1 1 367.453 1.782 50 0 FDAAMO Cc1ccc(OC2(C(=O)N3CC(N4CCCCC4)C3)CC[NH2+]CC2)cn1 ZINC000065393722 522816332 /nfs/dbraw/zinc/81/63/32/522816332.db2.gz UNLZRZHCDAEWLF-UHFFFAOYSA-N 1 1 358.486 1.588 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065423363 522819216 /nfs/dbraw/zinc/81/92/16/522819216.db2.gz UASINEBKIHKISB-GOSISDBHSA-N 1 1 368.437 1.459 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065423363 522819226 /nfs/dbraw/zinc/81/92/26/522819226.db2.gz UASINEBKIHKISB-GOSISDBHSA-N 1 1 368.437 1.459 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@]2(CCOC)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000075106029 522877461 /nfs/dbraw/zinc/87/74/61/522877461.db2.gz ZQDBRFMBPLYVCN-LJQANCHMSA-N 1 1 369.506 1.814 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077355537 523306347 /nfs/dbraw/zinc/30/63/47/523306347.db2.gz HCNQMWPCXSECLP-IBGZPJMESA-N 1 1 362.474 1.059 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)CC1 ZINC000077421769 523331943 /nfs/dbraw/zinc/33/19/43/523331943.db2.gz SYCCNGIKUAMBOJ-UHFFFAOYSA-N 1 1 370.497 1.869 50 0 FDAAMO CCNC(=O)C[NH+]1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077437185 523334352 /nfs/dbraw/zinc/33/43/52/523334352.db2.gz IREJONXSYJWCKK-UHFFFAOYSA-N 1 1 361.442 1.488 50 0 FDAAMO CCC(C)(C)C(=O)N1CCC2(CN(CC[N@@H+](C)CCOC)C(=O)O2)CC1 ZINC000077457803 523348024 /nfs/dbraw/zinc/34/80/24/523348024.db2.gz JNVCGTBFCLFEOP-UHFFFAOYSA-N 1 1 369.506 1.814 50 0 FDAAMO CCOc1ccc([C@H]2NC(=O)N=C(C[NH+]3CCCC3)C2C(=O)OC)cc1 ZINC000067287138 523378735 /nfs/dbraw/zinc/37/87/35/523378735.db2.gz CZXVJDKVOTVART-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO C[C@H](NC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1)C(N)=O ZINC000067515129 523478929 /nfs/dbraw/zinc/47/89/29/523478929.db2.gz KDOJYVJUVPABED-AWEZNQCLSA-N 1 1 370.453 1.733 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Cc3ccccc3)CC2)ncn1 ZINC000067621502 523520772 /nfs/dbraw/zinc/52/07/72/523520772.db2.gz JQMPSHKNAVEOJS-UHFFFAOYSA-N 1 1 362.437 1.862 50 0 FDAAMO CC(C)[N@@H+]1CCN(C(=O)c2cc(CN3CCC(O)CC3)on2)C[C@H]1C ZINC000067649837 523533497 /nfs/dbraw/zinc/53/34/97/523533497.db2.gz QSHWPSVELDZLKP-CQSZACIVSA-N 1 1 350.463 1.186 50 0 FDAAMO CC(C)[N@H+]1CCN(C(=O)c2cc(CN3CCC(O)CC3)on2)C[C@H]1C ZINC000067649837 523533511 /nfs/dbraw/zinc/53/35/11/523533511.db2.gz QSHWPSVELDZLKP-CQSZACIVSA-N 1 1 350.463 1.186 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2cccc3ncccc23)C1=O ZINC000067675835 523539023 /nfs/dbraw/zinc/53/90/23/523539023.db2.gz JLPZOKBRTMUHHO-HXUWFJFHSA-N 1 1 357.454 1.667 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(OC(C)C)c(CO)c1)CC2 ZINC000067694723 523546950 /nfs/dbraw/zinc/54/69/50/523546950.db2.gz ZJKGNHJTIODIEV-UHFFFAOYSA-N 1 1 357.454 1.959 50 0 FDAAMO Cc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)c1 ZINC000067714406 523554162 /nfs/dbraw/zinc/55/41/62/523554162.db2.gz VWJSZFXTVCFQKP-UHFFFAOYSA-N 1 1 358.486 1.480 50 0 FDAAMO Cc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)c1 ZINC000067714406 523554173 /nfs/dbraw/zinc/55/41/73/523554173.db2.gz VWJSZFXTVCFQKP-UHFFFAOYSA-N 1 1 358.486 1.480 50 0 FDAAMO Cc1cc(C)cc(NC(=O)C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)c1 ZINC000067714406 523554179 /nfs/dbraw/zinc/55/41/79/523554179.db2.gz VWJSZFXTVCFQKP-UHFFFAOYSA-N 1 1 358.486 1.480 50 0 FDAAMO CN1CC[N@H+]2C[C@@H](NC(=O)c3cc(COc4cccc(F)c4)n[nH]3)C[C@H]2C1 ZINC000067713859 523555383 /nfs/dbraw/zinc/55/53/83/523555383.db2.gz ICZKEJQUZWQSGM-HOCLYGCPSA-N 1 1 373.432 1.246 50 0 FDAAMO C[N@@H+]1CCN2C[C@@H](NC(=O)c3cc(COc4cccc(F)c4)n[nH]3)C[C@H]2C1 ZINC000067713859 523555391 /nfs/dbraw/zinc/55/53/91/523555391.db2.gz ICZKEJQUZWQSGM-HOCLYGCPSA-N 1 1 373.432 1.246 50 0 FDAAMO C[N@H+]1CCN2C[C@@H](NC(=O)c3cc(COc4cccc(F)c4)n[nH]3)C[C@H]2C1 ZINC000067713859 523555401 /nfs/dbraw/zinc/55/54/01/523555401.db2.gz ICZKEJQUZWQSGM-HOCLYGCPSA-N 1 1 373.432 1.246 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1c[nH]nc1-c1cccs1)CC2 ZINC000067727524 523561389 /nfs/dbraw/zinc/56/13/89/523561389.db2.gz LITDCVHGTYPKBO-UHFFFAOYSA-N 1 1 359.499 1.990 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)c3c[nH]nc3-c3cccs3)CC2)C1 ZINC000067727524 523561396 /nfs/dbraw/zinc/56/13/96/523561396.db2.gz LITDCVHGTYPKBO-UHFFFAOYSA-N 1 1 359.499 1.990 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)c3c[nH]nc3-c3cccs3)CC2)C1 ZINC000067727524 523561404 /nfs/dbraw/zinc/56/14/04/523561404.db2.gz LITDCVHGTYPKBO-UHFFFAOYSA-N 1 1 359.499 1.990 50 0 FDAAMO C[N@@H+](Cc1cnc(N)nc1)C[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067742511 523567010 /nfs/dbraw/zinc/56/70/10/523567010.db2.gz VCFIJUAYVHKYHN-HXUWFJFHSA-N 1 1 369.469 1.087 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091664474 523573182 /nfs/dbraw/zinc/57/31/82/523573182.db2.gz GMVFTOIQPPXMSM-IBGZPJMESA-N 1 1 351.491 1.348 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091664474 523573186 /nfs/dbraw/zinc/57/31/86/523573186.db2.gz GMVFTOIQPPXMSM-IBGZPJMESA-N 1 1 351.491 1.348 50 0 FDAAMO CCc1c[nH]nc1C1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)CC1 ZINC000067773189 523578113 /nfs/dbraw/zinc/57/81/13/523578113.db2.gz HCUMUVRTUXEGCD-MRXNPFEDSA-N 1 1 361.490 1.277 50 0 FDAAMO CCc1c[nH]nc1C1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)CC1 ZINC000067773189 523578121 /nfs/dbraw/zinc/57/81/21/523578121.db2.gz HCUMUVRTUXEGCD-MRXNPFEDSA-N 1 1 361.490 1.277 50 0 FDAAMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)c(C)c1 ZINC000067920303 523634951 /nfs/dbraw/zinc/63/49/51/523634951.db2.gz VJQNTJLOWFWQAX-UHFFFAOYSA-N 1 1 372.513 1.870 50 0 FDAAMO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)c(C)c1 ZINC000067920303 523634964 /nfs/dbraw/zinc/63/49/64/523634964.db2.gz VJQNTJLOWFWQAX-UHFFFAOYSA-N 1 1 372.513 1.870 50 0 FDAAMO COCC[N@H+]1CCC[C@@H]1COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000079096038 523702227 /nfs/dbraw/zinc/70/22/27/523702227.db2.gz WQIBUKIPBXOCNN-CQSZACIVSA-N 1 1 353.415 1.980 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(Cl)cn1 ZINC000054887385 523714016 /nfs/dbraw/zinc/71/40/16/523714016.db2.gz GIAMXAOSLYOEHB-CYBMUJFWSA-N 1 1 366.849 1.244 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)Nc1ccc(Cl)cn1 ZINC000054887385 523714030 /nfs/dbraw/zinc/71/40/30/523714030.db2.gz GIAMXAOSLYOEHB-CYBMUJFWSA-N 1 1 366.849 1.244 50 0 FDAAMO O=C(CCC(=O)N1CC[NH+](CCc2ccncc2)CC1)NC1CCCC1 ZINC000055036896 523737332 /nfs/dbraw/zinc/73/73/32/523737332.db2.gz TVYHGAHDFADPAP-UHFFFAOYSA-N 1 1 358.486 1.607 50 0 FDAAMO CN1CC[N@@H+](C)[C@@H](CC(=O)N2CCC(CO)(CCc3ccccc3)CC2)C1 ZINC000020539369 523886417 /nfs/dbraw/zinc/88/64/17/523886417.db2.gz BPEXCXBQQXILSS-FQEVSTJZSA-N 1 1 373.541 1.856 50 0 FDAAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000020539369 523886421 /nfs/dbraw/zinc/88/64/21/523886421.db2.gz BPEXCXBQQXILSS-FQEVSTJZSA-N 1 1 373.541 1.856 50 0 FDAAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)N1CCC(CO)(CCc2ccccc2)CC1 ZINC000020539369 523886425 /nfs/dbraw/zinc/88/64/25/523886425.db2.gz BPEXCXBQQXILSS-FQEVSTJZSA-N 1 1 373.541 1.856 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccccc1OC)C2 ZINC000091625473 523887555 /nfs/dbraw/zinc/88/75/55/523887555.db2.gz ILKXQYRUCBJFSB-FUHWJXTLSA-N 1 1 361.486 1.354 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172259828 524184367 /nfs/dbraw/zinc/18/43/67/524184367.db2.gz VFQZQXHFWQSUEA-GFCCVEGCSA-N 1 1 354.476 1.694 50 0 FDAAMO COc1ccc(-c2ncc(C[N@H+]3CC[C@]4(CC(=O)NC4=O)C3)cn2)cc1 ZINC000082096195 524209241 /nfs/dbraw/zinc/20/92/41/524209241.db2.gz YFVQRMCJDAZWDX-IBGZPJMESA-N 1 1 352.394 1.391 50 0 FDAAMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085468289 524359834 /nfs/dbraw/zinc/35/98/34/524359834.db2.gz RGUAGJKOTNXYQO-HNNXBMFYSA-N 1 1 352.504 1.118 50 0 FDAAMO C[C@H]1C[N@H+](C)CCN1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085468289 524359841 /nfs/dbraw/zinc/35/98/41/524359841.db2.gz RGUAGJKOTNXYQO-HNNXBMFYSA-N 1 1 352.504 1.118 50 0 FDAAMO C[C@H]1C[N@@H+](C)CCN1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085468289 524359848 /nfs/dbraw/zinc/35/98/48/524359848.db2.gz RGUAGJKOTNXYQO-HNNXBMFYSA-N 1 1 352.504 1.118 50 0 FDAAMO Cc1ccn2c(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)nc2c1 ZINC000085875973 524374613 /nfs/dbraw/zinc/37/46/13/524374613.db2.gz GMVQCIQHXPGFRJ-CVEARBPZSA-N 1 1 362.433 1.784 50 0 biogenic FDAAMO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c(C)c1C ZINC000091270600 524686331 /nfs/dbraw/zinc/68/63/31/524686331.db2.gz DHRMHYWYIAMZNT-WOJBJXKFSA-N 1 1 361.530 1.600 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c(C)c1C ZINC000091270600 524686337 /nfs/dbraw/zinc/68/63/37/524686337.db2.gz DHRMHYWYIAMZNT-WOJBJXKFSA-N 1 1 361.530 1.600 50 0 FDAAMO CCc1nn2c(nc(C[NH+]3CCC(c4nccn4C)CC3)cc2=O)s1 ZINC000091305545 524689817 /nfs/dbraw/zinc/68/98/17/524689817.db2.gz RISKMVNTGRZEHS-UHFFFAOYSA-N 1 1 358.471 1.827 50 0 FDAAMO CC(=O)c1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)c1 ZINC000091319731 524691700 /nfs/dbraw/zinc/69/17/00/524691700.db2.gz NYGAWYFPEWAKLM-UXHICEINSA-N 1 1 374.481 1.825 50 0 FDAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CC[NH+](CCc1ccccc1)CC2 ZINC000091390810 524699693 /nfs/dbraw/zinc/69/96/93/524699693.db2.gz WBPRYEUCTKMGGH-UHFFFAOYSA-N 1 1 374.510 1.761 50 0 FDAAMO Cc1cccc(OC2CN(C(=O)CC[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000082134133 524711522 /nfs/dbraw/zinc/71/15/22/524711522.db2.gz RNHWWIMOTXEZGC-OAHLLOKOSA-N 1 1 366.483 1.094 50 0 FDAAMO Cc1cccc(OC2CN(C(=O)CC[N@H+](C)[C@@H]3CCS(=O)(=O)C3)C2)c1 ZINC000082134133 524711531 /nfs/dbraw/zinc/71/15/31/524711531.db2.gz RNHWWIMOTXEZGC-OAHLLOKOSA-N 1 1 366.483 1.094 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)C[N@@H+]1Cc1ccccc1CC ZINC000091486383 524714627 /nfs/dbraw/zinc/71/46/27/524714627.db2.gz XQMNSCPQNMHKRE-IRXDYDNUSA-N 1 1 369.469 1.481 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)C[N@H+]1Cc1ccccc1CC ZINC000091486383 524714640 /nfs/dbraw/zinc/71/46/40/524714640.db2.gz XQMNSCPQNMHKRE-IRXDYDNUSA-N 1 1 369.469 1.481 50 0 FDAAMO Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000091526778 524721381 /nfs/dbraw/zinc/72/13/81/524721381.db2.gz NCUGECABLAIBTA-IAGOWNOFSA-N 1 1 360.483 1.705 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc3nsnc3c1)C2 ZINC000091616911 524740915 /nfs/dbraw/zinc/74/09/15/524740915.db2.gz ISCNQMUUEDPEHJ-LSDHHAIUSA-N 1 1 359.499 1.676 50 0 FDAAMO CNC(=O)CC[N@H+]1C[C@H](NC(=O)c2ccc(COC)cc2)[C@@H](C2CC2)C1 ZINC000091662954 524753776 /nfs/dbraw/zinc/75/37/76/524753776.db2.gz UDGXQKYGTFRBHO-MSOLQXFVSA-N 1 1 359.470 1.409 50 0 FDAAMO Nc1ncc(C[N@H+]2C[C@H](NC(=O)CCC(F)(F)F)[C@@H](C3CC3)C2)cn1 ZINC000091656412 524755232 /nfs/dbraw/zinc/75/52/32/524755232.db2.gz BNZVHTBRAHGNTP-OLZOCXBDSA-N 1 1 357.380 1.728 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1CO ZINC000091736914 524769247 /nfs/dbraw/zinc/76/92/47/524769247.db2.gz MYBNQVZFIUDKEL-HUUCEWRRSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1CO ZINC000091736914 524769257 /nfs/dbraw/zinc/76/92/57/524769257.db2.gz MYBNQVZFIUDKEL-HUUCEWRRSA-N 1 1 371.884 1.653 50 0 FDAAMO O=C(c1ccc2ccccc2c1O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091755089 524777821 /nfs/dbraw/zinc/77/78/21/524777821.db2.gz JXDNWFPXWWUPLD-IAGOWNOFSA-N 1 1 370.449 1.558 50 0 FDAAMO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000241383528 524783846 /nfs/dbraw/zinc/78/38/46/524783846.db2.gz MWAMATVTOQNEPE-MJBXVCDLSA-N 1 1 354.472 1.380 50 0 FDAAMO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C(C)=O)n[nH]1)CC2 ZINC000091831046 524793356 /nfs/dbraw/zinc/79/33/56/524793356.db2.gz ZRTQSALGTADPLH-UHFFFAOYSA-N 1 1 356.430 1.345 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C(C)=O)n[nH]1)CC2 ZINC000091831046 524793364 /nfs/dbraw/zinc/79/33/64/524793364.db2.gz ZRTQSALGTADPLH-UHFFFAOYSA-N 1 1 356.430 1.345 50 0 FDAAMO COc1ccc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091845727 524798827 /nfs/dbraw/zinc/79/88/27/524798827.db2.gz XQSOQYXQULEMFS-ZIAGYGMSSA-N 1 1 368.861 1.361 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccnc3)C2)C1=O ZINC000092107105 524849551 /nfs/dbraw/zinc/84/95/51/524849551.db2.gz RYGQDKGGAOPXKO-IBGZPJMESA-N 1 1 360.458 1.371 50 0 FDAAMO Cc1cc(OCC(=O)NCCC[NH+]2CCOCC2)ccc1Br ZINC000019877126 525362115 /nfs/dbraw/zinc/36/21/15/525362115.db2.gz QRJPAGYIKCRWNQ-UHFFFAOYSA-N 1 1 371.275 1.975 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnn(C)c2)C[C@H]1CCO ZINC000105901435 525540275 /nfs/dbraw/zinc/54/02/75/525540275.db2.gz NMOPSIHJCXFSCA-LJQANCHMSA-N 1 1 358.486 1.888 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cnn(C)c2)C[C@H]1CCO ZINC000105901435 525540283 /nfs/dbraw/zinc/54/02/83/525540283.db2.gz NMOPSIHJCXFSCA-LJQANCHMSA-N 1 1 358.486 1.888 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000169680483 525626423 /nfs/dbraw/zinc/62/64/23/525626423.db2.gz PPUYQZQIUBIXDG-JKSUJKDBSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000169680483 525626433 /nfs/dbraw/zinc/62/64/33/525626433.db2.gz PPUYQZQIUBIXDG-JKSUJKDBSA-N 1 1 368.449 1.386 50 0 FDAAMO CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155425289 525861924 /nfs/dbraw/zinc/86/19/24/525861924.db2.gz LDEFACIDGNHNHM-WMLDXEAASA-N 1 1 367.515 1.584 50 0 FDAAMO O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000182015447 526020560 /nfs/dbraw/zinc/02/05/60/526020560.db2.gz LBSDASZUTCJTRY-SFHVURJKSA-N 1 1 370.497 1.567 50 0 FDAAMO O=C(NCc1ccccc1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091603644 526736240 /nfs/dbraw/zinc/73/62/40/526736240.db2.gz GZBLBIZOKRYQSA-GOSISDBHSA-N 1 1 359.470 1.264 50 0 FDAAMO Cc1onc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)c1CO ZINC000082145878 526856219 /nfs/dbraw/zinc/85/62/19/526856219.db2.gz VFSLRZCHDASHNE-UHFFFAOYSA-N 1 1 373.457 1.750 50 0 FDAAMO OCc1cn(C[C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)nn1 ZINC000020855280 527640304 /nfs/dbraw/zinc/64/03/04/527640304.db2.gz IQMFUDUFIIFPFI-KRWDZBQOSA-N 1 1 352.442 1.868 50 0 FDAAMO CCNC(=O)c1ccnc(N2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c1 ZINC000072423960 535450751 /nfs/dbraw/zinc/45/07/51/535450751.db2.gz IWMKNFUMRJONDN-QGZVFWFLSA-N 1 1 372.469 1.806 50 0 FDAAMO CCNC(=O)c1ccnc(N2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)c1 ZINC000072423960 535450757 /nfs/dbraw/zinc/45/07/57/535450757.db2.gz IWMKNFUMRJONDN-QGZVFWFLSA-N 1 1 372.469 1.806 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)CC1 ZINC000075519921 535634106 /nfs/dbraw/zinc/63/41/06/535634106.db2.gz ZRMKFLCEXDHZAK-OAHLLOKOSA-N 1 1 354.458 1.405 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O)c1ccc2cc[nH]c2c1 ZINC000252495428 537250279 /nfs/dbraw/zinc/25/02/79/537250279.db2.gz OQDOWZFQNQTERU-IEBWSBKVSA-N 1 1 350.422 1.928 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O)c1ccc2cc[nH]c2c1 ZINC000252495428 537250281 /nfs/dbraw/zinc/25/02/81/537250281.db2.gz OQDOWZFQNQTERU-IEBWSBKVSA-N 1 1 350.422 1.928 50 0 FDAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)Cc1cnc[nH]c1=O)c1ccccc1 ZINC000215937695 537444546 /nfs/dbraw/zinc/44/45/46/537444546.db2.gz KXEOHXADRRXZBG-KRWDZBQOSA-N 1 1 351.410 1.765 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2ccc(-c3nnn(C)n3)cc2)CC1 ZINC000216110129 537446681 /nfs/dbraw/zinc/44/66/81/537446681.db2.gz HYDIBCMSHCSMGI-UHFFFAOYSA-N 1 1 351.414 1.592 50 0 FDAAMO CC(C)c1ccc(C(=O)NC2(C[NH+]3CCOCC3)CCCC2)c(=O)n1C ZINC000216413946 537448038 /nfs/dbraw/zinc/44/80/38/537448038.db2.gz FDSWWIDQZBJDHC-UHFFFAOYSA-N 1 1 361.486 1.884 50 0 FDAAMO C[N@H+](CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1)Cc1ccccc1 ZINC000219071291 537471293 /nfs/dbraw/zinc/47/12/93/537471293.db2.gz PTLBFVGOKVGJGR-QZTJIDSGSA-N 1 1 355.438 1.866 50 0 FDAAMO C[N@@H+](CC(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1)Cc1ccccc1 ZINC000219071291 537471300 /nfs/dbraw/zinc/47/13/00/537471300.db2.gz PTLBFVGOKVGJGR-QZTJIDSGSA-N 1 1 355.438 1.866 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000219317707 537475395 /nfs/dbraw/zinc/47/53/95/537475395.db2.gz CXOVBBQQCGRETG-CQSZACIVSA-N 1 1 356.426 1.766 50 0 FDAAMO Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(c1[nH+]cnc3[nH]ccc31)C2 ZINC000219899803 537481960 /nfs/dbraw/zinc/48/19/60/537481960.db2.gz YAPLRMCFDBHBLO-INIZCTEOSA-N 1 1 364.413 1.380 50 0 FDAAMO COc1cccc([C@H]2CCN(C(=O)CN3CCC[N@@H+](C)CC3)C2)c1OC ZINC000221454302 537503035 /nfs/dbraw/zinc/50/30/35/537503035.db2.gz JOKWHTUZYVPEPW-INIZCTEOSA-N 1 1 361.486 1.657 50 0 FDAAMO Cc1ccc2[nH]c(CCCNC(=O)CN3CCC[N@H+](C)CC3)nc2c1C ZINC000222358550 537505658 /nfs/dbraw/zinc/50/56/58/537505658.db2.gz NWGBCYUAINCIAQ-UHFFFAOYSA-N 1 1 357.502 1.866 50 0 FDAAMO Cc1ccc2nc(CCCNC(=O)CN3CCC[N@@H+](C)CC3)[nH]c2c1C ZINC000222358550 537505671 /nfs/dbraw/zinc/50/56/71/537505671.db2.gz NWGBCYUAINCIAQ-UHFFFAOYSA-N 1 1 357.502 1.866 50 0 FDAAMO Cc1ccc2nc(CCCNC(=O)CN3CCC[N@H+](C)CC3)[nH]c2c1C ZINC000222358550 537505683 /nfs/dbraw/zinc/50/56/83/537505683.db2.gz NWGBCYUAINCIAQ-UHFFFAOYSA-N 1 1 357.502 1.866 50 0 FDAAMO CCc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(=O)[nH]1 ZINC000222824231 537513168 /nfs/dbraw/zinc/51/31/68/537513168.db2.gz LWGNFPVXYOMKAI-INIZCTEOSA-N 1 1 369.469 1.359 50 0 FDAAMO CCc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(=O)[nH]1 ZINC000222824231 537513172 /nfs/dbraw/zinc/51/31/72/537513172.db2.gz LWGNFPVXYOMKAI-INIZCTEOSA-N 1 1 369.469 1.359 50 0 FDAAMO CS(=O)(=O)Nc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000299774568 537594307 /nfs/dbraw/zinc/59/43/07/537594307.db2.gz HHCUXPNGQQDOQN-HNNXBMFYSA-N 1 1 370.475 1.026 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(O)cc2)[C@H](O)C1 ZINC000299775529 537594724 /nfs/dbraw/zinc/59/47/24/537594724.db2.gz KFPJYINIAFIKMU-RTBURBONSA-N 1 1 373.453 1.681 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(O)cc2)[C@H](O)C1 ZINC000299775529 537594732 /nfs/dbraw/zinc/59/47/32/537594732.db2.gz KFPJYINIAFIKMU-RTBURBONSA-N 1 1 373.453 1.681 50 0 FDAAMO COc1ccc(OC)c(NC(=O)CC[N@@H+]2CCc3c(c(CO)nn3C)C2)c1 ZINC000299776681 537595222 /nfs/dbraw/zinc/59/52/22/537595222.db2.gz CMXPTOGODCXHRE-UHFFFAOYSA-N 1 1 374.441 1.317 50 0 FDAAMO COc1ccc(OC)c(NC(=O)CC[N@H+]2CCc3c(c(CO)nn3C)C2)c1 ZINC000299776681 537595227 /nfs/dbraw/zinc/59/52/27/537595227.db2.gz CMXPTOGODCXHRE-UHFFFAOYSA-N 1 1 374.441 1.317 50 0 FDAAMO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1[nH]nc2c1COCC2 ZINC000244874201 537654239 /nfs/dbraw/zinc/65/42/39/537654239.db2.gz WWHVEWMQQLBLFJ-KRWDZBQOSA-N 1 1 355.442 1.834 50 0 FDAAMO C[C@H](CCNC(=O)N1CCC(O)(c2cccnc2)CC1)[NH+]1CCOCC1 ZINC000584884095 551564541 /nfs/dbraw/zinc/56/45/41/551564541.db2.gz BKCSDNSIEPZVAJ-MRXNPFEDSA-N 1 1 362.474 1.185 50 0 FDAAMO COc1ccc(-c2cc(CNC(=O)N3CC[NH+](CCO)CC3)no2)cc1 ZINC000584895217 551566569 /nfs/dbraw/zinc/56/65/69/551566569.db2.gz HJUVKSBEZAEBIL-UHFFFAOYSA-N 1 1 360.414 1.170 50 0 FDAAMO COC(=O)[C@@]1(NC(=O)c2cccn2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000119627068 570514558 /nfs/dbraw/zinc/51/45/58/570514558.db2.gz HRCOOODJPAALOG-HXUWFJFHSA-N 1 1 355.438 1.963 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O ZINC000426433548 570604465 /nfs/dbraw/zinc/60/44/65/570604465.db2.gz DTELDMUGUPYYTN-IAGOWNOFSA-N 1 1 370.453 1.227 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000109067123 570911542 /nfs/dbraw/zinc/91/15/42/570911542.db2.gz JPZUOMMHMLYUDK-AOOOYVTPSA-N 1 1 366.892 1.114 50 0 FDAAMO OC1CN(c2nc(NCCOCc3ccccc3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426381822 571132735 /nfs/dbraw/zinc/13/27/35/571132735.db2.gz WBFHWDLOJUEOOO-MRXNPFEDSA-N 1 1 370.453 1.790 50 0 FDAAMO C[NH+](C)CCCOc1ccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299761312 571193426 /nfs/dbraw/zinc/19/34/26/571193426.db2.gz IUFROPIEIYNJKF-VQTJNVASSA-N 1 1 371.485 1.954 50 0 FDAAMO COc1cccc(SCC(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000299797050 571202393 /nfs/dbraw/zinc/20/23/93/571202393.db2.gz PHEUFZFMLMTERD-CYBMUJFWSA-N 1 1 351.472 1.101 50 0 FDAAMO CO[C@]12CC[N@H+](Cc3nc(CSC)no3)[C@H]1C[C@H](OCCO)CC2 ZINC000299800633 571203346 /nfs/dbraw/zinc/20/33/46/571203346.db2.gz XDVXSBLADQAHCQ-DVOMOZLQSA-N 1 1 357.476 1.454 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3nc(CSC)no3)[C@H]1C[C@H](OCCO)CC2 ZINC000299800633 571203347 /nfs/dbraw/zinc/20/33/47/571203347.db2.gz XDVXSBLADQAHCQ-DVOMOZLQSA-N 1 1 357.476 1.454 50 0 FDAAMO Cc1nnc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000426361223 571215562 /nfs/dbraw/zinc/21/55/62/571215562.db2.gz QMYZVZHHYUSCGE-UHFFFAOYSA-N 1 1 356.474 1.963 50 0 FDAAMO Cc1nc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)n[nH]1 ZINC000426361223 571215564 /nfs/dbraw/zinc/21/55/64/571215564.db2.gz QMYZVZHHYUSCGE-UHFFFAOYSA-N 1 1 356.474 1.963 50 0 FDAAMO Cc1nc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)n[nH]1 ZINC000426361223 571215565 /nfs/dbraw/zinc/21/55/65/571215565.db2.gz QMYZVZHHYUSCGE-UHFFFAOYSA-N 1 1 356.474 1.963 50 0 FDAAMO COc1ccnc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)c2)n1 ZINC000426376598 571216841 /nfs/dbraw/zinc/21/68/41/571216841.db2.gz YGYXNKGYXGLPPW-KRWDZBQOSA-N 1 1 370.453 1.729 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000670453160 571352867 /nfs/dbraw/zinc/35/28/67/571352867.db2.gz ULONEEYKCOAHAU-ZDUSSCGKSA-N 1 1 366.405 1.831 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000670453160 571352868 /nfs/dbraw/zinc/35/28/68/571352868.db2.gz ULONEEYKCOAHAU-ZDUSSCGKSA-N 1 1 366.405 1.831 50 0 FDAAMO Cc1ccc(OCCS(=O)(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000670452919 571352912 /nfs/dbraw/zinc/35/29/12/571352912.db2.gz OTCQRJHSRKGWJG-MRXNPFEDSA-N 1 1 356.488 1.140 50 0 FDAAMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)o1 ZINC000192532706 672355885 /nfs/dbraw/zinc/35/58/85/672355885.db2.gz XYJGYIIBXRSBHA-GFCCVEGCSA-N 1 1 363.439 1.475 50 0 FDAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193995310 672377196 /nfs/dbraw/zinc/37/71/96/672377196.db2.gz ADIVSBQYRKEEPY-ZDUSSCGKSA-N 1 1 350.444 1.316 50 0 FDAAMO CC(C)CN1C[C@@H](OCc2cccc(F)c2)C[N@@H+]([C@H](C)CO)CC1=O ZINC000248262896 672531680 /nfs/dbraw/zinc/53/16/80/672531680.db2.gz WVHVMRQHOUPREX-QAPCUYQASA-N 1 1 352.450 1.892 50 0 FDAAMO CC(C)CN1C[C@@H](OCc2cccc(F)c2)C[N@H+]([C@H](C)CO)CC1=O ZINC000248262896 672531682 /nfs/dbraw/zinc/53/16/82/672531682.db2.gz WVHVMRQHOUPREX-QAPCUYQASA-N 1 1 352.450 1.892 50 0 FDAAMO CCCS(=O)(=O)N1CC[C@@H]2COCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257187490 672630756 /nfs/dbraw/zinc/63/07/56/672630756.db2.gz LTGVQBUVAZDYIB-QZTJIDSGSA-N 1 1 352.500 1.949 50 0 FDAAMO CCCS(=O)(=O)N1CC[C@@H]2COCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000257187490 672630761 /nfs/dbraw/zinc/63/07/61/672630761.db2.gz LTGVQBUVAZDYIB-QZTJIDSGSA-N 1 1 352.500 1.949 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccccc1 ZINC000279346990 675280119 /nfs/dbraw/zinc/28/01/19/675280119.db2.gz CDJVHRIHPHYPIJ-SJORKVTESA-N 1 1 365.499 1.316 50 0 FDAAMO NC(=O)CCSC1=NN/C(=C2/C=c3ccccc3=[NH+]2)N1c1ccccc1 ZINC000105223351 781676541 /nfs/dbraw/zinc/67/65/41/781676541.db2.gz JEPQICWOUHQSEB-FBMGVBCBSA-N 1 1 363.446 1.259 50 0 FDAAMO C[NH+](C)CCc1nc(C2(c3ccccc3)CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000096153993 784529722 /nfs/dbraw/zinc/52/97/22/784529722.db2.gz QSOYQYJQTVJBJK-INIZCTEOSA-N 1 1 374.510 1.822 50 0 FDAAMO CC(C)C[N@@H+]1C[C@@H](CN2CCN(C)CC2)C[C@@H](C(=O)N2CCCCC2)C1 ZINC000023354265 785746304 /nfs/dbraw/zinc/74/63/04/785746304.db2.gz GKPJMAWKFCAXEM-WOJBJXKFSA-N 1 1 364.578 1.840 50 0 FDAAMO CC(C)C[N@H+]1C[C@@H](CN2CCN(C)CC2)C[C@@H](C(=O)N2CCCCC2)C1 ZINC000023354265 785746313 /nfs/dbraw/zinc/74/63/13/785746313.db2.gz GKPJMAWKFCAXEM-WOJBJXKFSA-N 1 1 364.578 1.840 50 0 FDAAMO Cn1nc2n(c1=O)CC[C@H]([N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000257188240 793969197 /nfs/dbraw/zinc/96/91/97/793969197.db2.gz DTBVIOWLPGCNOD-MRXNPFEDSA-N 1 1 370.432 1.948 50 0 FDAAMO COCCc1noc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)C[C@H]2CO)n1 ZINC000257194220 794044094 /nfs/dbraw/zinc/04/40/94/794044094.db2.gz SVHUQKAHPUZZLJ-GOEBONIOSA-N 1 1 356.426 1.948 50 0 FDAAMO CN(C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCN(C(=O)C3CCCCC3)CC2)[NH2+]1 ZINC000675015622 795227719 /nfs/dbraw/zinc/22/77/19/795227719.db2.gz ZHSGAOPAWWXIGN-INIZCTEOSA-N 1 1 373.501 1.410 50 0 FDAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000119323647 808171125 /nfs/dbraw/zinc/17/11/25/808171125.db2.gz CHCUEAMRBRTPDO-OAHLLOKOSA-N 1 1 363.433 1.481 50 0 FDAAMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000119323522 808171483 /nfs/dbraw/zinc/17/14/83/808171483.db2.gz CHCUEAMRBRTPDO-HNNXBMFYSA-N 1 1 363.433 1.481 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252478788 810450018 /nfs/dbraw/zinc/45/00/18/810450018.db2.gz AVDFCEJLQSXSGU-AWEZNQCLSA-N 1 1 354.414 1.737 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252478788 810450023 /nfs/dbraw/zinc/45/00/23/810450023.db2.gz AVDFCEJLQSXSGU-AWEZNQCLSA-N 1 1 354.414 1.737 50 0 FDAAMO CN(CCCc1nccn1C)C(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000426420541 810487212 /nfs/dbraw/zinc/48/72/12/810487212.db2.gz HINAZJKZYKYNMB-UHFFFAOYSA-N 1 1 363.506 1.639 50 0 FDAAMO Cc1cc(C)nc(-c2ccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)cc2)n1 ZINC000426643046 811511417 /nfs/dbraw/zinc/51/14/17/811511417.db2.gz UDWZXZQHZWJPCG-SFHVURJKSA-N 1 1 353.470 1.736 50 0 FDAAMO NC(=O)C1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000057169822 863091878 /nfs/dbraw/zinc/09/18/78/863091878.db2.gz LXGKKQHNWHQFGT-QGZVFWFLSA-N 1 1 359.470 1.297 50 0 FDAAMO NC(=O)C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000057169821 863092215 /nfs/dbraw/zinc/09/22/15/863092215.db2.gz LXGKKQHNWHQFGT-KRWDZBQOSA-N 1 1 359.470 1.297 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]2C1=O ZINC000169757546 864488977 /nfs/dbraw/zinc/48/89/77/864488977.db2.gz HUCKZLXPJLFCOU-OKILXGFUSA-N 1 1 372.343 1.648 50 0 FDAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1c1nc(COC)no1 ZINC000169791181 864529805 /nfs/dbraw/zinc/52/98/05/864529805.db2.gz IZYYKGDHFNODPK-HUUCEWRRSA-N 1 1 372.425 1.113 50 0 FDAAMO O=C(CCCn1cncn1)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011704051 892717614 /nfs/dbraw/zinc/71/76/14/892717614.db2.gz SEXNPGODYQIZKB-SFHVURJKSA-N 1 1 353.470 1.806 50 0 FDAAMO CS(=O)(=O)CCN1CCOC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000826588319 924203252 /nfs/dbraw/zinc/20/32/52/924203252.db2.gz KXJUDRXOKLGXRY-UHFFFAOYSA-N 1 1 370.490 1.537 50 0 FDAAMO Nc1ncccc1CN1CCOC2(CC[NH+](Cc3nccs3)CC2)C1 ZINC000827591830 924631172 /nfs/dbraw/zinc/63/11/72/924631172.db2.gz BWOOTOHRUZQKHW-UHFFFAOYSA-N 1 1 359.499 1.987 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@H](CNC(=O)CCn2nnnc2C)C1 ZINC000827822380 924758079 /nfs/dbraw/zinc/75/80/79/924758079.db2.gz KFAFXFWEBRQVRB-OAHLLOKOSA-N 1 1 361.450 1.005 50 0 FDAAMO O=C(CCC(=O)N1CCC[N@H+](Cc2ccccn2)CC1)Nc1nncs1 ZINC000828086986 924825722 /nfs/dbraw/zinc/82/57/22/924825722.db2.gz IRXMHERJJUJFLX-UHFFFAOYSA-N 1 1 374.470 1.386 50 0 FDAAMO O=C(CCC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1)Nc1nncs1 ZINC000828086986 924825729 /nfs/dbraw/zinc/82/57/29/924825729.db2.gz IRXMHERJJUJFLX-UHFFFAOYSA-N 1 1 374.470 1.386 50 0 FDAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]21 ZINC000581781779 927575503 /nfs/dbraw/zinc/57/55/03/927575503.db2.gz OVNARZIFIBEQEF-IEBWSBKVSA-N 1 1 357.454 1.977 50 0 FDAAMO Cc1ccccc1[C@H](NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1ccncc1 ZINC000952869769 960213130 /nfs/dbraw/zinc/21/31/30/960213130.db2.gz OBEVJODPGXNZLZ-FXAWDEMLSA-N 1 1 366.465 1.793 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](COc3ccccc3)C2)C1 ZINC000952963651 960246205 /nfs/dbraw/zinc/24/62/05/960246205.db2.gz LKWVWRWWZUPHDU-DLBZAZTESA-N 1 1 359.470 1.501 50 0 FDAAMO CCn1nc(CO)c2c1CCN(C(=O)[C@H]1Cc3ccccc3C[N@@H+]1CC)C2 ZINC000952968510 960284145 /nfs/dbraw/zinc/28/41/45/960284145.db2.gz NETJPNVQDOZHPG-HXUWFJFHSA-N 1 1 368.481 1.727 50 0 FDAAMO CCn1nc(CO)c2c1CCN(C(=O)[C@H]1Cc3ccccc3C[N@H+]1CC)C2 ZINC000952968510 960284149 /nfs/dbraw/zinc/28/41/49/960284149.db2.gz NETJPNVQDOZHPG-HXUWFJFHSA-N 1 1 368.481 1.727 50 0 FDAAMO CCn1cc(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c(C)n1 ZINC000952987819 960311510 /nfs/dbraw/zinc/31/15/10/960311510.db2.gz JRPPOOVHMYWNMZ-KRWDZBQOSA-N 1 1 362.499 1.889 50 0 FDAAMO CCn1cc(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c(C)n1 ZINC000952987819 960311518 /nfs/dbraw/zinc/31/15/18/960311518.db2.gz JRPPOOVHMYWNMZ-KRWDZBQOSA-N 1 1 362.499 1.889 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@@H]1CO ZINC000092022132 1007039199 /nfs/dbraw/zinc/03/91/99/1007039199.db2.gz QVOACONVZRAOQR-QZTJIDSGSA-N 1 1 361.486 1.155 50 0 FDAAMO CC1(C)NC(=O)N(CCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1=O ZINC000045736648 209329112 /nfs/dbraw/zinc/32/91/12/209329112.db2.gz TWYNHLUCMUZFRT-UHFFFAOYSA-N 1 1 362.449 1.664 50 0 FDAAMO CC1(C)NC(=O)N(CC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1=O ZINC000045736648 209329114 /nfs/dbraw/zinc/32/91/14/209329114.db2.gz TWYNHLUCMUZFRT-UHFFFAOYSA-N 1 1 362.449 1.664 50 0 FDAAMO CC1(C)NC(=O)N(CC[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)C1=O ZINC000045736648 209329116 /nfs/dbraw/zinc/32/91/16/209329116.db2.gz TWYNHLUCMUZFRT-UHFFFAOYSA-N 1 1 362.449 1.664 50 0 FDAAMO C[N@H+]1CCN(Cc2cccc(Cn3cccn3)c2)C[C@@]12CCNC(=O)CC2 ZINC000108047163 209283316 /nfs/dbraw/zinc/28/33/16/209283316.db2.gz KIQBIXBLOSXHTD-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@@]12CCNC(=O)CC2 ZINC000108047163 209283318 /nfs/dbraw/zinc/28/33/18/209283318.db2.gz KIQBIXBLOSXHTD-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@@H+](Cc2cccc(Cn3cccn3)c2)C[C@@]12CCNC(=O)CC2 ZINC000108047163 209283322 /nfs/dbraw/zinc/28/33/22/209283322.db2.gz KIQBIXBLOSXHTD-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000100820038 209219421 /nfs/dbraw/zinc/21/94/21/209219421.db2.gz SRBDRULTGBZTAB-CYBMUJFWSA-N 1 1 370.236 1.823 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-n2cnnc2)nc1 ZINC000097713559 209193788 /nfs/dbraw/zinc/19/37/88/209193788.db2.gz UTZIYFWBRWCGNV-UHFFFAOYSA-N 1 1 370.457 1.427 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1ccn2nnnc2c1 ZINC000097602430 209189007 /nfs/dbraw/zinc/18/90/07/209189007.db2.gz LKNBAMIGPOTSOU-KRWDZBQOSA-N 1 1 350.426 1.734 50 0 FDAAMO CC[N@@H+](C)[C@@H](C)CCNC(=O)c1cccc(S(=O)(=O)N2CCC2)c1 ZINC000097546451 209185383 /nfs/dbraw/zinc/18/53/83/209185383.db2.gz HSOOIGQZUALHFP-AWEZNQCLSA-N 1 1 353.488 1.541 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@@H](c2cccnc2)N2CCOCC2)CC1 ZINC000097447012 209181648 /nfs/dbraw/zinc/18/16/48/209181648.db2.gz HXRLRTLCNKKGNH-GOSISDBHSA-N 1 1 369.469 1.556 50 0 FDAAMO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000097301308 209177084 /nfs/dbraw/zinc/17/70/84/209177084.db2.gz REFQBSMQBBDHLF-VIFPVBQESA-N 1 1 368.787 1.669 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@@H+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000097213098 209174049 /nfs/dbraw/zinc/17/40/49/209174049.db2.gz YWYCOUDBFIUOCM-PMACEKPBSA-N 1 1 356.470 1.199 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@@H+]1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000097213098 209174052 /nfs/dbraw/zinc/17/40/52/209174052.db2.gz YWYCOUDBFIUOCM-PMACEKPBSA-N 1 1 356.470 1.199 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000097213098 209174054 /nfs/dbraw/zinc/17/40/54/209174054.db2.gz YWYCOUDBFIUOCM-PMACEKPBSA-N 1 1 356.470 1.199 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccsc2)C[N@H+]1C1CCOCC1 ZINC000096162796 209129311 /nfs/dbraw/zinc/12/93/11/209129311.db2.gz CNMDWGNTIXALSL-ZFWWWQNUSA-N 1 1 351.472 1.236 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccn(C)c3c2)C[N@@H+]1C ZINC000096149224 209123729 /nfs/dbraw/zinc/12/37/29/209123729.db2.gz BSYZSJGWWWVUJV-WMZOPIPTSA-N 1 1 356.470 1.849 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc3ccn(C)c3c2)C[N@H+]1C ZINC000096149224 209123732 /nfs/dbraw/zinc/12/37/32/209123732.db2.gz BSYZSJGWWWVUJV-WMZOPIPTSA-N 1 1 356.470 1.849 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccn(C)c(=O)c1)CC2 ZINC000096148187 209123045 /nfs/dbraw/zinc/12/30/45/209123045.db2.gz DRNCWLQIPJTOGX-UHFFFAOYSA-N 1 1 369.469 1.508 50 0 FDAAMO C[N@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000009451630 207271447 /nfs/dbraw/zinc/27/14/47/207271447.db2.gz XHJIVICAHVSWCY-UHFFFAOYSA-N 1 1 355.394 1.873 50 0 FDAAMO C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000009451630 207271451 /nfs/dbraw/zinc/27/14/51/207271451.db2.gz XHJIVICAHVSWCY-UHFFFAOYSA-N 1 1 355.394 1.873 50 0 FDAAMO CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1 ZINC000011935929 207330746 /nfs/dbraw/zinc/33/07/46/207330746.db2.gz RSQADWMQOVNOLK-INIZCTEOSA-N 1 1 361.490 1.290 50 0 FDAAMO CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000011935929 207330750 /nfs/dbraw/zinc/33/07/50/207330750.db2.gz RSQADWMQOVNOLK-INIZCTEOSA-N 1 1 361.490 1.290 50 0 FDAAMO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccc4nccnc4c3)C2)CC1 ZINC000011998443 207332084 /nfs/dbraw/zinc/33/20/84/207332084.db2.gz KETWWEYVOXMYKZ-MRXNPFEDSA-N 1 1 353.470 1.918 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccc4nccnc4c3)C2)CC1 ZINC000011998443 207332089 /nfs/dbraw/zinc/33/20/89/207332089.db2.gz KETWWEYVOXMYKZ-MRXNPFEDSA-N 1 1 353.470 1.918 50 0 FDAAMO O[C@@H](COc1cccc(CN2CCSCC2)c1)C[NH+]1CCC(O)CC1 ZINC000011880093 207328010 /nfs/dbraw/zinc/32/80/10/207328010.db2.gz OIVCQYBXSFOCPN-GOSISDBHSA-N 1 1 366.527 1.432 50 0 FDAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CCO)C2)c(OC)c1 ZINC000012431957 207375556 /nfs/dbraw/zinc/37/55/56/207375556.db2.gz VTNGPSDJVVRRIX-HNNXBMFYSA-N 1 1 350.459 1.805 50 0 FDAAMO COCCCNc1nc2nonc2nc1NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000012467004 207380189 /nfs/dbraw/zinc/38/01/89/207380189.db2.gz UEJBIRIFIVNACV-ZDUSSCGKSA-N 1 1 363.466 1.994 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000012457873 207381714 /nfs/dbraw/zinc/38/17/14/207381714.db2.gz AOWGLDOIRABCMF-HNNXBMFYSA-N 1 1 371.441 1.294 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000012457873 207381719 /nfs/dbraw/zinc/38/17/19/207381719.db2.gz AOWGLDOIRABCMF-HNNXBMFYSA-N 1 1 371.441 1.294 50 0 FDAAMO CCCn1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc2c1=O ZINC000012767134 207417504 /nfs/dbraw/zinc/41/75/04/207417504.db2.gz WVSVOPXHSMNJGT-UHFFFAOYSA-N 1 1 358.442 1.259 50 0 FDAAMO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032754464 208038551 /nfs/dbraw/zinc/03/85/51/208038551.db2.gz BPRCIYZWAGDQPN-NSHDSACASA-N 1 1 370.409 1.288 50 0 FDAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032754464 208038556 /nfs/dbraw/zinc/03/85/56/208038556.db2.gz BPRCIYZWAGDQPN-NSHDSACASA-N 1 1 370.409 1.288 50 0 FDAAMO C[C@@H](NC(N)=O)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975605 208064254 /nfs/dbraw/zinc/06/42/54/208064254.db2.gz XJDLRSOQIBBZBA-MRXNPFEDSA-N 1 1 366.465 1.977 50 0 FDAAMO CC(C)(C)c1ccc(C[NH+]2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000039987622 208215572 /nfs/dbraw/zinc/21/55/72/208215572.db2.gz BXOKMEVRJKUKNI-UHFFFAOYSA-N 1 1 359.514 1.961 50 0 FDAAMO O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000040079566 208223524 /nfs/dbraw/zinc/22/35/24/208223524.db2.gz OKMLQYSQSGRQMI-SJLPKXTDSA-N 1 1 357.454 1.363 50 0 FDAAMO CCOC(=O)CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000040930122 208274491 /nfs/dbraw/zinc/27/44/91/208274491.db2.gz ADUXEMGBZYSADJ-UHFFFAOYSA-N 1 1 372.425 1.628 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCN(C(=O)c1cnccn1)C1CC1 ZINC000040373409 208248386 /nfs/dbraw/zinc/24/83/86/208248386.db2.gz OHBJWUAAWGTCKF-INIZCTEOSA-N 1 1 373.501 1.852 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21c2cc(F)ccc2NC1=O ZINC000043730550 208306448 /nfs/dbraw/zinc/30/64/48/208306448.db2.gz XWLQFAKSDIEBEW-DFHCSUQFSA-N 1 1 371.412 1.851 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2cc(F)ccc2NC1=O ZINC000043730550 208306454 /nfs/dbraw/zinc/30/64/54/208306454.db2.gz XWLQFAKSDIEBEW-DFHCSUQFSA-N 1 1 371.412 1.851 50 0 FDAAMO CCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1Cl ZINC000046140982 208361079 /nfs/dbraw/zinc/36/10/79/208361079.db2.gz BHSZCGBYJXRRLJ-UHFFFAOYSA-N 1 1 373.906 1.427 50 0 FDAAMO Cc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C(C)C)cc1 ZINC000046140805 208361554 /nfs/dbraw/zinc/36/15/54/208361554.db2.gz TXZWVSXXKUGHQV-UHFFFAOYSA-N 1 1 353.488 1.081 50 0 FDAAMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072476549 208874213 /nfs/dbraw/zinc/87/42/13/208874213.db2.gz MLNHEWKRWAPGMY-QGZVFWFLSA-N 1 1 372.469 1.142 50 0 FDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000075094023 208882489 /nfs/dbraw/zinc/88/24/89/208882489.db2.gz NEESXVCOGIRWNV-AWEZNQCLSA-N 1 1 355.460 1.011 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1COc3ccccc3O1)CC2 ZINC000091907866 209004523 /nfs/dbraw/zinc/00/45/23/209004523.db2.gz WZHOBTCCACWKIS-QGZVFWFLSA-N 1 1 368.437 1.555 50 0 FDAAMO COCC[C@]1(O)CC[N@@H+](CCC(=O)NCc2ccc(F)cc2)C[C@H]1C ZINC000091907884 209004563 /nfs/dbraw/zinc/00/45/63/209004563.db2.gz WYJSRVQCHHGNPO-DNVCBOLYSA-N 1 1 352.450 1.941 50 0 FDAAMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@H](C)O1 ZINC000547858901 542466082 /nfs/dbraw/zinc/46/60/82/542466082.db2.gz PWHWBJBICYWAMJ-IYBDPMFKSA-N 1 1 350.459 1.939 50 0 FDAAMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@H](C)O1 ZINC000547858901 542466087 /nfs/dbraw/zinc/46/60/87/542466087.db2.gz PWHWBJBICYWAMJ-IYBDPMFKSA-N 1 1 350.459 1.939 50 0 FDAAMO NC(=O)c1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)n1 ZINC000091964581 209007028 /nfs/dbraw/zinc/00/70/28/209007028.db2.gz ZELBHHHQOZNQAA-XJKSGUPXSA-N 1 1 367.453 1.232 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccccc1Cl)C2 ZINC000092003158 209011097 /nfs/dbraw/zinc/01/10/97/209011097.db2.gz KRGHWWXQYNBNLI-GOEBONIOSA-N 1 1 363.889 1.894 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1ccccc1Cl)C2 ZINC000092003158 209011103 /nfs/dbraw/zinc/01/11/03/209011103.db2.gz KRGHWWXQYNBNLI-GOEBONIOSA-N 1 1 363.889 1.894 50 0 FDAAMO Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095354322 209024271 /nfs/dbraw/zinc/02/42/71/209024271.db2.gz GLYMAMCQZWRUFN-QGZVFWFLSA-N 1 1 361.486 1.554 50 0 FDAAMO NC(=O)CCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357849 209026265 /nfs/dbraw/zinc/02/62/65/209026265.db2.gz WBUWVCSFUMSWTJ-KFKAGJAMSA-N 1 1 363.408 1.619 50 0 FDAAMO O=C(Cn1cnnn1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095359881 209027266 /nfs/dbraw/zinc/02/72/66/209027266.db2.gz ONGCISAFCRHOFU-FSPWUOQZSA-N 1 1 374.395 1.040 50 0 FDAAMO O=C(c1ccc(-n2cnnn2)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095362107 209029312 /nfs/dbraw/zinc/02/93/12/209029312.db2.gz GNPFOPQTJPXGAN-VQIMIIECSA-N 1 1 366.469 1.999 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000095386085 209044852 /nfs/dbraw/zinc/04/48/52/209044852.db2.gz TYKXUZMUCZZGLQ-QGZVFWFLSA-N 1 1 359.451 1.007 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000095386085 209044856 /nfs/dbraw/zinc/04/48/56/209044856.db2.gz TYKXUZMUCZZGLQ-QGZVFWFLSA-N 1 1 359.451 1.007 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)c3n[nH]c4ccccc43)CC[N@H+]2C)CCC1=O ZINC000095370610 209032749 /nfs/dbraw/zinc/03/27/49/209032749.db2.gz UUENHJNIBLAHHW-FQEVSTJZSA-N 1 1 369.469 1.722 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000095373822 209037399 /nfs/dbraw/zinc/03/73/99/209037399.db2.gz LIHVXKHMOVPZQW-DLBZAZTESA-N 1 1 367.497 1.923 50 0 FDAAMO Cc1nc2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000095373822 209037401 /nfs/dbraw/zinc/03/74/01/209037401.db2.gz LIHVXKHMOVPZQW-DLBZAZTESA-N 1 1 367.497 1.923 50 0 FDAAMO Cc1nc2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000095373822 209037402 /nfs/dbraw/zinc/03/74/02/209037402.db2.gz LIHVXKHMOVPZQW-DLBZAZTESA-N 1 1 367.497 1.923 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000095401944 209047854 /nfs/dbraw/zinc/04/78/54/209047854.db2.gz BAICXXCYCWAWJS-HZMVEIRTSA-N 1 1 368.522 1.120 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000095401944 209047855 /nfs/dbraw/zinc/04/78/55/209047855.db2.gz BAICXXCYCWAWJS-HZMVEIRTSA-N 1 1 368.522 1.120 50 0 FDAAMO O[C@H](COc1ccccc1CN1CCCOCC1)C[NH+]1CCSCC1 ZINC000095500098 209061572 /nfs/dbraw/zinc/06/15/72/209061572.db2.gz KHBJMZNYTFLZIO-SFHVURJKSA-N 1 1 366.527 1.697 50 0 FDAAMO CCC[C@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CC[N@H+]1CCOC ZINC000095452150 209052701 /nfs/dbraw/zinc/05/27/01/209052701.db2.gz KXVSSOQUTKQZQA-INIZCTEOSA-N 1 1 359.474 1.784 50 0 FDAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)c2cc(C)no2)CC1 ZINC000095957629 209089864 /nfs/dbraw/zinc/08/98/64/209089864.db2.gz YSGIABCTYCDRJY-OAHLLOKOSA-N 1 1 363.462 1.325 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccnc1C)CC2 ZINC000095502790 209064083 /nfs/dbraw/zinc/06/40/83/209064083.db2.gz ZGTFCEOMAGDOSZ-UHFFFAOYSA-N 1 1 356.474 1.701 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@@H]2CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000095504174 209064959 /nfs/dbraw/zinc/06/49/59/209064959.db2.gz RHXRJBDBFQPMDC-QGZVFWFLSA-N 1 1 367.453 1.532 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc3ncccn3n1)CC2 ZINC000095516933 209071383 /nfs/dbraw/zinc/07/13/83/209071383.db2.gz USNMYONWSUQPIS-UHFFFAOYSA-N 1 1 365.441 1.462 50 0 FDAAMO Cc1nc2ncnn2c(N2CCC([N@H+](C)CC(=O)NC(C)C)CC2)c1C ZINC000095450200 132211095 /nfs/dbraw/zinc/21/10/95/132211095.db2.gz UWSOOKKHTOAMTR-UHFFFAOYSA-N 1 1 359.478 1.166 50 0 FDAAMO Cc1cc(N2CCC([NH2+]CCc3ccnn3C)CC2)nc(N2CCCC2)n1 ZINC000095530723 132215030 /nfs/dbraw/zinc/21/50/30/132215030.db2.gz DQHLZEWVBYJDKB-UHFFFAOYSA-N 1 1 369.517 1.920 50 0 FDAAMO Cc1cc2c(ncnc2N2CCC([NH2+]Cc3nc(C(N)=O)no3)CC2)s1 ZINC000096141853 132220261 /nfs/dbraw/zinc/22/02/61/132220261.db2.gz BGHYWWHKHZNKFW-UHFFFAOYSA-N 1 1 373.442 1.240 50 0 FDAAMO CC[N@@H+](Cc1cc2ccc(C)cc2nc1N1CCOCC1)[C@H]1COC[C@@H]1O ZINC000215784521 132270830 /nfs/dbraw/zinc/27/08/30/132270830.db2.gz NXUHQEHTQMILPR-PMACEKPBSA-N 1 1 371.481 1.961 50 0 FDAAMO Cc1ncnc(N2CCN(C(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1C ZINC000299755661 132297940 /nfs/dbraw/zinc/29/79/40/132297940.db2.gz GLHYAVNCRQUPQT-QGZVFWFLSA-N 1 1 361.490 1.241 50 0 FDAAMO CC(C)c1nc(CNC(=O)c2ccc(N3CC[N@@H+](C)[C@@H](C)C3)nc2)no1 ZINC000071315318 136138930 /nfs/dbraw/zinc/13/89/30/136138930.db2.gz FGNRULMOWMJZAO-ZDUSSCGKSA-N 1 1 358.446 1.658 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccc(C)nn3)CC2)C1 ZINC000071662220 136139654 /nfs/dbraw/zinc/13/96/54/136139654.db2.gz GRWSUNVPGWOGGN-MRXNPFEDSA-N 1 1 361.490 1.228 50 0 FDAAMO Cc1cc2nc(C(C)C)cc(N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)n2n1 ZINC000072453480 136148344 /nfs/dbraw/zinc/14/83/44/136148344.db2.gz HYYINMNRQRPLFN-UHFFFAOYSA-N 1 1 370.501 1.952 50 0 FDAAMO O=C(Nc1ccc(-n2cncn2)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000095531511 209078591 /nfs/dbraw/zinc/07/85/91/209078591.db2.gz IHHKIDJRMRNXKG-QGZVFWFLSA-N 1 1 356.430 1.596 50 0 FDAAMO Cc1cc[nH+]c(N2CCN(C(=O)c3nn(C)cc3Br)CC2)c1 ZINC000332491535 259270685 /nfs/dbraw/zinc/27/06/85/259270685.db2.gz XBSAFSYQNJYSTO-UHFFFAOYSA-N 1 1 364.247 1.848 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)N(CCO)Cc1ccccc1F ZINC000426504679 263612006 /nfs/dbraw/zinc/61/20/06/263612006.db2.gz YGXTTYVYPSPNOG-OAHLLOKOSA-N 1 1 353.438 1.034 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 ZINC000010330969 518533652 /nfs/dbraw/zinc/53/36/52/518533652.db2.gz XFQKSZPQTHQUQD-ZDUSSCGKSA-N 1 1 359.382 1.408 50 0 FDAAMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000012940972 518643409 /nfs/dbraw/zinc/64/34/09/518643409.db2.gz JTDGWEWJCXXRRL-INIZCTEOSA-N 1 1 359.470 1.893 50 0 FDAAMO CC(C)Cn1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000014075206 518672247 /nfs/dbraw/zinc/67/22/47/518672247.db2.gz NNNSMMBMHMGFEU-OKILXGFUSA-N 1 1 361.490 1.568 50 0 FDAAMO CC(C)Cn1c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000014075206 518672250 /nfs/dbraw/zinc/67/22/50/518672250.db2.gz NNNSMMBMHMGFEU-OKILXGFUSA-N 1 1 361.490 1.568 50 0 FDAAMO CCc1c(C)nc2n(c1=O)[C@@H](CC(=O)N1CC[NH+](CC)CC1)CS2 ZINC000014035411 518673315 /nfs/dbraw/zinc/67/33/15/518673315.db2.gz IIRADWGPYHCXCN-ZDUSSCGKSA-N 1 1 350.488 1.315 50 0 FDAAMO CC(C)C[N@H+]1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000014741952 518697603 /nfs/dbraw/zinc/69/76/03/518697603.db2.gz OYLLRMCAQBUYGK-QRVBRYPASA-N 1 1 367.534 1.208 50 0 FDAAMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000016484615 518760764 /nfs/dbraw/zinc/76/07/64/518760764.db2.gz DPAUDFIXTMDZIC-ZDUSSCGKSA-N 1 1 369.487 1.758 50 0 FDAAMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000016484615 518760773 /nfs/dbraw/zinc/76/07/73/518760773.db2.gz DPAUDFIXTMDZIC-ZDUSSCGKSA-N 1 1 369.487 1.758 50 0 FDAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(N)nc3)C[C@@H]2CCO)cc1C ZINC000019225980 518803848 /nfs/dbraw/zinc/80/38/48/518803848.db2.gz PEWICXNEKMCYTE-SFHVURJKSA-N 1 1 371.485 1.445 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(N)nc3)C[C@@H]2CCO)cc1C ZINC000019225980 518803857 /nfs/dbraw/zinc/80/38/57/518803857.db2.gz PEWICXNEKMCYTE-SFHVURJKSA-N 1 1 371.485 1.445 50 0 FDAAMO O[C@H]1C[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1N1CCOCC1 ZINC000019740810 518831989 /nfs/dbraw/zinc/83/19/89/518831989.db2.gz DVHJUZXVLKYXHO-OALUTQOASA-N 1 1 365.905 1.686 50 0 FDAAMO CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(CC)cc1 ZINC000019820895 518837411 /nfs/dbraw/zinc/83/74/11/518837411.db2.gz YNILANWCUMEALI-CVEARBPZSA-N 1 1 359.513 1.578 50 0 FDAAMO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CC[NH+](C)CC1 ZINC000019880328 518839193 /nfs/dbraw/zinc/83/91/93/518839193.db2.gz WKMDVPKYBCXPLC-UHFFFAOYSA-N 1 1 371.441 1.235 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000020019618 518843998 /nfs/dbraw/zinc/84/39/98/518843998.db2.gz YUXNFJVWJMDGRM-CQSZACIVSA-N 1 1 361.442 1.221 50 0 FDAAMO CCCc1cc(N2CC[NH+](CCO)CC2)n2nc3nc(C)cc(C)c3c2n1 ZINC000020548734 518853570 /nfs/dbraw/zinc/85/35/70/518853570.db2.gz IACPDUVMBLAJNH-UHFFFAOYSA-N 1 1 368.485 1.961 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938221 518887691 /nfs/dbraw/zinc/88/76/91/518887691.db2.gz NCHMWRQKCPEQGJ-GOSISDBHSA-N 1 1 372.469 1.450 50 0 FDAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1=O ZINC000022697829 518907977 /nfs/dbraw/zinc/90/79/77/518907977.db2.gz OUNGZAROXGTCKG-LJQANCHMSA-N 1 1 372.469 1.241 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000022919516 518922340 /nfs/dbraw/zinc/92/23/40/518922340.db2.gz WJJORQKUOJKYFY-SFHVURJKSA-N 1 1 374.485 1.506 50 0 FDAAMO COc1cc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000022919516 518922351 /nfs/dbraw/zinc/92/23/51/518922351.db2.gz WJJORQKUOJKYFY-SFHVURJKSA-N 1 1 374.485 1.506 50 0 FDAAMO NC(=O)C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000029502317 519296495 /nfs/dbraw/zinc/29/64/95/519296495.db2.gz FJRNEBIDLGNPIC-UHFFFAOYSA-N 1 1 354.204 1.512 50 0 FDAAMO NC(=O)NCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000032819627 519542999 /nfs/dbraw/zinc/54/29/99/519542999.db2.gz FZLPLMDTQJZTTN-SFHVURJKSA-N 1 1 352.438 1.859 50 0 FDAAMO Cc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035360361 519605237 /nfs/dbraw/zinc/60/52/37/519605237.db2.gz NTQMPZXGYNPKCJ-KXBFYZLASA-N 1 1 351.450 1.830 50 0 FDAAMO CCCn1ncc(C[N@@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1C ZINC000082119999 521672004 /nfs/dbraw/zinc/67/20/04/521672004.db2.gz CQIXHMBOPWBYFB-UHFFFAOYSA-N 1 1 373.505 1.975 50 0 FDAAMO CCCn1ncc(C[N@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)c1C ZINC000082119999 521672006 /nfs/dbraw/zinc/67/20/06/521672006.db2.gz CQIXHMBOPWBYFB-UHFFFAOYSA-N 1 1 373.505 1.975 50 0 FDAAMO CCOCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082115259 521673706 /nfs/dbraw/zinc/67/37/06/521673706.db2.gz ZNMUHXPPYMQESM-QGZVFWFLSA-N 1 1 365.518 1.738 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000057178579 522025752 /nfs/dbraw/zinc/02/57/52/522025752.db2.gz XIVFQUJULBTERZ-QGZVFWFLSA-N 1 1 368.522 1.481 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cc3c(nc4c(C)cccn4c3=O)n2C)CC1 ZINC000057364363 522073505 /nfs/dbraw/zinc/07/35/05/522073505.db2.gz XQNVDGBIDMAYAS-UHFFFAOYSA-N 1 1 353.426 1.272 50 0 FDAAMO COc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000071282765 522108654 /nfs/dbraw/zinc/10/86/54/522108654.db2.gz OATLFFXDGHTATM-SFHVURJKSA-N 1 1 357.454 1.648 50 0 FDAAMO CC(C)[C@H]1CN(C(=O)CCNC(N)=O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071422099 522114376 /nfs/dbraw/zinc/11/43/76/522114376.db2.gz XQMWKCUSVBPSCU-QGZVFWFLSA-N 1 1 364.465 1.943 50 0 FDAAMO COCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071639443 522116110 /nfs/dbraw/zinc/11/61/10/522116110.db2.gz VQJUTSANVSYDDU-IBGZPJMESA-N 1 1 374.529 1.911 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000071747205 522123449 /nfs/dbraw/zinc/12/34/49/522123449.db2.gz MPHNJRHLJBZGND-OAHLLOKOSA-N 1 1 363.458 1.359 50 0 FDAAMO CCN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071752819 522127079 /nfs/dbraw/zinc/12/70/79/522127079.db2.gz LXWOTEKFRVHJTF-LJQANCHMSA-N 1 1 374.529 1.599 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071770979 522132774 /nfs/dbraw/zinc/13/27/74/522132774.db2.gz CQOJHOPQRVVOGJ-MRXNPFEDSA-N 1 1 374.485 1.190 50 0 FDAAMO Cc1cccnc1NCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000072120852 522152721 /nfs/dbraw/zinc/15/27/21/522152721.db2.gz JBJVPMUUTWAJBS-MRXNPFEDSA-N 1 1 359.474 1.051 50 0 FDAAMO C[C@H](CN(C)c1nc(-c2cccnc2)nc2c1cnn2C)[NH+]1CCOCC1 ZINC000072134353 522165013 /nfs/dbraw/zinc/16/50/13/522165013.db2.gz JVYFANIRXYNXGV-CQSZACIVSA-N 1 1 367.457 1.582 50 0 FDAAMO Cc1[nH]nc(CCC(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)c1C ZINC000072147760 522172690 /nfs/dbraw/zinc/17/26/90/522172690.db2.gz WMODTTMNOUPQBW-UXHICEINSA-N 1 1 368.481 1.894 50 0 FDAAMO CCNC(=O)CN1CC[NH+](Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000072156928 522184520 /nfs/dbraw/zinc/18/45/20/522184520.db2.gz NLXBWLHHZLJEHO-UHFFFAOYSA-N 1 1 355.486 1.743 50 0 FDAAMO O=C(c1cc[nH]n1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072162542 522189375 /nfs/dbraw/zinc/18/93/75/522189375.db2.gz KOHUPVWZFLQSAN-GDIGMMSISA-N 1 1 366.421 1.841 50 0 FDAAMO CCc1noc(CN(CC)C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n1 ZINC000072167811 522197189 /nfs/dbraw/zinc/19/71/89/522197189.db2.gz JBXUAFKKUZMUCD-ZDUSSCGKSA-N 1 1 365.478 1.217 50 0 FDAAMO CCc1noc(CN(CC)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n1 ZINC000072167811 522197196 /nfs/dbraw/zinc/19/71/96/522197196.db2.gz JBXUAFKKUZMUCD-ZDUSSCGKSA-N 1 1 365.478 1.217 50 0 FDAAMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)cc2)n1 ZINC000072171508 522200171 /nfs/dbraw/zinc/20/01/71/522200171.db2.gz MQKOPTPDDJWVQI-GOSISDBHSA-N 1 1 367.453 1.182 50 0 FDAAMO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(F)cc2)c(=O)[nH]c1C ZINC000072172929 522200402 /nfs/dbraw/zinc/20/04/02/522200402.db2.gz KNLBXLLEPQSEKS-INIZCTEOSA-N 1 1 372.400 1.184 50 0 FDAAMO C[C@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)NC(=O)C1CCCC1 ZINC000072277566 522205273 /nfs/dbraw/zinc/20/52/73/522205273.db2.gz YGWIWDJTMPUJHM-SJLPKXTDSA-N 1 1 365.518 1.785 50 0 FDAAMO Nc1cc(C(=O)N2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)ccn1 ZINC000072407529 522237443 /nfs/dbraw/zinc/23/74/43/522237443.db2.gz GGJQEDDIRUUQBI-LJQANCHMSA-N 1 1 368.481 1.805 50 0 FDAAMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072419423 522248830 /nfs/dbraw/zinc/24/88/30/522248830.db2.gz FSJQIHCWWBJWRF-INIZCTEOSA-N 1 1 357.506 1.914 50 0 FDAAMO Cn1ccnc1C[N@H+]1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072419423 522248840 /nfs/dbraw/zinc/24/88/40/522248840.db2.gz FSJQIHCWWBJWRF-INIZCTEOSA-N 1 1 357.506 1.914 50 0 FDAAMO CN1CCN(Cc2ccc(C[NH+]3CCCC3)s2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072423024 522253005 /nfs/dbraw/zinc/25/30/05/522253005.db2.gz XMQKFUQYYDGNIB-SJORKVTESA-N 1 1 369.556 1.257 50 0 FDAAMO O=C1N(Cc2ccccc2)CCC12CCN(C[C@]1(O)CCC[NH2+]C1)CC2 ZINC000072423193 522257145 /nfs/dbraw/zinc/25/71/45/522257145.db2.gz JHIUDUOAZSNLCW-NRFANRHFSA-N 1 1 357.498 1.616 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1 ZINC000072429741 522263636 /nfs/dbraw/zinc/26/36/36/522263636.db2.gz NSPYJCRWNHJWIR-QGZVFWFLSA-N 1 1 370.501 1.730 50 0 FDAAMO Cn1nc(CN2C[C@H](O)[C@@H]([N@H+]3CCCOCC3)C2)c2c1cccc2Cl ZINC000072431723 522268183 /nfs/dbraw/zinc/26/81/83/522268183.db2.gz UEPMSKLKZAAFJI-IRXDYDNUSA-N 1 1 364.877 1.494 50 0 FDAAMO CSCCC[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072434265 522272000 /nfs/dbraw/zinc/27/20/00/522272000.db2.gz AJPWOIWCHJYZJP-OAHLLOKOSA-N 1 1 353.536 1.580 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3nc(C(N)=O)cs3)C[C@@H]2CCO)cc1 ZINC000072462688 522287222 /nfs/dbraw/zinc/28/72/22/522287222.db2.gz QCSMPTSTFNFZGG-HNNXBMFYSA-N 1 1 360.483 1.624 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3nc(C(N)=O)cs3)C[C@@H]2CCO)cc1 ZINC000072462688 522287234 /nfs/dbraw/zinc/28/72/34/522287234.db2.gz QCSMPTSTFNFZGG-HNNXBMFYSA-N 1 1 360.483 1.624 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072468779 522289827 /nfs/dbraw/zinc/28/98/27/522289827.db2.gz PEQVNNWZCQLQAP-INIZCTEOSA-N 1 1 356.474 1.422 50 0 FDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000061722117 522489663 /nfs/dbraw/zinc/48/96/63/522489663.db2.gz WPMZFIWYXXZEOO-GOSISDBHSA-N 1 1 357.454 1.648 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC(Cc2n[nH]c(=O)n2CC)CC1 ZINC000065385740 522812484 /nfs/dbraw/zinc/81/24/84/522812484.db2.gz JWUMJLWDASTCRE-INIZCTEOSA-N 1 1 363.506 1.637 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCn1ncc2ccccc2c1=O ZINC000065470373 522823961 /nfs/dbraw/zinc/82/39/61/522823961.db2.gz NXEDWRWYFLBNHL-LJQANCHMSA-N 1 1 362.433 1.569 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCn1ncc2ccccc2c1=O ZINC000065470373 522823973 /nfs/dbraw/zinc/82/39/73/522823973.db2.gz NXEDWRWYFLBNHL-LJQANCHMSA-N 1 1 362.433 1.569 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)c1ccco1 ZINC000049544749 522846085 /nfs/dbraw/zinc/84/60/85/522846085.db2.gz CVPTVECFIIOJCB-OAHLLOKOSA-N 1 1 368.397 1.218 50 0 FDAAMO O=C(c1ccc(CN2CCCC2=O)cc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000049605852 522848563 /nfs/dbraw/zinc/84/85/63/522848563.db2.gz CCWTYDALPMNXFE-LJQANCHMSA-N 1 1 371.481 1.746 50 0 FDAAMO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000154792945 523099435 /nfs/dbraw/zinc/09/94/35/523099435.db2.gz PKLCVIMBWBKMOI-AAEUAGOBSA-N 1 1 364.389 1.566 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)CCOC)CC1 ZINC000091585770 523206536 /nfs/dbraw/zinc/20/65/36/523206536.db2.gz MBXFUCUJOZLINM-UHFFFAOYSA-N 1 1 360.462 1.594 50 0 FDAAMO CCn1c(=O)n(CC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)nc1-c1ccccc1 ZINC000077406290 523325333 /nfs/dbraw/zinc/32/53/33/523325333.db2.gz NVHRMTHUNDAZIV-DLBZAZTESA-N 1 1 369.469 1.427 50 0 FDAAMO O[C@@]1(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CNCCOC1 ZINC000077437599 523334602 /nfs/dbraw/zinc/33/46/02/523334602.db2.gz GDFFTVDWUIVLSC-LJQANCHMSA-N 1 1 358.442 1.267 50 0 FDAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)c(=O)[nH]2)c2cccnc12 ZINC000077486448 523357690 /nfs/dbraw/zinc/35/76/90/523357690.db2.gz ZRSPJFWBBQONHW-UHFFFAOYSA-N 1 1 352.394 1.663 50 0 FDAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 ZINC000077490113 523361494 /nfs/dbraw/zinc/36/14/94/523361494.db2.gz MADGZIDUGWHLIB-GFCCVEGCSA-N 1 1 368.484 1.453 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c(OC)c1 ZINC000077505428 523366636 /nfs/dbraw/zinc/36/66/36/523366636.db2.gz XIXFBPKUTGGCDH-QZTJIDSGSA-N 1 1 371.437 1.464 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c(OC)c1 ZINC000077505428 523366641 /nfs/dbraw/zinc/36/66/41/523366641.db2.gz XIXFBPKUTGGCDH-QZTJIDSGSA-N 1 1 371.437 1.464 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c(C)n1 ZINC000091320813 523370997 /nfs/dbraw/zinc/37/09/97/523370997.db2.gz NKRYYLRZCBTYSX-MRXNPFEDSA-N 1 1 368.489 1.964 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 ZINC000067490463 523471021 /nfs/dbraw/zinc/47/10/21/523471021.db2.gz ZRCAFRZABJTGAB-MRXNPFEDSA-N 1 1 373.501 1.116 50 0 FDAAMO COc1ccc(-c2nc(C[N@H+](C)C[C@H](O)CO)c(C)o2)c(OC)c1C ZINC000067690672 523545920 /nfs/dbraw/zinc/54/59/20/523545920.db2.gz SGXVIBORCIVNQH-ZDUSSCGKSA-N 1 1 350.415 1.761 50 0 FDAAMO COc1ccc(-c2nc(C[N@@H+](C)C[C@H](O)CO)c(C)o2)c(OC)c1C ZINC000067690672 523545921 /nfs/dbraw/zinc/54/59/21/523545921.db2.gz SGXVIBORCIVNQH-ZDUSSCGKSA-N 1 1 350.415 1.761 50 0 FDAAMO CCc1n[nH]cc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000067714446 523556861 /nfs/dbraw/zinc/55/68/61/523556861.db2.gz SGXXDQGWVTUGTP-CQSZACIVSA-N 1 1 373.501 1.567 50 0 FDAAMO CCc1ccc(C[N@@H+]2C[C@H]3OC(=O)N(CCCN4CCOCC4)[C@H]3C2)cc1 ZINC000067757757 523570995 /nfs/dbraw/zinc/57/09/95/523570995.db2.gz RUZYIDRMRVLWAD-VQTJNVASSA-N 1 1 373.497 1.976 50 0 FDAAMO CCc1ccc(C[N@H+]2C[C@H]3OC(=O)N(CCCN4CCOCC4)[C@H]3C2)cc1 ZINC000067757757 523571000 /nfs/dbraw/zinc/57/10/00/523571000.db2.gz RUZYIDRMRVLWAD-VQTJNVASSA-N 1 1 373.497 1.976 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000067770506 523577717 /nfs/dbraw/zinc/57/77/17/523577717.db2.gz DSETZGZJZNPBIW-KRWDZBQOSA-N 1 1 360.502 1.521 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CC(n3cccn3)C2)nc1 ZINC000067822094 523596451 /nfs/dbraw/zinc/59/64/51/523596451.db2.gz LWLBYCDROPDZQZ-QGZVFWFLSA-N 1 1 368.485 1.944 50 0 FDAAMO CCn1ccnc1C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067868426 523613115 /nfs/dbraw/zinc/61/31/15/523613115.db2.gz QAVZPDBQLYHZKM-FQEVSTJZSA-N 1 1 372.469 1.555 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067946419 523645363 /nfs/dbraw/zinc/64/53/63/523645363.db2.gz ALVKTJRRTDAYMW-UHFFFAOYSA-N 1 1 374.347 1.863 50 0 FDAAMO Cn1c(=O)[nH]cc(CC[N@H+]2CCc3onc(-c4ccccc4)c3C2)c1=O ZINC000067975796 523654525 /nfs/dbraw/zinc/65/45/25/523654525.db2.gz BSMLOWIJCKSHMQ-UHFFFAOYSA-N 1 1 352.394 1.329 50 0 FDAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000055371341 523803779 /nfs/dbraw/zinc/80/37/79/523803779.db2.gz JVIPUJYYHXMYNQ-INIZCTEOSA-N 1 1 364.409 1.243 50 0 FDAAMO COc1ccc(C[NH2+]CC2CC2)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020327490 524069733 /nfs/dbraw/zinc/06/97/33/524069733.db2.gz RVKIDYUQVVVKAE-GOSISDBHSA-N 1 1 363.502 1.182 50 0 FDAAMO O=C(CCc1cn2ccccc2n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000082086676 524207298 /nfs/dbraw/zinc/20/72/98/524207298.db2.gz QXWVMYMMIQCOCK-SFHVURJKSA-N 1 1 356.470 1.980 50 0 FDAAMO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2cnc(COC)nc2)CC1 ZINC000082098368 524209471 /nfs/dbraw/zinc/20/94/71/524209471.db2.gz CWDGKIVWBFWCNX-UHFFFAOYSA-N 1 1 373.505 1.676 50 0 FDAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082099560 524209936 /nfs/dbraw/zinc/20/99/36/524209936.db2.gz INDUZKXEWIBAPT-OAHLLOKOSA-N 1 1 353.463 1.178 50 0 FDAAMO Cn1ncnc1CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000087192520 524420085 /nfs/dbraw/zinc/42/00/85/524420085.db2.gz YJXJPLSWRDXUMM-UHFFFAOYSA-N 1 1 370.501 1.708 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nc3ccccc3n1C)C2 ZINC000091270289 524687791 /nfs/dbraw/zinc/68/77/91/524687791.db2.gz IICWWKFMNVIYCP-JKSUJKDBSA-N 1 1 355.486 1.558 50 0 FDAAMO CCNc1cc[nH+]c(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)n1 ZINC000091325534 524691240 /nfs/dbraw/zinc/69/12/40/524691240.db2.gz DTAXKYOOHNSBIN-UHFFFAOYSA-N 1 1 368.449 1.061 50 0 FDAAMO C[N@H+]1CCN(Cc2nccn2Cc2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000091319780 524691410 /nfs/dbraw/zinc/69/14/10/524691410.db2.gz GFHFCBKRIFCFOE-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000091350764 524694103 /nfs/dbraw/zinc/69/41/03/524694103.db2.gz PHHAWMUMHDEBSA-VQIMIIECSA-N 1 1 374.510 1.787 50 0 FDAAMO COc1ccc([C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2NC(C)=O)cc1 ZINC000091411793 524699074 /nfs/dbraw/zinc/69/90/74/524699074.db2.gz XSUVBSQMMHOPQC-MOPGFXCFSA-N 1 1 359.470 1.612 50 0 FDAAMO COc1ccc([C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2NC(C)=O)cc1 ZINC000091411793 524699081 /nfs/dbraw/zinc/69/90/81/524699081.db2.gz XSUVBSQMMHOPQC-MOPGFXCFSA-N 1 1 359.470 1.612 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)C1 ZINC000091445141 524704673 /nfs/dbraw/zinc/70/46/73/524704673.db2.gz BJPOTMISLLPJHL-ZDUSSCGKSA-N 1 1 350.463 1.156 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)N3CCCC3)CC2)n1C ZINC000091452165 524708885 /nfs/dbraw/zinc/70/88/85/524708885.db2.gz VMWVUJKVRWIGJH-UHFFFAOYSA-N 1 1 357.462 1.764 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cnc(N)nc2-c2ccccc2)C[C@@H]1CO ZINC000091526107 524719826 /nfs/dbraw/zinc/71/98/26/524719826.db2.gz MTGDGFXHNCFCOL-HZPDHXFCSA-N 1 1 369.469 1.358 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC000091625431 524746295 /nfs/dbraw/zinc/74/62/95/524746295.db2.gz IOBMXGVNCKRMII-CHWSQXEVSA-N 1 1 363.405 1.956 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccc(C(F)(F)F)nc1)C2 ZINC000091625431 524746310 /nfs/dbraw/zinc/74/63/10/524746310.db2.gz IOBMXGVNCKRMII-CHWSQXEVSA-N 1 1 363.405 1.956 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2 ZINC000091656747 524753942 /nfs/dbraw/zinc/75/39/42/524753942.db2.gz TWHLCKVDFYTNLI-MRXNPFEDSA-N 1 1 371.485 1.164 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)s1 ZINC000091655982 524754625 /nfs/dbraw/zinc/75/46/25/524754625.db2.gz YCTNUNYCRGUEMV-HZPDHXFCSA-N 1 1 351.516 1.375 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)s1 ZINC000091655982 524754630 /nfs/dbraw/zinc/75/46/30/524754630.db2.gz YCTNUNYCRGUEMV-HZPDHXFCSA-N 1 1 351.516 1.375 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)s1 ZINC000091655982 524754637 /nfs/dbraw/zinc/75/46/37/524754637.db2.gz YCTNUNYCRGUEMV-HZPDHXFCSA-N 1 1 351.516 1.375 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)C[C@@H]2CO)CC1 ZINC000091829723 524793554 /nfs/dbraw/zinc/79/35/54/524793554.db2.gz SBHWWBADQAVPDB-QZTJIDSGSA-N 1 1 357.498 1.033 50 0 FDAAMO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000093173507 524959501 /nfs/dbraw/zinc/95/95/01/524959501.db2.gz UGZYKCSSYXDBIM-RHSMWYFYSA-N 1 1 351.878 1.876 50 0 FDAAMO Cn1cc[nH+]c1CC1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 ZINC000162670677 525296446 /nfs/dbraw/zinc/29/64/46/525296446.db2.gz RYJRLKKYIRGGIM-UHFFFAOYSA-N 1 1 351.414 1.491 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000169678743 525626264 /nfs/dbraw/zinc/62/62/64/525626264.db2.gz XUKBVRNKIUUYAQ-ZWKOTPCHSA-N 1 1 350.459 1.247 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000169678743 525626273 /nfs/dbraw/zinc/62/62/73/525626273.db2.gz XUKBVRNKIUUYAQ-ZWKOTPCHSA-N 1 1 350.459 1.247 50 0 FDAAMO CCOc1ccc(C[N@H+](C[C@H](C)O)C2CCS(=O)(=O)CC2)cc1OC ZINC000170606921 525642511 /nfs/dbraw/zinc/64/25/11/525642511.db2.gz ZGDREWDKADIOJT-AWEZNQCLSA-N 1 1 371.499 1.854 50 0 FDAAMO CCOc1ccc(C[N@@H+](C[C@H](C)O)C2CCS(=O)(=O)CC2)cc1OC ZINC000170606921 525642525 /nfs/dbraw/zinc/64/25/25/525642525.db2.gz ZGDREWDKADIOJT-AWEZNQCLSA-N 1 1 371.499 1.854 50 0 FDAAMO COc1ccc2nc(CNC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)[nH]c2c1 ZINC000244787705 525667968 /nfs/dbraw/zinc/66/79/68/525667968.db2.gz QCBQHBQBNILJBY-TXEJJXNPSA-N 1 1 369.429 1.535 50 0 FDAAMO C[C@@H](C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)CS(C)(=O)=O ZINC000119316720 525706751 /nfs/dbraw/zinc/70/67/51/525706751.db2.gz FCKLIOOIZULLEH-INIZCTEOSA-N 1 1 353.532 1.701 50 0 FDAAMO CSc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091444489 525983221 /nfs/dbraw/zinc/98/32/21/525983221.db2.gz MNYAISFGOLYIRW-IAGOWNOFSA-N 1 1 364.511 1.350 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000091486147 526454581 /nfs/dbraw/zinc/45/45/81/526454581.db2.gz OVJPLGKQMXWJOW-QGZVFWFLSA-N 1 1 358.486 1.423 50 0 FDAAMO O=C(CCNc1ncnc2nc[nH]c21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020677920 526516311 /nfs/dbraw/zinc/51/63/11/526516311.db2.gz PTIXOZCNHXNIPA-UHFFFAOYSA-N 1 1 365.441 1.499 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2ncnc4[nH]ccc42)CC3)C1 ZINC000091574673 536477447 /nfs/dbraw/zinc/47/74/47/536477447.db2.gz IPFRKZZYKSHLFZ-HNNXBMFYSA-N 1 1 368.485 1.871 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247745743 526985600 /nfs/dbraw/zinc/98/56/00/526985600.db2.gz PVFANNGMTOWGTE-TVFCKZIOSA-N 1 1 365.433 1.815 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247745743 526985605 /nfs/dbraw/zinc/98/56/05/526985605.db2.gz PVFANNGMTOWGTE-TVFCKZIOSA-N 1 1 365.433 1.815 50 0 FDAAMO CCO[C@H]1C[N@@H+](CCCN2CCN(c3cccc(Cl)c3)CC2)C[C@@H]1O ZINC000223271529 535634606 /nfs/dbraw/zinc/63/46/06/535634606.db2.gz DBZUQQOWDXBCQA-OALUTQOASA-N 1 1 367.921 1.934 50 0 FDAAMO CCc1cnc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc1 ZINC000071759984 536056172 /nfs/dbraw/zinc/05/61/72/536056172.db2.gz NXMNRJCGYHLFNI-INIZCTEOSA-N 1 1 357.502 1.998 50 0 FDAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)C4CCCCC4)CC3)ncn2)CC1 ZINC000072437295 536419926 /nfs/dbraw/zinc/41/99/26/536419926.db2.gz BLUSJRQFSYZXAR-UHFFFAOYSA-N 1 1 372.517 1.457 50 0 FDAAMO COCC(=O)N1CCC[N@@H+](Cc2cc(OC)ccc2-n2cccn2)CC1 ZINC000215140019 537434489 /nfs/dbraw/zinc/43/44/89/537434489.db2.gz FLDJEPBWHVTVAI-UHFFFAOYSA-N 1 1 358.442 1.562 50 0 FDAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)C1=O ZINC000215588819 537439746 /nfs/dbraw/zinc/43/97/46/537439746.db2.gz COKXWDUKNOYDEV-KRWDZBQOSA-N 1 1 350.488 1.424 50 0 FDAAMO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 ZINC000215636498 537439918 /nfs/dbraw/zinc/43/99/18/537439918.db2.gz CKRGWUFGEAVRFI-OALUTQOASA-N 1 1 362.905 1.922 50 0 FDAAMO Cc1cccc2cc(CN3CCC4(CC3)C(=O)NCCC[N@@H+]4C)c(=O)[nH]c12 ZINC000215948948 537443228 /nfs/dbraw/zinc/44/32/28/537443228.db2.gz MPGTYCCDIFMWRH-UHFFFAOYSA-N 1 1 368.481 1.623 50 0 FDAAMO Cc1cccc2cc(C[NH+]3CCC4(CC3)C(=O)NCCCN4C)c(=O)[nH]c12 ZINC000215948948 537443237 /nfs/dbraw/zinc/44/32/37/537443237.db2.gz MPGTYCCDIFMWRH-UHFFFAOYSA-N 1 1 368.481 1.623 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)C1 ZINC000219543737 537476981 /nfs/dbraw/zinc/47/69/81/537476981.db2.gz XAMVQQUHPXMBQQ-HNNXBMFYSA-N 1 1 367.453 1.402 50 0 FDAAMO C[N@@H+]1CCC[C@H](C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)C1 ZINC000219543737 537476985 /nfs/dbraw/zinc/47/69/85/537476985.db2.gz XAMVQQUHPXMBQQ-HNNXBMFYSA-N 1 1 367.453 1.402 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)C1 ZINC000219543737 537476988 /nfs/dbraw/zinc/47/69/88/537476988.db2.gz XAMVQQUHPXMBQQ-HNNXBMFYSA-N 1 1 367.453 1.402 50 0 FDAAMO COc1cc(Cl)ccc1C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000221253810 537498574 /nfs/dbraw/zinc/49/85/74/537498574.db2.gz AJGBHCSPWGEQGQ-UHFFFAOYSA-N 1 1 365.861 1.775 50 0 FDAAMO COc1cccc(CO[C@@H](C)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000225348291 537545779 /nfs/dbraw/zinc/54/57/79/537545779.db2.gz JJZSFMWOGRFWCI-CVEARBPZSA-N 1 1 350.459 1.515 50 0 FDAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000225407226 537547761 /nfs/dbraw/zinc/54/77/61/537547761.db2.gz ICTWSXFMLFGJKR-RHSMWYFYSA-N 1 1 370.453 1.071 50 0 FDAAMO C[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000229712600 537575542 /nfs/dbraw/zinc/57/55/42/537575542.db2.gz QHRUMXOEIMZRML-ZACQAIPSSA-N 1 1 358.486 1.667 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCC(c2ncon2)CC1)c1ccc2c(c1)OCO2 ZINC000244723497 537651240 /nfs/dbraw/zinc/65/12/40/537651240.db2.gz MCTBTOACVNLZRL-INIZCTEOSA-N 1 1 358.398 1.807 50 0 FDAAMO CC(=O)N1CCO[C@@H](CNC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000584899967 551567087 /nfs/dbraw/zinc/56/70/87/551567087.db2.gz HPQSIQKGYBUTJW-IBGZPJMESA-N 1 1 374.485 1.070 50 0 FDAAMO Cc1ccc(NCCCNC(=O)c2ccc3c(c2)N(C)C(=O)CO3)[nH+]c1 ZINC000625978809 556965780 /nfs/dbraw/zinc/96/57/80/556965780.db2.gz MVRDOBAWJVTYEG-UHFFFAOYSA-N 1 1 354.410 1.977 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)N1CCS(=O)(=O)CC1 ZINC000426434527 570605350 /nfs/dbraw/zinc/60/53/50/570605350.db2.gz SCFPDJPZDOGQTQ-KRWDZBQOSA-N 1 1 365.499 1.306 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCS(=O)(=O)CC1 ZINC000426434527 570605352 /nfs/dbraw/zinc/60/53/52/570605352.db2.gz SCFPDJPZDOGQTQ-KRWDZBQOSA-N 1 1 365.499 1.306 50 0 FDAAMO NC(=O)c1ccc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H](O)C3)cc2)o1 ZINC000426552380 570615690 /nfs/dbraw/zinc/61/56/90/570615690.db2.gz UTFQWNCLZBHEMB-MRXNPFEDSA-N 1 1 371.437 1.622 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000046715309 570849247 /nfs/dbraw/zinc/84/92/47/570849247.db2.gz HJYQPJZSMVQHPE-OAHLLOKOSA-N 1 1 370.453 1.227 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)CC1 ZINC000263616548 571046411 /nfs/dbraw/zinc/04/64/11/571046411.db2.gz JJRYWPUQDQYXKO-QGZVFWFLSA-N 1 1 371.441 1.336 50 0 FDAAMO CC(C)C[N@H+]1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 ZINC000084678066 571096236 /nfs/dbraw/zinc/09/62/36/571096236.db2.gz PUMIZIYLDDSIAN-MRXNPFEDSA-N 1 1 371.485 1.515 50 0 FDAAMO Cc1cc(C)n(CCNC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)c(=O)n1 ZINC000230568107 571096466 /nfs/dbraw/zinc/09/64/66/571096466.db2.gz OAMIWQDQKZGZFT-SFHVURJKSA-N 1 1 354.454 1.466 50 0 FDAAMO C[NH+]1CCC(c2ncc(C(=O)N3CCC[C@H](Cn4cncn4)C3)[nH]2)CC1 ZINC000685941494 571101076 /nfs/dbraw/zinc/10/10/76/571101076.db2.gz DDHHXHQAJNMJJG-AWEZNQCLSA-N 1 1 357.462 1.363 50 0 FDAAMO C[N@H+](CCC(=O)N1CCC(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000244874692 571118791 /nfs/dbraw/zinc/11/87/91/571118791.db2.gz XFRSKRVHMMWABF-SFHVURJKSA-N 1 1 364.511 1.902 50 0 FDAAMO C[N@@H+](CCC(=O)N1CCC(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000244874692 571118794 /nfs/dbraw/zinc/11/87/94/571118794.db2.gz XFRSKRVHMMWABF-SFHVURJKSA-N 1 1 364.511 1.902 50 0 FDAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000244882688 571119168 /nfs/dbraw/zinc/11/91/68/571119168.db2.gz XWPCHTTYSUVXRU-NSHDSACASA-N 1 1 356.455 1.881 50 0 FDAAMO C[C@@H](C(=O)N1CCC(c2nc(N)n[nH]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000426477690 571135960 /nfs/dbraw/zinc/13/59/60/571135960.db2.gz GVCHCPORLINDAJ-ZDUSSCGKSA-N 1 1 354.458 1.540 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CCNc2cc([C@H]3CCOC3)[nH+]c(N)n2)n1 ZINC000426658467 571138247 /nfs/dbraw/zinc/13/82/47/571138247.db2.gz QWYIKOVVRLVVFC-JTQLQIEISA-N 1 1 368.363 1.756 50 0 FDAAMO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000090419680 571177059 /nfs/dbraw/zinc/17/70/59/571177059.db2.gz FGTGHXDTFLLVOM-DYVFJYSZSA-N 1 1 361.417 1.774 50 0 FDAAMO CNc1nc(N2CCOc3ccc(CO)cc3C2)cc([C@H]2CCOC2)[nH+]1 ZINC000299755634 571192252 /nfs/dbraw/zinc/19/22/52/571192252.db2.gz CFKTWHIYSQTJRC-AWEZNQCLSA-N 1 1 356.426 1.914 50 0 FDAAMO Cc1ccc(OCC[NH3+])c(C(=O)N2CCN(C3CCSCC3)CC2)c1 ZINC000299757906 571192526 /nfs/dbraw/zinc/19/25/26/571192526.db2.gz LEXOHHLHKQYILH-UHFFFAOYSA-N 1 1 363.527 1.986 50 0 FDAAMO O=C(CCN1CCCCCC1=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000299762918 571194087 /nfs/dbraw/zinc/19/40/87/571194087.db2.gz WONGPUQOGNHJII-UHFFFAOYSA-N 1 1 358.486 1.909 50 0 FDAAMO O=C(CCN1CCCCCC1=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000299762918 571194089 /nfs/dbraw/zinc/19/40/89/571194089.db2.gz WONGPUQOGNHJII-UHFFFAOYSA-N 1 1 358.486 1.909 50 0 FDAAMO O=C(CN1Cc2ccccc2C1)N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000299766498 571194926 /nfs/dbraw/zinc/19/49/26/571194926.db2.gz DOXOHCRBARBOKX-QGZVFWFLSA-N 1 1 357.498 1.698 50 0 FDAAMO Nc1nscc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000299794584 571201902 /nfs/dbraw/zinc/20/19/02/571201902.db2.gz KCLIMVMMGOUZKL-LWGFOQHQSA-N 1 1 369.494 1.023 50 0 FDAAMO Cc1ccc(-c2noc(C[NH+]3CCC4(CC3)N=C(N(C)C)NC4=O)n2)cc1 ZINC000299798462 571202728 /nfs/dbraw/zinc/20/27/28/571202728.db2.gz SKMMPLMGTZPCCS-UHFFFAOYSA-N 1 1 368.441 1.427 50 0 FDAAMO Cc1nnc(C2CCN(C(=O)[C@@H]3CCC[N@H+](C4CCOCC4)C3)CC2)[nH]1 ZINC000426421288 571223075 /nfs/dbraw/zinc/22/30/75/571223075.db2.gz RBGJXGPLZMNWOF-MRXNPFEDSA-N 1 1 361.490 1.710 50 0 FDAAMO O=C(NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCNC(=O)CC1 ZINC000426486074 571227835 /nfs/dbraw/zinc/22/78/35/571227835.db2.gz XBASXEMWWMHULS-SFHVURJKSA-N 1 1 358.486 1.963 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)c1cnn(CC(F)(F)F)c1)[NH+]1CCOCC1 ZINC000252571293 571283541 /nfs/dbraw/zinc/28/35/41/571283541.db2.gz XROWYNYECZBPKB-AWEZNQCLSA-N 1 1 362.396 1.922 50 0 FDAAMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC000253417590 571312683 /nfs/dbraw/zinc/31/26/83/571312683.db2.gz BHKHSGREXIAYIP-JKSUJKDBSA-N 1 1 359.536 1.571 50 0 FDAAMO NC(=O)C1CC[NH+](C2CN(C(=O)c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000390825973 571328124 /nfs/dbraw/zinc/32/81/24/571328124.db2.gz VLJFFVYWEQPTPM-UHFFFAOYSA-N 1 1 371.359 1.607 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNS(=O)(=O)c1cccc2nn(C)nc21 ZINC000670463002 571357326 /nfs/dbraw/zinc/35/73/26/571357326.db2.gz IUJFCXGXMFJKJE-UHFFFAOYSA-N 1 1 362.459 1.657 50 0 FDAAMO CSCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000011879671 670608726 /nfs/dbraw/zinc/60/87/26/670608726.db2.gz PONCJQVVIAZIQJ-KRWDZBQOSA-N 1 1 363.527 1.679 50 0 FDAAMO CSCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000011879671 670608732 /nfs/dbraw/zinc/60/87/32/670608732.db2.gz PONCJQVVIAZIQJ-KRWDZBQOSA-N 1 1 363.527 1.679 50 0 FDAAMO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C2(CCCCC2)C1 ZINC000155568925 671943222 /nfs/dbraw/zinc/94/32/22/671943222.db2.gz LKHHSYVQIGBWDD-UHFFFAOYSA-N 1 1 358.895 1.956 50 0 FDAAMO C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)cnc2N)C2(CCCCC2)C1 ZINC000155568925 671943223 /nfs/dbraw/zinc/94/32/23/671943223.db2.gz LKHHSYVQIGBWDD-UHFFFAOYSA-N 1 1 358.895 1.956 50 0 FDAAMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@](C)(O)c2cccs2)CC1 ZINC000172416594 672067429 /nfs/dbraw/zinc/06/74/29/672067429.db2.gz JUZMFVQCDPIRQN-SFHVURJKSA-N 1 1 362.499 1.718 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)C3CCOCC3)CC2)C12CCOCC2 ZINC000257181735 672630468 /nfs/dbraw/zinc/63/04/68/672630468.db2.gz NVDQOAIOIVUOCD-KRWDZBQOSA-N 1 1 352.475 1.284 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccccc1 ZINC000279346980 675280085 /nfs/dbraw/zinc/28/00/85/675280085.db2.gz CDJVHRIHPHYPIJ-IAGOWNOFSA-N 1 1 365.499 1.316 50 0 FDAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568941 675436727 /nfs/dbraw/zinc/43/67/27/675436727.db2.gz OUSHVNCMRLWBHC-QWHCGFSZSA-N 1 1 366.767 1.839 50 0 FDAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568941 675436729 /nfs/dbraw/zinc/43/67/29/675436729.db2.gz OUSHVNCMRLWBHC-QWHCGFSZSA-N 1 1 366.767 1.839 50 0 FDAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257180398 793896222 /nfs/dbraw/zinc/89/62/22/793896222.db2.gz KSCXGVZJWMCBKO-GOSISDBHSA-N 1 1 358.486 1.716 50 0 FDAAMO CCS(=O)(=O)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802182 794242105 /nfs/dbraw/zinc/24/21/05/794242105.db2.gz HBYZVIQPQLOCLQ-QGZVFWFLSA-N 1 1 372.531 1.461 50 0 FDAAMO CCS(=O)(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802182 794242110 /nfs/dbraw/zinc/24/21/10/794242110.db2.gz HBYZVIQPQLOCLQ-QGZVFWFLSA-N 1 1 372.531 1.461 50 0 FDAAMO CC(C)C(=O)N1CCC2(CC1)[NH2+][C@H](C(=O)N1CCCC1)Cc1nc[nH]c12 ZINC000675015020 795226920 /nfs/dbraw/zinc/22/69/20/795226920.db2.gz RXSAMHGYXUIWSV-HNNXBMFYSA-N 1 1 359.474 1.020 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2ccsn2)CC1 ZINC000298551527 795776133 /nfs/dbraw/zinc/77/61/33/795776133.db2.gz LDTARERIHXXXHM-KRWDZBQOSA-N 1 1 370.478 1.879 50 0 FDAAMO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195512830 809972735 /nfs/dbraw/zinc/97/27/35/809972735.db2.gz LAXORPYLDVKLLQ-INIZCTEOSA-N 1 1 359.426 1.896 50 0 FDAAMO CCOC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)CC1 ZINC000810043993 845649263 /nfs/dbraw/zinc/64/92/63/845649263.db2.gz VNYFCOZHLJXKKQ-HNNXBMFYSA-N 1 1 355.479 1.567 50 0 FDAAMO CCn1ncc(N2CCC[C@H](CC(=O)N3CC[NH+](CC)CC3)C2)cc1=O ZINC000169763607 864497522 /nfs/dbraw/zinc/49/75/22/864497522.db2.gz QKMTZTGUWLLPBV-MRXNPFEDSA-N 1 1 361.490 1.034 50 0 FDAAMO CN(CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)C1)Cc1cccnc1 ZINC000012434495 881960861 /nfs/dbraw/zinc/96/08/61/881960861.db2.gz UGEXDCNQHHYAHT-LJQANCHMSA-N 1 1 353.470 1.689 50 0 FDAAMO CN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)Cc1cccnc1 ZINC000012434495 881960871 /nfs/dbraw/zinc/96/08/71/881960871.db2.gz UGEXDCNQHHYAHT-LJQANCHMSA-N 1 1 353.470 1.689 50 0 FDAAMO C[C@@H](CCn1cccn1)[N@H+]1CCOC2(CCN(Cc3nccn3C)CC2)C1 ZINC000821758563 919993691 /nfs/dbraw/zinc/99/36/91/919993691.db2.gz JRXXCLYEAQWOLX-SFHVURJKSA-N 1 1 372.517 1.762 50 0 FDAAMO CCn1ccc(C(=O)Nc2cc(C)ccc2NC(=O)C[NH+](C)C)cc1=O ZINC000823587862 921941766 /nfs/dbraw/zinc/94/17/66/921941766.db2.gz KBCNJYIRSICYDF-UHFFFAOYSA-N 1 1 356.426 1.929 50 0 FDAAMO O=C(CCc1cn[nH]c1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000828005902 924808314 /nfs/dbraw/zinc/80/83/14/924808314.db2.gz SWLAQDQGHPBRTL-SGDIKTSBSA-N 1 1 365.481 1.026 50 0 FDAAMO O=C(C1CCOCC1)N1CC(c2noc([C@H]3CCC[N@H+]3CC3CC3)n2)C1 ZINC000581800925 927585557 /nfs/dbraw/zinc/58/55/57/927585557.db2.gz BTKJOZOTHSSLCX-MRXNPFEDSA-N 1 1 360.458 1.969 50 0 FDAAMO COCCOCC(=O)N1CCC2(C[C@H](c3nc(C)no3)[N@H+](C)C2)CC1 ZINC000581802820 927588715 /nfs/dbraw/zinc/58/87/15/927588715.db2.gz PJDISXHDYOMLFJ-CQSZACIVSA-N 1 1 352.435 1.026 50 0 FDAAMO COCCOCC(=O)N1CCC2(C[C@H](c3nc(C)no3)[N@@H+](C)C2)CC1 ZINC000581802820 927588716 /nfs/dbraw/zinc/58/87/16/927588716.db2.gz PJDISXHDYOMLFJ-CQSZACIVSA-N 1 1 352.435 1.026 50 0 FDAAMO CO[C@H]1C[N@@H+](C(C)C)[C@H]1C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000581813332 927603812 /nfs/dbraw/zinc/60/38/12/927603812.db2.gz XYMTUEIZYXUAFG-HOTGVXAUSA-N 1 1 371.503 1.800 50 0 FDAAMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000585084750 943911872 /nfs/dbraw/zinc/91/18/72/943911872.db2.gz PUBZTGGYSRRZTB-CQSZACIVSA-N 1 1 350.444 1.841 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCc2nc(-c3ccccc3)cs2)C1 ZINC000952971024 960264966 /nfs/dbraw/zinc/26/49/66/960264966.db2.gz QLKCDIGRYNMZMD-HNNXBMFYSA-N 1 1 372.494 1.666 50 0 FDAAMO CCOc1ccccc1OCCN(C)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952977879 960276319 /nfs/dbraw/zinc/27/63/19/960276319.db2.gz WCJJLUVWABGVAH-OAHLLOKOSA-N 1 1 363.458 1.120 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000952982997 960297754 /nfs/dbraw/zinc/29/77/54/960297754.db2.gz QVFSJUASTNWOJF-HKUYNNGSSA-N 1 1 352.438 1.485 50 0 FDAAMO CN1CC[C@@]2(CN(CCn3c4ccccc4oc3=O)CC[N@H+]2C)CCC1=O ZINC000095387660 1013838753 /nfs/dbraw/zinc/83/87/53/1013838753.db2.gz FPOSWPZENZUSGS-HXUWFJFHSA-N 1 1 372.469 1.223 50 0 FDAAMO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3c(O)c(C)ncc3CO)CC2)n1 ZINC000065489047 981735181 /nfs/dbraw/zinc/73/51/81/981735181.db2.gz BSQFHMZMOJXLKG-UHFFFAOYSA-N 1 1 367.453 1.794 50 0 FDAAMO COc1cccc([C@H](O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC000115533782 999630333 /nfs/dbraw/zinc/63/03/33/999630333.db2.gz NVYLRDQHJZTSCY-QGZVFWFLSA-N 1 1 368.441 1.228 50 0 FDAAMO O=S1(=O)CCN(Cc2ccccc2OCCC[NH+]2CCOCC2)CC1 ZINC000216262650 222662352 /nfs/dbraw/zinc/66/23/52/222662352.db2.gz QRDIJJSOBNKDFB-UHFFFAOYSA-N 1 1 368.499 1.018 50 0 FDAAMO Cn1nc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000096343519 210096025 /nfs/dbraw/zinc/09/60/25/210096025.db2.gz HBFUBCYVJJEDSY-RHSMWYFYSA-N 1 1 354.454 1.928 50 0 FDAAMO O=C(N[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC000299801069 210041070 /nfs/dbraw/zinc/04/10/70/210041070.db2.gz XOFQBXBFHATEGM-MRXNPFEDSA-N 1 1 365.437 1.845 50 0 FDAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC000299801069 210041072 /nfs/dbraw/zinc/04/10/72/210041072.db2.gz XOFQBXBFHATEGM-MRXNPFEDSA-N 1 1 365.437 1.845 50 0 FDAAMO O=C(NCCCc1ccco1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000299779459 210023374 /nfs/dbraw/zinc/02/33/74/210023374.db2.gz RPIOEZXFYCBPOJ-OAHLLOKOSA-N 1 1 354.472 1.228 50 0 FDAAMO COc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1C[NH+](C)C ZINC000299779661 210022586 /nfs/dbraw/zinc/02/25/86/210022586.db2.gz KSHGRUVTLCZBBX-HKUYNNGSSA-N 1 1 357.458 1.694 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C)on3)[C@H](O)C2)c(C)c1C ZINC000299776428 210020929 /nfs/dbraw/zinc/02/09/29/210020929.db2.gz BNARLSGHLPEADB-SJLPKXTDSA-N 1 1 373.453 1.974 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1coc(CN2CCOCC2)c1 ZINC000299770265 210017639 /nfs/dbraw/zinc/01/76/39/210017639.db2.gz QUCATLHSJGFRSO-IBGZPJMESA-N 1 1 369.465 1.898 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1coc(CN2CCOCC2)c1 ZINC000299770265 210017642 /nfs/dbraw/zinc/01/76/42/210017642.db2.gz QUCATLHSJGFRSO-IBGZPJMESA-N 1 1 369.465 1.898 50 0 FDAAMO Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000299756711 210009498 /nfs/dbraw/zinc/00/94/98/210009498.db2.gz DTUBWGFMFCXXRF-UHFFFAOYSA-N 1 1 370.457 1.770 50 0 FDAAMO C[C@@H](CCNC(=O)N(C)Cc1ccc2nonc2c1)N1CC[NH+](C)CC1 ZINC000534647904 540394175 /nfs/dbraw/zinc/39/41/75/540394175.db2.gz YPOVKNYYRNBRGV-AWEZNQCLSA-N 1 1 360.462 1.390 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)N1CCC(c2cccc(O)c2)CC1 ZINC000534648176 540394291 /nfs/dbraw/zinc/39/42/91/540394291.db2.gz GDWWIFFEOKUFJJ-INIZCTEOSA-N 1 1 361.486 1.986 50 0 FDAAMO Cc1ccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](C)CC2)c(C)c1 ZINC000064836200 212045316 /nfs/dbraw/zinc/04/53/16/212045316.db2.gz HXZAVDSEZXBASL-UHFFFAOYSA-N 1 1 365.437 1.890 50 0 FDAAMO O=C(NC1CC1)C1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058391575 212007953 /nfs/dbraw/zinc/00/79/53/212007953.db2.gz IXSBRKFLAWCVKW-UHFFFAOYSA-N 1 1 368.474 1.980 50 0 FDAAMO Cc1ccc2nc(C[N@@H+]3CCCC[C@H]3C(=O)N3CCCC3)cc(=O)n2c1 ZINC000058279490 212001361 /nfs/dbraw/zinc/00/13/61/212001361.db2.gz WHTFXYLDHAXEOF-KRWDZBQOSA-N 1 1 354.454 1.980 50 0 FDAAMO Cc1ccc2nc(C[N@H+]3CCCC[C@H]3C(=O)N3CCCC3)cc(=O)n2c1 ZINC000058279490 212001364 /nfs/dbraw/zinc/00/13/64/212001364.db2.gz WHTFXYLDHAXEOF-KRWDZBQOSA-N 1 1 354.454 1.980 50 0 FDAAMO CC[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1 ZINC000014196876 220115933 /nfs/dbraw/zinc/11/59/33/220115933.db2.gz QTFRTPBWOFCJBL-UHFFFAOYSA-N 1 1 373.478 1.745 50 0 FDAAMO CC[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)Cc1ccccc1 ZINC000014196876 220115936 /nfs/dbraw/zinc/11/59/36/220115936.db2.gz QTFRTPBWOFCJBL-UHFFFAOYSA-N 1 1 373.478 1.745 50 0 FDAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@H+](CC(C)C)C1 ZINC000023354093 211385003 /nfs/dbraw/zinc/38/50/03/211385003.db2.gz GUASEGNWKXEABE-RTBURBONSA-N 1 1 352.567 1.600 50 0 FDAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCN(C)CC2)C[N@@H+](CC(C)C)C1 ZINC000023354093 211385005 /nfs/dbraw/zinc/38/50/05/211385005.db2.gz GUASEGNWKXEABE-RTBURBONSA-N 1 1 352.567 1.600 50 0 FDAAMO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCCC[NH+]1CCOCC1 ZINC000019873257 211258852 /nfs/dbraw/zinc/25/88/52/211258852.db2.gz KKQOXIOQUVUUIJ-UHFFFAOYSA-N 1 1 370.375 1.894 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000019831205 211257781 /nfs/dbraw/zinc/25/77/81/211257781.db2.gz UHNBEIMUFINLGG-UHFFFAOYSA-N 1 1 360.241 1.770 50 0 FDAAMO CCOc1cccc2cc(C(=O)NCCC[NH+]3CCOCC3)c(=O)oc21 ZINC000019620061 211240805 /nfs/dbraw/zinc/24/08/05/211240805.db2.gz YXVJSSXWCBOVEZ-UHFFFAOYSA-N 1 1 360.410 1.644 50 0 FDAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000019372569 211218437 /nfs/dbraw/zinc/21/84/37/211218437.db2.gz HDDFJNXJCSAWCF-CQSZACIVSA-N 1 1 366.259 1.719 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)c1cn(Cc2ccc(F)cc2)nn1 ZINC000015070465 211119592 /nfs/dbraw/zinc/11/95/92/211119592.db2.gz GCGHEEQFAUDLPP-MRXNPFEDSA-N 1 1 361.421 1.042 50 0 FDAAMO C[C@@H]1CCC[N@@H+](Cc2c(CN3CCC[C@H](C)C3)nnn2-c2nonc2N)C1 ZINC000015024157 211115102 /nfs/dbraw/zinc/11/51/02/211115102.db2.gz QFENPDYVIVLENT-UONOGXRCSA-N 1 1 374.493 1.696 50 0 FDAAMO C[C@@H]1CCC[N@H+](Cc2c(CN3CCC[C@H](C)C3)nnn2-c2nonc2N)C1 ZINC000015024157 211115108 /nfs/dbraw/zinc/11/51/08/211115108.db2.gz QFENPDYVIVLENT-UONOGXRCSA-N 1 1 374.493 1.696 50 0 FDAAMO C[C@H](NC(=O)C1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1)C(N)=O ZINC000014975727 211111123 /nfs/dbraw/zinc/11/11/23/211111123.db2.gz SOTGVUJLDAZTDN-HNNXBMFYSA-N 1 1 351.450 1.646 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)C1 ZINC000014199274 211085619 /nfs/dbraw/zinc/08/56/19/211085619.db2.gz WPNJRJGHRIQYDM-SFHVURJKSA-N 1 1 363.417 1.798 50 0 FDAAMO C[N@H+]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)C1 ZINC000014199274 211085622 /nfs/dbraw/zinc/08/56/22/211085622.db2.gz WPNJRJGHRIQYDM-SFHVURJKSA-N 1 1 363.417 1.798 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000013856457 211064069 /nfs/dbraw/zinc/06/40/69/211064069.db2.gz NBIVIGOWDSGLDH-ZDUSSCGKSA-N 1 1 369.343 1.535 50 0 FDAAMO O=S1(=O)C[C@H](O)[C@@H]([NH2+]CCC2CCN(Cc3ccccc3)CC2)C1 ZINC000013725269 211053848 /nfs/dbraw/zinc/05/38/48/211053848.db2.gz JFETWLBYAQPVFG-ROUUACIJSA-N 1 1 352.500 1.036 50 0 FDAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[N@@H+]1CCC[C@@H](C)C1 ZINC000010049342 210342290 /nfs/dbraw/zinc/34/22/90/210342290.db2.gz OYRJZUYEDRQYAA-GFCCVEGCSA-N 1 1 358.446 1.106 50 0 FDAAMO C[C@H]1C[NH+](CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@H](C)O1 ZINC000547858899 542466021 /nfs/dbraw/zinc/46/60/21/542466021.db2.gz PWHWBJBICYWAMJ-HOTGVXAUSA-N 1 1 350.459 1.939 50 0 FDAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccco1 ZINC000058202810 221106144 /nfs/dbraw/zinc/10/61/44/221106144.db2.gz VCGYUDBQNUNQQQ-HNNXBMFYSA-N 1 1 365.455 1.740 50 0 FDAAMO CC(C)(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000065397256 221210937 /nfs/dbraw/zinc/21/09/37/221210937.db2.gz LESUOBSMCZHYBL-UHFFFAOYSA-N 1 1 360.458 1.304 50 0 FDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000065387649 221210291 /nfs/dbraw/zinc/21/02/91/221210291.db2.gz JQLHQALLRGUQHV-KRWDZBQOSA-N 1 1 369.469 1.436 50 0 FDAAMO CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000065422449 221216977 /nfs/dbraw/zinc/21/69/77/221216977.db2.gz NLGZMDOIOXNTDU-CQSZACIVSA-N 1 1 364.877 1.760 50 0 FDAAMO CCn1ncnc1NC(=O)c1ccc(C[N@H+]2CC[C@H](NC(C)=O)C2)cc1 ZINC000065426635 221217562 /nfs/dbraw/zinc/21/75/62/221217562.db2.gz SOCJRLRHVNOXTL-INIZCTEOSA-N 1 1 356.430 1.261 50 0 FDAAMO COc1cccc([C@@H]2CC[N@H+](C3CCN(S(C)(=O)=O)CC3)C[C@H]2O)c1 ZINC000065466581 221223368 /nfs/dbraw/zinc/22/33/68/221223368.db2.gz HRHRBPUPRNTWKT-ZWKOTPCHSA-N 1 1 368.499 1.269 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@@H+]2CCOc3ccc(Cl)cc3C2)C1=O ZINC000067696731 221274124 /nfs/dbraw/zinc/27/41/24/221274124.db2.gz VXVOYLGFRQWFHP-SFHVURJKSA-N 1 1 368.861 1.534 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@H+]2CCOc3ccc(Cl)cc3C2)C1=O ZINC000067696731 221274127 /nfs/dbraw/zinc/27/41/27/221274127.db2.gz VXVOYLGFRQWFHP-SFHVURJKSA-N 1 1 368.861 1.534 50 0 FDAAMO CCc1nc(C)sc1C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067805794 221288917 /nfs/dbraw/zinc/28/89/17/221288917.db2.gz VAIIIRUMMYVXCC-UHFFFAOYSA-N 1 1 350.488 1.440 50 0 FDAAMO CCn1cnnc1CN(C)C(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000067843352 221294555 /nfs/dbraw/zinc/29/45/55/221294555.db2.gz YXOKRPTWBLAGPH-UHFFFAOYSA-N 1 1 356.434 1.662 50 0 FDAAMO CC(C)(C)c1ccc(S(=O)(=O)N2CCC3(CC2)[NH2+]CCNC3=O)cc1 ZINC000067975283 221312181 /nfs/dbraw/zinc/31/21/81/221312181.db2.gz XOTRYGWXWSRWMI-UHFFFAOYSA-N 1 1 365.499 1.227 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC([C@@]2(CC)NC(=O)NC2=O)CC1 ZINC000067920927 221305593 /nfs/dbraw/zinc/30/55/93/221305593.db2.gz UZIBYKGVHZRNQF-GOSISDBHSA-N 1 1 361.446 1.062 50 0 FDAAMO CCn1cc2[nH]c(OC)c(CNC(=O)C[N@H+]3C[C@@H]4CC[C@H]3C4)cc-2c1=O ZINC000071748126 221359238 /nfs/dbraw/zinc/35/92/38/221359238.db2.gz RNFRLDMGDQHTDZ-OCCSQVGLSA-N 1 1 358.442 1.166 50 0 FDAAMO O=C(NCCn1cccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071750804 221362392 /nfs/dbraw/zinc/36/23/92/221362392.db2.gz KHYVCLWVRMKXHL-QGZVFWFLSA-N 1 1 373.501 1.112 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3ccccn3)nc2N2CCC[N@H+](C)CC2)C1 ZINC000071758869 221366132 /nfs/dbraw/zinc/36/61/32/221366132.db2.gz AVVKZQAEBQFSFU-UHFFFAOYSA-N 1 1 366.469 1.585 50 0 FDAAMO CCn1cc2[nH]c(OC)c(CNC(=O)C[C@H]3CCCC[N@H+]3C)cc-2c1=O ZINC000071681639 221353660 /nfs/dbraw/zinc/35/36/60/221353660.db2.gz KXEVNIBWLJVZAY-CQSZACIVSA-N 1 1 360.458 1.557 50 0 FDAAMO Cc1nc(N2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)no1 ZINC000071721469 221355583 /nfs/dbraw/zinc/35/55/83/221355583.db2.gz IWDSNJGLISTZDZ-RTBURBONSA-N 1 1 371.485 1.178 50 0 FDAAMO O=C([C@@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CC[NH2+]1)N1CCOCC1 ZINC000071762487 221369495 /nfs/dbraw/zinc/36/94/95/221369495.db2.gz UJEVWIXGZCNGGC-ZDUSSCGKSA-N 1 1 374.268 1.332 50 0 FDAAMO Cc1nnc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)s1 ZINC000071764674 221371354 /nfs/dbraw/zinc/37/13/54/221371354.db2.gz GSGRKPUIUHHYNV-AWEZNQCLSA-N 1 1 363.531 1.802 50 0 FDAAMO CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071767801 221372936 /nfs/dbraw/zinc/37/29/36/221372936.db2.gz XDKZPIGZKZFQQX-IBGZPJMESA-N 1 1 359.514 1.814 50 0 FDAAMO COCCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071775902 221375036 /nfs/dbraw/zinc/37/50/36/221375036.db2.gz VVICYZYFRHTRPV-QGZVFWFLSA-N 1 1 360.502 1.521 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000071780034 221376809 /nfs/dbraw/zinc/37/68/09/221376809.db2.gz GGLXXZFRJMTTPV-OAHLLOKOSA-N 1 1 371.485 1.774 50 0 FDAAMO CCCCSc1nc(N2CCc3c(c(C(N)=O)nn3C)C2)cc(N)[nH+]1 ZINC000095361901 132207719 /nfs/dbraw/zinc/20/77/19/132207719.db2.gz CTUXPXDTSJXIQY-UHFFFAOYSA-N 1 1 361.475 1.346 50 0 FDAAMO CCCCSc1nc(N)cc(N2CCc3c(c(C(N)=O)nn3C)C2)[nH+]1 ZINC000095361901 132207721 /nfs/dbraw/zinc/20/77/21/132207721.db2.gz CTUXPXDTSJXIQY-UHFFFAOYSA-N 1 1 361.475 1.346 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2ccc(O)cc2)CC1 ZINC000095365823 132208155 /nfs/dbraw/zinc/20/81/55/132208155.db2.gz LIGPLGRYLTYEHM-QGZVFWFLSA-N 1 1 373.497 1.932 50 0 FDAAMO Cc1noc(C)c1CN1CC2(CC1=O)CCN(c1cc(N)[nH+]cn1)CC2 ZINC000095371747 132208688 /nfs/dbraw/zinc/20/86/88/132208688.db2.gz FXSQUUJDANJLLS-UHFFFAOYSA-N 1 1 356.430 1.683 50 0 FDAAMO CN(C)C(=O)N1CC[C@]2(O)CCN(c3ccc4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC000095374568 132208834 /nfs/dbraw/zinc/20/88/34/132208834.db2.gz PRROQGPOYDVPCN-OXQOHEQNSA-N 1 1 358.486 1.905 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncccc3C(N)=O)C[C@H]2CCO)cc1 ZINC000106979260 132266173 /nfs/dbraw/zinc/26/61/73/132266173.db2.gz MFORUZGRKXFPOF-QGZVFWFLSA-N 1 1 354.454 1.562 50 0 FDAAMO CN1C[C@@]2(CCC[N@@H+](CCN3CCN(c4ccccc4)CC3)C2)OC1=O ZINC000252481640 132292239 /nfs/dbraw/zinc/29/22/39/132292239.db2.gz CPUJMIHMZNDPHG-HXUWFJFHSA-N 1 1 358.486 1.725 50 0 FDAAMO CN1C[C@@]2(CCCN(CC[NH+]3CCN(c4ccccc4)CC3)C2)OC1=O ZINC000252481640 132292240 /nfs/dbraw/zinc/29/22/40/132292240.db2.gz CPUJMIHMZNDPHG-HXUWFJFHSA-N 1 1 358.486 1.725 50 0 FDAAMO Cc1cc(N2CC[NH+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)nc(N)n1 ZINC000299771476 132298566 /nfs/dbraw/zinc/29/85/66/132298566.db2.gz YONRISQEIFWPCS-MRXNPFEDSA-N 1 1 366.469 1.542 50 0 FDAAMO Cc1cc(N2CCN(C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000299771476 132298567 /nfs/dbraw/zinc/29/85/67/132298567.db2.gz YONRISQEIFWPCS-MRXNPFEDSA-N 1 1 366.469 1.542 50 0 FDAAMO CCc1[nH]c(CN2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c(C)[nH+]1 ZINC000065427821 136136335 /nfs/dbraw/zinc/13/63/35/136136335.db2.gz PEWVUYOSHPOYPQ-UHFFFAOYSA-N 1 1 366.473 1.887 50 0 FDAAMO Cc1nccnc1N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745244 136139835 /nfs/dbraw/zinc/13/98/35/136139835.db2.gz WHMSVUKXIITAAM-QGZVFWFLSA-N 1 1 373.501 1.325 50 0 FDAAMO Cc1nn(CCO)cc1C[N@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072409014 136145410 /nfs/dbraw/zinc/14/54/10/136145410.db2.gz RHIMPRYWEUXCOX-UHFFFAOYSA-N 1 1 356.474 1.609 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3ncnc4onc(C)c43)C[C@@H]2CCO)o1 ZINC000072410786 136145524 /nfs/dbraw/zinc/14/55/24/136145524.db2.gz XCTRFIPNAPQWLE-AWEZNQCLSA-N 1 1 357.414 1.901 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4onc(C)c43)C[C@@H]2CCO)o1 ZINC000072410786 136145525 /nfs/dbraw/zinc/14/55/25/136145525.db2.gz XCTRFIPNAPQWLE-AWEZNQCLSA-N 1 1 357.414 1.901 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)NCc3ccc(F)cc3)CC[N@H+]2C)CCC1=O ZINC000092066439 221833954 /nfs/dbraw/zinc/83/39/54/221833954.db2.gz CWIOZCAJFSDRSX-LJQANCHMSA-N 1 1 362.449 1.664 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCc2onc(C(=O)N(C)C)c2C1 ZINC000095497004 221922530 /nfs/dbraw/zinc/92/25/30/221922530.db2.gz GYXJYVNYJJYNFD-LBPRGKRZSA-N 1 1 359.430 1.842 50 0 FDAAMO Cc1cc(C)n(-c2cccc(C(=O)NCC[N@H+]3CCC[C@H](CO)C3)c2)n1 ZINC000096130286 222035711 /nfs/dbraw/zinc/03/57/11/222035711.db2.gz NTWSAPNSEKZJBT-KRWDZBQOSA-N 1 1 356.470 1.923 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)Nc1cc(-n2cnnc2)ccc1F ZINC000096140128 222044903 /nfs/dbraw/zinc/04/49/03/222044903.db2.gz YGBWSMRRMQUCIY-AWEZNQCLSA-N 1 1 362.409 1.375 50 0 FDAAMO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cnc[nH]2)CC1 ZINC000096165585 222064782 /nfs/dbraw/zinc/06/47/82/222064782.db2.gz QJRPWTVBMSLCNA-INIZCTEOSA-N 1 1 350.463 1.389 50 0 FDAAMO OCCOc1ccccc1CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000097307081 222174404 /nfs/dbraw/zinc/17/44/04/222174404.db2.gz HAPGRQALKTWSKB-UHFFFAOYSA-N 1 1 356.466 1.868 50 0 FDAAMO O=C(N[C@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](CCO)CC1 ZINC000097307867 222174679 /nfs/dbraw/zinc/17/46/79/222174679.db2.gz QFVBXCXSUHLURK-INIZCTEOSA-N 1 1 351.516 1.533 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@H](c2cccnc2)N2CCOCC2)CC1 ZINC000097447013 222181900 /nfs/dbraw/zinc/18/19/00/222181900.db2.gz HXRLRTLCNKKGNH-SFHVURJKSA-N 1 1 369.469 1.556 50 0 FDAAMO Cc1[nH]c2c(c1CC(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1)c(C)ccc2C ZINC000097506063 222186660 /nfs/dbraw/zinc/18/66/60/222186660.db2.gz FYIXGUDQDWIQRF-INIZCTEOSA-N 1 1 370.497 1.949 50 0 FDAAMO COc1ccc([C@@H](CNS(=O)(=O)Cc2ccon2)[NH+]2CCCC2)cc1 ZINC000097598590 222197314 /nfs/dbraw/zinc/19/73/14/222197314.db2.gz JHCSXSNZYBZEGO-QGZVFWFLSA-N 1 1 365.455 1.940 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2ccc3c(c2)ncn3CCO)CC1 ZINC000097742837 222209070 /nfs/dbraw/zinc/20/90/70/222209070.db2.gz CEOXNZLXTATFGX-UHFFFAOYSA-N 1 1 353.426 1.744 50 0 FDAAMO O=C(NC[C@@H](c1cccnc1)N1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000097805512 222214184 /nfs/dbraw/zinc/21/41/84/222214184.db2.gz XVPBLKVMZSAJMO-IBGZPJMESA-N 1 1 360.502 1.429 50 0 FDAAMO CCN1C[C@]2(CCC[N@@H+](Cc3cc(=O)n4[n-]c(C)cc4n3)C2)CCC1=O ZINC000102157028 222290519 /nfs/dbraw/zinc/29/05/19/222290519.db2.gz MGHJTISNTKZKTF-LJQANCHMSA-N 1 1 357.458 1.556 50 0 FDAAMO C[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000106749096 222389033 /nfs/dbraw/zinc/38/90/33/222389033.db2.gz QHRUMXOEIMZRML-BRWVUGGUSA-N 1 1 358.486 1.667 50 0 FDAAMO Cc1ncoc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000330013357 259121993 /nfs/dbraw/zinc/12/19/93/259121993.db2.gz MAUZQJMPSIPPFL-QGZVFWFLSA-N 1 1 368.437 1.719 50 0 FDAAMO CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000375293580 261306610 /nfs/dbraw/zinc/30/66/10/261306610.db2.gz SVIQSLVZALXRRF-GOSISDBHSA-N 1 1 368.499 1.818 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000002934139 518254740 /nfs/dbraw/zinc/25/47/40/518254740.db2.gz RLTMIVNLKIZAQK-MRXNPFEDSA-N 1 1 359.536 1.429 50 0 FDAAMO CC[NH+]1CCN(C(=S)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000003906960 518281286 /nfs/dbraw/zinc/28/12/86/518281286.db2.gz LNYORWBKWKWCQM-UHFFFAOYSA-N 1 1 365.455 1.594 50 0 FDAAMO CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000008710206 518482393 /nfs/dbraw/zinc/48/23/93/518482393.db2.gz UWQMLDVXLKXBRP-UHFFFAOYSA-N 1 1 352.398 1.161 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1 ZINC000008710199 518483309 /nfs/dbraw/zinc/48/33/09/518483309.db2.gz VADHYUWXILHVKY-UHFFFAOYSA-N 1 1 372.816 1.424 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCNc1nc(Cl)nc2nc[nH]c21 ZINC000009530501 518509871 /nfs/dbraw/zinc/50/98/71/518509871.db2.gz MZOISPPSQSFVLT-LLVKDONJSA-N 1 1 365.869 1.799 50 0 FDAAMO O=C(Cn1cncn1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000012597413 518622891 /nfs/dbraw/zinc/62/28/91/518622891.db2.gz RPFRPUVBWLPQBX-LJQANCHMSA-N 1 1 357.433 1.932 50 0 FDAAMO CCc1ccc(C[N@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000013002575 518646678 /nfs/dbraw/zinc/64/66/78/518646678.db2.gz GNRGFLQALRBRGS-IBGZPJMESA-N 1 1 367.449 1.960 50 0 FDAAMO CCc1ccc(C[N@@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000013002575 518646683 /nfs/dbraw/zinc/64/66/83/518646683.db2.gz GNRGFLQALRBRGS-IBGZPJMESA-N 1 1 367.449 1.960 50 0 FDAAMO Cc1cc(Cl)ccc1-n1ncc2c1ncnc2N1CC[NH+](CCO)CC1 ZINC000015880924 518737691 /nfs/dbraw/zinc/73/76/91/518737691.db2.gz PQVLQOFFBLTXFI-UHFFFAOYSA-N 1 1 372.860 1.892 50 0 FDAAMO Cc1nc(N2CCN(C(=O)c3cccs3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793860 518881564 /nfs/dbraw/zinc/88/15/64/518881564.db2.gz KAZDJQYHJWPRDI-UHFFFAOYSA-N 1 1 373.482 1.646 50 0 FDAAMO Cc1ccc(Nc2cc(N3CCN(S(C)(=O)=O)CC3)nc(C)[nH+]2)cc1 ZINC000021794703 518882324 /nfs/dbraw/zinc/88/23/24/518882324.db2.gz NYGGVMKTCNVHDT-UHFFFAOYSA-N 1 1 361.471 1.919 50 0 FDAAMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000029673050 519308804 /nfs/dbraw/zinc/30/88/04/519308804.db2.gz MFBAJKODMBGYKY-UHFFFAOYSA-N 1 1 352.866 1.422 50 0 FDAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030318209 519358851 /nfs/dbraw/zinc/35/88/51/519358851.db2.gz HOKPQWGNVHTBRS-UHFFFAOYSA-N 1 1 366.421 1.623 50 0 FDAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030318209 519358858 /nfs/dbraw/zinc/35/88/58/519358858.db2.gz HOKPQWGNVHTBRS-UHFFFAOYSA-N 1 1 366.421 1.623 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc[nH]c1=S ZINC000030645651 519386610 /nfs/dbraw/zinc/38/66/10/519386610.db2.gz ARXBJZCTMRNOIY-UHFFFAOYSA-N 1 1 358.471 1.102 50 0 FDAAMO COc1cc(Br)c(S(=O)(=O)N2CC[NH2+]CC2)cc1OC ZINC000035577311 519610364 /nfs/dbraw/zinc/61/03/64/519610364.db2.gz AMJKNYRKPARXMJ-UHFFFAOYSA-N 1 1 365.249 1.060 50 0 FDAAMO CC(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000040087049 519639988 /nfs/dbraw/zinc/63/99/88/519639988.db2.gz MQLSTGOVPDUNSR-HXUWFJFHSA-N 1 1 372.513 1.321 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)c3c(C)nc4ncccn43)cc2C1 ZINC000082108386 519855283 /nfs/dbraw/zinc/85/52/83/519855283.db2.gz JJUGHHPJYWPOIX-UHFFFAOYSA-N 1 1 367.457 1.780 50 0 FDAAMO CC1CCN(c2ccc3nnc(CCC(=O)N4CC[NH+](C)CC4)n3n2)CC1 ZINC000020530486 521043345 /nfs/dbraw/zinc/04/33/45/521043345.db2.gz GOBOXPZOUQSUCB-UHFFFAOYSA-N 1 1 371.489 1.067 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000252346768 521970208 /nfs/dbraw/zinc/97/02/08/521970208.db2.gz BAUVBXLDNZRGPD-PIKADFDJSA-N 1 1 373.497 1.527 50 0 FDAAMO O=C(Cc1ccc(O)c(Cl)c1)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072145734 522170699 /nfs/dbraw/zinc/17/06/99/522170699.db2.gz OTFLVETUSGCTBK-CQSZACIVSA-N 1 1 351.834 1.011 50 0 FDAAMO c1c(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nn2c1CNCC2 ZINC000072147426 522173166 /nfs/dbraw/zinc/17/31/66/522173166.db2.gz YSPQJFODYFFTCD-HXUWFJFHSA-N 1 1 351.498 1.661 50 0 FDAAMO CCOc1ccccc1C(=O)N1CC[NH2+]C[C@H]1C(=O)NCc1ccccn1 ZINC000072149560 522174753 /nfs/dbraw/zinc/17/47/53/522174753.db2.gz OIDQCMFKBHDNAC-KRWDZBQOSA-N 1 1 368.437 1.211 50 0 FDAAMO C[NH+]1CCN(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000072150033 522175749 /nfs/dbraw/zinc/17/57/49/522175749.db2.gz CHDGBDCAEAKJGK-KRWDZBQOSA-N 1 1 358.486 1.695 50 0 FDAAMO COc1cccc(-c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)o2)c1 ZINC000072158994 522186498 /nfs/dbraw/zinc/18/64/98/522186498.db2.gz HYDNGXYIZDZEIZ-MRXNPFEDSA-N 1 1 369.421 1.648 50 0 FDAAMO O=C([O-])[C@@H]1CC2(C[N@H+]1Cc1ccccc1Cn1cccn1)CC[NH2+]CC2 ZINC000072158009 522186569 /nfs/dbraw/zinc/18/65/69/522186569.db2.gz VNEMEKDEDLPKMI-SFHVURJKSA-N 1 1 354.454 1.960 50 0 FDAAMO C[N@@H+](Cc1ccccc1)C1(C(=O)NC(CO)CO)Cc2ccccc2C1 ZINC000072161988 522189647 /nfs/dbraw/zinc/18/96/47/522189647.db2.gz BISQGEAZOZSNCF-UHFFFAOYSA-N 1 1 354.450 1.125 50 0 FDAAMO O=C(NC1CC1)[C@H]1C[NH2+]CCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000072164877 522192293 /nfs/dbraw/zinc/19/22/93/522192293.db2.gz NEZCAOORHSGSEA-LJQANCHMSA-N 1 1 363.461 1.898 50 0 FDAAMO COc1nc(C)cc(C)c1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)C ZINC000072174482 522202943 /nfs/dbraw/zinc/20/29/43/522202943.db2.gz CUJCNNHEHSJEMF-INIZCTEOSA-N 1 1 362.474 1.170 50 0 FDAAMO CC(C)[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000072286024 522205477 /nfs/dbraw/zinc/20/54/77/522205477.db2.gz JCBBMFPSYJKOFU-HUUCEWRRSA-N 1 1 350.463 1.528 50 0 FDAAMO CCSc1ccc(C(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)cn1 ZINC000072309331 522211132 /nfs/dbraw/zinc/21/11/32/522211132.db2.gz JOTOFGOHZOHFMH-CYBMUJFWSA-N 1 1 351.472 1.903 50 0 FDAAMO CNC(=O)NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000058171114 522214904 /nfs/dbraw/zinc/21/49/04/522214904.db2.gz QQRQGTWUAHNZTP-ZDUSSCGKSA-N 1 1 370.247 1.668 50 0 FDAAMO CNC(=O)NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000058171114 522214910 /nfs/dbraw/zinc/21/49/10/522214910.db2.gz QQRQGTWUAHNZTP-ZDUSSCGKSA-N 1 1 370.247 1.668 50 0 FDAAMO Cc1cccc2c1ncn(CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c2=O ZINC000058179179 522216577 /nfs/dbraw/zinc/21/65/77/522216577.db2.gz ONKKVIDZNSFEAA-INIZCTEOSA-N 1 1 356.470 1.942 50 0 FDAAMO Cc1nnnn1-c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000072403946 522233437 /nfs/dbraw/zinc/23/34/37/522233437.db2.gz CVFNZSNSYMCHLN-UHFFFAOYSA-N 1 1 362.437 1.929 50 0 FDAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000046140814 522233852 /nfs/dbraw/zinc/23/38/52/522233852.db2.gz XHJGCSGXIMIKRP-UHFFFAOYSA-N 1 1 373.906 1.426 50 0 FDAAMO CCCOc1ccc(CCNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)cc1OC ZINC000072410677 522242664 /nfs/dbraw/zinc/24/26/64/522242664.db2.gz KJPWCFUSBNJRIC-SFHVURJKSA-N 1 1 358.442 1.753 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1Cn1cncn1 ZINC000072418223 522248668 /nfs/dbraw/zinc/24/86/68/522248668.db2.gz AYSUETVLJBZUED-SFHVURJKSA-N 1 1 357.414 1.362 50 0 FDAAMO CN(C)C(=O)CN1CCC[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072430958 522265752 /nfs/dbraw/zinc/26/57/52/522265752.db2.gz RQZPVMOECGPNCX-UHFFFAOYSA-N 1 1 361.530 1.986 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000072441537 522279096 /nfs/dbraw/zinc/27/90/96/522279096.db2.gz VNLRONMWMLTVSW-SJORKVTESA-N 1 1 373.563 1.819 50 0 FDAAMO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000072448057 522282502 /nfs/dbraw/zinc/28/25/02/522282502.db2.gz PZUKDXQQGDUESQ-AWEZNQCLSA-N 1 1 364.490 1.620 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072463293 522287615 /nfs/dbraw/zinc/28/76/15/522287615.db2.gz FRAAJWHDOCSECE-FQEVSTJZSA-N 1 1 358.486 1.765 50 0 FDAAMO Cn1cc(C[N@H+]2CCc3nc(N)nc(N[C@@H]4CCSC4)c3CC2)cn1 ZINC000072477773 522301242 /nfs/dbraw/zinc/30/12/42/522301242.db2.gz SXMOKHQAJXMCGV-CYBMUJFWSA-N 1 1 359.503 1.311 50 0 FDAAMO Cc1nc2c(c(NC3CCN(Cc4ccccn4)CC3)n1)CC[NH2+]CC2 ZINC000072481088 522305450 /nfs/dbraw/zinc/30/54/50/522305450.db2.gz OXFKGSAORVIDRK-UHFFFAOYSA-N 1 1 352.486 1.945 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O ZINC000091663066 522581926 /nfs/dbraw/zinc/58/19/26/522581926.db2.gz DLLDSUPYAYSXJU-UHFFFAOYSA-N 1 1 351.410 1.934 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(F)cc1C)C2 ZINC000082137374 522767406 /nfs/dbraw/zinc/76/74/06/522767406.db2.gz XYAJCKUKCUUVPR-UHFFFAOYSA-N 1 1 360.433 1.999 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(F)cc1C)C2 ZINC000082137374 522767415 /nfs/dbraw/zinc/76/74/15/522767415.db2.gz XYAJCKUKCUUVPR-UHFFFAOYSA-N 1 1 360.433 1.999 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000074491262 522785846 /nfs/dbraw/zinc/78/58/46/522785846.db2.gz VRHYKFXZZDSQPG-QGZVFWFLSA-N 1 1 374.485 1.647 50 0 FDAAMO COCc1cc(N[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@@H]2C2CC2)ncn1 ZINC000091713241 522937928 /nfs/dbraw/zinc/93/79/28/522937928.db2.gz VSWFDNXNBQYXAK-SJORKVTESA-N 1 1 359.474 1.368 50 0 FDAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C)cc1)CC2 ZINC000019839923 522953802 /nfs/dbraw/zinc/95/38/02/522953802.db2.gz AMQVDFKDUACMIB-INIZCTEOSA-N 1 1 371.485 1.859 50 0 FDAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)C1=O ZINC000052835455 523279411 /nfs/dbraw/zinc/27/94/11/523279411.db2.gz SVDFUZPSVOVSRC-OAHLLOKOSA-N 1 1 358.442 1.270 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000077354431 523306198 /nfs/dbraw/zinc/30/61/98/523306198.db2.gz QUWCAIHCAPXFHC-UHFFFAOYSA-N 1 1 370.453 1.829 50 0 FDAAMO CN1CC2(CCN(C(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)CC2)OC1=O ZINC000077380109 523312959 /nfs/dbraw/zinc/31/29/59/523312959.db2.gz VOZHGPGSEFSZGI-QGZVFWFLSA-N 1 1 357.454 1.919 50 0 FDAAMO CNC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000053212467 523369611 /nfs/dbraw/zinc/36/96/11/523369611.db2.gz FHZJDMGCMKTKBT-CQSZACIVSA-N 1 1 367.496 1.689 50 0 FDAAMO COC(=O)[C@@H](CCSC)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020665273 523575489 /nfs/dbraw/zinc/57/54/89/523575489.db2.gz CMAJIRGSIIOOPH-MRXNPFEDSA-N 1 1 365.499 1.809 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2sc(C(C)C)nc2C)C[C@@H]1CO ZINC000091643944 523619076 /nfs/dbraw/zinc/61/90/76/523619076.db2.gz YMDHAFZIDWHRGZ-HUUCEWRRSA-N 1 1 369.531 1.834 50 0 FDAAMO Cc1ccccc1[C@H]1C(C(=O)N2CC[NH+](C)CC2)=C(C)Nc2ncnn21 ZINC000054672247 523675230 /nfs/dbraw/zinc/67/52/30/523675230.db2.gz JJSWZHLZMXQFDF-KRWDZBQOSA-N 1 1 352.442 1.649 50 0 FDAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)Cc3cccs3)C2)CC1 ZINC000091434608 523808091 /nfs/dbraw/zinc/80/80/91/523808091.db2.gz PUIXLOKDAAFSMF-SJORKVTESA-N 1 1 365.543 1.385 50 0 FDAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)Cc3cccs3)C2)CC1 ZINC000091434608 523808098 /nfs/dbraw/zinc/80/80/98/523808098.db2.gz PUIXLOKDAAFSMF-SJORKVTESA-N 1 1 365.543 1.385 50 0 FDAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)Cc3cccs3)C2)CC1 ZINC000091434608 523808102 /nfs/dbraw/zinc/80/81/02/523808102.db2.gz PUIXLOKDAAFSMF-SJORKVTESA-N 1 1 365.543 1.385 50 0 FDAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCC(=O)N3CCOCC3)cc1)C2 ZINC000091586128 524026281 /nfs/dbraw/zinc/02/62/81/524026281.db2.gz PJBNIGVXLWKEQI-RBUKOAKNSA-N 1 1 373.497 1.450 50 0 FDAAMO CCN1C[C@@]2(CCC[N@@H+](Cc3cnn(CCC(=O)OC)c3)C2)CCC1=O ZINC000082091842 524209208 /nfs/dbraw/zinc/20/92/08/524209208.db2.gz BZPSHWPFXPHWLC-IBGZPJMESA-N 1 1 362.474 1.671 50 0 FDAAMO COCC(=O)N[C@H]1C[N@H+](Cc2cnc(N3CCCC3)nc2)C[C@@H]1C1CC1 ZINC000091269947 524688054 /nfs/dbraw/zinc/68/80/54/524688054.db2.gz MNRGXPSFKXWVSE-SJORKVTESA-N 1 1 359.474 1.050 50 0 FDAAMO COCC(=O)N[C@H]1C[N@@H+](Cc2cnc(N3CCCC3)nc2)C[C@@H]1C1CC1 ZINC000091269947 524688063 /nfs/dbraw/zinc/68/80/63/524688063.db2.gz MNRGXPSFKXWVSE-SJORKVTESA-N 1 1 359.474 1.050 50 0 FDAAMO CN(C)c1nc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)c2c([nH+]1)CCCC2 ZINC000091468263 524709806 /nfs/dbraw/zinc/70/98/06/524709806.db2.gz WNMNTSXMFKOHRW-HXUWFJFHSA-N 1 1 373.501 1.233 50 0 FDAAMO Cc1cnc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)cn1 ZINC000091468391 524711319 /nfs/dbraw/zinc/71/13/19/524711319.db2.gz ULRZCSKUUQSMGA-INIZCTEOSA-N 1 1 371.485 1.334 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)C[C@@H]1CO ZINC000091603868 524738870 /nfs/dbraw/zinc/73/88/70/524738870.db2.gz RPXCQKVNYLGJGA-IAGOWNOFSA-N 1 1 372.465 1.804 50 0 FDAAMO COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2NS(=O)(=O)N2CCCCC2)cc1 ZINC000091617056 524741387 /nfs/dbraw/zinc/74/13/87/524741387.db2.gz FZTRHPKRWULPEU-SJORKVTESA-N 1 1 353.488 1.413 50 0 FDAAMO OCCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091643411 524752610 /nfs/dbraw/zinc/75/26/10/524752610.db2.gz YSSKMNZLNLTUBG-SJLPKXTDSA-N 1 1 354.454 1.949 50 0 FDAAMO COCCNc1nc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)ccc2n1C ZINC000091656975 524754494 /nfs/dbraw/zinc/75/44/94/524754494.db2.gz NIMQUIRUMWZVMO-GOEBONIOSA-N 1 1 371.485 1.798 50 0 FDAAMO C[N@H+]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@]12CCNC(=O)CC2 ZINC000091663856 524756648 /nfs/dbraw/zinc/75/66/48/524756648.db2.gz AHYMQPPOFXMWSA-IBGZPJMESA-N 1 1 373.432 1.662 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091792793 524784768 /nfs/dbraw/zinc/78/47/68/524784768.db2.gz UTWQPAWESZCUCR-HUUCEWRRSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091792793 524784778 /nfs/dbraw/zinc/78/47/78/524784778.db2.gz UTWQPAWESZCUCR-HUUCEWRRSA-N 1 1 371.884 1.653 50 0 FDAAMO COCCn1ccnc1C1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000091794131 524786592 /nfs/dbraw/zinc/78/65/92/524786592.db2.gz KOGQRVCCRZEHJK-MRXNPFEDSA-N 1 1 350.463 1.004 50 0 FDAAMO COc1ccc(/C=C/C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1 ZINC000091859589 524800054 /nfs/dbraw/zinc/80/00/54/524800054.db2.gz XQMXWLLJAAZZSO-WYIDIVSCSA-N 1 1 371.481 1.719 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@@H]2CO)CC1 ZINC000091914874 524811504 /nfs/dbraw/zinc/81/15/04/524811504.db2.gz AOADCYVJQGMKQG-HUUCEWRRSA-N 1 1 367.440 1.283 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@@H]2CO)CC1 ZINC000091914874 524811514 /nfs/dbraw/zinc/81/15/14/524811514.db2.gz AOADCYVJQGMKQG-HUUCEWRRSA-N 1 1 367.440 1.283 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3cc(F)ccc3F)C[C@@H]2CO)CC1 ZINC000091914874 524811523 /nfs/dbraw/zinc/81/15/23/524811523.db2.gz AOADCYVJQGMKQG-HUUCEWRRSA-N 1 1 367.440 1.283 50 0 FDAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)NC1CCCCCC1 ZINC000092038291 524834523 /nfs/dbraw/zinc/83/45/23/524834523.db2.gz OYPYBENSHXOLIH-LJQANCHMSA-N 1 1 351.491 1.132 50 0 FDAAMO CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)cc1=O ZINC000092062020 524835193 /nfs/dbraw/zinc/83/51/93/524835193.db2.gz DYCUORXUOLBCDA-MAUKXSAKSA-N 1 1 359.470 1.584 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)c2n1 ZINC000092046283 524835955 /nfs/dbraw/zinc/83/59/55/524835955.db2.gz OMLGWQJFEIUTFA-MRXNPFEDSA-N 1 1 370.453 1.236 50 0 FDAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)C[C@@H](C)O1 ZINC000252458532 524966725 /nfs/dbraw/zinc/96/67/25/524966725.db2.gz OQOCMGYSRWNGOM-OAFZBRQQSA-N 1 1 360.454 1.927 50 0 FDAAMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)cc2c1OCO2 ZINC000095354169 525030043 /nfs/dbraw/zinc/03/00/43/525030043.db2.gz YVYRVKOIWPVBHS-TZMCWYRMSA-N 1 1 368.455 1.280 50 0 FDAAMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)cc2c1OCO2 ZINC000095354169 525030051 /nfs/dbraw/zinc/03/00/51/525030051.db2.gz YVYRVKOIWPVBHS-TZMCWYRMSA-N 1 1 368.455 1.280 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cc(OC)ccc3F)C[C@@H]2C1 ZINC000095356707 525032657 /nfs/dbraw/zinc/03/26/57/525032657.db2.gz VKSPOLHSNZEOLA-DNVCBOLYSA-N 1 1 366.433 1.266 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(O)CCN(C(=O)N3CCCC3)C[C@H]2C1 ZINC000095365899 525041662 /nfs/dbraw/zinc/04/16/62/525041662.db2.gz IHXWTIFFTIVQPN-VQIMIIECSA-N 1 1 362.474 1.766 50 0 FDAAMO CC[NH+]1CCN(C[C@@H]2CN(c3cc(C(C)C)nc(C)n3)C[C@@H]2CO)CC1 ZINC000095372033 525046468 /nfs/dbraw/zinc/04/64/68/525046468.db2.gz PFCYPJSEVPJVEW-QZTJIDSGSA-N 1 1 361.534 1.591 50 0 FDAAMO CC[N@H+]1CCC[C@](C)(C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000095373827 525047703 /nfs/dbraw/zinc/04/77/03/525047703.db2.gz OHMZEJDWURTNER-FQEVSTJZSA-N 1 1 358.486 1.729 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1C ZINC000095373158 525048099 /nfs/dbraw/zinc/04/80/99/525048099.db2.gz FZKRYLSDOLVICR-CYBMUJFWSA-N 1 1 364.475 1.040 50 0 FDAAMO Cc1nccn1CC(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095379044 525051431 /nfs/dbraw/zinc/05/14/31/525051431.db2.gz WCSURIHNWOQTNY-FQEVSTJZSA-N 1 1 373.501 1.127 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]2CO)CC1 ZINC000095384897 525057853 /nfs/dbraw/zinc/05/78/53/525057853.db2.gz JWTPWMDPYZEFHW-QZTJIDSGSA-N 1 1 370.497 1.025 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1CO ZINC000095388205 525063796 /nfs/dbraw/zinc/06/37/96/525063796.db2.gz LWTSTTSZZZXQEG-HUUCEWRRSA-N 1 1 363.483 1.555 50 0 FDAAMO O=C(c1c[nH]c(=O)[nH]1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392182 525065717 /nfs/dbraw/zinc/06/57/17/525065717.db2.gz RLPXNJMQGZUANH-JCURWCKSSA-N 1 1 374.391 1.684 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000095476085 525076512 /nfs/dbraw/zinc/07/65/12/525076512.db2.gz RFFBFDMQYWRRNM-LSDHHAIUSA-N 1 1 368.503 1.074 50 0 FDAAMO CC[N@H+](C)Cc1ccc(OC[C@H](O)CN2CCC(C(=O)OC)CC2)cc1 ZINC000095503125 525086144 /nfs/dbraw/zinc/08/61/44/525086144.db2.gz SJMHHGKTFCVCLT-GOSISDBHSA-N 1 1 364.486 1.763 50 0 FDAAMO CC[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CCC(C(=O)OC)CC2)cc1 ZINC000095503125 525086155 /nfs/dbraw/zinc/08/61/55/525086155.db2.gz SJMHHGKTFCVCLT-GOSISDBHSA-N 1 1 364.486 1.763 50 0 FDAAMO CCn1ncc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@@H+](CC2CC2)C3)c1C ZINC000095505052 525087420 /nfs/dbraw/zinc/08/74/20/525087420.db2.gz ATEODQBZAKHVCT-HZPDHXFCSA-N 1 1 352.504 1.706 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc3ccccc3n1C)C2 ZINC000095506230 525087845 /nfs/dbraw/zinc/08/78/45/525087845.db2.gz LNABHDGPTFEAIR-DLBZAZTESA-N 1 1 368.481 1.689 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CCC[N@@H+](Cc3ccco3)C1)C2 ZINC000095504791 525088701 /nfs/dbraw/zinc/08/87/01/525088701.db2.gz QFVZJZPMHNUOEY-AWEZNQCLSA-N 1 1 356.426 1.436 50 0 FDAAMO O=C(Cc1ccc(CO)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095511264 525092570 /nfs/dbraw/zinc/09/25/70/525092570.db2.gz WLFJFXBYYCXDII-FQEVSTJZSA-N 1 1 354.450 1.427 50 0 FDAAMO CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H]1CCC[N@@H+]1CC)CC2 ZINC000095511694 525094146 /nfs/dbraw/zinc/09/41/46/525094146.db2.gz JADFPUHZVSFRLX-MRXNPFEDSA-N 1 1 373.501 1.506 50 0 FDAAMO CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCC[N@H+]1CC)CC2 ZINC000095511694 525094157 /nfs/dbraw/zinc/09/41/57/525094157.db2.gz JADFPUHZVSFRLX-MRXNPFEDSA-N 1 1 373.501 1.506 50 0 FDAAMO CCC(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCC[N@@H+]1CC)CC2 ZINC000095511694 525094166 /nfs/dbraw/zinc/09/41/66/525094166.db2.gz JADFPUHZVSFRLX-MRXNPFEDSA-N 1 1 373.501 1.506 50 0 FDAAMO C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CC(O)C2)cc1 ZINC000095527659 525104754 /nfs/dbraw/zinc/10/47/54/525104754.db2.gz JZUQFWMWBLWHCD-FQEVSTJZSA-N 1 1 356.466 1.735 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000095527921 525105585 /nfs/dbraw/zinc/10/55/85/525105585.db2.gz XVAYJHJALLLSHY-GOSISDBHSA-N 1 1 367.453 1.531 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccn[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000095531485 525106615 /nfs/dbraw/zinc/10/66/15/525106615.db2.gz UDZLBSDXUKVAMB-WMZOPIPTSA-N 1 1 369.469 1.651 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccn[nH]2)C[N@H+]1Cc1ccccc1 ZINC000095531485 525106618 /nfs/dbraw/zinc/10/66/18/525106618.db2.gz UDZLBSDXUKVAMB-WMZOPIPTSA-N 1 1 369.469 1.651 50 0 FDAAMO COc1ccc(NC(C)=O)cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1OC ZINC000095531620 525107497 /nfs/dbraw/zinc/10/74/97/525107497.db2.gz FBAGFHYFGADYSH-RDJZCZTQSA-N 1 1 364.446 1.883 50 0 FDAAMO COC(=O)[C@@H](C(OC)OC)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000170607411 525642236 /nfs/dbraw/zinc/64/22/36/525642236.db2.gz VCONXPICXFLWNH-SFHVURJKSA-N 1 1 364.486 1.991 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)[nH]c2c3ccccc3nn2c1=O ZINC000170622117 525646315 /nfs/dbraw/zinc/64/63/15/525646315.db2.gz IATIZELOAQMAAJ-AWEZNQCLSA-N 1 1 367.453 1.627 50 0 FDAAMO CN(Cc1cccc2ncccc12)c1nc(N(C)C[C@@H](O)CO)cc[nH+]1 ZINC000108001144 525930554 /nfs/dbraw/zinc/93/05/54/525930554.db2.gz FIJVXNUBHIMVNQ-OAHLLOKOSA-N 1 1 353.426 1.451 50 0 FDAAMO NC(=O)c1c2c(sc1NC(=O)NCCC[NH+]1CCOCC1)CCC2 ZINC000020573470 527021447 /nfs/dbraw/zinc/02/14/47/527021447.db2.gz WWTRMGGOKAEGQP-UHFFFAOYSA-N 1 1 352.460 1.180 50 0 FDAAMO CCc1nc2c(ncnc2N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)o1 ZINC000095508225 536154270 /nfs/dbraw/zinc/15/42/70/536154270.db2.gz UCGOZCLCXOFVGR-UHFFFAOYSA-N 1 1 353.430 1.887 50 0 FDAAMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)C1 ZINC000184870899 536188728 /nfs/dbraw/zinc/18/87/28/536188728.db2.gz NUBVHTOMQVYBSV-ZBFHGGJFSA-N 1 1 365.499 1.714 50 0 FDAAMO COc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071762922 536824208 /nfs/dbraw/zinc/82/42/08/536824208.db2.gz XQIQHEXLERLRNO-INIZCTEOSA-N 1 1 373.501 1.788 50 0 FDAAMO COc1ccccc1N1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1(C)C ZINC000077505624 537064281 /nfs/dbraw/zinc/06/42/81/537064281.db2.gz AJIQIDSQUUZZPL-INIZCTEOSA-N 1 1 361.486 1.579 50 0 FDAAMO COc1ccccc1N1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1(C)C ZINC000077505624 537064288 /nfs/dbraw/zinc/06/42/88/537064288.db2.gz AJIQIDSQUUZZPL-INIZCTEOSA-N 1 1 361.486 1.579 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(Cl)c1 ZINC000248571748 537193452 /nfs/dbraw/zinc/19/34/52/537193452.db2.gz CUBVSWJWVSENGU-KBPBESRZSA-N 1 1 369.893 1.988 50 0 FDAAMO Cc1ccc(-n2cccn2)c(CN2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000216053843 537444302 /nfs/dbraw/zinc/44/43/02/537444302.db2.gz KIKGMJVACVZQOF-UHFFFAOYSA-N 1 1 369.513 1.631 50 0 FDAAMO C[N@H+](CCC(=O)NCc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000219318941 537474487 /nfs/dbraw/zinc/47/44/87/537474487.db2.gz RPPCTERLTSQECC-INIZCTEOSA-N 1 1 366.483 1.137 50 0 FDAAMO C[N@@H+](CCC(=O)NCc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000219318941 537474493 /nfs/dbraw/zinc/47/44/93/537474493.db2.gz RPPCTERLTSQECC-INIZCTEOSA-N 1 1 366.483 1.137 50 0 FDAAMO O=C(CCC[NH+]1CCOCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000219343241 537474877 /nfs/dbraw/zinc/47/48/77/537474877.db2.gz JODRUQGVCQYXMG-WIXQSORDSA-N 1 1 374.481 1.662 50 0 FDAAMO CN(C(=O)CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000220694681 537494590 /nfs/dbraw/zinc/49/45/90/537494590.db2.gz BNFWZBTWJMFWAK-GOSISDBHSA-N 1 1 364.511 1.934 50 0 FDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000222387341 537507994 /nfs/dbraw/zinc/50/79/94/537507994.db2.gz QSPHYGWYQXOATF-UHFFFAOYSA-N 1 1 370.497 1.841 50 0 FDAAMO O=C(C[N@H+]1CCc2ccccc2C1)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000222387341 537508005 /nfs/dbraw/zinc/50/80/05/537508005.db2.gz QSPHYGWYQXOATF-UHFFFAOYSA-N 1 1 370.497 1.841 50 0 FDAAMO CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000225556859 537553024 /nfs/dbraw/zinc/55/30/24/537553024.db2.gz DUHMFLYNCNGATO-MRXNPFEDSA-N 1 1 351.472 1.393 50 0 FDAAMO CN(C)c1nnc(-c2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2)o1 ZINC000229961215 537577062 /nfs/dbraw/zinc/57/70/62/537577062.db2.gz HUAGVEHKUQRGSL-HNNXBMFYSA-N 1 1 373.461 1.170 50 0 FDAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000244678666 537650247 /nfs/dbraw/zinc/65/02/47/537650247.db2.gz IHUKYLYVNNJAEZ-OAQYLSRUSA-N 1 1 373.497 1.939 50 0 FDAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000244678666 537650252 /nfs/dbraw/zinc/65/02/52/537650252.db2.gz IHUKYLYVNNJAEZ-OAQYLSRUSA-N 1 1 373.497 1.939 50 0 FDAAMO Cc1cccc(C(=O)NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)n1 ZINC000244723650 537650789 /nfs/dbraw/zinc/65/07/89/537650789.db2.gz MFBCUOQFRAWDPC-UHFFFAOYSA-N 1 1 351.472 1.161 50 0 FDAAMO Cc1nonc1N1CCN(C(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)CC1 ZINC000244734730 537650800 /nfs/dbraw/zinc/65/08/00/537650800.db2.gz NKXLGGDCWVPAAZ-MRXNPFEDSA-N 1 1 373.413 1.058 50 0 FDAAMO CN(Cc1ccccc1)C(=O)CC[N@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000244742115 537652364 /nfs/dbraw/zinc/65/23/64/537652364.db2.gz OCDDULJQTYPQAE-KRWDZBQOSA-N 1 1 371.485 1.536 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](CCCOc2ccc(C(N)=O)cc2)C1 ZINC000244866693 537654121 /nfs/dbraw/zinc/65/41/21/537654121.db2.gz WAULQNXROBTWLD-OAHLLOKOSA-N 1 1 373.457 1.055 50 0 FDAAMO Cc1c(F)cccc1NC(=O)C[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC000244866626 537654408 /nfs/dbraw/zinc/65/44/08/537654408.db2.gz VZHMHUSOIPOMOD-UHFFFAOYSA-N 1 1 361.421 1.573 50 0 FDAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@@H]2C1 ZINC000285702338 537748041 /nfs/dbraw/zinc/74/80/41/537748041.db2.gz IVUZTESKFFMYRK-QZTJIDSGSA-N 1 1 373.453 1.124 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000426563446 538424617 /nfs/dbraw/zinc/42/46/17/538424617.db2.gz UZYSPZLPVLXFIQ-IBGZPJMESA-N 1 1 372.513 1.957 50 0 FDAAMO CN(C(=O)NCc1noc(-c2c(F)cccc2F)n1)[C@H]1CC[N@@H+](C)C1 ZINC000584889151 551565542 /nfs/dbraw/zinc/56/55/42/551565542.db2.gz JOABNOKYIKVXJP-JTQLQIEISA-N 1 1 351.357 1.860 50 0 FDAAMO O=C(NCCNC(=O)c1cccnc1)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000584888778 551565643 /nfs/dbraw/zinc/56/56/43/551565643.db2.gz DIVWGKDBJCSPMO-OAHLLOKOSA-N 1 1 359.474 1.375 50 0 FDAAMO Cc1cccc(N2CC[C@@H](CNC(=O)N3CC[NH+](CCCO)CC3)C2)c1 ZINC000584898217 551566874 /nfs/dbraw/zinc/56/68/74/551566874.db2.gz WHQPRICZDILEFX-SFHVURJKSA-N 1 1 360.502 1.531 50 0 FDAAMO Cc1cc(C(=O)NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)c(C)o1 ZINC000222595100 568543480 /nfs/dbraw/zinc/54/34/80/568543480.db2.gz PAJIMYHMILDFEF-UHFFFAOYSA-N 1 1 354.472 1.668 50 0 FDAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000046715311 570849264 /nfs/dbraw/zinc/84/92/64/570849264.db2.gz HJYQPJZSMVQHPE-HNNXBMFYSA-N 1 1 370.453 1.227 50 0 FDAAMO C[N@@H+](CCCO)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000083860838 571054471 /nfs/dbraw/zinc/05/44/71/571054471.db2.gz QRHQKYQOGZVFIL-UHFFFAOYSA-N 1 1 362.442 1.966 50 0 FDAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426641503 571105232 /nfs/dbraw/zinc/10/52/32/571105232.db2.gz KFINJNPVFKUPAG-IAGOWNOFSA-N 1 1 372.469 1.038 50 0 FDAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC000426641503 571105233 /nfs/dbraw/zinc/10/52/33/571105233.db2.gz KFINJNPVFKUPAG-IAGOWNOFSA-N 1 1 372.469 1.038 50 0 FDAAMO Cc1n[nH]c(C2CCN(Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C3CC3)CC2)n1 ZINC000244708355 571114612 /nfs/dbraw/zinc/11/46/12/571114612.db2.gz KSEVKQOKJHMVGZ-HDJSIYSDSA-N 1 1 356.478 1.624 50 0 FDAAMO Cc1nnc(C2CCN(Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C3CC3)CC2)[nH]1 ZINC000244708355 571114614 /nfs/dbraw/zinc/11/46/14/571114614.db2.gz KSEVKQOKJHMVGZ-HDJSIYSDSA-N 1 1 356.478 1.624 50 0 FDAAMO Cc1c(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)cnn1C ZINC000244708181 571114724 /nfs/dbraw/zinc/11/47/24/571114724.db2.gz KPCZKBWZAJOIAF-UHFFFAOYSA-N 1 1 353.430 1.589 50 0 FDAAMO CCn1c(CNCCc2nc3c(c(C)n2)CCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244875043 571118565 /nfs/dbraw/zinc/11/85/65/571118565.db2.gz XLPMZVQOGFOHSS-HDJSIYSDSA-N 1 1 355.490 1.422 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)NCCc1noc(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000244874859 571118649 /nfs/dbraw/zinc/11/86/49/571118649.db2.gz XIKBAGKYZBAIDI-MRXNPFEDSA-N 1 1 358.398 1.637 50 0 FDAAMO CN(CCNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1)c1ccccc1 ZINC000426545145 571129141 /nfs/dbraw/zinc/12/91/41/571129141.db2.gz VXCZGPZXGMJQPD-OAHLLOKOSA-N 1 1 369.469 1.710 50 0 FDAAMO CS(=O)(=O)NC1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000252481656 571131400 /nfs/dbraw/zinc/13/14/00/571131400.db2.gz CPZODBFYOKHIDV-QGZVFWFLSA-N 1 1 351.516 1.522 50 0 FDAAMO Cc1cccc(OC2CN(c3cc([C@@H]4CCOC4)[nH+]c(NCCO)n3)C2)c1 ZINC000426474173 571133400 /nfs/dbraw/zinc/13/34/00/571133400.db2.gz GSUUMDUQPVNFRQ-OAHLLOKOSA-N 1 1 370.453 1.961 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000253535648 571137214 /nfs/dbraw/zinc/13/72/14/571137214.db2.gz KZVAOWGAQXIHQS-BETUJISGSA-N 1 1 358.446 1.460 50 0 FDAAMO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1sc2[nH]c(C)nc(=O)c2c1C ZINC000253537393 571138197 /nfs/dbraw/zinc/13/81/97/571138197.db2.gz UVXAJGAFVOECLH-RYUDHWBXSA-N 1 1 364.471 1.851 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1sc2[nH]c(C)nc(=O)c2c1C ZINC000253537393 571138199 /nfs/dbraw/zinc/13/81/99/571138199.db2.gz UVXAJGAFVOECLH-RYUDHWBXSA-N 1 1 364.471 1.851 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)CCCc2nc(-c3cccnc3)no2)C1 ZINC000426399339 571219996 /nfs/dbraw/zinc/21/99/96/571219996.db2.gz CZTTXHBPSWBFQU-AWEZNQCLSA-N 1 1 359.430 1.149 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)N[C@H]1CCc3ccccc31)CC2 ZINC000426428899 571224449 /nfs/dbraw/zinc/22/44/49/571224449.db2.gz JCPKTKPCYVIQFY-KRWDZBQOSA-N 1 1 356.470 1.670 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000426518775 571230006 /nfs/dbraw/zinc/23/00/06/571230006.db2.gz KZUSUAPGMUUOAM-KRWDZBQOSA-N 1 1 374.485 1.122 50 0 FDAAMO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@H+](CCOCCO)C2 ZINC000426525938 571230179 /nfs/dbraw/zinc/23/01/79/571230179.db2.gz LXCWJVJJFDBXDH-LJQANCHMSA-N 1 1 350.434 1.649 50 0 FDAAMO COc1cc(C)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426545197 571231312 /nfs/dbraw/zinc/23/13/12/571231312.db2.gz UECFQQMFFPNJIZ-QZTJIDSGSA-N 1 1 373.453 1.974 50 0 FDAAMO COc1cc(C)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426545197 571231313 /nfs/dbraw/zinc/23/13/13/571231313.db2.gz UECFQQMFFPNJIZ-QZTJIDSGSA-N 1 1 373.453 1.974 50 0 FDAAMO C[C@H](CCNC(=O)c1cccc(-c2cnn(C)c2N)c1)[NH+]1CCOCC1 ZINC000426628711 571233971 /nfs/dbraw/zinc/23/39/71/571233971.db2.gz DVJXLDRUCKYDHL-CQSZACIVSA-N 1 1 357.458 1.510 50 0 FDAAMO Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1C ZINC000524731708 571258651 /nfs/dbraw/zinc/25/86/51/571258651.db2.gz IDFYPAWJLIFNEU-DLBZAZTESA-N 1 1 361.486 1.795 50 0 FDAAMO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC[N@H+]2CCC[C@H]2C)C1 ZINC000253370280 571311748 /nfs/dbraw/zinc/31/17/48/571311748.db2.gz OPOKTSWZVIYFFM-CRAIPNDOSA-N 1 1 372.469 1.785 50 0 FDAAMO Nc1nc(CCCNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)cs1 ZINC000670462249 571356985 /nfs/dbraw/zinc/35/69/85/571356985.db2.gz CFUROLVIROPKJO-ZDUSSCGKSA-N 1 1 352.504 1.665 50 0 FDAAMO CN(C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1)[C@@H]1CC[N@@H+](C)C1 ZINC000011815683 670608244 /nfs/dbraw/zinc/60/82/44/670608244.db2.gz MOIZEXLZQRBVPT-CYBMUJFWSA-N 1 1 351.813 1.895 50 0 FDAAMO CC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCN(CC)CC2)c(OC)c1 ZINC000020599624 670669482 /nfs/dbraw/zinc/66/94/82/670669482.db2.gz OKGYPAMBVLPZJK-KRWDZBQOSA-N 1 1 351.491 1.182 50 0 FDAAMO CC1CC[NH+](CC(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)CC1 ZINC000137539028 671845819 /nfs/dbraw/zinc/84/58/19/671845819.db2.gz LMMDIQSUHUPBFZ-UHFFFAOYSA-N 1 1 365.499 1.558 50 0 FDAAMO CCc1ccc(C[NH+]2CCN(CC(=O)NC3CCOCC3)CC2)s1 ZINC000156812448 671960511 /nfs/dbraw/zinc/96/05/11/671960511.db2.gz SKEVWEUDCVAHCZ-UHFFFAOYSA-N 1 1 351.516 1.723 50 0 FDAAMO COCc1noc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@H]2C(N)=O)n1 ZINC000169791164 672042707 /nfs/dbraw/zinc/04/27/07/672042707.db2.gz BBHRVJBEYQSLPQ-GHMZBOCLSA-N 1 1 368.796 1.709 50 0 FDAAMO CC(C)c1cccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000186122284 672268450 /nfs/dbraw/zinc/26/84/50/672268450.db2.gz WKVPLZPRKHJKCX-INIZCTEOSA-N 1 1 365.499 1.395 50 0 FDAAMO CC(C)CC(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257175803 672629504 /nfs/dbraw/zinc/62/95/04/672629504.db2.gz BRAYBPUUOGHRCJ-MRXNPFEDSA-N 1 1 351.491 1.204 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)CC1 ZINC000022913436 782422963 /nfs/dbraw/zinc/42/29/63/782422963.db2.gz BKRZGAFEKPZXKH-NRFANRHFSA-N 1 1 359.514 1.875 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)CC1 ZINC000022913436 782422965 /nfs/dbraw/zinc/42/29/65/782422965.db2.gz BKRZGAFEKPZXKH-NRFANRHFSA-N 1 1 359.514 1.875 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)CC1 ZINC000022913436 782422977 /nfs/dbraw/zinc/42/29/77/782422977.db2.gz BKRZGAFEKPZXKH-NRFANRHFSA-N 1 1 359.514 1.875 50 0 FDAAMO CN(Cc1ccccc1N1CCOCC1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188700209 787809348 /nfs/dbraw/zinc/80/93/48/787809348.db2.gz WGUDFJGOEDXBIY-UHFFFAOYSA-N 1 1 355.442 1.164 50 0 FDAAMO O=C(c1ccoc1)N1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000019740530 792335751 /nfs/dbraw/zinc/33/57/51/792335751.db2.gz UKLHWYZCDOVEMN-RTBURBONSA-N 1 1 373.428 1.816 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000675020648 795238790 /nfs/dbraw/zinc/23/87/90/795238790.db2.gz DWNPKHWISJNXIK-PBHICJAKSA-N 1 1 374.453 1.695 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000675020648 795238795 /nfs/dbraw/zinc/23/87/95/795238795.db2.gz DWNPKHWISJNXIK-PBHICJAKSA-N 1 1 374.453 1.695 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cnc4c(c3)CCC4)C2)CC1 ZINC000299773839 800180674 /nfs/dbraw/zinc/18/06/74/800180674.db2.gz GFSXYGPLNPQOPK-SFHVURJKSA-N 1 1 356.514 1.993 50 0 FDAAMO CC[N@@H+](CCNC(=O)[C@@H]1CCN(c2cn[nH]c(=O)c2)C1)Cc1ccccc1 ZINC000169785450 864516097 /nfs/dbraw/zinc/51/60/97/864516097.db2.gz SEYVGNBMLVWFTC-QGZVFWFLSA-N 1 1 369.469 1.235 50 0 FDAAMO O=C(N1CCC2(C[C@H]3C(=O)NCC[N@@H+]3C2)CC1)C1(c2ccccc2)CC1 ZINC000169787695 864518447 /nfs/dbraw/zinc/51/84/47/864518447.db2.gz CGEIPLHWQKKQPX-KRWDZBQOSA-N 1 1 353.466 1.531 50 0 FDAAMO COc1ccc(C(=O)N2CCC3(C[C@@H]4C(=O)NCC[N@@H+]4C3)CC2)c(OC)c1 ZINC000169787682 864518668 /nfs/dbraw/zinc/51/86/68/864518668.db2.gz YCEPTEHBWUEKGP-MRXNPFEDSA-N 1 1 373.453 1.130 50 0 FDAAMO COCC(=O)N1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527730053 906639148 /nfs/dbraw/zinc/63/91/48/906639148.db2.gz ZQYLEIFEUSQAQP-KRWDZBQOSA-N 1 1 366.506 1.330 50 0 FDAAMO C[C@@H](C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000823789377 922096653 /nfs/dbraw/zinc/09/66/53/922096653.db2.gz ILAMBGHMKFKIKF-ZDUSSCGKSA-N 1 1 363.893 1.901 50 0 FDAAMO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000826838727 924341779 /nfs/dbraw/zinc/34/17/79/924341779.db2.gz NUEQSIVCNFHELY-IBGZPJMESA-N 1 1 372.513 1.438 50 0 FDAAMO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CCCN(CC(N)=O)C1 ZINC000826838727 924341791 /nfs/dbraw/zinc/34/17/91/924341791.db2.gz NUEQSIVCNFHELY-IBGZPJMESA-N 1 1 372.513 1.438 50 0 FDAAMO O=C(Cc1nc2cc(Cl)ccc2[nH]1)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000828711106 924926839 /nfs/dbraw/zinc/92/68/39/924926839.db2.gz DPUJVPQWZDCOOZ-GFCCVEGCSA-N 1 1 350.850 1.579 50 0 FDAAMO O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711106 924926843 /nfs/dbraw/zinc/92/68/43/924926843.db2.gz DPUJVPQWZDCOOZ-GFCCVEGCSA-N 1 1 350.850 1.579 50 0 FDAAMO O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000828711106 924926848 /nfs/dbraw/zinc/92/68/48/924926848.db2.gz DPUJVPQWZDCOOZ-GFCCVEGCSA-N 1 1 350.850 1.579 50 0 FDAAMO Cn1cccc1C(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802830 927588596 /nfs/dbraw/zinc/58/85/96/927588596.db2.gz PSMBPOVQGXVMEC-QGZVFWFLSA-N 1 1 360.502 1.284 50 0 FDAAMO CCC[C@H]1C[N@H+](C2CCN(C(C)=O)CC2)C[C@@H]1NS(=O)(=O)C(C)C ZINC000219559281 943897167 /nfs/dbraw/zinc/89/71/67/943897167.db2.gz YHYRWSUECIOXBR-RDJZCZTQSA-N 1 1 359.536 1.426 50 0 FDAAMO Cc1ccccc1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1ccncc1 ZINC000952869770 960213204 /nfs/dbraw/zinc/21/32/04/960213204.db2.gz OBEVJODPGXNZLZ-PXNSSMCTSA-N 1 1 366.465 1.793 50 0 FDAAMO Cc1nc(-c2cccc(NC(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)c2)n[nH]1 ZINC000952981037 960269291 /nfs/dbraw/zinc/26/92/91/960269291.db2.gz BOVCDWOCSUPYRD-HNNXBMFYSA-N 1 1 356.430 1.318 50 0 FDAAMO Cc1nc(-c2cccc(NC(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)c2)n[nH]1 ZINC000952981037 960269298 /nfs/dbraw/zinc/26/92/98/960269298.db2.gz BOVCDWOCSUPYRD-HNNXBMFYSA-N 1 1 356.430 1.318 50 0 FDAAMO C[NH+](C)CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 ZINC000952980557 960280690 /nfs/dbraw/zinc/28/06/90/960280690.db2.gz PXTYHXKHGKTRLY-UHFFFAOYSA-N 1 1 368.393 1.770 50 0 FDAAMO CC[N@H+]1CCC[C@H]1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000952980561 960280712 /nfs/dbraw/zinc/28/07/12/960280712.db2.gz HKPITUOYEHTKNO-AWEZNQCLSA-N 1 1 359.879 1.219 50 0 FDAAMO Cc1nc(C)c(C(=O)N2CCOC3(CCN(c4nc(N)cc[nH+]4)CC3)C2)o1 ZINC000952967875 960283923 /nfs/dbraw/zinc/28/39/23/960283923.db2.gz NBTNEKZCSKKHKA-UHFFFAOYSA-N 1 1 372.429 1.175 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccnc2)c1)N1CC[NH+](C)CC1 ZINC000952981121 960294162 /nfs/dbraw/zinc/29/41/62/960294162.db2.gz UTGNUALQVYDRHT-HNNXBMFYSA-N 1 1 367.453 1.908 50 0 FDAAMO Cc1cccc(Cl)c1OCCNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952981666 960295282 /nfs/dbraw/zinc/29/52/82/960295282.db2.gz NAYBTCAWPYEKOS-ZDUSSCGKSA-N 1 1 353.850 1.341 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc(N)nc2c1CCCC2 ZINC000952989988 960315259 /nfs/dbraw/zinc/31/52/59/960315259.db2.gz ZPAKOHJTLWDJMY-OAHLLOKOSA-N 1 1 351.454 1.724 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1nc(N)nc2c1CCCC2 ZINC000952989988 960315265 /nfs/dbraw/zinc/31/52/65/960315265.db2.gz ZPAKOHJTLWDJMY-OAHLLOKOSA-N 1 1 351.454 1.724 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253399056 1008773171 /nfs/dbraw/zinc/77/31/71/1008773171.db2.gz CONHWYIFKUKLNV-ZWKOTPCHSA-N 1 1 355.438 1.703 50 0 FDAAMO CCOc1ccccc1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000253399056 1008773184 /nfs/dbraw/zinc/77/31/84/1008773184.db2.gz CONHWYIFKUKLNV-ZWKOTPCHSA-N 1 1 355.438 1.703 50 0 FDAAMO O=C(CN1CCCCCC1=O)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000299801685 210039660 /nfs/dbraw/zinc/03/96/60/210039660.db2.gz ZXLNBEBPTYCTKQ-QGZVFWFLSA-N 1 1 359.470 1.875 50 0 FDAAMO COc1nc(-c2cccc(C(=O)NCCCn3cc[nH+]c3C)c2)nn1C ZINC000299795567 210034994 /nfs/dbraw/zinc/03/49/94/210034994.db2.gz MJDMYSCDEZEIGK-UHFFFAOYSA-N 1 1 354.414 1.816 50 0 FDAAMO CC(=O)c1cc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cs1 ZINC000299797856 210037040 /nfs/dbraw/zinc/03/70/40/210037040.db2.gz OZDXMNBOVYECFS-DFGXFYAUSA-N 1 1 351.468 1.939 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000299797866 210036871 /nfs/dbraw/zinc/03/68/71/210036871.db2.gz ORFNYVLSMZKEQK-OALUTQOASA-N 1 1 373.497 1.683 50 0 FDAAMO C[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1cnn(-c2ccccc2F)c1 ZINC000299776285 210022118 /nfs/dbraw/zinc/02/21/18/210022118.db2.gz MXYIVNUPSBIJAE-HNNXBMFYSA-N 1 1 359.449 1.826 50 0 FDAAMO Cc1n[nH]c(C)c1CCNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299767220 210015831 /nfs/dbraw/zinc/01/58/31/210015831.db2.gz PNULTIPGLLFMGO-CYBMUJFWSA-N 1 1 358.446 1.156 50 0 FDAAMO CCCc1cc(C(=O)NC2CC[NH+](C3CCS(=O)(=O)CC3)CC2)[nH]n1 ZINC000299760797 210010254 /nfs/dbraw/zinc/01/02/54/210010254.db2.gz KDSPYBQDELBAFL-UHFFFAOYSA-N 1 1 368.503 1.134 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2ccccc2Cn2cccn2)CC[C@H]1Nc1ncccn1 ZINC000299757040 210008693 /nfs/dbraw/zinc/00/86/93/210008693.db2.gz HQDDZSMUMNYOLV-RTBURBONSA-N 1 1 364.453 1.769 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000534665518 540397633 /nfs/dbraw/zinc/39/76/33/540397633.db2.gz ODQCPLDBMQVLQA-UHFFFAOYSA-N 1 1 368.485 1.894 50 0 FDAAMO Cc1ccccc1CN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000005148000 219654479 /nfs/dbraw/zinc/65/44/79/219654479.db2.gz DNPHWRVNAFCNQT-CYBMUJFWSA-N 1 1 366.425 1.699 50 0 FDAAMO CC1(C)C(=O)NCCN1CC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000064151816 212036908 /nfs/dbraw/zinc/03/69/08/212036908.db2.gz LHYSJSUNFKFUCG-MRXNPFEDSA-N 1 1 364.534 1.500 50 0 FDAAMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1c(CC(N)=O)nc2ccccc21 ZINC000060368136 212021939 /nfs/dbraw/zinc/02/19/39/212021939.db2.gz PNSXHQUNGSGKLO-INIZCTEOSA-N 1 1 352.438 1.557 50 0 FDAAMO Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n1 ZINC000012711867 220019349 /nfs/dbraw/zinc/01/93/49/220019349.db2.gz JHLSKPVFWDTXFP-ZDUSSCGKSA-N 1 1 352.504 1.647 50 0 FDAAMO Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n1 ZINC000012711867 220019353 /nfs/dbraw/zinc/01/93/53/220019353.db2.gz JHLSKPVFWDTXFP-ZDUSSCGKSA-N 1 1 352.504 1.647 50 0 FDAAMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000058328463 212005119 /nfs/dbraw/zinc/00/51/19/212005119.db2.gz VYKNPLMVXNWTPV-ZDUSSCGKSA-N 1 1 356.492 1.789 50 0 FDAAMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052834094 211911566 /nfs/dbraw/zinc/91/15/66/211911566.db2.gz FZRUDTNLTIYVRW-SFHVURJKSA-N 1 1 363.417 1.846 50 0 FDAAMO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000052834094 211911569 /nfs/dbraw/zinc/91/15/69/211911569.db2.gz FZRUDTNLTIYVRW-SFHVURJKSA-N 1 1 363.417 1.846 50 0 FDAAMO CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524029 220154512 /nfs/dbraw/zinc/15/45/12/220154512.db2.gz GBKSQAWOURZEGY-UHFFFAOYSA-N 1 1 373.379 1.458 50 0 FDAAMO CCNC(=O)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524029 220154513 /nfs/dbraw/zinc/15/45/13/220154513.db2.gz GBKSQAWOURZEGY-UHFFFAOYSA-N 1 1 373.379 1.458 50 0 FDAAMO O=C(CNC(=O)c1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023701443 211393659 /nfs/dbraw/zinc/39/36/59/211393659.db2.gz CKZRBJOWTZAGQQ-UHFFFAOYSA-N 1 1 369.440 1.942 50 0 FDAAMO C[C@H](OC(=O)c1cccn1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023486138 211389472 /nfs/dbraw/zinc/38/94/72/211389472.db2.gz FNMMWWYBUIEOOG-INIZCTEOSA-N 1 1 355.438 1.915 50 0 FDAAMO CCOc1ccc(-n2nnc(C(=O)NCCC[NH+]3CCOCC3)c2C)cc1 ZINC000021178227 211311734 /nfs/dbraw/zinc/31/17/34/211311734.db2.gz MEDMGBKFBOXQIW-UHFFFAOYSA-N 1 1 373.457 1.427 50 0 FDAAMO CCCNC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCOCC1)[C@@H]2O ZINC000020637186 211291822 /nfs/dbraw/zinc/29/18/22/211291822.db2.gz ZVNLSWMLWJJQGU-MOPGFXCFSA-N 1 1 373.497 1.888 50 0 FDAAMO C[NH+]1CCN(C(=O)CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000020482447 211282939 /nfs/dbraw/zinc/28/29/39/211282939.db2.gz JHSXTTPNFGXFPH-UHFFFAOYSA-N 1 1 370.236 1.754 50 0 FDAAMO CC(C)[NH+]1CCN(C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000020454683 211282383 /nfs/dbraw/zinc/28/23/83/211282383.db2.gz IJDZMGNSGDEPOC-HXUWFJFHSA-N 1 1 363.477 1.705 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c2c2cc(C)ccc2oc3=O)CC1 ZINC000020321805 211275020 /nfs/dbraw/zinc/27/50/20/211275020.db2.gz SGRUQSFPMJOALT-UHFFFAOYSA-N 1 1 354.410 1.615 50 0 FDAAMO COc1ccc(Br)cc1CN1CC[NH+](CCOCCO)CC1 ZINC000019607255 211241095 /nfs/dbraw/zinc/24/10/95/211241095.db2.gz QHTWCJJKRSVBEQ-UHFFFAOYSA-N 1 1 373.291 1.584 50 0 FDAAMO COc1ccc(N2C(=O)C[C@H]([N@H+](CCO)Cc3ccccc3)C2=O)cc1 ZINC000017879285 211188514 /nfs/dbraw/zinc/18/85/14/211188514.db2.gz FXHZKZLQWRFUKK-SFHVURJKSA-N 1 1 354.406 1.822 50 0 FDAAMO COc1ccc(N2C(=O)C[C@H]([N@@H+](CCO)Cc3ccccc3)C2=O)cc1 ZINC000017879285 211188519 /nfs/dbraw/zinc/18/85/19/211188519.db2.gz FXHZKZLQWRFUKK-SFHVURJKSA-N 1 1 354.406 1.822 50 0 FDAAMO CC(C)CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)Cc1cccs1 ZINC000015868794 211149266 /nfs/dbraw/zinc/14/92/66/211149266.db2.gz OZKNXEUGQUIOSI-UHFFFAOYSA-N 1 1 373.544 1.010 50 0 FDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21c2ccccc2NC1=O ZINC000016024810 211153245 /nfs/dbraw/zinc/15/32/45/211153245.db2.gz DDBNPHFKULZTKC-DICRZQGBSA-N 1 1 353.422 1.713 50 0 FDAAMO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000015544019 211130089 /nfs/dbraw/zinc/13/00/89/211130089.db2.gz XZPGZICBBHMOQA-UHFFFAOYSA-N 1 1 366.506 1.725 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)cc1 ZINC000015000244 211113688 /nfs/dbraw/zinc/11/36/88/211113688.db2.gz RFUWODRROXUWEY-MRXNPFEDSA-N 1 1 373.457 1.236 50 0 FDAAMO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014980194 211111279 /nfs/dbraw/zinc/11/12/79/211111279.db2.gz WSXWIUQBHOTWDM-OAHLLOKOSA-N 1 1 358.417 1.656 50 0 FDAAMO CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014980194 211111275 /nfs/dbraw/zinc/11/12/75/211111275.db2.gz WSXWIUQBHOTWDM-OAHLLOKOSA-N 1 1 358.417 1.656 50 0 FDAAMO CCc1c(C(=O)NCCCOC)c(=O)cc(C)n1C[C@@H]1CCC[N@@H+]1CC ZINC000014966526 211108830 /nfs/dbraw/zinc/10/88/30/211108830.db2.gz VLCXKXFAVYDCNH-INIZCTEOSA-N 1 1 363.502 1.970 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000014944065 211104448 /nfs/dbraw/zinc/10/44/48/211104448.db2.gz VGTWZZZCXHUEAS-PBHICJAKSA-N 1 1 373.428 1.792 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000014944065 211104443 /nfs/dbraw/zinc/10/44/43/211104443.db2.gz VGTWZZZCXHUEAS-PBHICJAKSA-N 1 1 373.428 1.792 50 0 FDAAMO NC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014187363 211084032 /nfs/dbraw/zinc/08/40/32/211084032.db2.gz RHLRDTVQKFNWHX-INIZCTEOSA-N 1 1 358.442 1.482 50 0 FDAAMO O[C@H](C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F ZINC000013468850 211033639 /nfs/dbraw/zinc/03/36/39/211033639.db2.gz QHWWTFUEEAUNIZ-SNVBAGLBSA-N 1 1 358.286 1.931 50 0 FDAAMO O[C@H](C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F ZINC000013468850 211033644 /nfs/dbraw/zinc/03/36/44/211033644.db2.gz QHWWTFUEEAUNIZ-SNVBAGLBSA-N 1 1 358.286 1.931 50 0 FDAAMO CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C(C)C)cc1 ZINC000013371992 211032215 /nfs/dbraw/zinc/03/22/15/211032215.db2.gz GXGIUYRBQYHIDN-GJZGRUSLSA-N 1 1 361.485 1.023 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000022590046 220391387 /nfs/dbraw/zinc/39/13/87/220391387.db2.gz OPLLDMITQUBIJF-KRWDZBQOSA-N 1 1 373.501 1.119 50 0 FDAAMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000055244403 221062714 /nfs/dbraw/zinc/06/27/14/221062714.db2.gz DJHGRWPEGKBSQB-LBPRGKRZSA-N 1 1 365.459 1.531 50 0 FDAAMO CCN(CC)c1cc(CCC(=O)NCCC[NH+]2CCN(C)CC2)ccn1 ZINC000065270020 221191251 /nfs/dbraw/zinc/19/12/51/221191251.db2.gz XFXMEKRGILZDAD-UHFFFAOYSA-N 1 1 361.534 1.614 50 0 FDAAMO CCc1ccc(N([C@@H](C)C(=O)N2CC[NH+](CC)CC2)S(C)(=O)=O)cc1 ZINC000065363812 221202351 /nfs/dbraw/zinc/20/23/51/221202351.db2.gz YGGAYHRCNKBHKB-HNNXBMFYSA-N 1 1 367.515 1.568 50 0 FDAAMO CN(Cc1nc(-c2ccccn2)no1)c1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000065373362 221205225 /nfs/dbraw/zinc/20/52/25/221205225.db2.gz RVRWGCSSVCQXTF-ZDUSSCGKSA-N 1 1 367.413 1.519 50 0 FDAAMO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](CC(N)=O)CC1)c1ccccc1 ZINC000067723783 221275969 /nfs/dbraw/zinc/27/59/69/221275969.db2.gz OTGAXALIZHPTBO-GOSISDBHSA-N 1 1 371.441 1.332 50 0 FDAAMO Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000067724482 221276740 /nfs/dbraw/zinc/27/67/40/221276740.db2.gz GSZDUHZWKKXZMZ-QAPCUYQASA-N 1 1 354.454 1.814 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)CC[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC000067673105 221268017 /nfs/dbraw/zinc/26/80/17/221268017.db2.gz LFTBZWSVIGWPPT-MRXNPFEDSA-N 1 1 359.518 1.933 50 0 FDAAMO COc1cccc(C(=O)N2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)c1 ZINC000067855224 221295832 /nfs/dbraw/zinc/29/58/32/221295832.db2.gz QTCOEKTYXDYSEU-UHFFFAOYSA-N 1 1 361.486 1.564 50 0 FDAAMO Cc1cccc2nc(CN(C)C(=O)c3cn(C[C@@H]4CCC[NH2+]C4)nn3)[nH]c21 ZINC000067935365 221306888 /nfs/dbraw/zinc/30/68/88/221306888.db2.gz BUBJIUSTGONKQO-CQSZACIVSA-N 1 1 367.457 1.735 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](CCCn2cnnn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071614686 221351535 /nfs/dbraw/zinc/35/15/35/221351535.db2.gz BPFGEAMRAYIIPR-SFHVURJKSA-N 1 1 374.464 1.961 50 0 FDAAMO O=C(Cn1cccn1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071746117 221357677 /nfs/dbraw/zinc/35/76/77/221357677.db2.gz DSYUKDDOAOFASF-QGZVFWFLSA-N 1 1 373.501 1.209 50 0 FDAAMO C[N@H+]1CCCN(c2ncnc3c2CCN(C(=O)c2cccnc2)C3)CC1 ZINC000071746515 221358768 /nfs/dbraw/zinc/35/87/68/221358768.db2.gz NBSNMGLEZLTVNX-UHFFFAOYSA-N 1 1 352.442 1.212 50 0 FDAAMO Cn1cncc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071747776 221359355 /nfs/dbraw/zinc/35/93/55/221359355.db2.gz QQLZEPKLGHDBBX-AWEZNQCLSA-N 1 1 359.474 1.015 50 0 FDAAMO Cc1noc(C)c1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071748298 221359466 /nfs/dbraw/zinc/35/94/66/221359466.db2.gz KQGHJJQPSSNYGM-HNNXBMFYSA-N 1 1 374.485 1.887 50 0 FDAAMO Cc1[nH+]cc(CN2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1C ZINC000071721303 221355727 /nfs/dbraw/zinc/35/57/27/221355727.db2.gz OPGMUACCBWGDGM-OAHLLOKOSA-N 1 1 352.442 1.982 50 0 FDAAMO Cc1ncc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1C ZINC000071721303 221355729 /nfs/dbraw/zinc/35/57/29/221355729.db2.gz OPGMUACCBWGDGM-OAHLLOKOSA-N 1 1 352.442 1.982 50 0 FDAAMO Cc1ncc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1C ZINC000071721303 221355732 /nfs/dbraw/zinc/35/57/32/221355732.db2.gz OPGMUACCBWGDGM-OAHLLOKOSA-N 1 1 352.442 1.982 50 0 FDAAMO Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(C)n1-n1cnnc1 ZINC000071762046 221369943 /nfs/dbraw/zinc/36/99/43/221369943.db2.gz JGIVIHOJRQKGPU-UHFFFAOYSA-N 1 1 368.441 1.949 50 0 FDAAMO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c(C)n1-n1cnnc1 ZINC000071762046 221369945 /nfs/dbraw/zinc/36/99/45/221369945.db2.gz JGIVIHOJRQKGPU-UHFFFAOYSA-N 1 1 368.441 1.949 50 0 FDAAMO COc1nccnc1N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091619984 132202398 /nfs/dbraw/zinc/20/23/98/132202398.db2.gz RSRUXUTVQZVCGD-HNNXBMFYSA-N 1 1 359.474 1.398 50 0 FDAAMO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](Nc2nc(N)cc[nH+]2)C1 ZINC000091931943 132204875 /nfs/dbraw/zinc/20/48/75/132204875.db2.gz MMPWOCITXXYLEX-ZDUSSCGKSA-N 1 1 355.446 1.811 50 0 FDAAMO Cc1cc(C)c2c(ncnc2N2CC[NH+](CCN3CCOCC3)CC2)n1 ZINC000095352740 132206939 /nfs/dbraw/zinc/20/69/39/132206939.db2.gz SZHUDRRMPGKREA-UHFFFAOYSA-N 1 1 356.474 1.096 50 0 FDAAMO Cc1[nH+]c(N)nc(N2CCC([NH2+][C@@H](C)c3n[nH]c(=O)[n-]3)CC2)c1Cl ZINC000095354950 132207237 /nfs/dbraw/zinc/20/72/37/132207237.db2.gz UYATTZWXXYSYDL-QMMMGPOBSA-N 1 1 352.830 1.164 50 0 FDAAMO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095358899 132207622 /nfs/dbraw/zinc/20/76/22/132207622.db2.gz JUBBLFVDESYMLN-CYBMUJFWSA-N 1 1 363.429 1.715 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(C)=O)C[N@H+]1C1CCN(c2ccc(C)cc2)CC1 ZINC000096133742 132219588 /nfs/dbraw/zinc/21/95/88/132219588.db2.gz KTMIAXPKGPLTLY-PXNSSMCTSA-N 1 1 372.513 1.679 50 0 FDAAMO CCOc1ccccc1N1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000244898974 132291687 /nfs/dbraw/zinc/29/16/87/132291687.db2.gz ZETZQIBTKUJDBK-UHFFFAOYSA-N 1 1 355.504 1.489 50 0 FDAAMO Nc1nc(=O)cc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)[nH]1 ZINC000253536659 132293987 /nfs/dbraw/zinc/29/39/87/132293987.db2.gz JPHWWTPVFUTTIF-UHFFFAOYSA-N 1 1 351.414 1.272 50 0 FDAAMO Nc1nc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc(=O)[nH]1 ZINC000253536659 132293989 /nfs/dbraw/zinc/29/39/89/132293989.db2.gz JPHWWTPVFUTTIF-UHFFFAOYSA-N 1 1 351.414 1.272 50 0 FDAAMO CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000060358237 136132435 /nfs/dbraw/zinc/13/24/35/136132435.db2.gz MEANVTUQMIYMSX-PXNSSMCTSA-N 1 1 374.485 1.136 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067674672 136137477 /nfs/dbraw/zinc/13/74/77/136137477.db2.gz SZOVEICJZGGCAX-OAHLLOKOSA-N 1 1 369.473 1.280 50 0 FDAAMO COc1nccnc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071747029 136139995 /nfs/dbraw/zinc/13/99/95/136139995.db2.gz FVYQUSCKMDPKBL-CQSZACIVSA-N 1 1 359.474 1.445 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(c3ccnc(N)n3)C[C@@H]2CCO)cc1 ZINC000072421061 136146025 /nfs/dbraw/zinc/14/60/25/136146025.db2.gz PCMSWLKIBWWJET-INIZCTEOSA-N 1 1 357.458 1.531 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(c3ccnc(N)n3)C[C@@H]2CCO)cc1 ZINC000072421061 136146026 /nfs/dbraw/zinc/14/60/26/136146026.db2.gz PCMSWLKIBWWJET-INIZCTEOSA-N 1 1 357.458 1.531 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2cc[nH+]c(N)n2)C1 ZINC000072462573 136148684 /nfs/dbraw/zinc/14/86/84/136148684.db2.gz GMBXDHBLMYBULI-AWEZNQCLSA-N 1 1 356.478 1.557 50 0 FDAAMO O=C(c1nc2ccccc2[nH]c1=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095530431 221956685 /nfs/dbraw/zinc/95/66/85/221956685.db2.gz WAIFFRRFTUAYCX-HUUCEWRRSA-N 1 1 352.438 1.870 50 0 FDAAMO Cn1nc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c2c1CCCC2 ZINC000095512375 221940097 /nfs/dbraw/zinc/94/00/97/221940097.db2.gz AWNFSXHSFAJXDC-FQEVSTJZSA-N 1 1 373.501 1.068 50 0 FDAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000096138616 222042497 /nfs/dbraw/zinc/04/24/97/222042497.db2.gz SVAIGLYNMDSQJD-QGZVFWFLSA-N 1 1 354.458 1.401 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2oc(C)nc2C)C[N@H+]1CC1CCCC1 ZINC000096148610 222049911 /nfs/dbraw/zinc/04/99/11/222049911.db2.gz YJRQFKKRPIUEGK-HOTGVXAUSA-N 1 1 362.474 1.790 50 0 FDAAMO CN(CCc1nc(-c2c[nH]c3ccccc23)nn1CCO)[C@@H]1CC[N@@H+](C)C1 ZINC000096150036 222051868 /nfs/dbraw/zinc/05/18/68/222051868.db2.gz GFFSPMVYSMAPIX-OAHLLOKOSA-N 1 1 368.485 1.597 50 0 FDAAMO CN1CC[C@@H]([N@H+](C)CCc2nc(-c3c[nH]c4ccccc34)nn2CCO)C1 ZINC000096150036 222051871 /nfs/dbraw/zinc/05/18/71/222051871.db2.gz GFFSPMVYSMAPIX-OAHLLOKOSA-N 1 1 368.485 1.597 50 0 FDAAMO CN1CC[C@@H]([N@@H+](C)CCc2nc(-c3c[nH]c4ccccc34)nn2CCO)C1 ZINC000096150036 222051874 /nfs/dbraw/zinc/05/18/74/222051874.db2.gz GFFSPMVYSMAPIX-OAHLLOKOSA-N 1 1 368.485 1.597 50 0 FDAAMO C[N@H+]1C[C@H]2C[NH+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000096153166 222054564 /nfs/dbraw/zinc/05/45/64/222054564.db2.gz PQUBRFMBBHAWGA-JXFKEZNVSA-N 1 1 357.454 1.239 50 0 FDAAMO C[NH+]1C[C@H]2C[N@@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000096153166 222054566 /nfs/dbraw/zinc/05/45/66/222054566.db2.gz PQUBRFMBBHAWGA-JXFKEZNVSA-N 1 1 357.454 1.239 50 0 FDAAMO C[NH+]1C[C@H]2C[N@H+](C3CCN(C(=O)c4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000096153166 222054571 /nfs/dbraw/zinc/05/45/71/222054571.db2.gz PQUBRFMBBHAWGA-JXFKEZNVSA-N 1 1 357.454 1.239 50 0 FDAAMO Cc1ccc([C@H]([NH2+][C@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000097019961 222152370 /nfs/dbraw/zinc/15/23/70/222152370.db2.gz BFIQOWGZHOQVOU-ROUUACIJSA-N 1 1 358.463 1.966 50 0 FDAAMO C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccoc3)[C@H](CCO)C2)o1 ZINC000097323849 222174056 /nfs/dbraw/zinc/17/40/56/222174056.db2.gz XNFLMFSWWCRXKL-MRXNPFEDSA-N 1 1 361.442 1.643 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CSC(C)(C)C(=O)N3)CC2)c1 ZINC000097574912 222194739 /nfs/dbraw/zinc/19/47/39/222194739.db2.gz ZXBNXXWAMUJULD-MRXNPFEDSA-N 1 1 361.511 1.649 50 0 FDAAMO CN1CCN(CCOc2ccccc2CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC000097610290 222197895 /nfs/dbraw/zinc/19/78/95/222197895.db2.gz FOVIXOONNSUXIA-ICSRJNTNSA-N 1 1 358.530 1.497 50 0 FDAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccnc(-n2cnnc2)c1 ZINC000097654204 222203645 /nfs/dbraw/zinc/20/36/45/222203645.db2.gz RGHGAWLEBYINLU-OAHLLOKOSA-N 1 1 362.437 1.839 50 0 FDAAMO CN(C)c1cccc(S(=O)(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000332331371 259258183 /nfs/dbraw/zinc/25/81/83/259258183.db2.gz SPQDKPHFLQTBBS-UHFFFAOYSA-N 1 1 363.487 1.433 50 0 FDAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H](c4nc(N(C)C)no4)C3)nc12 ZINC000374624945 261165636 /nfs/dbraw/zinc/16/56/36/261165636.db2.gz IRUZUVBHAMDSET-AWEZNQCLSA-N 1 1 368.441 1.832 50 0 FDAAMO COc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)cc1 ZINC000426504193 263612532 /nfs/dbraw/zinc/61/25/32/263612532.db2.gz ZRKIQKSOGLRQST-RTBURBONSA-N 1 1 373.453 1.594 50 0 FDAAMO COc1ccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)cc1 ZINC000426504193 263612535 /nfs/dbraw/zinc/61/25/35/263612535.db2.gz ZRKIQKSOGLRQST-RTBURBONSA-N 1 1 373.453 1.594 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000002933917 518255057 /nfs/dbraw/zinc/25/50/57/518255057.db2.gz PEWHIDLKSVEFPS-GASCZTMLSA-N 1 1 359.536 1.142 50 0 FDAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000004821939 518314282 /nfs/dbraw/zinc/31/42/82/518314282.db2.gz SALWNNUYLVAWRY-UHFFFAOYSA-N 1 1 372.425 1.399 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000005644184 518351204 /nfs/dbraw/zinc/35/12/04/518351204.db2.gz IHRHJOFDFNRSNA-UHFFFAOYSA-N 1 1 351.472 1.249 50 0 FDAAMO CC(C)Cn1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000006309047 518367694 /nfs/dbraw/zinc/36/76/94/518367694.db2.gz NNNSMMBMHMGFEU-ZIAGYGMSSA-N 1 1 361.490 1.568 50 0 FDAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2C)c2ccccc2O1 ZINC000009053968 518495178 /nfs/dbraw/zinc/49/51/78/518495178.db2.gz XHNWTBHVQZODMG-IBGZPJMESA-N 1 1 367.449 1.967 50 0 FDAAMO CNC(=O)[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2C)c2ccccc2O1 ZINC000009053968 518495184 /nfs/dbraw/zinc/49/51/84/518495184.db2.gz XHNWTBHVQZODMG-IBGZPJMESA-N 1 1 367.449 1.967 50 0 FDAAMO CCCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](CC)CC2)ccc1OC ZINC000009063914 518496921 /nfs/dbraw/zinc/49/69/21/518496921.db2.gz WHOZLOFOWNPQTG-UHFFFAOYSA-N 1 1 369.487 1.161 50 0 FDAAMO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@@H]1c1ccccc1OC ZINC000010339388 518534144 /nfs/dbraw/zinc/53/41/44/518534144.db2.gz NSIRBCRSOZSYDT-HZPDHXFCSA-N 1 1 359.426 1.887 50 0 FDAAMO CCCCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011944353 518580202 /nfs/dbraw/zinc/58/02/02/518580202.db2.gz SZKMLZLDKRWTHR-OAHLLOKOSA-N 1 1 350.507 1.951 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccsc1)CC2)c1ccccn1 ZINC000011968237 518581778 /nfs/dbraw/zinc/58/17/78/518581778.db2.gz QSNUGTICQMDXNU-UHFFFAOYSA-N 1 1 368.466 1.723 50 0 FDAAMO CCCC[C@H]1C[N@H+](CC(=O)N2CCN(C=O)CC2)Cc2ccccc2O1 ZINC000011964357 518581928 /nfs/dbraw/zinc/58/19/28/518581928.db2.gz VCNKFAJXIPBWKB-SFHVURJKSA-N 1 1 359.470 1.740 50 0 FDAAMO CCCC[C@H]1C[N@@H+](CC(=O)N2CCN(C=O)CC2)Cc2ccccc2O1 ZINC000011964357 518581937 /nfs/dbraw/zinc/58/19/37/518581937.db2.gz VCNKFAJXIPBWKB-SFHVURJKSA-N 1 1 359.470 1.740 50 0 FDAAMO OCC[NH+]1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000022944938 518923892 /nfs/dbraw/zinc/92/38/92/518923892.db2.gz LUQHEKVNXCTJQX-UHFFFAOYSA-N 1 1 367.247 1.609 50 0 FDAAMO CC(C)(C)NC(=O)CN1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000024587874 518998652 /nfs/dbraw/zinc/99/86/52/518998652.db2.gz CKLNYXKCUWSVMZ-OAHLLOKOSA-N 1 1 369.531 1.158 50 0 FDAAMO CC(C)NC(=O)C[N@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000025234984 519047153 /nfs/dbraw/zinc/04/71/53/519047153.db2.gz WVLDYCVITRLHCG-ZDUSSCGKSA-N 1 1 359.264 1.645 50 0 FDAAMO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)COc1cccc(Br)c1 ZINC000025234984 519047160 /nfs/dbraw/zinc/04/71/60/519047160.db2.gz WVLDYCVITRLHCG-ZDUSSCGKSA-N 1 1 359.264 1.645 50 0 FDAAMO CC(C)[C@H](CNC(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000026170267 519104537 /nfs/dbraw/zinc/10/45/37/519104537.db2.gz VHJPGAVFIGVILL-IBGZPJMESA-N 1 1 372.513 1.976 50 0 FDAAMO O=C(c1cccc(-n2cnnn2)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000031970428 519473953 /nfs/dbraw/zinc/47/39/53/519473953.db2.gz KENXFEVUVIGTJK-UHFFFAOYSA-N 1 1 362.437 1.663 50 0 FDAAMO C[N@@H+](CCCNC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000032795511 519539327 /nfs/dbraw/zinc/53/93/27/519539327.db2.gz UKTNCNZKTFQMGM-UHFFFAOYSA-N 1 1 368.485 1.830 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1 ZINC000033028806 519563914 /nfs/dbraw/zinc/56/39/14/519563914.db2.gz YXRVJTIMPQIPDR-UHFFFAOYSA-N 1 1 370.453 1.991 50 0 FDAAMO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COC(C)C)c1 ZINC000036098579 519615254 /nfs/dbraw/zinc/61/52/54/519615254.db2.gz RPYNDNNOOHOKBT-HXUWFJFHSA-N 1 1 350.503 1.915 50 0 FDAAMO Cc1csc(=O)n1CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000040089761 519639883 /nfs/dbraw/zinc/63/98/83/519639883.db2.gz SVTRLJSRKNNZOW-UHFFFAOYSA-N 1 1 360.483 1.604 50 0 FDAAMO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000040155695 519641800 /nfs/dbraw/zinc/64/18/00/519641800.db2.gz HGGDEEAZEORMMH-HNNXBMFYSA-N 1 1 373.453 1.935 50 0 FDAAMO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000040155695 519641802 /nfs/dbraw/zinc/64/18/02/519641802.db2.gz HGGDEEAZEORMMH-HNNXBMFYSA-N 1 1 373.453 1.935 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)COc1ccc(-n3cnnn3)cc1)C2 ZINC000091321574 519864277 /nfs/dbraw/zinc/86/42/77/519864277.db2.gz BKYKXWYTVFVLBF-NVXWUHKLSA-N 1 1 370.457 1.374 50 0 FDAAMO CC1CCN(C(=O)CN2CC[NH+](C[C@@H](O)c3cccs3)CC2)CC1 ZINC000085436932 520977210 /nfs/dbraw/zinc/97/72/10/520977210.db2.gz YVTRXXZZWBWMFT-MRXNPFEDSA-N 1 1 351.516 1.658 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)C2=C(C)C(=O)OC23CCCCC3)CC1 ZINC000020532903 521679994 /nfs/dbraw/zinc/67/99/94/521679994.db2.gz ZSHFMCWVQMJLCS-UHFFFAOYSA-N 1 1 363.502 1.706 50 0 biogenic FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000043304021 521849690 /nfs/dbraw/zinc/84/96/90/521849690.db2.gz JWBJRFYTLQDIBB-KRWDZBQOSA-N 1 1 360.502 1.370 50 0 FDAAMO C[C@@H](NC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1)C(N)=O ZINC000072125385 522156711 /nfs/dbraw/zinc/15/67/11/522156711.db2.gz YRWQLKSWFLNWJN-MRXNPFEDSA-N 1 1 365.477 1.689 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccncc1)C1CC1 ZINC000072123813 522156757 /nfs/dbraw/zinc/15/67/57/522156757.db2.gz OPPGMNGSUXVZOJ-SFHVURJKSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccncc1)C1CC1 ZINC000072123813 522156767 /nfs/dbraw/zinc/15/67/67/522156767.db2.gz OPPGMNGSUXVZOJ-SFHVURJKSA-N 1 1 358.486 1.809 50 0 FDAAMO O=C([C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1)N1CCCC1 ZINC000072130711 522159872 /nfs/dbraw/zinc/15/98/72/522159872.db2.gz LQFKXULIJIDKEY-QGZVFWFLSA-N 1 1 357.433 1.612 50 0 FDAAMO O=C([C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1)N1CCCC1 ZINC000072130711 522159877 /nfs/dbraw/zinc/15/98/77/522159877.db2.gz LQFKXULIJIDKEY-QGZVFWFLSA-N 1 1 357.433 1.612 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000072133379 522160951 /nfs/dbraw/zinc/16/09/51/522160951.db2.gz BXHDBRMXMHVOMX-CQSZACIVSA-N 1 1 362.474 1.218 50 0 FDAAMO CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072133790 522161171 /nfs/dbraw/zinc/16/11/71/522161171.db2.gz HHMKXGBCSUFWFI-FQEVSTJZSA-N 1 1 359.514 1.607 50 0 FDAAMO Cc1[nH][nH]c(=O)c1CC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072136987 522164799 /nfs/dbraw/zinc/16/47/99/522164799.db2.gz RDQORUIBGOABHZ-KRWDZBQOSA-N 1 1 356.470 1.767 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000072144176 522169474 /nfs/dbraw/zinc/16/94/74/522169474.db2.gz QHNIAUYHHJHNLE-QGZVFWFLSA-N 1 1 371.485 1.758 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000072151653 522178316 /nfs/dbraw/zinc/17/83/16/522178316.db2.gz UMAFFTMZVPOALC-INIZCTEOSA-N 1 1 361.490 1.148 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000072151653 522178322 /nfs/dbraw/zinc/17/83/22/522178322.db2.gz UMAFFTMZVPOALC-INIZCTEOSA-N 1 1 361.490 1.148 50 0 FDAAMO Cc1ccc(-c2nnc(C[NH+]3CCC4(C[C@H](C(=O)[O-])[N@H+](C)C4)CC3)o2)n1C ZINC000072151688 522178581 /nfs/dbraw/zinc/17/85/81/522178581.db2.gz QNHIBRLWOJMSHB-OAHLLOKOSA-N 1 1 373.457 1.754 50 0 FDAAMO Cc1ccc(-c2nnc(C[NH+]3CCC4(C[C@H](C(=O)[O-])[N@@H+](C)C4)CC3)o2)n1C ZINC000072151688 522178586 /nfs/dbraw/zinc/17/85/86/522178586.db2.gz QNHIBRLWOJMSHB-OAHLLOKOSA-N 1 1 373.457 1.754 50 0 FDAAMO CCc1nn2c(nc(C[N@H+]3CCC[C@]4(CNC(=O)O4)CC3)cc2=O)s1 ZINC000072150924 522178658 /nfs/dbraw/zinc/17/86/58/522178658.db2.gz LMGLGPCFCBAAFR-MRXNPFEDSA-N 1 1 363.443 1.178 50 0 FDAAMO NC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000072150724 522178953 /nfs/dbraw/zinc/17/89/53/522178953.db2.gz MLGXORKKZGVRJC-FQEVSTJZSA-N 1 1 358.486 1.602 50 0 FDAAMO CCc1n[nH]c2c1CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC(C)C)CC2 ZINC000072171192 522198664 /nfs/dbraw/zinc/19/86/64/522198664.db2.gz HGPNPWAITANYTK-QGZVFWFLSA-N 1 1 361.490 1.093 50 0 FDAAMO CCc1n[nH]c2c1CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC(C)C)CC2 ZINC000072171192 522198673 /nfs/dbraw/zinc/19/86/73/522198673.db2.gz HGPNPWAITANYTK-QGZVFWFLSA-N 1 1 361.490 1.093 50 0 FDAAMO Cc1ncc(CC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072174189 522203418 /nfs/dbraw/zinc/20/34/18/522203418.db2.gz JJBXFWSENVTXJI-IBGZPJMESA-N 1 1 368.481 1.786 50 0 FDAAMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000058159831 522210675 /nfs/dbraw/zinc/21/06/75/522210675.db2.gz HAKQPXKZCGBVSX-CQSZACIVSA-N 1 1 365.499 1.972 50 0 FDAAMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000072304974 522211532 /nfs/dbraw/zinc/21/15/32/522211532.db2.gz MKDOQGDMHSNMMU-UHFFFAOYSA-N 1 1 356.488 1.937 50 0 FDAAMO Cc1cccc2c1ncn(CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c2=O ZINC000058179180 522216847 /nfs/dbraw/zinc/21/68/47/522216847.db2.gz ONKKVIDZNSFEAA-MRXNPFEDSA-N 1 1 356.470 1.942 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(C(=O)CNC(=O)c3ccoc3)CC2)cc1 ZINC000058203296 522223573 /nfs/dbraw/zinc/22/35/73/522223573.db2.gz AHUAHHKDUSLICI-UHFFFAOYSA-N 1 1 371.437 1.405 50 0 FDAAMO CCS(=O)(=O)N1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000058218524 522224352 /nfs/dbraw/zinc/22/43/52/522224352.db2.gz UOFROTNTCDTREF-INIZCTEOSA-N 1 1 353.488 1.220 50 0 FDAAMO Cc1ccn(CCNc2ncnc3c2CC[N@@H+](Cc2ncc[nH]2)CC3)n1 ZINC000072438524 522277376 /nfs/dbraw/zinc/27/73/76/522277376.db2.gz VCOKPCOCJPFAON-UHFFFAOYSA-N 1 1 352.446 1.418 50 0 FDAAMO CCS(=O)(=O)N1CCn2nc(C[N@H+](C)CCc3ccccn3)cc2C1 ZINC000072440311 522280027 /nfs/dbraw/zinc/28/00/27/522280027.db2.gz CGFAFNMQYRXQQY-UHFFFAOYSA-N 1 1 363.487 1.118 50 0 FDAAMO CCS(=O)(=O)N1CCn2nc(C[N@@H+](C)CCc3ccccn3)cc2C1 ZINC000072440311 522280038 /nfs/dbraw/zinc/28/00/38/522280038.db2.gz CGFAFNMQYRXQQY-UHFFFAOYSA-N 1 1 363.487 1.118 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)Nc1nn(C)c2cccc(N3CCOC3=O)c21 ZINC000072447719 522281261 /nfs/dbraw/zinc/28/12/61/522281261.db2.gz IRYXGNHEEIHNEX-UHFFFAOYSA-N 1 1 368.397 1.928 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072447998 522281929 /nfs/dbraw/zinc/28/19/29/522281929.db2.gz GMFIZOMCFVNESN-GOSISDBHSA-N 1 1 369.469 1.769 50 0 FDAAMO c1cn(CCCCCN2CCOCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072448389 522282401 /nfs/dbraw/zinc/28/24/01/522282401.db2.gz AXBMRMPMLZWFOU-UHFFFAOYSA-N 1 1 358.490 1.742 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072463294 522288088 /nfs/dbraw/zinc/28/80/88/522288088.db2.gz FRAAJWHDOCSECE-HXUWFJFHSA-N 1 1 358.486 1.765 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072458508 522288491 /nfs/dbraw/zinc/28/84/91/522288491.db2.gz ANORUOWWZMNMIX-KRWDZBQOSA-N 1 1 356.474 1.422 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCN(c3ncnc4nc[nH]c43)C[C@@H]2CCO)n1 ZINC000072468929 522290107 /nfs/dbraw/zinc/29/01/07/522290107.db2.gz XALZOLXRXKXASR-HNNXBMFYSA-N 1 1 353.430 1.130 50 0 FDAAMO Cc1cccc(C[N@H+]2CCN(c3ncnc4nc[nH]c43)C[C@@H]2CCO)n1 ZINC000072468929 522290115 /nfs/dbraw/zinc/29/01/15/522290115.db2.gz XALZOLXRXKXASR-HNNXBMFYSA-N 1 1 353.430 1.130 50 0 FDAAMO NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000072474324 522295449 /nfs/dbraw/zinc/29/54/49/522295449.db2.gz SUHXMULWRZVFSA-UHFFFAOYSA-N 1 1 369.462 1.564 50 0 FDAAMO CN(C)C(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000048015548 522651789 /nfs/dbraw/zinc/65/17/89/522651789.db2.gz GBAYMVOHIPPIER-UHFFFAOYSA-N 1 1 358.486 1.724 50 0 FDAAMO OCC[NH+]1CCN(Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000048343342 522716465 /nfs/dbraw/zinc/71/64/65/522716465.db2.gz CWRKZVRFLILYPB-UHFFFAOYSA-N 1 1 373.276 1.671 50 0 FDAAMO C[N@@H+](CCNC(=O)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1 ZINC000065313630 522805110 /nfs/dbraw/zinc/80/51/10/522805110.db2.gz LTPZAOYDLFDVNZ-HNNXBMFYSA-N 1 1 361.490 1.367 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(Cc2nccn2C)CC1 ZINC000091624938 523206795 /nfs/dbraw/zinc/20/67/95/523206795.db2.gz JVLYKPRXUWZNPX-UHFFFAOYSA-N 1 1 368.489 1.964 50 0 FDAAMO O=C(CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2F)CC1)NC1CC1 ZINC000052823095 523275052 /nfs/dbraw/zinc/27/50/52/523275052.db2.gz DEIFXAWAIGKMBQ-UHFFFAOYSA-N 1 1 353.825 1.906 50 0 FDAAMO O=C(Cn1c(=O)oc2ccccc21)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077286590 523283526 /nfs/dbraw/zinc/28/35/26/523283526.db2.gz NJAZYNFZIUVFFH-UHFFFAOYSA-N 1 1 366.421 1.724 50 0 FDAAMO O=C(Cn1c(=O)oc2ccccc21)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077286590 523283532 /nfs/dbraw/zinc/28/35/32/523283532.db2.gz NJAZYNFZIUVFFH-UHFFFAOYSA-N 1 1 366.421 1.724 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077323224 523297023 /nfs/dbraw/zinc/29/70/23/523297023.db2.gz GIEFUOJBTIFACE-OAHLLOKOSA-N 1 1 351.878 1.976 50 0 FDAAMO [NH3+][C@@H](CF)C(=O)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077343711 523304105 /nfs/dbraw/zinc/30/41/05/523304105.db2.gz IXNUTWOYNYOLMQ-HNNXBMFYSA-N 1 1 367.852 1.978 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000077375497 523312283 /nfs/dbraw/zinc/31/22/83/523312283.db2.gz CTONDCCQAUTUEW-SFHVURJKSA-N 1 1 363.477 1.828 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)Cc3ccc4c(c3)OCO4)cc2C1 ZINC000077425456 523331987 /nfs/dbraw/zinc/33/19/87/523331987.db2.gz DMWNZWMJPUYHMJ-UHFFFAOYSA-N 1 1 370.453 1.942 50 0 FDAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)CSc2nc(C)cc(=O)[nH]2)C1 ZINC000077438960 523336676 /nfs/dbraw/zinc/33/66/76/523336676.db2.gz PZDXDIITLFEPGK-AWEZNQCLSA-N 1 1 361.471 1.614 50 0 FDAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@H]3CC3(C)C)CC2)OC1=O ZINC000077471207 523353023 /nfs/dbraw/zinc/35/30/23/523353023.db2.gz MKUMGCCFBOKDNV-OAHLLOKOSA-N 1 1 367.490 1.424 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@H+](CCOCCO)C2)CN1CCc1ccccc1 ZINC000077490156 523362589 /nfs/dbraw/zinc/36/25/89/523362589.db2.gz OHALQMYBRRSKHP-OAQYLSRUSA-N 1 1 360.498 1.943 50 0 FDAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)[C@H]3CCCN3C2=O)CC1 ZINC000053244629 523380814 /nfs/dbraw/zinc/38/08/14/523380814.db2.gz UEVUOKDPCMGICT-MRXNPFEDSA-N 1 1 358.442 1.244 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCSC2=O)C1 ZINC000078971165 523680620 /nfs/dbraw/zinc/68/06/20/523680620.db2.gz LXDHMKFQXLRSCU-MELADBBJSA-N 1 1 355.504 1.152 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCSC2=O)C1 ZINC000078971165 523680635 /nfs/dbraw/zinc/68/06/35/523680635.db2.gz LXDHMKFQXLRSCU-MELADBBJSA-N 1 1 355.504 1.152 50 0 FDAAMO CCc1nnc(SCC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)[nH]1 ZINC000055182891 523762200 /nfs/dbraw/zinc/76/22/00/523762200.db2.gz SSYYNSUGABSXAK-CYBMUJFWSA-N 1 1 355.508 1.010 50 0 FDAAMO CCc1nc(SCC(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)n[nH]1 ZINC000055182891 523762205 /nfs/dbraw/zinc/76/22/05/523762205.db2.gz SSYYNSUGABSXAK-CYBMUJFWSA-N 1 1 355.508 1.010 50 0 FDAAMO CCc1nc(SCC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)n[nH]1 ZINC000055182891 523762212 /nfs/dbraw/zinc/76/22/12/523762212.db2.gz SSYYNSUGABSXAK-CYBMUJFWSA-N 1 1 355.508 1.010 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000079567504 523767536 /nfs/dbraw/zinc/76/75/36/523767536.db2.gz BWAKTMFEMPUSKT-CQSZACIVSA-N 1 1 370.457 1.068 50 0 FDAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 ZINC000020600292 523846397 /nfs/dbraw/zinc/84/63/97/523846397.db2.gz UYBJIZSOAGGPIC-QGZVFWFLSA-N 1 1 365.518 1.738 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)n1 ZINC000020110011 524406678 /nfs/dbraw/zinc/40/66/78/524406678.db2.gz VWXGQNUVKREGGT-AWEZNQCLSA-N 1 1 354.458 1.627 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnc(OC)c1)CC2 ZINC000091305448 524689691 /nfs/dbraw/zinc/68/96/91/524689691.db2.gz IJEROMVOKLMCJO-UHFFFAOYSA-N 1 1 355.442 1.823 50 0 FDAAMO NC(=O)CC[N@H+]1C[C@H](NC(=O)c2cccc3c2NCCC3)[C@@H](C2CC2)C1 ZINC000091390965 524698546 /nfs/dbraw/zinc/69/85/46/524698546.db2.gz FQQPDMGXZUVXPU-SJORKVTESA-N 1 1 356.470 1.360 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(c2ncnc3c(C)csc32)C[C@@H]1CO ZINC000091536414 524722233 /nfs/dbraw/zinc/72/22/33/524722233.db2.gz OVHVFKKHLFJJEP-ZIAGYGMSSA-N 1 1 350.488 1.623 50 0 FDAAMO O=C(CCCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000091563246 524728654 /nfs/dbraw/zinc/72/86/54/524728654.db2.gz YQHHLHNVNRAQOW-ZWKOTPCHSA-N 1 1 354.458 1.576 50 0 FDAAMO COc1cc(N2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)ncn1 ZINC000091563236 524729131 /nfs/dbraw/zinc/72/91/31/524729131.db2.gz OOQAHKQTZVKXGG-UHFFFAOYSA-N 1 1 368.445 1.551 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)Cc1ccc(F)cc1)C2 ZINC000091586037 524731644 /nfs/dbraw/zinc/73/16/44/524731644.db2.gz OGFRLEKJDAAIMW-NVXWUHKLSA-N 1 1 356.463 1.698 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC2(CCC(=O)N(Cc3cnc(C)cn3)C2)CC1 ZINC000091663816 524757959 /nfs/dbraw/zinc/75/79/59/524757959.db2.gz FYYAOPRLATYTSD-UHFFFAOYSA-N 1 1 373.501 1.468 50 0 FDAAMO CN(C)C(=O)c1cncc(N[C@H]2C[N@H+](C3CCOCC3)C[C@@H]2C2CC2)n1 ZINC000091713568 524765625 /nfs/dbraw/zinc/76/56/25/524765625.db2.gz VTBOGEXCMGFJFO-WBVHZDCISA-N 1 1 359.474 1.480 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)c1cnc(COc2ccccc2)[nH]c1=O ZINC000091793486 524784400 /nfs/dbraw/zinc/78/44/00/524784400.db2.gz HPVXHLBJWOXKMO-UHFFFAOYSA-N 1 1 367.409 1.950 50 0 FDAAMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 ZINC000091808696 524789344 /nfs/dbraw/zinc/78/93/44/524789344.db2.gz ONNOHIBJWVNQHA-MRXNPFEDSA-N 1 1 366.473 1.792 50 0 FDAAMO NC(=O)c1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)n1 ZINC000091819023 524791096 /nfs/dbraw/zinc/79/10/96/524791096.db2.gz KLWVRYPEUOZRJM-DZGCQCFKSA-N 1 1 359.405 1.404 50 0 FDAAMO O=C(c1ccc(OC(F)F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091860466 524799812 /nfs/dbraw/zinc/79/98/12/524799812.db2.gz GBYCCQMPQLYMSZ-HUUCEWRRSA-N 1 1 370.396 1.301 50 0 FDAAMO Cc1ccnn1CC(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091859004 524801561 /nfs/dbraw/zinc/80/15/61/524801561.db2.gz BQKXAWKDPSQLER-QGZVFWFLSA-N 1 1 373.501 1.127 50 0 FDAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1nc(C)c(C)c1C)C2 ZINC000091997892 524825184 /nfs/dbraw/zinc/82/51/84/524825184.db2.gz HCPGRJABJAVJPH-ZWKOTPCHSA-N 1 1 370.501 1.963 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1nc(C)c(C)c1C)C2 ZINC000091997892 524825196 /nfs/dbraw/zinc/82/51/96/524825196.db2.gz HCPGRJABJAVJPH-ZWKOTPCHSA-N 1 1 370.501 1.963 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1CC[C@@]2(O)CCN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000092098333 524847950 /nfs/dbraw/zinc/84/79/50/524847950.db2.gz UMRDYZURLBJVGQ-YLJYHZDGSA-N 1 1 374.485 1.194 50 0 FDAAMO C[N@@H+](C[C@@H](O)CN1CCCC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000175784795 525008613 /nfs/dbraw/zinc/00/86/13/525008613.db2.gz IXXTWSAXMDPHLS-LJQANCHMSA-N 1 1 360.502 1.004 50 0 FDAAMO Cc1ocnc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095354794 525029730 /nfs/dbraw/zinc/02/97/30/525029730.db2.gz HZLRYBAAINHICS-IBGZPJMESA-N 1 1 360.458 1.532 50 0 FDAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000095371328 525044617 /nfs/dbraw/zinc/04/46/17/525044617.db2.gz QVUXZGDLPQRZNT-KRWDZBQOSA-N 1 1 352.504 1.718 50 0 FDAAMO Cc1ccc2nc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)[nH]c2c1C ZINC000095369787 525044757 /nfs/dbraw/zinc/04/47/57/525044757.db2.gz QTVBCKLUAXDKDM-CQSZACIVSA-N 1 1 357.458 1.206 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc(CC(C)C)n[nH]3)C[C@@H]2C1 ZINC000095373013 525046299 /nfs/dbraw/zinc/04/62/99/525046299.db2.gz TUCFMAWENPPWMD-DNVCBOLYSA-N 1 1 364.490 1.040 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cc(CC(C)C)n[nH]3)C[C@@H]2C1 ZINC000095373013 525046307 /nfs/dbraw/zinc/04/63/07/525046307.db2.gz TUCFMAWENPPWMD-DNVCBOLYSA-N 1 1 364.490 1.040 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(-c2cccnc2)no1 ZINC000095377958 525052210 /nfs/dbraw/zinc/05/22/10/525052210.db2.gz UFWVIIXHPDIFCI-KRWDZBQOSA-N 1 1 363.421 1.847 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1nc(-c2cccnc2)no1 ZINC000095377958 525052218 /nfs/dbraw/zinc/05/22/18/525052218.db2.gz UFWVIIXHPDIFCI-KRWDZBQOSA-N 1 1 363.421 1.847 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)c1ccc(F)cc1 ZINC000095379986 525055870 /nfs/dbraw/zinc/05/58/70/525055870.db2.gz PDFZTMRMDONHBV-QGZVFWFLSA-N 1 1 358.417 1.741 50 0 FDAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 ZINC000095386928 525060509 /nfs/dbraw/zinc/06/05/09/525060509.db2.gz DNEJTVHEWLLUHY-KRWDZBQOSA-N 1 1 368.485 1.523 50 0 FDAAMO CCS(=O)(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386097 525060672 /nfs/dbraw/zinc/06/06/72/525060672.db2.gz RRHGMDHDCVYHJR-BMGDILEWSA-N 1 1 364.467 1.627 50 0 FDAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC000095498961 525080566 /nfs/dbraw/zinc/08/05/66/525080566.db2.gz KBLAANCHGRYNQY-JKSUJKDBSA-N 1 1 371.441 1.446 50 0 FDAAMO O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095500790 525082083 /nfs/dbraw/zinc/08/20/83/525082083.db2.gz VCIFNDPZMYCJBN-CYBMUJFWSA-N 1 1 368.397 1.648 50 0 FDAAMO O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095500789 525082334 /nfs/dbraw/zinc/08/23/34/525082334.db2.gz VCIFNDPZMYCJBN-ZDUSSCGKSA-N 1 1 368.397 1.648 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)S(=O)(=O)N(C)C)C1 ZINC000095509092 525091837 /nfs/dbraw/zinc/09/18/37/525091837.db2.gz XDVNYFWPLUFWCZ-MRXNPFEDSA-N 1 1 369.531 1.688 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H](c3ccccc3C)[NH+](C)C)CC2)no1 ZINC000095519021 525097228 /nfs/dbraw/zinc/09/72/28/525097228.db2.gz UIOVZAVEHCRSFJ-SFHVURJKSA-N 1 1 357.458 1.634 50 0 FDAAMO O=C([O-])C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095526632 525103921 /nfs/dbraw/zinc/10/39/21/525103921.db2.gz ZVRRYJJGWNRHPD-IBGZPJMESA-N 1 1 373.497 1.908 50 0 FDAAMO O=C([O-])C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095526632 525103926 /nfs/dbraw/zinc/10/39/26/525103926.db2.gz ZVRRYJJGWNRHPD-IBGZPJMESA-N 1 1 373.497 1.908 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)NCCCN1CCCCCC1=O ZINC000095964079 525110443 /nfs/dbraw/zinc/11/04/43/525110443.db2.gz GWSOJNKCTRQHRK-INIZCTEOSA-N 1 1 361.490 1.498 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)NCCCN1CCCCCC1=O ZINC000095964079 525110448 /nfs/dbraw/zinc/11/04/48/525110448.db2.gz GWSOJNKCTRQHRK-INIZCTEOSA-N 1 1 361.490 1.498 50 0 FDAAMO CCOCCOc1ccc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000095993311 525115013 /nfs/dbraw/zinc/11/50/13/525115013.db2.gz RDLVVUAOVKFRFA-UHFFFAOYSA-N 1 1 354.472 1.642 50 0 FDAAMO CNS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000170616466 525645258 /nfs/dbraw/zinc/64/52/58/525645258.db2.gz ZQGYPHKLVXKINN-UHFFFAOYSA-N 1 1 351.394 1.677 50 0 FDAAMO O=C(NCCc1ccccc1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091350507 526425685 /nfs/dbraw/zinc/42/56/85/526425685.db2.gz FTFSOHXJHZBRAX-IBGZPJMESA-N 1 1 373.497 1.306 50 0 FDAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)NCCc1nccc(-c2ccccc2)n1 ZINC000091616919 526511578 /nfs/dbraw/zinc/51/15/78/526511578.db2.gz RYCYBXLCVXUBPS-GOSISDBHSA-N 1 1 350.426 1.842 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000091624687 526523280 /nfs/dbraw/zinc/52/32/80/526523280.db2.gz YXYCROSRPLEFOA-INIZCTEOSA-N 1 1 359.445 1.871 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000091624687 526523286 /nfs/dbraw/zinc/52/32/86/526523286.db2.gz YXYCROSRPLEFOA-INIZCTEOSA-N 1 1 359.445 1.871 50 0 FDAAMO O=C(c1cncc(Br)c1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436581 526879679 /nfs/dbraw/zinc/87/96/79/526879679.db2.gz ULXPZLZXULDSTQ-AWEZNQCLSA-N 1 1 354.248 1.373 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(c3ccc(C)nn3)CC2)n1C ZINC000091519077 527451367 /nfs/dbraw/zinc/45/13/67/527451367.db2.gz XPYILSUNELVWEG-UHFFFAOYSA-N 1 1 352.446 1.851 50 0 FDAAMO C[C@@H](C(=O)N[C@@H](CO)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000183913379 536066290 /nfs/dbraw/zinc/06/62/90/536066290.db2.gz OUURDYTWDYABCA-WFASDCNBSA-N 1 1 370.291 1.235 50 0 FDAAMO CN(C)c1cc[nH+]c(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 ZINC000095366498 536155207 /nfs/dbraw/zinc/15/52/07/536155207.db2.gz LSSAAQIWWDBBNT-MRXNPFEDSA-N 1 1 373.501 1.931 50 0 FDAAMO C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC[NH2+]1 ZINC000248094266 537166390 /nfs/dbraw/zinc/16/63/90/537166390.db2.gz WYRNBWHTRILCBJ-JKSUJKDBSA-N 1 1 355.486 1.606 50 0 FDAAMO O=C(Cc1cccc(F)c1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000252502206 537250639 /nfs/dbraw/zinc/25/06/39/537250639.db2.gz UNNGGFSJHIFRFC-UHFFFAOYSA-N 1 1 368.474 1.526 50 0 FDAAMO O=C1CC[C@@H](C[N@H+](CCn2c3ccccc3oc2=O)Cc2ccccn2)N1 ZINC000215626798 537439212 /nfs/dbraw/zinc/43/92/12/537439212.db2.gz BRFRVQVAJBMADQ-INIZCTEOSA-N 1 1 366.421 1.770 50 0 FDAAMO O=C1CC[C@@H](C[N@@H+](CCn2c3ccccc3oc2=O)Cc2ccccn2)N1 ZINC000215626798 537439218 /nfs/dbraw/zinc/43/92/18/537439218.db2.gz BRFRVQVAJBMADQ-INIZCTEOSA-N 1 1 366.421 1.770 50 0 FDAAMO O=C(c1ccc2c(c1)NC(=O)CN2)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000215603023 537439890 /nfs/dbraw/zinc/43/98/90/537439890.db2.gz ZEZRRASDHKPARS-UHFFFAOYSA-N 1 1 365.437 1.794 50 0 FDAAMO O=C(c1ccc2c(c1)NC(=O)CN2)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000215603023 537439903 /nfs/dbraw/zinc/43/99/03/537439903.db2.gz ZEZRRASDHKPARS-UHFFFAOYSA-N 1 1 365.437 1.794 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)[nH]c(=O)n1 ZINC000216336358 537449603 /nfs/dbraw/zinc/44/96/03/537449603.db2.gz ORERPBYYPKEJBY-UHFFFAOYSA-N 1 1 369.469 1.712 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)[nH]c(=O)n1 ZINC000216336358 537449609 /nfs/dbraw/zinc/44/96/09/537449609.db2.gz ORERPBYYPKEJBY-UHFFFAOYSA-N 1 1 369.469 1.712 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218986077 537469044 /nfs/dbraw/zinc/46/90/44/537469044.db2.gz SUFVSGFGSCRYIF-UHYCVJNDSA-N 1 1 360.454 1.272 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](O)C1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000219731995 537479862 /nfs/dbraw/zinc/47/98/62/537479862.db2.gz JJVFFQPUMBLKIN-SNVBAGLBSA-N 1 1 352.341 1.088 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000219731995 537479873 /nfs/dbraw/zinc/47/98/73/537479873.db2.gz JJVFFQPUMBLKIN-SNVBAGLBSA-N 1 1 352.341 1.088 50 0 FDAAMO COC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000223480576 537527326 /nfs/dbraw/zinc/52/73/26/537527326.db2.gz GXLPZIZNAYKQDZ-KRWDZBQOSA-N 1 1 360.458 1.737 50 0 FDAAMO COC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000223480576 537527331 /nfs/dbraw/zinc/52/73/31/537527331.db2.gz GXLPZIZNAYKQDZ-KRWDZBQOSA-N 1 1 360.458 1.737 50 0 FDAAMO Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000223883825 537536900 /nfs/dbraw/zinc/53/69/00/537536900.db2.gz BPTOITBHPAFSBY-LJQANCHMSA-N 1 1 373.497 1.828 50 0 FDAAMO CCc1nnc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)o1 ZINC000230179302 537579108 /nfs/dbraw/zinc/57/91/08/537579108.db2.gz FMTQFJYSVJTOMO-LJQANCHMSA-N 1 1 361.490 1.541 50 0 FDAAMO O=C(Cn1cnc2ccsc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230202927 537579618 /nfs/dbraw/zinc/57/96/18/537579618.db2.gz SOXYTSYVOZAGBS-ZFWWWQNUSA-N 1 1 360.483 1.839 50 0 FDAAMO Cc1cn2c(nc(C[N@H+]3CCC[C@H](c4nnc(CO)n4C)C3)cc2=O)s1 ZINC000240128370 537646093 /nfs/dbraw/zinc/64/60/93/537646093.db2.gz IQMDODCOEFPPAJ-LBPRGKRZSA-N 1 1 374.470 1.065 50 0 FDAAMO Cc1cn2c(nc(C[N@@H+]3CCC[C@H](c4nnc(CO)n4C)C3)cc2=O)s1 ZINC000240128370 537646097 /nfs/dbraw/zinc/64/60/97/537646097.db2.gz IQMDODCOEFPPAJ-LBPRGKRZSA-N 1 1 374.470 1.065 50 0 FDAAMO COCc1nc(NCc2n[nH]c(-c3ccncc3)n2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244724592 537651615 /nfs/dbraw/zinc/65/16/15/537651615.db2.gz MWYMEUURMXSICF-JOCQHMNTSA-N 1 1 366.429 1.620 50 0 FDAAMO CSc1cccc(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)c1 ZINC000426677385 538122454 /nfs/dbraw/zinc/12/24/54/538122454.db2.gz FFXMWVISBVHIKE-AWEZNQCLSA-N 1 1 360.483 1.563 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC3(O)CCC3)CC2)cc1 ZINC000570906574 549454368 /nfs/dbraw/zinc/45/43/68/549454368.db2.gz HGSOMOZTIPODPC-UHFFFAOYSA-N 1 1 368.499 1.697 50 0 FDAAMO O=C([C@@H]1CCCO1)N1CCC([NH2+]Cc2nc(Cc3ccccc3)no2)CC1 ZINC000584886477 551565062 /nfs/dbraw/zinc/56/50/62/551565062.db2.gz CIDWTAZPIHSWTC-KRWDZBQOSA-N 1 1 370.453 1.920 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)c2cccc(-c3cnc4ncnn4c3)c2)C1 ZINC000584889171 551565647 /nfs/dbraw/zinc/56/56/47/551565647.db2.gz IUHZNWLDABSOLB-CQSZACIVSA-N 1 1 366.425 1.099 50 0 FDAAMO COC(=O)[C@]1(NC(=O)c2cccn2C)CCC[N@@H+](Cc2ccccc2)C1 ZINC000119627177 570518727 /nfs/dbraw/zinc/51/87/27/570518727.db2.gz HRCOOODJPAALOG-FQEVSTJZSA-N 1 1 355.438 1.963 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)N1CCN(c2cnccn2)CC1 ZINC000426435461 570605824 /nfs/dbraw/zinc/60/58/24/570605824.db2.gz WLMOFYIHYKHLPA-SFHVURJKSA-N 1 1 366.469 1.365 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccn1 ZINC000047012821 570878248 /nfs/dbraw/zinc/87/82/48/570878248.db2.gz NEKFZVLMBAWNDB-KBXCAEBGSA-N 1 1 371.466 1.646 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccccc2)C[C@H](C)O1 ZINC000048286937 570940638 /nfs/dbraw/zinc/94/06/38/570940638.db2.gz PNDYEOBZRSJCGZ-SCTDSRPQSA-N 1 1 373.497 1.907 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000230548448 571096653 /nfs/dbraw/zinc/09/66/53/571096653.db2.gz VFQBGOASWXJFML-IBGZPJMESA-N 1 1 365.481 1.962 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000230548448 571096656 /nfs/dbraw/zinc/09/66/56/571096656.db2.gz VFQBGOASWXJFML-IBGZPJMESA-N 1 1 365.481 1.962 50 0 FDAAMO Cn1nncc1C[N@H+]1C[C@@H]2COCC[C@]2(C(=O)NCC2=CCCCC2)C1 ZINC000685940286 571099867 /nfs/dbraw/zinc/09/98/67/571099867.db2.gz CHVMNSPEQUKWAT-APWZRJJASA-N 1 1 359.474 1.270 50 0 FDAAMO Cc1noc([C@H]2CC(=O)N(C3C[NH+](CCCc4cnccc4C)C3)C2)n1 ZINC000685940831 571099918 /nfs/dbraw/zinc/09/99/18/571099918.db2.gz JIMLRYYBXZNQAF-INIZCTEOSA-N 1 1 355.442 1.714 50 0 FDAAMO Cc1cc(CN(C)C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000242324324 571111239 /nfs/dbraw/zinc/11/12/39/571111239.db2.gz ZADNIILLFYYKRG-INIZCTEOSA-N 1 1 356.426 1.332 50 0 FDAAMO CN(C)S(=O)(=O)CCC[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000243932088 571112920 /nfs/dbraw/zinc/11/29/20/571112920.db2.gz BSLJDDCEVRRIPQ-UHFFFAOYSA-N 1 1 366.487 1.248 50 0 FDAAMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000244701192 571114682 /nfs/dbraw/zinc/11/46/82/571114682.db2.gz KBWKHBUNAFQGFU-UHFFFAOYSA-N 1 1 352.460 1.231 50 0 FDAAMO COCCc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3nccs3)C2)n1 ZINC000244795357 571116996 /nfs/dbraw/zinc/11/69/96/571116996.db2.gz REVDUSBYLHHRQI-LBPRGKRZSA-N 1 1 365.459 1.923 50 0 FDAAMO CC(=O)Nc1nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2s1 ZINC000013691444 571128497 /nfs/dbraw/zinc/12/84/97/571128497.db2.gz GCLSVJLZMBDMIQ-UHFFFAOYSA-N 1 1 362.455 1.707 50 0 FDAAMO Cc1cn2c(nc(C[N@H+]3CCc4nc(C)[nH]c(=O)c4CC3)cc2=O)s1 ZINC000253536458 571137746 /nfs/dbraw/zinc/13/77/46/571137746.db2.gz FZFUNWSNFNVHPN-UHFFFAOYSA-N 1 1 357.439 1.469 50 0 FDAAMO COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC000426398180 571219836 /nfs/dbraw/zinc/21/98/36/571219836.db2.gz UEHGZZWAZDQKRK-QZTJIDSGSA-N 1 1 359.426 1.665 50 0 FDAAMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC000426398180 571219838 /nfs/dbraw/zinc/21/98/38/571219838.db2.gz UEHGZZWAZDQKRK-QZTJIDSGSA-N 1 1 359.426 1.665 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)N1CCC(Cc2cccnc2)CC1 ZINC000426473547 571227193 /nfs/dbraw/zinc/22/71/93/571227193.db2.gz LDEZAWCGPOYQGN-IBGZPJMESA-N 1 1 360.502 1.750 50 0 FDAAMO CN1CC(=O)N(c2cccc(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)C1=O ZINC000426491153 571228047 /nfs/dbraw/zinc/22/80/47/571228047.db2.gz XHTOZZXULHQKFY-INIZCTEOSA-N 1 1 371.441 1.787 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000426492778 571228293 /nfs/dbraw/zinc/22/82/93/571228293.db2.gz IUTHHCRBVRTVBR-QGZVFWFLSA-N 1 1 374.533 1.603 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000426545035 571230982 /nfs/dbraw/zinc/23/09/82/571230982.db2.gz KHAAQPCTBMKCQP-AWEZNQCLSA-N 1 1 356.426 1.377 50 0 FDAAMO Cc1cc(=O)oc2ccc(OCC(=O)N3CC[C@@H]([N@@H+](C)CCO)[C@H]3C)cc12 ZINC000253419623 571312859 /nfs/dbraw/zinc/31/28/59/571312859.db2.gz BJHXEQFMLIIINT-RHSMWYFYSA-N 1 1 374.437 1.394 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1CCC(n2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000390828777 571328359 /nfs/dbraw/zinc/32/83/59/571328359.db2.gz UFRWGQYXAXZHFX-UHFFFAOYSA-N 1 1 373.438 1.532 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNS(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000670450802 571352558 /nfs/dbraw/zinc/35/25/58/571352558.db2.gz RTXVVJRHTRZYDP-KRWDZBQOSA-N 1 1 355.504 1.311 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)C2)cc1F ZINC000670467856 571359274 /nfs/dbraw/zinc/35/92/74/571359274.db2.gz RFNYVBGRIGBJQF-OAHLLOKOSA-N 1 1 350.438 1.366 50 0 FDAAMO O[C@H](COc1cccc(CN2CCSCC2)c1)C[NH+]1CCC(O)CC1 ZINC000011880094 670608864 /nfs/dbraw/zinc/60/88/64/670608864.db2.gz OIVCQYBXSFOCPN-SFHVURJKSA-N 1 1 366.527 1.432 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(Br)cc3)C[C@H]2C1=O ZINC000169757517 672039619 /nfs/dbraw/zinc/03/96/19/672039619.db2.gz JVCHYGFNHNVADX-OKILXGFUSA-N 1 1 367.243 1.512 50 0 FDAAMO CCNC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)NC)[C@H]23 ZINC000257193886 672631250 /nfs/dbraw/zinc/63/12/50/672631250.db2.gz SCLCYRQESZPODK-LHHMISFZSA-N 1 1 350.507 1.807 50 0 FDAAMO CCOc1ccccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO ZINC000257193389 794038552 /nfs/dbraw/zinc/03/85/52/794038552.db2.gz YKGFNVVIVLKVPX-MAUKXSAKSA-N 1 1 355.438 1.703 50 0 FDAAMO CCOc1ccccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO ZINC000257193389 794038557 /nfs/dbraw/zinc/03/85/57/794038557.db2.gz YKGFNVVIVLKVPX-MAUKXSAKSA-N 1 1 355.438 1.703 50 0 FDAAMO Cc1nc(C(=O)N2CCC3(C[C@@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)co1 ZINC000675009239 795200231 /nfs/dbraw/zinc/20/02/31/795200231.db2.gz BKQQBIIZVFROCJ-INIZCTEOSA-N 1 1 360.458 1.532 50 0 FDAAMO Cc1cnn(CC(=O)N2CCC3(C[C@@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)c1 ZINC000675011610 795212443 /nfs/dbraw/zinc/21/24/43/795212443.db2.gz VPRUWQWZPLVXGW-KRWDZBQOSA-N 1 1 373.501 1.127 50 0 FDAAMO Cc1nnc([C@H]2CC[N@@H+](CCCO)CCN2C(=O)Cc2ccccc2)[nH]1 ZINC000675015378 795227561 /nfs/dbraw/zinc/22/75/61/795227561.db2.gz WTIFKQOGEIZIKK-QGZVFWFLSA-N 1 1 357.458 1.314 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1ccc(C)cn1)CC2 ZINC000675021665 795246710 /nfs/dbraw/zinc/24/67/10/795246710.db2.gz SACJMLPUWXJTKW-WBVHZDCISA-N 1 1 353.488 1.120 50 0 FDAAMO CC[N@H+]1CC[C@H](N(C)c2ncnc3c2ncn3C[C@@]2(O)CCOC2)[C@H](C)C1 ZINC000888097641 808184608 /nfs/dbraw/zinc/18/46/08/808184608.db2.gz LVAOVQCOTHPBLR-VCBZYWHSSA-N 1 1 374.489 1.144 50 0 FDAAMO CCCC[N@@H+](C)Cc1ccc(C(=O)NCc2c(C)nn(C)c2C)c(=O)[nH]1 ZINC000011973800 872901619 /nfs/dbraw/zinc/90/16/19/872901619.db2.gz ZDDBGRXTKOSQMG-UHFFFAOYSA-N 1 1 359.474 1.887 50 0 FDAAMO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)n2)cc1 ZINC000012744925 877500989 /nfs/dbraw/zinc/50/09/89/877500989.db2.gz NXHPZQGPKHFVEB-CQSZACIVSA-N 1 1 372.425 1.871 50 0 FDAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H](CNC(C)=O)C3)n2)cc1 ZINC000012744925 877501009 /nfs/dbraw/zinc/50/10/09/877501009.db2.gz NXHPZQGPKHFVEB-CQSZACIVSA-N 1 1 372.425 1.871 50 0 FDAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)CCc2cnn(C)c2)[nH]n1 ZINC000012305643 877965680 /nfs/dbraw/zinc/96/56/80/877965680.db2.gz FMPCDJBTMMROPS-UHFFFAOYSA-N 1 1 355.446 1.826 50 0 FDAAMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccoc2CC(N)=O)C1 ZINC000376043116 901296044 /nfs/dbraw/zinc/29/60/44/901296044.db2.gz LPHCHGAZFAQNCG-UHFFFAOYSA-N 1 1 371.437 1.689 50 0 FDAAMO COC(=O)c1ccc(S(=O)(=O)N2CCC[N@H+](C3CCC3)CC2)cc1 ZINC000824195700 922828571 /nfs/dbraw/zinc/82/85/71/922828571.db2.gz AXXBSICSLWRUTI-UHFFFAOYSA-N 1 1 352.456 1.722 50 0 FDAAMO CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[N@H+](C)[C@@H](CCO)C1 ZINC000828747039 924932816 /nfs/dbraw/zinc/93/28/16/924932816.db2.gz AWLFGSSVDSYJRP-ZDUSSCGKSA-N 1 1 353.850 1.827 50 0 FDAAMO CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000828747039 924932819 /nfs/dbraw/zinc/93/28/19/924932819.db2.gz AWLFGSSVDSYJRP-ZDUSSCGKSA-N 1 1 353.850 1.827 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cccnc3)CC2)C12CCOCC2 ZINC000581802266 927586364 /nfs/dbraw/zinc/58/63/64/927586364.db2.gz IKZUABVRQVNYHM-GOSISDBHSA-N 1 1 359.470 1.495 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1cccnc1)CC2 ZINC000581802498 927587065 /nfs/dbraw/zinc/58/70/65/927587065.db2.gz JBVNETCPEPHEEV-GOSISDBHSA-N 1 1 358.486 1.340 50 0 FDAAMO COc1ccnc(NC2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)n1 ZINC000192868436 953033545 /nfs/dbraw/zinc/03/35/45/953033545.db2.gz SXKBHZFVQUQKPZ-UHFFFAOYSA-N 1 1 367.453 1.951 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000952860344 960186902 /nfs/dbraw/zinc/18/69/02/960186902.db2.gz MVQVBPOXTQXXOY-QFBILLFUSA-N 1 1 370.428 1.624 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC000952871692 960219573 /nfs/dbraw/zinc/21/95/73/960219573.db2.gz BGOIEOYTBPUREY-YGRLFVJLSA-N 1 1 374.268 1.340 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000952963480 960246386 /nfs/dbraw/zinc/24/63/86/960246386.db2.gz KKJWZNLJECNIPJ-OCCSQVGLSA-N 1 1 373.375 1.052 50 0 FDAAMO CCC(=O)N1CCC(C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000952964179 960246528 /nfs/dbraw/zinc/24/65/28/960246528.db2.gz BRGRWMWZYHPRBL-UHFFFAOYSA-N 1 1 364.534 1.311 50 0 FDAAMO COc1cccc([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952975486 960270747 /nfs/dbraw/zinc/27/07/47/960270747.db2.gz YVBUDWVJNRGWBY-FUHWJXTLSA-N 1 1 359.470 1.946 50 0 FDAAMO CNC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](CC(C)C)CC2)cs1 ZINC000952991662 960286002 /nfs/dbraw/zinc/28/60/02/960286002.db2.gz QNNRGZZHMWQNNQ-UHFFFAOYSA-N 1 1 359.517 1.460 50 0 FDAAMO CC[N@H+]1CCC[C@]2(CCCN(S(=O)(=O)N3CCC(COC)CC3)C2)C1 ZINC000952982657 960296758 /nfs/dbraw/zinc/29/67/58/960296758.db2.gz ZPILRTURQDWZBI-SFHVURJKSA-N 1 1 373.563 1.788 50 0 FDAAMO O[C@H](C[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1)COC1CCCCC1 ZINC000096162782 1015053851 /nfs/dbraw/zinc/05/38/51/1015053851.db2.gz YBGQRGLLTZIDAL-OAHLLOKOSA-N 1 1 374.489 1.622 50 0 FDAAMO COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1OC ZINC000225396905 210176479 /nfs/dbraw/zinc/17/64/79/210176479.db2.gz RHKCKTMFDARNKO-OFQRWUPVSA-N 1 1 350.459 1.801 50 0 FDAAMO NC(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000005773524 210083258 /nfs/dbraw/zinc/08/32/58/210083258.db2.gz HLQJGJYHMBPYHT-ZWKOTPCHSA-N 1 1 373.478 1.523 50 0 FDAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 ZINC000299801833 210040597 /nfs/dbraw/zinc/04/05/97/210040597.db2.gz YKPNCDDDZDQKPG-UHFFFAOYSA-N 1 1 351.432 1.194 50 0 FDAAMO Cc1nn(C)cc1-c1cccc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000299789010 210031034 /nfs/dbraw/zinc/03/10/34/210031034.db2.gz UZYCWYAHMWDFDW-SFHVURJKSA-N 1 1 356.470 1.972 50 0 FDAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 ZINC000299787341 210029218 /nfs/dbraw/zinc/02/92/18/210029218.db2.gz SUMSVRMVLJLAJB-MRXNPFEDSA-N 1 1 364.471 1.378 50 0 FDAAMO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000299768111 210016914 /nfs/dbraw/zinc/01/69/14/210016914.db2.gz GDNRFVBVTKFZEJ-INIZCTEOSA-N 1 1 370.457 1.374 50 0 FDAAMO O=C(CN1Cc2ccccc2C1)N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000299766493 210014532 /nfs/dbraw/zinc/01/45/32/210014532.db2.gz DOXOHCRBARBOKX-KRWDZBQOSA-N 1 1 357.498 1.698 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)c3nc4ccccc4[nH]c3=O)CC2)CC1 ZINC000299761534 210013389 /nfs/dbraw/zinc/01/33/89/210013389.db2.gz UYAPYOIGVQGOQC-UHFFFAOYSA-N 1 1 355.442 1.093 50 0 FDAAMO CCc1[nH+]ccn1CCNc1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1 ZINC000299760579 210011695 /nfs/dbraw/zinc/01/16/95/210011695.db2.gz VDDPJINNNFASQN-ZDUSSCGKSA-N 1 1 358.446 1.032 50 0 FDAAMO O[C@@]12CCOC[C@@H]1C[N@@H+](Cc1cnn(-c3ccccc3)c1)[C@H]1CCOC[C@H]12 ZINC000299757196 210009087 /nfs/dbraw/zinc/00/90/87/210009087.db2.gz IYGDXIVLZDYVEY-NRDMVMEKSA-N 1 1 369.465 1.861 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000274656843 181140454 /nfs/dbraw/zinc/14/04/54/181140454.db2.gz DFLRUEBFZFXGIT-UHFFFAOYSA-N 1 1 362.455 1.581 50 0 FDAAMO COCc1noc(CNC(=O)N2CCC[N@H+](Cc3cccnc3)CC2)n1 ZINC000534586338 540386559 /nfs/dbraw/zinc/38/65/59/540386559.db2.gz MUGJBDGXADIJSS-UHFFFAOYSA-N 1 1 360.418 1.029 50 0 FDAAMO COCc1noc(CNC(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)n1 ZINC000534586338 540386562 /nfs/dbraw/zinc/38/65/62/540386562.db2.gz MUGJBDGXADIJSS-UHFFFAOYSA-N 1 1 360.418 1.029 50 0 FDAAMO C[NH+]1CCN(CC(=O)Nc2ccc(-n3cnc(Cl)c3Cl)nc2)CC1 ZINC000061717529 212025003 /nfs/dbraw/zinc/02/50/03/212025003.db2.gz LFLLCCLUDXWUIW-UHFFFAOYSA-N 1 1 369.256 1.760 50 0 FDAAMO COc1cc(CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc(OC)c1OC ZINC000023409016 211389949 /nfs/dbraw/zinc/38/99/49/211389949.db2.gz FFJSCTNHXFWHRG-UHFFFAOYSA-N 1 1 366.458 1.482 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(n2cc(CO)nn2)CC1 ZINC000023380033 211386656 /nfs/dbraw/zinc/38/66/56/211386656.db2.gz OIOBPLGJIAUVJL-LJQANCHMSA-N 1 1 369.469 1.381 50 0 FDAAMO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811829 211364660 /nfs/dbraw/zinc/36/46/60/211364660.db2.gz DICORDXSVDFUNY-IAGOWNOFSA-N 1 1 366.550 1.604 50 0 FDAAMO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811829 211364665 /nfs/dbraw/zinc/36/46/65/211364665.db2.gz DICORDXSVDFUNY-IAGOWNOFSA-N 1 1 366.550 1.604 50 0 FDAAMO CN1CCN(Cn2c3ccccc3n(CN3CC[NH+](C)CC3)c2=S)CC1 ZINC000022036051 211335462 /nfs/dbraw/zinc/33/54/62/211335462.db2.gz BEFBTAFOKSNAFO-UHFFFAOYSA-N 1 1 374.558 1.582 50 0 FDAAMO Cc1ccc(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1F ZINC000022005158 211334055 /nfs/dbraw/zinc/33/40/55/211334055.db2.gz ZCRWROFNAVBYHF-MRXNPFEDSA-N 1 1 366.433 1.764 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccco1 ZINC000021822258 211327360 /nfs/dbraw/zinc/32/73/60/211327360.db2.gz HRBFYCZKAJFIKX-UHFFFAOYSA-N 1 1 356.426 1.423 50 0 FDAAMO C[NH+]1CCN([C@@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000019313592 211214278 /nfs/dbraw/zinc/21/42/78/211214278.db2.gz DQBUFJBEPRYPGZ-CYBMUJFWSA-N 1 1 352.232 1.328 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c4cc(C)ccc4[nH]c3c2=O)CC1 ZINC000015942876 211150839 /nfs/dbraw/zinc/15/08/39/211150839.db2.gz PJKAEPVWGOUMDA-UHFFFAOYSA-N 1 1 353.426 1.350 50 0 FDAAMO Cn1c(=O)cc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)n(C)c1=O ZINC000015065402 211117541 /nfs/dbraw/zinc/11/75/41/211117541.db2.gz CHYHACBTIXQBSA-CQSZACIVSA-N 1 1 362.474 1.001 50 0 FDAAMO COCCN1C[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)CCC1=O ZINC000015068183 211116778 /nfs/dbraw/zinc/11/67/78/211116778.db2.gz ZZUVVMLIHXOQPB-KRWDZBQOSA-N 1 1 370.453 1.682 50 0 FDAAMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000014981661 211111656 /nfs/dbraw/zinc/11/16/56/211111656.db2.gz LZIPUAWXJALRLJ-HNNXBMFYSA-N 1 1 368.499 1.865 50 0 FDAAMO Cc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]2C1 ZINC000014742563 211100758 /nfs/dbraw/zinc/10/07/58/211100758.db2.gz NQBAOANGZHUFHO-WOJBJXKFSA-N 1 1 363.461 1.749 50 0 FDAAMO Cc1ccccc1C[N@H+]1CCN2C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]2C1 ZINC000014742563 211100761 /nfs/dbraw/zinc/10/07/61/211100761.db2.gz NQBAOANGZHUFHO-WOJBJXKFSA-N 1 1 363.461 1.749 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713650 211052462 /nfs/dbraw/zinc/05/24/62/211052462.db2.gz DXKSINPJWYZAMX-INIZCTEOSA-N 1 1 353.488 1.314 50 0 FDAAMO CS(=O)(=O)NC1=NC2=[NH+][C@H](c3ccccc3)C[C@H](c3ccccc3)N2N1 ZINC000013122576 211023636 /nfs/dbraw/zinc/02/36/36/211023636.db2.gz KISCFENOGNFEAC-JKSUJKDBSA-N 1 1 369.450 1.954 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2sccn2c1=O ZINC000022852887 220399720 /nfs/dbraw/zinc/39/97/20/220399720.db2.gz GXDOUWCAUDZPGY-LLVKDONJSA-N 1 1 350.444 1.456 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000060369929 221130212 /nfs/dbraw/zinc/13/02/12/221130212.db2.gz QCUOVCIRUIXJKC-HIFRSBDPSA-N 1 1 369.487 1.375 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000060369929 221130214 /nfs/dbraw/zinc/13/02/14/221130214.db2.gz QCUOVCIRUIXJKC-HIFRSBDPSA-N 1 1 369.487 1.375 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000065362455 221202105 /nfs/dbraw/zinc/20/21/05/221202105.db2.gz LXQJEAQAHNMZCH-MRXNPFEDSA-N 1 1 369.487 1.014 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@H](CN4CCCC4=O)C3)n1)CC[N@@H+](C)CC2 ZINC000065370858 221204704 /nfs/dbraw/zinc/20/47/04/221204704.db2.gz ZPSXCGYLFHRNEK-MRXNPFEDSA-N 1 1 357.502 1.654 50 0 FDAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCCn3nc(C(=O)NCCO)cc3C1)=CC2 ZINC000065372126 221204722 /nfs/dbraw/zinc/20/47/22/221204722.db2.gz OLBYVKZZVOVIJT-RDJZCZTQSA-N 1 1 358.486 1.803 50 0 FDAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+]1CCCn3nc(C(=O)NCCO)cc3C1)=CC2 ZINC000065372126 221204725 /nfs/dbraw/zinc/20/47/25/221204725.db2.gz OLBYVKZZVOVIJT-RDJZCZTQSA-N 1 1 358.486 1.803 50 0 FDAAMO CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1C[C@@H](CO)[N@@H+](C)C1 ZINC000065397998 221212245 /nfs/dbraw/zinc/21/22/45/221212245.db2.gz NWMMHJXJHFXWNP-KGLIPLIRSA-N 1 1 373.478 1.820 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3[nH]cnc3C)CC2)C1 ZINC000067694849 221273621 /nfs/dbraw/zinc/27/36/21/221273621.db2.gz NCTKOLIKRSYTQS-INIZCTEOSA-N 1 1 363.506 1.157 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000067741644 221279170 /nfs/dbraw/zinc/27/91/70/221279170.db2.gz GXEKLRHXAMDSCU-NRFANRHFSA-N 1 1 370.497 1.967 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc2nc(C)[nH]c2c1 ZINC000067790659 221287766 /nfs/dbraw/zinc/28/77/66/221287766.db2.gz BBSBZCKXSCOGNS-YOEHRIQHSA-N 1 1 357.458 1.210 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000071384880 221344467 /nfs/dbraw/zinc/34/44/67/221344467.db2.gz YSEZOYZCERSEFG-AWEZNQCLSA-N 1 1 353.488 1.997 50 0 FDAAMO Cc1cccn2c(C[NH+]3CCC(O)CC3)c(C(=O)N3CCOCC3)nc12 ZINC000071405736 221346356 /nfs/dbraw/zinc/34/63/56/221346356.db2.gz IFLVRNMTMGAYHP-UHFFFAOYSA-N 1 1 358.442 1.072 50 0 FDAAMO O=C(NCc1ncc[nH]1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071738481 221356611 /nfs/dbraw/zinc/35/66/11/221356611.db2.gz JSUOCQLCMPIUKO-OAHLLOKOSA-N 1 1 359.474 1.139 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cncc(F)c3)CC2)C1 ZINC000071758905 221366308 /nfs/dbraw/zinc/36/63/08/221366308.db2.gz ZOTNJGLDOZLSEF-AWEZNQCLSA-N 1 1 374.460 1.816 50 0 FDAAMO CC(C)[C@@H]1CN(C(=O)Cn2cnnn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071721337 221354718 /nfs/dbraw/zinc/35/47/18/221354718.db2.gz GHJNSYRERUWRJD-KRWDZBQOSA-N 1 1 360.437 1.571 50 0 FDAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(CCO)CC2)C1 ZINC000071764731 221371465 /nfs/dbraw/zinc/37/14/65/221371465.db2.gz BMDOIJVQFYNTMV-LJQANCHMSA-N 1 1 359.514 1.514 50 0 FDAAMO CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071767800 221373111 /nfs/dbraw/zinc/37/31/11/221373111.db2.gz XDKZPIGZKZFQQX-LJQANCHMSA-N 1 1 359.514 1.814 50 0 FDAAMO O=S(=O)(NCc1ccccc1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000071771125 221374212 /nfs/dbraw/zinc/37/42/12/221374212.db2.gz CCFNRKRVDLITMP-UHFFFAOYSA-N 1 1 360.483 1.624 50 0 FDAAMO O=S(=O)(NCc1ccccc1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000071771125 221374213 /nfs/dbraw/zinc/37/42/13/221374213.db2.gz CCFNRKRVDLITMP-UHFFFAOYSA-N 1 1 360.483 1.624 50 0 FDAAMO O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)N1CCOc2ccccc21 ZINC000077319919 132180461 /nfs/dbraw/zinc/18/04/61/132180461.db2.gz QQMNDWXUMPSJBQ-KRWDZBQOSA-N 1 1 359.470 1.599 50 0 FDAAMO O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)N1CCOc2ccccc21 ZINC000077319919 132180464 /nfs/dbraw/zinc/18/04/64/132180464.db2.gz QQMNDWXUMPSJBQ-KRWDZBQOSA-N 1 1 359.470 1.599 50 0 FDAAMO CCN1C[C@@]2(CCC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C2)CCC1=O ZINC000082116137 132196089 /nfs/dbraw/zinc/19/60/89/132196089.db2.gz IKOHIOKXPXVDCA-FQEVSTJZSA-N 1 1 373.501 1.538 50 0 FDAAMO CCn1c(Cn2cccn2)nnc1C1CCN(c2nc(NC)cc[nH+]2)CC1 ZINC000091935168 132204905 /nfs/dbraw/zinc/20/49/05/132204905.db2.gz XWPGNNYQENAFPZ-UHFFFAOYSA-N 1 1 367.461 1.759 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@H]1C ZINC000092062388 132206011 /nfs/dbraw/zinc/20/60/11/132206011.db2.gz JPSUVEGMHSDDPT-CQSZACIVSA-N 1 1 356.426 1.718 50 0 FDAAMO Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095358900 132207582 /nfs/dbraw/zinc/20/75/82/132207582.db2.gz JUBBLFVDESYMLN-ZDUSSCGKSA-N 1 1 363.429 1.715 50 0 FDAAMO COc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)ncn1 ZINC000095373014 132209021 /nfs/dbraw/zinc/20/90/21/132209021.db2.gz FXHBQOKBLRBXLS-IBGZPJMESA-N 1 1 359.474 1.398 50 0 FDAAMO Nc1nc2n[nH]cc2c(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)n1 ZINC000106987912 132265847 /nfs/dbraw/zinc/26/58/47/132265847.db2.gz STVTZIRJRKGMAG-LLVKDONJSA-N 1 1 359.459 1.070 50 0 FDAAMO c1nnc2nccc(N3CC[NH+](C[C@@H]4COc5ccccc5O4)CC3)n12 ZINC000252481407 132292265 /nfs/dbraw/zinc/29/22/65/132292265.db2.gz CKOFVGPFTIZAPN-CQSZACIVSA-N 1 1 352.398 1.086 50 0 FDAAMO NC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000040071610 136119236 /nfs/dbraw/zinc/11/92/36/136119236.db2.gz ZGIRBZVAMGTPII-KRWDZBQOSA-N 1 1 362.449 1.204 50 0 FDAAMO O[C@@H]1CCCN(c2cc[nH+]c(NCCc3nc(-c4ccncc4)n[nH]3)n2)C1 ZINC000065428509 136136371 /nfs/dbraw/zinc/13/63/71/136136371.db2.gz JJWJGWIUPHRRAN-CQSZACIVSA-N 1 1 366.429 1.272 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[NH+](Cc3nc(C)ccc3O)CC2)nc1 ZINC000067786150 136137652 /nfs/dbraw/zinc/13/76/52/136137652.db2.gz BVXPRRCYHBIWEX-UHFFFAOYSA-N 1 1 355.442 1.563 50 0 FDAAMO NC(=O)c1cccnc1N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071748229 136140019 /nfs/dbraw/zinc/14/00/19/136140019.db2.gz AEVKLPIANZOMBL-AWEZNQCLSA-N 1 1 371.485 1.140 50 0 FDAAMO C[C@H]1CCc2cc(F)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072130954 136142195 /nfs/dbraw/zinc/14/21/95/136142195.db2.gz FYTVDJUDCOKMHI-DRLYGMLMSA-N 1 1 362.445 1.557 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(c3ccc(C)nn3)C[C@H]2CCO)cc(OC)c1 ZINC000072423012 136146192 /nfs/dbraw/zinc/14/61/92/136146192.db2.gz ZVSJOOUXPZJVDK-QGZVFWFLSA-N 1 1 372.469 1.875 50 0 FDAAMO COc1cc(C[N@H+]2CCN(c3ccc(C)nn3)C[C@H]2CCO)cc(OC)c1 ZINC000072423012 136146193 /nfs/dbraw/zinc/14/61/93/136146193.db2.gz ZVSJOOUXPZJVDK-QGZVFWFLSA-N 1 1 372.469 1.875 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072458506 221538858 /nfs/dbraw/zinc/53/88/58/221538858.db2.gz ANORUOWWZMNMIX-QGZVFWFLSA-N 1 1 356.474 1.422 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccc(F)cc1 ZINC000095375284 221877779 /nfs/dbraw/zinc/87/77/79/221877779.db2.gz JNTFAPXEBCHENJ-QGZVFWFLSA-N 1 1 354.389 1.721 50 0 FDAAMO CC[C@@H](O)Cn1nc(-c2ccc(F)cc2)nc1CC[NH+]1CCN(C)CC1 ZINC000096132458 222038014 /nfs/dbraw/zinc/03/80/14/222038014.db2.gz JVMKAYJEIYLDNY-QGZVFWFLSA-N 1 1 361.465 1.645 50 0 FDAAMO C[C@@H](CCc1nc(CC(N)=O)nn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000096152496 222054995 /nfs/dbraw/zinc/05/49/95/222054995.db2.gz VRIVDRSMEHSYKD-HNNXBMFYSA-N 1 1 362.522 1.380 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccn(C)c1=O)CC2 ZINC000096179869 222067743 /nfs/dbraw/zinc/06/77/43/222067743.db2.gz NUYNARJVTQVXDU-UHFFFAOYSA-N 1 1 369.469 1.508 50 0 FDAAMO O=C(Nc1cccc2cccnc21)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097217591 222168264 /nfs/dbraw/zinc/16/82/64/222168264.db2.gz SJPOIMAEWVSJTG-IRXDYDNUSA-N 1 1 356.426 1.534 50 0 FDAAMO O=C(Nc1cccc2cccnc21)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000097217591 222168266 /nfs/dbraw/zinc/16/82/66/222168266.db2.gz SJPOIMAEWVSJTG-IRXDYDNUSA-N 1 1 356.426 1.534 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000097578766 222194362 /nfs/dbraw/zinc/19/43/62/222194362.db2.gz IKMPOHXVITVVSI-NSHDSACASA-N 1 1 355.435 1.172 50 0 FDAAMO COCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)[nH]n1 ZINC000097604298 222198711 /nfs/dbraw/zinc/19/87/11/222198711.db2.gz NIUCWFGDIPCYEA-AWEZNQCLSA-N 1 1 350.463 1.406 50 0 FDAAMO COCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)n[nH]1 ZINC000097604298 222198713 /nfs/dbraw/zinc/19/87/13/222198713.db2.gz NIUCWFGDIPCYEA-AWEZNQCLSA-N 1 1 350.463 1.406 50 0 FDAAMO COCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)n[nH]1 ZINC000097604298 222198715 /nfs/dbraw/zinc/19/87/15/222198715.db2.gz NIUCWFGDIPCYEA-AWEZNQCLSA-N 1 1 350.463 1.406 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000104225447 222352307 /nfs/dbraw/zinc/35/23/07/222352307.db2.gz QZTJICFPDRZOHI-VXGBXAGGSA-N 1 1 360.414 1.458 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000104225447 222352308 /nfs/dbraw/zinc/35/23/08/222352308.db2.gz QZTJICFPDRZOHI-VXGBXAGGSA-N 1 1 360.414 1.458 50 0 FDAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000106864922 222387526 /nfs/dbraw/zinc/38/75/26/222387526.db2.gz ALTNJGPPAOQPLT-ZNMIVQPWSA-N 1 1 352.504 1.680 50 0 FDAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000106864922 222387530 /nfs/dbraw/zinc/38/75/30/222387530.db2.gz ALTNJGPPAOQPLT-ZNMIVQPWSA-N 1 1 352.504 1.680 50 0 FDAAMO c1c[nH]c(CN2CCCn3nc(CN4CC[N@H+]5CCCC[C@H]5C4)cc3C2)n1 ZINC000106996098 222389576 /nfs/dbraw/zinc/38/95/76/222389576.db2.gz ZOJDYKQCZMZQAH-SFHVURJKSA-N 1 1 369.517 1.682 50 0 FDAAMO Cc1ccc(CN2[NH+]=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000004316618 518293000 /nfs/dbraw/zinc/29/30/00/518293000.db2.gz KAHRGJVKMTXZIZ-UHFFFAOYSA-N 1 1 352.398 1.138 50 0 FDAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000004503967 518301129 /nfs/dbraw/zinc/30/11/29/518301129.db2.gz VLIXPVZDBZWYJY-JYJNAYRXSA-N 1 1 359.426 1.591 50 0 FDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000004574434 518304940 /nfs/dbraw/zinc/30/49/40/518304940.db2.gz KAJNEQMXZBCRCT-UHFFFAOYSA-N 1 1 369.462 1.320 50 0 FDAAMO C[NH+](C)CCNC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000004676861 518306389 /nfs/dbraw/zinc/30/63/89/518306389.db2.gz XYJFKVMLEXATPE-INIZCTEOSA-N 1 1 361.829 1.604 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000006940138 518392821 /nfs/dbraw/zinc/39/28/21/518392821.db2.gz GJUIMXNTZLFGBV-WBVHZDCISA-N 1 1 351.443 1.848 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937181 518393238 /nfs/dbraw/zinc/39/32/38/518393238.db2.gz PEBTXDKUVIWFIS-CYBMUJFWSA-N 1 1 353.426 1.478 50 0 FDAAMO CCCC[N@@H+](C)CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937320 518394055 /nfs/dbraw/zinc/39/40/55/518394055.db2.gz LPDKDEFEVBFHNU-UHFFFAOYSA-N 1 1 355.442 1.726 50 0 FDAAMO Cc1cccn2c(=O)c(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c(O)nc12 ZINC000008604399 518480766 /nfs/dbraw/zinc/48/07/66/518480766.db2.gz MUKHSPVJZMTUHZ-CQSZACIVSA-N 1 1 358.442 1.703 50 0 FDAAMO CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccccc2)n(C)c1=O ZINC000008706232 518482437 /nfs/dbraw/zinc/48/24/37/518482437.db2.gz NWQSQUHDQRYHDS-CYBMUJFWSA-N 1 1 366.425 1.874 50 0 FDAAMO COC(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000011718904 518571852 /nfs/dbraw/zinc/57/18/52/518571852.db2.gz LCIOKALKJQPYIU-KRWDZBQOSA-N 1 1 359.470 1.762 50 0 FDAAMO COC(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000011718904 518571855 /nfs/dbraw/zinc/57/18/55/518571855.db2.gz LCIOKALKJQPYIU-KRWDZBQOSA-N 1 1 359.470 1.762 50 0 FDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)[NH+](C)C ZINC000011898918 518577350 /nfs/dbraw/zinc/57/73/50/518577350.db2.gz CNOISJQHKLGAQP-OAHLLOKOSA-N 1 1 372.425 1.154 50 0 FDAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)Cn1cnnn1 ZINC000012203146 518596797 /nfs/dbraw/zinc/59/67/97/518596797.db2.gz DQQFKSQMEZPMSH-OAHLLOKOSA-N 1 1 360.437 1.225 50 0 FDAAMO C[N@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000012542498 518620013 /nfs/dbraw/zinc/62/00/13/518620013.db2.gz OROSITLRHKYDKO-UHFFFAOYSA-N 1 1 374.485 1.723 50 0 FDAAMO C[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1N1CCOCC1 ZINC000012542498 518620017 /nfs/dbraw/zinc/62/00/17/518620017.db2.gz OROSITLRHKYDKO-UHFFFAOYSA-N 1 1 374.485 1.723 50 0 FDAAMO CSCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012572198 518621984 /nfs/dbraw/zinc/62/19/84/518621984.db2.gz IJOSLOPTYSOYOJ-AWEZNQCLSA-N 1 1 353.532 1.721 50 0 FDAAMO Cc1cc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)n2ncnc2n1 ZINC000014248894 518685378 /nfs/dbraw/zinc/68/53/78/518685378.db2.gz UBASYHYSTJWAFI-UHFFFAOYSA-N 1 1 350.426 1.690 50 0 FDAAMO O=C(CCC(=O)Nc1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000020146363 518844625 /nfs/dbraw/zinc/84/46/25/518844625.db2.gz UKJXQAWWPRNQKN-UHFFFAOYSA-N 1 1 353.850 1.897 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCC(O)CC3)nc2)C1 ZINC000020200955 518845608 /nfs/dbraw/zinc/84/56/08/518845608.db2.gz GDQUADRQHLJDAY-MRXNPFEDSA-N 1 1 360.502 1.750 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc2ccccc2c(=O)n1CCOC ZINC000031816603 519465631 /nfs/dbraw/zinc/46/56/31/519465631.db2.gz NUOGBQZYYWMZAW-CQSZACIVSA-N 1 1 358.442 1.257 50 0 FDAAMO CCNC(=O)CN1CC[NH+](CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000032770114 519536148 /nfs/dbraw/zinc/53/61/48/519536148.db2.gz URDZEJWQXRJOIW-UHFFFAOYSA-N 1 1 358.486 1.258 50 0 FDAAMO O=S(=O)(Cc1ccc(F)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000032935803 519553595 /nfs/dbraw/zinc/55/35/95/519553595.db2.gz CWBNNNLEPPRQLH-UHFFFAOYSA-N 1 1 356.463 1.700 50 0 FDAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000035380386 519604760 /nfs/dbraw/zinc/60/47/60/519604760.db2.gz NGNFYZOSKDENJD-BZSNNMDCSA-N 1 1 359.470 1.137 50 0 FDAAMO COc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485103 519608828 /nfs/dbraw/zinc/60/88/28/519608828.db2.gz FFQIKUBCTCLQFD-KUHUBIRLSA-N 1 1 367.449 1.531 50 0 biogenic FDAAMO COCCC[N@@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COC ZINC000036207040 519619052 /nfs/dbraw/zinc/61/90/52/519619052.db2.gz VREOBUMAXWKCNX-ZDUSSCGKSA-N 1 1 369.487 1.447 50 0 FDAAMO COCCC[N@H+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COC ZINC000036207040 519619056 /nfs/dbraw/zinc/61/90/56/519619056.db2.gz VREOBUMAXWKCNX-ZDUSSCGKSA-N 1 1 369.487 1.447 50 0 FDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036383705 519620884 /nfs/dbraw/zinc/62/08/84/519620884.db2.gz ZVAOLYXZOVWASV-UHFFFAOYSA-N 1 1 353.422 1.622 50 0 FDAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000036383705 519620888 /nfs/dbraw/zinc/62/08/88/519620888.db2.gz ZVAOLYXZOVWASV-UHFFFAOYSA-N 1 1 353.422 1.622 50 0 FDAAMO CSCc1ccc(C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000040153295 519641224 /nfs/dbraw/zinc/64/12/24/519641224.db2.gz KFVBUOWGLMZCPC-CHWSQXEVSA-N 1 1 362.517 1.671 50 0 FDAAMO CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000019900223 519818218 /nfs/dbraw/zinc/81/82/18/519818218.db2.gz DUKYVKPIHXPZSU-ABHNRTSZSA-N 1 1 367.534 1.792 50 0 FDAAMO CCN(CC)C(=O)C(=O)N[C@H](C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287647 520439794 /nfs/dbraw/zinc/43/97/94/520439794.db2.gz FBHHSMPDVJKVQG-ZBFHGGJFSA-N 1 1 366.531 1.410 50 0 FDAAMO Cc1nnc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000044892264 522015699 /nfs/dbraw/zinc/01/56/99/522015699.db2.gz WCEQPLVSMIRBFF-UHFFFAOYSA-N 1 1 374.470 1.312 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000072133380 522160932 /nfs/dbraw/zinc/16/09/32/522160932.db2.gz BXHDBRMXMHVOMX-AWEZNQCLSA-N 1 1 362.474 1.218 50 0 FDAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN[C@H](C(=O)NC3CC3)C2)c1 ZINC000072150180 522175114 /nfs/dbraw/zinc/17/51/14/522175114.db2.gz UUIQBIKUURVXAR-SFHVURJKSA-N 1 1 353.470 1.746 50 0 FDAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN[C@H](C(=O)NC3CC3)C2)c1 ZINC000072150180 522175127 /nfs/dbraw/zinc/17/51/27/522175127.db2.gz UUIQBIKUURVXAR-SFHVURJKSA-N 1 1 353.470 1.746 50 0 FDAAMO Cc1nccc(-c2ccccc2)c1C(=O)N1CC[NH2+]C[C@H]1C(=O)NC1CC1 ZINC000072150855 522177345 /nfs/dbraw/zinc/17/73/45/522177345.db2.gz HSDQKBVNWKMZQZ-SFHVURJKSA-N 1 1 364.449 1.750 50 0 FDAAMO Cc1oc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N[C@H]1CC[C@H]1[NH3+] ZINC000072152231 522177840 /nfs/dbraw/zinc/17/78/40/522177840.db2.gz SLHOWABRUBLNES-SFYZADRCSA-N 1 1 364.349 1.765 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cn2c(n1)CNCC2 ZINC000072152715 522180709 /nfs/dbraw/zinc/18/07/09/522180709.db2.gz CWHQFELHFDDTQT-QGZVFWFLSA-N 1 1 353.470 1.596 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000072289181 522204666 /nfs/dbraw/zinc/20/46/66/522204666.db2.gz PUGOOCJOUPGVKA-CQSZACIVSA-N 1 1 350.467 1.080 50 0 FDAAMO O=C(c1c[nH]c2ccccc12)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000058202651 522222248 /nfs/dbraw/zinc/22/22/48/522222248.db2.gz JZQOKXAEAURVSP-UHFFFAOYSA-N 1 1 354.454 1.938 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(C(=O)CNC(=O)C3CCCC3)CC2)cc1 ZINC000058208930 522223109 /nfs/dbraw/zinc/22/31/09/522223109.db2.gz JCFLLLYJWCMDSF-UHFFFAOYSA-N 1 1 373.497 1.688 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000072407453 522235759 /nfs/dbraw/zinc/23/57/59/522235759.db2.gz CRFGWGRUSYYZQY-ZDUSSCGKSA-N 1 1 361.412 1.779 50 0 FDAAMO Cc1ccc([C@H]2C[N@H+](CC(=O)N3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072432194 522268522 /nfs/dbraw/zinc/26/85/22/522268522.db2.gz ZLTPNFJCIVTQCK-CEMLEFRQSA-N 1 1 369.509 1.716 50 0 FDAAMO Cc1ccc([C@H]2C[N@@H+](CC(=O)N3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072432194 522268531 /nfs/dbraw/zinc/26/85/31/522268531.db2.gz ZLTPNFJCIVTQCK-CEMLEFRQSA-N 1 1 369.509 1.716 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)s1 ZINC000082091405 522340989 /nfs/dbraw/zinc/34/09/89/522340989.db2.gz XNMLWDHRLNRYOG-GOSISDBHSA-N 1 1 366.531 1.796 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC000082138551 522767110 /nfs/dbraw/zinc/76/71/10/522767110.db2.gz UUWPDBYEDVQJJU-HNNXBMFYSA-N 1 1 364.490 1.557 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000075110545 522879702 /nfs/dbraw/zinc/87/97/02/522879702.db2.gz GNROARBKBHXWQA-OLZOCXBDSA-N 1 1 354.472 1.916 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@@H]1CO ZINC000091621424 522883860 /nfs/dbraw/zinc/88/38/60/522883860.db2.gz LDZCYBIIIJVZAO-CHWSQXEVSA-N 1 1 358.841 1.013 50 0 FDAAMO COc1ccc(/C=C/C[N@H+]2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cc1 ZINC000077505265 523366555 /nfs/dbraw/zinc/36/65/55/523366555.db2.gz INJAETMSJYXQIZ-LHZYAQQZSA-N 1 1 368.437 1.364 50 0 FDAAMO CCn1ncnc1[C@H](C)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055118768 523752390 /nfs/dbraw/zinc/75/23/90/523752390.db2.gz IPDNMZHMBPQAOX-HNNXBMFYSA-N 1 1 373.457 1.386 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000055326201 523796665 /nfs/dbraw/zinc/79/66/65/523796665.db2.gz NLUGZMJDNXSKKZ-CYBMUJFWSA-N 1 1 361.471 1.353 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000055326201 523796668 /nfs/dbraw/zinc/79/66/68/523796668.db2.gz NLUGZMJDNXSKKZ-CYBMUJFWSA-N 1 1 361.471 1.353 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)NCc3ccccc3C)C2)C1=O ZINC000091656989 523830153 /nfs/dbraw/zinc/83/01/53/523830153.db2.gz BUUSVNAOGZYHMU-NRFANRHFSA-N 1 1 373.497 1.572 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cnc(-c3cccc(C)c3)[nH]c2=O)C1 ZINC000082099363 523860960 /nfs/dbraw/zinc/86/09/60/523860960.db2.gz OTHRWPZWPMZVKU-HNNXBMFYSA-N 1 1 370.453 1.856 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccc3c(c1)OCO3)C2 ZINC000091391009 523888100 /nfs/dbraw/zinc/88/81/00/523888100.db2.gz WIFUYGXXCVNVDA-IAGOWNOFSA-N 1 1 360.454 1.917 50 0 FDAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OCCN1CCOCC1)C2 ZINC000091462114 524026186 /nfs/dbraw/zinc/02/61/86/524026186.db2.gz AEMZXPHYNLQCTA-AZUAARDMSA-N 1 1 359.514 1.924 50 0 FDAAMO COc1ccc(CNC(=O)N2CCC[N@@H+](CCn3cccn3)CC2)cc1 ZINC000085470478 524057106 /nfs/dbraw/zinc/05/71/06/524057106.db2.gz YUCKUCKOCIBUDJ-UHFFFAOYSA-N 1 1 357.458 1.809 50 0 FDAAMO CCN1C[C@]2(CCC[N@@H+](Cc3cnn(CCC(=O)OC)c3)C2)CCC1=O ZINC000082091845 524207977 /nfs/dbraw/zinc/20/79/77/524207977.db2.gz BZPSHWPFXPHWLC-LJQANCHMSA-N 1 1 362.474 1.671 50 0 FDAAMO COc1ccc(N2C[C@@H](C(=O)NCCCn3c[nH+]cc3C)CC2=O)cc1 ZINC000089702455 524443465 /nfs/dbraw/zinc/44/34/65/524443465.db2.gz HPGHLKSNDIOOCB-HNNXBMFYSA-N 1 1 356.426 1.760 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091411714 524698650 /nfs/dbraw/zinc/69/86/50/524698650.db2.gz ZAXTZFPSDDRMEF-XJFOESAGSA-N 1 1 356.850 1.723 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cnn(-c3ccccc3)c1)C2 ZINC000091391283 524698744 /nfs/dbraw/zinc/69/87/44/524698744.db2.gz UZHWSFJQDLUKSV-FXAWDEMLSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cnn(-c3ccccc3)c2)C1 ZINC000091391283 524698751 /nfs/dbraw/zinc/69/87/51/524698751.db2.gz UZHWSFJQDLUKSV-FXAWDEMLSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cnn(-c3ccccc3)c2)C1 ZINC000091391283 524698760 /nfs/dbraw/zinc/69/87/60/524698760.db2.gz UZHWSFJQDLUKSV-FXAWDEMLSA-N 1 1 367.497 1.857 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)C[C@@H]1CO ZINC000091416687 524701504 /nfs/dbraw/zinc/70/15/04/524701504.db2.gz LKLQGPVKLJKFBF-HZPDHXFCSA-N 1 1 372.469 1.718 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 ZINC000091445020 524704901 /nfs/dbraw/zinc/70/49/01/524704901.db2.gz LJYTUJQHHLVGRV-UHFFFAOYSA-N 1 1 354.458 1.631 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2c(C)cccc2OC)C1 ZINC000091487063 524717468 /nfs/dbraw/zinc/71/74/68/524717468.db2.gz MXPGTJMUZJGDGF-SJORKVTESA-N 1 1 364.486 1.652 50 0 FDAAMO CCc1ccccc1C(=O)N1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091587510 524733855 /nfs/dbraw/zinc/73/38/55/524733855.db2.gz CQIXZVPPMCPGDR-RTBURBONSA-N 1 1 359.514 1.567 50 0 FDAAMO CCc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091587510 524733867 /nfs/dbraw/zinc/73/38/67/524733867.db2.gz CQIXZVPPMCPGDR-RTBURBONSA-N 1 1 359.514 1.567 50 0 FDAAMO CCc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091587510 524733878 /nfs/dbraw/zinc/73/38/78/524733878.db2.gz CQIXZVPPMCPGDR-RTBURBONSA-N 1 1 359.514 1.567 50 0 FDAAMO NC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)cc2)[C@@H](C2CC2)C1 ZINC000091679516 524758760 /nfs/dbraw/zinc/75/87/60/524758760.db2.gz CSMGAQRTWDSQJP-MSOLQXFVSA-N 1 1 356.470 1.212 50 0 FDAAMO NC(=O)C[N@H+]1C[C@H](NC(=O)c2ccc(N3CCCC3)cc2)[C@@H](C2CC2)C1 ZINC000091679516 524758770 /nfs/dbraw/zinc/75/87/70/524758770.db2.gz CSMGAQRTWDSQJP-MSOLQXFVSA-N 1 1 356.470 1.212 50 0 FDAAMO CC(C)c1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)cs1 ZINC000091713758 524767728 /nfs/dbraw/zinc/76/77/28/524767728.db2.gz QJYDMBMTECEGOT-UONOGXRCSA-N 1 1 364.515 1.891 50 0 FDAAMO CC(C)c1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)cs1 ZINC000091713758 524767738 /nfs/dbraw/zinc/76/77/38/524767738.db2.gz QJYDMBMTECEGOT-UONOGXRCSA-N 1 1 364.515 1.891 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000091876484 524802261 /nfs/dbraw/zinc/80/22/61/524802261.db2.gz CFCWOSXPFKLQEA-JKSUJKDBSA-N 1 1 368.441 1.135 50 0 FDAAMO COc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1[nH]cnc1C)C2 ZINC000092028350 524830482 /nfs/dbraw/zinc/83/04/82/524830482.db2.gz MVJLQTYEFGJSOA-LSDHHAIUSA-N 1 1 355.442 1.858 50 0 FDAAMO COc1ncccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1[nH]cnc1C)C2 ZINC000092028350 524830494 /nfs/dbraw/zinc/83/04/94/524830494.db2.gz MVJLQTYEFGJSOA-LSDHHAIUSA-N 1 1 355.442 1.858 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCCCCC3)C2)C1=O ZINC000092065596 524837336 /nfs/dbraw/zinc/83/73/36/524837336.db2.gz BBGHZBFYHMCCSI-IBGZPJMESA-N 1 1 351.491 1.350 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000092096686 524847031 /nfs/dbraw/zinc/84/70/31/524847031.db2.gz QBMQHNCRNYFLEE-ZDUSSCGKSA-N 1 1 359.405 1.143 50 0 FDAAMO CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095362748 525036544 /nfs/dbraw/zinc/03/65/44/525036544.db2.gz ZCSRVNDHTWLSLZ-FUHWJXTLSA-N 1 1 353.470 1.964 50 0 FDAAMO c1cn(Cc2cscn2)c([C@H]2CCC[N@H+](CCCn3cnnn3)C2)n1 ZINC000095372214 525046053 /nfs/dbraw/zinc/04/60/53/525046053.db2.gz OSMPIPAUEWFULP-AWEZNQCLSA-N 1 1 358.475 1.644 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(c1)ncn(C)c3=O)C2 ZINC000095374531 525047129 /nfs/dbraw/zinc/04/71/29/525047129.db2.gz BISXGUPYNYTWPC-GDBMZVCRSA-N 1 1 370.453 1.116 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095371883 525047602 /nfs/dbraw/zinc/04/76/02/525047602.db2.gz MGKFWWJZMNDRKS-GOSISDBHSA-N 1 1 359.449 1.506 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3cccc(O)c3n2)C[C@H]1NC(=O)N(C)C ZINC000095375973 525050923 /nfs/dbraw/zinc/05/09/23/525050923.db2.gz YYSBHWNWJKHVEZ-LSDHHAIUSA-N 1 1 373.457 1.128 50 0 FDAAMO CC(C)[C@@H]1C[N@H+](CC(=O)NCCc2ccccc2)C[C@H]1NC(=O)N(C)C ZINC000095389251 525063762 /nfs/dbraw/zinc/06/37/62/525063762.db2.gz BHOBSAMLNYMSCM-ZWKOTPCHSA-N 1 1 360.502 1.573 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](CC(=O)NCCc2ccccc2)C[C@H]1NC(=O)N(C)C ZINC000095389251 525063771 /nfs/dbraw/zinc/06/37/71/525063771.db2.gz BHOBSAMLNYMSCM-ZWKOTPCHSA-N 1 1 360.502 1.573 50 0 FDAAMO CCOC(=O)c1cnn(CC[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1N ZINC000095402225 525067487 /nfs/dbraw/zinc/06/74/87/525067487.db2.gz HMBSKORZUSTPEJ-CYBMUJFWSA-N 1 1 374.445 1.782 50 0 FDAAMO CSC[C@@H](CCO)Nc1nc(N[C@@H](CCO)CSC)c(C)c[nH+]1 ZINC000095409762 525067796 /nfs/dbraw/zinc/06/77/96/525067796.db2.gz KQMGKWQYDRVZFE-QWHCGFSZSA-N 1 1 360.549 1.837 50 0 FDAAMO C[NH+]1CCN([C@H](C(=O)N2CCC(CCC(N)=O)CC2)c2ccccc2)CC1 ZINC000095453575 525069214 /nfs/dbraw/zinc/06/92/14/525069214.db2.gz FZPTURQLTIAVIN-FQEVSTJZSA-N 1 1 372.513 1.479 50 0 FDAAMO CCC[C@H]1CN(C(=O)Cn2c3ccccc3n(C)c2=O)CC[N@H+]1CCOC ZINC000095452154 525069925 /nfs/dbraw/zinc/06/99/25/525069925.db2.gz OOPGKZZKYVLYTB-INIZCTEOSA-N 1 1 374.485 1.299 50 0 FDAAMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)c(OC)n1 ZINC000095505311 525088354 /nfs/dbraw/zinc/08/83/54/525088354.db2.gz RMGRWFQGOSVPPS-MRXNPFEDSA-N 1 1 371.437 1.418 50 0 FDAAMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c(OC)n1 ZINC000095505311 525088367 /nfs/dbraw/zinc/08/83/67/525088367.db2.gz RMGRWFQGOSVPPS-MRXNPFEDSA-N 1 1 371.437 1.418 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C[N@@H+]1C ZINC000095517755 525097398 /nfs/dbraw/zinc/09/73/98/525097398.db2.gz FMSNXBSQNZIMNZ-CVEARBPZSA-N 1 1 351.878 1.940 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C[N@H+]1C ZINC000095517755 525097403 /nfs/dbraw/zinc/09/74/03/525097403.db2.gz FMSNXBSQNZIMNZ-CVEARBPZSA-N 1 1 351.878 1.940 50 0 FDAAMO O=C(C[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)NCc1ccccc1 ZINC000095530142 525105072 /nfs/dbraw/zinc/10/50/72/525105072.db2.gz VYINESFULMPPJR-WIYYLYMNSA-N 1 1 352.434 1.773 50 0 FDAAMO O=C(C[N@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1)NCc1ccccc1 ZINC000095530142 525105076 /nfs/dbraw/zinc/10/50/76/525105076.db2.gz VYINESFULMPPJR-WIYYLYMNSA-N 1 1 352.434 1.773 50 0 FDAAMO CCN(CC(=O)NC(C)C)[C@H]1CCCC[C@H]1[N@@H+](CC)CC(=O)NC(C)C ZINC000095943812 525109312 /nfs/dbraw/zinc/10/93/12/525109312.db2.gz PKSGBEZKJKKJTH-HDICACEKSA-N 1 1 368.566 1.991 50 0 FDAAMO CCN(CC(=O)NC(C)C)[C@@H]1CCCC[C@@H]1[N@H+](CC)CC(=O)NC(C)C ZINC000095943812 525109322 /nfs/dbraw/zinc/10/93/22/525109322.db2.gz PKSGBEZKJKKJTH-HDICACEKSA-N 1 1 368.566 1.991 50 0 FDAAMO CCN(CC(=O)NC(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](CC)CC(=O)NC(C)C ZINC000095943812 525109325 /nfs/dbraw/zinc/10/93/25/525109325.db2.gz PKSGBEZKJKKJTH-HDICACEKSA-N 1 1 368.566 1.991 50 0 FDAAMO Cc1ccc(N2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)CC2)nn1 ZINC000106073119 525564295 /nfs/dbraw/zinc/56/42/95/525564295.db2.gz HQFCYVMOZMUQFR-UHFFFAOYSA-N 1 1 350.426 1.505 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000169680633 525626076 /nfs/dbraw/zinc/62/60/76/525626076.db2.gz XUYWSWSXFJFRIC-RBUKOAKNSA-N 1 1 364.486 1.555 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000169680633 525626083 /nfs/dbraw/zinc/62/60/83/525626083.db2.gz XUYWSWSXFJFRIC-RBUKOAKNSA-N 1 1 364.486 1.555 50 0 FDAAMO COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1OC ZINC000170604030 525641322 /nfs/dbraw/zinc/64/13/22/525641322.db2.gz RHKCKTMFDARNKO-LZWOXQAQSA-N 1 1 350.459 1.801 50 0 FDAAMO Cc1c(C)c(=O)oc2cc(OCC(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020533591 525673112 /nfs/dbraw/zinc/67/31/12/525673112.db2.gz MXQKYYMMOJDTQH-UHFFFAOYSA-N 1 1 374.437 1.627 50 0 FDAAMO COc1cc(C)ccc1OCCN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000108023885 525932092 /nfs/dbraw/zinc/93/20/92/525932092.db2.gz JPJZKFWZZFTKSO-HXUWFJFHSA-N 1 1 361.486 1.669 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000108086622 525933707 /nfs/dbraw/zinc/93/37/07/525933707.db2.gz BAICXXCYCWAWJS-YVSFHVDLSA-N 1 1 368.522 1.120 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000108086622 525933719 /nfs/dbraw/zinc/93/37/19/525933719.db2.gz BAICXXCYCWAWJS-YVSFHVDLSA-N 1 1 368.522 1.120 50 0 FDAAMO Cc1ccc2[nH]c(C[N@H+]3CCC[C@H](C(=O)NCCCO)C3)cc(=O)c2c1 ZINC000091664781 526097700 /nfs/dbraw/zinc/09/77/00/526097700.db2.gz IEAOVNLFIPDKRG-HNNXBMFYSA-N 1 1 357.454 1.547 50 0 FDAAMO c1ccc(CNc2nc3nonc3nc2NCCC[NH+]2CCOCC2)cc1 ZINC000020512919 526471877 /nfs/dbraw/zinc/47/18/77/526471877.db2.gz ISKSKHFABODGHZ-UHFFFAOYSA-N 1 1 369.429 1.759 50 0 FDAAMO O=C(CC[C@H]1CCC[N@H+](CCO)C1)N1CCN(Cc2ccccc2)CC1 ZINC000020204692 526569668 /nfs/dbraw/zinc/56/96/68/526569668.db2.gz HIPKRPIFRBKRRA-HXUWFJFHSA-N 1 1 359.514 1.815 50 0 FDAAMO O=C(CCc1ccsc1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091519287 526634148 /nfs/dbraw/zinc/63/41/48/526634148.db2.gz GZUPXTASBLXALC-IAGOWNOFSA-N 1 1 352.500 1.470 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H](O)c2cccs2)CC1)N1CCCCCC1 ZINC000085436928 526772441 /nfs/dbraw/zinc/77/24/41/526772441.db2.gz ZELOYQOGQJOQKA-INIZCTEOSA-N 1 1 351.516 1.802 50 0 FDAAMO CN(Cc1cccc(-c2nn[nH]n2)c1)c1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000106272138 536475841 /nfs/dbraw/zinc/47/58/41/536475841.db2.gz OVRNGKICNICSDI-OAHLLOKOSA-N 1 1 366.429 1.254 50 0 FDAAMO NC(=O)CCCC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082157709 526863560 /nfs/dbraw/zinc/86/35/60/526863560.db2.gz BWTAYQOJGMXUOC-UHFFFAOYSA-N 1 1 361.490 1.693 50 0 FDAAMO O=C(Cc1c(F)ccc(Cl)c1F)N[C@H]1C[N@H+](CCO)C[C@@H]1C1CC1 ZINC000091624607 527197321 /nfs/dbraw/zinc/19/73/21/527197321.db2.gz WQNNGAMRUPQWNU-DOMZBBRYSA-N 1 1 358.816 1.980 50 0 FDAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)n1 ZINC000080338753 527458212 /nfs/dbraw/zinc/45/82/12/527458212.db2.gz OAUHXXFDGPGASV-SWLSCSKDSA-N 1 1 359.455 1.770 50 0 FDAAMO OC[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1CN1CCOCC1 ZINC000091644111 527619188 /nfs/dbraw/zinc/61/91/88/527619188.db2.gz BEOIYXFLSGMNNH-NHCUHLMSSA-N 1 1 373.541 1.524 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)NC1CCOCC1 ZINC000182824416 535869373 /nfs/dbraw/zinc/86/93/73/535869373.db2.gz UGRRWEMUDHOXEJ-ZDUSSCGKSA-N 1 1 360.380 1.834 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)NC1CCOCC1 ZINC000182824416 535869379 /nfs/dbraw/zinc/86/93/79/535869379.db2.gz UGRRWEMUDHOXEJ-ZDUSSCGKSA-N 1 1 360.380 1.834 50 0 FDAAMO Cn1c(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)nc2ccccc21 ZINC000248132851 537167743 /nfs/dbraw/zinc/16/77/43/537167743.db2.gz NTCCNUYMDHEAEH-UHFFFAOYSA-N 1 1 355.486 1.559 50 0 FDAAMO CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000257190892 537252871 /nfs/dbraw/zinc/25/28/71/537252871.db2.gz OCRNVXPXGKRFQD-QGZVFWFLSA-N 1 1 364.534 1.310 50 0 FDAAMO COCCc1noc([C@@H]2CCCC[N@@H+]2CC(C)(C)N2CCOCC2)n1 ZINC000215363704 537436343 /nfs/dbraw/zinc/43/63/43/537436343.db2.gz DMLBMWXTMQMJCN-HNNXBMFYSA-N 1 1 352.479 1.896 50 0 FDAAMO COCCc1noc([C@@H]2CCCC[N@H+]2CC(C)(C)N2CCOCC2)n1 ZINC000215363704 537436350 /nfs/dbraw/zinc/43/63/50/537436350.db2.gz DMLBMWXTMQMJCN-HNNXBMFYSA-N 1 1 352.479 1.896 50 0 FDAAMO OC1(Cn2ccnc2)CC[NH+](Cc2cnc(NC[C@@H]3CCCO3)nc2)CC1 ZINC000216129111 537446779 /nfs/dbraw/zinc/44/67/79/537446779.db2.gz ZVAGXPNUXSPKAL-KRWDZBQOSA-N 1 1 372.473 1.291 50 0 FDAAMO CN(C)C(=O)C[C@H](O)c1cc2n(n1)CC[N@@H+](C1CSCCSC1)C2 ZINC000218784695 537466339 /nfs/dbraw/zinc/46/63/39/537466339.db2.gz NUKNAURCEDCLFL-HNNXBMFYSA-N 1 1 370.544 1.059 50 0 FDAAMO CN(C)C(=O)C[C@H](O)c1cc2n(n1)CC[N@H+](C1CSCCSC1)C2 ZINC000218784695 537466341 /nfs/dbraw/zinc/46/63/41/537466341.db2.gz NUKNAURCEDCLFL-HNNXBMFYSA-N 1 1 370.544 1.059 50 0 FDAAMO Nc1nc(CCCNC(=O)C2([NH+]3CCOCC3)CCCCC2)cs1 ZINC000219450241 537475535 /nfs/dbraw/zinc/47/55/35/537475535.db2.gz OURJREWFJNWSTF-UHFFFAOYSA-N 1 1 352.504 1.809 50 0 FDAAMO Cc1nnc(CCNC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000221180146 537496050 /nfs/dbraw/zinc/49/60/50/537496050.db2.gz SHGWGPAXAFIBNG-UHFFFAOYSA-N 1 1 359.499 1.566 50 0 FDAAMO CSc1ncc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)cn1 ZINC000223691346 537531401 /nfs/dbraw/zinc/53/14/01/537531401.db2.gz GTQVPDQSPJIDOL-MRXNPFEDSA-N 1 1 363.531 1.831 50 0 FDAAMO CCN1CC[NH+](Cc2ccc(CN3C(=O)CN(CCOC)C3=O)cc2)CC1 ZINC000225555377 537553782 /nfs/dbraw/zinc/55/37/82/537553782.db2.gz IYQXMOYJSKLTLC-UHFFFAOYSA-N 1 1 374.485 1.235 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1O ZINC000275796166 537573814 /nfs/dbraw/zinc/57/38/14/537573814.db2.gz WFMQWMRCPAIOCU-ZDUSSCGKSA-N 1 1 351.447 1.387 50 0 FDAAMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230203317 537579859 /nfs/dbraw/zinc/57/98/59/537579859.db2.gz ICTWSXFMLFGJKR-PBHICJAKSA-N 1 1 370.453 1.071 50 0 FDAAMO Cc1c(Cl)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)nn1C ZINC000244633284 537648603 /nfs/dbraw/zinc/64/86/03/537648603.db2.gz GALOUICNVBHDRM-ZIAGYGMSSA-N 1 1 363.849 1.142 50 0 FDAAMO Cc1c(Cl)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)nn1C ZINC000244633284 537648607 /nfs/dbraw/zinc/64/86/07/537648607.db2.gz GALOUICNVBHDRM-ZIAGYGMSSA-N 1 1 363.849 1.142 50 0 FDAAMO CC(C)N(C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000245224822 537655440 /nfs/dbraw/zinc/65/54/40/537655440.db2.gz FVRRPTPLNZVXQS-ZIAGYGMSSA-N 1 1 370.494 1.927 50 0 FDAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1cnc2c(O)cccn2c1=O ZINC000426667147 538119432 /nfs/dbraw/zinc/11/94/32/538119432.db2.gz UEGLRRFPKHGFGH-UHFFFAOYSA-N 1 1 364.405 1.618 50 0 FDAAMO NC(=O)COCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426698452 538123964 /nfs/dbraw/zinc/12/39/64/538123964.db2.gz PAXZJPACAFXGLB-HXUWFJFHSA-N 1 1 359.470 1.046 50 0 FDAAMO C[C@@H](CCNC(=O)N1CCC(O)(c2cccnc2)CC1)[NH+]1CCOCC1 ZINC000584884094 551564631 /nfs/dbraw/zinc/56/46/31/551564631.db2.gz BKCSDNSIEPZVAJ-INIZCTEOSA-N 1 1 362.474 1.185 50 0 FDAAMO COC(=O)c1cc(O)cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000584885508 551564670 /nfs/dbraw/zinc/56/46/70/551564670.db2.gz KFPYGZPFCBYFHE-CQSZACIVSA-N 1 1 362.426 1.363 50 0 FDAAMO CCO[C@H]1CN(C)C[C@@H]1NC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000584886673 551565163 /nfs/dbraw/zinc/56/51/63/551565163.db2.gz CBRSAFXTNFSFFG-WMZOPIPTSA-N 1 1 361.490 1.331 50 0 FDAAMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)C1 ZINC000584894855 551566010 /nfs/dbraw/zinc/56/60/10/551566010.db2.gz MZVANUSURUNZSD-MRXNPFEDSA-N 1 1 362.449 1.664 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)N3CCC4(CC3)OCCO4)C2)n1 ZINC000585145885 551574911 /nfs/dbraw/zinc/57/49/11/551574911.db2.gz GGJBSBHTOOLJAZ-MRXNPFEDSA-N 1 1 360.458 1.330 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)N3CCC4(CC3)OCCO4)C2)n1 ZINC000585145885 551574912 /nfs/dbraw/zinc/57/49/12/551574912.db2.gz GGJBSBHTOOLJAZ-MRXNPFEDSA-N 1 1 360.458 1.330 50 0 FDAAMO Cc1cc(C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)on1 ZINC000214992380 568039127 /nfs/dbraw/zinc/03/91/27/568039127.db2.gz IVWAJZPDQVMWPX-UHFFFAOYSA-N 1 1 359.426 1.853 50 0 FDAAMO Cc1cc(C[N@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)on1 ZINC000214992380 568039129 /nfs/dbraw/zinc/03/91/29/568039129.db2.gz IVWAJZPDQVMWPX-UHFFFAOYSA-N 1 1 359.426 1.853 50 0 FDAAMO COCc1cc(CNC(=O)Nc2ccc(C)c(NC(=O)C[NH+](C)C)c2)[nH]n1 ZINC000426535899 570614827 /nfs/dbraw/zinc/61/48/27/570614827.db2.gz PAHCGINWRHCYAJ-UHFFFAOYSA-N 1 1 374.445 1.686 50 0 FDAAMO CN(Cc1nc2ccccc2n1C)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000426536281 570615160 /nfs/dbraw/zinc/61/51/60/570615160.db2.gz LYEGZBPLOJTMCS-HNNXBMFYSA-N 1 1 359.474 1.419 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000075532648 570616878 /nfs/dbraw/zinc/61/68/78/570616878.db2.gz UCKMFPVPQLRSKA-NSHDSACASA-N 1 1 358.377 1.336 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2nc3nc(C)cc(C)n3n2)ccn1 ZINC000047234368 570883160 /nfs/dbraw/zinc/88/31/60/570883160.db2.gz VKABOLQEMCBSKG-UHFFFAOYSA-N 1 1 362.397 1.560 50 0 FDAAMO Cc1c[nH]c(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1 ZINC000426635624 571105640 /nfs/dbraw/zinc/10/56/40/571105640.db2.gz WYVWKPYMPRELQY-HNNXBMFYSA-N 1 1 359.478 1.058 50 0 FDAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1 ZINC000426635624 571105642 /nfs/dbraw/zinc/10/56/42/571105642.db2.gz WYVWKPYMPRELQY-HNNXBMFYSA-N 1 1 359.478 1.058 50 0 FDAAMO COc1ccc(CNC(=O)CC[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000244707805 571114661 /nfs/dbraw/zinc/11/46/61/571114661.db2.gz KHTILCMFSBWCTN-UHFFFAOYSA-N 1 1 369.469 1.704 50 0 FDAAMO CCCc1nc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)cc(C)[nH+]1 ZINC000244716306 571115432 /nfs/dbraw/zinc/11/54/32/571115432.db2.gz LMTDOQBPRLEWNC-GDBMZVCRSA-N 1 1 355.442 1.820 50 0 FDAAMO CC[C@H](C(=O)Nc1nccs1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000244794556 571116490 /nfs/dbraw/zinc/11/64/90/571116490.db2.gz QOVPUCBYEDEISZ-CQSZACIVSA-N 1 1 351.520 1.620 50 0 FDAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000244882687 571119142 /nfs/dbraw/zinc/11/91/42/571119142.db2.gz XWPCHTTYSUVXRU-LLVKDONJSA-N 1 1 356.455 1.881 50 0 FDAAMO COc1ccc(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cc1 ZINC000426380155 571133854 /nfs/dbraw/zinc/13/38/54/571133854.db2.gz SJERIXOLIIAJGN-CQSZACIVSA-N 1 1 356.426 1.782 50 0 FDAAMO Cc1cc(=O)n(CC[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(=O)[nH]1 ZINC000253536837 571137701 /nfs/dbraw/zinc/13/77/01/571137701.db2.gz PODULCXEMCRVSX-MRXNPFEDSA-N 1 1 353.426 1.981 50 0 FDAAMO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)c(=O)[nH]1 ZINC000253536837 571137702 /nfs/dbraw/zinc/13/77/02/571137702.db2.gz PODULCXEMCRVSX-MRXNPFEDSA-N 1 1 353.426 1.981 50 0 FDAAMO C[N@H+]1CC[C@@](C)(CNC(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1 ZINC000426399367 571220261 /nfs/dbraw/zinc/22/02/61/571220261.db2.gz HLWJKKDVLDUVDZ-FQEVSTJZSA-N 1 1 358.486 1.425 50 0 FDAAMO CCc1cc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)[nH]n1 ZINC000426445174 571226131 /nfs/dbraw/zinc/22/61/31/571226131.db2.gz WFCVWENTKFPCCN-OAHLLOKOSA-N 1 1 373.505 1.312 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)CC1 ZINC000426494717 571228460 /nfs/dbraw/zinc/22/84/60/571228460.db2.gz YPNNITBHWSFMGG-UHFFFAOYSA-N 1 1 363.437 1.074 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000426544437 571230950 /nfs/dbraw/zinc/23/09/50/571230950.db2.gz QIDAGKXCXWIFPC-INIZCTEOSA-N 1 1 359.474 1.744 50 0 FDAAMO Cc1nc(CSc2nnc(C3CC[NH2+]CC3)n2C[C@H]2CCCO2)n[nH]1 ZINC000426544439 571230986 /nfs/dbraw/zinc/23/09/86/571230986.db2.gz QKFVIUPCWJEWPV-CYBMUJFWSA-N 1 1 363.491 1.643 50 0 FDAAMO Cc1nnc(SCC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)o1 ZINC000426690541 571235393 /nfs/dbraw/zinc/23/53/93/571235393.db2.gz GUHKXMVHHJFYOS-UHFFFAOYSA-N 1 1 358.467 1.782 50 0 FDAAMO O=C(Cc1cccs1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670441994 571349240 /nfs/dbraw/zinc/34/92/40/571349240.db2.gz AFAFAIDTHLUJSV-WJAMPBCPSA-N 1 1 367.518 1.974 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)C1CCOCC1 ZINC000670448760 571351728 /nfs/dbraw/zinc/35/17/28/571351728.db2.gz XORNRANGEALGKA-MOMVYJMYSA-N 1 1 355.482 1.097 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000670451847 571352574 /nfs/dbraw/zinc/35/25/74/571352574.db2.gz KUIRMDBOLCEGDW-INIZCTEOSA-N 1 1 358.442 1.776 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNS(=O)(=O)c1cc(C(N)=O)cs1 ZINC000670469153 571359353 /nfs/dbraw/zinc/35/93/53/571359353.db2.gz GJWKLENYKIEGDO-UHFFFAOYSA-N 1 1 356.473 1.536 50 0 FDAAMO CC(C)[NH+]1CCN(CCCn2c3ccccc3nc2S(C)(=O)=O)CC1 ZINC000298223531 676442821 /nfs/dbraw/zinc/44/28/21/676442821.db2.gz HPPJFUWYXOZSGK-UHFFFAOYSA-N 1 1 364.515 1.856 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)N1CCN(c2nccnc2C#N)CC1)[NH+](C)C ZINC000065365971 775446388 /nfs/dbraw/zinc/44/63/88/775446388.db2.gz IJGQOLZCVQEVIL-SFHVURJKSA-N 1 1 364.453 1.608 50 0 FDAAMO CNC(=O)Cn1cc(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cn1 ZINC000195180852 791627448 /nfs/dbraw/zinc/62/74/48/791627448.db2.gz HNOYPGZDEFEYCV-GOSISDBHSA-N 1 1 367.453 1.720 50 0 FDAAMO CC(C)=CC(=O)N1CC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000019743812 792326986 /nfs/dbraw/zinc/32/69/86/792326986.db2.gz SIMCYBDWKOEGCM-RTBURBONSA-N 1 1 361.461 1.876 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc4n(n3)CCCNC4=O)C2)n1 ZINC000675009546 795202066 /nfs/dbraw/zinc/20/20/66/795202066.db2.gz YIPNSKWGSZWYMP-CQSZACIVSA-N 1 1 355.442 1.800 50 0 FDAAMO COc1cccc(CN2CCC3(C[C@@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)n1 ZINC000675010951 795211456 /nfs/dbraw/zinc/21/14/56/795211456.db2.gz OAJPKGJLRARSMS-SFHVURJKSA-N 1 1 372.513 1.999 50 0 FDAAMO COc1cccc(CN2CCC3(C[C@@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)n1 ZINC000675010951 795211461 /nfs/dbraw/zinc/21/14/61/795211461.db2.gz OAJPKGJLRARSMS-SFHVURJKSA-N 1 1 372.513 1.999 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)[C@H]1CCCCc2nn(CC(C)C)c(=O)n21 ZINC000675012228 795213848 /nfs/dbraw/zinc/21/38/48/795213848.db2.gz GAUJNMITNLTFMX-OAHLLOKOSA-N 1 1 360.462 1.290 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1ccc(C)s1)CC2 ZINC000675020663 795239699 /nfs/dbraw/zinc/23/96/99/795239699.db2.gz FMVCZQBOILRALG-ZBFHGGJFSA-N 1 1 358.529 1.786 50 0 FDAAMO COc1ccc(C(=O)N2CCC(c3[nH+]cc(C)n3CCO)CC2)c(OC)n1 ZINC000675020895 795240496 /nfs/dbraw/zinc/24/04/96/795240496.db2.gz WGUPKMSOSJNILN-UHFFFAOYSA-N 1 1 374.441 1.616 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000253412788 856256675 /nfs/dbraw/zinc/25/66/75/856256675.db2.gz SAMVTCKARCWUCS-DLBZAZTESA-N 1 1 354.406 1.638 50 0 FDAAMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)Cn1c3ccccc3oc1=O)CC2 ZINC000169788747 864519596 /nfs/dbraw/zinc/51/95/96/864519596.db2.gz VQEZNXWLHQQHFE-OAHLLOKOSA-N 1 1 373.453 1.411 50 0 FDAAMO CCN1CCC([NH+]2CCC3(CN(c4ccncn4)C[C@@H]3CO)CC2)CC1 ZINC000169789722 864521061 /nfs/dbraw/zinc/52/10/61/864521061.db2.gz KLKDGUICQSBAQI-QGZVFWFLSA-N 1 1 359.518 1.472 50 0 FDAAMO COc1ccccc1CN1C(=O)O[C@@H]2C[N@H+](CCCn3cccn3)C[C@@H]21 ZINC000012302871 877944217 /nfs/dbraw/zinc/94/42/17/877944217.db2.gz FUVSUTUZGNHAMZ-FUHWJXTLSA-N 1 1 356.426 1.987 50 0 FDAAMO Cc1cn2c(ncc(C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)c2=O)s1 ZINC000678481911 877958292 /nfs/dbraw/zinc/95/82/92/877958292.db2.gz TUKMBFSRUSDNND-UHFFFAOYSA-N 1 1 369.450 1.730 50 0 FDAAMO COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]([NH3+])[C@@H](C)O)CC2)c1 ZINC000067947015 888743515 /nfs/dbraw/zinc/74/35/15/888743515.db2.gz UMOYMPIHARIGGZ-PXAZEXFGSA-N 1 1 358.442 1.499 50 0 FDAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+]([C@H]1CCSC1)CC2 ZINC000064167385 901870751 /nfs/dbraw/zinc/87/07/51/901870751.db2.gz SVJWXKXWFWTTSC-INIZCTEOSA-N 1 1 371.510 1.501 50 0 FDAAMO Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000821319139 919708076 /nfs/dbraw/zinc/70/80/76/919708076.db2.gz DSHNDRCUHYEJAK-UHFFFAOYSA-N 1 1 360.502 1.957 50 0 FDAAMO COC1CCN(S(=O)(=O)NCC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000824300260 922920749 /nfs/dbraw/zinc/92/07/49/922920749.db2.gz DEKUIEJCIWXNBY-INIZCTEOSA-N 1 1 361.552 1.832 50 0 FDAAMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)nc(C)n1 ZINC000828827025 924944325 /nfs/dbraw/zinc/94/43/25/924944325.db2.gz MAMICIOKIMNLCK-HNNXBMFYSA-N 1 1 358.442 1.821 50 0 FDAAMO COCC[N@@H+]1CCOC[C@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C[C@H]21 ZINC000581781977 927575095 /nfs/dbraw/zinc/57/50/95/927575095.db2.gz SAGUCQXQHUEZIP-NVXWUHKLSA-N 1 1 366.433 1.644 50 0 FDAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)c3ccc(OC)c(F)c3)C[C@H]21 ZINC000581781977 927575106 /nfs/dbraw/zinc/57/51/06/927575106.db2.gz SAGUCQXQHUEZIP-NVXWUHKLSA-N 1 1 366.433 1.644 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1ccccn1)CC2 ZINC000581802534 927588411 /nfs/dbraw/zinc/58/84/11/927588411.db2.gz JWNRBSIASFRDCU-KRWDZBQOSA-N 1 1 358.486 1.340 50 0 FDAAMO Cc1ccc(C(=O)N2CCC3(C[C@@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cn1 ZINC000581802746 927588649 /nfs/dbraw/zinc/58/86/49/927588649.db2.gz NKWCNUAZBJHCJJ-IBGZPJMESA-N 1 1 372.513 1.649 50 0 FDAAMO C[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC(=O)NC3(C)C)cc2F)CC1 ZINC000585080445 943764398 /nfs/dbraw/zinc/76/43/98/943764398.db2.gz TVHLQYBQIYRRAE-INIZCTEOSA-N 1 1 362.449 1.365 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000952963481 960246791 /nfs/dbraw/zinc/24/67/91/960246791.db2.gz KKJWZNLJECNIPJ-TZMCWYRMSA-N 1 1 373.375 1.052 50 0 FDAAMO CCc1ncnc(N2CCC3(CC2)C[N@@H+](C[C@H]2CCOC2)CCO3)c1F ZINC000952977391 960275290 /nfs/dbraw/zinc/27/52/90/960275290.db2.gz QGMDGTRCIVSHPV-OAHLLOKOSA-N 1 1 364.465 1.886 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000952989042 960312640 /nfs/dbraw/zinc/31/26/40/960312640.db2.gz GVPLYKSIFWHZRK-ZWKOTPCHSA-N 1 1 358.486 1.137 50 0 FDAAMO CCNC(=O)c1cc(NC(=O)C2CC[NH+](CC(N)=O)CC2)ccc1Cl ZINC000952991112 960330406 /nfs/dbraw/zinc/33/04/06/960330406.db2.gz YGEPGJWLCMAOJJ-UHFFFAOYSA-N 1 1 366.849 1.226 50 0 FDAAMO O=C(C1CCC1)N1CCn2nc(CNc3[nH+]cnc4[nH]ccc43)cc2C1 ZINC000299792233 210034568 /nfs/dbraw/zinc/03/45/68/210034568.db2.gz DQOFBAKSGGIWAJ-UHFFFAOYSA-N 1 1 351.414 1.909 50 0 FDAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)[C@H]2C1 ZINC000299784502 210027324 /nfs/dbraw/zinc/02/73/24/210027324.db2.gz XQVPGYRUHLHZEO-SIXWZSSISA-N 1 1 359.426 1.559 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1 ZINC000299781188 210025661 /nfs/dbraw/zinc/02/56/61/210025661.db2.gz UHADQLHXBFZCPO-BHYGNILZSA-N 1 1 354.472 1.099 50 0 FDAAMO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)Nc2cccc3n[nH]nc32)CC1 ZINC000299770636 210016260 /nfs/dbraw/zinc/01/62/60/210016260.db2.gz XKPLHWTYANTFJA-HNNXBMFYSA-N 1 1 371.489 1.982 50 0 FDAAMO Cc1ccsc1CN(C)C(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000299770125 210016153 /nfs/dbraw/zinc/01/61/53/210016153.db2.gz QNPNMDZNLHYDOD-OAHLLOKOSA-N 1 1 370.540 1.914 50 0 FDAAMO CC[N@H+]1CCC[C@H](CN2CCn3nc(CNc4cnccn4)cc3C2)C1 ZINC000299767656 210015267 /nfs/dbraw/zinc/01/52/67/210015267.db2.gz JFFQKWJKXQYNDG-INIZCTEOSA-N 1 1 355.490 1.833 50 0 FDAAMO CCCn1cc(CNC(=O)c2cccc(-c3cc(NC)nc(N)[nH+]3)c2)cn1 ZINC000534634222 540392479 /nfs/dbraw/zinc/39/24/79/540392479.db2.gz XKCSTFGRFGRGRJ-UHFFFAOYSA-N 1 1 365.441 1.726 50 0 FDAAMO C[C@@H](CCNC(=O)c1cccc(-c2ccc(=O)n(C)n2)c1)[NH+]1CCOCC1 ZINC000534636241 540393236 /nfs/dbraw/zinc/39/32/36/540393236.db2.gz REAZTSNHBCYJRT-HNNXBMFYSA-N 1 1 370.453 1.288 50 0 FDAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000534661947 540396421 /nfs/dbraw/zinc/39/64/21/540396421.db2.gz SOSSSUHDGPEPRG-HNNXBMFYSA-N 1 1 373.457 1.582 50 0 FDAAMO Cn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C=O)CC2)CC1 ZINC000261490830 223074592 /nfs/dbraw/zinc/07/45/92/223074592.db2.gz HAKBVBBZRFYGOR-UHFFFAOYSA-N 1 1 369.469 1.086 50 0 FDAAMO Cc1onc2c1c(C)nn(CC(=O)NCC[N@H+](C)Cc1ccccc1)c2=O ZINC000064842278 212047315 /nfs/dbraw/zinc/04/73/15/212047315.db2.gz LPTVBAWTMVPCQV-UHFFFAOYSA-N 1 1 369.425 1.250 50 0 FDAAMO COc1cccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](C)CC2)c1 ZINC000064836189 212045086 /nfs/dbraw/zinc/04/50/86/212045086.db2.gz MNQGYGQFXCIPSB-UHFFFAOYSA-N 1 1 367.409 1.282 50 0 FDAAMO CN(Cc1nc(-c2ccccn2)no1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063885165 212035423 /nfs/dbraw/zinc/03/54/23/212035423.db2.gz PKIZRAANOILWSP-VQIMIIECSA-N 1 1 357.458 1.943 50 0 FDAAMO CC(C)[C@@H](C(=O)NCCC(=O)Nc1ccccn1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058341496 212004321 /nfs/dbraw/zinc/00/43/21/212004321.db2.gz OTWLHXKMWPPDSM-RKVPGOIHSA-N 1 1 362.474 1.660 50 0 FDAAMO Cn1cc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC000046971525 211844189 /nfs/dbraw/zinc/84/41/89/211844189.db2.gz PSRGORKWXOJKBS-UHFFFAOYSA-N 1 1 368.481 1.805 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000014196923 220115724 /nfs/dbraw/zinc/11/57/24/220115724.db2.gz ZMJUAPUAERVZKR-UHFFFAOYSA-N 1 1 373.478 1.664 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000014196923 220115726 /nfs/dbraw/zinc/11/57/26/220115726.db2.gz ZMJUAPUAERVZKR-UHFFFAOYSA-N 1 1 373.478 1.664 50 0 FDAAMO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)no1 ZINC000017025619 220200828 /nfs/dbraw/zinc/20/08/28/220200828.db2.gz DIAKJCYPAPFEPL-INIZCTEOSA-N 1 1 372.425 1.501 50 0 FDAAMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)no1 ZINC000017025619 220200833 /nfs/dbraw/zinc/20/08/33/220200833.db2.gz DIAKJCYPAPFEPL-INIZCTEOSA-N 1 1 372.425 1.501 50 0 FDAAMO CCCn1nc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)ccc1=O ZINC000022923727 211371525 /nfs/dbraw/zinc/37/15/25/211371525.db2.gz DXLKKQXEEIPYLV-UHFFFAOYSA-N 1 1 362.474 1.418 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)CC1 ZINC000022852456 211365018 /nfs/dbraw/zinc/36/50/18/211365018.db2.gz QVKSNWXLXGRJHN-QGZVFWFLSA-N 1 1 351.516 1.628 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)CC1 ZINC000022852456 211365022 /nfs/dbraw/zinc/36/50/22/211365022.db2.gz QVKSNWXLXGRJHN-QGZVFWFLSA-N 1 1 351.516 1.628 50 0 FDAAMO CC(=O)N1CCC(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)CC1 ZINC000022852456 211365028 /nfs/dbraw/zinc/36/50/28/211365028.db2.gz QVKSNWXLXGRJHN-QGZVFWFLSA-N 1 1 351.516 1.628 50 0 FDAAMO CC[N@@H+]1CCc2nc(NC(=O)Cn3nnc4ccccc4c3=O)sc2C1 ZINC000021296214 211310795 /nfs/dbraw/zinc/31/07/95/211310795.db2.gz VYAVKKMZHPPJDS-UHFFFAOYSA-N 1 1 370.438 1.265 50 0 FDAAMO CC[N@H+]1CCc2nc(NC(=O)Cn3nnc4ccccc4c3=O)sc2C1 ZINC000021296214 211310799 /nfs/dbraw/zinc/31/07/99/211310799.db2.gz VYAVKKMZHPPJDS-UHFFFAOYSA-N 1 1 370.438 1.265 50 0 FDAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H](CC)N1c2cc(C)nn2CCC1=O ZINC000020943614 211301814 /nfs/dbraw/zinc/30/18/14/211301814.db2.gz LHAKYLOWSONSJD-INIZCTEOSA-N 1 1 363.506 1.945 50 0 FDAAMO O=C(c1cc(F)ccc1-n1cnnn1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020676856 211293463 /nfs/dbraw/zinc/29/34/63/211293463.db2.gz QRSNFPQPDLBGAX-UHFFFAOYSA-N 1 1 366.400 1.759 50 0 FDAAMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1cccc(Br)c1 ZINC000020130106 211268640 /nfs/dbraw/zinc/26/86/40/211268640.db2.gz UDMXGQXFCFWIJK-UHFFFAOYSA-N 1 1 356.264 1.388 50 0 FDAAMO Cc1ccc2c(CC(=O)N3CCC[C@@H]([NH+]4CCOCC4)C3)cc(=O)oc2c1 ZINC000019740280 211252082 /nfs/dbraw/zinc/25/20/82/211252082.db2.gz SFLHZYBLLWNBOM-QGZVFWFLSA-N 1 1 370.449 1.967 50 0 FDAAMO O[C@@H]1C[N@@H+](C2CCOCC2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 ZINC000019835616 211257990 /nfs/dbraw/zinc/25/79/90/211257990.db2.gz IXYUHMYKDWZKTE-FGZHOGPDSA-N 1 1 373.541 1.461 50 0 FDAAMO O[C@@H]1C[N@H+](C2CCOCC2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 ZINC000019835616 211257993 /nfs/dbraw/zinc/25/79/93/211257993.db2.gz IXYUHMYKDWZKTE-FGZHOGPDSA-N 1 1 373.541 1.461 50 0 FDAAMO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708577 211198258 /nfs/dbraw/zinc/19/82/58/211198258.db2.gz HRFSKVBKHYEOIQ-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708577 211198262 /nfs/dbraw/zinc/19/82/62/211198262.db2.gz HRFSKVBKHYEOIQ-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000018179830 211193890 /nfs/dbraw/zinc/19/38/90/211193890.db2.gz OKNOZPSTYGHIIC-QGZVFWFLSA-N 1 1 351.406 1.669 50 0 FDAAMO COCCN1C[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)CCC1=O ZINC000015068185 211116693 /nfs/dbraw/zinc/11/66/93/211116693.db2.gz ZZUVVMLIHXOQPB-QGZVFWFLSA-N 1 1 370.453 1.682 50 0 FDAAMO Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1 ZINC000015001371 211112356 /nfs/dbraw/zinc/11/23/56/211112356.db2.gz FECPVJBJQWQJDV-SFHVURJKSA-N 1 1 371.485 1.844 50 0 FDAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CC[C@@H](N4CCOCC4)[C@H](O)C3)c2)n1 ZINC000014968707 211109272 /nfs/dbraw/zinc/10/92/72/211109272.db2.gz NJTISYAKIRGHAM-NHCUHLMSSA-N 1 1 370.497 1.757 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](C/C=C/c1ccccc1)CC2)C1CC1 ZINC000014882863 211104083 /nfs/dbraw/zinc/10/40/83/211104083.db2.gz PZALONUCVKXAMR-QPJJXVBHSA-N 1 1 351.454 1.876 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000014187350 211083959 /nfs/dbraw/zinc/08/39/59/211083959.db2.gz SWXCQUHFMXTVCG-BETUJISGSA-N 1 1 351.472 1.201 50 0 FDAAMO C[C@H](SC1=NN/C(=C2\C=c3ccccc3=[NH+]2)N1c1ccccc1)C(N)=O ZINC000006589023 210680043 /nfs/dbraw/zinc/68/00/43/210680043.db2.gz VZLDQDSZUGSXCK-UFZXGQNFSA-N 1 1 363.446 1.257 50 0 FDAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC000010331129 210356115 /nfs/dbraw/zinc/35/61/15/210356115.db2.gz SQZHDYCKPTWQTE-CYBMUJFWSA-N 1 1 361.398 1.654 50 0 FDAAMO COc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1Br ZINC000022108578 220377197 /nfs/dbraw/zinc/37/71/97/220377197.db2.gz MWYVFCIUJBGGQL-UHFFFAOYSA-N 1 1 357.248 1.910 50 0 FDAAMO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2ccccc21 ZINC000058279935 221112270 /nfs/dbraw/zinc/11/22/70/221112270.db2.gz IGUHIUGNJFAYAJ-KRWDZBQOSA-N 1 1 359.451 1.892 50 0 FDAAMO Cc1cccc(S(=O)(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)c1 ZINC000065362494 221202604 /nfs/dbraw/zinc/20/26/04/221202604.db2.gz QRQSQHOEQUUAIF-UHFFFAOYSA-N 1 1 372.454 1.670 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000065362360 221202661 /nfs/dbraw/zinc/20/26/61/221202661.db2.gz OALRNNOGMITALZ-MRXNPFEDSA-N 1 1 353.488 1.314 50 0 FDAAMO O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cc2n(n1)CC[NH2+]C2 ZINC000065370629 221204737 /nfs/dbraw/zinc/20/47/37/221204737.db2.gz YJODJVVGUQLXBM-UHFFFAOYSA-N 1 1 374.489 1.223 50 0 FDAAMO NC(=O)c1csc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)n1 ZINC000065398582 221212127 /nfs/dbraw/zinc/21/21/27/221212127.db2.gz FREKDIKKZLYIEI-UHFFFAOYSA-N 1 1 368.466 1.750 50 0 FDAAMO CCn1ncnc1NC(=O)c1ccc(C[N@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000065426638 221217603 /nfs/dbraw/zinc/21/76/03/221217603.db2.gz SOCJRLRHVNOXTL-MRXNPFEDSA-N 1 1 356.430 1.261 50 0 FDAAMO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(O)(Cn3ccnc3)CC2)cc1 ZINC000065459809 221222268 /nfs/dbraw/zinc/22/22/68/221222268.db2.gz PLAQGNWBIYJOBO-KRWDZBQOSA-N 1 1 356.470 1.896 50 0 FDAAMO Cc1nccn1[C@@H](C)C(=O)NCc1cccnc1N1CCC[N@@H+](C)CC1 ZINC000067446714 221254830 /nfs/dbraw/zinc/25/48/30/221254830.db2.gz ZZVDILYDCJZOBG-HNNXBMFYSA-N 1 1 356.474 1.606 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000067613272 221262210 /nfs/dbraw/zinc/26/22/10/221262210.db2.gz CUZGROIYTOZHCT-CYBMUJFWSA-N 1 1 357.451 1.144 50 0 FDAAMO N[C@H]1C[NH2+][C@H](C(=O)N(CCc2c[nH]c3ccccc23)Cc2cccnc2)C1 ZINC000067803857 221287713 /nfs/dbraw/zinc/28/77/13/221287713.db2.gz OXJNZRPCLIEATA-XLIONFOSSA-N 1 1 363.465 1.823 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)NC[C@@H](O)c3ccccc3)no2)CC1 ZINC000067772306 221283387 /nfs/dbraw/zinc/28/33/87/221283387.db2.gz UDQORUROLUOMDK-GOSISDBHSA-N 1 1 358.442 1.276 50 0 FDAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C1 ZINC000067803322 221287314 /nfs/dbraw/zinc/28/73/14/221287314.db2.gz ZSFNDSCWBBEDSQ-GFCCVEGCSA-N 1 1 359.426 1.503 50 0 FDAAMO CC[NH+]1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067834440 221292312 /nfs/dbraw/zinc/29/23/12/221292312.db2.gz MTCQAVKWWPJFKJ-OAQYLSRUSA-N 1 1 359.514 1.610 50 0 FDAAMO CCc1ccccc1C[N@@H+]1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1 ZINC000067847007 221294068 /nfs/dbraw/zinc/29/40/68/221294068.db2.gz PUUFEOZLEBPLNS-VQTJNVASSA-N 1 1 373.497 1.976 50 0 FDAAMO CCc1ccccc1C[N@H+]1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1 ZINC000067847007 221294072 /nfs/dbraw/zinc/29/40/72/221294072.db2.gz PUUFEOZLEBPLNS-VQTJNVASSA-N 1 1 373.497 1.976 50 0 FDAAMO CCOCCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071498624 221349901 /nfs/dbraw/zinc/34/99/01/221349901.db2.gz WNFODZKISPCRLF-LJQANCHMSA-N 1 1 374.529 1.911 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000071745425 221358211 /nfs/dbraw/zinc/35/82/11/221358211.db2.gz WQWAPRMBDQAGQB-OAHLLOKOSA-N 1 1 362.474 1.094 50 0 FDAAMO Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071746171 221358713 /nfs/dbraw/zinc/35/87/13/221358713.db2.gz YNBYEQPAKLGYCM-CQSZACIVSA-N 1 1 360.458 1.578 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2nc(C(C)C)no2)[nH]1 ZINC000071747236 221359940 /nfs/dbraw/zinc/35/99/40/221359940.db2.gz RWAITTFRTSFALY-STQMWFEESA-N 1 1 360.462 1.749 50 0 FDAAMO Cn1cc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071752174 221363304 /nfs/dbraw/zinc/36/33/04/221363304.db2.gz HKIXEFRHKNKDCM-GOSISDBHSA-N 1 1 359.518 1.719 50 0 FDAAMO O=C1N(CCO)CCC[C@]12CC[N@H+](C1CCN(c3ccccc3)CC1)C2 ZINC000091254833 132200975 /nfs/dbraw/zinc/20/09/75/132200975.db2.gz IBNAZYFYSRBCIC-OAQYLSRUSA-N 1 1 357.498 1.962 50 0 FDAAMO CC(C)C[C@H](O)C1CCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)CC1 ZINC000095515249 132213619 /nfs/dbraw/zinc/21/36/19/132213619.db2.gz UVAAROKEJQHBPE-INIZCTEOSA-N 1 1 362.522 1.434 50 0 FDAAMO Cc1cc(C)n(CCC[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)n1 ZINC000095528392 132214869 /nfs/dbraw/zinc/21/48/69/132214869.db2.gz HDDKORAKALMETQ-UHFFFAOYSA-N 1 1 354.462 1.815 50 0 FDAAMO COc1cc(F)ccc1N1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000237184837 132246726 /nfs/dbraw/zinc/24/67/26/132246726.db2.gz SDRARYDFHGZEOX-UHFFFAOYSA-N 1 1 350.419 1.712 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3ncnc4onc(C)c43)C[C@H]2CCO)o1 ZINC000106953880 132266111 /nfs/dbraw/zinc/26/61/11/132266111.db2.gz XCTRFIPNAPQWLE-CQSZACIVSA-N 1 1 357.414 1.901 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4onc(C)c43)C[C@H]2CCO)o1 ZINC000106953880 132266112 /nfs/dbraw/zinc/26/61/12/132266112.db2.gz XCTRFIPNAPQWLE-CQSZACIVSA-N 1 1 357.414 1.901 50 0 FDAAMO Cc1cc(N2CCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000244840208 132291377 /nfs/dbraw/zinc/29/13/77/132291377.db2.gz UITJWGNWOWYJSU-INIZCTEOSA-N 1 1 368.485 1.757 50 0 FDAAMO COc1ccc(-c2noc(-c3ccc(N4CC[NH+](C)CC4)nn3)n2)cc1 ZINC000064837965 136133986 /nfs/dbraw/zinc/13/39/86/136133986.db2.gz XJPLBVXJQJJWTQ-UHFFFAOYSA-N 1 1 352.398 1.954 50 0 FDAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000065226905 136135389 /nfs/dbraw/zinc/13/53/89/136135389.db2.gz BHGUROWWFRPYNM-UHFFFAOYSA-N 1 1 372.517 1.457 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000067674671 136137415 /nfs/dbraw/zinc/13/74/15/136137415.db2.gz SZOVEICJZGGCAX-HNNXBMFYSA-N 1 1 369.473 1.280 50 0 FDAAMO CC(C)c1nc(CNC(=O)c2ccc(N3CC[N@@H+](C)[C@H](C)C3)nc2)no1 ZINC000071315316 136138884 /nfs/dbraw/zinc/13/88/84/136138884.db2.gz FGNRULMOWMJZAO-CYBMUJFWSA-N 1 1 358.446 1.658 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3ccnc(C)n3)CC2)C1 ZINC000071614967 136139699 /nfs/dbraw/zinc/13/96/99/136139699.db2.gz QFCYMRGBGTVUGL-INIZCTEOSA-N 1 1 361.490 1.228 50 0 FDAAMO CNc1cc[nH+]c(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 ZINC000071714510 136139888 /nfs/dbraw/zinc/13/98/88/136139888.db2.gz PEKBEGFXYBCUER-UHFFFAOYSA-N 1 1 365.441 1.835 50 0 FDAAMO COCc1nc2c(cnn2C)c(N2CCN(c3[nH+]cccc3C)CC2)n1 ZINC000072163160 136143322 /nfs/dbraw/zinc/14/33/22/136143322.db2.gz JMAXMOCKRSYOBL-UHFFFAOYSA-N 1 1 353.430 1.540 50 0 FDAAMO O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000091807084 221800277 /nfs/dbraw/zinc/80/02/77/221800277.db2.gz UATJQWGUGLMQCR-QGZVFWFLSA-N 1 1 364.405 1.530 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc3cccnc3c2)C1 ZINC000096131480 222036608 /nfs/dbraw/zinc/03/66/08/222036608.db2.gz QSEAKACEUHHVGG-OAHLLOKOSA-N 1 1 355.442 1.944 50 0 FDAAMO COc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000096133155 222038859 /nfs/dbraw/zinc/03/88/59/222038859.db2.gz VJWVNOCSERXVBE-HNNXBMFYSA-N 1 1 371.437 1.882 50 0 FDAAMO Cc1ccc([C@@H]([NH2+][C@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000097019962 222152483 /nfs/dbraw/zinc/15/24/83/222152483.db2.gz BFIQOWGZHOQVOU-ZWKOTPCHSA-N 1 1 358.463 1.966 50 0 FDAAMO OC[C@@H]1CN(Cc2c[nH]cn2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097601060 222196620 /nfs/dbraw/zinc/19/66/20/222196620.db2.gz WWBKNPZGYVDUBE-SFHVURJKSA-N 1 1 372.517 1.593 50 0 FDAAMO Cc1cc(C(=O)N(C)C)ccc1NC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000097694818 222205645 /nfs/dbraw/zinc/20/56/45/222205645.db2.gz RFLCDKKCXNWRIP-UHFFFAOYSA-N 1 1 361.490 1.456 50 0 FDAAMO COc1cccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)o2)c1 ZINC000097698609 222205782 /nfs/dbraw/zinc/20/57/82/222205782.db2.gz CUCPRBOVHHOXEW-OAHLLOKOSA-N 1 1 371.437 1.882 50 0 FDAAMO O=C(c1ccn2nnnc2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000097772822 222211890 /nfs/dbraw/zinc/21/18/90/222211890.db2.gz QJKOFHOHAARIMS-UHFFFAOYSA-N 1 1 364.453 1.905 50 0 FDAAMO CC(C)=CCN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000097784744 222212501 /nfs/dbraw/zinc/21/25/01/222212501.db2.gz SBTAVMIQNOJLRY-KRWDZBQOSA-N 1 1 357.502 1.804 50 0 FDAAMO Cc1[nH+]ccn1CCCn1c(SCC(N)=O)nc2c(c1=O)CCCC2 ZINC000000988130 518224409 /nfs/dbraw/zinc/22/44/09/518224409.db2.gz JMTGDYBCDQEHEM-UHFFFAOYSA-N 1 1 361.471 1.295 50 0 FDAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1I ZINC000001003789 518226107 /nfs/dbraw/zinc/22/61/07/518226107.db2.gz UXFYYXSSPZKJHU-UHFFFAOYSA-N 1 1 360.195 1.687 50 0 FDAAMO O=C1NCCN1CC[N@H+](C[C@H](O)c1ccccc1)C[C@@H](O)c1ccccc1 ZINC000004324735 518294942 /nfs/dbraw/zinc/29/49/42/518294942.db2.gz PMAXVTXGRFLVMC-BGYRXZFFSA-N 1 1 369.465 1.781 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCNc1nc(Cl)nc2nc[nH]c21 ZINC000009420978 518506907 /nfs/dbraw/zinc/50/69/07/518506907.db2.gz QSAQCIMMGQNKCB-JTQLQIEISA-N 1 1 351.842 1.409 50 0 FDAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009725177 518512868 /nfs/dbraw/zinc/51/28/68/518512868.db2.gz VWHBBNYZHLFHNZ-LSDHHAIUSA-N 1 1 362.474 1.784 50 0 FDAAMO Cc1cc(C(=O)NCc2cccnc2N2CCC[N@H+](C)CC2)c(=O)[nH]c1C ZINC000011661060 518567230 /nfs/dbraw/zinc/56/72/30/518567230.db2.gz UWAQXGOHCOUVNV-UHFFFAOYSA-N 1 1 369.469 1.459 50 0 FDAAMO COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccn1C)[NH+](C)C ZINC000011898979 518578579 /nfs/dbraw/zinc/57/85/79/518578579.db2.gz WQQFGMMPMOKLRV-MRXNPFEDSA-N 1 1 358.442 1.069 50 0 FDAAMO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1cn2c(n1)SCC2 ZINC000012305198 518602517 /nfs/dbraw/zinc/60/25/17/518602517.db2.gz JWBJEOJPMFVIPJ-KRWDZBQOSA-N 1 1 350.488 1.232 50 0 FDAAMO Cn1cnnc1SCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000013004737 518646949 /nfs/dbraw/zinc/64/69/49/518646949.db2.gz CPFCGQYYKOMIIA-UHFFFAOYSA-N 1 1 353.492 1.059 50 0 FDAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)NC4CCCCC4)n3n2)CC1 ZINC000015678745 518732274 /nfs/dbraw/zinc/73/22/74/518732274.db2.gz WDPBXEGVVBMSCY-UHFFFAOYSA-N 1 1 371.489 1.258 50 0 FDAAMO Cc1cccc(-c2nc3nc(C)cc(N4CC[NH+](CCO)CC4)n3n2)c1 ZINC000021173786 518866246 /nfs/dbraw/zinc/86/62/46/518866246.db2.gz MBSLRTZZGYLTEB-UHFFFAOYSA-N 1 1 352.442 1.522 50 0 FDAAMO COc1cc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc(OC)c1 ZINC000021637879 518878643 /nfs/dbraw/zinc/87/86/43/518878643.db2.gz OKWPWJKBCLLOQP-UHFFFAOYSA-N 1 1 371.441 1.806 50 0 FDAAMO C[N@H+]1CCC[C@@H](CN2CCN(c3c4c(nc5ncnn53)CCCC4)CC2)C1 ZINC000022621105 518906142 /nfs/dbraw/zinc/90/61/42/518906142.db2.gz WBBRZDSDQGITKK-MRXNPFEDSA-N 1 1 369.517 1.467 50 0 FDAAMO COc1ccc(CNC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000025229915 519045255 /nfs/dbraw/zinc/04/52/55/519045255.db2.gz INMHGJNEQBDXEC-FUHWJXTLSA-N 1 1 363.458 1.232 50 0 FDAAMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCCO2 ZINC000025765639 519081877 /nfs/dbraw/zinc/08/18/77/519081877.db2.gz TVWUKBDRJJGUMP-UHFFFAOYSA-N 1 1 351.472 1.857 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000030697671 519388551 /nfs/dbraw/zinc/38/85/51/519388551.db2.gz VDUJEHYTFHVWKK-GOSISDBHSA-N 1 1 355.398 1.166 50 0 FDAAMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000032674823 519522699 /nfs/dbraw/zinc/52/26/99/519522699.db2.gz MMZFHNPSWQVZAD-JXFKEZNVSA-N 1 1 370.453 1.098 50 0 FDAAMO NC(=O)Nc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)sc1C(N)=O ZINC000034055196 519591193 /nfs/dbraw/zinc/59/11/93/519591193.db2.gz MOWJKFWTFZWXHW-UHFFFAOYSA-N 1 1 360.439 1.837 50 0 in-vitro FDAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000035292565 519603487 /nfs/dbraw/zinc/60/34/87/519603487.db2.gz PKPCMZGWINLNAW-XJKSGUPXSA-N 1 1 359.426 1.305 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H](C(N)=O)C3)C2=O)cc1 ZINC000035292565 519603491 /nfs/dbraw/zinc/60/34/91/519603491.db2.gz PKPCMZGWINLNAW-XJKSGUPXSA-N 1 1 359.426 1.305 50 0 FDAAMO O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035807236 519612266 /nfs/dbraw/zinc/61/22/66/519612266.db2.gz XYCMDFUIMUCXTH-ZWKOTPCHSA-N 1 1 353.422 1.601 50 0 FDAAMO COc1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000036548220 519623141 /nfs/dbraw/zinc/62/31/41/519623141.db2.gz CCOUWMFEJPMSFF-FZKQIMNGSA-N 1 1 353.422 1.853 50 0 FDAAMO CCOCC[N@@H+]1CCCn2nc(CCC(=O)N3CCC(O)CC3)cc2C1 ZINC000082166480 519912661 /nfs/dbraw/zinc/91/26/61/519912661.db2.gz AFWNFCOVAOODRT-UHFFFAOYSA-N 1 1 364.490 1.041 50 0 FDAAMO CCOCC[N@H+]1CCCn2nc(CCC(=O)N3CCC(O)CC3)cc2C1 ZINC000082166480 519912665 /nfs/dbraw/zinc/91/26/65/519912665.db2.gz AFWNFCOVAOODRT-UHFFFAOYSA-N 1 1 364.490 1.041 50 0 FDAAMO CCOC(=O)Cc1csc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)n1 ZINC000084733780 520910176 /nfs/dbraw/zinc/91/01/76/520910176.db2.gz WKDDJINQNTYCAL-ZDUSSCGKSA-N 1 1 370.475 1.169 50 0 FDAAMO CC[NH+]1CCN(C(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)CC1 ZINC000020647913 521663265 /nfs/dbraw/zinc/66/32/65/521663265.db2.gz BLQHCCRXYLAPLM-UHFFFAOYSA-N 1 1 362.426 1.679 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCNc1cccnc1 ZINC000072135284 522164098 /nfs/dbraw/zinc/16/40/98/522164098.db2.gz ZYJFJJWGVBQSSG-SFHVURJKSA-N 1 1 373.501 1.381 50 0 FDAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2nc3ncccn3n2)C1 ZINC000072148753 522173801 /nfs/dbraw/zinc/17/38/01/522173801.db2.gz VTXYJRULTMXRSK-MRXNPFEDSA-N 1 1 350.426 1.861 50 0 FDAAMO Cc1cc(F)ccc1CC(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccccn1 ZINC000072153279 522181015 /nfs/dbraw/zinc/18/10/15/522181015.db2.gz XZNGXIREEUYEHF-GOSISDBHSA-N 1 1 370.428 1.188 50 0 FDAAMO Cc1ncc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)c(-c2ccccc2)n1 ZINC000072156793 522183748 /nfs/dbraw/zinc/18/37/48/522183748.db2.gz LIUYXWJGGLFIKT-QGZVFWFLSA-N 1 1 365.437 1.145 50 0 FDAAMO Cn1ncc2c1nc(-c1cccnc1)nc2NCC[N@H+]1CCCC[C@@H]1CO ZINC000072167445 522193807 /nfs/dbraw/zinc/19/38/07/522193807.db2.gz RHTTYPWZTPTUAR-OAHLLOKOSA-N 1 1 367.457 1.684 50 0 FDAAMO CCSCC[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072409572 522238948 /nfs/dbraw/zinc/23/89/48/522238948.db2.gz DIUAAAZVDKLSLJ-HNNXBMFYSA-N 1 1 353.536 1.580 50 0 FDAAMO CN(C)Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)nc3)C2)n1C ZINC000072409042 522240128 /nfs/dbraw/zinc/24/01/28/522240128.db2.gz LBZHWUGYHIRUHC-MRXNPFEDSA-N 1 1 357.506 1.717 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN1Cc2c(cccc2C(=O)N2CCCOCC2)C1=O ZINC000072409805 522243421 /nfs/dbraw/zinc/24/34/21/522243421.db2.gz GCMAQXMTHLKCMO-INIZCTEOSA-N 1 1 371.481 1.989 50 0 FDAAMO O=C1NCCCC[C@@H]1Nc1ncnc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000072428264 522263207 /nfs/dbraw/zinc/26/32/07/522263207.db2.gz UOABOWMMKOAJPU-KRWDZBQOSA-N 1 1 355.442 1.751 50 0 FDAAMO CN(C)C(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(OCCn2ccnc2)cc1 ZINC000072428933 522264454 /nfs/dbraw/zinc/26/44/54/522264454.db2.gz FDCYFKDORGLWHY-GOSISDBHSA-N 1 1 372.469 1.641 50 0 FDAAMO CN(C)C(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(OCCn2ccnc2)cc1 ZINC000072428933 522264461 /nfs/dbraw/zinc/26/44/61/522264461.db2.gz FDCYFKDORGLWHY-GOSISDBHSA-N 1 1 372.469 1.641 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072434522 522271345 /nfs/dbraw/zinc/27/13/45/522271345.db2.gz RFMLRFMKZMHLOR-UHFFFAOYSA-N 1 1 362.437 1.787 50 0 FDAAMO O=C(c1ccc(F)c(F)c1)C1CCN(C(=O)[C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072438962 522277580 /nfs/dbraw/zinc/27/75/80/522277580.db2.gz SCZCSTWEQWODII-KRWDZBQOSA-N 1 1 374.391 1.996 50 0 FDAAMO CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3cc(C[NH+](C)C)cs3)C[C@H]2C1=O ZINC000072478186 522304383 /nfs/dbraw/zinc/30/43/83/522304383.db2.gz ZOJRLXNLTYDJGC-YOEHRIQHSA-N 1 1 351.472 1.175 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000046880374 522376263 /nfs/dbraw/zinc/37/62/63/522376263.db2.gz WSCXRCZZCYSXFP-GFCCVEGCSA-N 1 1 356.264 1.459 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)c1cccs1 ZINC000048249242 522701251 /nfs/dbraw/zinc/70/12/51/522701251.db2.gz WWXJPYXPIRXOBT-OAHLLOKOSA-N 1 1 356.451 1.877 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)Cn1ncc(=O)c2ccccc21)c1cccs1 ZINC000048249238 522701499 /nfs/dbraw/zinc/70/14/99/522701499.db2.gz WWXJPYXPIRXOBT-HNNXBMFYSA-N 1 1 356.451 1.877 50 0 FDAAMO CCc1nc(-c2cccc(NC(=O)N3CC[NH+](CCOC)CC3)c2)n[nH]1 ZINC000299785439 522719080 /nfs/dbraw/zinc/71/90/80/522719080.db2.gz ZLXCDTXFSQNOJC-UHFFFAOYSA-N 1 1 358.446 1.830 50 0 FDAAMO Cc1cn2c(nc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)cc2=O)s1 ZINC000077301873 523290147 /nfs/dbraw/zinc/29/01/47/523290147.db2.gz MWQZOJLJEGLPJY-MRXNPFEDSA-N 1 1 362.499 1.751 50 0 FDAAMO Cc1cn2c(nc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)cc2=O)s1 ZINC000077301873 523290155 /nfs/dbraw/zinc/29/01/55/523290155.db2.gz MWQZOJLJEGLPJY-MRXNPFEDSA-N 1 1 362.499 1.751 50 0 FDAAMO Cc1cn2c(nc(CN3CCCC[C@@H]3C[NH+]3CCOCC3)cc2=O)s1 ZINC000077301873 523290159 /nfs/dbraw/zinc/29/01/59/523290159.db2.gz MWQZOJLJEGLPJY-MRXNPFEDSA-N 1 1 362.499 1.751 50 0 FDAAMO COc1cccc(C(=O)N2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C)CC2)c1 ZINC000077469737 523350470 /nfs/dbraw/zinc/35/04/70/523350470.db2.gz BVPFAKMPDVFHCT-CQSZACIVSA-N 1 1 356.426 1.746 50 0 FDAAMO CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000053212464 523369206 /nfs/dbraw/zinc/36/92/06/523369206.db2.gz FHZJDMGCMKTKBT-AWEZNQCLSA-N 1 1 367.496 1.689 50 0 FDAAMO Cn1cccc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)c1=O ZINC000077553937 523382361 /nfs/dbraw/zinc/38/23/61/523382361.db2.gz XHHAWGJBQOQQGX-UHFFFAOYSA-N 1 1 369.469 1.660 50 0 FDAAMO Cc1ccc(O)c(C[NH+]2CCN(c3cc(N4CCCC4)nc(N)n3)CC2)n1 ZINC000067540055 523486621 /nfs/dbraw/zinc/48/66/21/523486621.db2.gz BRSCOBQWWRGZEL-UHFFFAOYSA-N 1 1 369.473 1.390 50 0 FDAAMO CCn1ccnc1CN1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091690804 523530446 /nfs/dbraw/zinc/53/04/46/523530446.db2.gz KMHSWKHRRBWTJF-UHFFFAOYSA-N 1 1 368.489 1.964 50 0 FDAAMO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000054146645 523579909 /nfs/dbraw/zinc/57/99/09/523579909.db2.gz NQLIFSVLQIEXJD-KRWDZBQOSA-N 1 1 367.515 1.610 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)C[C@@H]1CO ZINC000091350805 523618713 /nfs/dbraw/zinc/61/87/13/523618713.db2.gz RJBHLKGPMVNBNZ-HZPDHXFCSA-N 1 1 364.461 1.502 50 0 FDAAMO CCn1nc(C)c(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1C ZINC000082155552 523641227 /nfs/dbraw/zinc/64/12/27/523641227.db2.gz MWAMPXBNFFIWRI-UHFFFAOYSA-N 1 1 374.489 1.385 50 0 FDAAMO CCn1nc(C)c(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1C ZINC000082155552 523641234 /nfs/dbraw/zinc/64/12/34/523641234.db2.gz MWAMPXBNFFIWRI-UHFFFAOYSA-N 1 1 374.489 1.385 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CC(=O)N(c2ccccn2)C1 ZINC000079097203 523702119 /nfs/dbraw/zinc/70/21/19/523702119.db2.gz JOTNENZJJGYLEA-DLBZAZTESA-N 1 1 356.470 1.815 50 0 FDAAMO Cc1ccc2nc(CCCNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)oc2c1 ZINC000055036673 523737819 /nfs/dbraw/zinc/73/78/19/523737819.db2.gz PMHGCFKEEWNTJU-AWEZNQCLSA-N 1 1 358.442 1.382 50 0 FDAAMO CN(C)C(=O)CCN1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000083844026 523980021 /nfs/dbraw/zinc/98/00/21/523980021.db2.gz FZJJOZXUYSGHHQ-UHFFFAOYSA-N 1 1 371.485 1.765 50 0 FDAAMO COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1OC ZINC000252586603 524050915 /nfs/dbraw/zinc/05/09/15/524050915.db2.gz RHKCKTMFDARNKO-DZKIICNBSA-N 1 1 350.459 1.801 50 0 FDAAMO C[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CC[NH+](C)CC1 ZINC000082157811 524115547 /nfs/dbraw/zinc/11/55/47/524115547.db2.gz HJRZVWRUGQGIHR-QGZVFWFLSA-N 1 1 358.486 1.278 50 0 FDAAMO COc1ccc(Br)c(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000085436805 524357898 /nfs/dbraw/zinc/35/78/98/524357898.db2.gz LYCAHGMWCXBROZ-NSHDSACASA-N 1 1 357.248 1.596 50 0 FDAAMO Cc1cc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)ccc1F ZINC000091626112 524621308 /nfs/dbraw/zinc/62/13/08/524621308.db2.gz JVSKZFAWBMCVON-IAGOWNOFSA-N 1 1 350.434 1.076 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)CC1 ZINC000091586383 524731746 /nfs/dbraw/zinc/73/17/46/524731746.db2.gz PZHFIXJOIZROMF-SFHVURJKSA-N 1 1 368.485 1.873 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@](O)(CCOC)[C@H](C)C2)cc1 ZINC000091624661 524743683 /nfs/dbraw/zinc/74/36/83/524743683.db2.gz FJWSGPIPROBLEA-RHSMWYFYSA-N 1 1 356.488 1.204 50 0 FDAAMO O=C(c1cc(Cl)ccc1F)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091643428 524750777 /nfs/dbraw/zinc/75/07/77/524750777.db2.gz PTOOUKUAHXFVOO-CHWSQXEVSA-N 1 1 356.825 1.492 50 0 FDAAMO O=C(c1ccc2cccc(F)c2n1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091650704 524754922 /nfs/dbraw/zinc/75/49/22/524754922.db2.gz AMNARLFTSHQUEW-HZPDHXFCSA-N 1 1 373.428 1.387 50 0 FDAAMO Cc1nonc1CC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091713962 524766618 /nfs/dbraw/zinc/76/66/18/524766618.db2.gz WRBSXDVTUPVXPZ-UHFFFAOYSA-N 1 1 372.473 1.972 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 ZINC000091845801 524798142 /nfs/dbraw/zinc/79/81/42/524798142.db2.gz YWJNHYRIFLSPMS-MRXNPFEDSA-N 1 1 363.889 1.895 50 0 FDAAMO O=c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc2ccccn12 ZINC000091965220 524820399 /nfs/dbraw/zinc/82/03/99/524820399.db2.gz MHTMPWIIEZAHBA-NVXWUHKLSA-N 1 1 362.437 1.585 50 0 FDAAMO O=c1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)nc2ccccn12 ZINC000091965220 524820405 /nfs/dbraw/zinc/82/04/05/524820405.db2.gz MHTMPWIIEZAHBA-NVXWUHKLSA-N 1 1 362.437 1.585 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3n[nH]nc3c1)CC2 ZINC000091965742 524820431 /nfs/dbraw/zinc/82/04/31/524820431.db2.gz LKGXPNYRMINFJJ-UHFFFAOYSA-N 1 1 351.414 1.300 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2ccc(Cn3cccn3)cc2)C[C@H]1CN1CCOCC1 ZINC000091973884 524822745 /nfs/dbraw/zinc/82/27/45/524822745.db2.gz OVLQXPVMPOFXHD-NHCUHLMSSA-N 1 1 370.497 1.304 50 0 FDAAMO CCc1nc(SCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)n[nH]1 ZINC000091997097 524826395 /nfs/dbraw/zinc/82/63/95/524826395.db2.gz BDVAACBTHMEKHE-UHFFFAOYSA-N 1 1 353.492 1.030 50 0 FDAAMO CCc1n[nH]c(SCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000091997097 524826408 /nfs/dbraw/zinc/82/64/08/524826408.db2.gz BDVAACBTHMEKHE-UHFFFAOYSA-N 1 1 353.492 1.030 50 0 FDAAMO COc1cccc(-c2cc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)[nH]n2)c1 ZINC000092001991 524828659 /nfs/dbraw/zinc/82/86/59/524828659.db2.gz JSCHQSUJGRFBBC-AWEZNQCLSA-N 1 1 371.441 1.012 50 0 FDAAMO C[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000092062320 524835387 /nfs/dbraw/zinc/83/53/87/524835387.db2.gz ZLESOTQXZISDFN-NRFANRHFSA-N 1 1 371.481 1.924 50 0 FDAAMO CN1CC[N@H+](Cc2cc3ccccc3o2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000092062320 524835392 /nfs/dbraw/zinc/83/53/92/524835392.db2.gz ZLESOTQXZISDFN-NRFANRHFSA-N 1 1 371.481 1.924 50 0 FDAAMO CN1CC[N@@H+](Cc2cc3ccccc3o2)C[C@@]12CCC(=O)N(CCO)CC2 ZINC000092062320 524835395 /nfs/dbraw/zinc/83/53/95/524835395.db2.gz ZLESOTQXZISDFN-NRFANRHFSA-N 1 1 371.481 1.924 50 0 FDAAMO CS(=O)(=O)N[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]1C1CC1 ZINC000092062495 524836524 /nfs/dbraw/zinc/83/65/24/524836524.db2.gz PLBJQRYSRFVQAS-CABCVRRESA-N 1 1 352.456 1.217 50 0 FDAAMO COc1ccccc1CCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000092080778 524848084 /nfs/dbraw/zinc/84/80/84/524848084.db2.gz JCWUMCZEUQQHIQ-HXUWFJFHSA-N 1 1 359.470 1.441 50 0 FDAAMO COc1ccc(OCC(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000020454470 524933871 /nfs/dbraw/zinc/93/38/71/524933871.db2.gz RQEIMJKZQBRNQS-MRXNPFEDSA-N 1 1 361.486 1.749 50 0 FDAAMO COc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000020454470 524933879 /nfs/dbraw/zinc/93/38/79/524933879.db2.gz RQEIMJKZQBRNQS-MRXNPFEDSA-N 1 1 361.486 1.749 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1cncc(C(=O)N3CCN(C)CC3)n1)C2 ZINC000095359812 525034560 /nfs/dbraw/zinc/03/45/60/525034560.db2.gz LLCOIRLORQNGDK-IAGOWNOFSA-N 1 1 372.517 1.175 50 0 FDAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000095363308 525039179 /nfs/dbraw/zinc/03/91/79/525039179.db2.gz NILOSRHGDNMKNU-HNNXBMFYSA-N 1 1 358.486 1.729 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccc(OC(F)F)c2)C[C@]12CCNC(=O)CC2 ZINC000095365368 525039481 /nfs/dbraw/zinc/03/94/81/525039481.db2.gz HUNDCNUQHQAAKY-SFHVURJKSA-N 1 1 367.396 1.715 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccc(OC(F)F)c2)C[C@@]12CCNC(=O)CC2 ZINC000095365369 525040095 /nfs/dbraw/zinc/04/00/95/525040095.db2.gz HUNDCNUQHQAAKY-GOSISDBHSA-N 1 1 367.396 1.715 50 0 FDAAMO CN([C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000095365962 525041053 /nfs/dbraw/zinc/04/10/53/525041053.db2.gz HYOACISGOJRBJR-MRXNPFEDSA-N 1 1 365.499 1.684 50 0 FDAAMO CN([C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000095365962 525041064 /nfs/dbraw/zinc/04/10/64/525041064.db2.gz HYOACISGOJRBJR-MRXNPFEDSA-N 1 1 365.499 1.684 50 0 FDAAMO Cc1ncc(S(C)(=O)=O)c(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)n1 ZINC000095369130 525044084 /nfs/dbraw/zinc/04/40/84/525044084.db2.gz NRWYPUBBUNRBCP-HUUCEWRRSA-N 1 1 350.488 1.499 50 0 FDAAMO Cc1ncc(S(C)(=O)=O)c(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n1 ZINC000095369130 525044098 /nfs/dbraw/zinc/04/40/98/525044098.db2.gz NRWYPUBBUNRBCP-HUUCEWRRSA-N 1 1 350.488 1.499 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC000095369933 525044194 /nfs/dbraw/zinc/04/41/94/525044194.db2.gz PEVKOYFCUJGOSS-RDTXWAMCSA-N 1 1 370.852 1.911 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC000095369933 525044210 /nfs/dbraw/zinc/04/42/10/525044210.db2.gz PEVKOYFCUJGOSS-RDTXWAMCSA-N 1 1 370.852 1.911 50 0 FDAAMO Cn1ccnc1SCCNC(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095374565 525047270 /nfs/dbraw/zinc/04/72/70/525047270.db2.gz BLIQXXVIPRJJAI-AWEZNQCLSA-N 1 1 352.504 1.519 50 0 FDAAMO Cn1ccc2c1cccc2C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095383193 525056622 /nfs/dbraw/zinc/05/66/22/525056622.db2.gz CKUWXHXGNTWJIB-IAGOWNOFSA-N 1 1 370.497 1.106 50 0 FDAAMO Cc1cccc2nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](CC(=O)N(C)C)C4)cn21 ZINC000095383800 525058547 /nfs/dbraw/zinc/05/85/47/525058547.db2.gz JKVQSTBLQMBOHU-JKSUJKDBSA-N 1 1 369.469 1.267 50 0 FDAAMO Cc1cccc2nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](CC(=O)N(C)C)C4)cn21 ZINC000095383800 525058560 /nfs/dbraw/zinc/05/85/60/525058560.db2.gz JKVQSTBLQMBOHU-JKSUJKDBSA-N 1 1 369.469 1.267 50 0 FDAAMO Cc1nc(SCCNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)n[nH]1 ZINC000095385247 525061013 /nfs/dbraw/zinc/06/10/13/525061013.db2.gz XKEYTPRMSZRCHD-ZDUSSCGKSA-N 1 1 353.492 1.212 50 0 FDAAMO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)[nH]1 ZINC000095385247 525061021 /nfs/dbraw/zinc/06/10/21/525061021.db2.gz XKEYTPRMSZRCHD-ZDUSSCGKSA-N 1 1 353.492 1.212 50 0 FDAAMO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)[nH]1 ZINC000095385247 525061035 /nfs/dbraw/zinc/06/10/35/525061035.db2.gz XKEYTPRMSZRCHD-ZDUSSCGKSA-N 1 1 353.492 1.212 50 0 FDAAMO CS(=O)(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095392459 525065035 /nfs/dbraw/zinc/06/50/35/525065035.db2.gz YKPNLLFQTCOEEF-IAOVAPTHSA-N 1 1 350.440 1.237 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1)C2 ZINC000095499314 525084450 /nfs/dbraw/zinc/08/44/50/525084450.db2.gz ZBFLRNWUELWELC-QGZVFWFLSA-N 1 1 353.426 1.163 50 0 FDAAMO O[C@@H](COc1ccccc1CN1CC(O)C1)C[N@H+]1CCc2ccccc2C1 ZINC000095501757 525086958 /nfs/dbraw/zinc/08/69/58/525086958.db2.gz LGPRMHCXEYSELA-OAQYLSRUSA-N 1 1 368.477 1.661 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(=O)n(C)c1)CC2 ZINC000095509628 525092157 /nfs/dbraw/zinc/09/21/57/525092157.db2.gz ZFHQOXDXKPIMPC-UHFFFAOYSA-N 1 1 369.469 1.508 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(C)cn1)CC2 ZINC000095530331 525106087 /nfs/dbraw/zinc/10/60/87/525106087.db2.gz HORDJPVCWFAFMT-UHFFFAOYSA-N 1 1 354.458 1.908 50 0 FDAAMO O=C(Nc1ccc(-n2cncn2)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000095531510 525107182 /nfs/dbraw/zinc/10/71/82/525107182.db2.gz IHHKIDJRMRNXKG-KRWDZBQOSA-N 1 1 356.430 1.596 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)NCc1nnnn1-c1ccccc1)[NH+](C)C ZINC000095531021 525107860 /nfs/dbraw/zinc/10/78/60/525107860.db2.gz GAGMYYVAZHNPQN-SFHVURJKSA-N 1 1 350.426 1.890 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H](O)c2ccc[nH]2)CC1)Nc1ccccc1Cl ZINC000095948602 525108328 /nfs/dbraw/zinc/10/83/28/525108328.db2.gz KLRNAQOHFBMVCO-KRWDZBQOSA-N 1 1 362.861 1.958 50 0 FDAAMO O=C(Oc1ccccc1)N1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000095959296 525110721 /nfs/dbraw/zinc/11/07/21/525110721.db2.gz IETVEDGUQPBBLW-INIZCTEOSA-N 1 1 361.442 1.176 50 0 FDAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccnc1 ZINC000080332334 525172359 /nfs/dbraw/zinc/17/23/59/525172359.db2.gz PVHLOIIZTWYOGZ-MRXNPFEDSA-N 1 1 367.453 1.936 50 0 FDAAMO Cc1cc(N2CCC(NC(=O)N3CCC([C@@H](C)O)CC3)CC2)nc(C)[nH+]1 ZINC000176895618 525196531 /nfs/dbraw/zinc/19/65/31/525196531.db2.gz VNZPFMYDRYPCSN-CQSZACIVSA-N 1 1 361.490 1.865 50 0 FDAAMO COc1cc[nH+]c(N2CCN(Cc3nc4ccccc4c(=O)n3C)CC2)c1 ZINC000104717967 525425699 /nfs/dbraw/zinc/42/56/99/525425699.db2.gz ITLYQQSGJWPPOK-UHFFFAOYSA-N 1 1 365.437 1.659 50 0 FDAAMO NS(=O)(=O)c1cccc2c1ccnc2C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000179444315 525586186 /nfs/dbraw/zinc/58/61/86/525586186.db2.gz MZDMQUQMIUKVDG-GFCCVEGCSA-N 1 1 374.466 1.096 50 0 FDAAMO CCC[C@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000170598517 525639438 /nfs/dbraw/zinc/63/94/38/525639438.db2.gz GLDSXSMVVWMRMG-BBWFWOEESA-N 1 1 353.507 1.735 50 0 FDAAMO CCC[C@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@@H]2C)CC[N@H+]1CCOC ZINC000170598517 525639445 /nfs/dbraw/zinc/63/94/45/525639445.db2.gz GLDSXSMVVWMRMG-BBWFWOEESA-N 1 1 353.507 1.735 50 0 FDAAMO c1c[nH]c([C@@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c2ccncc2)n1 ZINC000170608464 525642080 /nfs/dbraw/zinc/64/20/80/525642080.db2.gz CNMWHPMCXGOJRR-KURKYZTESA-N 1 1 357.458 1.221 50 0 FDAAMO Cc1nonc1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000240936855 526703532 /nfs/dbraw/zinc/70/35/32/526703532.db2.gz SEXCMHJVUVKEJT-WKILWMFISA-N 1 1 362.474 1.886 50 0 FDAAMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000241124357 526982103 /nfs/dbraw/zinc/98/21/03/526982103.db2.gz JHPKCXRGBNHINM-JQHSSLGASA-N 1 1 354.454 1.741 50 0 FDAAMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000241124357 526982111 /nfs/dbraw/zinc/98/21/11/526982111.db2.gz JHPKCXRGBNHINM-JQHSSLGASA-N 1 1 354.454 1.741 50 0 FDAAMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000089735555 527442122 /nfs/dbraw/zinc/44/21/22/527442122.db2.gz BRBXTMRCBGUCCQ-AWEZNQCLSA-N 1 1 361.471 1.743 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)C[C@H]1CN1CCOCC1 ZINC000091486973 527620265 /nfs/dbraw/zinc/62/02/65/527620265.db2.gz CGTMLYZPMVKUIG-QZTJIDSGSA-N 1 1 374.460 1.588 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CN1CCOCC1 ZINC000091255002 527621112 /nfs/dbraw/zinc/62/11/12/527621112.db2.gz PUTPGWRZHKWFIK-QZTJIDSGSA-N 1 1 374.460 1.588 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)NC1CCOCC1 ZINC000182824394 535869137 /nfs/dbraw/zinc/86/91/37/535869137.db2.gz UGRRWEMUDHOXEJ-CYBMUJFWSA-N 1 1 360.380 1.834 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)NC1CCOCC1 ZINC000182824394 535869142 /nfs/dbraw/zinc/86/91/42/535869142.db2.gz UGRRWEMUDHOXEJ-CYBMUJFWSA-N 1 1 360.380 1.834 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)N3CCN(c4cccc(C)[nH+]4)CC3)cnc21 ZINC000077437884 535988647 /nfs/dbraw/zinc/98/86/47/535988647.db2.gz UGTPSFMKZGLZGA-UHFFFAOYSA-N 1 1 365.441 1.699 50 0 FDAAMO Cc1cc(C[N@H+]2C[C@@H](CO)[C@H](c3nc(-c4ccncc4)no3)C2)n(C)n1 ZINC000257190874 537252820 /nfs/dbraw/zinc/25/28/20/537252820.db2.gz PDPTUIBMRJZZDK-GOEBONIOSA-N 1 1 354.414 1.381 50 0 FDAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 ZINC000215254361 537435435 /nfs/dbraw/zinc/43/54/35/537435435.db2.gz NZKZYZBYQWQFGT-UHFFFAOYSA-N 1 1 358.442 1.290 50 0 FDAAMO Cc1cc(C)n(CCNC(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)c(=O)n1 ZINC000218835986 537468090 /nfs/dbraw/zinc/46/80/90/537468090.db2.gz RFHLHPQCQTZTKJ-QGZVFWFLSA-N 1 1 372.425 1.008 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 ZINC000218925163 537468544 /nfs/dbraw/zinc/46/85/44/537468544.db2.gz ZFSBXOOFOLBGPZ-IAGOWNOFSA-N 1 1 358.442 1.721 50 0 FDAAMO COCC[N@@H+](C)CCC(=O)N1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000220296173 537484870 /nfs/dbraw/zinc/48/48/70/537484870.db2.gz OUFYYNSJBWTFOV-GOSISDBHSA-N 1 1 350.463 1.027 50 0 FDAAMO CC(C)Cc1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)[nH]c(=O)n1 ZINC000221364170 537500736 /nfs/dbraw/zinc/50/07/36/537500736.db2.gz QUPPUUZJQKFWQZ-UHFFFAOYSA-N 1 1 354.454 1.757 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 ZINC000223358687 537524394 /nfs/dbraw/zinc/52/43/94/537524394.db2.gz YKVYYJBYYJFYNS-QGZVFWFLSA-N 1 1 367.453 1.545 50 0 FDAAMO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000223358687 537524403 /nfs/dbraw/zinc/52/44/03/537524403.db2.gz YKVYYJBYYJFYNS-QGZVFWFLSA-N 1 1 367.453 1.545 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000223358687 537524413 /nfs/dbraw/zinc/52/44/13/537524413.db2.gz YKVYYJBYYJFYNS-QGZVFWFLSA-N 1 1 367.453 1.545 50 0 FDAAMO Cn1nc(OCC(=O)N2CC[NH+](C)CC2)c2cc(Br)ccc21 ZINC000227154018 537569431 /nfs/dbraw/zinc/56/94/31/537569431.db2.gz DJYZYHYDNJGIHR-UHFFFAOYSA-N 1 1 367.247 1.489 50 0 FDAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cn2cnnn2)cc1 ZINC000230206781 537579635 /nfs/dbraw/zinc/57/96/35/537579635.db2.gz FIOPSNGSGPHISC-MSOLQXFVSA-N 1 1 354.458 1.716 50 0 FDAAMO CCCc1cc(N[C@@H]2CCN(C(=O)c3ccccn3)C[C@H]2O)nc(C)[nH+]1 ZINC000240662419 537645521 /nfs/dbraw/zinc/64/55/21/537645521.db2.gz PKVQLYZESIRFNP-NVXWUHKLSA-N 1 1 355.442 1.820 50 0 FDAAMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(-c2ccccc2CO)cc1 ZINC000426652992 538118630 /nfs/dbraw/zinc/11/86/30/538118630.db2.gz QITQCTMLQWKLEK-LJQANCHMSA-N 1 1 353.466 1.822 50 0 FDAAMO CCn1ccc(C(=O)N2CC[C@@H]3COCC[N@H+](Cc4cccnc4)[C@@H]3C2)n1 ZINC000575313969 550451628 /nfs/dbraw/zinc/45/16/28/550451628.db2.gz QSDIKRWAAPJQMJ-IEBWSBKVSA-N 1 1 369.469 1.661 50 0 FDAAMO CCn1ccc(C(=O)N2CC[C@@H]3COCC[N@@H+](Cc4cccnc4)[C@@H]3C2)n1 ZINC000575313969 550451630 /nfs/dbraw/zinc/45/16/30/550451630.db2.gz QSDIKRWAAPJQMJ-IEBWSBKVSA-N 1 1 369.469 1.661 50 0 FDAAMO CC[N@H+]1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)CC12CCOCC2 ZINC000575316407 550452130 /nfs/dbraw/zinc/45/21/30/550452130.db2.gz TZXVRMBWMUMMNJ-UHFFFAOYSA-N 1 1 370.519 1.302 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)nc2)[C@H](O)C1 ZINC000426574930 570616415 /nfs/dbraw/zinc/61/64/15/570616415.db2.gz AMVFLXOXWZMUFR-IAGOWNOFSA-N 1 1 373.457 1.570 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cnc(C(C)C)nc2)[C@H](O)C1 ZINC000426574930 570616417 /nfs/dbraw/zinc/61/64/17/570616417.db2.gz AMVFLXOXWZMUFR-IAGOWNOFSA-N 1 1 373.457 1.570 50 0 FDAAMO O=C(Nc1cnccn1)[C@H]1CCC[N@H+](Cn2c(=O)oc3ccccc32)C1 ZINC000048279354 570942785 /nfs/dbraw/zinc/94/27/85/570942785.db2.gz LMMKTQNINDLKBA-ZDUSSCGKSA-N 1 1 353.382 1.693 50 0 FDAAMO O=C(Nc1cnccn1)[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccccc32)C1 ZINC000048279354 570942791 /nfs/dbraw/zinc/94/27/91/570942791.db2.gz LMMKTQNINDLKBA-ZDUSSCGKSA-N 1 1 353.382 1.693 50 0 FDAAMO O=C(Cc1ccncc1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670471220 571045914 /nfs/dbraw/zinc/04/59/14/571045914.db2.gz VMBBQEBKTWAOOB-QUENFVSXSA-N 1 1 362.477 1.308 50 0 FDAAMO O=C(NCCSc1c[nH]nn1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000426634338 571105607 /nfs/dbraw/zinc/10/56/07/571105607.db2.gz SYOCMQUKEFZSIH-UHFFFAOYSA-N 1 1 361.475 1.209 50 0 FDAAMO O=C(NCCSc1c[nH]nn1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000426634338 571105608 /nfs/dbraw/zinc/10/56/08/571105608.db2.gz SYOCMQUKEFZSIH-UHFFFAOYSA-N 1 1 361.475 1.209 50 0 FDAAMO O=C(NCCSc1cn[nH]n1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000426634338 571105610 /nfs/dbraw/zinc/10/56/10/571105610.db2.gz SYOCMQUKEFZSIH-UHFFFAOYSA-N 1 1 361.475 1.209 50 0 FDAAMO O=C(NCCSc1cn[nH]n1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000426634338 571105612 /nfs/dbraw/zinc/10/56/12/571105612.db2.gz SYOCMQUKEFZSIH-UHFFFAOYSA-N 1 1 361.475 1.209 50 0 FDAAMO NC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000243915033 571113153 /nfs/dbraw/zinc/11/31/53/571113153.db2.gz BLYSUTFGNDDFNK-MRXNPFEDSA-N 1 1 372.469 1.449 50 0 FDAAMO NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1 ZINC000243915033 571113155 /nfs/dbraw/zinc/11/31/55/571113155.db2.gz BLYSUTFGNDDFNK-MRXNPFEDSA-N 1 1 372.469 1.449 50 0 FDAAMO CC[N@H+]1C[C@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)[C@@H](OC)C1 ZINC000244787914 571116545 /nfs/dbraw/zinc/11/65/45/571116545.db2.gz QGAXCTJESMJBBI-BBRMVZONSA-N 1 1 354.834 1.489 50 0 FDAAMO Cc1nc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3O)ccc2[nH]1 ZINC000244894060 571119349 /nfs/dbraw/zinc/11/93/49/571119349.db2.gz YZGIAXDMCVRQNJ-IEBWSBKVSA-N 1 1 365.437 1.632 50 0 FDAAMO Cc1nc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3O)ccc2[nH]1 ZINC000244894060 571119352 /nfs/dbraw/zinc/11/93/52/571119352.db2.gz YZGIAXDMCVRQNJ-IEBWSBKVSA-N 1 1 365.437 1.632 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](C2CSCCSC2)C[C@H]1O)c1ccccc1 ZINC000252486636 571132545 /nfs/dbraw/zinc/13/25/45/571132545.db2.gz HNHSHPSNIAOBGM-HZPDHXFCSA-N 1 1 352.525 1.700 50 0 FDAAMO OC1CN(c2nc(NCc3cc4ccccc4[nH]3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426584040 571132756 /nfs/dbraw/zinc/13/27/56/571132756.db2.gz PRDPOYAKGBLFFW-AWEZNQCLSA-N 1 1 365.437 2.255 50 0 FDAAMO O=C(CCN1Cc2ccccc2C1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000252537308 571134382 /nfs/dbraw/zinc/13/43/82/571134382.db2.gz KXXFEXBIPXYSEH-SFHLNBCPSA-N 1 1 357.498 1.648 50 0 FDAAMO CN1C(=O)N(C)C2(CC[NH+](Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)C1=O ZINC000253536219 571137721 /nfs/dbraw/zinc/13/77/21/571137721.db2.gz LCTBSAGIIXZKRY-UHFFFAOYSA-N 1 1 372.400 1.938 50 0 FDAAMO Cc1nc(CCNc2cc([C@H]3CCOC3)[nH+]c(N)n2)nc2c1CCCC2 ZINC000426545055 571138245 /nfs/dbraw/zinc/13/82/45/571138245.db2.gz LOVDHOGOSLWTQV-ZDUSSCGKSA-N 1 1 354.458 1.616 50 0 FDAAMO O=C(NCCCc1nn[nH]n1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426398214 571219681 /nfs/dbraw/zinc/21/96/81/571219681.db2.gz VUEHCWMNVHGAPR-UHFFFAOYSA-N 1 1 369.473 1.017 50 0 FDAAMO O=C(NCCCc1nn[nH]n1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000426398214 571219684 /nfs/dbraw/zinc/21/96/84/571219684.db2.gz VUEHCWMNVHGAPR-UHFFFAOYSA-N 1 1 369.473 1.017 50 0 FDAAMO COCCN1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000426474287 571227215 /nfs/dbraw/zinc/22/72/15/571227215.db2.gz NXCHMLFWKDQFOF-UHFFFAOYSA-N 1 1 357.458 1.654 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000426523723 571230138 /nfs/dbraw/zinc/23/01/38/571230138.db2.gz TXCUCMGSYZVRPG-OAHLLOKOSA-N 1 1 367.457 1.959 50 0 FDAAMO O=C(Cn1cc2ccccc2n1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000426544785 571231021 /nfs/dbraw/zinc/23/10/21/571231021.db2.gz KZEYZJGJVYBHJJ-RTBURBONSA-N 1 1 365.437 1.183 50 0 FDAAMO O=C(Cn1cc2ccccc2n1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000426544785 571231022 /nfs/dbraw/zinc/23/10/22/571231022.db2.gz KZEYZJGJVYBHJJ-RTBURBONSA-N 1 1 365.437 1.183 50 0 FDAAMO CCc1ccccc1OC1CN(C(=O)NCC[N@H+]2CCC[C@H](CO)C2)C1 ZINC000426711182 571236064 /nfs/dbraw/zinc/23/60/64/571236064.db2.gz CSRFVIFJODJTEG-INIZCTEOSA-N 1 1 361.486 1.726 50 0 FDAAMO [NH3+]Cc1nnc(SC[C@H]2CCCS(=O)(=O)C2)n1-c1ccc(F)cc1 ZINC000426715906 571236431 /nfs/dbraw/zinc/23/64/31/571236431.db2.gz LOODZUFVSBMHNF-LLVKDONJSA-N 1 1 370.475 1.782 50 0 FDAAMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)c1n[nH]c2c1CCC2 ZINC000284705671 571336659 /nfs/dbraw/zinc/33/66/59/571336659.db2.gz ZKMBUAUSVKJFQC-SCLBCKFNSA-N 1 1 356.474 1.787 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CO)c(Cl)cc1F ZINC000670454870 571353594 /nfs/dbraw/zinc/35/35/94/571353594.db2.gz IPYOGBJKQXUITP-LBPRGKRZSA-N 1 1 364.870 1.913 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CO)c(Cl)cc1F ZINC000670454870 571353595 /nfs/dbraw/zinc/35/35/95/571353595.db2.gz IPYOGBJKQXUITP-LBPRGKRZSA-N 1 1 364.870 1.913 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000012460133 670612994 /nfs/dbraw/zinc/61/29/94/670612994.db2.gz WQOQQOQKVKPDFJ-QGZVFWFLSA-N 1 1 352.504 1.079 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@H+](Cc3nc(CSC)no3)C2)C1=O ZINC000092038012 671514481 /nfs/dbraw/zinc/51/44/81/671514481.db2.gz RLUJEXWJRSDXFF-INIZCTEOSA-N 1 1 354.476 1.394 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3nc(CSC)no3)C2)C1=O ZINC000092038012 671514484 /nfs/dbraw/zinc/51/44/84/671514484.db2.gz RLUJEXWJRSDXFF-INIZCTEOSA-N 1 1 354.476 1.394 50 0 FDAAMO COC[C@H]1C[N@@H+](C)CC12CCN(S(=O)(=O)c1ccc(OC)cc1)CC2 ZINC000169782654 672040956 /nfs/dbraw/zinc/04/09/56/672040956.db2.gz KVKFVXPJRNFMNU-OAHLLOKOSA-N 1 1 368.499 1.674 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)CCO1 ZINC000178638694 672144951 /nfs/dbraw/zinc/14/49/51/672144951.db2.gz SVXONALRYTUDEJ-LLVKDONJSA-N 1 1 374.894 1.191 50 0 FDAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)CCO1 ZINC000178638694 672144954 /nfs/dbraw/zinc/14/49/54/672144954.db2.gz SVXONALRYTUDEJ-LLVKDONJSA-N 1 1 374.894 1.191 50 0 FDAAMO Cc1nnc([C@H]2CC3(C[N@H+]2CCCO)CCN(C(=O)C(C)C)CC3)o1 ZINC000257192566 672630928 /nfs/dbraw/zinc/63/09/28/672630928.db2.gz VAHVFDXXHWFZPM-OAHLLOKOSA-N 1 1 350.463 1.772 50 0 FDAAMO Cc1nnc([C@H]2CC3(C[N@@H+]2CCCO)CCN(C(=O)C(C)C)CC3)o1 ZINC000257192566 672630931 /nfs/dbraw/zinc/63/09/31/672630931.db2.gz VAHVFDXXHWFZPM-OAHLLOKOSA-N 1 1 350.463 1.772 50 0 FDAAMO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](Cc1ccccc1)CC2 ZINC000257178703 793889428 /nfs/dbraw/zinc/88/94/28/793889428.db2.gz GZFYIFFFWDETCM-LJQANCHMSA-N 1 1 357.498 1.832 50 0 FDAAMO CCOCC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)NC)[C@H]23 ZINC000257181220 793910046 /nfs/dbraw/zinc/91/00/46/793910046.db2.gz FGUCAOKMKUDGAA-XLSPSMHOSA-N 1 1 365.518 1.641 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@@H](c3cc4n(n3)CCCN(C)C4=O)C2)cnn1C ZINC000675009094 795199690 /nfs/dbraw/zinc/19/96/90/795199690.db2.gz FRTUAOVSKXQLKP-OAHLLOKOSA-N 1 1 356.474 1.780 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2cc(I)cn2)CC1 ZINC000675027332 795273399 /nfs/dbraw/zinc/27/33/99/795273399.db2.gz FGIKOELVEVVZPA-JTQLQIEISA-N 1 1 362.215 1.213 50 0 FDAAMO C[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000334111012 801126159 /nfs/dbraw/zinc/12/61/59/801126159.db2.gz BTRCTPZTEVUFQE-WBVHZDCISA-N 1 1 353.470 1.653 50 0 FDAAMO C[C@@H]1CN(C(=O)[C@H]2CCc3nnn(C)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000334111012 801126164 /nfs/dbraw/zinc/12/61/64/801126164.db2.gz BTRCTPZTEVUFQE-WBVHZDCISA-N 1 1 353.470 1.653 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3cccnc3C)CC2)C12CCOCC2 ZINC000257183844 864492113 /nfs/dbraw/zinc/49/21/13/864492113.db2.gz SKURZNLEHJTYOE-SFHVURJKSA-N 1 1 359.470 1.874 50 0 FDAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)Cn1cncn1 ZINC000012573686 887120260 /nfs/dbraw/zinc/12/02/60/887120260.db2.gz FZKDPFIYAIOQLL-MRXNPFEDSA-N 1 1 359.449 1.830 50 0 FDAAMO C/C=C(\C)C[N@@H+]1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1 ZINC000011812997 893789889 /nfs/dbraw/zinc/78/98/89/893789889.db2.gz JPCJXTSTIHINKW-LNKIKWGQSA-N 1 1 373.457 1.772 50 0 FDAAMO O=C(CCCN1CCCCC1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000827939618 924791934 /nfs/dbraw/zinc/79/19/34/924791934.db2.gz NBGKBMFPARWCHV-KRWDZBQOSA-N 1 1 351.491 1.492 50 0 FDAAMO CC1CCN(S(=O)(=O)N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)CC1 ZINC000828711124 924926556 /nfs/dbraw/zinc/92/65/56/924926556.db2.gz HPBNVLWAJHPFPO-INIZCTEOSA-N 1 1 359.536 1.132 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)CC2)cc1 ZINC000581787886 927573885 /nfs/dbraw/zinc/57/38/85/927573885.db2.gz GSLWXRNDDXQJSA-MRXNPFEDSA-N 1 1 368.499 1.818 50 0 FDAAMO Cc1nnc([C@H]2CC[N@H+](Cc3ccc[nH]3)C[C@H]2NC(=O)C2CCOCC2)[nH]1 ZINC000581798884 927582895 /nfs/dbraw/zinc/58/28/95/927582895.db2.gz ATELKZAMMCAQTG-DLBZAZTESA-N 1 1 372.473 1.342 50 0 FDAAMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc[nH]3)C[C@H]2NC(=O)C2CCOCC2)[nH]1 ZINC000581798884 927582901 /nfs/dbraw/zinc/58/29/01/927582901.db2.gz ATELKZAMMCAQTG-DLBZAZTESA-N 1 1 372.473 1.342 50 0 FDAAMO Cc1ncoc1C(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803120 927598321 /nfs/dbraw/zinc/59/83/21/927598321.db2.gz SGQPVXMVEZGCLA-MRXNPFEDSA-N 1 1 362.474 1.242 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1C ZINC000952861374 960189673 /nfs/dbraw/zinc/18/96/73/960189673.db2.gz DWJXZFGRLLRUCT-MRXNPFEDSA-N 1 1 370.515 1.717 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc1C ZINC000952861374 960189682 /nfs/dbraw/zinc/18/96/82/960189682.db2.gz DWJXZFGRLLRUCT-MRXNPFEDSA-N 1 1 370.515 1.717 50 0 FDAAMO CN(C[C@H]1CCC[N@@H+](CCO)C1)S(=O)(=O)CCOc1ccccc1F ZINC000952872163 960219616 /nfs/dbraw/zinc/21/96/16/960219616.db2.gz IIVRVOBCFNBUGU-OAHLLOKOSA-N 1 1 374.478 1.170 50 0 FDAAMO C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(CC(N)=O)C3)cc2)CC1 ZINC000952978181 960276260 /nfs/dbraw/zinc/27/62/60/960276260.db2.gz BBUBDLYJRCYEOP-HNNXBMFYSA-N 1 1 374.485 1.295 50 0 FDAAMO C[NH+](C)CC(=O)Nc1ccccc1NC(=O)c1cccc(-n2cnnc2)n1 ZINC000952968288 960284047 /nfs/dbraw/zinc/28/40/47/960284047.db2.gz BOEVDRYKLVHERN-UHFFFAOYSA-N 1 1 365.397 1.415 50 0 FDAAMO Cc1ccc2[nH]c([C@@H](NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)nc2c1 ZINC000952986207 960308404 /nfs/dbraw/zinc/30/84/04/960308404.db2.gz YUMHHZZLCXSDSX-KSSFIOAISA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@@H](NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986207 960308409 /nfs/dbraw/zinc/30/84/09/960308409.db2.gz YUMHHZZLCXSDSX-KSSFIOAISA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@@H](NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986207 960308418 /nfs/dbraw/zinc/30/84/18/960308418.db2.gz YUMHHZZLCXSDSX-KSSFIOAISA-N 1 1 371.485 1.882 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)C1 ZINC000952990125 960316593 /nfs/dbraw/zinc/31/65/93/960316593.db2.gz GEYXFYNLPGZATB-JZXOWHBKSA-N 1 1 361.461 1.850 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000245311976 210210673 /nfs/dbraw/zinc/21/06/73/210210673.db2.gz RFFBFDMQYWRRNM-CABCVRRESA-N 1 1 368.503 1.074 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccn(CC)c(=O)c3)cc2C1 ZINC000299799019 210038543 /nfs/dbraw/zinc/03/85/43/210038543.db2.gz WWUJCXYJPVVPCT-UHFFFAOYSA-N 1 1 357.458 1.610 50 0 FDAAMO COc1cccc(OC)c1OCC[N@H+]1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299790062 210030620 /nfs/dbraw/zinc/03/06/20/210030620.db2.gz ASYFTRNHJMHNKI-GJZGRUSLSA-N 1 1 360.414 1.520 50 0 FDAAMO COc1ccc2ncc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)c(O)c2c1 ZINC000299781739 210025328 /nfs/dbraw/zinc/02/53/28/210025328.db2.gz USLYHDKUJTXTKY-IRXDYDNUSA-N 1 1 359.426 1.786 50 0 FDAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F ZINC000299781206 210025097 /nfs/dbraw/zinc/02/50/97/210025097.db2.gz STBZYLMEPCRDAV-GFCCVEGCSA-N 1 1 358.439 1.803 50 0 FDAAMO CCC[NH+]1CCC([N@H+]2CC[C@@H](N3CCOCC3)[C@@H](CCC(=O)[O-])C2)CC1 ZINC000299779322 210023999 /nfs/dbraw/zinc/02/39/99/210023999.db2.gz TVBMMTNDQNSJPZ-PKOBYXMFSA-N 1 1 367.534 1.748 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cnc3cccc(C)n3c2=O)C1 ZINC000299774963 210021639 /nfs/dbraw/zinc/02/16/39/210021639.db2.gz JFHDPCFTIRDFAS-OAHLLOKOSA-N 1 1 358.442 1.091 50 0 FDAAMO COc1cc2nc(N(C)C)c(CNCC[NH+](C)C)cc2c(OC)c1OC ZINC000299773799 210019437 /nfs/dbraw/zinc/01/94/37/210019437.db2.gz FYQGBRXPLFGVOY-UHFFFAOYSA-N 1 1 362.474 1.978 50 0 FDAAMO CNC(=O)c1cc(NC(=O)NC[C@H]2CC[N@@H+](CCOC)C2)ccc1OC ZINC000299768100 210016360 /nfs/dbraw/zinc/01/63/60/210016360.db2.gz HQPVNRUIEGUGOC-CYBMUJFWSA-N 1 1 364.446 1.145 50 0 FDAAMO O[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)nc2)CC[C@H]1Nc1ncccn1 ZINC000299761942 210012608 /nfs/dbraw/zinc/01/26/08/210012608.db2.gz ZNZJKEKSZJFALM-HUUCEWRRSA-N 1 1 352.398 1.574 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2cnc(-c3ccco3)nc2)CC[C@H]1Nc1ncccn1 ZINC000299761942 210012610 /nfs/dbraw/zinc/01/26/10/210012610.db2.gz ZNZJKEKSZJFALM-HUUCEWRRSA-N 1 1 352.398 1.574 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCN1CCCOC1=O ZINC000299759663 210011505 /nfs/dbraw/zinc/01/15/05/210011505.db2.gz NXDILNKMIVOPGC-QGZVFWFLSA-N 1 1 361.442 1.236 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCN1CCCOC1=O ZINC000299759663 210011511 /nfs/dbraw/zinc/01/15/11/210011511.db2.gz NXDILNKMIVOPGC-QGZVFWFLSA-N 1 1 361.442 1.236 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(O)cn1 ZINC000299760329 210011228 /nfs/dbraw/zinc/01/12/28/210011228.db2.gz QHBZNUNRBNPDFY-RNFHDMOYSA-N 1 1 364.449 1.085 50 0 FDAAMO O=C([C@@H]1CC(=O)OC12CCCC2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299755164 210009781 /nfs/dbraw/zinc/00/97/81/210009781.db2.gz CTPDUTYEPRNHID-KRWDZBQOSA-N 1 1 357.454 1.992 50 0 FDAAMO O=C([C@@H]1CC(=O)OC12CCCC2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299755164 210009786 /nfs/dbraw/zinc/00/97/86/210009786.db2.gz CTPDUTYEPRNHID-KRWDZBQOSA-N 1 1 357.454 1.992 50 0 FDAAMO O=C(NCCNc1cnccn1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000058415177 212009457 /nfs/dbraw/zinc/00/94/57/212009457.db2.gz BNPVKZRHRSASKD-UHFFFAOYSA-N 1 1 370.457 1.220 50 0 FDAAMO COCC[NH+]1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 ZINC000058307024 212003142 /nfs/dbraw/zinc/00/31/42/212003142.db2.gz PQNIQUDPHXAGAD-SFHVURJKSA-N 1 1 358.442 1.927 50 0 FDAAMO CNC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000022792778 211363254 /nfs/dbraw/zinc/36/32/54/211363254.db2.gz MIQBBRUYLRDUIV-UHFFFAOYSA-N 1 1 372.494 1.864 50 0 FDAAMO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](Cc2ccon2)CC1 ZINC000020638027 211292132 /nfs/dbraw/zinc/29/21/32/211292132.db2.gz SJFJUPJSCHQIGE-UHFFFAOYSA-N 1 1 353.386 1.501 50 0 FDAAMO CCC[N@@H+]1CCc2c(sc3c2c(N[C@H](CC)CO)nc2nnnn23)C1 ZINC000020518022 211284821 /nfs/dbraw/zinc/28/48/21/211284821.db2.gz QIKLRSBRKVWYEL-SNVBAGLBSA-N 1 1 361.475 1.685 50 0 FDAAMO CCC[N@H+]1CCc2c(sc3c2c(N[C@H](CC)CO)nc2nnnn23)C1 ZINC000020518022 211284825 /nfs/dbraw/zinc/28/48/25/211284825.db2.gz QIKLRSBRKVWYEL-SNVBAGLBSA-N 1 1 361.475 1.685 50 0 FDAAMO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000019731679 211252145 /nfs/dbraw/zinc/25/21/45/211252145.db2.gz CQUYHQQHEAJYFO-OAHLLOKOSA-N 1 1 354.362 1.846 50 0 FDAAMO CCOC(=O)c1c(N)n(CC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000019867050 211260381 /nfs/dbraw/zinc/26/03/81/211260381.db2.gz JWNKTKKBPANCLR-UHFFFAOYSA-N 1 1 369.425 1.676 50 0 FDAAMO COc1ccc(C(=O)NC(=S)N2CC[NH+](C)CC2)cc1Br ZINC000019860647 211259842 /nfs/dbraw/zinc/25/98/42/211259842.db2.gz AUFWYSRMTTXDRU-UHFFFAOYSA-N 1 1 372.288 1.720 50 0 FDAAMO C[NH+]1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000019313516 211213836 /nfs/dbraw/zinc/21/38/36/211213836.db2.gz GLAGTDSBIHVAMV-ZDUSSCGKSA-N 1 1 352.232 1.328 50 0 FDAAMO CCCN1CC[NH+](C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000019226013 211206580 /nfs/dbraw/zinc/20/65/80/211206580.db2.gz VESYQXKRQNTMFZ-HXUWFJFHSA-N 1 1 351.535 1.948 50 0 FDAAMO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@@H+](CC3CC3)C[C@H]12 ZINC000014740893 211100115 /nfs/dbraw/zinc/10/01/15/211100115.db2.gz FRBCCZWNJPSLCW-ZWKOTPCHSA-N 1 1 352.438 1.132 50 0 FDAAMO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000014202078 211085520 /nfs/dbraw/zinc/08/55/20/211085520.db2.gz VISSMUBQWPZXGZ-KRWDZBQOSA-N 1 1 350.459 1.373 50 0 FDAAMO O=C(Cn1nnc(-c2ccccc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014071974 211070298 /nfs/dbraw/zinc/07/02/98/211070298.db2.gz HXJNDDMUCDQZHO-UHFFFAOYSA-N 1 1 362.437 1.685 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000014117881 211075210 /nfs/dbraw/zinc/07/52/10/211075210.db2.gz ULYKGRPHNULSPO-FQEVSTJZSA-N 1 1 372.469 1.693 50 0 FDAAMO COc1cc(NC(=S)N2CC[NH+](CCO)CC2)c(OC)cc1Cl ZINC000013497503 211038394 /nfs/dbraw/zinc/03/83/94/211038394.db2.gz LFESZULVHAGOAO-UHFFFAOYSA-N 1 1 359.879 1.664 50 0 FDAAMO Cc1nc(NCCNC(=O)Nc2ccccc2F)cc(N2CCOCC2)[nH+]1 ZINC000065363217 221202214 /nfs/dbraw/zinc/20/22/14/221202214.db2.gz UQRZPPSFFGVURV-UHFFFAOYSA-N 1 1 374.420 1.994 50 0 FDAAMO CC(=O)N1CCCn2nc(C(=O)NCCNc3[nH+]cccc3C)cc2C1 ZINC000065384435 221209180 /nfs/dbraw/zinc/20/91/80/221209180.db2.gz NBUKVRLYBUOTCD-UHFFFAOYSA-N 1 1 356.430 1.181 50 0 FDAAMO C[N@@H+](CCCNS(C)(=O)=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000065553034 221234253 /nfs/dbraw/zinc/23/42/53/221234253.db2.gz BLNFMKJPYWYLMH-UONOGXRCSA-N 1 1 367.298 1.823 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCN(C)C(=O)C3)nc2)C1 ZINC000067446651 221254585 /nfs/dbraw/zinc/25/45/85/221254585.db2.gz LEKOHFLFJIPYRN-MRXNPFEDSA-N 1 1 373.501 1.068 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2ccc3ncccc3c2)C1=O ZINC000067446667 221254748 /nfs/dbraw/zinc/25/47/48/221254748.db2.gz GXBDFPAAEJFNKL-HXUWFJFHSA-N 1 1 357.454 1.667 50 0 FDAAMO Cc1ccc(C2(O)CCN(c3nc(N4CC[C@@H](O)C4)cc[nH+]3)CC2)nc1 ZINC000067490945 221257434 /nfs/dbraw/zinc/25/74/34/221257434.db2.gz HPXPXJBNLJXGCQ-OAHLLOKOSA-N 1 1 355.442 1.239 50 0 FDAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067640979 221264008 /nfs/dbraw/zinc/26/40/08/221264008.db2.gz UAMQMQDECZENNP-AWEZNQCLSA-N 1 1 350.463 1.091 50 0 FDAAMO CCn1ncnc1CN1CC[N@@H+](C)C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000067689358 221272159 /nfs/dbraw/zinc/27/21/59/221272159.db2.gz WFHSJTCKMMROSP-UHFFFAOYSA-N 1 1 372.473 1.313 50 0 FDAAMO O=C(Cc1csc(-c2ccccc2)n1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067894254 221301894 /nfs/dbraw/zinc/30/18/94/221301894.db2.gz QLMOXVAJGWROQQ-UHFFFAOYSA-N 1 1 370.478 1.433 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCOCC3)C2=O)c1 ZINC000067868992 221297777 /nfs/dbraw/zinc/29/77/77/221297777.db2.gz DDEKZARZKUSBGG-SFHVURJKSA-N 1 1 352.406 1.020 50 0 FDAAMO CNC(=O)Cn1cc(NC(=O)c2cccc(C[N@@H+]3CC=CCC3)c2)cn1 ZINC000067921827 221305224 /nfs/dbraw/zinc/30/52/24/221305224.db2.gz XZBIKKMYKRBJEB-UHFFFAOYSA-N 1 1 353.426 1.643 50 0 FDAAMO CCC[N@@H+](C)C[C@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067920589 221305726 /nfs/dbraw/zinc/30/57/26/221305726.db2.gz OIVBGYDHVBZYSQ-LJQANCHMSA-N 1 1 350.459 1.899 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc(C)n3)CC2)C1 ZINC000067934450 221306162 /nfs/dbraw/zinc/30/61/62/221306162.db2.gz PGNUTYVSRJITNK-GOSISDBHSA-N 1 1 374.529 1.829 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(CCc3ccccn3)CC2)cc1 ZINC000071280349 221336749 /nfs/dbraw/zinc/33/67/49/221336749.db2.gz UNXMAENQIHGEIK-IBGZPJMESA-N 1 1 371.481 1.690 50 0 FDAAMO COc1ccc(OC[C@@H](O)CN2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000071280349 221336753 /nfs/dbraw/zinc/33/67/53/221336753.db2.gz UNXMAENQIHGEIK-IBGZPJMESA-N 1 1 371.481 1.690 50 0 FDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(CCc3ccccn3)CC2)cc1 ZINC000071280348 221336791 /nfs/dbraw/zinc/33/67/91/221336791.db2.gz UNXMAENQIHGEIK-LJQANCHMSA-N 1 1 371.481 1.690 50 0 FDAAMO COc1ccc(OC[C@H](O)CN2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000071280348 221336794 /nfs/dbraw/zinc/33/67/94/221336794.db2.gz UNXMAENQIHGEIK-LJQANCHMSA-N 1 1 371.481 1.690 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)on1 ZINC000071415765 221346303 /nfs/dbraw/zinc/34/63/03/221346303.db2.gz PLBZWSFTHAOBGK-MRXNPFEDSA-N 1 1 374.485 1.922 50 0 FDAAMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071439578 221349122 /nfs/dbraw/zinc/34/91/22/221349122.db2.gz LYSIVWUXIKHFRY-KRWDZBQOSA-N 1 1 370.497 1.985 50 0 FDAAMO O=C(NCc1ncc[nH]1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071738482 221356739 /nfs/dbraw/zinc/35/67/39/221356739.db2.gz JSUOCQLCMPIUKO-HNNXBMFYSA-N 1 1 359.474 1.139 50 0 FDAAMO COCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071735795 221357071 /nfs/dbraw/zinc/35/70/71/221357071.db2.gz SQQHHSYZCADOLY-IBGZPJMESA-N 1 1 374.529 1.911 50 0 FDAAMO Cc1noc(C)c1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071748299 221359835 /nfs/dbraw/zinc/35/98/35/221359835.db2.gz KQGHJJQPSSNYGM-OAHLLOKOSA-N 1 1 374.485 1.887 50 0 FDAAMO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000071830502 221382067 /nfs/dbraw/zinc/38/20/67/221382067.db2.gz ALTNJGPPAOQPLT-RBSFLKMASA-N 1 1 352.504 1.680 50 0 FDAAMO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000071830502 221382070 /nfs/dbraw/zinc/38/20/70/221382070.db2.gz ALTNJGPPAOQPLT-RBSFLKMASA-N 1 1 352.504 1.680 50 0 FDAAMO C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000071846720 221382744 /nfs/dbraw/zinc/38/27/44/221382744.db2.gz UXJBSPAZUDRBPU-GFCCVEGCSA-N 1 1 368.434 1.385 50 0 FDAAMO CCc1cc(N2CCC([NH2+][C@H]3CCCNC3=O)CC2)nc(N2CCCC2)n1 ZINC000095501564 132212287 /nfs/dbraw/zinc/21/22/87/132212287.db2.gz JLAGUILXDZKOHR-KRWDZBQOSA-N 1 1 372.517 1.476 50 0 FDAAMO Cc1cccnc1C[NH+]1CCN(c2nccc(N3CC[C@H](O)C3)n2)CC1 ZINC000095509336 132212995 /nfs/dbraw/zinc/21/29/95/132212995.db2.gz IVMYDYFUIGYNAW-INIZCTEOSA-N 1 1 354.458 1.073 50 0 FDAAMO Cc1nn(C)c(C)c1C[N@@H+](C)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095525412 132214551 /nfs/dbraw/zinc/21/45/51/132214551.db2.gz DKCPYQNHWKTCFD-UHFFFAOYSA-N 1 1 354.462 1.804 50 0 FDAAMO Cc1nn(C)c(C)c1C[N@H+](C)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095525412 132214552 /nfs/dbraw/zinc/21/45/52/132214552.db2.gz DKCPYQNHWKTCFD-UHFFFAOYSA-N 1 1 354.462 1.804 50 0 FDAAMO Cc1nn(C)c(C)c1C[N@@H+](C)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095525412 132214553 /nfs/dbraw/zinc/21/45/53/132214553.db2.gz DKCPYQNHWKTCFD-UHFFFAOYSA-N 1 1 354.462 1.804 50 0 FDAAMO Cc1noc2ncnc(N3CC[N@@H+](Cc4ccccc4)[C@@H](CCO)C3)c12 ZINC000106946754 132240964 /nfs/dbraw/zinc/24/09/64/132240964.db2.gz RPQLUOPTEKVSIO-INIZCTEOSA-N 1 1 353.426 1.999 50 0 FDAAMO O=C1CCCN1CC[NH+]1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 ZINC000252490443 132292403 /nfs/dbraw/zinc/29/24/03/132292403.db2.gz KTMSPSXEJAMRPA-UHFFFAOYSA-N 1 1 367.453 1.181 50 0 FDAAMO Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000299760933 132297858 /nfs/dbraw/zinc/29/78/58/132297858.db2.gz SBAQJEIDRPYULN-ZDUSSCGKSA-N 1 1 371.489 1.378 50 0 FDAAMO Clc1ccc(OCC[NH+]2CCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000057373665 136128862 /nfs/dbraw/zinc/12/88/62/136128862.db2.gz UMKFLAXGGGWDJH-UHFFFAOYSA-N 1 1 359.821 1.374 50 0 FDAAMO CC(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058291099 136131405 /nfs/dbraw/zinc/13/14/05/136131405.db2.gz JVSIXBYAROMUFQ-ZACQAIPSSA-N 1 1 361.490 1.259 50 0 FDAAMO CCOC(=O)c1cccnc1N1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000065461337 136136488 /nfs/dbraw/zinc/13/64/88/136136488.db2.gz OSEHUDGSXOPGPR-UHFFFAOYSA-N 1 1 356.426 1.990 50 0 FDAAMO NC(=O)c1cncc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000067673303 136137352 /nfs/dbraw/zinc/13/73/52/136137352.db2.gz UPPUKMSCUSXUQU-UHFFFAOYSA-N 1 1 363.425 1.083 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071774531 136140959 /nfs/dbraw/zinc/14/09/59/136140959.db2.gz DTGNYPGKJAQMKG-CQSZACIVSA-N 1 1 368.485 1.917 50 0 FDAAMO CCN(C)C(=O)C[N@@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072476510 136149365 /nfs/dbraw/zinc/14/93/65/136149365.db2.gz PMNADIQBRYSHMW-INIZCTEOSA-N 1 1 361.490 1.279 50 0 FDAAMO CCN(C)C(=O)C[N@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072476510 136149366 /nfs/dbraw/zinc/14/93/66/136149366.db2.gz PMNADIQBRYSHMW-INIZCTEOSA-N 1 1 361.490 1.279 50 0 FDAAMO CCN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072476511 136149415 /nfs/dbraw/zinc/14/94/15/136149415.db2.gz PMNADIQBRYSHMW-MRXNPFEDSA-N 1 1 361.490 1.279 50 0 FDAAMO CCN(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072476511 136149416 /nfs/dbraw/zinc/14/94/16/136149416.db2.gz PMNADIQBRYSHMW-MRXNPFEDSA-N 1 1 361.490 1.279 50 0 FDAAMO CCCc1cc(N[C@@H]2C[C@@H](C(=O)NC)[N@H+](C3CCOCC3)C2)nc(C)n1 ZINC000096131812 222036622 /nfs/dbraw/zinc/03/66/22/222036622.db2.gz WOSXPZLXCCVKGC-WBVHZDCISA-N 1 1 361.490 1.517 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)C[N@H+]1C1CCOCC1 ZINC000096136365 222040151 /nfs/dbraw/zinc/04/01/51/222040151.db2.gz VGDBHRBZGHRSMO-MJGOQNOKSA-N 1 1 373.497 1.907 50 0 FDAAMO C[C@H](CCc1nc(CC(N)=O)nn1C1CCCCC1)N1CC[NH+](C)CC1 ZINC000096152497 222054600 /nfs/dbraw/zinc/05/46/00/222054600.db2.gz VRIVDRSMEHSYKD-OAHLLOKOSA-N 1 1 362.522 1.380 50 0 FDAAMO Cc1cc(OC(F)F)ccc1NC(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097521923 222188358 /nfs/dbraw/zinc/18/83/58/222188358.db2.gz IAMGTPILKYTBFJ-GFCCVEGCSA-N 1 1 370.400 1.915 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000097572242 222192229 /nfs/dbraw/zinc/19/22/29/222192229.db2.gz VHSFDLAJUIVFTI-INIZCTEOSA-N 1 1 351.422 1.171 50 0 FDAAMO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000097617842 222199762 /nfs/dbraw/zinc/19/97/62/222199762.db2.gz FLQPHKVBDYMUCZ-UHFFFAOYSA-N 1 1 353.488 1.495 50 0 FDAAMO Cn1c(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc2ccc(Cl)cc21 ZINC000097694862 222205982 /nfs/dbraw/zinc/20/59/82/222205982.db2.gz TWRKDSOMQGEXQS-CYBMUJFWSA-N 1 1 362.861 1.759 50 0 FDAAMO CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCN2CC[N@@H+](C)C[C@H]2C1 ZINC000106261583 222385114 /nfs/dbraw/zinc/38/51/14/222385114.db2.gz NLGZMDOIOXNTDU-AWEZNQCLSA-N 1 1 364.877 1.760 50 0 FDAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000332261352 259253350 /nfs/dbraw/zinc/25/33/50/259253350.db2.gz DYLVVGYFEIAEEP-XUJVJEKNSA-N 1 1 365.396 1.928 50 0 FDAAMO Cc1cccc(CN2[NH+]=C(C)[C@@H](C)n3c4c(nc32)n(C)c(=O)n(C)c4=O)c1 ZINC000005148002 518332369 /nfs/dbraw/zinc/33/23/69/518332369.db2.gz KJVVZFQUFXPIPR-CYBMUJFWSA-N 1 1 366.425 1.699 50 0 FDAAMO CCCCn1c(C[N@@H+]2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000005869913 518357308 /nfs/dbraw/zinc/35/73/08/518357308.db2.gz YSKFZKNWCYPMHN-AWEZNQCLSA-N 1 1 361.490 1.998 50 0 FDAAMO CCCCn1c(C[N@H+]2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000005869913 518357317 /nfs/dbraw/zinc/35/73/17/518357317.db2.gz YSKFZKNWCYPMHN-AWEZNQCLSA-N 1 1 361.490 1.998 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1 ZINC000009060496 518495554 /nfs/dbraw/zinc/49/55/54/518495554.db2.gz CAZAGJYCKZMKRM-UHFFFAOYSA-N 1 1 366.425 1.355 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(F)c1 ZINC000009315288 518503423 /nfs/dbraw/zinc/50/34/23/518503423.db2.gz MQOAXKAKFFBEKY-GFCCVEGCSA-N 1 1 365.430 1.932 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC000009315288 518503429 /nfs/dbraw/zinc/50/34/29/518503429.db2.gz MQOAXKAKFFBEKY-GFCCVEGCSA-N 1 1 365.430 1.932 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCOc1cccnc1 ZINC000011820474 518573153 /nfs/dbraw/zinc/57/31/53/518573153.db2.gz VWCDXMPGGSNOIE-SFHVURJKSA-N 1 1 374.485 1.347 50 0 FDAAMO COc1ccc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000012825259 518636964 /nfs/dbraw/zinc/63/69/64/518636964.db2.gz LRIGBPABJCRLKN-UHFFFAOYSA-N 1 1 370.457 1.819 50 0 FDAAMO Cc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3C)cc1 ZINC000020560417 518852564 /nfs/dbraw/zinc/85/25/64/518852564.db2.gz HZSYIEXQQHHZDU-UHFFFAOYSA-N 1 1 367.457 1.530 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCOCC1 ZINC000025254975 519048961 /nfs/dbraw/zinc/04/89/61/519048961.db2.gz FPLOQVUKSGMDIW-HNNXBMFYSA-N 1 1 372.469 1.329 50 0 FDAAMO CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000025361379 519059808 /nfs/dbraw/zinc/05/98/08/519059808.db2.gz NGLXZSYTFGTKFT-MRXNPFEDSA-N 1 1 369.462 1.066 50 0 FDAAMO CS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000025361379 519059815 /nfs/dbraw/zinc/05/98/15/519059815.db2.gz NGLXZSYTFGTKFT-MRXNPFEDSA-N 1 1 369.462 1.066 50 0 FDAAMO COC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000026455775 519123140 /nfs/dbraw/zinc/12/31/40/519123140.db2.gz YPMYAGKRYUGMMW-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)CC2)c1 ZINC000031215361 519417659 /nfs/dbraw/zinc/41/76/59/519417659.db2.gz BMNXYTZXMOSMTL-UHFFFAOYSA-N 1 1 354.454 1.582 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cn3cc(C)ccc3[nH+]2)c1 ZINC000031646463 519450599 /nfs/dbraw/zinc/45/05/99/519450599.db2.gz ZSWNEFDSFWKEPS-UHFFFAOYSA-N 1 1 374.466 1.883 50 0 FDAAMO CC(=O)N1CCN(C(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000252517281 519581126 /nfs/dbraw/zinc/58/11/26/519581126.db2.gz DPQXAMLNYUGFKX-IKGGRYGDSA-N 1 1 373.497 1.989 50 0 FDAAMO CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccco1 ZINC000035360169 519605114 /nfs/dbraw/zinc/60/51/14/519605114.db2.gz JUBVDOBRUVSYHR-ZWKOTPCHSA-N 1 1 355.438 1.751 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035876719 519611559 /nfs/dbraw/zinc/61/15/59/519611559.db2.gz NTQMPZXGYNPKCJ-DNVCBOLYSA-N 1 1 351.450 1.830 50 0 FDAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000037222236 519630007 /nfs/dbraw/zinc/63/00/07/519630007.db2.gz MOCSUWCZKSGIMC-RDTXWAMCSA-N 1 1 353.422 1.959 50 0 FDAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000037222236 519630009 /nfs/dbraw/zinc/63/00/09/519630009.db2.gz MOCSUWCZKSGIMC-RDTXWAMCSA-N 1 1 353.422 1.959 50 0 FDAAMO CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC000089984944 520267070 /nfs/dbraw/zinc/26/70/70/520267070.db2.gz OULLXLKXHLQRLO-HOCLYGCPSA-N 1 1 366.531 1.979 50 0 FDAAMO CCCc1cc(CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)on1 ZINC000299791218 521364863 /nfs/dbraw/zinc/36/48/63/521364863.db2.gz CTDIXAXGXBECHC-UHFFFAOYSA-N 1 1 358.446 1.407 50 0 FDAAMO CCCn1ncc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1C ZINC000091486985 521672294 /nfs/dbraw/zinc/67/22/94/521672294.db2.gz JURMYGOEFUMMNQ-WOJBJXKFSA-N 1 1 363.550 1.279 50 0 FDAAMO CCCn1ncc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1C ZINC000091486985 521672297 /nfs/dbraw/zinc/67/22/97/521672297.db2.gz JURMYGOEFUMMNQ-WOJBJXKFSA-N 1 1 363.550 1.279 50 0 FDAAMO O=C(CNC(=O)c1cc(F)cc(F)c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000057155253 522018376 /nfs/dbraw/zinc/01/83/76/522018376.db2.gz BRQVAMXDQISUJO-UHFFFAOYSA-N 1 1 373.403 1.869 50 0 FDAAMO CCCc1c(C(=O)NCCC[NH+]2CCN(C)CC2)[nH]c(C)c1C(=O)OC ZINC000071945671 522139100 /nfs/dbraw/zinc/13/91/00/522139100.db2.gz VZMMYRFHQZIIQU-UHFFFAOYSA-N 1 1 364.490 1.430 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)C1 ZINC000072134490 522165872 /nfs/dbraw/zinc/16/58/72/522165872.db2.gz MBWXLMGEALDSOC-OAHLLOKOSA-N 1 1 352.438 1.663 50 0 FDAAMO Cn1cc(NC(=O)CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000072163379 522188832 /nfs/dbraw/zinc/18/88/32/522188832.db2.gz BOXADMINQLXDRV-LJQANCHMSA-N 1 1 355.486 1.998 50 0 FDAAMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(F)cc2)ccn1 ZINC000072169179 522197334 /nfs/dbraw/zinc/19/73/34/522197334.db2.gz QGQWUUFELMTTGR-HNNXBMFYSA-N 1 1 358.373 1.282 50 0 FDAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NC[C@@H](O)CO)Cc2ccccc2C1 ZINC000072171327 522200022 /nfs/dbraw/zinc/20/00/22/522200022.db2.gz JJEWXIGQTKYFCU-HXUWFJFHSA-N 1 1 368.477 1.168 50 0 FDAAMO Cc1cccc2cc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)c(C)nc12 ZINC000072174271 522202629 /nfs/dbraw/zinc/20/26/29/522202629.db2.gz LXLNGVJCUYRRGB-KRWDZBQOSA-N 1 1 352.438 1.544 50 0 FDAAMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000089943504 522205270 /nfs/dbraw/zinc/20/52/70/522205270.db2.gz DSFBKIHXWOWFMT-GXTWGEPZSA-N 1 1 363.483 1.648 50 0 FDAAMO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000058100025 522206279 /nfs/dbraw/zinc/20/62/79/522206279.db2.gz BSZOQVAIRDVUKC-TTZDDIAXSA-N 1 1 356.488 1.932 50 0 FDAAMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000058159832 522212583 /nfs/dbraw/zinc/21/25/83/522212583.db2.gz HAKQPXKZCGBVSX-AWEZNQCLSA-N 1 1 365.499 1.972 50 0 FDAAMO NC(=O)NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000058168401 522215065 /nfs/dbraw/zinc/21/50/65/522215065.db2.gz DFNTWCDMOPKJCH-GFCCVEGCSA-N 1 1 356.220 1.407 50 0 FDAAMO NC(=O)NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000058168401 522215070 /nfs/dbraw/zinc/21/50/70/522215070.db2.gz DFNTWCDMOPKJCH-GFCCVEGCSA-N 1 1 356.220 1.407 50 0 FDAAMO O=C(CNC(=O)c1ccccc1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000058182164 522218785 /nfs/dbraw/zinc/21/87/85/522218785.db2.gz FCOHMMBUOFMNKD-UHFFFAOYSA-N 1 1 367.449 1.930 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccccc1-c1nn[nH]n1 ZINC000072421382 522250332 /nfs/dbraw/zinc/25/03/32/522250332.db2.gz BLDORJVEPKLVAT-INIZCTEOSA-N 1 1 362.437 1.995 50 0 FDAAMO Cc1c(CN(C)[C@H]2C[N@H+](C3CSCCSC3)C[C@@H]2O)cnn1C ZINC000072427252 522260675 /nfs/dbraw/zinc/26/06/75/522260675.db2.gz WHJGSABYDVTHDI-HOTGVXAUSA-N 1 1 356.561 1.054 50 0 FDAAMO O=C(c1ccccc1N1CCCC1)N1C[C@H](O)[C@@H]([N@H+]2CCCOCC2)C1 ZINC000072432458 522269836 /nfs/dbraw/zinc/26/98/36/522269836.db2.gz HIIUYNFBFVBEFJ-OALUTQOASA-N 1 1 359.470 1.194 50 0 FDAAMO CCC[N@@H+](C)[C@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C[C@@H]1O ZINC000072434685 522271922 /nfs/dbraw/zinc/27/19/22/522271922.db2.gz DJARRXHEVRNGRI-OALUTQOASA-N 1 1 358.486 1.371 50 0 FDAAMO C[N@@H+](CCCN1CC2(CCN(C(=O)CO)CC2)OC1=O)C1CCCCC1 ZINC000072433856 522272928 /nfs/dbraw/zinc/27/29/28/522272928.db2.gz OTASLGUNUALMTO-UHFFFAOYSA-N 1 1 367.490 1.447 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1Nc1nc(-c2ccncc2)nc2c1cnn2C ZINC000072473265 522293468 /nfs/dbraw/zinc/29/34/68/522293468.db2.gz CMUGQNHWUXQJFF-HOTGVXAUSA-N 1 1 367.457 1.945 50 0 FDAAMO CN(C)Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCO4)C2)n1C ZINC000072474962 522296213 /nfs/dbraw/zinc/29/62/13/522296213.db2.gz FTAMRBHIQRSUHT-OAHLLOKOSA-N 1 1 357.458 1.985 50 0 FDAAMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000084733467 522815879 /nfs/dbraw/zinc/81/58/79/522815879.db2.gz JJZXTHDFEXEUID-INIZCTEOSA-N 1 1 361.446 1.137 50 0 FDAAMO CCS[C@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000075610590 522943419 /nfs/dbraw/zinc/94/34/19/522943419.db2.gz LOAMABXCLSQWMO-INIZCTEOSA-N 1 1 357.564 1.821 50 0 FDAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000078599498 523092137 /nfs/dbraw/zinc/09/21/37/523092137.db2.gz NJYVGLNAJUFLPB-ZDUSSCGKSA-N 1 1 374.407 1.777 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000077424852 523331848 /nfs/dbraw/zinc/33/18/48/523331848.db2.gz MMHAUSAAGVBULS-UHFFFAOYSA-N 1 1 356.426 1.325 50 0 FDAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3cc(=O)c(OC)c[nH]3)C2)CCC1=O ZINC000077505848 523366740 /nfs/dbraw/zinc/36/67/40/523366740.db2.gz DOYSYSRKGMQVNF-IBGZPJMESA-N 1 1 363.458 1.235 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H](C)O1 ZINC000055289710 523789452 /nfs/dbraw/zinc/78/94/52/523789452.db2.gz KJAYBKFTXZYRGL-IOASZLSFSA-N 1 1 359.467 1.372 50 0 FDAAMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000078771474 523829527 /nfs/dbraw/zinc/82/95/27/523829527.db2.gz NFMBGLBFSCVMFX-OAHLLOKOSA-N 1 1 356.488 1.701 50 0 FDAAMO C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CO)o3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091536630 523921475 /nfs/dbraw/zinc/92/14/75/523921475.db2.gz NVRAFQZNLVNKBA-QAPCUYQASA-N 1 1 365.474 1.075 50 0 FDAAMO C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CO)o3)C[C@H]2CCC(=O)[O-])CC1 ZINC000091536630 523921479 /nfs/dbraw/zinc/92/14/79/523921479.db2.gz NVRAFQZNLVNKBA-QAPCUYQASA-N 1 1 365.474 1.075 50 0 FDAAMO C[N@H+]1CCN2CCN(Cc3ccc(OCCn4ccnc4)cc3)C[C@H]2C1 ZINC000244678646 523930968 /nfs/dbraw/zinc/93/09/68/523930968.db2.gz IHMRZAUBQQJDQE-LJQANCHMSA-N 1 1 355.486 1.394 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082106277 524211055 /nfs/dbraw/zinc/21/10/55/524211055.db2.gz FSWVDYMLTZXBOD-UHFFFAOYSA-N 1 1 354.454 1.676 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082106277 524211061 /nfs/dbraw/zinc/21/10/61/524211061.db2.gz FSWVDYMLTZXBOD-UHFFFAOYSA-N 1 1 354.454 1.676 50 0 FDAAMO Cc1nsc(N2CCCN(C(=O)CCCC[NH+]3CCOCC3)CC2)n1 ZINC000173351201 524372332 /nfs/dbraw/zinc/37/23/32/524372332.db2.gz FBXFIZBCTSTQRG-UHFFFAOYSA-N 1 1 367.519 1.388 50 0 FDAAMO Cc1cccc(C[N@H+]2C[C@H](O)[C@@H](N3CCN(c4ccccn4)CC3)C2)c1 ZINC000019788960 524410170 /nfs/dbraw/zinc/41/01/70/524410170.db2.gz GRBAHNFGYCOMEE-PMACEKPBSA-N 1 1 352.482 1.757 50 0 FDAAMO CCn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cc1C ZINC000091410698 524698341 /nfs/dbraw/zinc/69/83/41/524698341.db2.gz FIBMWMVTPSLPHM-JKSUJKDBSA-N 1 1 356.474 1.980 50 0 FDAAMO CCn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)cc1C ZINC000091410698 524698351 /nfs/dbraw/zinc/69/83/51/524698351.db2.gz FIBMWMVTPSLPHM-JKSUJKDBSA-N 1 1 356.474 1.980 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@@H]2CO)CC1 ZINC000091382288 524699535 /nfs/dbraw/zinc/69/95/35/524699535.db2.gz AWRSJIPXEWVMGD-RTBURBONSA-N 1 1 371.481 1.751 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@@H]2CO)CC1 ZINC000091382288 524699541 /nfs/dbraw/zinc/69/95/41/524699541.db2.gz AWRSJIPXEWVMGD-RTBURBONSA-N 1 1 371.481 1.751 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@@H]2CO)CC1 ZINC000091382288 524699553 /nfs/dbraw/zinc/69/95/53/524699553.db2.gz AWRSJIPXEWVMGD-RTBURBONSA-N 1 1 371.481 1.751 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccnc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091493305 524717092 /nfs/dbraw/zinc/71/70/92/524717092.db2.gz JKZXZEGXYDAKBS-FQEVSTJZSA-N 1 1 356.470 1.631 50 0 FDAAMO Cn1c(C(N)=O)cc2c1CN(C(=O)[C@@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC000091505202 524717700 /nfs/dbraw/zinc/71/77/00/524717700.db2.gz KHDNSXUCIPNPLP-OAHLLOKOSA-N 1 1 358.486 1.663 50 0 FDAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(Cc3nc4ccccc4[nH]3)C2)CC1 ZINC000091493083 524717901 /nfs/dbraw/zinc/71/79/01/524717901.db2.gz ZMDYYYKWEASIGR-MSOLQXFVSA-N 1 1 371.529 1.631 50 0 FDAAMO CC(C)C(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091518665 524718984 /nfs/dbraw/zinc/71/89/84/524718984.db2.gz RXTFQCVOPAIQDA-QFBILLFUSA-N 1 1 369.509 1.849 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1CO ZINC000091626307 524746079 /nfs/dbraw/zinc/74/60/79/524746079.db2.gz YDULSKFUBIZCQD-HUUCEWRRSA-N 1 1 374.403 1.700 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091745177 524771051 /nfs/dbraw/zinc/77/10/51/524771051.db2.gz XHRQEOSZAFIHBI-YALNPMBYSA-N 1 1 352.500 1.467 50 0 FDAAMO Cc1c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)cnc2ccnn21 ZINC000091755490 524777545 /nfs/dbraw/zinc/77/75/45/524777545.db2.gz KDLNGDDFUIOETQ-DOTOQJQBSA-N 1 1 369.469 1.753 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)n(C)n1 ZINC000091769190 524779861 /nfs/dbraw/zinc/77/98/61/524779861.db2.gz XHXAAGXQYJUANG-UHFFFAOYSA-N 1 1 370.501 1.961 50 0 FDAAMO O=C(c1cccc2c1NCCC2)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091769776 524779929 /nfs/dbraw/zinc/77/99/29/524779929.db2.gz NBSHREZSPNPTCJ-IAGOWNOFSA-N 1 1 359.470 1.057 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(C)n1)CC2 ZINC000091819342 524790122 /nfs/dbraw/zinc/79/01/22/524790122.db2.gz NHFSWMOWAUVJQJ-UHFFFAOYSA-N 1 1 369.469 1.636 50 0 FDAAMO O=C(N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2)CC1 ZINC000091819681 524790577 /nfs/dbraw/zinc/79/05/77/524790577.db2.gz DHAZRZDYGJIJTB-MSOLQXFVSA-N 1 1 358.482 1.507 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091848890 524800454 /nfs/dbraw/zinc/80/04/54/524800454.db2.gz GRGMLFSPDQHQLO-ZWKOTPCHSA-N 1 1 351.516 1.822 50 0 FDAAMO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000091876764 524805820 /nfs/dbraw/zinc/80/58/20/524805820.db2.gz PCKRHOSZPZSCIO-INIZCTEOSA-N 1 1 370.497 1.949 50 0 FDAAMO CCc1ncc(C[N@H+]2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)cn1 ZINC000092037909 524833816 /nfs/dbraw/zinc/83/38/16/524833816.db2.gz SWTNDRJQVIHRIK-INIZCTEOSA-N 1 1 366.473 1.792 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[N@H+]3C[C@@H]4CC[NH+](C)C[C@]4(C(=O)[O-])C3)cc2c1 ZINC000092046276 524835536 /nfs/dbraw/zinc/83/55/36/524835536.db2.gz VMHAJBWFMKKSDP-YWZLYKJASA-N 1 1 371.437 1.375 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[NH+]3C[C@@H]4CC[N@H+](C)C[C@]4(C(=O)[O-])C3)cc2c1 ZINC000092046276 524835548 /nfs/dbraw/zinc/83/55/48/524835548.db2.gz VMHAJBWFMKKSDP-YWZLYKJASA-N 1 1 371.437 1.375 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@]4(C(=O)[O-])C3)cc2c1 ZINC000092046276 524835556 /nfs/dbraw/zinc/83/55/56/524835556.db2.gz VMHAJBWFMKKSDP-YWZLYKJASA-N 1 1 371.437 1.375 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)NCc3ccc(F)cc3)CC[N@H+]2C)CCC1=O ZINC000092066437 524838285 /nfs/dbraw/zinc/83/82/85/524838285.db2.gz CWIOZCAJFSDRSX-IBGZPJMESA-N 1 1 362.449 1.664 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@@H]1CO ZINC000092107632 524848974 /nfs/dbraw/zinc/84/89/74/524848974.db2.gz TVPIOSZQLPJTCY-CHWSQXEVSA-N 1 1 358.841 1.738 50 0 FDAAMO C[C@@H]1CN(C[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091587170 524972135 /nfs/dbraw/zinc/97/21/35/524972135.db2.gz MSEQUCXALZHGHE-IZZBFERCSA-N 1 1 362.514 1.853 50 0 FDAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000095355331 525028912 /nfs/dbraw/zinc/02/89/12/525028912.db2.gz SKHDXYFQFFSUFA-KRWDZBQOSA-N 1 1 353.488 1.115 50 0 FDAAMO Cc1cccc(=O)n1CCCNC(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095354323 525029689 /nfs/dbraw/zinc/02/96/89/525029689.db2.gz GLYMAMCQZWRUFN-KRWDZBQOSA-N 1 1 361.486 1.554 50 0 FDAAMO Cc1ccc([C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[NH+](C)C)cc1 ZINC000095358066 525031663 /nfs/dbraw/zinc/03/16/63/525031663.db2.gz OSXDTXXSQCOJDC-LJQANCHMSA-N 1 1 373.497 1.695 50 0 FDAAMO COc1ccc(F)c(C[N@H+]2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)c1 ZINC000095362934 525036844 /nfs/dbraw/zinc/03/68/44/525036844.db2.gz UXMMPDPLPLCBGD-DOTOQJQBSA-N 1 1 373.494 1.687 50 0 FDAAMO COc1ccc(F)c(C[N@@H+]2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)c1 ZINC000095362934 525036852 /nfs/dbraw/zinc/03/68/52/525036852.db2.gz UXMMPDPLPLCBGD-DOTOQJQBSA-N 1 1 373.494 1.687 50 0 FDAAMO Cc1nnnn1CCC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095361484 525038008 /nfs/dbraw/zinc/03/80/08/525038008.db2.gz LZYWHCQSNGKIDL-QZTJIDSGSA-N 1 1 354.458 1.495 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3cccnn3)C2)n1C ZINC000095366765 525042400 /nfs/dbraw/zinc/04/24/00/525042400.db2.gz YLTREUYIDZLDQB-AWEZNQCLSA-N 1 1 366.429 1.178 50 0 FDAAMO O=C(c1nc2ncccn2n1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095375672 525050171 /nfs/dbraw/zinc/05/01/71/525050171.db2.gz QWIYXPKVJGABOF-IAGOWNOFSA-N 1 1 362.437 1.861 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@@H]1CO ZINC000095382380 525054730 /nfs/dbraw/zinc/05/47/30/525054730.db2.gz MQOXDQSDKOXCBY-ZIAGYGMSSA-N 1 1 355.504 1.525 50 0 FDAAMO CCOc1ccc(NC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000095384696 525057720 /nfs/dbraw/zinc/05/77/20/525057720.db2.gz NLSRASHUCDDEHH-LJQANCHMSA-N 1 1 360.458 1.904 50 0 FDAAMO CC1=CC[N@H+](Cc2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)CC1 ZINC000095498676 525079710 /nfs/dbraw/zinc/07/97/10/525079710.db2.gz AUWKXKFHVUMMIS-FQEVSTJZSA-N 1 1 359.514 1.826 50 0 FDAAMO CC1=CC[N@@H+](Cc2ccc(OC[C@@H](O)CN3CCN(C)CC3)cc2)CC1 ZINC000095498676 525079717 /nfs/dbraw/zinc/07/97/17/525079717.db2.gz AUWKXKFHVUMMIS-FQEVSTJZSA-N 1 1 359.514 1.826 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)NCc1nc(-c2ncccn2)no1)[NH+](C)C ZINC000095500950 525083476 /nfs/dbraw/zinc/08/34/76/525083476.db2.gz ZUAKZUUQIULAGO-HNNXBMFYSA-N 1 1 352.398 1.754 50 0 FDAAMO O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095527161 525103749 /nfs/dbraw/zinc/10/37/49/525103749.db2.gz QGVVPHYWPHQDLH-RBUKOAKNSA-N 1 1 368.485 1.619 50 0 FDAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000095529930 525105687 /nfs/dbraw/zinc/10/56/87/525105687.db2.gz NCOCBKFWWFGSGH-INIZCTEOSA-N 1 1 370.453 1.892 50 0 FDAAMO CCS(=O)(=O)N(C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000095993634 525114144 /nfs/dbraw/zinc/11/41/44/525114144.db2.gz ITGNVIWHBGIJNC-UHFFFAOYSA-N 1 1 368.503 1.034 50 0 FDAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@@H](O)c3cccs3)CC2)no1 ZINC000085436944 525140222 /nfs/dbraw/zinc/14/02/22/525140222.db2.gz YKFXGIHEOGXHMN-CYBMUJFWSA-N 1 1 350.444 1.334 50 0 FDAAMO CS(=O)(=O)N1CCC[C@H](N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000089486461 525170290 /nfs/dbraw/zinc/17/02/90/525170290.db2.gz YMFPYSJAFCFNSU-KRWDZBQOSA-N 1 1 367.515 1.107 50 0 FDAAMO NS(=O)(=O)c1cccc2c1ccnc2C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000179444303 525583700 /nfs/dbraw/zinc/58/37/00/525583700.db2.gz MZDMQUQMIUKVDG-LBPRGKRZSA-N 1 1 374.466 1.096 50 0 FDAAMO COC(=O)c1ccc(F)c(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000170598134 525638255 /nfs/dbraw/zinc/63/82/55/525638255.db2.gz DHNBLJRYPDBZKQ-ZDUSSCGKSA-N 1 1 366.437 1.760 50 0 FDAAMO O=c1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)nc2ccc(Cl)cn12 ZINC000106174711 525652575 /nfs/dbraw/zinc/65/25/75/525652575.db2.gz ZEYDRYOUXGOAMK-ZDUSSCGKSA-N 1 1 358.833 1.852 50 0 FDAAMO Cc1oc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000108331415 525954006 /nfs/dbraw/zinc/95/40/06/525954006.db2.gz HOTSVOVFYALINK-AWEZNQCLSA-N 1 1 369.487 1.444 50 0 FDAAMO Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1N1CCNC1=O ZINC000091444857 526112948 /nfs/dbraw/zinc/11/29/48/526112948.db2.gz UQMSTRNRZWHYCA-QGZVFWFLSA-N 1 1 372.469 1.461 50 0 FDAAMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(c2nccs2)CC1 ZINC000171908490 526178940 /nfs/dbraw/zinc/17/89/40/526178940.db2.gz WNBQNETTWGCQJB-OAHLLOKOSA-N 1 1 367.519 1.476 50 0 FDAAMO O=C(CCc1cc2n(n1)CC[N@@H+](CCn1cc(Cl)cn1)C2)NC1CC1 ZINC000082147434 526583662 /nfs/dbraw/zinc/58/36/62/526583662.db2.gz UFCLUAYDXXZXBF-UHFFFAOYSA-N 1 1 362.865 1.460 50 0 FDAAMO O=C(CCc1cc2n(n1)CC[N@H+](CCn1cc(Cl)cn1)C2)NC1CC1 ZINC000082147434 526583665 /nfs/dbraw/zinc/58/36/65/526583665.db2.gz UFCLUAYDXXZXBF-UHFFFAOYSA-N 1 1 362.865 1.460 50 0 FDAAMO O=C1CCC2(CC[NH+](Cc3ncccn3)CC2)CN1[C@H]1CC[C@H](O)CC1 ZINC000243932134 526965459 /nfs/dbraw/zinc/96/54/59/526965459.db2.gz BTGBNRURYLFNBI-QAQDUYKDSA-N 1 1 358.486 1.985 50 0 FDAAMO O=C(Cn1nc(-c2ccco2)ccc1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079193877 527413674 /nfs/dbraw/zinc/41/36/74/527413674.db2.gz RXHGUMQUPZJMBG-DOTOQJQBSA-N 1 1 370.453 1.884 50 0 biogenic FDAAMO Nc1cc[nH+]c(N2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)n1 ZINC000091452269 527535910 /nfs/dbraw/zinc/53/59/10/527535910.db2.gz LEEJRASQAIQNMP-UHFFFAOYSA-N 1 1 365.445 1.614 50 0 FDAAMO OCC[NH+]1CCN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020725813 527553937 /nfs/dbraw/zinc/55/39/37/527553937.db2.gz REAYPUUMJYMKRY-NRFBVMONSA-N 1 1 352.519 1.190 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000089505731 527615575 /nfs/dbraw/zinc/61/55/75/527615575.db2.gz RRTMQMGHMADQJH-QUCCMNQESA-N 1 1 370.497 1.579 50 0 FDAAMO CCN1CC2(CC[NH+](CC(=O)N3CCOc4ccccc43)CC2)OC1=O ZINC000077407080 535444015 /nfs/dbraw/zinc/44/40/15/535444015.db2.gz VCEYGQCKBXXPSR-UHFFFAOYSA-N 1 1 359.426 1.719 50 0 FDAAMO CCOc1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2N)cc1 ZINC000065154829 535748635 /nfs/dbraw/zinc/74/86/35/535748635.db2.gz UIJIRZTXEABSAF-UHFFFAOYSA-N 1 1 356.430 1.462 50 0 FDAAMO CN(C)c1ccnc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230145811 536154889 /nfs/dbraw/zinc/15/48/89/536154889.db2.gz FAZGVHJNAMQNIK-HXUWFJFHSA-N 1 1 372.517 1.456 50 0 FDAAMO C[NH+]1CCN(c2cc(N3CCC[C@](CO)(CC4CC4)C3)nc(N)n2)CC1 ZINC000092038557 536419626 /nfs/dbraw/zinc/41/96/26/536419626.db2.gz IGBZLNSARJREOD-IBGZPJMESA-N 1 1 360.506 1.190 50 0 FDAAMO COc1cc(N2CCC[C@@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)ncn1 ZINC000095389359 536828284 /nfs/dbraw/zinc/82/82/84/536828284.db2.gz PHNWMKHFHHNMDO-CQSZACIVSA-N 1 1 368.445 1.551 50 0 FDAAMO COc1ccccc1NC(=O)CCN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000244816857 537081149 /nfs/dbraw/zinc/08/11/49/537081149.db2.gz SPSCBSGUXRXYRY-UHFFFAOYSA-N 1 1 370.457 1.527 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)CC1 ZINC000252504490 537250717 /nfs/dbraw/zinc/25/07/17/537250717.db2.gz VJMJPWRXDXIZRZ-UHFFFAOYSA-N 1 1 372.513 1.179 50 0 FDAAMO Cc1noc([C@@]23CN(Cc4cccnc4)C[C@@H]2CC[N@@H+](CCCO)C3)n1 ZINC000257189657 537252923 /nfs/dbraw/zinc/25/29/23/537252923.db2.gz JOBWORUBFQVRKK-HKUYNNGSSA-N 1 1 357.458 1.231 50 0 FDAAMO Cc1noc([C@@]23C[N@H+](Cc4cccnc4)C[C@@H]2CCN(CCCO)C3)n1 ZINC000257189657 537252925 /nfs/dbraw/zinc/25/29/25/537252925.db2.gz JOBWORUBFQVRKK-HKUYNNGSSA-N 1 1 357.458 1.231 50 0 FDAAMO Cc1noc([C@@]23C[N@@H+](Cc4cccnc4)C[C@@H]2CCN(CCCO)C3)n1 ZINC000257189657 537252926 /nfs/dbraw/zinc/25/29/26/537252926.db2.gz JOBWORUBFQVRKK-HKUYNNGSSA-N 1 1 357.458 1.231 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCOC[C@@H]1Oc1ccc(C)nc1 ZINC000220530370 537490439 /nfs/dbraw/zinc/49/04/39/537490439.db2.gz DZAXPZJYOVQXFM-SJORKVTESA-N 1 1 358.442 1.892 50 0 FDAAMO CSCC[C@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000220719668 537493207 /nfs/dbraw/zinc/49/32/07/537493207.db2.gz JLIHTSIJWHPMCC-KRWDZBQOSA-N 1 1 364.515 1.374 50 0 FDAAMO CSCC[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000220719668 537493217 /nfs/dbraw/zinc/49/32/17/537493217.db2.gz JLIHTSIJWHPMCC-KRWDZBQOSA-N 1 1 364.515 1.374 50 0 FDAAMO Cc1cc(C)n(CCNC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c(=O)n1 ZINC000223334897 537524050 /nfs/dbraw/zinc/52/40/50/537524050.db2.gz OAMIWQDQKZGZFT-GOSISDBHSA-N 1 1 354.454 1.466 50 0 FDAAMO Cn1cc(N2CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC2)cn1 ZINC000225847172 537561556 /nfs/dbraw/zinc/56/15/56/537561556.db2.gz CSAUOVFBFHPXTH-UHFFFAOYSA-N 1 1 353.467 1.083 50 0 FDAAMO Nc1nc(NC2CC[NH+](Cc3cccnc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000244678484 537649930 /nfs/dbraw/zinc/64/99/30/537649930.db2.gz IEFPTSNEDOIAPE-FZNQNYSPSA-N 1 1 354.458 1.769 50 0 FDAAMO Cc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)cc1 ZINC000244872808 537654347 /nfs/dbraw/zinc/65/43/47/537654347.db2.gz WEQZPJVAJIOPMY-UHFFFAOYSA-N 1 1 354.454 1.787 50 0 FDAAMO Cn1cc(C[N@@H+]2CCC[C@@H](OCc3noc(C4CCOCC4)n3)C2)cn1 ZINC000409421395 537850702 /nfs/dbraw/zinc/85/07/02/537850702.db2.gz DJFNWZCCAZJZFM-MRXNPFEDSA-N 1 1 361.446 1.878 50 0 FDAAMO Cn1cc(C[N@H+]2CCC[C@@H](OCc3noc(C4CCOCC4)n3)C2)cn1 ZINC000409421395 537850709 /nfs/dbraw/zinc/85/07/09/537850709.db2.gz DJFNWZCCAZJZFM-MRXNPFEDSA-N 1 1 361.446 1.878 50 0 FDAAMO O=C(NCc1c[nH]nc1-c1ccc(F)cc1)N1CC[NH+](CCCO)CC1 ZINC000426647371 538426121 /nfs/dbraw/zinc/42/61/21/538426121.db2.gz UTMIALLLRHFLLF-UHFFFAOYSA-N 1 1 361.421 1.425 50 0 FDAAMO CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000584899257 551567017 /nfs/dbraw/zinc/56/70/17/551567017.db2.gz QUEPOVXCZFGBMZ-UHFFFAOYSA-N 1 1 365.865 1.814 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(-c2ncc(F)c(OC)n2)cc1 ZINC000584902821 551567576 /nfs/dbraw/zinc/56/75/76/551567576.db2.gz DPKRXRLLJIHKNP-HOTGVXAUSA-N 1 1 374.416 1.740 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(=O)n(-c2ccccc2)n1C ZINC000215670646 568082957 /nfs/dbraw/zinc/08/29/57/568082957.db2.gz GXHRXGSRPJCDPI-OAHLLOKOSA-N 1 1 352.442 1.982 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000526052331 570685889 /nfs/dbraw/zinc/68/58/89/570685889.db2.gz BNLRAXSQDBEUKR-HNNXBMFYSA-N 1 1 355.398 1.213 50 0 FDAAMO O=S(=O)(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cnn(CC(F)F)c1 ZINC000187232192 570874168 /nfs/dbraw/zinc/87/41/68/570874168.db2.gz QVTSXLDJATYBLX-ZDUSSCGKSA-N 1 1 362.446 1.691 50 0 FDAAMO CC(C)C[N@H+]1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 ZINC000084678068 571096249 /nfs/dbraw/zinc/09/62/49/571096249.db2.gz PUMIZIYLDDSIAN-INIZCTEOSA-N 1 1 371.485 1.515 50 0 FDAAMO CN(Cc1ccco1)C(=O)[C@]12C[N@@H+](Cc3ccnn3C)C[C@@H]1COCC2 ZINC000685940420 571099900 /nfs/dbraw/zinc/09/99/00/571099900.db2.gz KOTKOZSECWYXCQ-DNVCBOLYSA-N 1 1 358.442 1.510 50 0 FDAAMO Cc1c[nH]c(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1 ZINC000426635627 571105586 /nfs/dbraw/zinc/10/55/86/571105586.db2.gz WYVWKPYMPRELQY-OAHLLOKOSA-N 1 1 359.478 1.058 50 0 FDAAMO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)n1 ZINC000426635627 571105588 /nfs/dbraw/zinc/10/55/88/571105588.db2.gz WYVWKPYMPRELQY-OAHLLOKOSA-N 1 1 359.478 1.058 50 0 FDAAMO CN(CCO)c1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000244778745 571116200 /nfs/dbraw/zinc/11/62/00/571116200.db2.gz PVUWXHVCWXXTTH-IBGZPJMESA-N 1 1 368.481 1.905 50 0 FDAAMO CN(CCO)c1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000244778745 571116202 /nfs/dbraw/zinc/11/62/02/571116202.db2.gz PVUWXHVCWXXTTH-IBGZPJMESA-N 1 1 368.481 1.905 50 0 FDAAMO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC000244882701 571119131 /nfs/dbraw/zinc/11/91/31/571119131.db2.gz XWUJDWGWTPWYSM-CQSZACIVSA-N 1 1 369.469 1.465 50 0 FDAAMO Cc1cn2c(C(=O)N3CC[N@H+](CC(C)C)[C@H](CCO)C3)csc2n1 ZINC000244898915 571119805 /nfs/dbraw/zinc/11/98/05/571119805.db2.gz ZDXAIFZZGUFQPT-CQSZACIVSA-N 1 1 350.488 1.869 50 0 FDAAMO Cc1cc(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)ccc1F ZINC000426618375 571130511 /nfs/dbraw/zinc/13/05/11/571130511.db2.gz QAVMPAMIZSGESW-AWEZNQCLSA-N 1 1 358.417 2.221 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000426376389 571216738 /nfs/dbraw/zinc/21/67/38/571216738.db2.gz OBALVBRREHTLPR-QGZVFWFLSA-N 1 1 361.490 1.272 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cn1 ZINC000426429829 571224507 /nfs/dbraw/zinc/22/45/07/571224507.db2.gz PFHVVBVAKXDORB-QGZVFWFLSA-N 1 1 373.505 1.243 50 0 FDAAMO CCC(=O)NCc1cc2n(n1)CCN(Cc1[nH+]cc(C)c(OC)c1C)C2 ZINC000426498370 571228591 /nfs/dbraw/zinc/22/85/91/571228591.db2.gz DBRIWFISQTWKCK-UHFFFAOYSA-N 1 1 357.458 1.946 50 0 FDAAMO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1n[nH]c2c1CCCCC2 ZINC000426506882 571228911 /nfs/dbraw/zinc/22/89/11/571228911.db2.gz XCJBZAWQLNXRIZ-AWEZNQCLSA-N 1 1 356.474 1.659 50 0 FDAAMO Cc1ccc(OC2CN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)cc1 ZINC000426510198 571229214 /nfs/dbraw/zinc/22/92/14/571229214.db2.gz UVAZCIKUHFYPHL-INIZCTEOSA-N 1 1 374.485 1.355 50 0 FDAAMO Cc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)c2)nn1 ZINC000426525788 571230198 /nfs/dbraw/zinc/23/01/98/571230198.db2.gz COLQTYASILMMHY-KRWDZBQOSA-N 1 1 367.453 1.379 50 0 FDAAMO Cc1nn(C)c(C)c1CN(C(=O)NCCC[N@H+]1CCC[C@@H](O)C1)C1CC1 ZINC000426593564 571232693 /nfs/dbraw/zinc/23/26/93/571232693.db2.gz FDGFQOVRPOJLNS-QGZVFWFLSA-N 1 1 363.506 1.558 50 0 FDAAMO O=C([C@H]1[NH2+]CCc2nc[nH]c21)N1CCN(c2nc3ccccc3s2)CC1 ZINC000426685299 571235002 /nfs/dbraw/zinc/23/50/02/571235002.db2.gz MECNJAABDYKWDZ-INIZCTEOSA-N 1 1 368.466 1.555 50 0 FDAAMO Cc1ccc(C)c(OCCCN(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000670444014 571350105 /nfs/dbraw/zinc/35/01/05/571350105.db2.gz DWNWPWRHBGMYTA-SFHVURJKSA-N 1 1 362.518 1.960 50 0 FDAAMO Cc1ccsc1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000670455381 571353717 /nfs/dbraw/zinc/35/37/17/571353717.db2.gz BWJWDHASAUFBQK-UHFFFAOYSA-N 1 1 356.513 1.828 50 0 FDAAMO CCc1ccc(C[NH+]2CCN(CC(=O)N3CCO[C@@H](C)C3)CC2)s1 ZINC000172572637 672068845 /nfs/dbraw/zinc/06/88/45/672068845.db2.gz XWEILDHCIWNRHN-HNNXBMFYSA-N 1 1 351.516 1.675 50 0 FDAAMO O=C(Cc1ccc(Cl)cc1)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257180156 672629785 /nfs/dbraw/zinc/62/97/85/672629785.db2.gz DGYOKUWIJBLVSN-WMLDXEAASA-N 1 1 352.862 1.470 50 0 FDAAMO CCN1CCC([N@H+]2C[C@@H](CO)[C@H](c3nc(-c4ccncc4)no3)C2)CC1 ZINC000257187077 793957058 /nfs/dbraw/zinc/95/70/58/793957058.db2.gz LHBJKFKOTBZJKI-DOTOQJQBSA-N 1 1 357.458 1.624 50 0 FDAAMO C[N@H+](CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@H]1CCOC1 ZINC000178367101 794585657 /nfs/dbraw/zinc/58/56/57/794585657.db2.gz PPHDAWWIMUGMEY-GOSISDBHSA-N 1 1 373.497 1.234 50 0 FDAAMO CC[N@@H+](CCNC(=O)[C@@H]1CCCCC2N=NC(=O)N21)Cc1ccccc1 ZINC000675012819 795215302 /nfs/dbraw/zinc/21/53/02/795215302.db2.gz UAVNIDBVBCLDKA-INIZCTEOSA-N 1 1 357.458 1.890 50 0 FDAAMO C[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000334111010 801125911 /nfs/dbraw/zinc/12/59/11/801125911.db2.gz BTRCTPZTEVUFQE-NVXWUHKLSA-N 1 1 353.470 1.653 50 0 FDAAMO C[C@@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000334111010 801125915 /nfs/dbraw/zinc/12/59/15/801125915.db2.gz BTRCTPZTEVUFQE-NVXWUHKLSA-N 1 1 353.470 1.653 50 0 FDAAMO COc1ccc(C[N@H+]2CCc3nc(N(C)C)[nH]c(=O)c3CC2)cc1OC ZINC000169751625 864483975 /nfs/dbraw/zinc/48/39/75/864483975.db2.gz BUAQOSMGIIKXBK-UHFFFAOYSA-N 1 1 358.442 1.454 50 0 FDAAMO Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCc2ccccc2)n1 ZINC000012433251 881957178 /nfs/dbraw/zinc/95/71/78/881957178.db2.gz HGZJFWBEBDBNGB-QGZVFWFLSA-N 1 1 369.469 1.110 50 0 FDAAMO Cc1c[nH]c(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCc2ccccc2)n1 ZINC000012433251 881957186 /nfs/dbraw/zinc/95/71/86/881957186.db2.gz HGZJFWBEBDBNGB-QGZVFWFLSA-N 1 1 369.469 1.110 50 0 FDAAMO C[N@H+]1CCCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC1 ZINC000012308636 877960992 /nfs/dbraw/zinc/96/09/92/877960992.db2.gz WRWSWXQJJYJJOF-UHFFFAOYSA-N 1 1 353.470 1.981 50 0 FDAAMO CNC(=O)C[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000823819876 922074396 /nfs/dbraw/zinc/07/43/96/922074396.db2.gz OBAKWOQEFKIBDM-VIFPVBQESA-N 1 1 371.231 1.852 50 0 FDAAMO O=C(CCn1cccn1)N1CCC2(CC1)C[N@H+]([C@H]1CCSC1)CCO2 ZINC000827921038 924776166 /nfs/dbraw/zinc/77/61/66/924776166.db2.gz GBAVLKZNBYXFEV-INIZCTEOSA-N 1 1 364.515 1.472 50 0 FDAAMO CS(=O)(=O)CCC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000827939371 924791777 /nfs/dbraw/zinc/79/17/77/924791777.db2.gz ZIESHRGAOSJNQR-UHFFFAOYSA-N 1 1 350.484 1.123 50 0 FDAAMO CS(=O)(=O)CCC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000827939371 924791783 /nfs/dbraw/zinc/79/17/83/924791783.db2.gz ZIESHRGAOSJNQR-UHFFFAOYSA-N 1 1 350.484 1.123 50 0 FDAAMO O=C(CCc1cn[nH]c1)N1CCOC2(CC[NH+](Cc3cncnc3)CC2)C1 ZINC000827969783 924797357 /nfs/dbraw/zinc/79/73/57/924797357.db2.gz PKRHELBIKHJYKL-UHFFFAOYSA-N 1 1 370.457 1.026 50 0 FDAAMO NC(=O)C1(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CCCC1 ZINC000828000362 924803062 /nfs/dbraw/zinc/80/30/62/924803062.db2.gz AJYQNIAMGXHZQQ-MRXNPFEDSA-N 1 1 362.449 1.887 50 0 FDAAMO NC(=O)C1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CCCC1 ZINC000828000362 924803070 /nfs/dbraw/zinc/80/30/70/924803070.db2.gz AJYQNIAMGXHZQQ-MRXNPFEDSA-N 1 1 362.449 1.887 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000828057194 924817796 /nfs/dbraw/zinc/81/77/96/924817796.db2.gz NNQJHHYCVXBRJT-UHFFFAOYSA-N 1 1 372.425 1.458 50 0 FDAAMO COCCN1C(=O)N(C)C(=O)[C@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000581782923 927575246 /nfs/dbraw/zinc/57/52/46/927575246.db2.gz JTBCPUFZZVYULH-QGZVFWFLSA-N 1 1 353.369 1.450 50 0 FDAAMO Cn1nccc1C(=O)N1CC([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC000581794342 927595032 /nfs/dbraw/zinc/59/50/32/927595032.db2.gz AKRWBBKXODWPCB-UHFFFAOYSA-N 1 1 354.454 1.926 50 0 FDAAMO Cc1ncoc1C(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803118 927598372 /nfs/dbraw/zinc/59/83/72/927598372.db2.gz SGQPVXMVEZGCLA-INIZCTEOSA-N 1 1 362.474 1.242 50 0 FDAAMO Cc1c[nH+]c(C[C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1CC1CC1 ZINC000581806069 927602326 /nfs/dbraw/zinc/60/23/26/927602326.db2.gz RZZOPWNSSMBMTC-HNNXBMFYSA-N 1 1 363.487 1.588 50 0 FDAAMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000585138475 944426194 /nfs/dbraw/zinc/42/61/94/944426194.db2.gz UWXGCXIVCPSQCB-CJNGLKHVSA-N 1 1 352.442 1.813 50 0 FDAAMO Cc1cccc(CN2CC[N@H+](Cc3cccc4nonc43)C[C@H]2CCO)n1 ZINC000036385847 957050154 /nfs/dbraw/zinc/05/01/54/957050154.db2.gz NKPFZRWUCLXYHD-GOSISDBHSA-N 1 1 367.453 1.995 50 0 FDAAMO Cc1cccc(CN2CC[N@@H+](Cc3cccc4nonc43)C[C@H]2CCO)n1 ZINC000036385847 957050168 /nfs/dbraw/zinc/05/01/68/957050168.db2.gz NKPFZRWUCLXYHD-GOSISDBHSA-N 1 1 367.453 1.995 50 0 FDAAMO CNC(=O)COc1ccccc1C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000952845770 960141896 /nfs/dbraw/zinc/14/18/96/960141896.db2.gz QUOATNXKSBIGFC-AWEZNQCLSA-N 1 1 355.442 1.563 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000952869451 960211579 /nfs/dbraw/zinc/21/15/79/960211579.db2.gz KIYTZPZYJLSAOK-SFHVURJKSA-N 1 1 358.486 1.096 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)CCCN2CCCCC2=O)C[C@H]1CCO ZINC000952962741 960245281 /nfs/dbraw/zinc/24/52/81/960245281.db2.gz HEEOHFZZTOYMBD-QGZVFWFLSA-N 1 1 353.507 1.330 50 0 FDAAMO Cn1cc(CN(C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)C2CCCCC2)cn1 ZINC000952964396 960247462 /nfs/dbraw/zinc/24/74/62/960247462.db2.gz LQXMDALMWFTFKQ-INIZCTEOSA-N 1 1 361.490 1.279 50 0 FDAAMO Cn1cc(CN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)C2CCCCC2)cn1 ZINC000952964396 960247473 /nfs/dbraw/zinc/24/74/73/960247473.db2.gz LQXMDALMWFTFKQ-INIZCTEOSA-N 1 1 361.490 1.279 50 0 FDAAMO COCC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000952966188 960252815 /nfs/dbraw/zinc/25/28/15/960252815.db2.gz GELTZLPQXUMQBI-OAHLLOKOSA-N 1 1 356.488 1.592 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000952969305 960260418 /nfs/dbraw/zinc/26/04/18/960260418.db2.gz SQNQKKQIEZICOB-CQSZACIVSA-N 1 1 353.850 1.170 50 0 FDAAMO COc1ccc(NC(=O)C(C)C)c(NC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000952969318 960261779 /nfs/dbraw/zinc/26/17/79/960261779.db2.gz SRSSSNZRTBHSAT-INIZCTEOSA-N 1 1 357.414 1.838 50 0 FDAAMO COC[C@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000952969788 960262819 /nfs/dbraw/zinc/26/28/19/960262819.db2.gz AWWFUJJFRIPCHT-INIZCTEOSA-N 1 1 359.536 1.540 50 0 FDAAMO COc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952975491 960270349 /nfs/dbraw/zinc/27/03/49/960270349.db2.gz YVBUDWVJNRGWBY-WMZOPIPTSA-N 1 1 359.470 1.946 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCC2)C1 ZINC000952986957 960311099 /nfs/dbraw/zinc/31/10/99/960311099.db2.gz CEHWOLIEIRJWPS-OAHLLOKOSA-N 1 1 361.461 1.951 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000095365613 1013821133 /nfs/dbraw/zinc/82/11/33/1013821133.db2.gz NLDZOMFJXIRDER-GOSISDBHSA-N 1 1 362.433 1.639 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000095365613 1013821142 /nfs/dbraw/zinc/82/11/42/1013821142.db2.gz NLDZOMFJXIRDER-GOSISDBHSA-N 1 1 362.433 1.639 50 0 FDAAMO CC(=O)Nc1ccc(C[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 ZINC000190991852 178034662 /nfs/dbraw/zinc/03/46/62/178034662.db2.gz UKAPQXWZNFEUJI-UHFFFAOYSA-N 1 1 365.499 1.340 50 0 FDAAMO NC(=O)C[C@@H](c1cccnc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253412538 210216066 /nfs/dbraw/zinc/21/60/66/210216066.db2.gz RHHIYFHCDOYDGP-HNNXBMFYSA-N 1 1 357.410 1.734 50 0 FDAAMO Cc1ncn(C)c1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000299795212 210036010 /nfs/dbraw/zinc/03/60/10/210036010.db2.gz OBMLIICECJDWCP-BSLVTKGXSA-N 1 1 365.481 1.026 50 0 FDAAMO COc1ccc(-n2cc([C@H](C)NC(=O)CC[NH+]3CCN(C)CC3)cn2)cc1 ZINC000299795985 210035429 /nfs/dbraw/zinc/03/54/29/210035429.db2.gz LMMKKXMWJUIRGM-INIZCTEOSA-N 1 1 371.485 1.696 50 0 FDAAMO Cc1ccc([C@H](C)CC[N@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)o1 ZINC000299788726 210031733 /nfs/dbraw/zinc/03/17/33/210031733.db2.gz XMLFAIMYOBQARW-CYBMUJFWSA-N 1 1 366.487 1.843 50 0 FDAAMO Cc1cc(C)n2nc(CC(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)nc2n1 ZINC000299787916 210028356 /nfs/dbraw/zinc/02/83/56/210028356.db2.gz TZBAIBMJHVTPQX-KRWDZBQOSA-N 1 1 364.453 1.457 50 0 FDAAMO CN(Cc1cc(C2CC2)on1)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000299780718 210024591 /nfs/dbraw/zinc/02/45/91/210024591.db2.gz BGYNMOTWYJVQEB-ZDUSSCGKSA-N 1 1 359.430 1.887 50 0 FDAAMO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000299784379 210026930 /nfs/dbraw/zinc/02/69/30/210026930.db2.gz HRKUQQFDIYWTBL-HOTGVXAUSA-N 1 1 354.472 1.074 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000299784379 210026935 /nfs/dbraw/zinc/02/69/35/210026935.db2.gz HRKUQQFDIYWTBL-HOTGVXAUSA-N 1 1 354.472 1.074 50 0 FDAAMO CNC(=O)c1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)ccc1OC ZINC000299770897 210016873 /nfs/dbraw/zinc/01/68/73/210016873.db2.gz SJOQHEYGKOITGS-CQSZACIVSA-N 1 1 364.446 1.023 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cn4cccnc4n3)cc2C1 ZINC000299767562 210014257 /nfs/dbraw/zinc/01/42/57/210014257.db2.gz HMCCHFRQKLTVEN-UHFFFAOYSA-N 1 1 353.430 1.472 50 0 FDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299762726 210013894 /nfs/dbraw/zinc/01/38/94/210013894.db2.gz YQLIHGHTFDLOKO-ZFWWWQNUSA-N 1 1 359.430 1.613 50 0 FDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299762726 210013898 /nfs/dbraw/zinc/01/38/98/210013898.db2.gz YQLIHGHTFDLOKO-ZFWWWQNUSA-N 1 1 359.430 1.613 50 0 FDAAMO COc1c[nH]c(C[N@@H+](C)CCNc2cc([C@@H]3CCOC3)ncn2)cc1=O ZINC000299758440 210011060 /nfs/dbraw/zinc/01/10/60/210011060.db2.gz PRWHKEDTICYTGR-CYBMUJFWSA-N 1 1 359.430 1.634 50 0 FDAAMO CCn1nc(CO)c2c1CC[N@@H+](C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756774 210009635 /nfs/dbraw/zinc/00/96/35/210009635.db2.gz FMFSKBKGHPYUSV-HNNXBMFYSA-N 1 1 354.454 1.807 50 0 FDAAMO Cn1nc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc2)ccc1=O ZINC000534633459 540392524 /nfs/dbraw/zinc/39/25/24/540392524.db2.gz INWKORQJNNVFPT-QGZVFWFLSA-N 1 1 370.453 1.024 50 0 FDAAMO O=S(=O)(C1CC1)N1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000063882314 212035382 /nfs/dbraw/zinc/03/53/82/212035382.db2.gz QKTIRSCAPCWDOH-UHFFFAOYSA-N 1 1 367.519 1.783 50 0 FDAAMO OCc1ccccc1CN1CCN(C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063833898 212033755 /nfs/dbraw/zinc/03/37/55/212033755.db2.gz LPLSGARISPIJIF-FGZHOGPDSA-N 1 1 373.541 1.676 50 0 FDAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000059983203 212019027 /nfs/dbraw/zinc/01/90/27/212019027.db2.gz HNKIPPSQNOJPET-UHFFFAOYSA-N 1 1 354.410 1.697 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@H+](C)C3CCN(C)CC3)C2=O)c1 ZINC000012707794 220019645 /nfs/dbraw/zinc/01/96/45/220019645.db2.gz ZJOFRRWBFLWOCB-OAQYLSRUSA-N 1 1 359.514 1.875 50 0 FDAAMO COc1cccc(-c2cc(CC(=O)NCCC[NH+]3CCOCC3)no2)c1 ZINC000012865250 220036879 /nfs/dbraw/zinc/03/68/79/220036879.db2.gz QFRUMQYORNODLB-UHFFFAOYSA-N 1 1 359.426 1.731 50 0 FDAAMO Cc1csc(N2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 ZINC000058248695 212000850 /nfs/dbraw/zinc/00/08/50/212000850.db2.gz PMOYSRIERXWUDP-ZDUSSCGKSA-N 1 1 367.519 1.976 50 0 FDAAMO Cc1csc(N2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 ZINC000058248695 212000852 /nfs/dbraw/zinc/00/08/52/212000852.db2.gz PMOYSRIERXWUDP-ZDUSSCGKSA-N 1 1 367.519 1.976 50 0 FDAAMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981687 220048475 /nfs/dbraw/zinc/04/84/75/220048475.db2.gz KPQHXGMMDMSOKR-ZIAGYGMSSA-N 1 1 369.473 1.932 50 0 FDAAMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981687 220048476 /nfs/dbraw/zinc/04/84/76/220048476.db2.gz KPQHXGMMDMSOKR-ZIAGYGMSSA-N 1 1 369.473 1.932 50 0 FDAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCC1 ZINC000017178467 220210286 /nfs/dbraw/zinc/21/02/86/220210286.db2.gz SMRSCAQAXDAKQP-SFHVURJKSA-N 1 1 359.470 1.625 50 0 FDAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)NC1CCCC1 ZINC000017178467 220210290 /nfs/dbraw/zinc/21/02/90/220210290.db2.gz SMRSCAQAXDAKQP-SFHVURJKSA-N 1 1 359.470 1.625 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000286165013 183003367 /nfs/dbraw/zinc/00/33/67/183003367.db2.gz YFFYCECIWPHTEP-JSGCOSHPSA-N 1 1 354.472 1.745 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000286165013 183003368 /nfs/dbraw/zinc/00/33/68/183003368.db2.gz YFFYCECIWPHTEP-JSGCOSHPSA-N 1 1 354.472 1.745 50 0 FDAAMO CC(C)[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)[NH+]1CCOCC1 ZINC000022510650 211352547 /nfs/dbraw/zinc/35/25/47/211352547.db2.gz JIKPTVCIAMWGJY-SFHVURJKSA-N 1 1 359.470 1.900 50 0 FDAAMO CC[N@@H+]1CCc2nc(NC(=O)CNC(=O)COc3ccccc3)sc2C1 ZINC000021296448 211310915 /nfs/dbraw/zinc/31/09/15/211310915.db2.gz GSMKFYWYOQTVFF-UHFFFAOYSA-N 1 1 374.466 1.655 50 0 FDAAMO CC[N@H+]1CCc2nc(NC(=O)CNC(=O)COc3ccccc3)sc2C1 ZINC000021296448 211310921 /nfs/dbraw/zinc/31/09/21/211310921.db2.gz GSMKFYWYOQTVFF-UHFFFAOYSA-N 1 1 374.466 1.655 50 0 FDAAMO O=C1C[C@@H](N2CC[NH+](C[C@@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 ZINC000019363923 211218608 /nfs/dbraw/zinc/21/86/08/211218608.db2.gz YFFUAAZLPPQPTP-ZWKOTPCHSA-N 1 1 357.454 1.111 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc32)C[C@H](C)O1 ZINC000014077407 211071794 /nfs/dbraw/zinc/07/17/94/211071794.db2.gz ROTFGMUSMABANP-OKILXGFUSA-N 1 1 372.469 1.551 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc32)C[C@H](C)O1 ZINC000014077407 211071790 /nfs/dbraw/zinc/07/17/90/211071790.db2.gz ROTFGMUSMABANP-OKILXGFUSA-N 1 1 372.469 1.551 50 0 FDAAMO Cc1ccc(C)c(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000013678554 211048390 /nfs/dbraw/zinc/04/83/90/211048390.db2.gz VAXSQPVMEGRKCE-HNNXBMFYSA-N 1 1 353.488 1.232 50 0 FDAAMO Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)=[NH+]N4C)n(C)c2=O)c1 ZINC000010387146 210369926 /nfs/dbraw/zinc/36/99/26/210369926.db2.gz UGSCDXSRKHWZKF-UHFFFAOYSA-N 1 1 352.398 1.079 50 0 FDAAMO Cc1ccn2c(=O)cc(C[N@H+]3CC=C(c4cnn(CCO)c4)CC3)nc2c1 ZINC000065427329 221218979 /nfs/dbraw/zinc/21/89/79/221218979.db2.gz CSGOCVGZVGDHHC-UHFFFAOYSA-N 1 1 365.437 1.481 50 0 FDAAMO Cc1ccn2c(=O)cc(C[N@@H+]3CC=C(c4cnn(CCO)c4)CC3)nc2c1 ZINC000065427329 221218982 /nfs/dbraw/zinc/21/89/82/221218982.db2.gz CSGOCVGZVGDHHC-UHFFFAOYSA-N 1 1 365.437 1.481 50 0 FDAAMO C[NH2+][C@@H](CO)C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067457910 221254926 /nfs/dbraw/zinc/25/49/26/221254926.db2.gz MLRUXSQFCCPGGR-HNNXBMFYSA-N 1 1 369.400 1.474 50 0 FDAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000067622752 221264248 /nfs/dbraw/zinc/26/42/48/221264248.db2.gz MZBMQJBSEJCEAP-UHFFFAOYSA-N 1 1 354.389 1.881 50 0 FDAAMO COc1cc2c(cc1C[NH+]1CCN(c3cncc(C(N)=O)n3)CC1)CCC2 ZINC000067713138 221275444 /nfs/dbraw/zinc/27/54/44/221275444.db2.gz LSRFKEAEWQRAJQ-UHFFFAOYSA-N 1 1 367.453 1.395 50 0 FDAAMO CC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@H+]3C)c1C ZINC000067726603 221277818 /nfs/dbraw/zinc/27/78/18/221277818.db2.gz LZZCEMSZJYANQO-UHFFFAOYSA-N 1 1 360.458 1.261 50 0 FDAAMO CC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1C ZINC000067726603 221277819 /nfs/dbraw/zinc/27/78/19/221277819.db2.gz LZZCEMSZJYANQO-UHFFFAOYSA-N 1 1 360.458 1.261 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1cn3cc(Cl)ccc3n1)CC2 ZINC000067678981 221271051 /nfs/dbraw/zinc/27/10/51/221271051.db2.gz JUEXEYGUWJPXFG-UHFFFAOYSA-N 1 1 361.877 1.840 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)C1 ZINC000067678981 221271054 /nfs/dbraw/zinc/27/10/54/221271054.db2.gz JUEXEYGUWJPXFG-UHFFFAOYSA-N 1 1 361.877 1.840 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)C1 ZINC000067678981 221271056 /nfs/dbraw/zinc/27/10/56/221271056.db2.gz JUEXEYGUWJPXFG-UHFFFAOYSA-N 1 1 361.877 1.840 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067691435 221271912 /nfs/dbraw/zinc/27/19/12/221271912.db2.gz FLHVCJQTAHNXNA-HNNXBMFYSA-N 1 1 369.473 1.641 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067691435 221271915 /nfs/dbraw/zinc/27/19/15/221271915.db2.gz FLHVCJQTAHNXNA-HNNXBMFYSA-N 1 1 369.473 1.641 50 0 FDAAMO C[C@@H](CCC(=O)NCc1cccnc1N1CCN(C)CC1)[NH+]1CCCC1 ZINC000067772225 221283063 /nfs/dbraw/zinc/28/30/63/221283063.db2.gz KGVMXHFAEZLKEO-KRWDZBQOSA-N 1 1 359.518 1.714 50 0 FDAAMO CC(C)CNC(=O)c1cn(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)nn1 ZINC000067855698 221297016 /nfs/dbraw/zinc/29/70/16/221297016.db2.gz LTWBCOFPPSRJCB-UHFFFAOYSA-N 1 1 368.445 1.777 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC000067975222 221312266 /nfs/dbraw/zinc/31/22/66/221312266.db2.gz HJEVRNRNZOSLRP-CYBMUJFWSA-N 1 1 374.441 1.719 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC000067975222 221312267 /nfs/dbraw/zinc/31/22/67/221312267.db2.gz HJEVRNRNZOSLRP-CYBMUJFWSA-N 1 1 374.441 1.719 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067948137 221307919 /nfs/dbraw/zinc/30/79/19/221307919.db2.gz RRNNHEFVOZIDOR-HNNXBMFYSA-N 1 1 359.474 1.215 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067948137 221307921 /nfs/dbraw/zinc/30/79/21/221307921.db2.gz RRNNHEFVOZIDOR-HNNXBMFYSA-N 1 1 359.474 1.215 50 0 FDAAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2c(C)nn(C)c2C)cc1 ZINC000071282700 221338630 /nfs/dbraw/zinc/33/86/30/221338630.db2.gz FGXZGJJOVBGRGK-INIZCTEOSA-N 1 1 361.442 1.695 50 0 FDAAMO Cc1nc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c(C)o1 ZINC000071721588 221356900 /nfs/dbraw/zinc/35/69/00/221356900.db2.gz NGBZVBZDTPUTJJ-HNNXBMFYSA-N 1 1 374.485 1.887 50 0 FDAAMO Cn1cc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071752173 221363998 /nfs/dbraw/zinc/36/39/98/221363998.db2.gz HKIXEFRHKNKDCM-SFHVURJKSA-N 1 1 359.518 1.719 50 0 FDAAMO CN(C)c1nc2c(c(NCCc3nnc(-c4cccnc4)[nH]3)n1)CC[NH2+]C2 ZINC000071759447 221366633 /nfs/dbraw/zinc/36/66/33/221366633.db2.gz DOXVEIKLIVTUEY-UHFFFAOYSA-N 1 1 365.445 1.023 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071770977 221373549 /nfs/dbraw/zinc/37/35/49/221373549.db2.gz CQOJHOPQRVVOGJ-INIZCTEOSA-N 1 1 374.485 1.190 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(N)nc(N)n1)CC2 ZINC000091433831 132201933 /nfs/dbraw/zinc/20/19/33/132201933.db2.gz DBIRIAFMIWWAGD-UHFFFAOYSA-N 1 1 356.478 1.518 50 0 FDAAMO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](Nc2cc(N)[nH+]cn2)C1 ZINC000091695688 132203431 /nfs/dbraw/zinc/20/34/31/132203431.db2.gz OBOBGJRSYWPVOR-CQSZACIVSA-N 1 1 369.473 1.936 50 0 FDAAMO Cn1c(Cn2cncn2)nnc1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000091847474 132204181 /nfs/dbraw/zinc/20/41/81/132204181.db2.gz WHESGYGOUXQRQU-UHFFFAOYSA-N 1 1 364.417 1.110 50 0 FDAAMO O=C1CCCN1CC[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000095955991 132216179 /nfs/dbraw/zinc/21/61/79/132216179.db2.gz JTTWYEQORKYIEP-UHFFFAOYSA-N 1 1 351.454 1.888 50 0 FDAAMO O[C@@H]1CCN(c2cc[nH+]c(N3CCC(OCc4cccnc4)CC3)n2)C1 ZINC000096150840 132220600 /nfs/dbraw/zinc/22/06/00/132220600.db2.gz FTHJDJVSPHFRIW-MRXNPFEDSA-N 1 1 355.442 1.628 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000097393962 132228859 /nfs/dbraw/zinc/22/88/59/132228859.db2.gz FXAPHVWSRFSRTR-QGZVFWFLSA-N 1 1 373.497 1.932 50 0 FDAAMO C[C@@H](O)C[N@H+]1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)C1 ZINC000170086239 132263981 /nfs/dbraw/zinc/26/39/81/132263981.db2.gz BJURPTWZAIJLLU-ZIAGYGMSSA-N 1 1 368.441 1.000 50 0 FDAAMO Cc1[nH+]c(N2CCCC2)nc(N2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1C ZINC000299755321 132297964 /nfs/dbraw/zinc/29/79/64/132297964.db2.gz HJLHMYVHORJOEN-HOTGVXAUSA-N 1 1 355.446 1.635 50 0 FDAAMO O=C(NC1CCN(c2ncccn2)CC1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000299778285 132299000 /nfs/dbraw/zinc/29/90/00/132299000.db2.gz PNNDUNAKOPVJRC-GOSISDBHSA-N 1 1 366.469 1.794 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N1CCc2c(ncnc2N2CCOCC2)C1 ZINC000072158580 136143277 /nfs/dbraw/zinc/14/32/77/136143277.db2.gz QCKSDFILKPYMNB-UHFFFAOYSA-N 1 1 370.457 1.183 50 0 FDAAMO Cc1noc(C)c1CN(C)Cc1cc2n(n1)CCN(c1cc(N)[nH+]cn1)C2 ZINC000072434670 136147380 /nfs/dbraw/zinc/14/73/80/136147380.db2.gz UIAMVAYKSCWAMB-UHFFFAOYSA-N 1 1 368.445 1.512 50 0 FDAAMO COc1ccc(C[N@@H+]2CCN(c3nccc(N)n3)C[C@@H]2CCO)cc1C ZINC000072480473 136149739 /nfs/dbraw/zinc/14/97/39/136149739.db2.gz XVTHZMBDAZNMDU-INIZCTEOSA-N 1 1 357.458 1.449 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(c3nccc(N)n3)C[C@@H]2CCO)cc1C ZINC000072480473 136149740 /nfs/dbraw/zinc/14/97/40/136149740.db2.gz XVTHZMBDAZNMDU-INIZCTEOSA-N 1 1 357.458 1.449 50 0 FDAAMO C[NH+]1CCN(c2cc(NC(=O)Nc3ccc4c(c3)OCCO4)ncn2)CC1 ZINC000075166234 136150189 /nfs/dbraw/zinc/15/01/89/136150189.db2.gz STMJZGOAMXKTIQ-UHFFFAOYSA-N 1 1 370.413 1.644 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)CC1 ZINC000075519925 136150554 /nfs/dbraw/zinc/15/05/54/136150554.db2.gz ZRMKFLCEXDHZAK-HNNXBMFYSA-N 1 1 354.458 1.405 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000078560143 221666621 /nfs/dbraw/zinc/66/66/21/221666621.db2.gz ICULLTXVCIQBKA-INIZCTEOSA-N 1 1 355.479 1.616 50 0 FDAAMO CC(=O)c1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000096104529 222023839 /nfs/dbraw/zinc/02/38/39/222023839.db2.gz YWFHGVOIYUBSDR-INIZCTEOSA-N 1 1 352.456 1.109 50 0 FDAAMO COc1ccc(F)cc1S(=O)(=O)N1CCC([N@H+]2CCC[C@@H]2CO)CC1 ZINC000096099746 222022527 /nfs/dbraw/zinc/02/25/27/222022527.db2.gz XAVICDLXAMMKBG-OAHLLOKOSA-N 1 1 372.462 1.444 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)C1 ZINC000096140510 222043844 /nfs/dbraw/zinc/04/38/44/222043844.db2.gz NWLWIJQUZCFXMN-AWEZNQCLSA-N 1 1 356.430 1.396 50 0 FDAAMO Cc1ccc(-n2nc(CC(N)=O)nc2[C@H](C)N2CC[NH+](C)CC2)c(C)c1 ZINC000096154077 222056684 /nfs/dbraw/zinc/05/66/84/222056684.db2.gz FUEOCSQUNOSKMC-HNNXBMFYSA-N 1 1 356.474 1.220 50 0 FDAAMO Cn1nc(-c2ccccc2)cc1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097117435 222160675 /nfs/dbraw/zinc/16/06/75/222160675.db2.gz XLJWHOIGFWCRGH-OAHLLOKOSA-N 1 1 355.442 1.014 50 0 FDAAMO OCCOc1cccc(CN2CC[NH+](Cc3ccccc3CO)CC2)c1 ZINC000097173021 222167729 /nfs/dbraw/zinc/16/77/29/222167729.db2.gz AXUHNISNBITOPN-UHFFFAOYSA-N 1 1 356.466 1.868 50 0 FDAAMO OCCOc1cccc(C[NH+]2CCN(Cc3ccccc3CO)CC2)c1 ZINC000097173021 222167733 /nfs/dbraw/zinc/16/77/33/222167733.db2.gz AXUHNISNBITOPN-UHFFFAOYSA-N 1 1 356.466 1.868 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cnc(Nc2ccccc2)nc1 ZINC000097527241 222188883 /nfs/dbraw/zinc/18/88/83/222188883.db2.gz YTUUFCWYNITIJR-OAHLLOKOSA-N 1 1 355.442 1.654 50 0 FDAAMO COc1cccc(CNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000097600893 222196896 /nfs/dbraw/zinc/19/68/96/222196896.db2.gz ZUFVYQLTXKJODW-MRXNPFEDSA-N 1 1 366.483 1.211 50 0 FDAAMO O[C@H]1C[C@H]2C[N@H+](Cc3sc(N4CCCC4)nc3Cl)C[C@H]2C[C@@H]1O ZINC000097618870 222200445 /nfs/dbraw/zinc/20/04/45/222200445.db2.gz FUXZKMQTYVDFDO-RNJOBUHISA-N 1 1 357.907 1.960 50 0 FDAAMO C[C@H](CCNC(=O)c1cnc(Nc2ccccc2)nc1)N1CC[NH+](C)CC1 ZINC000097742850 222208939 /nfs/dbraw/zinc/20/89/39/222208939.db2.gz NQSNCYFTNSGVHR-MRXNPFEDSA-N 1 1 368.485 1.976 50 0 FDAAMO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCCC[NH+]1CCOCC1 ZINC000098071158 222224829 /nfs/dbraw/zinc/22/48/29/222224829.db2.gz CCHJYDMRSWIVFG-UHFFFAOYSA-N 1 1 363.849 1.681 50 0 FDAAMO O=S(=O)(NCCC1=CSC2=[NH+]CCCN12)NCc1ccccc1 ZINC000102090197 222289012 /nfs/dbraw/zinc/28/90/12/222289012.db2.gz WLGABVCGLMPOPK-UHFFFAOYSA-N 1 1 352.485 1.651 50 0 FDAAMO COCCN1CC[C@@]2(CN(Cc3coc(C)n3)CC[N@H+]2C)CCC1=O ZINC000107668696 222399158 /nfs/dbraw/zinc/39/91/58/222399158.db2.gz UTKPOSIPABIJNG-GOSISDBHSA-N 1 1 350.463 1.128 50 0 FDAAMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@H](C)O1 ZINC000329426479 259095405 /nfs/dbraw/zinc/09/54/05/259095405.db2.gz JCYNQABZLBTIKI-GASCZTMLSA-N 1 1 350.463 1.151 50 0 FDAAMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@H](C)O1 ZINC000329426479 259095406 /nfs/dbraw/zinc/09/54/06/259095406.db2.gz JCYNQABZLBTIKI-GASCZTMLSA-N 1 1 350.463 1.151 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)C1 ZINC000330036209 259123159 /nfs/dbraw/zinc/12/31/59/259123159.db2.gz YCMOZUZLZHUGGH-BZSNNMDCSA-N 1 1 365.518 1.245 50 0 FDAAMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[C@](F)(CO)C1 ZINC000332727658 259290683 /nfs/dbraw/zinc/29/06/83/259290683.db2.gz SSAVCCVYGSVWJT-PKOBYXMFSA-N 1 1 365.449 1.393 50 0 FDAAMO CN(CCc1ccccn1)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426497327 263608701 /nfs/dbraw/zinc/60/87/01/263608701.db2.gz WIWGYZQUBSIVIL-CQSZACIVSA-N 1 1 355.442 1.235 50 0 FDAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000002633887 518245097 /nfs/dbraw/zinc/24/50/97/518245097.db2.gz ITGBPFLUTMWQLQ-CQSZACIVSA-N 1 1 370.453 1.235 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000002633887 518245105 /nfs/dbraw/zinc/24/51/05/518245105.db2.gz ITGBPFLUTMWQLQ-CQSZACIVSA-N 1 1 370.453 1.235 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000006600645 518377579 /nfs/dbraw/zinc/37/75/79/518377579.db2.gz GSSLOSPSJDREJB-CYBMUJFWSA-N 1 1 359.451 1.719 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000006600645 518377586 /nfs/dbraw/zinc/37/75/86/518377586.db2.gz GSSLOSPSJDREJB-CYBMUJFWSA-N 1 1 359.451 1.719 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000006940141 518394009 /nfs/dbraw/zinc/39/40/09/518394009.db2.gz GJUIMXNTZLFGBV-RDJZCZTQSA-N 1 1 351.443 1.848 50 0 FDAAMO CNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000006949389 518395226 /nfs/dbraw/zinc/39/52/26/518395226.db2.gz OYGQNZSBCYBWDD-CQSZACIVSA-N 1 1 351.428 1.220 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007990282 518449073 /nfs/dbraw/zinc/44/90/73/518449073.db2.gz VHIAJPSLGCKNJI-AWEZNQCLSA-N 1 1 373.906 1.561 50 0 FDAAMO COc1cc(CCC2CC[NH+](Cc3nc(N)nc(N)n3)CC2)cc(OC)c1 ZINC000008751096 518486857 /nfs/dbraw/zinc/48/68/57/518486857.db2.gz DGROWMRZUXWWDF-UHFFFAOYSA-N 1 1 372.473 1.898 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCc1ccco1 ZINC000012051643 518583996 /nfs/dbraw/zinc/58/39/96/518583996.db2.gz ZWMHZHKPARBJLX-IBGZPJMESA-N 1 1 367.449 1.296 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCc1ccco1 ZINC000012051643 518584010 /nfs/dbraw/zinc/58/40/10/518584010.db2.gz ZWMHZHKPARBJLX-IBGZPJMESA-N 1 1 367.449 1.296 50 0 FDAAMO CC1(C[NH2+]Cc2ccccc2OC[C@@H](O)CN2CCSCC2)COC1 ZINC000012471390 518616969 /nfs/dbraw/zinc/61/69/69/518616969.db2.gz REPKIQSSQIREQV-KRWDZBQOSA-N 1 1 366.527 1.601 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCCc1ccccc1 ZINC000021637948 518879131 /nfs/dbraw/zinc/87/91/31/518879131.db2.gz OVAUNORZVXAQOY-UHFFFAOYSA-N 1 1 353.470 1.899 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2sccn2c1=O ZINC000022852891 518918102 /nfs/dbraw/zinc/91/81/02/518918102.db2.gz OFKULTLTFKGNAC-GFCCVEGCSA-N 1 1 364.471 1.846 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@H](C)O1 ZINC000025099956 519037392 /nfs/dbraw/zinc/03/73/92/519037392.db2.gz DRSFGUKYQBMZOO-VBQJREDUSA-N 1 1 366.483 1.213 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@H](C)O1 ZINC000025099956 519037397 /nfs/dbraw/zinc/03/73/97/519037397.db2.gz DRSFGUKYQBMZOO-VBQJREDUSA-N 1 1 366.483 1.213 50 0 FDAAMO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCC[NH+]3CCOCC3)c12 ZINC000027985065 519211366 /nfs/dbraw/zinc/21/13/66/519211366.db2.gz SLRXIDIGNSNFBC-UHFFFAOYSA-N 1 1 357.458 1.606 50 0 FDAAMO CC(C)(C[N@H+]1C[C@H]2[C@H](C(=O)N[C@H]3CC[C@H](O)CC3)[C@H]2C1)N1CCCCC1 ZINC000244874768 519236466 /nfs/dbraw/zinc/23/64/66/519236466.db2.gz XGZRQFUWVFDXSY-HWHMVJPJSA-N 1 1 363.546 1.848 50 0 FDAAMO CC(C)(C[N@@H+]1C[C@H]2[C@H](C(=O)N[C@H]3CC[C@H](O)CC3)[C@H]2C1)N1CCCCC1 ZINC000244874768 519236474 /nfs/dbraw/zinc/23/64/74/519236474.db2.gz XGZRQFUWVFDXSY-HWHMVJPJSA-N 1 1 363.546 1.848 50 0 FDAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000028694894 519247421 /nfs/dbraw/zinc/24/74/21/519247421.db2.gz KAMCBSVHDPRUAK-QGZVFWFLSA-N 1 1 364.442 1.157 50 0 FDAAMO OC[C@H](CNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)Cc1ccco1 ZINC000029965965 519338797 /nfs/dbraw/zinc/33/87/97/519338797.db2.gz SBWSIZWSXQKYEY-HNNXBMFYSA-N 1 1 372.473 1.928 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)CC1 ZINC000091656071 519510936 /nfs/dbraw/zinc/51/09/36/519510936.db2.gz ADWFACHOMXRZDZ-MRXNPFEDSA-N 1 1 371.489 1.250 50 0 FDAAMO COc1ccc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000032801923 519539849 /nfs/dbraw/zinc/53/98/49/519539849.db2.gz BCCXBZJNSKJDBE-UHFFFAOYSA-N 1 1 354.454 1.524 50 0 FDAAMO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000033028382 519564366 /nfs/dbraw/zinc/56/43/66/519564366.db2.gz PPPOXBVDCFDZKT-AWEZNQCLSA-N 1 1 351.472 1.110 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3[C@@](O)(C[C@H]2[N@H+](C)C1)C(=O)N4 ZINC000034335996 519593027 /nfs/dbraw/zinc/59/30/27/519593027.db2.gz YSZSHHCNLVHCNV-RRBXVBTKSA-N 1 1 355.438 1.412 50 0 in-vitro FDAAMO CCCNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000034677275 519594252 /nfs/dbraw/zinc/59/42/52/519594252.db2.gz ULKYGZCNOXGVSH-GOSISDBHSA-N 1 1 372.469 1.666 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000034691415 519595576 /nfs/dbraw/zinc/59/55/76/519595576.db2.gz PPUYQZQIUBIXDG-HOTGVXAUSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000034691415 519595580 /nfs/dbraw/zinc/59/55/80/519595580.db2.gz PPUYQZQIUBIXDG-HOTGVXAUSA-N 1 1 368.449 1.386 50 0 FDAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COC(C)C)cc1 ZINC000036101692 519614652 /nfs/dbraw/zinc/61/46/52/519614652.db2.gz VUJDXJHDOCYYJJ-FQEVSTJZSA-N 1 1 350.503 1.915 50 0 FDAAMO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cn1C ZINC000036130531 519617272 /nfs/dbraw/zinc/61/72/72/519617272.db2.gz LQRQQKVPKCSNHH-UHFFFAOYSA-N 1 1 369.487 1.451 50 0 FDAAMO COc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000036548218 519622419 /nfs/dbraw/zinc/62/24/19/519622419.db2.gz CCOUWMFEJPMSFF-SCLBCKFNSA-N 1 1 353.422 1.853 50 0 FDAAMO Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1-n1cnnn1 ZINC000040104921 519640292 /nfs/dbraw/zinc/64/02/92/519640292.db2.gz XZGFYQSMVQLIPY-HNNXBMFYSA-N 1 1 355.402 1.988 50 0 FDAAMO COC(=O)c1oc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1C ZINC000040105776 519640384 /nfs/dbraw/zinc/64/03/84/519640384.db2.gz XKUWUKSZMDPQIV-AWEZNQCLSA-N 1 1 350.415 1.445 50 0 FDAAMO Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H]1c1ccsc1)c(=O)n2C ZINC000040154243 519641663 /nfs/dbraw/zinc/64/16/63/519641663.db2.gz AOHJRKVZXKPEGH-CQSZACIVSA-N 1 1 373.482 1.722 50 0 FDAAMO CCOCC(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091625824 521662284 /nfs/dbraw/zinc/66/22/84/521662284.db2.gz WBBJYLQEYTVPGM-UHFFFAOYSA-N 1 1 363.506 1.934 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 ZINC000020202931 521662380 /nfs/dbraw/zinc/66/23/80/521662380.db2.gz FWGNROKUNRAQDR-KRWDZBQOSA-N 1 1 351.491 1.206 50 0 FDAAMO CCN1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)CC1 ZINC000019839689 521672691 /nfs/dbraw/zinc/67/26/91/521672691.db2.gz SPKVLVJMGDMDQB-HXUWFJFHSA-N 1 1 373.545 1.184 50 0 FDAAMO CCN1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)CC1 ZINC000019839689 521672694 /nfs/dbraw/zinc/67/26/94/521672694.db2.gz SPKVLVJMGDMDQB-HXUWFJFHSA-N 1 1 373.545 1.184 50 0 FDAAMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(F)cc2F)CC1 ZINC000069506169 521897220 /nfs/dbraw/zinc/89/72/20/521897220.db2.gz OUQZETMMFODBCX-UHFFFAOYSA-N 1 1 368.428 1.659 50 0 FDAAMO COc1cc([C@@]2(C)NC(=O)N(C[NH+]3CCCC3)C2=O)cc(OC)c1OC ZINC000057289874 522057147 /nfs/dbraw/zinc/05/71/47/522057147.db2.gz WPPMSTBBEWZHEL-GOSISDBHSA-N 1 1 363.414 1.533 50 0 FDAAMO COCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000045254346 522058983 /nfs/dbraw/zinc/05/89/83/522058983.db2.gz GKCCIZDSMYDBOL-AWEZNQCLSA-N 1 1 369.487 1.125 50 0 FDAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cc2O)C1 ZINC000072121003 522154277 /nfs/dbraw/zinc/15/42/77/522154277.db2.gz ZZOHGCIOMIQEGF-MRXNPFEDSA-N 1 1 355.438 1.860 50 0 FDAAMO Cc1c2ccc(C)cc2oc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1 ZINC000072145265 522170624 /nfs/dbraw/zinc/17/06/24/522170624.db2.gz BKXVVZQVWMJOIB-MRXNPFEDSA-N 1 1 371.437 1.322 50 0 FDAAMO CN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)c2cc3ccccc3s2)CC1 ZINC000072148472 522172563 /nfs/dbraw/zinc/17/25/63/522172563.db2.gz ZQQZVJIRCGLBTG-HNNXBMFYSA-N 1 1 372.494 1.089 50 0 FDAAMO CCCc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(C)nc2)ccn1 ZINC000072150125 522175474 /nfs/dbraw/zinc/17/54/74/522175474.db2.gz RRDQTXSDQCFNTI-GOSISDBHSA-N 1 1 367.453 1.790 50 0 FDAAMO CCc1oc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1CN(CC)CC ZINC000072154878 522182653 /nfs/dbraw/zinc/18/26/53/522182653.db2.gz VCWAOIKTUCTGRW-LJQANCHMSA-N 1 1 351.491 1.822 50 0 FDAAMO CNC(=O)c1nc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)no1 ZINC000072154660 522182906 /nfs/dbraw/zinc/18/29/06/522182906.db2.gz PRLPYTKGVSABHA-MRXNPFEDSA-N 1 1 357.458 1.568 50 0 FDAAMO CNC(=O)CNC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072157470 522184042 /nfs/dbraw/zinc/18/40/42/522184042.db2.gz SCSQMRZPLZSKFE-UHFFFAOYSA-N 1 1 365.477 1.561 50 0 FDAAMO O=S(=O)(N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCOCC1 ZINC000072154674 522184611 /nfs/dbraw/zinc/18/46/11/522184611.db2.gz MJCWMMRASRLJPA-GOSISDBHSA-N 1 1 367.515 1.250 50 0 FDAAMO O=C(NCc1ccco1)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000058178449 522216494 /nfs/dbraw/zinc/21/64/94/522216494.db2.gz MJMSLQQFDUWABV-UHFFFAOYSA-N 1 1 372.450 1.877 50 0 FDAAMO Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072407589 522236076 /nfs/dbraw/zinc/23/60/76/522236076.db2.gz VSTBEGJGCXECGR-IYBDPMFKSA-N 1 1 361.486 1.716 50 0 FDAAMO O=C(CCc1cc2n(n1)CCNC2)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000072426209 522260443 /nfs/dbraw/zinc/26/04/43/522260443.db2.gz YXILRGODVQMGKM-UHFFFAOYSA-N 1 1 354.458 1.053 50 0 FDAAMO CCCN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(OCC(N)=O)c3)CC[C@H]21 ZINC000072432726 522270143 /nfs/dbraw/zinc/27/01/43/522270143.db2.gz ISDKONGSZNUEOS-FUHWJXTLSA-N 1 1 359.470 1.774 50 0 FDAAMO CSCC(=O)N1C[C@H](O)[C@@H]([NH+]2CCC(c3nc(C(C)C)no3)CC2)C1 ZINC000072434808 522273109 /nfs/dbraw/zinc/27/31/09/522273109.db2.gz DTMQBIXFWGNBFY-KBPBESRZSA-N 1 1 368.503 1.307 50 0 FDAAMO Cn1cnnc1SCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072454332 522284944 /nfs/dbraw/zinc/28/49/44/522284944.db2.gz VDEJJKVMBUWNFP-UHFFFAOYSA-N 1 1 371.510 1.957 50 0 FDAAMO COc1cc(CN2CCC(=O)NC[C@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000216492489 522367013 /nfs/dbraw/zinc/36/70/13/522367013.db2.gz CELZLVPCMDVPFG-MRXNPFEDSA-N 1 1 361.486 1.880 50 0 FDAAMO CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)s1 ZINC000046992742 522416954 /nfs/dbraw/zinc/41/69/54/522416954.db2.gz LJTMVWYNVQPWJN-ZIAGYGMSSA-N 1 1 371.528 1.196 50 0 FDAAMO CN(CC(=O)NCC1([NH+](C)C)CCCCCC1)c1ncnc2[nH]cnc21 ZINC000047403743 522512338 /nfs/dbraw/zinc/51/23/38/522512338.db2.gz CRELACYIWWXECS-UHFFFAOYSA-N 1 1 359.478 1.560 50 0 FDAAMO CNc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cs1 ZINC000091526588 522681288 /nfs/dbraw/zinc/68/12/88/522681288.db2.gz AZYAFAIKIVZCQZ-KRWDZBQOSA-N 1 1 352.504 1.772 50 0 FDAAMO CNc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cs1 ZINC000091526588 522681296 /nfs/dbraw/zinc/68/12/96/522681296.db2.gz AZYAFAIKIVZCQZ-KRWDZBQOSA-N 1 1 352.504 1.772 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000074491267 522786359 /nfs/dbraw/zinc/78/63/59/522786359.db2.gz VRHYKFXZZDSQPG-KRWDZBQOSA-N 1 1 374.485 1.647 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2nc3c(cnn3C)c(N3CCC(C)CC3)n2)CC1 ZINC000065257079 522795158 /nfs/dbraw/zinc/79/51/58/522795158.db2.gz IOBMOZUXGHYGQN-UHFFFAOYSA-N 1 1 371.489 1.377 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc3nsnc3c2)C[C@H]1O)c1ccccn1 ZINC000077287963 523286898 /nfs/dbraw/zinc/28/68/98/523286898.db2.gz JCELUBVPGSPGAV-RHSMWYFYSA-N 1 1 369.450 1.452 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc3nsnc3c2)C[C@H]1O)c1ccccn1 ZINC000077287963 523286909 /nfs/dbraw/zinc/28/69/09/523286909.db2.gz JCELUBVPGSPGAV-RHSMWYFYSA-N 1 1 369.450 1.452 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000077320119 523294717 /nfs/dbraw/zinc/29/47/17/523294717.db2.gz IDRPUDSDNFITOJ-HXUWFJFHSA-N 1 1 360.498 1.941 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)[C@@H]1[C@H]2C(=O)N(C(C)(C)C)C[C@@]23C=C[C@@H]1O3 ZINC000077323837 523296736 /nfs/dbraw/zinc/29/67/36/523296736.db2.gz QABIWHKGJWYEFT-ULMVMLMRSA-N 1 1 372.469 1.230 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000091616389 523305812 /nfs/dbraw/zinc/30/58/12/523305812.db2.gz HBUMZANMKBPACD-AWEZNQCLSA-N 1 1 358.442 1.871 50 0 FDAAMO CNC(=O)CC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077503422 523364453 /nfs/dbraw/zinc/36/44/53/523364453.db2.gz KIYOJGYZJMMVPR-LJQANCHMSA-N 1 1 359.474 1.126 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)s1 ZINC000077523680 523371282 /nfs/dbraw/zinc/37/12/82/523371282.db2.gz YGRIPFSBQXNRRL-KRWDZBQOSA-N 1 1 352.504 1.406 50 0 FDAAMO O=C(CCNC(=O)c1ccccc1F)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000055109413 523748669 /nfs/dbraw/zinc/74/86/69/523748669.db2.gz WBFGDSZFTSTFHK-OAHLLOKOSA-N 1 1 365.449 1.299 50 0 FDAAMO CC(C)(CNC(=O)[C@@H]1CCCN(CC(N)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC000055167614 523758683 /nfs/dbraw/zinc/75/86/83/523758683.db2.gz WDUSFKWLPRECGN-GOSISDBHSA-N 1 1 372.513 1.137 50 0 FDAAMO CC(C)(CNC(=O)[C@@H]1CCCN(CC(N)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000055167614 523758691 /nfs/dbraw/zinc/75/86/91/523758691.db2.gz WDUSFKWLPRECGN-GOSISDBHSA-N 1 1 372.513 1.137 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)c2ccccc2F)C1 ZINC000055199307 523765146 /nfs/dbraw/zinc/76/51/46/523765146.db2.gz KOURZPSGKWCDSF-HNNXBMFYSA-N 1 1 365.449 1.420 50 0 FDAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000055407462 523809162 /nfs/dbraw/zinc/80/91/62/523809162.db2.gz UZYOWZQLPAQIFU-UONOGXRCSA-N 1 1 360.433 1.772 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)CCCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091364628 523905126 /nfs/dbraw/zinc/90/51/26/523905126.db2.gz NOWGHCMUMIRLSN-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCc2cccc(OC)c2)[C@@H](C2CC2)C1 ZINC000091320377 524073746 /nfs/dbraw/zinc/07/37/46/524073746.db2.gz OYGARFDMHIPCBO-MSOLQXFVSA-N 1 1 359.470 1.200 50 0 FDAAMO Cc1ccc(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)cc1C ZINC000082098371 524209636 /nfs/dbraw/zinc/20/96/36/524209636.db2.gz RAZOFOZCMCPNJK-UHFFFAOYSA-N 1 1 362.499 1.955 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(C3CCOCC3)CC2)C1)N1CCOCC1 ZINC000082116244 524213104 /nfs/dbraw/zinc/21/31/04/524213104.db2.gz LXYKZKNKTHXRRI-QGZVFWFLSA-N 1 1 365.518 1.201 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(C3CCOCC3)CC2)C1)N1CCOCC1 ZINC000082116244 524213114 /nfs/dbraw/zinc/21/31/14/524213114.db2.gz LXYKZKNKTHXRRI-QGZVFWFLSA-N 1 1 365.518 1.201 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000082121909 524213561 /nfs/dbraw/zinc/21/35/61/524213561.db2.gz REQHOFVWIOOTAJ-HNNXBMFYSA-N 1 1 362.449 1.062 50 0 FDAAMO COc1ccccc1OC1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000082138493 524655705 /nfs/dbraw/zinc/65/57/05/524655705.db2.gz OZSBHRQGKOPCKB-INIZCTEOSA-N 1 1 361.486 1.701 50 0 FDAAMO CCNc1ncc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000091434572 524704255 /nfs/dbraw/zinc/70/42/55/524704255.db2.gz JTNJYKIXIQXLCI-UHFFFAOYSA-N 1 1 374.533 1.675 50 0 FDAAMO Cc1cc(F)ccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091435069 524705168 /nfs/dbraw/zinc/70/51/68/524705168.db2.gz XCZGZGGLRRLRRM-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1cc(F)ccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091435069 524705176 /nfs/dbraw/zinc/70/51/76/524705176.db2.gz XCZGZGGLRRLRRM-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1cc(F)ccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091435069 524705186 /nfs/dbraw/zinc/70/51/86/524705186.db2.gz XCZGZGGLRRLRRM-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000091435324 524705257 /nfs/dbraw/zinc/70/52/57/524705257.db2.gz JLAMBDUSBNZSSI-NVXWUHKLSA-N 1 1 362.499 1.871 50 0 FDAAMO O=C(c1cnc[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091486694 524714853 /nfs/dbraw/zinc/71/48/53/524714853.db2.gz SZMPIGAFFTVBQX-ZWKOTPCHSA-N 1 1 366.465 1.939 50 0 FDAAMO Cc1ncc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000091547356 524721518 /nfs/dbraw/zinc/72/15/18/524721518.db2.gz PEUAJZSWMJVEEA-FQEVSTJZSA-N 1 1 357.502 1.694 50 0 FDAAMO Cc1cc2c(cc1CN1CC[N@@H+](C)[C@@]3(C1)CCC(=O)N(C)CC3)OCO2 ZINC000091551130 524724446 /nfs/dbraw/zinc/72/44/46/524724446.db2.gz MUMTXFXXUAIPSZ-FQEVSTJZSA-N 1 1 359.470 1.852 50 0 FDAAMO CCOC(=O)N1CCC(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)CC1 ZINC000091656410 524755475 /nfs/dbraw/zinc/75/54/75/524755475.db2.gz IIWREPXFNQEKSH-IBGZPJMESA-N 1 1 366.506 1.236 50 0 FDAAMO CCOC(=O)N1CCC([N@@H+]2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)CC1 ZINC000091656410 524755486 /nfs/dbraw/zinc/75/54/86/524755486.db2.gz IIWREPXFNQEKSH-IBGZPJMESA-N 1 1 366.506 1.236 50 0 FDAAMO CCOC(=O)N1CCC([N@H+]2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)CC1 ZINC000091656410 524755497 /nfs/dbraw/zinc/75/54/97/524755497.db2.gz IIWREPXFNQEKSH-IBGZPJMESA-N 1 1 366.506 1.236 50 0 FDAAMO O=C(N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1)C1(Cn2ccnc2)CC1 ZINC000091663932 524757220 /nfs/dbraw/zinc/75/72/20/524757220.db2.gz BVBAKIVTDBRMGN-MSOLQXFVSA-N 1 1 358.486 1.669 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)NCCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091679561 524759066 /nfs/dbraw/zinc/75/90/66/524759066.db2.gz VJFCJCOJQMMLEX-OAQYLSRUSA-N 1 1 372.513 1.957 50 0 FDAAMO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091713910 524767696 /nfs/dbraw/zinc/76/76/96/524767696.db2.gz OFMLEGJMCQZGCN-CYBMUJFWSA-N 1 1 367.877 1.894 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CN1CCOCC1 ZINC000091736417 524768938 /nfs/dbraw/zinc/76/89/38/524768938.db2.gz NTFWRVMWINKCIP-HZPDHXFCSA-N 1 1 374.403 1.958 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091736729 524769198 /nfs/dbraw/zinc/76/91/98/524769198.db2.gz CTILJDRDYBKTSD-KRWDZBQOSA-N 1 1 369.462 1.109 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091736729 524769208 /nfs/dbraw/zinc/76/92/08/524769208.db2.gz CTILJDRDYBKTSD-KRWDZBQOSA-N 1 1 369.462 1.109 50 0 FDAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1 ZINC000091746200 524775238 /nfs/dbraw/zinc/77/52/38/524775238.db2.gz WJUWIUQDZVWCKF-NHCUHLMSSA-N 1 1 373.541 1.632 50 0 FDAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1 ZINC000091746200 524775252 /nfs/dbraw/zinc/77/52/52/524775252.db2.gz WJUWIUQDZVWCKF-NHCUHLMSSA-N 1 1 373.541 1.632 50 0 FDAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1 ZINC000091746200 524775261 /nfs/dbraw/zinc/77/52/61/524775261.db2.gz WJUWIUQDZVWCKF-NHCUHLMSSA-N 1 1 373.541 1.632 50 0 FDAAMO CNC(=O)CC[N@H+]1C[C@H](NC(=O)CCc2ccsc2)[C@@H](C(C)C)C1 ZINC000091818899 524791032 /nfs/dbraw/zinc/79/10/32/524791032.db2.gz QEXCQYNDQTXIDC-CVEARBPZSA-N 1 1 351.516 1.889 50 0 FDAAMO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)C1 ZINC000091965188 524820872 /nfs/dbraw/zinc/82/08/72/524820872.db2.gz GWZGNRMPYFFWDU-KGLIPLIRSA-N 1 1 362.449 1.653 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](C[C@H]1CCOC1)CC2 ZINC000091985805 524823701 /nfs/dbraw/zinc/82/37/01/524823701.db2.gz UZRNPKOMYMPHTR-OAHLLOKOSA-N 1 1 358.486 1.922 50 0 FDAAMO CCn1nc(C(C)C)cc1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000092028182 524830913 /nfs/dbraw/zinc/83/09/13/524830913.db2.gz FTTLEGGZHCKFMT-UHFFFAOYSA-N 1 1 361.490 1.499 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000175391076 524955641 /nfs/dbraw/zinc/95/56/41/524955641.db2.gz XPQJDTYOKPIBNU-ZDUSSCGKSA-N 1 1 351.476 1.382 50 0 FDAAMO CN(C)C(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095360207 525034599 /nfs/dbraw/zinc/03/45/99/525034599.db2.gz AJFRIHQUSOJFPS-MAUKXSAKSA-N 1 1 370.497 1.348 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095362832 525037415 /nfs/dbraw/zinc/03/74/15/525037415.db2.gz USFUSNPSEHPBJV-IAOVAPTHSA-N 1 1 371.453 1.633 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4C)n3C)C2)cn1 ZINC000095367357 525040758 /nfs/dbraw/zinc/04/07/58/525040758.db2.gz IHFVPSBKNZLIPO-KRWDZBQOSA-N 1 1 368.489 1.964 50 0 FDAAMO Cn1cnnc1SCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000095382717 525055476 /nfs/dbraw/zinc/05/54/76/525055476.db2.gz IQUJYNGGPSRCMU-JKSUJKDBSA-N 1 1 372.498 1.425 50 0 FDAAMO COc1ccc(F)c(CN2C[C@H](CO)[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000095383847 525057048 /nfs/dbraw/zinc/05/70/48/525057048.db2.gz XDVLRFBQPIISMI-IAGOWNOFSA-N 1 1 351.466 1.122 50 0 FDAAMO CN1CCc2n[nH]c(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C3CCOCC3)C4)c2C1 ZINC000095386500 525060098 /nfs/dbraw/zinc/06/00/98/525060098.db2.gz KNNLSLMUYXHBSF-GOEBONIOSA-N 1 1 373.501 1.113 50 0 FDAAMO O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095392310 525065567 /nfs/dbraw/zinc/06/55/67/525065567.db2.gz FJJIZQJJKHNFPD-OAHLLOKOSA-N 1 1 370.457 1.170 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N(CC(=O)[O-])C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095498033 525081692 /nfs/dbraw/zinc/08/16/92/525081692.db2.gz HFJUUACAOZCVGS-KRWDZBQOSA-N 1 1 351.422 1.436 50 0 FDAAMO O=C(CCc1cc(Cl)no1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095505606 525087243 /nfs/dbraw/zinc/08/72/43/525087243.db2.gz QGYBMWYVNMQHJK-OAHLLOKOSA-N 1 1 363.845 1.966 50 0 FDAAMO O=C(CCc1cc(Cl)no1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095505607 525088895 /nfs/dbraw/zinc/08/88/95/525088895.db2.gz QGYBMWYVNMQHJK-HNNXBMFYSA-N 1 1 363.845 1.966 50 0 FDAAMO C[N@H+]1CCCN(c2cnn(Cc3ccc(-n4cccn4)cc3)c(=O)c2)CC1 ZINC000095515381 525094576 /nfs/dbraw/zinc/09/45/76/525094576.db2.gz SJDFCMYXQNCNDC-UHFFFAOYSA-N 1 1 364.453 1.619 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2nc[nH]c(=O)c2CC1 ZINC000095525669 525103737 /nfs/dbraw/zinc/10/37/37/525103737.db2.gz MXNRSNXBZRKGFA-CQSZACIVSA-N 1 1 356.426 1.202 50 0 FDAAMO COC(=O)CC[N@@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000095985654 525114045 /nfs/dbraw/zinc/11/40/45/525114045.db2.gz IVXURRWHBOQXKB-HNNXBMFYSA-N 1 1 371.441 1.973 50 0 FDAAMO COC(=O)CC[N@H+]1CCN(C(=O)Nc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000095985654 525114054 /nfs/dbraw/zinc/11/40/54/525114054.db2.gz IVXURRWHBOQXKB-HNNXBMFYSA-N 1 1 371.441 1.973 50 0 FDAAMO COC(=O)CC[N@@H+]1CCN(Cc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000095986099 525114564 /nfs/dbraw/zinc/11/45/64/525114564.db2.gz MUADDCDLDJSEBW-LBPRGKRZSA-N 1 1 350.444 1.867 50 0 FDAAMO COC(=O)CC[N@H+]1CCN(Cc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000095986099 525114571 /nfs/dbraw/zinc/11/45/71/525114571.db2.gz MUADDCDLDJSEBW-LBPRGKRZSA-N 1 1 350.444 1.867 50 0 FDAAMO CCOc1ccc(C[N@H+](C[C@@H](C)O)C2CCS(=O)(=O)CC2)cc1OC ZINC000170606920 525641815 /nfs/dbraw/zinc/64/18/15/525641815.db2.gz ZGDREWDKADIOJT-CQSZACIVSA-N 1 1 371.499 1.854 50 0 FDAAMO CCOc1ccc(C[N@@H+](C[C@@H](C)O)C2CCS(=O)(=O)CC2)cc1OC ZINC000170606920 525641819 /nfs/dbraw/zinc/64/18/19/525641819.db2.gz ZGDREWDKADIOJT-CQSZACIVSA-N 1 1 371.499 1.854 50 0 FDAAMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1 ZINC000170999790 525794401 /nfs/dbraw/zinc/79/44/01/525794401.db2.gz OFRZZGPOKLNPKY-UHFFFAOYSA-N 1 1 360.458 1.568 50 0 FDAAMO C[N@H+]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C[C@@]12CCNC(=O)CC2 ZINC000108023955 525931968 /nfs/dbraw/zinc/93/19/68/525931968.db2.gz CONVJZATJPFFSZ-GOSISDBHSA-N 1 1 359.499 1.925 50 0 FDAAMO CN1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@@]12CCNC(=O)CC2 ZINC000108023955 525931979 /nfs/dbraw/zinc/93/19/79/525931979.db2.gz CONVJZATJPFFSZ-GOSISDBHSA-N 1 1 359.499 1.925 50 0 FDAAMO Cc1cc(=O)n(CC(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)nc1C ZINC000082097627 526141206 /nfs/dbraw/zinc/14/12/06/526141206.db2.gz BGQLURKGUBCYHW-GOSISDBHSA-N 1 1 354.454 1.375 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091625422 526486297 /nfs/dbraw/zinc/48/62/97/526486297.db2.gz GXIYSAGTQOYRIA-SJORKVTESA-N 1 1 365.474 1.013 50 0 FDAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000019933468 526658117 /nfs/dbraw/zinc/65/81/17/526658117.db2.gz PXPDEJRKRXNKLG-UHFFFAOYSA-N 1 1 371.412 1.913 50 0 FDAAMO O=C(Cc1cccc(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091664315 527260233 /nfs/dbraw/zinc/26/02/33/527260233.db2.gz VLFFWBLOCIGDGI-HZPDHXFCSA-N 1 1 352.862 1.282 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082156948 527691980 /nfs/dbraw/zinc/69/19/80/527691980.db2.gz NFINLFYHRCAERK-HXUWFJFHSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082156948 527691982 /nfs/dbraw/zinc/69/19/82/527691982.db2.gz NFINLFYHRCAERK-HXUWFJFHSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082156948 527691985 /nfs/dbraw/zinc/69/19/85/527691985.db2.gz NFINLFYHRCAERK-HXUWFJFHSA-N 1 1 370.501 1.899 50 0 FDAAMO CN(C)c1cc[nH+]c(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 ZINC000095366497 536154570 /nfs/dbraw/zinc/15/45/70/536154570.db2.gz LSSAAQIWWDBBNT-INIZCTEOSA-N 1 1 373.501 1.931 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3cnc4ccnn4c3C)C2)[nH+]c(N)n1 ZINC000252571786 537250805 /nfs/dbraw/zinc/25/08/05/537250805.db2.gz YNTQHMBHJNXZMP-PHIMTYICSA-N 1 1 352.402 1.128 50 0 FDAAMO CN(Cc1ccc(C[N@H+](C)CCN2CCCCC2=O)o1)S(C)(=O)=O ZINC000216001443 537443766 /nfs/dbraw/zinc/44/37/66/537443766.db2.gz YZSKZWRNMBBIJO-UHFFFAOYSA-N 1 1 357.476 1.115 50 0 FDAAMO CN(Cc1ccc(C[N@@H+](C)CCN2CCCCC2=O)o1)S(C)(=O)=O ZINC000216001443 537443769 /nfs/dbraw/zinc/44/37/69/537443769.db2.gz YZSKZWRNMBBIJO-UHFFFAOYSA-N 1 1 357.476 1.115 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cnoc2-c2ccccc2)C1 ZINC000216110742 537446503 /nfs/dbraw/zinc/44/65/03/537446503.db2.gz DWAMUUCKEDLQIP-OAHLLOKOSA-N 1 1 356.426 1.659 50 0 FDAAMO C[N@@H+](CCn1c2ccccc2oc1=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000216263736 537448837 /nfs/dbraw/zinc/44/88/37/537448837.db2.gz GULWYQNIOGSRFQ-UHFFFAOYSA-N 1 1 350.382 1.907 50 0 FDAAMO Cc1ccc[nH+]c1NCCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000218859110 537466839 /nfs/dbraw/zinc/46/68/39/537466839.db2.gz QJKOXDGCJIMJHL-UHFFFAOYSA-N 1 1 355.377 1.411 50 0 FDAAMO O=C(CCC[NH+]1CCOCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000219343166 537475476 /nfs/dbraw/zinc/47/54/76/537475476.db2.gz JODRUQGVCQYXMG-NGICGMGXSA-N 1 1 374.481 1.662 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 ZINC000219906029 537480904 /nfs/dbraw/zinc/48/09/04/537480904.db2.gz PEVCXEICABWCPV-HUUCEWRRSA-N 1 1 350.444 1.529 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1nc(C2CC2)no1 ZINC000221180888 537496757 /nfs/dbraw/zinc/49/67/57/537496757.db2.gz OXUHGMVVTZSOTM-KRWDZBQOSA-N 1 1 370.453 1.897 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1nc(C2CC2)no1 ZINC000221180888 537496764 /nfs/dbraw/zinc/49/67/64/537496764.db2.gz OXUHGMVVTZSOTM-KRWDZBQOSA-N 1 1 370.453 1.897 50 0 FDAAMO CCNC(=O)CN1CC[NH+](C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000225419000 537547156 /nfs/dbraw/zinc/54/71/56/537547156.db2.gz OHTOUMZVLMBBKC-INIZCTEOSA-N 1 1 370.538 1.680 50 0 FDAAMO CCNC(=O)CN1CC[NH+](C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000225419036 537547596 /nfs/dbraw/zinc/54/75/96/537547596.db2.gz OHTOUMZVLMBBKC-MRXNPFEDSA-N 1 1 370.538 1.680 50 0 FDAAMO CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)s1 ZINC000229713660 537575834 /nfs/dbraw/zinc/57/58/34/537575834.db2.gz LJTMVWYNVQPWJN-KBPBESRZSA-N 1 1 371.528 1.196 50 0 FDAAMO CCn1ccnc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230178028 537578297 /nfs/dbraw/zinc/57/82/97/537578297.db2.gz BTMBBUKBVFREHR-HXUWFJFHSA-N 1 1 359.518 1.812 50 0 FDAAMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(N4CCCC4=O)cc3)[C@H]2C1 ZINC000293996435 537638001 /nfs/dbraw/zinc/63/80/01/537638001.db2.gz WYHVFQRKGNACNS-ZWKOTPCHSA-N 1 1 357.454 1.749 50 0 FDAAMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2[nH]nc(CO)c2C1 ZINC000244811784 537653051 /nfs/dbraw/zinc/65/30/51/537653051.db2.gz SLEARQHTILQJGO-IBGZPJMESA-N 1 1 354.454 1.841 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000584891672 551565449 /nfs/dbraw/zinc/56/54/49/551565449.db2.gz CXOPSXJGTRRBGK-ROUUACIJSA-N 1 1 357.458 1.733 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)NCCc3nccs3)cc2C1 ZINC000584893289 551566017 /nfs/dbraw/zinc/56/60/17/551566017.db2.gz WSOLGMFUYXGTEK-UHFFFAOYSA-N 1 1 362.503 1.997 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2(Cn3cccn3)CC2)[C@H](O)C1 ZINC000426521129 570614283 /nfs/dbraw/zinc/61/42/83/570614283.db2.gz AYGKOMGTWYWBLK-IAGOWNOFSA-N 1 1 373.457 1.020 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C2(Cn3cccn3)CC2)[C@H](O)C1 ZINC000426521129 570614284 /nfs/dbraw/zinc/61/42/84/570614284.db2.gz AYGKOMGTWYWBLK-IAGOWNOFSA-N 1 1 373.457 1.020 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)N(C)CC2CCCCC2)CC1 ZINC000083844079 571052197 /nfs/dbraw/zinc/05/21/97/571052197.db2.gz UHOWYFHQXQBTHH-UHFFFAOYSA-N 1 1 352.523 1.121 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)N(C)CC2CCCCC2)CC1 ZINC000083844079 571052201 /nfs/dbraw/zinc/05/22/01/571052201.db2.gz UHOWYFHQXQBTHH-UHFFFAOYSA-N 1 1 352.523 1.121 50 0 FDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000230545988 571096640 /nfs/dbraw/zinc/09/66/40/571096640.db2.gz OHBCYKRKQWEBMJ-SFHVURJKSA-N 1 1 351.454 1.620 50 0 FDAAMO O=C(C[N@H+]1CCc2ccccc2C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000230545988 571096643 /nfs/dbraw/zinc/09/66/43/571096643.db2.gz OHBCYKRKQWEBMJ-SFHVURJKSA-N 1 1 351.454 1.620 50 0 FDAAMO O=C1C[C@@H]([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N1c1ccccc1 ZINC000250640180 571129797 /nfs/dbraw/zinc/12/97/97/571129797.db2.gz DCBZXACSCPTDER-RVKKMQEKSA-N 1 1 363.417 1.600 50 0 FDAAMO O=C1C[C@@H]([N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N1c1ccccc1 ZINC000250640180 571129799 /nfs/dbraw/zinc/12/97/99/571129799.db2.gz DCBZXACSCPTDER-RVKKMQEKSA-N 1 1 363.417 1.600 50 0 FDAAMO Cc1ncsc1CCN(C)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426370194 571134842 /nfs/dbraw/zinc/13/48/42/571134842.db2.gz BLBGOCSMJJTVFX-CYBMUJFWSA-N 1 1 363.487 1.829 50 0 FDAAMO COc1cc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cc2)nc(N)n1 ZINC000426428741 571137286 /nfs/dbraw/zinc/13/72/86/571137286.db2.gz IFNYSXBKYYAURJ-JKSUJKDBSA-N 1 1 367.453 2.043 50 0 FDAAMO CC[C@]1(C(N)=O)CCC[N@@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000253537048 571137879 /nfs/dbraw/zinc/13/78/79/571137879.db2.gz VUHJPDCSATZQDS-IBGZPJMESA-N 1 1 356.426 1.517 50 0 FDAAMO CC(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c(=O)[nH]1 ZINC000426589847 571232678 /nfs/dbraw/zinc/23/26/78/571232678.db2.gz WYZNIZZNUIIXDF-UHFFFAOYSA-N 1 1 360.458 1.337 50 0 FDAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CCN(c2nc3ccccc3s2)CC1 ZINC000426685300 571234990 /nfs/dbraw/zinc/23/49/90/571234990.db2.gz MECNJAABDYKWDZ-MRXNPFEDSA-N 1 1 368.466 1.555 50 0 FDAAMO O=C(NCCC[N@@H+]1CCCC[C@@H]1CO)N1CC(Oc2ccc(F)cc2)C1 ZINC000426685260 571235088 /nfs/dbraw/zinc/23/50/88/571235088.db2.gz HFGOBLSRBVLITG-MRXNPFEDSA-N 1 1 365.449 1.835 50 0 FDAAMO CC(=O)N1CCC(NC(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000426707268 571236082 /nfs/dbraw/zinc/23/60/82/571236082.db2.gz SXZBOBNHUSZFGE-LJQANCHMSA-N 1 1 358.486 1.695 50 0 FDAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426719853 571236436 /nfs/dbraw/zinc/23/64/36/571236436.db2.gz KXGBGOVAQVGGKO-UHFFFAOYSA-N 1 1 355.442 1.896 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426719853 571236437 /nfs/dbraw/zinc/23/64/37/571236437.db2.gz KXGBGOVAQVGGKO-UHFFFAOYSA-N 1 1 355.442 1.896 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O ZINC000252516998 571281999 /nfs/dbraw/zinc/28/19/99/571281999.db2.gz YQJIVXPONLYOSF-DLBZAZTESA-N 1 1 361.486 1.858 50 0 FDAAMO Cc1nnsc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670459580 571356007 /nfs/dbraw/zinc/35/60/07/571356007.db2.gz PUNNLNUYEFGHPC-LTCLLZNKSA-N 1 1 369.494 1.144 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1=O ZINC000169751585 672039345 /nfs/dbraw/zinc/03/93/45/672039345.db2.gz PVJILMHGLPRYDM-OKILXGFUSA-N 1 1 356.344 1.769 50 0 FDAAMO CN(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cc(F)c(F)c(F)c1)CC2 ZINC000169751614 672039459 /nfs/dbraw/zinc/03/94/59/672039459.db2.gz FFMHJUJVDXXPAG-UHFFFAOYSA-N 1 1 352.360 1.854 50 0 FDAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)c1sccc1C)CC2 ZINC000169792924 672043007 /nfs/dbraw/zinc/04/30/07/672043007.db2.gz MKBAUWLFWJTXIP-OAHLLOKOSA-N 1 1 352.500 1.849 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000252486366 672593445 /nfs/dbraw/zinc/59/34/45/672593445.db2.gz HKUUTVVPYYEKTR-GFCCVEGCSA-N 1 1 354.834 1.348 50 0 FDAAMO COCCN1C(=O)N(C)C(=O)[C@@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000581782922 786991206 /nfs/dbraw/zinc/99/12/06/786991206.db2.gz JTBCPUFZZVYULH-KRWDZBQOSA-N 1 1 353.369 1.450 50 0 FDAAMO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH+]1CCN(CC2CC2)CC1 ZINC000020536834 792500210 /nfs/dbraw/zinc/50/02/10/792500210.db2.gz HYQDGNUWCZURLT-OAQYLSRUSA-N 1 1 363.546 1.948 50 0 FDAAMO COc1ccccc1C[N@H+]1C[C@@H](COCC(N)=O)[C@H](c2ccccn2)C1 ZINC000257176236 793819330 /nfs/dbraw/zinc/81/93/30/793819330.db2.gz SFIRGDXFJIUOMH-DLBZAZTESA-N 1 1 355.438 1.808 50 0 FDAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccnc2)CCC(=O)NCC1 ZINC000257184678 793947833 /nfs/dbraw/zinc/94/78/33/793947833.db2.gz VDEOMLGFAWBWRB-SFHVURJKSA-N 1 1 358.486 1.716 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000674750975 794483468 /nfs/dbraw/zinc/48/34/68/794483468.db2.gz XWIOYUMBYWGGIA-HOTGVXAUSA-N 1 1 352.504 1.636 50 0 FDAAMO O=C1[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000169760633 864490447 /nfs/dbraw/zinc/49/04/47/864490447.db2.gz WOEWNIRIYIDJBY-IYBDPMFKSA-N 1 1 365.389 1.427 50 0 FDAAMO O=c1c2ccccc2ncn1CC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000172248601 865539099 /nfs/dbraw/zinc/53/90/99/865539099.db2.gz LQNRHNSMPAODDL-QGZVFWFLSA-N 1 1 356.470 1.583 50 0 FDAAMO O=C(c1cc(COc2ccc3c(c2)OCO3)[nH]n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000012299879 877910286 /nfs/dbraw/zinc/91/02/86/877910286.db2.gz DBJCMJKRLSIXIK-AWEZNQCLSA-N 1 1 370.409 1.638 50 0 FDAAMO O=C(c1cc(COc2ccc3c(c2)OCO3)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012299879 877910294 /nfs/dbraw/zinc/91/02/94/877910294.db2.gz DBJCMJKRLSIXIK-AWEZNQCLSA-N 1 1 370.409 1.638 50 0 FDAAMO O=C(c1cc(COc2ccc3c(c2)OCO3)n[nH]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000012299879 877910299 /nfs/dbraw/zinc/91/02/99/877910299.db2.gz DBJCMJKRLSIXIK-AWEZNQCLSA-N 1 1 370.409 1.638 50 0 FDAAMO CC(C)CN1C[C@@H](C(=O)Nc2cccc(NC(=O)C[NH+](C)C)c2)CC1=O ZINC000821236099 919591018 /nfs/dbraw/zinc/59/10/18/919591018.db2.gz LEIUSCXOXSJAGV-AWEZNQCLSA-N 1 1 360.458 1.630 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 ZINC000826841928 924329297 /nfs/dbraw/zinc/32/92/97/924329297.db2.gz FAJBCMZEGZPGSC-MRXNPFEDSA-N 1 1 353.470 1.811 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000581801303 927585451 /nfs/dbraw/zinc/58/54/51/927585451.db2.gz DIAQJCRKCSLNNQ-YLJYHZDGSA-N 1 1 370.497 1.939 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000581801303 927585455 /nfs/dbraw/zinc/58/54/55/927585455.db2.gz DIAQJCRKCSLNNQ-YLJYHZDGSA-N 1 1 370.497 1.939 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnc(C)cn3)CC2)C12CCOCC2 ZINC000581802028 927587111 /nfs/dbraw/zinc/58/71/11/927587111.db2.gz CWTLQWYHKJZILI-QGZVFWFLSA-N 1 1 360.458 1.269 50 0 FDAAMO CC[C@H](Cn1cncn1)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000585084906 943920530 /nfs/dbraw/zinc/92/05/30/943920530.db2.gz DKDSSQAZKMUFDW-MRXNPFEDSA-N 1 1 372.473 1.565 50 0 FDAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)n1 ZINC000952873078 960221223 /nfs/dbraw/zinc/22/12/23/960221223.db2.gz UGVRLCDGYODTTQ-GOSISDBHSA-N 1 1 373.432 1.789 50 0 FDAAMO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952978222 960275864 /nfs/dbraw/zinc/27/58/64/960275864.db2.gz PVRCJWCAVYLMLF-ZIAGYGMSSA-N 1 1 358.442 1.338 50 0 FDAAMO C[C@H]1CCC(=O)N1c1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952978205 960276453 /nfs/dbraw/zinc/27/64/53/960276453.db2.gz PVRCJWCAVYLMLF-KBPBESRZSA-N 1 1 358.442 1.338 50 0 FDAAMO COc1ncccc1CN[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000952981203 960294225 /nfs/dbraw/zinc/29/42/25/960294225.db2.gz GWFJZCCIRQWKKU-AATLZSDMSA-N 1 1 364.493 1.747 50 0 FDAAMO COc1ncccc1CN[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000952981203 960294235 /nfs/dbraw/zinc/29/42/35/960294235.db2.gz GWFJZCCIRQWKKU-AATLZSDMSA-N 1 1 364.493 1.747 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000952982156 960296721 /nfs/dbraw/zinc/29/67/21/960296721.db2.gz OYGDKVJLDGJZFU-GJZGRUSLSA-N 1 1 361.442 1.380 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000952982156 960296729 /nfs/dbraw/zinc/29/67/29/960296729.db2.gz OYGDKVJLDGJZFU-GJZGRUSLSA-N 1 1 361.442 1.380 50 0 FDAAMO O=C(CCC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1)Nc1nncs1 ZINC000952985858 960305790 /nfs/dbraw/zinc/30/57/90/960305790.db2.gz BBFNIATYERNDSL-AWEZNQCLSA-N 1 1 374.470 1.433 50 0 FDAAMO O=C(CCC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1nncs1 ZINC000952985858 960305803 /nfs/dbraw/zinc/30/58/03/960305803.db2.gz BBFNIATYERNDSL-AWEZNQCLSA-N 1 1 374.470 1.433 50 0 FDAAMO CC(=O)N1CCC(C(=O)Nc2ccc(C)c(NC(=O)C[NH+](C)C)c2)CC1 ZINC000952990977 960317136 /nfs/dbraw/zinc/31/71/36/960317136.db2.gz YVOVKYRPQHPTBU-UHFFFAOYSA-N 1 1 360.458 1.692 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1cccc3ncccc13)C2 ZINC000091848861 1006940222 /nfs/dbraw/zinc/94/02/22/1006940222.db2.gz ZRJBJLPIKLVDPZ-NVXWUHKLSA-N 1 1 374.510 1.937 50 0 FDAAMO OC1CN(c2nc(NCc3cc(C4CC4)n[nH]3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299796615 210038079 /nfs/dbraw/zinc/03/80/79/210038079.db2.gz NTIMJVUAUWELDA-LBPRGKRZSA-N 1 1 356.430 1.374 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)CCc3csc(N)n3)cc2C1 ZINC000299796318 210038177 /nfs/dbraw/zinc/03/81/77/210038177.db2.gz QAQKIJXAAWSBGD-UHFFFAOYSA-N 1 1 362.503 1.642 50 0 FDAAMO O=C(N[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC000299801067 210040563 /nfs/dbraw/zinc/04/05/63/210040563.db2.gz XOFQBXBFHATEGM-INIZCTEOSA-N 1 1 365.437 1.845 50 0 FDAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc2[nH]c(CO)nc2c1 ZINC000299801067 210040571 /nfs/dbraw/zinc/04/05/71/210040571.db2.gz XOFQBXBFHATEGM-INIZCTEOSA-N 1 1 365.437 1.845 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2nccnc2C(=O)N2CCCCC2)C1 ZINC000299792583 210033225 /nfs/dbraw/zinc/03/32/25/210033225.db2.gz HEMYBOXNYLHQQM-HNNXBMFYSA-N 1 1 371.485 1.802 50 0 FDAAMO Cc1nn(C)cc1-c1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000299789006 210032133 /nfs/dbraw/zinc/03/21/33/210032133.db2.gz UZYCWYAHMWDFDW-GOSISDBHSA-N 1 1 356.470 1.972 50 0 FDAAMO CCc1csc(CNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000299782136 210024427 /nfs/dbraw/zinc/02/44/27/210024427.db2.gz WTOPQNAACQOALY-AWEZNQCLSA-N 1 1 371.528 1.221 50 0 FDAAMO C[C@H](CC[N@H+]1CCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000299782749 210026825 /nfs/dbraw/zinc/02/68/25/210026825.db2.gz GJOMPXHWEHAJOZ-OAHLLOKOSA-N 1 1 362.499 1.942 50 0 FDAAMO Cc1nc(-c2cccc(NC(=O)NCC[N@H+]3CCCC[C@@H]3CO)c2)n[nH]1 ZINC000299783567 210026772 /nfs/dbraw/zinc/02/67/72/210026772.db2.gz WGBSZESOQMVIKT-MRXNPFEDSA-N 1 1 358.446 1.748 50 0 FDAAMO CCOc1ccc2nc(N3CCC[N@@H+](C[C@H](O)CO)CC3)nc(C)c2c1 ZINC000299779452 210023177 /nfs/dbraw/zinc/02/31/77/210023177.db2.gz UFLJTJBEBZUMOV-HNNXBMFYSA-N 1 1 360.458 1.202 50 0 FDAAMO CCn1c(=O)oc2cc(NC(=O)NCC[N@H+]3CCCC[C@@H]3CO)ccc21 ZINC000299757533 210008411 /nfs/dbraw/zinc/00/84/11/210008411.db2.gz JCFOULHNQXCXCT-CQSZACIVSA-N 1 1 362.430 1.583 50 0 FDAAMO COc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC000299759262 210011490 /nfs/dbraw/zinc/01/14/90/210011490.db2.gz DZBUBAAFTXJBPL-RTBURBONSA-N 1 1 373.453 1.594 50 0 FDAAMO COc1cccc(CC(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)c1 ZINC000299759262 210011493 /nfs/dbraw/zinc/01/14/93/210011493.db2.gz DZBUBAAFTXJBPL-RTBURBONSA-N 1 1 373.453 1.594 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(O)cn1 ZINC000299760328 210011279 /nfs/dbraw/zinc/01/12/79/210011279.db2.gz QHBZNUNRBNPDFY-QOSBUDKSSA-N 1 1 364.449 1.085 50 0 FDAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000299757863 210009411 /nfs/dbraw/zinc/00/94/11/210009411.db2.gz KTRSJYCRQLVCIC-AWEZNQCLSA-N 1 1 357.458 1.020 50 0 FDAAMO CN(CCC(=O)NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000299757863 210009417 /nfs/dbraw/zinc/00/94/17/210009417.db2.gz KTRSJYCRQLVCIC-AWEZNQCLSA-N 1 1 357.458 1.020 50 0 FDAAMO CN(CCC(=O)NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000299757863 210009420 /nfs/dbraw/zinc/00/94/20/210009420.db2.gz KTRSJYCRQLVCIC-AWEZNQCLSA-N 1 1 357.458 1.020 50 0 FDAAMO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[NH2+]CC2)cn1 ZINC000237166837 222905446 /nfs/dbraw/zinc/90/54/46/222905446.db2.gz IPIZAQWUAZFYBK-UHFFFAOYSA-N 1 1 356.835 1.128 50 0 FDAAMO Cc1cc(C)n([C@H]2CC[N@@H+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2)n1 ZINC000244716046 222931841 /nfs/dbraw/zinc/93/18/41/222931841.db2.gz LHHZBYCTWMIPJP-HNNXBMFYSA-N 1 1 368.441 1.945 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N3CCc4nocc4C3)cc2C1 ZINC000534656862 540395166 /nfs/dbraw/zinc/39/51/66/540395166.db2.gz UTGCDLOYXQGXCC-UHFFFAOYSA-N 1 1 358.446 1.755 50 0 FDAAMO CN(Cc1cc(-c2ccncc2)no1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000534661948 540396527 /nfs/dbraw/zinc/39/65/27/540396527.db2.gz SOSSSUHDGPEPRG-OAHLLOKOSA-N 1 1 373.457 1.582 50 0 FDAAMO CC[NH+]1CCN(C2=NCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000064677767 212042682 /nfs/dbraw/zinc/04/26/82/212042682.db2.gz GZCFJEACDQPTTH-UHFFFAOYSA-N 1 1 365.275 1.898 50 0 FDAAMO C[NH+]1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)CC1 ZINC000058373156 212007474 /nfs/dbraw/zinc/00/74/74/212007474.db2.gz BDOBXFXSDNHCJS-UHFFFAOYSA-N 1 1 362.433 1.832 50 0 FDAAMO CN(C)C(=O)CCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000058341228 212004997 /nfs/dbraw/zinc/00/49/97/212004997.db2.gz ZFSQRWPLFMZEDB-UHFFFAOYSA-N 1 1 368.428 1.707 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000058291355 212002685 /nfs/dbraw/zinc/00/26/85/212002685.db2.gz IHRZRBIGOMIVKD-KRWDZBQOSA-N 1 1 367.515 1.426 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000022694059 211361038 /nfs/dbraw/zinc/36/10/38/211361038.db2.gz CHOUZDGZPNOVFM-GOEBONIOSA-N 1 1 363.433 1.725 50 0 FDAAMO CC[NH+]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccc(C)cc3)NC(=O)N2)CC1 ZINC000022587482 211356777 /nfs/dbraw/zinc/35/67/77/211356777.db2.gz BCRGIOCTUNJHRX-GOSISDBHSA-N 1 1 372.469 1.414 50 0 FDAAMO COC(=O)c1c(N)n(CC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000021730002 211323752 /nfs/dbraw/zinc/32/37/52/211323752.db2.gz YMYUOGHZQMBXHM-UHFFFAOYSA-N 1 1 355.398 1.286 50 0 FDAAMO CC[C@@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019797211 211258076 /nfs/dbraw/zinc/25/80/76/211258076.db2.gz UPAMWYIETRQGAL-SWHYSGLUSA-N 1 1 365.904 1.667 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 ZINC000019527774 211228528 /nfs/dbraw/zinc/22/85/28/211228528.db2.gz HFLLSEKUSHUCGP-AWEZNQCLSA-N 1 1 369.487 1.014 50 0 FDAAMO C[N@@H+](CCO)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccon3)CC2)[C@H]1O ZINC000019145237 211204558 /nfs/dbraw/zinc/20/45/58/211204558.db2.gz KJMGQAVMBIYXMS-MSOLQXFVSA-N 1 1 371.437 1.188 50 0 FDAAMO O=C(CCn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000014980346 211111519 /nfs/dbraw/zinc/11/15/19/211111519.db2.gz UMEUWQHLXDEGMP-OAHLLOKOSA-N 1 1 362.474 1.230 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cn2cncn2)C1 ZINC000014975751 211110894 /nfs/dbraw/zinc/11/08/94/211110894.db2.gz HYEYWANMEYQXPY-QGZVFWFLSA-N 1 1 371.485 1.700 50 0 FDAAMO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014242452 211088738 /nfs/dbraw/zinc/08/87/38/211088738.db2.gz UYEOSZIWVIALIX-FQEVSTJZSA-N 1 1 370.453 1.051 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000014000170 211066709 /nfs/dbraw/zinc/06/67/09/211066709.db2.gz NEJLCSAHBCEKFC-UHFFFAOYSA-N 1 1 371.478 1.536 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711528 211051838 /nfs/dbraw/zinc/05/18/38/211051838.db2.gz FLZIKVLJQPPQLH-INIZCTEOSA-N 1 1 353.488 1.395 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[NH2+]C2CCN(C3CC3)CC2)c(C)s1 ZINC000297292310 184254851 /nfs/dbraw/zinc/25/48/51/184254851.db2.gz APKHCCLVSIVXMW-UHFFFAOYSA-N 1 1 357.545 1.860 50 0 FDAAMO CCn1nnnc1SCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000022056137 220375428 /nfs/dbraw/zinc/37/54/28/220375428.db2.gz XAWYVHALNMSBMR-CQSZACIVSA-N 1 1 360.487 1.691 50 0 FDAAMO CCn1nnnc1SCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000022056133 220376123 /nfs/dbraw/zinc/37/61/23/220376123.db2.gz XAWYVHALNMSBMR-AWEZNQCLSA-N 1 1 360.487 1.691 50 0 FDAAMO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCN(c2nccs2)CC1 ZINC000057914582 221095729 /nfs/dbraw/zinc/09/57/29/221095729.db2.gz LFIBKOHLIGRXFP-UHFFFAOYSA-N 1 1 365.484 1.454 50 0 FDAAMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000058130721 221098749 /nfs/dbraw/zinc/09/87/49/221098749.db2.gz CCOITSGZWSWBSY-CQSZACIVSA-N 1 1 374.485 1.597 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000065364376 221203193 /nfs/dbraw/zinc/20/31/93/221203193.db2.gz UCZUPAMMMCEPPI-INIZCTEOSA-N 1 1 367.515 1.622 50 0 FDAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3cnns3)cc2)C1 ZINC000065376066 221206656 /nfs/dbraw/zinc/20/66/56/221206656.db2.gz POGORPRQKUJRGI-CQSZACIVSA-N 1 1 359.455 1.748 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000065422917 221217216 /nfs/dbraw/zinc/21/72/16/221217216.db2.gz SVCQZNUIZNYYMT-GOSISDBHSA-N 1 1 369.469 1.870 50 0 FDAAMO CCc1ccccc1OC1CN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)C1 ZINC000065455621 221220396 /nfs/dbraw/zinc/22/03/96/221220396.db2.gz ABYJDYTVOAZMPW-UHFFFAOYSA-N 1 1 368.485 1.641 50 0 FDAAMO CN1CCCn2nc(C(=O)NCC[N@H+]3CC[C@H](c4ccccc4)C3)cc2C1 ZINC000065465155 221222715 /nfs/dbraw/zinc/22/27/15/221222715.db2.gz INPATIHCBFHFIK-SFHVURJKSA-N 1 1 367.497 1.938 50 0 FDAAMO Cc1cc(-n2cccn2)ccc1C[NH+]1CCN(c2cc(=O)[nH]c(N)n2)CC1 ZINC000065397462 221211211 /nfs/dbraw/zinc/21/12/11/221211211.db2.gz QWTJLSLJJBYKFM-UHFFFAOYSA-N 1 1 365.441 1.168 50 0 FDAAMO Cc1cc(-n2cccn2)ccc1C[NH+]1CCN(c2cc(=O)nc(N)[nH]2)CC1 ZINC000065397462 221211213 /nfs/dbraw/zinc/21/12/13/221211213.db2.gz QWTJLSLJJBYKFM-UHFFFAOYSA-N 1 1 365.441 1.168 50 0 FDAAMO CC(C)C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1nnc2n1CC[NH2+]CC2 ZINC000067446874 221254651 /nfs/dbraw/zinc/25/46/51/221254651.db2.gz BRPDJFVEAPGXKU-AWEZNQCLSA-N 1 1 357.462 1.153 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+]3CCCOCC3)C2=O)c1 ZINC000067713337 221275640 /nfs/dbraw/zinc/27/56/40/221275640.db2.gz KGXISCKAKFOBDE-LJQANCHMSA-N 1 1 366.433 1.410 50 0 FDAAMO Cc1nnc(CNC(=O)c2cc(C[N@@H+](C)CCc3ccccc3)on2)o1 ZINC000067678831 221271226 /nfs/dbraw/zinc/27/12/26/221271226.db2.gz OTEAMBSGAIELFR-UHFFFAOYSA-N 1 1 355.398 1.971 50 0 FDAAMO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)N1CCC2(CC1)C(=O)NCCCN2C ZINC000067841598 221291826 /nfs/dbraw/zinc/29/18/26/221291826.db2.gz NSUBNAVONJXHHG-CALCHBBNSA-N 1 1 364.534 1.452 50 0 FDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)N1CCC2(CC1)C(=O)NCCCN2C ZINC000067841598 221291830 /nfs/dbraw/zinc/29/18/30/221291830.db2.gz NSUBNAVONJXHHG-CALCHBBNSA-N 1 1 364.534 1.452 50 0 FDAAMO CNC(=O)CC[N@@H+](C)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067868434 221296966 /nfs/dbraw/zinc/29/69/66/221296966.db2.gz ZRJQGPDRTLTOKN-LJQANCHMSA-N 1 1 353.507 1.378 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000071384878 221345249 /nfs/dbraw/zinc/34/52/49/221345249.db2.gz YSEZOYZCERSEFG-CQSZACIVSA-N 1 1 353.488 1.997 50 0 FDAAMO O=C(NCCCO)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071416207 221346893 /nfs/dbraw/zinc/34/68/93/221346893.db2.gz PMZMFLOLTVUDKH-SFHVURJKSA-N 1 1 360.502 1.257 50 0 FDAAMO O=C(NCCCO)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071762663 221369085 /nfs/dbraw/zinc/36/90/85/221369085.db2.gz YFFOTCVZXOAZAU-LJQANCHMSA-N 1 1 359.514 1.862 50 0 FDAAMO Cn1cc(CN(C(=O)[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)C2CC2)cn1 ZINC000071762352 221369102 /nfs/dbraw/zinc/36/91/02/221369102.db2.gz DRPWMDRVLHDBEE-KRWDZBQOSA-N 1 1 359.518 1.717 50 0 FDAAMO CNS(=O)(=O)c1ccc(CN2CC[NH+](Cc3ncccc3C)CC2)cc1 ZINC000071721564 221354881 /nfs/dbraw/zinc/35/48/81/221354881.db2.gz GSJFXWGNGDFCQR-UHFFFAOYSA-N 1 1 374.510 1.616 50 0 FDAAMO CN(C)c1ncnc2c1CCN(C(=O)C[N@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC000071771121 221374153 /nfs/dbraw/zinc/37/41/53/221374153.db2.gz UMRIWPQQINBYOW-KRWDZBQOSA-N 1 1 365.481 1.917 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(F)cn3)CC2)C1 ZINC000071776653 221374982 /nfs/dbraw/zinc/37/49/82/221374982.db2.gz WVAXPZUEOXMHOS-CQSZACIVSA-N 1 1 374.460 1.816 50 0 FDAAMO CNc1cc[nH+]c(N2CCC(c3nnc(CN4CCCC4)n3C)CC2)n1 ZINC000077287709 132179657 /nfs/dbraw/zinc/17/96/57/132179657.db2.gz PKJQCWIEDOOEIE-UHFFFAOYSA-N 1 1 356.478 1.627 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1C ZINC000095360430 132207648 /nfs/dbraw/zinc/20/76/48/132207648.db2.gz WLFZQGZEUNJDMN-OAHLLOKOSA-N 1 1 352.446 1.851 50 0 FDAAMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 ZINC000095505194 132212476 /nfs/dbraw/zinc/21/24/76/132212476.db2.gz JXIPRZFDYYNHPC-INIZCTEOSA-N 1 1 355.442 1.672 50 0 FDAAMO c1nc(N2CCOCC2)ncc1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095504511 132212621 /nfs/dbraw/zinc/21/26/21/132212621.db2.gz TVDWMLRKZGGGTO-PKOBYXMFSA-N 1 1 357.502 1.619 50 0 FDAAMO CNC(=O)c1cccnc1N1CC[N@H+](Cc2ccccc2F)[C@@H](CCO)C1 ZINC000106959380 132240532 /nfs/dbraw/zinc/24/05/32/132240532.db2.gz UOJAUJBDPRHABD-INIZCTEOSA-N 1 1 372.444 1.654 50 0 FDAAMO CNC(=O)c1cccnc1N1CC[N@@H+](Cc2ccccc2F)[C@@H](CCO)C1 ZINC000106959380 132240533 /nfs/dbraw/zinc/24/05/33/132240533.db2.gz UOJAUJBDPRHABD-INIZCTEOSA-N 1 1 372.444 1.654 50 0 FDAAMO CCOc1ccccc1CN1CCN(c2cc[nH+]c(N)n2)C[C@H]1CCO ZINC000106983689 132265836 /nfs/dbraw/zinc/26/58/36/132265836.db2.gz UYSIBZLXMQFMER-MRXNPFEDSA-N 1 1 357.458 1.531 50 0 FDAAMO CN1C[C@]2(CCC[N@@H+](CCN3CCN(c4ccccc4)CC3)C2)OC1=O ZINC000252481639 132292269 /nfs/dbraw/zinc/29/22/69/132292269.db2.gz CPUJMIHMZNDPHG-FQEVSTJZSA-N 1 1 358.486 1.725 50 0 FDAAMO CN1C[C@]2(CCCN(CC[NH+]3CCN(c4ccccc4)CC3)C2)OC1=O ZINC000252481639 132292270 /nfs/dbraw/zinc/29/22/70/132292270.db2.gz CPUJMIHMZNDPHG-FQEVSTJZSA-N 1 1 358.486 1.725 50 0 FDAAMO CNc1nc(N2CCC(O)(Cn3ccnc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299790723 132300400 /nfs/dbraw/zinc/30/04/00/132300400.db2.gz BKCUFNLSKQLOOY-AWEZNQCLSA-N 1 1 358.446 1.250 50 0 FDAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C2=NNC(=O)CC2)CC1 ZINC000055060914 136125947 /nfs/dbraw/zinc/12/59/47/136125947.db2.gz QDJGUWZVCGSNPE-UHFFFAOYSA-N 1 1 363.849 1.686 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3ccnc(C)n3)CC2)C1 ZINC000071614972 136139646 /nfs/dbraw/zinc/13/96/46/136139646.db2.gz QFCYMRGBGTVUGL-MRXNPFEDSA-N 1 1 361.490 1.228 50 0 FDAAMO Cc1cc(N2CC[NH2+][C@H](C(=O)N3CCCC3)C2)nc(-c2ccccc2)n1 ZINC000072122447 136141911 /nfs/dbraw/zinc/14/19/11/136141911.db2.gz MRTHHOWOOBZMKM-KRWDZBQOSA-N 1 1 351.454 1.853 50 0 FDAAMO CCCc1nc(C)cc(N2CC[NH2+][C@@H](C(=O)NCc3cccnc3)C2)n1 ZINC000072171568 136143608 /nfs/dbraw/zinc/14/36/08/136143608.db2.gz MFUJHOBHNFOJBR-MRXNPFEDSA-N 1 1 354.458 1.227 50 0 FDAAMO CCCc1nc(C)cc(N2CC[NH2+][C@H](C(=O)Nc3ccc(C)nc3)C2)n1 ZINC000072169941 136143648 /nfs/dbraw/zinc/14/36/48/136143648.db2.gz LMKFTDIAEPWAMV-INIZCTEOSA-N 1 1 354.458 1.858 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(c2cc(N)ncn2)C[C@@H]1CCO ZINC000072426694 136146715 /nfs/dbraw/zinc/14/67/15/136146715.db2.gz RWUVCXRZIGOCSQ-INIZCTEOSA-N 1 1 357.458 1.531 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(c2cc(N)ncn2)C[C@@H]1CCO ZINC000072426694 136146716 /nfs/dbraw/zinc/14/67/16/136146716.db2.gz RWUVCXRZIGOCSQ-INIZCTEOSA-N 1 1 357.458 1.531 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)[C@H]1[C@H]2C(=O)N(C(C)(C)C)C[C@@]23C=C[C@@H]1O3 ZINC000077323835 221608934 /nfs/dbraw/zinc/60/89/34/221608934.db2.gz QABIWHKGJWYEFT-QOIOWGMHSA-N 1 1 372.469 1.230 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCCn3nc(CCC(=O)NC4CC4)cc3C2)CC1 ZINC000091725567 221788359 /nfs/dbraw/zinc/78/83/59/221788359.db2.gz LBCLEOXZSYSTII-UHFFFAOYSA-N 1 1 373.501 1.311 50 0 FDAAMO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Nc1cccc2[nH]nnc21 ZINC000096130761 222037231 /nfs/dbraw/zinc/03/72/31/222037231.db2.gz BUYJIKBJANXIRX-GFCCVEGCSA-N 1 1 359.434 1.022 50 0 FDAAMO CCCCc1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000096139976 222043962 /nfs/dbraw/zinc/04/39/62/222043962.db2.gz CQXPWAJPPPGJMK-OALUTQOASA-N 1 1 360.502 1.854 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)Nc1ccc(N2CCCC2=O)cc1 ZINC000096148590 222050271 /nfs/dbraw/zinc/05/02/71/222050271.db2.gz XFJKMSCZDNKMGE-KRWDZBQOSA-N 1 1 360.458 1.782 50 0 FDAAMO O=C(Nc1cc(F)ccc1F)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000096152330 222053142 /nfs/dbraw/zinc/05/31/42/222053142.db2.gz BFIGAYIBTFIJIK-UHFFFAOYSA-N 1 1 368.428 1.571 50 0 FDAAMO Cc1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096160256 222059892 /nfs/dbraw/zinc/05/98/92/222059892.db2.gz JCQJLECXIAQOQY-KSSFIOAISA-N 1 1 365.499 1.757 50 0 FDAAMO Cc1nc(C)c(C[N@H+]2C[C@H]3C[NH+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096160256 222059895 /nfs/dbraw/zinc/05/98/95/222059895.db2.gz JCQJLECXIAQOQY-KSSFIOAISA-N 1 1 365.499 1.757 50 0 FDAAMO Cc1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096160256 222059900 /nfs/dbraw/zinc/05/99/00/222059900.db2.gz JCQJLECXIAQOQY-KSSFIOAISA-N 1 1 365.499 1.757 50 0 FDAAMO Cc1nc(C)c(C[NH+]2C[C@H]3C[N@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)s1 ZINC000096160256 222059904 /nfs/dbraw/zinc/05/99/04/222059904.db2.gz JCQJLECXIAQOQY-KSSFIOAISA-N 1 1 365.499 1.757 50 0 FDAAMO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000097301476 222173408 /nfs/dbraw/zinc/17/34/08/222173408.db2.gz HNHRRWGUSCHILN-AWEZNQCLSA-N 1 1 358.442 1.519 50 0 FDAAMO O=C(NC[C@H](c1ccccc1F)N1CCCC1)C1CC[NH+](CCO)CC1 ZINC000097480551 222184361 /nfs/dbraw/zinc/18/43/61/222184361.db2.gz JFBIZEYLHRWICP-LJQANCHMSA-N 1 1 363.477 1.783 50 0 FDAAMO Cc1ccc(F)cc1CNC(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097527218 222188186 /nfs/dbraw/zinc/18/81/86/222188186.db2.gz WDHHZKDDRFSXNS-QGZVFWFLSA-N 1 1 368.474 1.649 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC000097742815 222208963 /nfs/dbraw/zinc/20/89/63/222208963.db2.gz KKPAKCQQXIWMLR-SFHVURJKSA-N 1 1 373.497 1.684 50 0 FDAAMO CSCCC[NH+]1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1 ZINC000097797755 222215120 /nfs/dbraw/zinc/21/51/20/222215120.db2.gz MJBXRVKYPBCDJQ-UHFFFAOYSA-N 1 1 366.579 1.495 50 0 FDAAMO O=C1C[C@H](N2CC[NH+](C[C@@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 ZINC000103832249 222343337 /nfs/dbraw/zinc/34/33/37/222343337.db2.gz YFFUAAZLPPQPTP-ROUUACIJSA-N 1 1 357.454 1.111 50 0 FDAAMO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3CO)CC2)c1 ZINC000107534669 222396055 /nfs/dbraw/zinc/39/60/55/222396055.db2.gz WAFQNHPRKBNSTK-UYAOXDASSA-N 1 1 359.514 1.732 50 0 FDAAMO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000332261348 259253191 /nfs/dbraw/zinc/25/31/91/259253191.db2.gz DYLVVGYFEIAEEP-TYNCELHUSA-N 1 1 365.396 1.928 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)NC[C@]3(C)CC[N@H+](C)C3)CC2=O)cc1 ZINC000426371972 263567592 /nfs/dbraw/zinc/56/75/92/263567592.db2.gz GWSDKMJDDJSKGH-FQEVSTJZSA-N 1 1 358.486 1.691 50 0 FDAAMO Cc1ncc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cn1 ZINC000426395388 263575390 /nfs/dbraw/zinc/57/53/90/263575390.db2.gz OBHRIXAXBPROMZ-QGZVFWFLSA-N 1 1 371.489 1.125 50 0 FDAAMO CCCN1C(=O)N=NC1SCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000007532194 518425291 /nfs/dbraw/zinc/42/52/91/518425291.db2.gz HNTTZUNDIXZCHM-CQSZACIVSA-N 1 1 363.487 1.905 50 0 FDAAMO CC(C)[NH+]1CCC2(CC1)NC(=N)Nc1nc3cc4c(cc3n12)OCCCO4 ZINC000007738306 518434264 /nfs/dbraw/zinc/43/42/64/518434264.db2.gz GZXMMIXWJJCQER-UHFFFAOYSA-N 1 1 370.457 1.904 50 0 FDAAMO C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc2c(c1)OCCO2 ZINC000008942349 518492026 /nfs/dbraw/zinc/49/20/26/518492026.db2.gz ZSMGPFHIEXMMFE-UHFFFAOYSA-N 1 1 361.320 1.278 50 0 FDAAMO C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc2c(c1)OCCO2 ZINC000008942349 518492030 /nfs/dbraw/zinc/49/20/30/518492030.db2.gz ZSMGPFHIEXMMFE-UHFFFAOYSA-N 1 1 361.320 1.278 50 0 FDAAMO Cc1ccc(N2C[C@H](C(=O)N3CCN(c4[nH+]ccn4C)CC3)CC2=O)cc1 ZINC000011027472 518549174 /nfs/dbraw/zinc/54/91/74/518549174.db2.gz NGBQZHBYGKTRHN-MRXNPFEDSA-N 1 1 367.453 1.430 50 0 FDAAMO COc1cccc(C[N@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 ZINC000011184471 518554669 /nfs/dbraw/zinc/55/46/69/518554669.db2.gz UAGNUXWOYIFRLR-SFHVURJKSA-N 1 1 369.421 1.407 50 0 FDAAMO COc1cccc(C[N@@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)c1 ZINC000011184471 518554681 /nfs/dbraw/zinc/55/46/81/518554681.db2.gz UAGNUXWOYIFRLR-SFHVURJKSA-N 1 1 369.421 1.407 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c(OC)c1 ZINC000011662523 518567006 /nfs/dbraw/zinc/56/70/06/518567006.db2.gz LDNUSNNLTFGSQT-OAHLLOKOSA-N 1 1 361.486 1.992 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)c(OC)c1 ZINC000011662523 518567015 /nfs/dbraw/zinc/56/70/15/518567015.db2.gz LDNUSNNLTFGSQT-OAHLLOKOSA-N 1 1 361.486 1.992 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1cccnc1)CC2)c1ccccc1 ZINC000011840820 518575877 /nfs/dbraw/zinc/57/58/77/518575877.db2.gz CXTAEMNCJMNMDI-UHFFFAOYSA-N 1 1 362.437 1.661 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000011934284 518579790 /nfs/dbraw/zinc/57/97/90/518579790.db2.gz KMHYUFGSFZWQLJ-INIZCTEOSA-N 1 1 363.425 1.908 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(C)C)CC2)c1 ZINC000011997202 518582585 /nfs/dbraw/zinc/58/25/85/518582585.db2.gz UBZXVQXJEIOSAY-LJQANCHMSA-N 1 1 372.513 1.238 50 0 FDAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)c1 ZINC000012079880 518585569 /nfs/dbraw/zinc/58/55/69/518585569.db2.gz WXIBBWNOJUMYKY-KRWDZBQOSA-N 1 1 357.458 1.454 50 0 FDAAMO CC[N@@H+](CCn1cccn1)[C@H]1CN(C(=O)c2ccc(OC)cc2)C[C@@H]1O ZINC000012437966 518612185 /nfs/dbraw/zinc/61/21/85/518612185.db2.gz HLFISBQLUHQNTL-ROUUACIJSA-N 1 1 358.442 1.099 50 0 FDAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](CCO)C2)c(OC)c1 ZINC000012431958 518612779 /nfs/dbraw/zinc/61/27/79/518612779.db2.gz VTNGPSDJVVRRIX-OAHLLOKOSA-N 1 1 350.459 1.805 50 0 FDAAMO COCCCNc1nc2nonc2nc1NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000012467009 518616800 /nfs/dbraw/zinc/61/68/00/518616800.db2.gz UEJBIRIFIVNACV-CYBMUJFWSA-N 1 1 363.466 1.994 50 0 FDAAMO Cn1cccc1C(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012799946 518635822 /nfs/dbraw/zinc/63/58/22/518635822.db2.gz JSHKGKVXHYMBBE-OAHLLOKOSA-N 1 1 369.421 1.890 50 0 FDAAMO Cn1cccc1C(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012799946 518635826 /nfs/dbraw/zinc/63/58/26/518635826.db2.gz JSHKGKVXHYMBBE-OAHLLOKOSA-N 1 1 369.421 1.890 50 0 FDAAMO O=c1c2cnc(N3CCCCC3)nc2ccn1CCC[NH+]1CCOCC1 ZINC000020103251 518843498 /nfs/dbraw/zinc/84/34/98/518843498.db2.gz APMQQLBBLZXUNL-UHFFFAOYSA-N 1 1 357.458 1.504 50 0 FDAAMO C[N@H+]1CCC[C@H](CN2CCN(c3c4c(nc5ncnn53)CCCC4)CC2)C1 ZINC000022621108 518906290 /nfs/dbraw/zinc/90/62/90/518906290.db2.gz WBBRZDSDQGITKK-INIZCTEOSA-N 1 1 369.517 1.467 50 0 FDAAMO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000025234978 519047133 /nfs/dbraw/zinc/04/71/33/519047133.db2.gz WVLDYCVITRLHCG-CYBMUJFWSA-N 1 1 359.264 1.645 50 0 FDAAMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1 ZINC000025234978 519047138 /nfs/dbraw/zinc/04/71/38/519047138.db2.gz WVLDYCVITRLHCG-CYBMUJFWSA-N 1 1 359.264 1.645 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000025233946 519047589 /nfs/dbraw/zinc/04/75/89/519047589.db2.gz NPEYSYRXWTVRGR-UHFFFAOYSA-N 1 1 370.453 1.519 50 0 FDAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)N1c2ccccc2CCCC1=O ZINC000033249661 519584358 /nfs/dbraw/zinc/58/43/58/519584358.db2.gz RTPGSFIXMIWHJO-KRWDZBQOSA-N 1 1 372.513 1.498 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000038720619 519635703 /nfs/dbraw/zinc/63/57/03/519635703.db2.gz NFSXBIHPXVONTJ-UHFFFAOYSA-N 1 1 356.304 1.845 50 0 FDAAMO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)[NH+](C)C ZINC000040087921 519639911 /nfs/dbraw/zinc/63/99/11/519639911.db2.gz VGKCRFOMRDIZLK-NVXWUHKLSA-N 1 1 361.486 1.919 50 0 FDAAMO CC(C)(C)NS(=O)(=O)CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000040155436 519641734 /nfs/dbraw/zinc/64/17/34/519641734.db2.gz LWRZLYMHIFTWSN-UHFFFAOYSA-N 1 1 367.515 1.269 50 0 FDAAMO CCC[C@@H](CC(=O)OC)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000089365119 520679139 /nfs/dbraw/zinc/67/91/39/520679139.db2.gz TXBCRPVHSZEUFM-SFHVURJKSA-N 1 1 361.486 1.652 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(N)nc3)C[C@@H]2CCO)cc1 ZINC000020539032 520974358 /nfs/dbraw/zinc/97/43/58/520974358.db2.gz UCQRUJGFJGJXTR-SFHVURJKSA-N 1 1 371.485 1.526 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(N)nc3)C[C@@H]2CCO)cc1 ZINC000020539032 520974365 /nfs/dbraw/zinc/97/43/65/520974365.db2.gz UCQRUJGFJGJXTR-SFHVURJKSA-N 1 1 371.485 1.526 50 0 FDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@H](C)O1 ZINC000042697330 521763752 /nfs/dbraw/zinc/76/37/52/521763752.db2.gz DTKYHDPAXXOXOH-GJZGRUSLSA-N 1 1 357.458 1.885 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC(=O)NC2CCCCC2)C1 ZINC000057178581 522026221 /nfs/dbraw/zinc/02/62/21/522026221.db2.gz XIVFQUJULBTERZ-KRWDZBQOSA-N 1 1 368.522 1.481 50 0 FDAAMO COc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)cc(OC)c1OC ZINC000020819991 522107037 /nfs/dbraw/zinc/10/70/37/522107037.db2.gz XGLXBOGRHDNHBR-UHFFFAOYSA-N 1 1 351.447 1.080 50 0 FDAAMO O=C(NCc1ccncc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071755209 522127647 /nfs/dbraw/zinc/12/76/47/522127647.db2.gz YGTQKHSRUHKJMZ-SFHVURJKSA-N 1 1 370.497 1.811 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072125299 522156856 /nfs/dbraw/zinc/15/68/56/522156856.db2.gz XXRMVJHNDLSOIU-MRXNPFEDSA-N 1 1 358.417 1.544 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](CCOCCO)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072133589 522160499 /nfs/dbraw/zinc/16/04/99/522160499.db2.gz ZPNDQSHHJMZEND-SFHVURJKSA-N 1 1 352.450 1.894 50 0 FDAAMO O=C(Cc1ccc(O)c(Cl)c1)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072145735 522170591 /nfs/dbraw/zinc/17/05/91/522170591.db2.gz OTFLVETUSGCTBK-AWEZNQCLSA-N 1 1 351.834 1.011 50 0 FDAAMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000057920480 522186384 /nfs/dbraw/zinc/18/63/84/522186384.db2.gz FJMKJACZQZPBFX-INIZCTEOSA-N 1 1 362.474 1.935 50 0 FDAAMO COc1ccccc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072170261 522200046 /nfs/dbraw/zinc/20/00/46/522200046.db2.gz NRFBCEDCFIDYPU-NRFANRHFSA-N 1 1 365.433 1.671 50 0 FDAAMO Cc1cc(C)n(-c2ccc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)cc2)n1 ZINC000072171509 522200913 /nfs/dbraw/zinc/20/09/13/522200913.db2.gz MQKOPTPDDJWVQI-SFHVURJKSA-N 1 1 367.453 1.182 50 0 FDAAMO CC[N@@H+](CCCO)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000072304996 522211044 /nfs/dbraw/zinc/21/10/44/522211044.db2.gz KEGALJBYQYJONC-AWEZNQCLSA-N 1 1 373.375 1.997 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CCn2nc(C[NH+]3CCCC3)cc2C1 ZINC000072407985 522235992 /nfs/dbraw/zinc/23/59/92/522235992.db2.gz MWACHVWKRZEGDJ-UHFFFAOYSA-N 1 1 365.441 1.266 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000072407386 522237661 /nfs/dbraw/zinc/23/76/61/522237661.db2.gz GKTLUHBQMXKHRN-QGZVFWFLSA-N 1 1 373.501 1.423 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000072407386 522237664 /nfs/dbraw/zinc/23/76/64/522237664.db2.gz GKTLUHBQMXKHRN-QGZVFWFLSA-N 1 1 373.501 1.423 50 0 FDAAMO O=C(NCc1csc(Cc2ccccc2)n1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072431988 522270412 /nfs/dbraw/zinc/27/04/12/522270412.db2.gz VSETWRYFUZRWBS-QGZVFWFLSA-N 1 1 353.451 1.960 50 0 FDAAMO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)on1 ZINC000072438273 522276728 /nfs/dbraw/zinc/27/67/28/522276728.db2.gz PAKNBAZLJSKZHK-HNNXBMFYSA-N 1 1 360.462 1.323 50 0 FDAAMO O=C(CCc1ccc(=O)[nH]n1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000072477075 522300194 /nfs/dbraw/zinc/30/01/94/522300194.db2.gz ZAMWYAXPNZVFKU-UHFFFAOYSA-N 1 1 358.417 1.576 50 0 FDAAMO O=C(CCc1ccc(=O)[nH]n1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000072477075 522300205 /nfs/dbraw/zinc/30/02/05/522300205.db2.gz ZAMWYAXPNZVFKU-UHFFFAOYSA-N 1 1 358.417 1.576 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000075158033 522885526 /nfs/dbraw/zinc/88/55/26/522885526.db2.gz LDEVYNDDGLHPGS-UHFFFAOYSA-N 1 1 357.458 1.462 50 0 FDAAMO CN(CCc1ccccc1)c1cnn(CCC[NH+]2CCOCC2)c(=O)c1 ZINC000020601260 522956938 /nfs/dbraw/zinc/95/69/38/522956938.db2.gz YAIZGQJXDLIPGC-UHFFFAOYSA-N 1 1 356.470 1.645 50 0 FDAAMO CCNC(=O)NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051098901 522970085 /nfs/dbraw/zinc/97/00/85/522970085.db2.gz RMBXRPUFTXJUQS-UHFFFAOYSA-N 1 1 352.460 1.096 50 0 FDAAMO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CSC[NH2+]1 ZINC000154806926 523102040 /nfs/dbraw/zinc/10/20/40/523102040.db2.gz IEFNKNGJIKWWCL-JQWIXIFHSA-N 1 1 364.389 1.566 50 0 FDAAMO CCn1c(=O)cc(OCC(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000020280317 523111646 /nfs/dbraw/zinc/11/16/46/523111646.db2.gz WHGPJQDHPIHLSR-UHFFFAOYSA-N 1 1 373.453 1.239 50 0 FDAAMO CCC[N@@H+](C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077391622 523320546 /nfs/dbraw/zinc/32/05/46/523320546.db2.gz RQVLWLYCTXRXHF-UHFFFAOYSA-N 1 1 357.410 1.875 50 0 FDAAMO CC(=O)N[C@@H]1C[N@H+](Cc2ccc(CN(C)S(C)(=O)=O)o2)C[C@H]1C(C)C ZINC000077471314 523351869 /nfs/dbraw/zinc/35/18/69/523351869.db2.gz LDAPDIIWHIPCRO-DLBZAZTESA-N 1 1 371.503 1.264 50 0 FDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000077540776 523378619 /nfs/dbraw/zinc/37/86/19/523378619.db2.gz ARWNVNAARGYDER-GOSISDBHSA-N 1 1 359.470 1.740 50 0 FDAAMO CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@H]3C1=O ZINC000077540837 523378670 /nfs/dbraw/zinc/37/86/70/523378670.db2.gz QNIISZIIRGJVBZ-BOSXTWCSSA-N 1 1 361.486 1.121 50 0 FDAAMO CCn1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](CN4CCN(C)CC4)C3)ccc21 ZINC000091551044 523494726 /nfs/dbraw/zinc/49/47/26/523494726.db2.gz XTGFTBVFFAUDRN-NHCUHLMSSA-N 1 1 370.541 1.949 50 0 FDAAMO CCn1ccc2cc(C[N@H+]3C[C@H](CO)[C@H](CN4CCN(C)CC4)C3)ccc21 ZINC000091551044 523494742 /nfs/dbraw/zinc/49/47/42/523494742.db2.gz XTGFTBVFFAUDRN-NHCUHLMSSA-N 1 1 370.541 1.949 50 0 FDAAMO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000054146643 523579364 /nfs/dbraw/zinc/57/93/64/523579364.db2.gz NQLIFSVLQIEXJD-QGZVFWFLSA-N 1 1 367.515 1.610 50 0 FDAAMO CCn1ccnc1C[NH2+]C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067821012 523594859 /nfs/dbraw/zinc/59/48/59/523594859.db2.gz QGRGDWKEOXOHLS-IBGZPJMESA-N 1 1 360.433 1.685 50 0 FDAAMO Nc1nc(-n2cccn2)cc(N[C@H](CN2CCOCC2)c2ccccc2)[nH+]1 ZINC000079106248 523704738 /nfs/dbraw/zinc/70/47/38/523704738.db2.gz KZHDBVVAGFZJEJ-MRXNPFEDSA-N 1 1 365.441 1.730 50 0 FDAAMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCC(=O)NC1CCCCCC1 ZINC000055133751 523753576 /nfs/dbraw/zinc/75/35/76/523753576.db2.gz BKKUCFCKKGAESM-INIZCTEOSA-N 1 1 353.507 1.833 50 0 FDAAMO COc1ccc(CCNC(=O)C[N@H+]2C[C@H](NC(C)=O)[C@@H](C3CC3)C2)cc1 ZINC000091656181 523958426 /nfs/dbraw/zinc/95/84/26/523958426.db2.gz AGZHQZZQMCYGFO-MOPGFXCFSA-N 1 1 359.470 1.200 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](CCO)C1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082098280 524208734 /nfs/dbraw/zinc/20/87/34/524208734.db2.gz WTTQNGBUXMWMMV-OAHLLOKOSA-N 1 1 372.469 1.116 50 0 FDAAMO Cc1cc(C(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c2cccc(C)c2n1 ZINC000082098152 524210121 /nfs/dbraw/zinc/21/01/21/524210121.db2.gz OSMNLCHQIYHSMI-OALUTQOASA-N 1 1 369.465 1.759 50 0 FDAAMO Cc1cc(C(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c2cccc(C)c2n1 ZINC000082098152 524210122 /nfs/dbraw/zinc/21/01/22/524210122.db2.gz OSMNLCHQIYHSMI-OALUTQOASA-N 1 1 369.465 1.759 50 0 FDAAMO C[C@@H]1CN(C(=O)C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C[C@H](C)O1 ZINC000082137411 524216259 /nfs/dbraw/zinc/21/62/59/524216259.db2.gz JRGRAMPNNHHIIK-GASCZTMLSA-N 1 1 372.469 1.521 50 0 FDAAMO COc1ccc(N2C[C@H](C(=O)NCCCn3c[nH+]cc3C)CC2=O)cc1 ZINC000089702454 524447011 /nfs/dbraw/zinc/44/70/11/524447011.db2.gz HPGHLKSNDIOOCB-OAHLLOKOSA-N 1 1 356.426 1.760 50 0 FDAAMO Cc1ccc(CNC(=O)CCN2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000091452077 524499865 /nfs/dbraw/zinc/49/98/65/524499865.db2.gz YTPWSANBVYICSO-NRFANRHFSA-N 1 1 372.513 1.288 50 0 FDAAMO Cc1ccc(CNC(=O)CC[N@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000091452077 524499870 /nfs/dbraw/zinc/49/98/70/524499870.db2.gz YTPWSANBVYICSO-NRFANRHFSA-N 1 1 372.513 1.288 50 0 FDAAMO Cc1ccc(CNC(=O)CC[N@@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000091452077 524499878 /nfs/dbraw/zinc/49/98/78/524499878.db2.gz YTPWSANBVYICSO-NRFANRHFSA-N 1 1 372.513 1.288 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(F)cc1)C2 ZINC000091270191 524687170 /nfs/dbraw/zinc/68/71/70/524687170.db2.gz XIFXWDUZUCHUDC-GOEBONIOSA-N 1 1 363.433 1.216 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(F)cc1)C2 ZINC000091270191 524687185 /nfs/dbraw/zinc/68/71/85/524687185.db2.gz XIFXWDUZUCHUDC-GOEBONIOSA-N 1 1 363.433 1.216 50 0 FDAAMO Cc1cc2c(cc1C[N@H+]1C[C@H](CO)[C@H](CN3CCOCC3)C1)OCCO2 ZINC000091474151 524711164 /nfs/dbraw/zinc/71/11/64/524711164.db2.gz MFIQTRZWMUOBLT-QZTJIDSGSA-N 1 1 362.470 1.139 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2 ZINC000091503831 524716570 /nfs/dbraw/zinc/71/65/70/524716570.db2.gz DPACCVFQSXNPKJ-OAHLLOKOSA-N 1 1 371.485 1.022 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)CCc3cccnc3)CC[N@H+]2C)CCC1=O ZINC000091503655 524718007 /nfs/dbraw/zinc/71/80/07/524718007.db2.gz DAIKAZPINUGKTF-HXUWFJFHSA-N 1 1 358.486 1.559 50 0 FDAAMO CSCCC[NH+]1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000091595748 524736832 /nfs/dbraw/zinc/73/68/32/524736832.db2.gz YKIMDQONVKTSKT-UHFFFAOYSA-N 1 1 358.533 1.272 50 0 FDAAMO COc1cc(F)c(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)c(F)c1 ZINC000091626263 524746108 /nfs/dbraw/zinc/74/61/08/524746108.db2.gz MFQKDZPMKXSXNT-SFHVURJKSA-N 1 1 353.413 1.760 50 0 FDAAMO Cn1c(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc2cc(F)ccc21 ZINC000091643490 524751424 /nfs/dbraw/zinc/75/14/24/524751424.db2.gz XOTCGVBMVCWVSA-IAGOWNOFSA-N 1 1 361.461 1.690 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2cccnc2)CC3)C1 ZINC000091643240 524751704 /nfs/dbraw/zinc/75/17/04/524751704.db2.gz ARPUQVQEXWKYSO-KRWDZBQOSA-N 1 1 356.470 1.631 50 0 FDAAMO Cc1cccc(C(=O)N[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@@H]2C(C)C)c1 ZINC000091651465 524754797 /nfs/dbraw/zinc/75/47/97/524754797.db2.gz IKANYCIVPPTAGK-SJORKVTESA-N 1 1 352.500 1.726 50 0 FDAAMO Cc1cccc(C(=O)N[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@@H]2C(C)C)c1 ZINC000091651465 524754805 /nfs/dbraw/zinc/75/48/05/524754805.db2.gz IKANYCIVPPTAGK-SJORKVTESA-N 1 1 352.500 1.726 50 0 FDAAMO CC(C)(C)N1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC1=O ZINC000091650154 524755362 /nfs/dbraw/zinc/75/53/62/524755362.db2.gz APSJMZJGFOYERZ-INIZCTEOSA-N 1 1 358.486 1.763 50 0 FDAAMO CC(C)(C)N1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC1=O ZINC000091650154 524755373 /nfs/dbraw/zinc/75/53/73/524755373.db2.gz APSJMZJGFOYERZ-INIZCTEOSA-N 1 1 358.486 1.763 50 0 FDAAMO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)C1 ZINC000091655936 524755624 /nfs/dbraw/zinc/75/56/24/524755624.db2.gz YYEFVLZPXFJJRA-JKSUJKDBSA-N 1 1 373.501 1.311 50 0 FDAAMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091726122 524769730 /nfs/dbraw/zinc/76/97/30/524769730.db2.gz FTHQQMCOKCJTMB-HUUCEWRRSA-N 1 1 372.387 1.718 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)CCOc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091794133 524785836 /nfs/dbraw/zinc/78/58/36/524785836.db2.gz KLPZXLLJOVQAPP-FQEVSTJZSA-N 1 1 359.470 1.611 50 0 FDAAMO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1 ZINC000091818337 524792529 /nfs/dbraw/zinc/79/25/29/524792529.db2.gz BNJIPAPIBNNKRS-FUHWJXTLSA-N 1 1 372.469 1.156 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCCC2)C[C@@H]1CO ZINC000091907194 524807875 /nfs/dbraw/zinc/80/78/75/524807875.db2.gz XUSGKHVQKUEONF-RTBURBONSA-N 1 1 374.525 1.880 50 0 FDAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1 ZINC000091951798 524816918 /nfs/dbraw/zinc/81/69/18/524816918.db2.gz NZFQGFDUDWXVPX-MRXNPFEDSA-N 1 1 369.469 1.870 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000091985801 524822581 /nfs/dbraw/zinc/82/25/81/524822581.db2.gz UZRNPKOMYMPHTR-HNNXBMFYSA-N 1 1 358.486 1.922 50 0 FDAAMO CN1CCC[N@@H+](CCC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000092022511 524830395 /nfs/dbraw/zinc/83/03/95/524830395.db2.gz OKSPZKITIFYIIA-HXUWFJFHSA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@@H+]1CCCN(CCC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000092022511 524830398 /nfs/dbraw/zinc/83/03/98/524830398.db2.gz OKSPZKITIFYIIA-HXUWFJFHSA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@H+]1CCCN(CCC(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000092022511 524830404 /nfs/dbraw/zinc/83/04/04/524830404.db2.gz OKSPZKITIFYIIA-HXUWFJFHSA-N 1 1 359.514 1.598 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@@H]1CO ZINC000092020380 524832051 /nfs/dbraw/zinc/83/20/51/524832051.db2.gz VMLBCMKGQAQTOT-QZTJIDSGSA-N 1 1 372.465 1.540 50 0 FDAAMO O=c1oc2ccccc2n1CC[N@H+]1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000092061851 524835353 /nfs/dbraw/zinc/83/53/53/524835353.db2.gz WUCFZXDXQAFFGF-HZPDHXFCSA-N 1 1 365.437 1.985 50 0 FDAAMO Cc1ccc(C2(C(=O)N3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)CC2)cc1 ZINC000092061969 524836636 /nfs/dbraw/zinc/83/66/36/524836636.db2.gz QMCUZSSUIVJHTJ-RTBURBONSA-N 1 1 371.525 1.341 50 0 FDAAMO CC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000092081470 524846758 /nfs/dbraw/zinc/84/67/58/524846758.db2.gz XAHPYYLEGKBQSP-AWEZNQCLSA-N 1 1 365.499 1.541 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000092107318 524848425 /nfs/dbraw/zinc/84/84/25/524848425.db2.gz GUQZIRBHXNPOHC-IBGZPJMESA-N 1 1 351.491 1.206 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000092107318 524848433 /nfs/dbraw/zinc/84/84/33/524848433.db2.gz GUQZIRBHXNPOHC-IBGZPJMESA-N 1 1 351.491 1.206 50 0 FDAAMO Cc1nc2ccc(CNC(=O)[C@H]3C[NH2+]C[C@H](C(=O)N4CCCC4)C3)cc2[nH]1 ZINC000095354174 525030357 /nfs/dbraw/zinc/03/03/57/525030357.db2.gz KRIZLXWZVWACNZ-HZPDHXFCSA-N 1 1 369.469 1.336 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@@H+](CCC(=O)N2CCCC2)C1 ZINC000095357197 525032144 /nfs/dbraw/zinc/03/21/44/525032144.db2.gz IMJMQWVEBHRIGR-INIZCTEOSA-N 1 1 371.489 1.252 50 0 FDAAMO COCCN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095359814 525034622 /nfs/dbraw/zinc/03/46/22/525034622.db2.gz REQQGJAPENWHQC-KRWDZBQOSA-N 1 1 364.490 1.286 50 0 FDAAMO CC[NH+]1CCN(C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000095363142 525040124 /nfs/dbraw/zinc/04/01/24/525040124.db2.gz DDYYINVMDYRPAD-IAGOWNOFSA-N 1 1 355.486 1.312 50 0 FDAAMO CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095372382 525045995 /nfs/dbraw/zinc/04/59/95/525045995.db2.gz OPKUUBLRTJZCHO-HNNXBMFYSA-N 1 1 362.474 1.839 50 0 FDAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000124689864 525054309 /nfs/dbraw/zinc/05/43/09/525054309.db2.gz CMPCVCRWUQQYJY-UONOGXRCSA-N 1 1 354.476 1.369 50 0 FDAAMO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C2)cc1 ZINC000095384548 525056213 /nfs/dbraw/zinc/05/62/13/525056213.db2.gz XQHCVLDZYCAHST-YLJYHZDGSA-N 1 1 374.485 1.585 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ccc4ccccc4c3)C[C@@H]2CO)CC1 ZINC000095386244 525060067 /nfs/dbraw/zinc/06/00/67/525060067.db2.gz IATAZBUIWZZPHZ-NHCUHLMSSA-N 1 1 367.493 1.768 50 0 FDAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000095385816 525060900 /nfs/dbraw/zinc/06/09/00/525060900.db2.gz ZFFSNSOHMXIPFR-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)c3cccc4nccnc43)CC[N@H+]2C)CCC1=O ZINC000095392948 525065657 /nfs/dbraw/zinc/06/56/57/525065657.db2.gz FWGOZQDXDGUGSC-FQEVSTJZSA-N 1 1 367.453 1.399 50 0 FDAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095510049 525093776 /nfs/dbraw/zinc/09/37/76/525093776.db2.gz DDPJBXDHQADMBA-GJZGRUSLSA-N 1 1 357.813 1.778 50 0 FDAAMO O=C(Nc1ccc(F)c(Cl)c1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095510049 525093785 /nfs/dbraw/zinc/09/37/85/525093785.db2.gz DDPJBXDHQADMBA-GJZGRUSLSA-N 1 1 357.813 1.778 50 0 FDAAMO CN1CC2(CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)OC1=O ZINC000095509688 525093805 /nfs/dbraw/zinc/09/38/05/525093805.db2.gz GWAZEAPLCCNBAF-HNNXBMFYSA-N 1 1 361.442 1.935 50 0 FDAAMO CCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000095516896 525095291 /nfs/dbraw/zinc/09/52/91/525095291.db2.gz KSNUORGTVXUHSR-SFHVURJKSA-N 1 1 365.518 1.524 50 0 FDAAMO CCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000095516896 525095295 /nfs/dbraw/zinc/09/52/95/525095295.db2.gz KSNUORGTVXUHSR-SFHVURJKSA-N 1 1 365.518 1.524 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-c3cnco3)c2)C1 ZINC000095523828 525101993 /nfs/dbraw/zinc/10/19/93/525101993.db2.gz WMUIKXQROLGFHE-AWEZNQCLSA-N 1 1 357.414 1.660 50 0 FDAAMO COc1cc(CN2CCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095529165 525105529 /nfs/dbraw/zinc/10/55/29/525105529.db2.gz DLLXJPZQCSAGLJ-MRXNPFEDSA-N 1 1 352.500 1.689 50 0 FDAAMO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000089905605 525109357 /nfs/dbraw/zinc/10/93/57/525109357.db2.gz DBHJOSDZLSXMLT-MJGOQNOKSA-N 1 1 361.486 1.287 50 0 FDAAMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000089905605 525109365 /nfs/dbraw/zinc/10/93/65/525109365.db2.gz DBHJOSDZLSXMLT-MJGOQNOKSA-N 1 1 361.486 1.287 50 0 FDAAMO COc1ccc([C@H](O)C(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)cc1 ZINC000082108178 525376181 /nfs/dbraw/zinc/37/61/81/525376181.db2.gz ZHQNLTJFSOAYPN-IBGZPJMESA-N 1 1 372.469 1.713 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cnn1C ZINC000082148437 525706395 /nfs/dbraw/zinc/70/63/95/525706395.db2.gz LXJWGLNGHNWSDO-HXUWFJFHSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cnn1C ZINC000082148437 525706399 /nfs/dbraw/zinc/70/63/99/525706399.db2.gz LXJWGLNGHNWSDO-HXUWFJFHSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cnn1C ZINC000082148437 525706404 /nfs/dbraw/zinc/70/64/04/525706404.db2.gz LXJWGLNGHNWSDO-HXUWFJFHSA-N 1 1 370.501 1.899 50 0 FDAAMO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@@H]1CSC[NH2+]1 ZINC000155667268 526575574 /nfs/dbraw/zinc/57/55/74/526575574.db2.gz OYEQYTIEBRTSTD-WPRPVWTQSA-N 1 1 351.255 1.512 50 0 FDAAMO O=C(CN1CCCC1=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082106529 526735262 /nfs/dbraw/zinc/73/52/62/526735262.db2.gz MXILLNFEUGJWJV-UHFFFAOYSA-N 1 1 373.501 1.660 50 0 FDAAMO O=C(c1ccc2ccccc2n1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091440494 526735352 /nfs/dbraw/zinc/73/53/52/526735352.db2.gz RKWVPRWAWSBMNK-IAGOWNOFSA-N 1 1 369.465 1.638 50 0 FDAAMO Cc1nc2ncc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(=O)n2[nH]1 ZINC000390825768 527202577 /nfs/dbraw/zinc/20/25/77/527202577.db2.gz RUXZTMUFEXTWNC-UHFFFAOYSA-N 1 1 366.425 1.252 50 0 FDAAMO O=C(Cn1nnc(-c2ccccc2)n1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091493596 527427631 /nfs/dbraw/zinc/42/76/31/527427631.db2.gz FTTKVFMMVQAYAD-SJLPKXTDSA-N 1 1 366.469 1.673 50 0 FDAAMO CCNc1ccnc(N2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)n1 ZINC000106968115 535528095 /nfs/dbraw/zinc/52/80/95/535528095.db2.gz FKTMYKXFVGZWKN-KRWDZBQOSA-N 1 1 371.485 1.990 50 0 FDAAMO CCNc1ccnc(N2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)n1 ZINC000106968115 535528099 /nfs/dbraw/zinc/52/80/99/535528099.db2.gz FKTMYKXFVGZWKN-KRWDZBQOSA-N 1 1 371.485 1.990 50 0 FDAAMO CCc1nc(NCC[C@H]2CN(c3cnn(C)c(=O)c3)CCO2)cc(C)[nH+]1 ZINC000065535917 536126790 /nfs/dbraw/zinc/12/67/90/536126790.db2.gz MPXLYBYHKMSYMM-HNNXBMFYSA-N 1 1 358.446 1.149 50 0 FDAAMO Cn1cc(C[N@@H+](C)CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000026906242 536303446 /nfs/dbraw/zinc/30/34/46/536303446.db2.gz UWVBVMBHNIFRMM-UHFFFAOYSA-N 1 1 359.449 1.730 50 0 FDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O ZINC000252509039 537250538 /nfs/dbraw/zinc/25/05/38/537250538.db2.gz YBNILXJNQOXPQJ-KYHPRHEASA-N 1 1 374.485 1.036 50 0 FDAAMO CC[N@H+](Cc1cc(=O)n2cccc(O)c2n1)C[C@@H](O)c1cccc(O)c1 ZINC000252506651 537250645 /nfs/dbraw/zinc/25/06/45/537250645.db2.gz WCBGDKYLJQEOQS-QGZVFWFLSA-N 1 1 355.394 1.661 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc2c(c1)NC(=O)CN2 ZINC000215286798 537437299 /nfs/dbraw/zinc/43/72/99/537437299.db2.gz FILDJCMUNDFHMD-MRXNPFEDSA-N 1 1 350.422 1.837 50 0 FDAAMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1 ZINC000216118928 537446087 /nfs/dbraw/zinc/44/60/87/537446087.db2.gz MQXGMFJNMGBVNC-HXUWFJFHSA-N 1 1 362.470 1.661 50 0 FDAAMO Cc1noc(C)c1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000218968628 537469876 /nfs/dbraw/zinc/46/98/76/537469876.db2.gz AGRKSASKJYKFJP-UHFFFAOYSA-N 1 1 355.460 1.063 50 0 FDAAMO Cc1c(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)sc2[nH]cnc(=O)c12 ZINC000219953028 537483700 /nfs/dbraw/zinc/48/37/00/537483700.db2.gz SDRHUUAHFFRQRC-YXCITZCRSA-N 1 1 374.466 1.275 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000221341595 537500134 /nfs/dbraw/zinc/50/01/34/537500134.db2.gz OVBLADZLUCTQHS-UHFFFAOYSA-N 1 1 360.365 1.411 50 0 FDAAMO O=C(CCc1ccccc1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000222438477 537508633 /nfs/dbraw/zinc/50/86/33/537508633.db2.gz ZKBBCHMFYHAFRR-UHFFFAOYSA-N 1 1 364.511 1.777 50 0 FDAAMO CC[N@H+]1CC[C@H](NC(=O)c2cccc(N3N=C(C)[C@](O)(CC)C3=O)c2)C1 ZINC000230474136 537580728 /nfs/dbraw/zinc/58/07/28/537580728.db2.gz HULGZUIIFHJSHC-HNAYVOBHSA-N 1 1 358.442 1.374 50 0 FDAAMO NC(=O)c1ccc(NC(=O)CCN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc1 ZINC000244626852 537649239 /nfs/dbraw/zinc/64/92/39/537649239.db2.gz FTVOZMKBTQLWQL-QFBILLFUSA-N 1 1 370.497 1.920 50 0 FDAAMO NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1 ZINC000244626852 537649243 /nfs/dbraw/zinc/64/92/43/537649243.db2.gz FTVOZMKBTQLWQL-QFBILLFUSA-N 1 1 370.497 1.920 50 0 FDAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1 ZINC000244626852 537649246 /nfs/dbraw/zinc/64/92/46/537649246.db2.gz FTVOZMKBTQLWQL-QFBILLFUSA-N 1 1 370.497 1.920 50 0 FDAAMO C[NH+]1CCN(CCC(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 ZINC000244873211 537654598 /nfs/dbraw/zinc/65/45/98/537654598.db2.gz WLYOJBAHNGRLFC-LVCYWYKZSA-N 1 1 373.497 1.187 50 0 FDAAMO Cc1ccc(OC2CN(C(=O)NC3CC[NH+](CCN(C)C)CC3)C2)cc1 ZINC000584891061 551565603 /nfs/dbraw/zinc/56/56/03/551565603.db2.gz XEAWUZBAXVTXQI-UHFFFAOYSA-N 1 1 360.502 1.794 50 0 FDAAMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)c1ncc(F)cn1 ZINC000585138296 551575013 /nfs/dbraw/zinc/57/50/13/551575013.db2.gz CLAKIECNHMAKFQ-UHFFFAOYSA-N 1 1 357.389 1.280 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)CCCO1 ZINC000215077010 568049243 /nfs/dbraw/zinc/04/92/43/568049243.db2.gz SODKRCDNPLGADD-CQSZACIVSA-N 1 1 362.455 1.888 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000222516337 568534845 /nfs/dbraw/zinc/53/48/45/568534845.db2.gz GQJJPLIPTBIDJH-UHFFFAOYSA-N 1 1 368.434 1.255 50 0 FDAAMO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc3n(n2)CCN(C(=O)C(C)C)C3)C1 ZINC000426536263 570615478 /nfs/dbraw/zinc/61/54/78/570615478.db2.gz JKFRLPSZLQFRNN-AWEZNQCLSA-N 1 1 363.462 1.202 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(c2ccc3nccn3n2)CC1 ZINC000426551768 570615961 /nfs/dbraw/zinc/61/59/61/570615961.db2.gz HKCYCIJWPOZNGT-IAGOWNOFSA-N 1 1 368.485 1.642 50 0 FDAAMO CC1CCN(c2ncc3c(n2)CC[C@H](C(=O)N2CCC[N@@H+](C)CC2)C3)CC1 ZINC000075877269 570619792 /nfs/dbraw/zinc/61/97/92/570619792.db2.gz VBNCAGGMYAJPJG-KRWDZBQOSA-N 1 1 371.529 1.982 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cnc3n(c2=O)CCS3)ccn1 ZINC000047013618 570878209 /nfs/dbraw/zinc/87/82/09/570878209.db2.gz RETOUAZMWCMTTC-UHFFFAOYSA-N 1 1 368.422 1.168 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccn1 ZINC000047012817 570878272 /nfs/dbraw/zinc/87/82/72/570878272.db2.gz NEKFZVLMBAWNDB-KSSFIOAISA-N 1 1 371.466 1.646 50 0 FDAAMO CN(Cc1[nH]nc2c1CCCC2)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426502803 571129154 /nfs/dbraw/zinc/12/91/54/571129154.db2.gz AJHIGFYGNPWCOZ-ZDUSSCGKSA-N 1 1 372.473 1.623 50 0 FDAAMO Cc1nc(C)c(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)s1 ZINC000426490666 571134223 /nfs/dbraw/zinc/13/42/23/571134223.db2.gz VFHFAIQFHNDYMA-LBPRGKRZSA-N 1 1 361.471 1.847 50 0 FDAAMO COc1cccc(-n2cc(CNc3cc([C@H]4CCOC4)[nH+]c(N)n3)cn2)c1 ZINC000426635294 571135516 /nfs/dbraw/zinc/13/55/16/571135516.db2.gz IQBWJAFODMCGIY-AWEZNQCLSA-N 1 1 366.425 1.791 50 0 FDAAMO Nc1nc(N2CCC(CCN3CCCC3=O)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426388398 571138516 /nfs/dbraw/zinc/13/85/16/571138516.db2.gz LBTNCZUFIOGEQQ-HNNXBMFYSA-N 1 1 359.474 1.792 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCc2ccncc2)[C@H](O)C1 ZINC000426372175 571216624 /nfs/dbraw/zinc/21/66/24/571216624.db2.gz GIONHIBTOKAQPU-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCc2ccncc2)[C@H](O)C1 ZINC000426372175 571216627 /nfs/dbraw/zinc/21/66/27/571216627.db2.gz GIONHIBTOKAQPU-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)c3onc4c3CCCC4)CC[N@@H+]2C)CCC1=O ZINC000426484435 571227606 /nfs/dbraw/zinc/22/76/06/571227606.db2.gz KXFKLWCVVBWIHG-FQEVSTJZSA-N 1 1 374.485 1.712 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)c3onc4c3CCCC4)CC[N@H+]2C)CCC1=O ZINC000426484435 571227607 /nfs/dbraw/zinc/22/76/07/571227607.db2.gz KXFKLWCVVBWIHG-FQEVSTJZSA-N 1 1 374.485 1.712 50 0 FDAAMO OCCNc1nc(NCc2cnc3ccccc3c2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426530679 571230391 /nfs/dbraw/zinc/23/03/91/571230391.db2.gz AYLWNZAQWVDBHV-MRXNPFEDSA-N 1 1 365.437 1.389 50 0 FDAAMO C[C@H](c1ccc(-c2nc(N3CCOCC3)n(C)n2)cc1)[NH+]1CCOCC1 ZINC000426571546 571231845 /nfs/dbraw/zinc/23/18/45/571231845.db2.gz CJZOLKMTKKBTND-OAHLLOKOSA-N 1 1 357.458 1.712 50 0 FDAAMO NC(=O)C1CC[NH+](C2CN(C(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 ZINC000390826008 571328104 /nfs/dbraw/zinc/32/81/04/571328104.db2.gz XTHPJZSUYNMFHP-UHFFFAOYSA-N 1 1 356.348 1.122 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNS(=O)(=O)N(C)Cc2ccccc2)C1 ZINC000670450803 571352564 /nfs/dbraw/zinc/35/25/64/571352564.db2.gz RTXVVJRHTRZYDP-QGZVFWFLSA-N 1 1 355.504 1.311 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c(C)c1C ZINC000670452938 571352928 /nfs/dbraw/zinc/35/29/28/571352928.db2.gz SZMIVTBEMHWSMD-MRXNPFEDSA-N 1 1 370.515 1.603 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c(C)c1C ZINC000670452938 571352929 /nfs/dbraw/zinc/35/29/29/571352929.db2.gz SZMIVTBEMHWSMD-MRXNPFEDSA-N 1 1 370.515 1.603 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCC[C@H](CO)C1)c1cc2ccccc2s1 ZINC000670460992 571356843 /nfs/dbraw/zinc/35/68/43/571356843.db2.gz HQQPYGSSVVIDFK-ZDUSSCGKSA-N 1 1 354.497 1.884 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCC[C@H](CO)C1)c1cc2ccccc2s1 ZINC000670460992 571356844 /nfs/dbraw/zinc/35/68/44/571356844.db2.gz HQQPYGSSVVIDFK-ZDUSSCGKSA-N 1 1 354.497 1.884 50 0 FDAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000012320430 670612063 /nfs/dbraw/zinc/61/20/63/670612063.db2.gz BVDLYXPGVMDSSP-KRWDZBQOSA-N 1 1 360.483 1.804 50 0 FDAAMO O=S(=O)(C[C@@H]1CCCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000170665935 672045274 /nfs/dbraw/zinc/04/52/74/672045274.db2.gz MRTQLMOGOMULNH-KRWDZBQOSA-N 1 1 356.463 1.889 50 0 FDAAMO COCCO[C@H]1C[N@@H+](C2CCN(S(C)(=O)=O)CC2)C12CCCCC2 ZINC000257177252 672629795 /nfs/dbraw/zinc/62/97/95/672629795.db2.gz DOGHLLCNSKEWJY-INIZCTEOSA-N 1 1 360.520 1.461 50 0 FDAAMO C[N@@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3cccc4cccnc43)C[C@H]21 ZINC000257191539 672630872 /nfs/dbraw/zinc/63/08/72/672630872.db2.gz PUQVPKDLQMPNLN-HZPDHXFCSA-N 1 1 361.467 1.576 50 0 FDAAMO C[N@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3cccc4cccnc43)C[C@H]21 ZINC000257191539 672630877 /nfs/dbraw/zinc/63/08/77/672630877.db2.gz PUQVPKDLQMPNLN-HZPDHXFCSA-N 1 1 361.467 1.576 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CO)C1CC1 ZINC000257188085 672630889 /nfs/dbraw/zinc/63/08/89/672630889.db2.gz DLYSQWXGIIQDAD-DZGCQCFKSA-N 1 1 358.360 1.904 50 0 FDAAMO CN1CC[C@]2(CN(CCn3c4ccccc4oc3=O)CC[N@H+]2C)CCC1=O ZINC000095387659 784315822 /nfs/dbraw/zinc/31/58/22/784315822.db2.gz FPOSWPZENZUSGS-FQEVSTJZSA-N 1 1 372.469 1.223 50 0 FDAAMO O=C1CN(Cc2cn(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nn2)CCN1 ZINC000023505337 786875490 /nfs/dbraw/zinc/87/54/90/786875490.db2.gz XOYQSPGJLZMEFH-SFHVURJKSA-N 1 1 368.485 1.122 50 0 FDAAMO O[C@H]1C[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000020538825 792499940 /nfs/dbraw/zinc/49/99/40/792499940.db2.gz DOLCYYDEBMDKCM-ROUUACIJSA-N 1 1 356.426 1.146 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CCN(C(=O)NCc1ccco1)CC2 ZINC000675011006 795203152 /nfs/dbraw/zinc/20/31/52/795203152.db2.gz PINQOYQWWSXOSL-KRWDZBQOSA-N 1 1 374.485 1.898 50 0 FDAAMO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCCC2)N1 ZINC000675017126 795230799 /nfs/dbraw/zinc/23/07/99/795230799.db2.gz KDHOCDYUQFCKLW-HNNXBMFYSA-N 1 1 359.474 1.164 50 0 FDAAMO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCCC2)[NH2+]1 ZINC000675017126 795230801 /nfs/dbraw/zinc/23/08/01/795230801.db2.gz KDHOCDYUQFCKLW-HNNXBMFYSA-N 1 1 359.474 1.164 50 0 FDAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1C ZINC000169751629 864483677 /nfs/dbraw/zinc/48/36/77/864483677.db2.gz PQCJWEYJWOOTKP-UHFFFAOYSA-N 1 1 368.481 1.824 50 0 FDAAMO OC[C@@]1(Cc2ccc(F)cc2)CCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000377178834 901716026 /nfs/dbraw/zinc/71/60/26/901716026.db2.gz KBEWABPCSPVKME-HXUWFJFHSA-N 1 1 372.444 1.884 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCc2csc(-c3cnccn3)n2)C1 ZINC000821758581 919993985 /nfs/dbraw/zinc/99/39/85/919993985.db2.gz KUWLNGTUHOVJMW-CQSZACIVSA-N 1 1 361.471 1.716 50 0 FDAAMO CCc1nc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(=O)n(C)c3)C2)[nH]1 ZINC000823550029 921924494 /nfs/dbraw/zinc/92/44/94/921924494.db2.gz SYUCTXUKTSYMTF-HNNXBMFYSA-N 1 1 371.485 1.621 50 0 FDAAMO Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)C2(C)C)ccc1NC(=O)C[NH+](C)C ZINC000823676155 921999043 /nfs/dbraw/zinc/99/90/43/921999043.db2.gz LBPWJHLXPUZXJV-AWEZNQCLSA-N 1 1 360.458 1.691 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)/C=C/c2cnc(N(C)C)nc2)C[C@H]1CCO ZINC000828747098 924932764 /nfs/dbraw/zinc/93/27/64/924932764.db2.gz DVIFSKANBTYXJS-FUTAKVPZSA-N 1 1 361.490 1.107 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(=O)[nH]1 ZINC000828928298 924978254 /nfs/dbraw/zinc/97/82/54/924978254.db2.gz BSEQPMSBZJFMND-QOSBUDKSSA-N 1 1 364.449 1.085 50 0 FDAAMO CCCn1c(C)c[nH+]c1[C@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1 ZINC000581816278 927609492 /nfs/dbraw/zinc/60/94/92/927609492.db2.gz RCENBKJCFQNKMH-AWEZNQCLSA-N 1 1 351.476 1.996 50 0 FDAAMO COCCN1C(=O)CC[C@]2(C(=O)N3CC[NH+](C(C)C)CC3)CCCC=C12 ZINC000581821605 927616795 /nfs/dbraw/zinc/61/67/95/927616795.db2.gz VYSBHWMBANIXMM-HXUWFJFHSA-N 1 1 363.502 1.862 50 0 FDAAMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000585086003 943928580 /nfs/dbraw/zinc/92/85/80/943928580.db2.gz UEXOFLPSSLATRG-ZDUSSCGKSA-N 1 1 360.426 1.778 50 0 FDAAMO CC(=O)c1c(C)nn(CC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1C ZINC000952869134 960210242 /nfs/dbraw/zinc/21/02/42/960210242.db2.gz IPKNZZTVMYJJSS-UHFFFAOYSA-N 1 1 371.441 1.841 50 0 FDAAMO O=C(/C=C/c1cc(CO)cs1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000952966370 960253462 /nfs/dbraw/zinc/25/34/62/960253462.db2.gz UWZAPFDATLHSNQ-DWTRPJMMSA-N 1 1 350.484 1.967 50 0 FDAAMO COc1nccnc1N1CCC2(CC1)C[N@H+](Cc1c(C)noc1C)CCO2 ZINC000952973971 960268735 /nfs/dbraw/zinc/26/87/35/960268735.db2.gz KMJMYEWIEXYLLA-UHFFFAOYSA-N 1 1 373.457 1.961 50 0 FDAAMO COc1nccnc1N1CCC2(CC1)C[N@@H+](Cc1c(C)noc1C)CCO2 ZINC000952973971 960268745 /nfs/dbraw/zinc/26/87/45/960268745.db2.gz KMJMYEWIEXYLLA-UHFFFAOYSA-N 1 1 373.457 1.961 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(NC(=O)c2cccnc2)c1)N1CC[NH+](C)CC1 ZINC000952981124 960294400 /nfs/dbraw/zinc/29/44/00/960294400.db2.gz UTGNUALQVYDRHT-OAHLLOKOSA-N 1 1 367.453 1.908 50 0 FDAAMO Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096137971 1015017955 /nfs/dbraw/zinc/01/79/55/1015017955.db2.gz QHPUYTAQJSYDPF-LPHOPBHVSA-N 1 1 360.458 1.227 50 0 FDAAMO Cc1[nH+]ccn1CC[N@H+]1C[C@H]2CN(C(=O)C3CCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096137971 1015017966 /nfs/dbraw/zinc/01/79/66/1015017966.db2.gz QHPUYTAQJSYDPF-LPHOPBHVSA-N 1 1 360.458 1.227 50 0 FDAAMO OC1CN(c2nc(NCc3cc(C4CC4)n[nH]3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299796608 210038024 /nfs/dbraw/zinc/03/80/24/210038024.db2.gz NTIMJVUAUWELDA-GFCCVEGCSA-N 1 1 356.430 1.374 50 0 FDAAMO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000299791031 210034085 /nfs/dbraw/zinc/03/40/85/210034085.db2.gz BYUAYUHKDKDCGN-SFHVURJKSA-N 1 1 369.469 1.426 50 0 FDAAMO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000299791031 210034089 /nfs/dbraw/zinc/03/40/89/210034089.db2.gz BYUAYUHKDKDCGN-SFHVURJKSA-N 1 1 369.469 1.426 50 0 FDAAMO COc1ccc(CCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)cc1OC ZINC000299787825 210028684 /nfs/dbraw/zinc/02/86/84/210028684.db2.gz RDIBGXPZMFNBOO-YJBOKZPZSA-N 1 1 350.459 1.860 50 0 FDAAMO Cc1nc(-c2cccc(NC(=O)NCC[N@H+]3CCCC[C@H]3CO)c2)n[nH]1 ZINC000299783562 210026947 /nfs/dbraw/zinc/02/69/47/210026947.db2.gz WGBSZESOQMVIKT-INIZCTEOSA-N 1 1 358.446 1.748 50 0 FDAAMO Cc1cc(C)nc(-c2cccc(C(=O)N3CC[NH+](CCCO)CC3)c2)n1 ZINC000299779843 210025695 /nfs/dbraw/zinc/02/56/95/210025695.db2.gz LGGAJVJOYIJQNW-UHFFFAOYSA-N 1 1 354.454 1.901 50 0 FDAAMO C[NH+](C)CCOc1cccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299778802 210023759 /nfs/dbraw/zinc/02/37/59/210023759.db2.gz OESNULGAAXWCAB-RBUKOAKNSA-N 1 1 357.458 1.564 50 0 FDAAMO O=C(NCCCc1nccs1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000299772514 210018395 /nfs/dbraw/zinc/01/83/95/210018395.db2.gz AJAKJGKEZNMXSZ-CQSZACIVSA-N 1 1 371.528 1.091 50 0 FDAAMO OC1CN(c2nc(N3CC(c4ccccn4)C3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299772491 210019744 /nfs/dbraw/zinc/01/97/44/210019744.db2.gz ZJMTYQCQTMMRCM-CYBMUJFWSA-N 1 1 353.426 1.160 50 0 FDAAMO OC1CN(c2nc(NCCNc3cccnc3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299763640 210012507 /nfs/dbraw/zinc/01/25/07/210012507.db2.gz PYWXVSTZTZINMF-CYBMUJFWSA-N 1 1 356.430 1.080 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 ZINC000534634944 540392116 /nfs/dbraw/zinc/39/21/16/540392116.db2.gz NRHUEFUHTLVRCJ-QGZVFWFLSA-N 1 1 360.506 1.393 50 0 FDAAMO C[NH+]1CCN(c2ccc(-c3cccc(C(=O)N[C@H]4CCOC4)c3)nn2)CC1 ZINC000534636983 540393080 /nfs/dbraw/zinc/39/30/80/540393080.db2.gz IFEAPODBMURLDA-KRWDZBQOSA-N 1 1 367.453 1.414 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)N2CC(Oc3ccc(F)cc3)C2)CC1 ZINC000534639199 540393171 /nfs/dbraw/zinc/39/31/71/540393171.db2.gz GRFRNSYJNJRZFE-UHFFFAOYSA-N 1 1 364.465 1.626 50 0 FDAAMO Cc1ccc(-c2noc([C@@H](C)NC(=O)N3CC[NH+](CCCO)CC3)n2)cc1 ZINC000534655888 540395183 /nfs/dbraw/zinc/39/51/83/540395183.db2.gz XDKIPNINWRHOII-OAHLLOKOSA-N 1 1 373.457 1.816 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@@H+](C/C=C/c1ccco1)CC2)[C@@H]1CCOC1 ZINC000064031705 212037781 /nfs/dbraw/zinc/03/77/81/212037781.db2.gz ZMWXJGHBVGVRKV-BQTXGFLSSA-N 1 1 371.441 1.095 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](C/C=C/c1ccco1)CC2)[C@@H]1CCOC1 ZINC000064031705 212037785 /nfs/dbraw/zinc/03/77/85/212037785.db2.gz ZMWXJGHBVGVRKV-BQTXGFLSSA-N 1 1 371.441 1.095 50 0 FDAAMO CC(C)[N@@H+](C)CCCCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000060321432 212020429 /nfs/dbraw/zinc/02/04/29/212020429.db2.gz FTYIIPLLSJLFEB-UHFFFAOYSA-N 1 1 368.503 1.276 50 0 FDAAMO Cc1ccc([C@H](CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000058264603 212001684 /nfs/dbraw/zinc/00/16/84/212001684.db2.gz MRMRMWUUXVXFFZ-CVEARBPZSA-N 1 1 370.540 1.634 50 0 FDAAMO CCc1c(C)nc2n(c1=O)[C@H](CC(=O)N1CC[NH+](CC)CC1)CS2 ZINC000014035409 220104055 /nfs/dbraw/zinc/10/40/55/220104055.db2.gz IIRADWGPYHCXCN-CYBMUJFWSA-N 1 1 350.488 1.315 50 0 FDAAMO Cc1c(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000023360775 211383381 /nfs/dbraw/zinc/38/33/81/211383381.db2.gz KWOSECZZKJAQOX-IBGZPJMESA-N 1 1 372.513 1.761 50 0 FDAAMO Cc1nn(CCC(=O)NCCC[NH+]2CCOCC2)c(C)c1Br ZINC000022289121 211346687 /nfs/dbraw/zinc/34/66/87/211346687.db2.gz QVJOBMASNURZLS-UHFFFAOYSA-N 1 1 373.295 1.491 50 0 FDAAMO CC(C)(CO)NC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000020781250 211294765 /nfs/dbraw/zinc/29/47/65/211294765.db2.gz XMIMZLVKURVOFI-UHFFFAOYSA-N 1 1 372.469 1.493 50 0 FDAAMO CN1CCC([N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000020599371 211289821 /nfs/dbraw/zinc/28/98/21/211289821.db2.gz CCRXLJCDMDEGBQ-IBGZPJMESA-N 1 1 353.457 1.928 50 0 FDAAMO CN1CCC([N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)CC1 ZINC000020599371 211289825 /nfs/dbraw/zinc/28/98/25/211289825.db2.gz CCRXLJCDMDEGBQ-IBGZPJMESA-N 1 1 353.457 1.928 50 0 FDAAMO Cn1ccnc1CN1CCC2(CC1)c1ccccc1[C@@H]([N@@H+](C)CCO)[C@@H]2O ZINC000020454798 211282275 /nfs/dbraw/zinc/28/22/75/211282275.db2.gz KIHVGWKPRNXVOA-UXHICEINSA-N 1 1 370.497 1.294 50 0 FDAAMO CCCCN1C(=O)NC(=O)C(=C(CC)NCCC[NH+](CC)CC)C1=O ZINC000020324086 211275487 /nfs/dbraw/zinc/27/54/87/211275487.db2.gz GJBRTOQSHUBBEC-CCEZHUSRSA-N 1 1 352.479 1.851 50 0 FDAAMO CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019797199 211257390 /nfs/dbraw/zinc/25/73/90/211257390.db2.gz AATWWDFQVIUEPA-STQMWFEESA-N 1 1 351.877 1.279 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)cc1 ZINC000019225316 211206159 /nfs/dbraw/zinc/20/61/59/211206159.db2.gz RNCZOMGLXSVSFD-LJQANCHMSA-N 1 1 373.497 1.572 50 0 FDAAMO O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCCC[NH+]1CCOCC1 ZINC000015766470 211141738 /nfs/dbraw/zinc/14/17/38/211141738.db2.gz AFDIQXXSZAEFHE-UHFFFAOYSA-N 1 1 353.806 1.086 50 0 FDAAMO COCC[N@@H+](C)[C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014540949 211095371 /nfs/dbraw/zinc/09/53/71/211095371.db2.gz RVBWZFLDPDNHNY-QGZVFWFLSA-N 1 1 370.497 1.828 50 0 FDAAMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000014535216 211094397 /nfs/dbraw/zinc/09/43/97/211094397.db2.gz UXDFSHDFKCEWTM-VQTJNVASSA-N 1 1 363.461 1.783 50 0 FDAAMO CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCN2C(=O)[C@@H]1Cc1ccccc1 ZINC000014535216 211094400 /nfs/dbraw/zinc/09/44/00/211094400.db2.gz UXDFSHDFKCEWTM-VQTJNVASSA-N 1 1 363.461 1.783 50 0 FDAAMO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([N@@H+](C)CCO)C2 ZINC000014749562 211100834 /nfs/dbraw/zinc/10/08/34/211100834.db2.gz AQIPUQRRAFJCAC-CQSZACIVSA-N 1 1 360.433 1.271 50 0 FDAAMO CN(Cc1cc(=O)[nH]c2ccccc12)C(=S)NCCC[NH+]1CCOCC1 ZINC000013691520 211050203 /nfs/dbraw/zinc/05/02/03/211050203.db2.gz JJSLOKRLTIPJOL-UHFFFAOYSA-N 1 1 374.510 1.557 50 0 FDAAMO Cc1ccc(C)c(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000013678552 211048301 /nfs/dbraw/zinc/04/83/01/211048301.db2.gz VAXSQPVMEGRKCE-OAHLLOKOSA-N 1 1 353.488 1.232 50 0 FDAAMO Cc1ccc(N2C[C@H](NC(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000022664424 220394329 /nfs/dbraw/zinc/39/43/29/220394329.db2.gz KUXAFCPQKILSGA-MRXNPFEDSA-N 1 1 360.458 1.122 50 0 FDAAMO CC(C)C[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+]1CCOCC1 ZINC000048290506 221004929 /nfs/dbraw/zinc/00/49/29/221004929.db2.gz KZIYSLRMGGFZKN-MRXNPFEDSA-N 1 1 372.469 1.260 50 0 FDAAMO NC(=O)c1ccccc1NC(=O)CN1CCC[N@@H+](Cc2cccs2)CC1 ZINC000058171564 221102863 /nfs/dbraw/zinc/10/28/63/221102863.db2.gz YNUZDULRLLUJGO-UHFFFAOYSA-N 1 1 372.494 1.993 50 0 FDAAMO Cc1nc(NCCNC(=O)c2ccc3c(c2)OCO3)cc(N2CCCC2)[nH+]1 ZINC000065362869 221202590 /nfs/dbraw/zinc/20/25/90/221202590.db2.gz VSXHNCJZEGMWCV-UHFFFAOYSA-N 1 1 369.425 1.956 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2)cc(N(C)C)[nH+]1 ZINC000065362884 221202728 /nfs/dbraw/zinc/20/27/28/221202728.db2.gz VURQUGCPRNBHDA-UHFFFAOYSA-N 1 1 353.423 1.381 50 0 FDAAMO Cc1nn(C)cc1CN1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000067654858 221265878 /nfs/dbraw/zinc/26/58/78/221265878.db2.gz HENWKIVTEDODGK-MRXNPFEDSA-N 1 1 359.518 1.684 50 0 FDAAMO COCC(=O)N1CCC[N@@H+](Cc2cc(=O)n3c4c(cccc24)CCC3)CC1 ZINC000067514940 221258385 /nfs/dbraw/zinc/25/83/85/221258385.db2.gz LHZSHHQYRQWNHJ-UHFFFAOYSA-N 1 1 369.465 1.628 50 0 FDAAMO COc1ccccc1C(=O)NCCNc1cc(-n2cccn2)nc(C)[nH+]1 ZINC000067614099 221263434 /nfs/dbraw/zinc/26/34/34/221263434.db2.gz YVCUIVFGROFODO-UHFFFAOYSA-N 1 1 352.398 1.821 50 0 FDAAMO Cc1nc[nH]c1C[NH+]1CCC([C@]2(c3ccccn3)NC(=O)NC2=O)CC1 ZINC000067714672 221276875 /nfs/dbraw/zinc/27/68/75/221276875.db2.gz LKIOQXXXALZUBO-GOSISDBHSA-N 1 1 354.414 1.060 50 0 FDAAMO CC(C)c1cc(C2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)[nH]n1 ZINC000067689172 221271622 /nfs/dbraw/zinc/27/16/22/221271622.db2.gz SKNUQOPFSVLPCZ-HNNXBMFYSA-N 1 1 361.490 1.436 50 0 FDAAMO Cc1ccc2[nH]c(=O)c(C[NH+]3CCN(CC(=O)N4CCCC4)CC3)cc2c1 ZINC000067754859 221280478 /nfs/dbraw/zinc/28/04/78/221280478.db2.gz RIACOCYGSGSQDL-UHFFFAOYSA-N 1 1 368.481 1.577 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCOCC1 ZINC000067743175 221280861 /nfs/dbraw/zinc/28/08/61/221280861.db2.gz VIWYBQDBBZAPCD-LJQANCHMSA-N 1 1 372.513 1.617 50 0 FDAAMO C[N@@H+](CCC(C)(C)O)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067787062 221285840 /nfs/dbraw/zinc/28/58/40/221285840.db2.gz KGICQDFXRZZQMP-IBGZPJMESA-N 1 1 370.440 1.911 50 0 FDAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C1 ZINC000067803324 221287391 /nfs/dbraw/zinc/28/73/91/221287391.db2.gz ZSFNDSCWBBEDSQ-LBPRGKRZSA-N 1 1 359.426 1.503 50 0 FDAAMO CNC(=O)C[C@H](C)[N@@H+](C)Cc1cccc(C(=O)Nc2cn(C)nc2C)c1 ZINC000067821105 221291457 /nfs/dbraw/zinc/29/14/57/221291457.db2.gz PAAMPGSAXQNVRM-ZDUSSCGKSA-N 1 1 357.458 1.937 50 0 FDAAMO COc1ccc(OCC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)cc1 ZINC000067847066 221293752 /nfs/dbraw/zinc/29/37/52/221293752.db2.gz VXUOHMVQAOSCOW-UHFFFAOYSA-N 1 1 361.486 1.703 50 0 FDAAMO COc1ccc(OCC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000067847066 221293755 /nfs/dbraw/zinc/29/37/55/221293755.db2.gz VXUOHMVQAOSCOW-UHFFFAOYSA-N 1 1 361.486 1.703 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c[nH]c(C)n3)CC2)C1 ZINC000067847865 221293836 /nfs/dbraw/zinc/29/38/36/221293836.db2.gz FHGCHJRVKRPYPH-INIZCTEOSA-N 1 1 363.506 1.157 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cnc(C)[nH]3)CC2)C1 ZINC000067847865 221293838 /nfs/dbraw/zinc/29/38/38/221293838.db2.gz FHGCHJRVKRPYPH-INIZCTEOSA-N 1 1 363.506 1.157 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cnc(C)[nH]3)CC2)C1 ZINC000067847865 221293841 /nfs/dbraw/zinc/29/38/41/221293841.db2.gz FHGCHJRVKRPYPH-INIZCTEOSA-N 1 1 363.506 1.157 50 0 FDAAMO CN1CCN(Cc2ccc(-c3ccc(F)c4c3O[C@H](C[NH3+])C4)nc2)CC1 ZINC000067909997 221303979 /nfs/dbraw/zinc/30/39/79/221303979.db2.gz SROUAWAKYKWKPW-HNNXBMFYSA-N 1 1 356.445 1.897 50 0 FDAAMO CS(=O)(=O)NCCc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000069741170 221328851 /nfs/dbraw/zinc/32/88/51/221328851.db2.gz HONUIZWQSFYBOL-GFCCVEGCSA-N 1 1 371.528 1.054 50 0 FDAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071404151 221345811 /nfs/dbraw/zinc/34/58/11/221345811.db2.gz DEQCPZOZXWVQGM-AWEZNQCLSA-N 1 1 359.474 1.015 50 0 FDAAMO Cn1cncc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071747777 221359579 /nfs/dbraw/zinc/35/95/79/221359579.db2.gz QQLZEPKLGHDBBX-CQSZACIVSA-N 1 1 359.474 1.015 50 0 FDAAMO C[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000071846719 221382573 /nfs/dbraw/zinc/38/25/73/221382573.db2.gz UXJBSPAZUDRBPU-LBPRGKRZSA-N 1 1 368.434 1.385 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCCN1Cc1ccc(F)cc1 ZINC000071767512 221372455 /nfs/dbraw/zinc/37/24/55/221372455.db2.gz WITHSMOFSQTQJM-SFHVURJKSA-N 1 1 374.460 1.935 50 0 FDAAMO CC(C)[C@@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071767512 221372457 /nfs/dbraw/zinc/37/24/57/221372457.db2.gz WITHSMOFSQTQJM-SFHVURJKSA-N 1 1 374.460 1.935 50 0 FDAAMO CC(C)[C@@H]1CN(Cc2c[nH]c(=O)[nH]c2=O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071767512 221372461 /nfs/dbraw/zinc/37/24/61/221372461.db2.gz WITHSMOFSQTQJM-SFHVURJKSA-N 1 1 374.460 1.935 50 0 FDAAMO O=C(NCCCCO)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071765317 221372844 /nfs/dbraw/zinc/37/28/44/221372844.db2.gz ILBKISUERDPJDK-IBGZPJMESA-N 1 1 374.529 1.647 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)[nH+]1 ZINC000077134115 132179077 /nfs/dbraw/zinc/17/90/77/132179077.db2.gz DCVGEXVOSJVUTC-OAHLLOKOSA-N 1 1 369.469 1.967 50 0 FDAAMO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1cnc(N2CCOCC2)nc1 ZINC000077484740 132186618 /nfs/dbraw/zinc/18/66/18/132186618.db2.gz KYHRDYFQFZZREF-GOSISDBHSA-N 1 1 373.501 1.680 50 0 FDAAMO CCc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)nc(N(C)C)n1 ZINC000091616980 132202405 /nfs/dbraw/zinc/20/24/05/132202405.db2.gz CETNPKMJNOAKAB-IBGZPJMESA-N 1 1 360.506 1.238 50 0 FDAAMO Nc1cc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)nc[nH+]1 ZINC000095363272 132208168 /nfs/dbraw/zinc/20/81/68/132208168.db2.gz QBPXFXUFYGUQDK-UHFFFAOYSA-N 1 1 366.433 1.009 50 0 FDAAMO O=C([C@@H](c1cccnc1)[NH+]1CCCC1)N1CCN(c2cnccn2)CC1 ZINC000095372056 132208829 /nfs/dbraw/zinc/20/88/29/132208829.db2.gz IZFRRUWHEXQJPZ-GOSISDBHSA-N 1 1 352.442 1.357 50 0 FDAAMO CCc1cc(N2CCC([NH2+][C@H](CC)c3ncnn3C)CC2)nc(N(C)C)n1 ZINC000095522718 132214110 /nfs/dbraw/zinc/21/41/10/132214110.db2.gz NPGKHYDQGWPQDU-MRXNPFEDSA-N 1 1 372.521 1.943 50 0 FDAAMO Cc1cc(C)n([C@@H](C)CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)n1 ZINC000097732396 132230754 /nfs/dbraw/zinc/23/07/54/132230754.db2.gz PUGZLGIEBAVNIM-HNNXBMFYSA-N 1 1 371.489 1.341 50 0 FDAAMO Nc1nc(NC2CC2)cc(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000106981190 132265982 /nfs/dbraw/zinc/26/59/82/132265982.db2.gz HWXWIQFSQBZZIU-QGZVFWFLSA-N 1 1 368.485 1.706 50 0 FDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000223169838 132278871 /nfs/dbraw/zinc/27/88/71/132278871.db2.gz OHBCYKRKQWEBMJ-GOSISDBHSA-N 1 1 351.454 1.620 50 0 FDAAMO O=C(C[N@H+]1CCc2ccccc2C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000223169838 132278873 /nfs/dbraw/zinc/27/88/73/132278873.db2.gz OHBCYKRKQWEBMJ-GOSISDBHSA-N 1 1 351.454 1.620 50 0 FDAAMO CNc1nc(N2CCC(O)(Cn3ccnc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299790745 132300373 /nfs/dbraw/zinc/30/03/73/132300373.db2.gz BKCUFNLSKQLOOY-CQSZACIVSA-N 1 1 358.446 1.250 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071774530 136140965 /nfs/dbraw/zinc/14/09/65/136140965.db2.gz DTGNYPGKJAQMKG-AWEZNQCLSA-N 1 1 368.485 1.917 50 0 FDAAMO O=C(C1CCCCC1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072441848 136147730 /nfs/dbraw/zinc/14/77/30/136147730.db2.gz VOUFYTIZTLZMCF-UHFFFAOYSA-N 1 1 359.474 1.542 50 0 FDAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)cc1 ZINC000091780177 221794805 /nfs/dbraw/zinc/79/48/05/221794805.db2.gz AWASUODORAFQAR-OAHLLOKOSA-N 1 1 355.398 1.079 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3sccc3Cl)C[C@@H]2CO)CC1 ZINC000095387924 221894126 /nfs/dbraw/zinc/89/41/26/221894126.db2.gz BERJEIGRIMOKSY-CHWSQXEVSA-N 1 1 357.907 1.329 50 0 FDAAMO COCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000096137756 222041366 /nfs/dbraw/zinc/04/13/66/222041366.db2.gz IKKVAVMFDCDFHC-YLJYHZDGSA-N 1 1 370.453 1.542 50 0 FDAAMO COCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000096137756 222041370 /nfs/dbraw/zinc/04/13/70/222041370.db2.gz IKKVAVMFDCDFHC-YLJYHZDGSA-N 1 1 370.453 1.542 50 0 FDAAMO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@]2(C(=O)[O-])C1 ZINC000096137756 222041374 /nfs/dbraw/zinc/04/13/74/222041374.db2.gz IKKVAVMFDCDFHC-YLJYHZDGSA-N 1 1 370.453 1.542 50 0 FDAAMO Cc1nc(CN2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)n(C)n1 ZINC000096148542 222049837 /nfs/dbraw/zinc/04/98/37/222049837.db2.gz KNKBEYPLDXRDSG-UHFFFAOYSA-N 1 1 369.477 1.185 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(F)c(Cl)c2F)C[N@@H+]1C ZINC000096164779 222064436 /nfs/dbraw/zinc/06/44/36/222064436.db2.gz KWUJKMPWGCXQJI-JQWIXIFHSA-N 1 1 359.804 1.486 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(F)c(Cl)c2F)C[N@H+]1C ZINC000096164779 222064440 /nfs/dbraw/zinc/06/44/40/222064440.db2.gz KWUJKMPWGCXQJI-JQWIXIFHSA-N 1 1 359.804 1.486 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)c(OC)cc2=O)CC1 ZINC000096184160 222071115 /nfs/dbraw/zinc/07/11/15/222071115.db2.gz LILZUXGKZBKKRE-UHFFFAOYSA-N 1 1 356.426 1.083 50 0 FDAAMO C[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000096569063 222125429 /nfs/dbraw/zinc/12/54/29/222125429.db2.gz GLAGTDSBIHVAMV-CYBMUJFWSA-N 1 1 352.232 1.328 50 0 FDAAMO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000097307632 222175085 /nfs/dbraw/zinc/17/50/85/222175085.db2.gz WZFNCFPFAHBDFJ-OAHLLOKOSA-N 1 1 358.442 1.662 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)c2cccc(-c3cn[nH]c3)c2)CC1)NC1CC1 ZINC000097475643 222184554 /nfs/dbraw/zinc/18/45/54/222184554.db2.gz SCCDJBWRECWQOL-UHFFFAOYSA-N 1 1 367.453 1.550 50 0 FDAAMO Cn1c(CO)nnc1C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000097475609 222184624 /nfs/dbraw/zinc/18/46/24/222184624.db2.gz BYJVOLWNQNIUAV-UHFFFAOYSA-N 1 1 354.414 1.737 50 0 FDAAMO CC[N@H+]1CC[C@@H](C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000097515097 222188345 /nfs/dbraw/zinc/18/83/45/222188345.db2.gz KNSRJKIWQRHHKV-OAHLLOKOSA-N 1 1 365.499 1.298 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000097713479 222207024 /nfs/dbraw/zinc/20/70/24/222207024.db2.gz NOVWLCHSYQBDMA-CYBMUJFWSA-N 1 1 362.503 1.744 50 0 FDAAMO O=C1C[C@@H](N2CC[NH+](CCO)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000100071654 222234413 /nfs/dbraw/zinc/23/44/13/222234413.db2.gz YZLBBZJYXQKKJI-CQSZACIVSA-N 1 1 372.252 1.235 50 0 FDAAMO C[N@H+](Cc1nc2ccccc2[nH]1)C[C@H]1[C@@H]2CN(C(=O)N3CCOCC3)C[C@H]12 ZINC000102176905 222290639 /nfs/dbraw/zinc/29/06/39/222290639.db2.gz XDNWLVRWWLRYHP-PHZGNYQRSA-N 1 1 369.469 1.625 50 0 FDAAMO NC(=O)c1csc(N2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)n1 ZINC000106975601 222390913 /nfs/dbraw/zinc/39/09/13/222390913.db2.gz XJAFETQGQYBWJF-GFCCVEGCSA-N 1 1 352.485 1.377 50 0 FDAAMO NC(=O)c1csc(N2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)n1 ZINC000106975601 222390917 /nfs/dbraw/zinc/39/09/17/222390917.db2.gz XJAFETQGQYBWJF-GFCCVEGCSA-N 1 1 352.485 1.377 50 0 FDAAMO CN(Cc1cc(-c2ccccc2)no1)c1nc(N(C)C[C@@H](O)CO)cc[nH+]1 ZINC000108030722 222407758 /nfs/dbraw/zinc/40/77/58/222407758.db2.gz JZVRUFCGCLLKAH-OAHLLOKOSA-N 1 1 369.425 1.557 50 0 FDAAMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@@H](C)O1 ZINC000329426483 259095663 /nfs/dbraw/zinc/09/56/63/259095663.db2.gz JCYNQABZLBTIKI-HUUCEWRRSA-N 1 1 350.463 1.151 50 0 FDAAMO C[C@@H](CN1CCOCC1)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374767663 261192878 /nfs/dbraw/zinc/19/28/78/261192878.db2.gz YGOZYDPOGPYPGD-HNNXBMFYSA-N 1 1 352.500 1.211 50 0 FDAAMO C[C@@H](CN1CCOCC1)[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374767663 261192879 /nfs/dbraw/zinc/19/28/79/261192879.db2.gz YGOZYDPOGPYPGD-HNNXBMFYSA-N 1 1 352.500 1.211 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](c2ccn(CCO)n2)C1)N1CCOc2ccccc21 ZINC000426500402 263609035 /nfs/dbraw/zinc/60/90/35/263609035.db2.gz ZHNBJYFDXJKOSZ-MRXNPFEDSA-N 1 1 370.453 1.480 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](c2ccn(CCO)n2)C1)N1CCOc2ccccc21 ZINC000426500402 263609037 /nfs/dbraw/zinc/60/90/37/263609037.db2.gz ZHNBJYFDXJKOSZ-MRXNPFEDSA-N 1 1 370.453 1.480 50 0 FDAAMO CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000002861108 518253268 /nfs/dbraw/zinc/25/32/68/518253268.db2.gz JZBPQVQUXVPEQO-VIFPVBQESA-N 1 1 361.427 1.937 50 0 FDAAMO C[NH+](C)CCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000004676859 518307011 /nfs/dbraw/zinc/30/70/11/518307011.db2.gz XYJFKVMLEXATPE-MRXNPFEDSA-N 1 1 361.829 1.604 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC000004778683 518313221 /nfs/dbraw/zinc/31/32/21/518313221.db2.gz FRUICLCKDDNIKG-HNNXBMFYSA-N 1 1 351.472 1.270 50 0 FDAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C ZINC000004930470 518319313 /nfs/dbraw/zinc/31/93/13/518319313.db2.gz TZDQJGGASZQTSE-AWEZNQCLSA-N 1 1 361.490 1.854 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(C)C ZINC000004930470 518319320 /nfs/dbraw/zinc/31/93/20/518319320.db2.gz TZDQJGGASZQTSE-AWEZNQCLSA-N 1 1 361.490 1.854 50 0 FDAAMO CC[NH+]1CCN(C(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)CC1 ZINC000006318751 518366959 /nfs/dbraw/zinc/36/69/59/518366959.db2.gz NYTCTLWVMYOBAR-UHFFFAOYSA-N 1 1 370.544 1.580 50 0 FDAAMO COC(=O)c1cc(S(=O)(=O)NCCC[N@@H+](C)Cc2ccccc2)c[nH]1 ZINC000006893718 518391746 /nfs/dbraw/zinc/39/17/46/518391746.db2.gz KURNHNACPRMEHT-UHFFFAOYSA-N 1 1 365.455 1.602 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)CC1 ZINC000008882655 518489982 /nfs/dbraw/zinc/48/99/82/518489982.db2.gz IRXXUQSBFBXCIU-UHFFFAOYSA-N 1 1 365.499 1.557 50 0 FDAAMO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1cn2c(n1)SCC2 ZINC000012305196 518602434 /nfs/dbraw/zinc/60/24/34/518602434.db2.gz JWBJEOJPMFVIPJ-QGZVFWFLSA-N 1 1 350.488 1.232 50 0 FDAAMO CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000012507737 518616630 /nfs/dbraw/zinc/61/66/30/518616630.db2.gz STFFXWZEXQCGTQ-UHFFFAOYSA-N 1 1 366.830 1.448 50 0 FDAAMO COc1cc(C[NH2+]C(C)C)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012593351 518622942 /nfs/dbraw/zinc/62/29/42/518622942.db2.gz WECRJSDZEOXDOB-MRXNPFEDSA-N 1 1 354.516 1.982 50 0 FDAAMO CCCN1C(=O)C(=O)N(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000014244842 518686607 /nfs/dbraw/zinc/68/66/07/518686607.db2.gz FWTQKRHEEXHQCJ-AWEZNQCLSA-N 1 1 372.425 1.495 50 0 FDAAMO CCCN1C(=O)C(=O)N(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000014244842 518686611 /nfs/dbraw/zinc/68/66/11/518686611.db2.gz FWTQKRHEEXHQCJ-AWEZNQCLSA-N 1 1 372.425 1.495 50 0 FDAAMO CC(C)[C@H](CNC(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000026302254 519115271 /nfs/dbraw/zinc/11/52/71/519115271.db2.gz AXNONMDLHPSRLR-IBGZPJMESA-N 1 1 360.502 1.875 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)CC1 ZINC000091595549 519512275 /nfs/dbraw/zinc/51/22/75/519512275.db2.gz HWUPFZUKMSRKDI-INIZCTEOSA-N 1 1 371.489 1.250 50 0 FDAAMO C[C@H](NC(N)=O)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975607 519557659 /nfs/dbraw/zinc/55/76/59/519557659.db2.gz XJDLRSOQIBBZBA-INIZCTEOSA-N 1 1 366.465 1.977 50 0 FDAAMO CC[C@H](C(=O)NCCC[NH+]1CCOCC1)N1c2ccccc2CCCC1=O ZINC000033249706 519582852 /nfs/dbraw/zinc/58/28/52/519582852.db2.gz BKZBKSWGVARZCQ-GOSISDBHSA-N 1 1 373.497 1.973 50 0 FDAAMO CC(C)CC(=O)N1CC[NH+]([C@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036249981 519618475 /nfs/dbraw/zinc/61/84/75/519618475.db2.gz SUGQKQUUHXIDAD-IBGZPJMESA-N 1 1 365.518 1.594 50 0 FDAAMO Cn1ncc2c1ncnc2N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000040040202 519638992 /nfs/dbraw/zinc/63/89/92/519638992.db2.gz DQZSLJOCJVOUFX-UHFFFAOYSA-N 1 1 356.405 1.703 50 0 FDAAMO COC(=O)c1oc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1C ZINC000040105777 519640305 /nfs/dbraw/zinc/64/03/05/519640305.db2.gz XKUWUKSZMDPQIV-CQSZACIVSA-N 1 1 350.415 1.445 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)c2cncc(Br)c2)CC1 ZINC000041443361 519656492 /nfs/dbraw/zinc/65/64/92/519656492.db2.gz NZBLKFSSGMIVDW-UHFFFAOYSA-N 1 1 355.280 1.602 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNc3nnnn3-c3ccccc3)cc2C1 ZINC000082086751 519732168 /nfs/dbraw/zinc/73/21/68/519732168.db2.gz VZLRPVAAIVPZOO-UHFFFAOYSA-N 1 1 352.446 1.943 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc1 ZINC000020450787 520976003 /nfs/dbraw/zinc/97/60/03/520976003.db2.gz RHFCTIGOXKGRPG-IBGZPJMESA-N 1 1 358.486 1.888 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc1 ZINC000020450787 520976011 /nfs/dbraw/zinc/97/60/11/520976011.db2.gz RHFCTIGOXKGRPG-IBGZPJMESA-N 1 1 358.486 1.888 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)NCc3cccnc3)Cc3ccccc3C2)CC1 ZINC000020994183 521671892 /nfs/dbraw/zinc/67/18/92/521671892.db2.gz CKPAWJVQQSRWNV-UHFFFAOYSA-N 1 1 364.493 1.873 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)NCc3ccon3)Cc3ccccc3C2)CC1 ZINC000020998321 521672008 /nfs/dbraw/zinc/67/20/08/521672008.db2.gz ZOKNJPCBBLSNLB-UHFFFAOYSA-N 1 1 354.454 1.466 50 0 FDAAMO Cc1ccc(NC(=O)C[NH2+]Cc2ccccn2)cc1S(=O)(=O)N(C)C ZINC000057376073 522077158 /nfs/dbraw/zinc/07/71/58/522077158.db2.gz CWZXCUQFTPHDNW-UHFFFAOYSA-N 1 1 362.455 1.369 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000072121752 522153757 /nfs/dbraw/zinc/15/37/57/522153757.db2.gz IQACDHJSIBTGKH-GOSISDBHSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000072121752 522153769 /nfs/dbraw/zinc/15/37/69/522153769.db2.gz IQACDHJSIBTGKH-GOSISDBHSA-N 1 1 358.486 1.809 50 0 FDAAMO COC(=O)CC[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072131972 522160644 /nfs/dbraw/zinc/16/06/44/522160644.db2.gz PQPAJBNLAXUUMB-CDHQVMDDSA-N 1 1 358.438 1.840 50 0 FDAAMO COC(=O)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072131972 522160651 /nfs/dbraw/zinc/16/06/51/522160651.db2.gz PQPAJBNLAXUUMB-CDHQVMDDSA-N 1 1 358.438 1.840 50 0 FDAAMO CCC(=O)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072133087 522162185 /nfs/dbraw/zinc/16/21/85/522162185.db2.gz WQMSDVVUHJAFTK-GDIGMMSISA-N 1 1 356.422 1.783 50 0 FDAAMO CCC(=O)C(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072137091 522164586 /nfs/dbraw/zinc/16/45/86/522164586.db2.gz WQMSDVVUHJAFTK-NIKGAXFTSA-N 1 1 356.422 1.783 50 0 FDAAMO CN(C)C(=O)NCC(=O)N(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072137215 522165362 /nfs/dbraw/zinc/16/53/62/522165362.db2.gz OSEKNXIYARJIER-SFHVURJKSA-N 1 1 360.502 1.813 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 ZINC000072163111 522187983 /nfs/dbraw/zinc/18/79/83/522187983.db2.gz BFRAKKONZGHTSP-MRXNPFEDSA-N 1 1 366.469 1.966 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccs1)C1CC1 ZINC000072166325 522195263 /nfs/dbraw/zinc/19/52/63/522195263.db2.gz FHSIBNYLRVYQQD-HNNXBMFYSA-N 1 1 364.515 1.871 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1nccs1)C1CC1 ZINC000072166325 522195265 /nfs/dbraw/zinc/19/52/65/522195265.db2.gz FHSIBNYLRVYQQD-HNNXBMFYSA-N 1 1 364.515 1.871 50 0 FDAAMO CCc1nc2c(cnn2C)c(NC2CC[NH+](CC(=O)NC3CC3)CC2)n1 ZINC000072169680 522197503 /nfs/dbraw/zinc/19/75/03/522197503.db2.gz XNLLIZRNFYGGJK-UHFFFAOYSA-N 1 1 357.462 1.081 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000058202985 522223384 /nfs/dbraw/zinc/22/33/84/522223384.db2.gz FOJWBTOJYOSJIZ-UHFFFAOYSA-N 1 1 350.488 1.967 50 0 FDAAMO CNS(=O)(=O)c1ccc(CN2CCC([N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000072410773 522242084 /nfs/dbraw/zinc/24/20/84/522242084.db2.gz LIXKEKINUXVPDZ-KRWDZBQOSA-N 1 1 367.515 1.016 50 0 FDAAMO CC1CC[NH+](Cc2cc3n(n2)CCN(C(=O)CCCn2cncn2)C3)CC1 ZINC000072411674 522245115 /nfs/dbraw/zinc/24/51/15/522245115.db2.gz WAHLWIQKZSNPAN-UHFFFAOYSA-N 1 1 371.489 1.529 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@@H+](CCCn3cnnn3)C2)CN1Cc1ccccn1 ZINC000072419028 522248566 /nfs/dbraw/zinc/24/85/66/522248566.db2.gz JRYXFWYLEOAZQW-LJQANCHMSA-N 1 1 369.473 1.363 50 0 FDAAMO O=C(COc1ccccc1O)N1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000072426137 522259677 /nfs/dbraw/zinc/25/96/77/522259677.db2.gz WAOHSJSJHHIQQF-GOSISDBHSA-N 1 1 370.449 1.866 50 0 FDAAMO O=C(COc1ccccc1O)N1CC[N@@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000072426137 522259691 /nfs/dbraw/zinc/25/96/91/522259691.db2.gz WAOHSJSJHHIQQF-GOSISDBHSA-N 1 1 370.449 1.866 50 0 FDAAMO NS(=O)(=O)c1ccsc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000072426342 522262041 /nfs/dbraw/zinc/26/20/41/522262041.db2.gz ZHDKGKDTYSIGRG-UHFFFAOYSA-N 1 1 357.501 1.486 50 0 FDAAMO O=C(NCc1csc(Cc2ccccc2)n1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072431987 522268228 /nfs/dbraw/zinc/26/82/28/522268228.db2.gz VSETWRYFUZRWBS-KRWDZBQOSA-N 1 1 353.451 1.960 50 0 FDAAMO O=C(c1ncccc1O)N1CC[N@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072434731 522271180 /nfs/dbraw/zinc/27/11/80/522271180.db2.gz ZKJSNKMVTXBWJQ-SFHVURJKSA-N 1 1 369.465 1.929 50 0 FDAAMO O=C(c1ncccc1O)N1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072434731 522271188 /nfs/dbraw/zinc/27/11/88/522271188.db2.gz ZKJSNKMVTXBWJQ-SFHVURJKSA-N 1 1 369.465 1.929 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000072432977 522271274 /nfs/dbraw/zinc/27/12/74/522271274.db2.gz XZUVXWGLJUVFLW-QGZVFWFLSA-N 1 1 351.450 1.992 50 0 FDAAMO Cc1ccccc1N1CCC[N@H+]([C@H]2CN(Cc3c[nH]cn3)C[C@@H]2O)CC1 ZINC000072432941 522272388 /nfs/dbraw/zinc/27/23/88/522272388.db2.gz NFKGSWRGKRCSPL-PMACEKPBSA-N 1 1 355.486 1.476 50 0 FDAAMO Cc1ccccc1N1CCC[N@@H+]([C@H]2CN(Cc3cnc[nH]3)C[C@@H]2O)CC1 ZINC000072432941 522272398 /nfs/dbraw/zinc/27/23/98/522272398.db2.gz NFKGSWRGKRCSPL-PMACEKPBSA-N 1 1 355.486 1.476 50 0 FDAAMO Cc1ccccc1N1CCC[N@H+]([C@H]2CN(Cc3cnc[nH]3)C[C@@H]2O)CC1 ZINC000072432941 522272409 /nfs/dbraw/zinc/27/24/09/522272409.db2.gz NFKGSWRGKRCSPL-PMACEKPBSA-N 1 1 355.486 1.476 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)n1 ZINC000072479582 522302259 /nfs/dbraw/zinc/30/22/59/522302259.db2.gz FFOFJAHJUUJREP-CYBMUJFWSA-N 1 1 354.336 1.073 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)c2n1 ZINC000072478554 522303731 /nfs/dbraw/zinc/30/37/31/522303731.db2.gz XHQKABXVTWUNCB-GOSISDBHSA-N 1 1 351.410 1.648 50 0 FDAAMO Cc1cc(=O)n2nc(NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)sc2n1 ZINC000048310858 522711791 /nfs/dbraw/zinc/71/17/91/522711791.db2.gz ZEYMFWJAMLZCQO-VXGBXAGGSA-N 1 1 351.476 1.759 50 0 FDAAMO CCc1noc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000091492957 522897412 /nfs/dbraw/zinc/89/74/12/522897412.db2.gz NGSGQUSYVNVOKU-IBGZPJMESA-N 1 1 361.490 1.541 50 0 FDAAMO CCOC(=O)c1cnc2ccccc2c1NC1CC[NH+](CC(N)=O)CC1 ZINC000050929191 522953026 /nfs/dbraw/zinc/95/30/26/522953026.db2.gz ONZGXZXPNOOGDQ-UHFFFAOYSA-N 1 1 356.426 1.773 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1C[C@H](CO)[C@H](CN3CCOCC3)C1)CCC2 ZINC000091288910 522997956 /nfs/dbraw/zinc/99/79/56/522997956.db2.gz MZAFYMQDAKFGAL-WOJBJXKFSA-N 1 1 360.498 1.556 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000252139984 523169477 /nfs/dbraw/zinc/16/94/77/523169477.db2.gz GNRAWKAFQIPKTA-JKSUJKDBSA-N 1 1 359.536 1.429 50 0 FDAAMO O[C@@H](C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1)c1cccc(F)c1 ZINC000052580015 523207902 /nfs/dbraw/zinc/20/79/02/523207902.db2.gz XZGRHWXDUQLQEY-SFHVURJKSA-N 1 1 368.416 1.657 50 0 FDAAMO COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C)CC2)cc1 ZINC000077387164 523317596 /nfs/dbraw/zinc/31/75/96/523317596.db2.gz RWQUSOJIEQWRBX-CQSZACIVSA-N 1 1 356.426 1.746 50 0 FDAAMO CCc1nn2c(nc(C[NH2+][C@@H]3CC(=O)N(c4ccccc4)C3)cc2=O)s1 ZINC000077408437 523330536 /nfs/dbraw/zinc/33/05/36/523330536.db2.gz FTQUFVXMTPXXSC-CYBMUJFWSA-N 1 1 369.450 1.609 50 0 FDAAMO CCc1nnc(SCC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)[nH]1 ZINC000055182892 523761615 /nfs/dbraw/zinc/76/16/15/523761615.db2.gz SSYYNSUGABSXAK-ZDUSSCGKSA-N 1 1 355.508 1.010 50 0 FDAAMO CCc1nc(SCC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)n[nH]1 ZINC000055182892 523761622 /nfs/dbraw/zinc/76/16/22/523761622.db2.gz SSYYNSUGABSXAK-ZDUSSCGKSA-N 1 1 355.508 1.010 50 0 FDAAMO CCc1nc(SCC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)n[nH]1 ZINC000055182892 523761629 /nfs/dbraw/zinc/76/16/29/523761629.db2.gz SSYYNSUGABSXAK-ZDUSSCGKSA-N 1 1 355.508 1.010 50 0 FDAAMO C[N@H+]1CCN(c2cc(Sc3cccs3)nc(N)n2)C[C@H]1CCO ZINC000106956410 523924691 /nfs/dbraw/zinc/92/46/91/523924691.db2.gz WKKHGKNTPAXTKH-LLVKDONJSA-N 1 1 351.501 1.774 50 0 FDAAMO O=C(CCc1cn2ccccc2n1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000082086675 524205619 /nfs/dbraw/zinc/20/56/19/524205619.db2.gz QXWVMYMMIQCOCK-GOSISDBHSA-N 1 1 356.470 1.980 50 0 FDAAMO COc1ccccc1-c1cnn2c1nc(C)cc2N1CC[NH+](CCO)CC1 ZINC000020567130 524274514 /nfs/dbraw/zinc/27/45/14/524274514.db2.gz IUUSLLLSHAKLDP-UHFFFAOYSA-N 1 1 367.453 1.828 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)N1CC[NH+](C)CC1 ZINC000084070247 524285322 /nfs/dbraw/zinc/28/53/22/524285322.db2.gz OUZAFCPRZLNYHG-CYBMUJFWSA-N 1 1 354.458 1.924 50 0 FDAAMO COc1ccccc1C(=O)N1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC000082091652 524343963 /nfs/dbraw/zinc/34/39/63/524343963.db2.gz LXHWTPQPEDIRTR-UHFFFAOYSA-N 1 1 370.453 1.965 50 0 FDAAMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccccc2O)CC1 ZINC000111867789 524366009 /nfs/dbraw/zinc/36/60/09/524366009.db2.gz IAIGTCJCOGMBMR-MRXNPFEDSA-N 1 1 362.474 1.335 50 0 FDAAMO Cn1ccc(NC(=O)CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)n1 ZINC000091350879 524694668 /nfs/dbraw/zinc/69/46/68/524694668.db2.gz HOUCZBZNVQBEMQ-DOTOQJQBSA-N 1 1 354.458 1.350 50 0 FDAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)cc(=O)c2c1 ZINC000091381294 524695839 /nfs/dbraw/zinc/69/58/39/524695839.db2.gz NJYQQVSZWCWRGF-ICSRJNTNSA-N 1 1 371.481 1.412 50 0 FDAAMO Cc1cc(C)c2[nH]c(CN3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)cc(=O)c2c1 ZINC000091381294 524695859 /nfs/dbraw/zinc/69/58/59/524695859.db2.gz NJYQQVSZWCWRGF-ICSRJNTNSA-N 1 1 371.481 1.412 50 0 FDAAMO Cc1cc(C)c2[nH]c(CN3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)cc(=O)c2c1 ZINC000091381294 524695867 /nfs/dbraw/zinc/69/58/67/524695867.db2.gz NJYQQVSZWCWRGF-ICSRJNTNSA-N 1 1 371.481 1.412 50 0 FDAAMO CC(C)c1nnc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)s1 ZINC000091426131 524702711 /nfs/dbraw/zinc/70/27/11/524702711.db2.gz UNMFXNPOLDLNSF-HUUCEWRRSA-N 1 1 353.536 1.344 50 0 FDAAMO CC(C)c1nnc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)s1 ZINC000091426131 524702719 /nfs/dbraw/zinc/70/27/19/524702719.db2.gz UNMFXNPOLDLNSF-HUUCEWRRSA-N 1 1 353.536 1.344 50 0 FDAAMO CC(C)c1nnc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)s1 ZINC000091426131 524702725 /nfs/dbraw/zinc/70/27/25/524702725.db2.gz UNMFXNPOLDLNSF-HUUCEWRRSA-N 1 1 353.536 1.344 50 0 FDAAMO CC1(C)Cc2cc(C[N@H+]3C[C@H](CO)[C@H](CN4CCOCC4)C3)ccc2O1 ZINC000091504180 524718173 /nfs/dbraw/zinc/71/81/73/524718173.db2.gz DBZUJMFBZYWSEZ-RTBURBONSA-N 1 1 360.498 1.773 50 0 FDAAMO CCC[N@H+]1CC[C@]2(O)CCN(C(=O)c3sc(OC)nc3C)C[C@@H]2C1 ZINC000091575142 524728045 /nfs/dbraw/zinc/72/80/45/524728045.db2.gz SHUIEZWYFJRAGZ-GUYCJALGSA-N 1 1 353.488 1.769 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1CO ZINC000091594102 524736518 /nfs/dbraw/zinc/73/65/18/524736518.db2.gz KUXVHLUVGTYNLH-IAGOWNOFSA-N 1 1 357.454 1.494 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1)N1CCOCC1 ZINC000091691603 524761517 /nfs/dbraw/zinc/76/15/17/524761517.db2.gz ZKNBPRQOUFGAFQ-CQSZACIVSA-N 1 1 373.428 1.738 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1C ZINC000091736385 524768468 /nfs/dbraw/zinc/76/84/68/524768468.db2.gz HUBCTUCXXLAFEV-UHFFFAOYSA-N 1 1 368.445 1.122 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCN(CCn3cncn3)CC2)[NH+](C)C)c1 ZINC000091849031 524800916 /nfs/dbraw/zinc/80/09/16/524800916.db2.gz FKIDUKRCBZXVNV-GOSISDBHSA-N 1 1 356.474 1.034 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(Cl)cc2)C1 ZINC000091914646 524812528 /nfs/dbraw/zinc/81/25/28/524812528.db2.gz YDUUFLQGULUCQF-CABCVRRESA-N 1 1 354.878 1.989 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)c(OC)c1C ZINC000091966022 524821479 /nfs/dbraw/zinc/82/14/79/524821479.db2.gz IQFRQLBNOLJUTK-QZTJIDSGSA-N 1 1 364.486 1.385 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000091988442 524825085 /nfs/dbraw/zinc/82/50/85/524825085.db2.gz XTXULPLWVGXCFB-CQSZACIVSA-N 1 1 359.401 1.899 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccc(F)cc3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091987753 524826436 /nfs/dbraw/zinc/82/64/36/524826436.db2.gz ITSCVRKSVVDHOM-LXTVHRRPSA-N 1 1 368.424 1.755 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000092037471 524834282 /nfs/dbraw/zinc/83/42/82/524834282.db2.gz GTORJOXLUBPDHC-LLVKDONJSA-N 1 1 361.339 1.658 50 0 FDAAMO CS[C@@H](C)CC[NH+]1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000092065223 524839531 /nfs/dbraw/zinc/83/95/31/524839531.db2.gz OGHBVPVRWNEXFH-ZDUSSCGKSA-N 1 1 372.560 1.660 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1CO ZINC000092081080 524847818 /nfs/dbraw/zinc/84/78/18/524847818.db2.gz GWDQPPFUDPYXEL-CHWSQXEVSA-N 1 1 358.841 1.474 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCCOCc1ccccc1)C2 ZINC000092107930 524849071 /nfs/dbraw/zinc/84/90/71/524849071.db2.gz OHFVQKXSOSHEGX-QZTJIDSGSA-N 1 1 352.500 1.949 50 0 FDAAMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000089905602 524958883 /nfs/dbraw/zinc/95/88/83/524958883.db2.gz DBHJOSDZLSXMLT-HKUYNNGSSA-N 1 1 361.486 1.287 50 0 FDAAMO C[C@H](NC(=O)C[N@H+]1CC[C@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000089905602 524958898 /nfs/dbraw/zinc/95/88/98/524958898.db2.gz DBHJOSDZLSXMLT-HKUYNNGSSA-N 1 1 361.486 1.287 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)CC2=O)cc1 ZINC000082115950 524959990 /nfs/dbraw/zinc/95/99/90/524959990.db2.gz VZYFGKNBCLLQSU-SFHVURJKSA-N 1 1 359.470 1.670 50 0 FDAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccnc1 ZINC000079492782 525029734 /nfs/dbraw/zinc/02/97/34/525029734.db2.gz PVHLOIIZTWYOGZ-INIZCTEOSA-N 1 1 367.453 1.936 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000095353645 525030276 /nfs/dbraw/zinc/03/02/76/525030276.db2.gz NSACHAQLOBFTOS-DOTOQJQBSA-N 1 1 353.426 1.350 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1C ZINC000095358398 525033390 /nfs/dbraw/zinc/03/33/90/525033390.db2.gz QDRCBQXSGGQABB-OAHLLOKOSA-N 1 1 357.462 1.764 50 0 FDAAMO CCNC(=O)N1CCC(NC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095361860 525037681 /nfs/dbraw/zinc/03/76/81/525037681.db2.gz XUAWOPWDVIWSIP-INIZCTEOSA-N 1 1 350.438 1.739 50 0 FDAAMO Cc1ncc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c(=O)[nH]1 ZINC000095370592 525045044 /nfs/dbraw/zinc/04/50/44/525045044.db2.gz TYOPNEWVWWNOAH-IAGOWNOFSA-N 1 1 352.438 1.815 50 0 FDAAMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000095457121 525071256 /nfs/dbraw/zinc/07/12/56/525071256.db2.gz WPWAVRMRLUWJGT-CABCVRRESA-N 1 1 363.424 1.726 50 0 FDAAMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000095457121 525071266 /nfs/dbraw/zinc/07/12/66/525071266.db2.gz WPWAVRMRLUWJGT-CABCVRRESA-N 1 1 363.424 1.726 50 0 FDAAMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000095457122 525072488 /nfs/dbraw/zinc/07/24/88/525072488.db2.gz WPWAVRMRLUWJGT-HUUCEWRRSA-N 1 1 363.424 1.726 50 0 FDAAMO O=C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000095457122 525072499 /nfs/dbraw/zinc/07/24/99/525072499.db2.gz WPWAVRMRLUWJGT-HUUCEWRRSA-N 1 1 363.424 1.726 50 0 FDAAMO COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000095501474 525086551 /nfs/dbraw/zinc/08/65/51/525086551.db2.gz CTHOXILROQYZCQ-CYBMUJFWSA-N 1 1 364.446 1.886 50 0 FDAAMO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)C(=O)c1cccn1C)CC2 ZINC000095504895 525087638 /nfs/dbraw/zinc/08/76/38/525087638.db2.gz UNYCAUUUAYIDAQ-UHFFFAOYSA-N 1 1 369.469 1.717 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)C(=O)c1cccn1C)CC2 ZINC000095504895 525087647 /nfs/dbraw/zinc/08/76/47/525087647.db2.gz UNYCAUUUAYIDAQ-UHFFFAOYSA-N 1 1 369.469 1.717 50 0 FDAAMO COc1cccc(C[N@@H+](C)CC2CC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000095504130 525087896 /nfs/dbraw/zinc/08/78/96/525087896.db2.gz UZZGRQHZLPQJFD-SFHVURJKSA-N 1 1 364.486 1.609 50 0 FDAAMO O=C(Cn1cc2ccccc2n1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095504664 525089325 /nfs/dbraw/zinc/08/93/25/525089325.db2.gz WBSQWOFBUWSNQX-IBGZPJMESA-N 1 1 364.449 1.742 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccnc3ccccc13)C2 ZINC000095519038 525097922 /nfs/dbraw/zinc/09/79/22/525097922.db2.gz LLLIKNXQKXBHBZ-DLBZAZTESA-N 1 1 366.465 1.746 50 0 FDAAMO OCCn1c2ccccc2nc1N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095521333 525099141 /nfs/dbraw/zinc/09/91/41/525099141.db2.gz BCBWHUFQQWXQHY-GOSISDBHSA-N 1 1 366.465 1.712 50 0 FDAAMO Cc1nn(C)c(C)c1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000096008250 525120505 /nfs/dbraw/zinc/12/05/05/525120505.db2.gz BTAJEMNOMFRLNQ-SFHVURJKSA-N 1 1 356.470 1.924 50 0 FDAAMO COCCNC(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097086807 525171674 /nfs/dbraw/zinc/17/16/74/525171674.db2.gz BDSSHPBQDUCQQV-SFHVURJKSA-N 1 1 374.485 1.151 50 0 FDAAMO COCCNC(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097086807 525171679 /nfs/dbraw/zinc/17/16/79/525171679.db2.gz BDSSHPBQDUCQQV-SFHVURJKSA-N 1 1 374.485 1.151 50 0 FDAAMO Cn1cc(-c2ncc(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)s2)cn1 ZINC000178105755 525385315 /nfs/dbraw/zinc/38/53/15/525385315.db2.gz YUYRBGFOBJEIGZ-ZDUSSCGKSA-N 1 1 361.471 1.338 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613356 525644385 /nfs/dbraw/zinc/64/43/85/525644385.db2.gz QSHDOFBECMHGOI-KSSFIOAISA-N 1 1 354.454 1.846 50 0 FDAAMO CN(Cc1ccc(-n2cccn2)cc1)c1nc(N(C)C[C@@H](O)CO)cc[nH+]1 ZINC000108199492 525939767 /nfs/dbraw/zinc/93/97/67/525939767.db2.gz AWSBOXMYDKHCRB-QGZVFWFLSA-N 1 1 368.441 1.088 50 0 FDAAMO OC[C@H]1CCCN1c1cc(N2CC[NH+](Cc3cccs3)CC2)ncn1 ZINC000110115252 526223475 /nfs/dbraw/zinc/22/34/75/526223475.db2.gz CGDVGCBOMZJGQW-OAHLLOKOSA-N 1 1 359.499 1.821 50 0 FDAAMO O[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020905646 526313634 /nfs/dbraw/zinc/31/36/34/526313634.db2.gz SUDCCVOWKWCBPH-SFTDATJTSA-N 1 1 366.509 1.882 50 0 FDAAMO O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@H]1CSC[NH2+]1 ZINC000155667381 526485468 /nfs/dbraw/zinc/48/54/68/526485468.db2.gz OYEQYTIEBRTSTD-PSASIEDQSA-N 1 1 351.255 1.512 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H](O)c2cccs2)CC1)NC1CCCCC1 ZINC000085436937 526772392 /nfs/dbraw/zinc/77/23/92/526772392.db2.gz JAXZNIXMUJVTFB-MRXNPFEDSA-N 1 1 351.516 1.848 50 0 FDAAMO [NH3+]CC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCc2cc(C3CC3)[nH]n2)s1 ZINC000020774183 527156987 /nfs/dbraw/zinc/15/69/87/527156987.db2.gz JXBYQRYCCJBSRX-CQSZACIVSA-N 1 1 373.482 1.901 50 0 FDAAMO O=C(Cc1ccc(F)c(F)c1F)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091644375 527228582 /nfs/dbraw/zinc/22/85/82/527228582.db2.gz RMZBTLUSNZFYRD-ZIAGYGMSSA-N 1 1 372.387 1.046 50 0 FDAAMO O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020489564 527351122 /nfs/dbraw/zinc/35/11/22/527351122.db2.gz OIMKQDPNNLVZKX-UHFFFAOYSA-N 1 1 368.437 1.093 50 0 FDAAMO CCn1c(CN2CCCC2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000082137064 535980970 /nfs/dbraw/zinc/98/09/70/535980970.db2.gz SYLDKDXXNKTTBN-UHFFFAOYSA-N 1 1 356.478 1.650 50 0 FDAAMO c1c[nH]c([C@@H]([NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccncc2)n1 ZINC000252584741 537250795 /nfs/dbraw/zinc/25/07/95/537250795.db2.gz CNMWHPMCXGOJRR-KSZLIROESA-N 1 1 357.458 1.221 50 0 FDAAMO CC(C)N1C(=O)C2(CCCCC2)[C@@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000257190891 537252779 /nfs/dbraw/zinc/25/27/79/537252779.db2.gz OCRNVXPXGKRFQD-KRWDZBQOSA-N 1 1 364.534 1.310 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[NH+]2CCN(Cc3nccn3C)CC2)c1 ZINC000215479239 537437277 /nfs/dbraw/zinc/43/72/77/537437277.db2.gz ULMSPEAQHUNYIH-UHFFFAOYSA-N 1 1 366.469 1.932 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(C(=O)COC)CC1 ZINC000219649718 537478837 /nfs/dbraw/zinc/47/88/37/537478837.db2.gz ZXBYLPGPXZHTTI-GOSISDBHSA-N 1 1 359.470 1.141 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(C(=O)COC)CC1 ZINC000219649718 537478842 /nfs/dbraw/zinc/47/88/42/537478842.db2.gz ZXBYLPGPXZHTTI-GOSISDBHSA-N 1 1 359.470 1.141 50 0 FDAAMO C[C@@H](CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N1CCOCC1 ZINC000219949403 537482788 /nfs/dbraw/zinc/48/27/88/537482788.db2.gz QQMLVQZVVRBNOK-SFHVURJKSA-N 1 1 359.514 1.877 50 0 FDAAMO Cn1nnnc1SCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000220525506 537490217 /nfs/dbraw/zinc/49/02/17/537490217.db2.gz CEVKGOBUWLOVPO-OAHLLOKOSA-N 1 1 360.487 1.473 50 0 FDAAMO Cn1nnnc1SCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000220525506 537490231 /nfs/dbraw/zinc/49/02/31/537490231.db2.gz CEVKGOBUWLOVPO-OAHLLOKOSA-N 1 1 360.487 1.473 50 0 FDAAMO O=C(CCC[NH+]1CCOCC1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000220555586 537491674 /nfs/dbraw/zinc/49/16/74/537491674.db2.gz ONITXSXAGZGKQK-MSOLQXFVSA-N 1 1 366.433 1.591 50 0 FDAAMO CS(=O)(=O)c1ccc(C2(C(=O)N3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000221156070 537496554 /nfs/dbraw/zinc/49/65/54/537496554.db2.gz KUIMKGIEJMAYGT-INIZCTEOSA-N 1 1 362.495 1.818 50 0 FDAAMO CCCN1C(=O)N[C@H](CC(=O)NCc2ccccc2-n2cc[nH+]c2C)C1=O ZINC000221214876 537496951 /nfs/dbraw/zinc/49/69/51/537496951.db2.gz GHVZLZMKWFLQQS-OAHLLOKOSA-N 1 1 369.425 1.517 50 0 FDAAMO Cc1cccc2oc(CNC(=O)CC[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)nc21 ZINC000223661237 537531713 /nfs/dbraw/zinc/53/17/13/537531713.db2.gz NIXVERJFGSDZRA-CYBMUJFWSA-N 1 1 365.455 1.261 50 0 FDAAMO Cc1cccc2oc(CNC(=O)CC[N@H+](C)[C@@H]3CCS(=O)(=O)C3)nc21 ZINC000223661237 537531729 /nfs/dbraw/zinc/53/17/29/537531729.db2.gz NIXVERJFGSDZRA-CYBMUJFWSA-N 1 1 365.455 1.261 50 0 FDAAMO O=C(Cc1ccccc1F)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000223908291 537535772 /nfs/dbraw/zinc/53/57/72/537535772.db2.gz RWNNRWVEPUDXLA-UHFFFAOYSA-N 1 1 368.474 1.526 50 0 FDAAMO O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000241965743 537647126 /nfs/dbraw/zinc/64/71/26/537647126.db2.gz UVGYGXNBLDJCBR-MOPGFXCFSA-N 1 1 357.498 1.803 50 0 FDAAMO Cc1nonc1N1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000244873090 537654547 /nfs/dbraw/zinc/65/45/47/537654547.db2.gz WJXZOUIJSVEFQA-KRWDZBQOSA-N 1 1 355.442 1.516 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)N(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000426667498 538119977 /nfs/dbraw/zinc/11/99/77/538119977.db2.gz OMCQDTRNLCIGBD-OAHLLOKOSA-N 1 1 373.457 1.846 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(-c3ccccc3O)cc2)C1 ZINC000426727308 538125679 /nfs/dbraw/zinc/12/56/79/538125679.db2.gz BSFHJNKKDKSTOM-KRWDZBQOSA-N 1 1 367.449 1.986 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000426615157 538425298 /nfs/dbraw/zinc/42/52/98/538425298.db2.gz NCKPKSBIVXRUOA-UHFFFAOYSA-N 1 1 372.425 1.315 50 0 FDAAMO Cc1cc(-c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)c(=O)[nH]n1 ZINC000584887317 551564978 /nfs/dbraw/zinc/56/49/78/551564978.db2.gz UUKWPUWBHBGSAD-UHFFFAOYSA-N 1 1 356.426 1.610 50 0 FDAAMO Cc1noc([C@@H](C)NC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)n1 ZINC000584887529 551565004 /nfs/dbraw/zinc/56/50/04/551565004.db2.gz UPEKWIWYLUHAFB-CYBMUJFWSA-N 1 1 350.467 1.251 50 0 FDAAMO Cc1noc([C@@H](C)NC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000584887529 551565005 /nfs/dbraw/zinc/56/50/05/551565005.db2.gz UPEKWIWYLUHAFB-CYBMUJFWSA-N 1 1 350.467 1.251 50 0 FDAAMO O=C(c1cc[nH]n1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000584901491 551567454 /nfs/dbraw/zinc/56/74/54/551567454.db2.gz ANWHNZIDRJXVAW-UHFFFAOYSA-N 1 1 353.470 1.832 50 0 FDAAMO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000624137431 556543031 /nfs/dbraw/zinc/54/30/31/556543031.db2.gz LGRUJXRCPMIXLR-LSDHHAIUSA-N 1 1 365.499 1.589 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cn2cccn2)cc1)N1CCOCC1 ZINC000215076641 568049161 /nfs/dbraw/zinc/04/91/61/568049161.db2.gz XQRXKYCOMUTOHI-IBGZPJMESA-N 1 1 354.454 1.755 50 0 FDAAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000252550553 570623700 /nfs/dbraw/zinc/62/37/00/570623700.db2.gz SSGIZHCAWRXNRO-CYBMUJFWSA-N 1 1 361.412 1.449 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000105038481 570866988 /nfs/dbraw/zinc/86/69/88/570866988.db2.gz XUYWSWSXFJFRIC-RTBURBONSA-N 1 1 364.486 1.555 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000105038481 570866991 /nfs/dbraw/zinc/86/69/91/570866991.db2.gz XUYWSWSXFJFRIC-RTBURBONSA-N 1 1 364.486 1.555 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000108147895 570903514 /nfs/dbraw/zinc/90/35/14/570903514.db2.gz JBAAVTAVWKTNMZ-IEBWSBKVSA-N 1 1 374.529 1.982 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000108147895 570903519 /nfs/dbraw/zinc/90/35/19/570903519.db2.gz JBAAVTAVWKTNMZ-IEBWSBKVSA-N 1 1 374.529 1.982 50 0 FDAAMO CCCNC(=O)C[NH+]1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 ZINC000048303864 570943171 /nfs/dbraw/zinc/94/31/71/570943171.db2.gz AMDFGLCBCZSIKN-UHFFFAOYSA-N 1 1 353.854 1.236 50 0 FDAAMO C[NH+](C)C1(CNC(=O)COCc2nc3ccc(F)cc3[nH]2)CCOCC1 ZINC000244716012 571114950 /nfs/dbraw/zinc/11/49/50/571114950.db2.gz LGUJIQLJJWKSRW-UHFFFAOYSA-N 1 1 364.421 1.446 50 0 FDAAMO O=C(CC[N@@H+]1CC[C@@](O)(c2ccccc2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244883979 571118975 /nfs/dbraw/zinc/11/89/75/571118975.db2.gz YDBSAQFVCNZLSZ-FQEVSTJZSA-N 1 1 366.421 1.778 50 0 FDAAMO OC1CN(c2nc(NCc3cc4ccccc4[nH]3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426584041 571132777 /nfs/dbraw/zinc/13/27/77/571132777.db2.gz PRDPOYAKGBLFFW-CQSZACIVSA-N 1 1 365.437 2.255 50 0 FDAAMO COc1ccc2c(c1)CCN(c1cc([C@@H]3CCOC3)[nH+]c(NCCO)n1)C2 ZINC000426387253 571133912 /nfs/dbraw/zinc/13/39/12/571133912.db2.gz JOIXDYZGBHVHED-MRXNPFEDSA-N 1 1 370.453 1.956 50 0 FDAAMO Cc1nnc(C2CCN(C(=O)NCCC[N@H+]3CCC[C@H](CO)C3)CC2)[nH]1 ZINC000426575074 571232064 /nfs/dbraw/zinc/23/20/64/571232064.db2.gz UXUZDWMIWDBWLA-HNNXBMFYSA-N 1 1 364.494 1.097 50 0 FDAAMO CNC(=O)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426689809 571235218 /nfs/dbraw/zinc/23/52/18/571235218.db2.gz DENPKZGPLPFAIS-GOSISDBHSA-N 1 1 351.397 1.525 50 0 FDAAMO CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)c(C)n1 ZINC000426693655 571235489 /nfs/dbraw/zinc/23/54/89/571235489.db2.gz FALSPFNCUZFZTB-QZTJIDSGSA-N 1 1 357.458 1.362 50 0 FDAAMO CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)c(C)n1 ZINC000426693655 571235491 /nfs/dbraw/zinc/23/54/91/571235491.db2.gz FALSPFNCUZFZTB-QZTJIDSGSA-N 1 1 357.458 1.362 50 0 FDAAMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)CCC ZINC000253417588 571312775 /nfs/dbraw/zinc/31/27/75/571312775.db2.gz BHKHSGREXIAYIP-HOTGVXAUSA-N 1 1 359.536 1.571 50 0 FDAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000670446551 571350788 /nfs/dbraw/zinc/35/07/88/571350788.db2.gz NTOCWQQYMJPODK-UHFFFAOYSA-N 1 1 362.455 1.699 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCc2nc(Cc3ccccc3)no2)C1 ZINC000670451848 571352585 /nfs/dbraw/zinc/35/25/85/571352585.db2.gz KUIRMDBOLCEGDW-MRXNPFEDSA-N 1 1 358.442 1.776 50 0 FDAAMO CC(C)/C=C/C[N@@H+]1CCc2nnc([C@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012328543 670612281 /nfs/dbraw/zinc/61/22/81/670612281.db2.gz YHLHALKOMOHLIU-FYCOFBDGSA-N 1 1 369.535 1.595 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)N1CC([N@H+](CC(C)C)C2CCOCC2)C1 ZINC000169791770 672042604 /nfs/dbraw/zinc/04/26/04/672042604.db2.gz OXSNZXLZVLZWBF-UHFFFAOYSA-N 1 1 371.503 1.801 50 0 FDAAMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3nc4c(s3)COCC4)CC2)CCO1 ZINC000172258932 672065618 /nfs/dbraw/zinc/06/56/18/672065618.db2.gz DWQSDSHTGPUDLK-LBPRGKRZSA-N 1 1 366.487 1.933 50 0 FDAAMO Cc1cc2c(cn1)CN(C(=O)C1CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC1)C2 ZINC000299758939 676539229 /nfs/dbraw/zinc/53/92/29/676539229.db2.gz FSOGJXOMPZGKKJ-QGZVFWFLSA-N 1 1 363.483 1.131 50 0 FDAAMO Cc1cc(C[N@H+]2CCC[C@@H](Cn3cc(C4(O)CCCC4)nn3)C2)n(C)n1 ZINC000020538319 792500256 /nfs/dbraw/zinc/50/02/56/792500256.db2.gz JDJAQAQBEDURRJ-MRXNPFEDSA-N 1 1 358.490 1.994 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1c(C)noc1C)CC2 ZINC000675020571 795239097 /nfs/dbraw/zinc/23/90/97/795239097.db2.gz DFKTWJQXUYOYDO-ZBFHGGJFSA-N 1 1 357.476 1.021 50 0 FDAAMO CC[NH+]1CCN(C(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)CC1 ZINC000888104552 808516066 /nfs/dbraw/zinc/51/60/66/808516066.db2.gz BWDMYKSTBHALJN-UHFFFAOYSA-N 1 1 371.481 1.746 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000119550377 808989499 /nfs/dbraw/zinc/98/94/99/808989499.db2.gz BHRWNGKFXDWWJK-KRWDZBQOSA-N 1 1 355.486 1.734 50 0 FDAAMO CN1c2ccccc2C2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1=O ZINC000169761074 864490478 /nfs/dbraw/zinc/49/04/78/864490478.db2.gz KJDGOHURADLHMC-UHFFFAOYSA-N 1 1 357.454 1.246 50 0 FDAAMO NC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012467610 882351322 /nfs/dbraw/zinc/35/13/22/882351322.db2.gz HOQOOVKPLLPYPL-SFHVURJKSA-N 1 1 366.412 1.448 50 0 FDAAMO NC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012467610 882351347 /nfs/dbraw/zinc/35/13/47/882351347.db2.gz HOQOOVKPLLPYPL-SFHVURJKSA-N 1 1 366.412 1.448 50 0 FDAAMO COc1cccc2c1OCC(C[N@H+]1CC[C@@H](N3CCOCC3)[C@H](O)C1)=C2 ZINC000011878316 872089474 /nfs/dbraw/zinc/08/94/74/872089474.db2.gz PZETXPAUILCMCY-QZTJIDSGSA-N 1 1 360.454 1.238 50 0 FDAAMO COc1cccc2c1OCC(CN1CC[C@@H]([NH+]3CCOCC3)[C@H](O)C1)=C2 ZINC000011878316 872089511 /nfs/dbraw/zinc/08/95/11/872089511.db2.gz PZETXPAUILCMCY-QZTJIDSGSA-N 1 1 360.454 1.238 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000011934913 872636204 /nfs/dbraw/zinc/63/62/04/872636204.db2.gz TYEUYOXSMVCSQO-AWEZNQCLSA-N 1 1 361.442 1.268 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000011934913 872636210 /nfs/dbraw/zinc/63/62/10/872636210.db2.gz TYEUYOXSMVCSQO-AWEZNQCLSA-N 1 1 361.442 1.268 50 0 FDAAMO COc1ccccc1C(=O)NCc1nnc2n1CC[N@H+](CC(C)C)CC2 ZINC000011995268 873073978 /nfs/dbraw/zinc/07/39/78/873073978.db2.gz PYJOVVZXBYABTM-UHFFFAOYSA-N 1 1 357.458 1.731 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000063857034 901697457 /nfs/dbraw/zinc/69/74/57/901697457.db2.gz BAJVBZWNUQWJEG-MRXNPFEDSA-N 1 1 358.442 1.972 50 0 FDAAMO CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)C1 ZINC000822921619 921032369 /nfs/dbraw/zinc/03/23/69/921032369.db2.gz GPJDGNDUGAQWLG-UHFFFAOYSA-N 1 1 370.457 1.379 50 0 FDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC[N@H+](C3CCC3)CC2)c1 ZINC000824633697 923127934 /nfs/dbraw/zinc/12/79/34/923127934.db2.gz JXMOZHADJHPLRY-UHFFFAOYSA-N 1 1 354.472 1.953 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCC2CCN(Cc3ncc[nH]3)CC2)C1 ZINC000827812457 924751857 /nfs/dbraw/zinc/75/18/57/924751857.db2.gz MJENHNXIEDFEQL-QGZVFWFLSA-N 1 1 363.506 1.237 50 0 FDAAMO CC[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@H](C)C1 ZINC000585082384 943814675 /nfs/dbraw/zinc/81/46/75/943814675.db2.gz LIELPMKZAHPVTB-CQSZACIVSA-N 1 1 365.499 1.541 50 0 FDAAMO CC[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@H](C)C1 ZINC000585082384 943814677 /nfs/dbraw/zinc/81/46/77/943814677.db2.gz LIELPMKZAHPVTB-CQSZACIVSA-N 1 1 365.499 1.541 50 0 FDAAMO Cn1nc(C(C)(C)C)c2cc(C(=O)N3CC[NH2+]C[C@@H]3C(F)F)cnc21 ZINC000585089996 944051208 /nfs/dbraw/zinc/05/12/08/944051208.db2.gz UCKQJCBSBDWHCJ-GFCCVEGCSA-N 1 1 351.401 1.945 50 0 FDAAMO Cc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC000952868103 960205117 /nfs/dbraw/zinc/20/51/17/960205117.db2.gz BLMJATMZDKZUAE-IAGOWNOFSA-N 1 1 358.486 1.135 50 0 FDAAMO Cc1ccc(N2CC[C@@H](CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C2)cc1 ZINC000952868104 960205149 /nfs/dbraw/zinc/20/51/49/960205149.db2.gz BLMJATMZDKZUAE-IRXDYDNUSA-N 1 1 358.486 1.135 50 0 FDAAMO CC1CCN(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)CC1 ZINC000952866940 960237106 /nfs/dbraw/zinc/23/71/06/960237106.db2.gz HBUCYIPINYHVOU-SFHVURJKSA-N 1 1 351.516 1.952 50 0 FDAAMO CC1CCN(S(=O)(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000952866940 960237107 /nfs/dbraw/zinc/23/71/07/960237107.db2.gz HBUCYIPINYHVOU-SFHVURJKSA-N 1 1 351.516 1.952 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000952964985 960249194 /nfs/dbraw/zinc/24/91/94/960249194.db2.gz BAVQHOOHSKJFQW-MOPGFXCFSA-N 1 1 372.513 1.212 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000952964985 960249204 /nfs/dbraw/zinc/24/92/04/960249204.db2.gz BAVQHOOHSKJFQW-MOPGFXCFSA-N 1 1 372.513 1.212 50 0 FDAAMO Cn1nc(CNC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c2c1cccc2Cl ZINC000952973964 960268242 /nfs/dbraw/zinc/26/82/42/960268242.db2.gz NALKASPLRWQTGF-LLVKDONJSA-N 1 1 363.849 1.040 50 0 FDAAMO C[C@@H]1C[N@@H+](CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C[C@H]1CO ZINC000190846595 1008744904 /nfs/dbraw/zinc/74/49/04/1008744904.db2.gz DEHUUGRBPKDGGT-CVEARBPZSA-N 1 1 374.481 1.904 50 0 FDAAMO CCCCN1CCn2nc(CNC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2C1 ZINC000534640793 540393521 /nfs/dbraw/zinc/39/35/21/540393521.db2.gz ICQQNRVJHOHTRW-ZWKOTPCHSA-N 1 1 374.533 1.877 50 0 FDAAMO CCCCN1CCn2nc(CNC(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)cc2C1 ZINC000534640793 540393522 /nfs/dbraw/zinc/39/35/22/540393522.db2.gz ICQQNRVJHOHTRW-ZWKOTPCHSA-N 1 1 374.533 1.877 50 0 FDAAMO CNC(=O)Cn1cc(-c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2)cn1 ZINC000534661103 540396651 /nfs/dbraw/zinc/39/66/51/540396651.db2.gz HXLDJIFUIRPIAB-UHFFFAOYSA-N 1 1 369.469 1.462 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000299778018 223092225 /nfs/dbraw/zinc/09/22/25/223092225.db2.gz LPDUFEHKJNBMCV-MRXNPFEDSA-N 1 1 371.481 1.858 50 0 FDAAMO Cn1ccnc1CN(CCO)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299779413 223093810 /nfs/dbraw/zinc/09/38/10/223093810.db2.gz UEQCDTRZFMIPKM-OTWHNJEPSA-N 1 1 368.481 1.967 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCc1cccs1 ZINC000012713990 220021166 /nfs/dbraw/zinc/02/11/66/220021166.db2.gz DQMJMHDXGNWNHQ-GOSISDBHSA-N 1 1 371.506 1.840 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCc1cccs1 ZINC000012713990 220021171 /nfs/dbraw/zinc/02/11/71/220021171.db2.gz DQMJMHDXGNWNHQ-GOSISDBHSA-N 1 1 371.506 1.840 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCN3CCCC3=O)C2)c1 ZINC000012702451 220017863 /nfs/dbraw/zinc/01/78/63/220017863.db2.gz BWXSLJPQSZYZMS-KRWDZBQOSA-N 1 1 359.470 1.788 50 0 FDAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000012768557 220026847 /nfs/dbraw/zinc/02/68/47/220026847.db2.gz LIHALFBCBZQJFK-UHFFFAOYSA-N 1 1 367.449 1.962 50 0 FDAAMO COc1ccc(N(CCC(N)=O)C(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000012768557 220026850 /nfs/dbraw/zinc/02/68/50/220026850.db2.gz LIHALFBCBZQJFK-UHFFFAOYSA-N 1 1 367.449 1.962 50 0 FDAAMO Cc1ccc(N(CCCC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1C ZINC000013678091 220084300 /nfs/dbraw/zinc/08/43/00/220084300.db2.gz UXXLALYFSMGKTO-UHFFFAOYSA-N 1 1 367.515 1.624 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000014114202 220107760 /nfs/dbraw/zinc/10/77/60/220107760.db2.gz CNSRIKUCUCHBFU-UHFFFAOYSA-N 1 1 371.462 1.987 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccco1 ZINC000014182627 220113644 /nfs/dbraw/zinc/11/36/44/220113644.db2.gz SUDPGEQRTQVOHP-ZNMIVQPWSA-N 1 1 359.426 1.340 50 0 FDAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000014186022 220114844 /nfs/dbraw/zinc/11/48/44/220114844.db2.gz JJJAKROKZMUKDK-UHFFFAOYSA-N 1 1 367.515 1.346 50 0 FDAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000014186022 220114846 /nfs/dbraw/zinc/11/48/46/220114846.db2.gz JJJAKROKZMUKDK-UHFFFAOYSA-N 1 1 367.515 1.346 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014199263 220115553 /nfs/dbraw/zinc/11/55/53/220115553.db2.gz FBUXQLOECCHKRZ-INIZCTEOSA-N 1 1 362.433 1.856 50 0 FDAAMO C[NH+]1CCN(C(=O)C[C@@H]2Cn3ncc(-c4ccccc4)c3NC2=O)CC1 ZINC000016626182 220189065 /nfs/dbraw/zinc/18/90/65/220189065.db2.gz QYMKQWFNRVHQAC-OAHLLOKOSA-N 1 1 353.426 1.283 50 0 FDAAMO CC[N@@H+](C)[C@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC000287113009 183215778 /nfs/dbraw/zinc/21/57/78/183215778.db2.gz VZKGNIWOYJRHBF-KRWDZBQOSA-N 1 1 367.515 1.467 50 0 FDAAMO COC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020051458 220310854 /nfs/dbraw/zinc/31/08/54/220310854.db2.gz VCRMVQDTPGLOTR-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000021058682 220350667 /nfs/dbraw/zinc/35/06/67/220350667.db2.gz JVPFZDZYPCOWJS-GJZGRUSLSA-N 1 1 357.458 1.885 50 0 FDAAMO C[N@H+](Cc1ccco1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000022240945 220379860 /nfs/dbraw/zinc/37/98/60/220379860.db2.gz JNJWLZYAOHKXKV-UHFFFAOYSA-N 1 1 350.440 1.933 50 0 FDAAMO C[N@@H+](Cc1ccco1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000022240945 220379862 /nfs/dbraw/zinc/37/98/62/220379862.db2.gz JNJWLZYAOHKXKV-UHFFFAOYSA-N 1 1 350.440 1.933 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000022611735 220390628 /nfs/dbraw/zinc/39/06/28/220390628.db2.gz PHEBFIQEBQTODG-AWEZNQCLSA-N 1 1 358.442 1.400 50 0 FDAAMO COc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)c2)nn1 ZINC000299780131 533183244 /nfs/dbraw/zinc/18/32/44/533183244.db2.gz PERRXICBDKZYNA-QGZVFWFLSA-N 1 1 370.453 1.729 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000048325278 221007796 /nfs/dbraw/zinc/00/77/96/221007796.db2.gz JGLYDRZXIKLHIX-LJQANCHMSA-N 1 1 367.449 1.697 50 0 FDAAMO C[N@H+]1CCN(C(=O)CNC(=O)COc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000048325278 221007797 /nfs/dbraw/zinc/00/77/97/221007797.db2.gz JGLYDRZXIKLHIX-LJQANCHMSA-N 1 1 367.449 1.697 50 0 FDAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)C1=O ZINC000052835457 221040212 /nfs/dbraw/zinc/04/02/12/221040212.db2.gz SVDFUZPSVOVSRC-HNNXBMFYSA-N 1 1 358.442 1.270 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)CC34CC5CC(CC(C5)C3)C4)C[C@@H]2O)CC1 ZINC000055270068 221064713 /nfs/dbraw/zinc/06/47/13/221064713.db2.gz KAQSPDAPLRDFPJ-VQIYKNCMSA-N 1 1 361.530 1.412 50 0 FDAAMO CCc1[nH+]ccn1CC1(CNC(=O)CSc2nnc(N)s2)CC1 ZINC000055283536 221066033 /nfs/dbraw/zinc/06/60/33/221066033.db2.gz PXDRQOQZGRHQES-UHFFFAOYSA-N 1 1 352.489 1.568 50 0 FDAAMO Nc1c(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 ZINC000053779966 221048090 /nfs/dbraw/zinc/04/80/90/221048090.db2.gz ZVJKJKHTCFIQMU-LLVKDONJSA-N 1 1 360.439 1.535 50 0 FDAAMO Nc1c(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 ZINC000053779966 221048091 /nfs/dbraw/zinc/04/80/91/221048091.db2.gz ZVJKJKHTCFIQMU-LLVKDONJSA-N 1 1 360.439 1.535 50 0 FDAAMO C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000058185386 221104514 /nfs/dbraw/zinc/10/45/14/221104514.db2.gz AONBUQJSBSLUFW-JXFKEZNVSA-N 1 1 369.421 1.466 50 0 FDAAMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccco1 ZINC000058202811 221106579 /nfs/dbraw/zinc/10/65/79/221106579.db2.gz VCGYUDBQNUNQQQ-OAHLLOKOSA-N 1 1 365.455 1.740 50 0 FDAAMO CC[N@H+](Cc1ccc(Br)s1)Cc1cc(=O)n(C)c(=O)n1C ZINC000057403158 221087977 /nfs/dbraw/zinc/08/79/77/221087977.db2.gz ALGLNOONPSHALJ-UHFFFAOYSA-N 1 1 372.288 1.930 50 0 FDAAMO CC[N@@H+](Cc1ccc(Br)s1)Cc1cc(=O)n(C)c(=O)n1C ZINC000057403158 221087978 /nfs/dbraw/zinc/08/79/78/221087978.db2.gz ALGLNOONPSHALJ-UHFFFAOYSA-N 1 1 372.288 1.930 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057554886 221092409 /nfs/dbraw/zinc/09/24/09/221092409.db2.gz JWZMOZHGCVDTJX-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057554886 221092410 /nfs/dbraw/zinc/09/24/10/221092410.db2.gz JWZMOZHGCVDTJX-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO O=C(CCN1C(=O)CCC1=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058251120 221111480 /nfs/dbraw/zinc/11/14/80/221111480.db2.gz JTZITYLEWFZBBR-KRWDZBQOSA-N 1 1 357.454 1.696 50 0 FDAAMO O=C(CCN1C(=O)CCC1=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058304708 221113776 /nfs/dbraw/zinc/11/37/76/221113776.db2.gz CQQFDYXCQCRPMJ-UHFFFAOYSA-N 1 1 361.417 1.399 50 0 FDAAMO O=C(CCN1C(=O)CCC1=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058304708 221113779 /nfs/dbraw/zinc/11/37/79/221113779.db2.gz CQQFDYXCQCRPMJ-UHFFFAOYSA-N 1 1 361.417 1.399 50 0 FDAAMO CCC[C@@H]1CC[N@@H+](Cc2cn(C3CCN(S(=O)(=O)CC)CC3)nn2)C1 ZINC000063832687 221144162 /nfs/dbraw/zinc/14/41/62/221144162.db2.gz JYTPJUAOXIUIMJ-OAHLLOKOSA-N 1 1 369.535 1.887 50 0 FDAAMO CCNc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)[nH+]c(C)n1 ZINC000065363498 221201861 /nfs/dbraw/zinc/20/18/61/221201861.db2.gz LLCPZCGTBSZKJK-UHFFFAOYSA-N 1 1 367.500 1.789 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CC[N@@H+](Cc1ccccc1Cn1cccn1)CC2 ZINC000065382664 221207324 /nfs/dbraw/zinc/20/73/24/221207324.db2.gz ZEAICALEVLXBET-UHFFFAOYSA-N 1 1 363.465 1.934 50 0 FDAAMO Cc1cc(C)n(-c2cccc(C(=O)N3CCN4CC[N@H+](C)C[C@@H]4C3)c2)n1 ZINC000065433927 221218872 /nfs/dbraw/zinc/21/88/72/221218872.db2.gz PSXQREGCXLPCEW-LJQANCHMSA-N 1 1 353.470 1.561 50 0 FDAAMO Cc1nn(CCN2CCN(C)CC2)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000065461772 221222075 /nfs/dbraw/zinc/22/20/75/221222075.db2.gz ITKNCXICTDZQBH-UHFFFAOYSA-N 1 1 374.577 1.499 50 0 FDAAMO O=C1NCCN2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000065493388 221225065 /nfs/dbraw/zinc/22/50/65/221225065.db2.gz SVVAFJQXHZLNAC-IBGZPJMESA-N 1 1 352.438 1.277 50 0 FDAAMO O=C1NCCN2CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000065493388 221225068 /nfs/dbraw/zinc/22/50/68/221225068.db2.gz SVVAFJQXHZLNAC-IBGZPJMESA-N 1 1 352.438 1.277 50 0 FDAAMO COc1ccccc1OC1CN(c2nc(N3CCC[C@H](O)C3)cc[nH+]2)C1 ZINC000065497026 221227554 /nfs/dbraw/zinc/22/75/54/221227554.db2.gz LXZNIRINOOHEAS-AWEZNQCLSA-N 1 1 356.426 1.714 50 0 FDAAMO C[C@@]1(O)CCN(C(=O)CCC[NH+]2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000067490004 221256907 /nfs/dbraw/zinc/25/69/07/221256907.db2.gz GKCYLLJZXDDEEE-PZJWPPBQSA-N 1 1 360.498 1.941 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000067629838 221263555 /nfs/dbraw/zinc/26/35/55/221263555.db2.gz QRVOJXGEAFUCPS-HNNXBMFYSA-N 1 1 371.478 1.534 50 0 FDAAMO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](CC(N)=O)CC1)c1ccccc1 ZINC000067723781 221275896 /nfs/dbraw/zinc/27/58/96/221275896.db2.gz OTGAXALIZHPTBO-SFHVURJKSA-N 1 1 371.441 1.332 50 0 FDAAMO CN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCCC4)n1)CC[NH2+]C2 ZINC000067714623 221276397 /nfs/dbraw/zinc/27/63/97/221276397.db2.gz XNKIFNOIJCBSHK-UHFFFAOYSA-N 1 1 355.490 1.817 50 0 FDAAMO Cc1nnc(CNC(=O)c2cc(C[N@@H+](C)CCc3ccccc3)on2)[nH]1 ZINC000067676434 221269303 /nfs/dbraw/zinc/26/93/03/221269303.db2.gz PNNBIEXZJSUIOK-UHFFFAOYSA-N 1 1 354.414 1.706 50 0 FDAAMO OCC1(CO)CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067817096 221288688 /nfs/dbraw/zinc/28/86/88/221288688.db2.gz PEFGLAFHNVLYEQ-UHFFFAOYSA-N 1 1 352.438 1.963 50 0 FDAAMO OCC1(CO)CCC[N@@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067817096 221288691 /nfs/dbraw/zinc/28/86/91/221288691.db2.gz PEFGLAFHNVLYEQ-UHFFFAOYSA-N 1 1 352.438 1.963 50 0 FDAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+]3CCNC(=O)CC3)C2=O)cc1 ZINC000067818135 221289676 /nfs/dbraw/zinc/28/96/76/221289676.db2.gz YGRXURJAXZMKBB-NRFANRHFSA-N 1 1 373.497 1.485 50 0 FDAAMO Cn1cc(C[N@@H+](C)C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)cn1 ZINC000067770186 221283548 /nfs/dbraw/zinc/28/35/48/221283548.db2.gz CDPITQGDMNZUPD-OAQYLSRUSA-N 1 1 370.497 1.838 50 0 FDAAMO CCn1cc(NC(=O)c2cccc(C[N@H+]3CC[C@@H](N(C)C(C)=O)C3)c2)nn1 ZINC000067787394 221285725 /nfs/dbraw/zinc/28/57/25/221285725.db2.gz OUEZXSRTFMKPPB-QGZVFWFLSA-N 1 1 370.457 1.603 50 0 FDAAMO O=C(NCc1n[nH]c2c1CCCCC2)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067850990 221295247 /nfs/dbraw/zinc/29/52/47/221295247.db2.gz ZZDKJNRIOUQMGQ-ZDUSSCGKSA-N 1 1 357.462 1.200 50 0 FDAAMO CN1CCN([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2O)CC1 ZINC000067871469 221298988 /nfs/dbraw/zinc/29/89/88/221298988.db2.gz HDJQSJKJESNGTM-ROUUACIJSA-N 1 1 359.449 1.008 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2cccc3cccnc32)C1=O ZINC000067935181 221306421 /nfs/dbraw/zinc/30/64/21/221306421.db2.gz LKZRBAMBTCWMCX-HXUWFJFHSA-N 1 1 357.454 1.667 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067948138 221308000 /nfs/dbraw/zinc/30/80/00/221308000.db2.gz RRNNHEFVOZIDOR-OAHLLOKOSA-N 1 1 359.474 1.215 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 ZINC000067948138 221308003 /nfs/dbraw/zinc/30/80/03/221308003.db2.gz RRNNHEFVOZIDOR-OAHLLOKOSA-N 1 1 359.474 1.215 50 0 FDAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071404071 221344496 /nfs/dbraw/zinc/34/44/96/221344496.db2.gz RYYVFIDOKAFHMC-MRXNPFEDSA-N 1 1 374.485 1.712 50 0 FDAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422334 221347630 /nfs/dbraw/zinc/34/76/30/221347630.db2.gz WHNQFKBGDMGHIV-MRXNPFEDSA-N 1 1 373.501 1.359 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccn3)CC2)C1 ZINC000071755053 221365167 /nfs/dbraw/zinc/36/51/67/221365167.db2.gz RWRAQERORXESFG-SFHVURJKSA-N 1 1 374.529 1.563 50 0 FDAAMO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCN(CCCO)CC2)C1 ZINC000071775545 221374887 /nfs/dbraw/zinc/37/48/87/221374887.db2.gz FIKPXHIMZCAXJY-KRWDZBQOSA-N 1 1 360.502 1.257 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000091643624 132202606 /nfs/dbraw/zinc/20/26/06/132202606.db2.gz QQAXITJQXXOVKT-UHFFFAOYSA-N 1 1 373.478 1.685 50 0 FDAAMO CN(C)c1nc(N2CCC3(C[NH2+][C@H](C(=O)[O-])C3)CC2)c2c([nH+]1)CCCC2 ZINC000091770476 132203798 /nfs/dbraw/zinc/20/37/98/132203798.db2.gz OEBFVYSGEFGKGO-HNNXBMFYSA-N 1 1 359.474 1.455 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3nccc(N)n3)C2)n1C ZINC000095386024 132210014 /nfs/dbraw/zinc/21/00/14/132210014.db2.gz WSXRFEAXZMYEJP-CYBMUJFWSA-N 1 1 353.434 1.125 50 0 FDAAMO Cc1cc(N2CCC([NH2+]Cc3nc(N)n[nH]3)CC2)nc(N2CCCCC2)n1 ZINC000095507957 132212847 /nfs/dbraw/zinc/21/28/47/132212847.db2.gz DJYVZLRVUCQIJD-UHFFFAOYSA-N 1 1 371.493 1.234 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000095529495 132215087 /nfs/dbraw/zinc/21/50/87/132215087.db2.gz HBFHVLKCPCXFRY-CQSZACIVSA-N 1 1 357.462 1.122 50 0 FDAAMO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095529495 132215089 /nfs/dbraw/zinc/21/50/89/132215089.db2.gz HBFHVLKCPCXFRY-CQSZACIVSA-N 1 1 357.462 1.122 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095529495 132215090 /nfs/dbraw/zinc/21/50/90/132215090.db2.gz HBFHVLKCPCXFRY-CQSZACIVSA-N 1 1 357.462 1.122 50 0 FDAAMO CCn1c(Cn2ccnc2)nnc1C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000096137434 132220169 /nfs/dbraw/zinc/22/01/69/132220169.db2.gz QXRQAGLKJTYEAE-UHFFFAOYSA-N 1 1 353.434 1.299 50 0 FDAAMO CCc1cc(N2CCC([N@H+]3Cc4nc(C)n(C)c(=O)c4C3)CC2)nc(C)n1 ZINC000096138008 132220192 /nfs/dbraw/zinc/22/01/92/132220192.db2.gz MVBCKNHPHSRUQZ-UHFFFAOYSA-N 1 1 368.485 1.734 50 0 FDAAMO Cc1cccc(N2CCN(CC(=O)N3CCC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000244724070 132290386 /nfs/dbraw/zinc/29/03/86/132290386.db2.gz MMYKBMNKUMICQJ-FQEVSTJZSA-N 1 1 356.514 1.814 50 0 FDAAMO C[C@H](O)C[N@H+]1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@H](C)C1 ZINC000225336180 132374612 /nfs/dbraw/zinc/37/46/12/132374612.db2.gz BJURPTWZAIJLLU-KGLIPLIRSA-N 1 1 368.441 1.000 50 0 FDAAMO C[NH+]1CCN(c2cc(OCCNC(=O)c3ccc(F)cc3)ncn2)CC1 ZINC000038521477 136118682 /nfs/dbraw/zinc/11/86/82/136118682.db2.gz VWNINUJKHQRYCT-UHFFFAOYSA-N 1 1 359.405 1.176 50 0 FDAAMO O=C1[C@@H]2CCCCN2C(=O)N1CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052584235 136124356 /nfs/dbraw/zinc/12/43/56/136124356.db2.gz GYYGQJMROIRYRA-KRWDZBQOSA-N 1 1 360.433 1.764 50 0 FDAAMO Cc1nccc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071422291 136139200 /nfs/dbraw/zinc/13/92/00/136139200.db2.gz VRYYWBDFPGEGMU-KRWDZBQOSA-N 1 1 373.501 1.325 50 0 FDAAMO Cc1cnc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc1N ZINC000071576118 136139563 /nfs/dbraw/zinc/13/95/63/136139563.db2.gz VFMFRRZMBGSRIY-AWEZNQCLSA-N 1 1 358.490 1.327 50 0 FDAAMO CCCc1nc(C)cc(N2CC[NH2+][C@@H](C(=O)Nc3ccc(C)nc3)C2)n1 ZINC000072169942 136143584 /nfs/dbraw/zinc/14/35/84/136143584.db2.gz LMKFTDIAEPWAMV-MRXNPFEDSA-N 1 1 354.458 1.858 50 0 FDAAMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891473 173354725 /nfs/dbraw/zinc/35/47/25/173354725.db2.gz SUJCDMBYNNJRJV-RHSMWYFYSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891473 173354726 /nfs/dbraw/zinc/35/47/26/173354726.db2.gz SUJCDMBYNNJRJV-RHSMWYFYSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC000135891473 173354728 /nfs/dbraw/zinc/35/47/28/173354728.db2.gz SUJCDMBYNNJRJV-RHSMWYFYSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)NC(=O)NC ZINC000135891473 173354730 /nfs/dbraw/zinc/35/47/30/173354730.db2.gz SUJCDMBYNNJRJV-RHSMWYFYSA-N 1 1 361.490 1.378 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C)c(F)c2F)C1 ZINC000091738051 221789979 /nfs/dbraw/zinc/78/99/79/221789979.db2.gz AILJGOVTBSWSTR-CABCVRRESA-N 1 1 370.440 1.922 50 0 FDAAMO O=C(c1cc(-c2ccncc2)[nH]n1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092107550 221839137 /nfs/dbraw/zinc/83/91/37/221839137.db2.gz VZUWZABEKBJMKK-IAGOWNOFSA-N 1 1 369.469 1.638 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)C[N@H+]1C1CCOCC1 ZINC000096132007 222036973 /nfs/dbraw/zinc/03/69/73/222036973.db2.gz WOBBSAFUXBSDQW-AEFFLSMTSA-N 1 1 374.485 1.302 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc(C)nc2)C[N@H+]1C1CCCC1 ZINC000096138092 222040633 /nfs/dbraw/zinc/04/06/33/222040633.db2.gz VCCMNLFGCBAKBE-AEFFLSMTSA-N 1 1 373.501 1.769 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cncnc2C)C[N@H+]1C1CCCC1 ZINC000096139064 222042908 /nfs/dbraw/zinc/04/29/08/222042908.db2.gz MODLGZYZVSYUSO-QAPCUYQASA-N 1 1 373.501 1.769 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000096149559 222052329 /nfs/dbraw/zinc/05/23/29/222052329.db2.gz OJIJKDPEWNAOQV-CQSZACIVSA-N 1 1 356.430 1.191 50 0 FDAAMO COc1ccc(OCC[NH+]2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 ZINC000096931031 222142252 /nfs/dbraw/zinc/14/22/52/222142252.db2.gz ANLRASMAZLBSNY-UHFFFAOYSA-N 1 1 374.441 1.627 50 0 FDAAMO O=C(CCc1nc2ccc(F)cc2[nH]1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000097307295 222175014 /nfs/dbraw/zinc/17/50/14/222175014.db2.gz QINRLDIRMKSAQW-UHFFFAOYSA-N 1 1 356.405 1.641 50 0 FDAAMO O=C(NC[C@@H](c1ccccc1F)N1CCCC1)C1CC[NH+](CCO)CC1 ZINC000097480554 222184591 /nfs/dbraw/zinc/18/45/91/222184591.db2.gz JFBIZEYLHRWICP-IBGZPJMESA-N 1 1 363.477 1.783 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000097604164 222198565 /nfs/dbraw/zinc/19/85/65/222198565.db2.gz VMGBUJMURRQJIE-GOSISDBHSA-N 1 1 352.438 1.533 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000097604164 222198568 /nfs/dbraw/zinc/19/85/68/222198568.db2.gz VMGBUJMURRQJIE-GOSISDBHSA-N 1 1 352.438 1.533 50 0 FDAAMO COc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1Cn1cncn1 ZINC000097660278 222204221 /nfs/dbraw/zinc/20/42/21/222204221.db2.gz BBVDZWKFTAVBGE-UHFFFAOYSA-N 1 1 353.430 1.833 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101344658 222270580 /nfs/dbraw/zinc/27/05/80/222270580.db2.gz ZXXJFGRXHYTOFZ-YRXWBPOGSA-N 1 1 373.412 1.683 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101344658 222270583 /nfs/dbraw/zinc/27/05/83/222270583.db2.gz ZXXJFGRXHYTOFZ-YRXWBPOGSA-N 1 1 373.412 1.683 50 0 FDAAMO CC(C)=CCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102762295 222307812 /nfs/dbraw/zinc/30/78/12/222307812.db2.gz LQPVNIIEZXSMDP-VQFNDLOPSA-N 1 1 369.513 1.517 50 0 FDAAMO C[C@H](C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000331074539 259174948 /nfs/dbraw/zinc/17/49/48/259174948.db2.gz KUGYFEPDJAFDQW-RISCZKNCSA-N 1 1 360.285 1.779 50 0 FDAAMO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332048010 259237108 /nfs/dbraw/zinc/23/71/08/259237108.db2.gz LEOJOKCWBGXYBX-CVEARBPZSA-N 1 1 361.490 1.787 50 0 FDAAMO Cc1c(CCNC(=O)N2CC[NH+](CCO)CC2)c2cccc3c2n1CCC3 ZINC000426479656 263600409 /nfs/dbraw/zinc/60/04/09/263600409.db2.gz GOGWTVHYCLWHTP-UHFFFAOYSA-N 1 1 370.497 1.758 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000004076046 518285676 /nfs/dbraw/zinc/28/56/76/518285676.db2.gz HFHODISSPBCMBX-KRWDZBQOSA-N 1 1 367.515 1.296 50 0 FDAAMO O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004487597 518299836 /nfs/dbraw/zinc/29/98/36/518299836.db2.gz ROUPVEVEXKIBOB-IPMKNSEASA-N 1 1 370.497 1.120 50 0 FDAAMO CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCC)C1 ZINC000004712191 518309698 /nfs/dbraw/zinc/30/96/98/518309698.db2.gz UXFNABCREKYRFI-INIZCTEOSA-N 1 1 361.552 1.676 50 0 FDAAMO OCC[NH+]1CCN(c2nc3ccccc3c(NCc3ccco3)n2)CC1 ZINC000004801983 518313078 /nfs/dbraw/zinc/31/30/78/518313078.db2.gz FAZDWJCDPLPQGG-UHFFFAOYSA-N 1 1 353.426 1.949 50 0 FDAAMO CC(NCC[NH+]1CCCCC1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000020334926 518475762 /nfs/dbraw/zinc/47/57/62/518475762.db2.gz AVMJTHYXGQAEFM-BMRADRMJSA-N 1 1 370.453 1.615 50 0 FDAAMO Cc1c(C)n2c3c(nc2n1CC[N@@H+]1C[C@H](C)C[C@H](C)C1)n(C)c(=O)[nH]c3=O ZINC000010233897 518530807 /nfs/dbraw/zinc/53/08/07/518530807.db2.gz ITSDTHLNJCIQEK-TXEJJXNPSA-N 1 1 372.473 1.271 50 0 FDAAMO COc1cccc(C[N@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 ZINC000011184467 518554378 /nfs/dbraw/zinc/55/43/78/518554378.db2.gz UAGNUXWOYIFRLR-GOSISDBHSA-N 1 1 369.421 1.407 50 0 FDAAMO COc1cccc(C[N@@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)c1 ZINC000011184467 518554384 /nfs/dbraw/zinc/55/43/84/518554384.db2.gz UAGNUXWOYIFRLR-GOSISDBHSA-N 1 1 369.421 1.407 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCC(N)=O)C1 ZINC000011663118 518568927 /nfs/dbraw/zinc/56/89/27/518568927.db2.gz WSMGMNOPXHFQMH-INIZCTEOSA-N 1 1 361.486 1.674 50 0 FDAAMO CCCC[C@H]1C[N@H+](CCNC(=O)Cn2cnnn2)Cc2ccccc2O1 ZINC000011880758 518577958 /nfs/dbraw/zinc/57/79/58/518577958.db2.gz MQUIISXUIRJNOM-INIZCTEOSA-N 1 1 358.446 1.243 50 0 FDAAMO CCCC[C@H]1C[N@@H+](CCNC(=O)Cn2cnnn2)Cc2ccccc2O1 ZINC000011880758 518577965 /nfs/dbraw/zinc/57/79/65/518577965.db2.gz MQUIISXUIRJNOM-INIZCTEOSA-N 1 1 358.446 1.243 50 0 FDAAMO CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc1 ZINC000011899038 518578455 /nfs/dbraw/zinc/57/84/55/518578455.db2.gz VTOGLAGCLZCEGN-QGZVFWFLSA-N 1 1 371.441 1.341 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCc1cccnc1 ZINC000011936804 518580391 /nfs/dbraw/zinc/58/03/91/518580391.db2.gz ROQSMCAFRJKLDB-GOSISDBHSA-N 1 1 358.486 1.511 50 0 FDAAMO CN(C(=O)CN1CCCC1=O)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012386396 518608902 /nfs/dbraw/zinc/60/89/02/518608902.db2.gz WCAZBFRKBZPWDY-GOSISDBHSA-N 1 1 355.482 1.699 50 0 FDAAMO CN(Cc1[nH]nc2c1CCCC2)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000012433467 518613303 /nfs/dbraw/zinc/61/33/03/518613303.db2.gz MOWVBPRZMUJFMM-SFHVURJKSA-N 1 1 373.501 1.380 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000020418598 518849975 /nfs/dbraw/zinc/84/99/75/518849975.db2.gz DTOHEQWHMLTINR-UHFFFAOYSA-N 1 1 366.465 1.850 50 0 FDAAMO COc1ccccc1CNC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000021638040 518878660 /nfs/dbraw/zinc/87/86/60/518878660.db2.gz BUVNSGXHGJGMDI-UHFFFAOYSA-N 1 1 355.442 1.475 50 0 FDAAMO COCC[NH+]1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000023340235 518947235 /nfs/dbraw/zinc/94/72/35/518947235.db2.gz NTAZSVIUGDMQIG-UHFFFAOYSA-N 1 1 350.444 1.521 50 0 FDAAMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000023696093 518962792 /nfs/dbraw/zinc/96/27/92/518962792.db2.gz IVXMSYNRZUOXBX-UHFFFAOYSA-N 1 1 358.442 1.306 50 0 FDAAMO CC(C)(CO)N1Cn2c3ccccc3nc2N(CCC[NH+]2CCOCC2)C1 ZINC000020101724 519278213 /nfs/dbraw/zinc/27/82/13/519278213.db2.gz CXMMBGGDPOQBEI-UHFFFAOYSA-N 1 1 373.501 1.567 50 0 FDAAMO C=Cc1cccc(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)c1 ZINC000082138612 519319623 /nfs/dbraw/zinc/31/96/23/519319623.db2.gz JKIKRCCHDZQHAI-UHFFFAOYSA-N 1 1 360.483 1.981 50 0 FDAAMO C=Cc1cccc(C[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)c1 ZINC000082138612 519319628 /nfs/dbraw/zinc/31/96/28/519319628.db2.gz JKIKRCCHDZQHAI-UHFFFAOYSA-N 1 1 360.483 1.981 50 0 FDAAMO Cc1cc(C)cc(C(=O)N(CCC(=O)N2CCNCC2)CC[NH+](C)C)c1 ZINC000035421531 519606804 /nfs/dbraw/zinc/60/68/04/519606804.db2.gz UKWCVBCJHXAGIW-UHFFFAOYSA-N 1 1 360.502 1.129 50 0 FDAAMO COc1ccc(CNC(=O)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485437 519607887 /nfs/dbraw/zinc/60/78/87/519607887.db2.gz VBEGXJOHSCWXQE-SFHVURJKSA-N 1 1 353.422 1.142 50 0 FDAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000040013595 519638732 /nfs/dbraw/zinc/63/87/32/519638732.db2.gz QTZHNTONJKXWAH-QAPCUYQASA-N 1 1 350.459 1.534 50 0 FDAAMO CC(C)[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)[NH+]1CCOCC1 ZINC000040043303 519638931 /nfs/dbraw/zinc/63/89/31/519638931.db2.gz ODTDMGNXADVTNO-NSHDSACASA-N 1 1 358.368 1.912 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@H](O)c3ccc(F)cc3)cc2C1 ZINC000082166262 519732154 /nfs/dbraw/zinc/73/21/54/519732154.db2.gz DTFJWSMULJMFCU-GOSISDBHSA-N 1 1 360.433 1.844 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ccncc3)c2)C1 ZINC000299781657 534449655 /nfs/dbraw/zinc/44/96/55/534449655.db2.gz UQVJSVOZVFOMAX-SFHVURJKSA-N 1 1 352.438 1.676 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3cncnc3)c2)C1 ZINC000299802975 534450670 /nfs/dbraw/zinc/45/06/70/534450670.db2.gz ZMUMUPUBXDFZCN-INIZCTEOSA-N 1 1 353.426 1.071 50 0 FDAAMO CCC[C@@H]1C[N@H+](Cc2cnc(N3CCCC3)s2)C[C@H]1NS(C)(=O)=O ZINC000082160734 520840942 /nfs/dbraw/zinc/84/09/42/520840942.db2.gz SFLHZHFJKLEHCL-UKRRQHHQSA-N 1 1 372.560 1.893 50 0 FDAAMO CCC[C@@H]1C[N@@H+](Cc2cnc(N3CCCC3)s2)C[C@H]1NS(C)(=O)=O ZINC000082160734 520840951 /nfs/dbraw/zinc/84/09/51/520840951.db2.gz SFLHZHFJKLEHCL-UKRRQHHQSA-N 1 1 372.560 1.893 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091468933 521122212 /nfs/dbraw/zinc/12/22/12/521122212.db2.gz TULMSVSRCXAGPU-ZIAGYGMSSA-N 1 1 358.841 1.474 50 0 FDAAMO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C[NH+]1CCC(O)CC1 ZINC000020950945 521695839 /nfs/dbraw/zinc/69/58/39/521695839.db2.gz BUYWFNCMJFFYTB-UHFFFAOYSA-N 1 1 364.471 1.993 50 0 FDAAMO CCNc1cc(NCCNS(=O)(=O)c2ccc(F)cc2F)[nH+]c(C)n1 ZINC000044213717 521928020 /nfs/dbraw/zinc/92/80/20/521928020.db2.gz PGNZNWTVXBRYQP-UHFFFAOYSA-N 1 1 371.413 1.885 50 0 FDAAMO COCC[NH+]1CCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000045254348 522059939 /nfs/dbraw/zinc/05/99/39/522059939.db2.gz GKCCIZDSMYDBOL-CQSZACIVSA-N 1 1 369.487 1.125 50 0 FDAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cn3c(n2)CNCC3)C1 ZINC000072124218 522156958 /nfs/dbraw/zinc/15/69/58/522156958.db2.gz ZIXYARBJKLIMGT-MRXNPFEDSA-N 1 1 353.470 1.514 50 0 FDAAMO CCCc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(F)cc2)no1 ZINC000072133580 522161637 /nfs/dbraw/zinc/16/16/37/522161637.db2.gz JOBISBUGBVLREQ-MRXNPFEDSA-N 1 1 360.389 1.819 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCNc1cccnc1 ZINC000072135283 522165794 /nfs/dbraw/zinc/16/57/94/522165794.db2.gz ZYJFJJWGVBQSSG-GOSISDBHSA-N 1 1 373.501 1.381 50 0 FDAAMO CC[N@@H+](C)[C@@H](C)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 ZINC000072145129 522169508 /nfs/dbraw/zinc/16/95/08/522169508.db2.gz JOLLKKDEZZUUBJ-AWEZNQCLSA-N 1 1 368.485 1.830 50 0 FDAAMO OCCOCC[N@H+]1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072150305 522176360 /nfs/dbraw/zinc/17/63/60/522176360.db2.gz LGCYXEDBWCLDIY-ATZDWAIDSA-N 1 1 352.425 1.836 50 0 FDAAMO CCSc1ncc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@@H+](C)C3)CC2)cn1 ZINC000072157224 522183592 /nfs/dbraw/zinc/18/35/92/522183592.db2.gz XGIYUZZPOVBFHD-AWEZNQCLSA-N 1 1 350.488 1.960 50 0 FDAAMO CNC(=O)c1nc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)no1 ZINC000072154659 522184228 /nfs/dbraw/zinc/18/42/28/522184228.db2.gz PRLPYTKGVSABHA-INIZCTEOSA-N 1 1 357.458 1.568 50 0 FDAAMO CN(Cc1nc(-c2ccncc2)no1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072407230 522237281 /nfs/dbraw/zinc/23/72/81/522237281.db2.gz FGCKNACMOKPACJ-OAHLLOKOSA-N 1 1 370.457 1.164 50 0 FDAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072409140 522239306 /nfs/dbraw/zinc/23/93/06/522239306.db2.gz MKROTGALJRJIPK-QGZVFWFLSA-N 1 1 358.417 1.600 50 0 FDAAMO Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C[C@H]1O ZINC000072412460 522245826 /nfs/dbraw/zinc/24/58/26/522245826.db2.gz YWHLFCPHLBVINU-PKOBYXMFSA-N 1 1 354.454 1.706 50 0 FDAAMO Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C[C@H]1O ZINC000072412460 522245833 /nfs/dbraw/zinc/24/58/33/522245833.db2.gz YWHLFCPHLBVINU-PKOBYXMFSA-N 1 1 354.454 1.706 50 0 FDAAMO Cc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072423363 522256447 /nfs/dbraw/zinc/25/64/47/522256447.db2.gz YNBSFGHYAPNDLL-KRWDZBQOSA-N 1 1 368.441 1.281 50 0 FDAAMO O=C(c1ccc(=O)[nH]c1)N1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072426685 522260849 /nfs/dbraw/zinc/26/08/49/522260849.db2.gz DHZCEOHLELEHBK-IBGZPJMESA-N 1 1 369.465 1.517 50 0 FDAAMO O=C(c1c[nH]c(=O)cc1O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072436693 522274843 /nfs/dbraw/zinc/27/48/43/522274843.db2.gz GFEZIFABUWBRKM-UHFFFAOYSA-N 1 1 355.438 1.861 50 0 FDAAMO Cc1c(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c(=O)n(-c2ccccc2)n1C ZINC000072472972 522292152 /nfs/dbraw/zinc/29/21/52/522292152.db2.gz DIJPFQLHMOCCMZ-HXUWFJFHSA-N 1 1 370.453 1.901 50 0 FDAAMO Cc1nnnn1CCC[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000072470408 522293779 /nfs/dbraw/zinc/29/37/79/522293779.db2.gz QYSSTSFXKUDMCV-GOSISDBHSA-N 1 1 362.453 1.080 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)CN3CCOCC3)CC2)c1 ZINC000046485382 522309265 /nfs/dbraw/zinc/30/92/65/522309265.db2.gz CGFOTAHFYIXVCY-SFHVURJKSA-N 1 1 360.502 1.543 50 0 FDAAMO CN(C)c1nc(Cl)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)s1 ZINC000091644500 522321327 /nfs/dbraw/zinc/32/13/27/522321327.db2.gz XZPANBOALGUWFT-CHWSQXEVSA-N 1 1 374.938 1.235 50 0 FDAAMO CN(C)c1nc(Cl)c(CN2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000091644500 522321346 /nfs/dbraw/zinc/32/13/46/522321346.db2.gz XZPANBOALGUWFT-CHWSQXEVSA-N 1 1 374.938 1.235 50 0 FDAAMO C[C@H]1CCC[N@@H+](CCNC(=O)Cn2cc(Br)ccc2=O)C1 ZINC000046880376 522376174 /nfs/dbraw/zinc/37/61/74/522376174.db2.gz WSCXRCZZCYSXFP-LBPRGKRZSA-N 1 1 356.264 1.459 50 0 FDAAMO O=c1c2c(ccn2Cc2cccnc2)ccn1CCC[NH+]1CCOCC1 ZINC000065224717 522792515 /nfs/dbraw/zinc/79/25/15/522792515.db2.gz AUNXRRLOHHGWDA-UHFFFAOYSA-N 1 1 352.438 1.969 50 0 FDAAMO CCc1noc(C[NH+]2CCC3(CCC(=O)N(CCCOC)C3)CC2)n1 ZINC000091625269 522896449 /nfs/dbraw/zinc/89/64/49/522896449.db2.gz LUIKXTWZHRDKME-UHFFFAOYSA-N 1 1 350.463 1.873 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077358363 523309711 /nfs/dbraw/zinc/30/97/11/523309711.db2.gz BNQOBDXULIHULE-MRXNPFEDSA-N 1 1 362.474 1.033 50 0 FDAAMO CC(=O)N[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnccn3)CC2)C[C@H]1C(C)C ZINC000077386839 523315709 /nfs/dbraw/zinc/31/57/09/523315709.db2.gz STDCUTILVXPJGZ-FUHWJXTLSA-N 1 1 359.474 1.174 50 0 FDAAMO Cn1cnnc1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077385968 523316753 /nfs/dbraw/zinc/31/67/53/523316753.db2.gz AVBCKDCPICHLIJ-UHFFFAOYSA-N 1 1 355.486 1.915 50 0 FDAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CC[N@@H+](C)[C@H]1CCN(C)C1 ZINC000077407436 523328439 /nfs/dbraw/zinc/32/84/39/523328439.db2.gz GPGQEQXASFLJFB-IBGZPJMESA-N 1 1 373.476 1.996 50 0 FDAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000077407436 523328443 /nfs/dbraw/zinc/32/84/43/523328443.db2.gz GPGQEQXASFLJFB-IBGZPJMESA-N 1 1 373.476 1.996 50 0 FDAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000077407436 523328445 /nfs/dbraw/zinc/32/84/45/523328445.db2.gz GPGQEQXASFLJFB-IBGZPJMESA-N 1 1 373.476 1.996 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](CCCOc2ccc(F)cc2)C[C@H]1O)c1ccccn1 ZINC000077469787 523350315 /nfs/dbraw/zinc/35/03/15/523350315.db2.gz FDVCMFUUAYAFQY-IEBWSBKVSA-N 1 1 373.428 1.855 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)C2(c3ccc(C)cc3)CC2)C[C@@H]1CO ZINC000091519181 523618395 /nfs/dbraw/zinc/61/83/95/523618395.db2.gz CZONAZCVCIJJKV-QZTJIDSGSA-N 1 1 360.498 1.672 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CC(=O)N(c2ccccn2)C1 ZINC000079097199 523702060 /nfs/dbraw/zinc/70/20/60/523702060.db2.gz JOTNENZJJGYLEA-IAGOWNOFSA-N 1 1 356.470 1.815 50 0 FDAAMO O=C(Cn1nc2c(cc1=O)CCCC2)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189391 523721076 /nfs/dbraw/zinc/72/10/76/523721076.db2.gz BRLJDALPBMTWCG-FUHWJXTLSA-N 1 1 358.486 1.503 50 0 biogenic FDAAMO CN(C)C(=O)C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000091691681 523986870 /nfs/dbraw/zinc/98/68/70/523986870.db2.gz KSVZZKROWHDPLC-UHFFFAOYSA-N 1 1 357.462 1.125 50 0 FDAAMO C[C@H](C[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000082091301 524206461 /nfs/dbraw/zinc/20/64/61/524206461.db2.gz YJOVAYNPEFOWBE-OAHLLOKOSA-N 1 1 362.499 1.942 50 0 FDAAMO CC[N@H+]1CCC[C@@H](CN2CCCn3nc(CNC(=O)COC)cc3C2)C1 ZINC000082092809 524209580 /nfs/dbraw/zinc/20/95/80/524209580.db2.gz DKUGROOLZDSFPK-MRXNPFEDSA-N 1 1 363.506 1.083 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)[C@H]3CCCCN3C(C)=O)cc2C1 ZINC000082161483 524218960 /nfs/dbraw/zinc/21/89/60/524218960.db2.gz DDUVVNLTXHXETQ-GOSISDBHSA-N 1 1 361.490 1.516 50 0 FDAAMO C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CC[NH+](C)CC1 ZINC000083967033 524280872 /nfs/dbraw/zinc/28/08/72/524280872.db2.gz NCKZOGRHSOSJQA-DZGCQCFKSA-N 1 1 364.877 1.197 50 0 FDAAMO CN1CC[C@]2(CN(Cc3ccc4nsnc4c3)CC[N@H+]2C)CCC1=O ZINC000091269783 524687574 /nfs/dbraw/zinc/68/75/74/524687574.db2.gz PKUFVALHORUAGV-SFHVURJKSA-N 1 1 359.499 1.820 50 0 FDAAMO COc1ccc(N[C@H]2CCCN(C(=O)CCN3CC[NH+](C)CC3)C2)cc1 ZINC000020271023 524712093 /nfs/dbraw/zinc/71/20/93/524712093.db2.gz LPPZMBWNSFBSSL-SFHVURJKSA-N 1 1 360.502 1.736 50 0 FDAAMO CC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccc3nonc31)CC2 ZINC000091656574 524755063 /nfs/dbraw/zinc/75/50/63/524755063.db2.gz JOAQPVZGLMNEGQ-UHFFFAOYSA-N 1 1 366.425 1.842 50 0 FDAAMO O=C(c1c(F)cccc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091664650 524757195 /nfs/dbraw/zinc/75/71/95/524757195.db2.gz QOZMVXNCCFVSOY-CHWSQXEVSA-N 1 1 356.825 1.492 50 0 FDAAMO CCn1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091713545 524766697 /nfs/dbraw/zinc/76/66/97/524766697.db2.gz VEZBWQJKQCOPMK-INIZCTEOSA-N 1 1 373.501 1.452 50 0 FDAAMO O=C(N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2)CC1 ZINC000091746421 524772981 /nfs/dbraw/zinc/77/29/81/524772981.db2.gz DHAZRZDYGJIJTB-QZTJIDSGSA-N 1 1 358.482 1.507 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)NC[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000091756082 524777752 /nfs/dbraw/zinc/77/77/52/524777752.db2.gz DVWRYTWCYRGHAN-SFHVURJKSA-N 1 1 355.438 1.187 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1CO ZINC000091769831 524779275 /nfs/dbraw/zinc/77/92/75/524779275.db2.gz XEXKSVVBPIRHNV-ZIAGYGMSSA-N 1 1 364.383 1.809 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2cc(F)cc(Cl)c2)C[C@@H]1CO ZINC000091818366 524790035 /nfs/dbraw/zinc/79/00/35/524790035.db2.gz NKNVIHWOKNLEQG-HUUCEWRRSA-N 1 1 372.868 1.667 50 0 FDAAMO CCC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1NC(=O)C1(c2ccc(OC)cc2)CC1 ZINC000091859648 524800697 /nfs/dbraw/zinc/80/06/97/524800697.db2.gz SNBBNPCQSBSYQX-YOEHRIQHSA-N 1 1 359.470 1.429 50 0 FDAAMO CCC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)C1(c2ccc(OC)cc2)CC1 ZINC000091859648 524800706 /nfs/dbraw/zinc/80/07/06/524800706.db2.gz SNBBNPCQSBSYQX-YOEHRIQHSA-N 1 1 359.470 1.429 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cc(F)cc(F)c1)C2 ZINC000091876835 524804788 /nfs/dbraw/zinc/80/47/88/524804788.db2.gz KPIRENPOIJCDHZ-SUMWQHHRSA-N 1 1 365.424 1.518 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cc(F)cc(F)c1)C2 ZINC000091876835 524804800 /nfs/dbraw/zinc/80/48/00/524804800.db2.gz KPIRENPOIJCDHZ-SUMWQHHRSA-N 1 1 365.424 1.518 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1CO ZINC000091974386 524824393 /nfs/dbraw/zinc/82/43/93/524824393.db2.gz NXDQWZWHIGXVAE-CHWSQXEVSA-N 1 1 358.841 1.738 50 0 FDAAMO O=C(Cc1ccc(Cl)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092002936 524829509 /nfs/dbraw/zinc/82/95/09/524829509.db2.gz RZRBKKYVCTZHJX-HZPDHXFCSA-N 1 1 352.862 1.282 50 0 FDAAMO O=S1(=O)CC[C@@H]([NH+]2CCC(c3ncnn3-c3ccc(F)cc3)CC2)C1 ZINC000092065545 524838867 /nfs/dbraw/zinc/83/88/67/524838867.db2.gz GABKURRWRBLDDB-MRXNPFEDSA-N 1 1 364.446 1.773 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](O)c1ccc(F)cc1)CC2 ZINC000092096912 524846042 /nfs/dbraw/zinc/84/60/42/524846042.db2.gz GTIJTDHKTFEOLC-QGZVFWFLSA-N 1 1 372.444 1.978 50 0 FDAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1nccs1 ZINC000079481777 525031097 /nfs/dbraw/zinc/03/10/97/525031097.db2.gz OHJDFRVZYCCWSG-AWEZNQCLSA-N 1 1 373.482 1.998 50 0 FDAAMO CCn1nc(C)c(C[N@@H+]2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)c1C ZINC000095357900 525030918 /nfs/dbraw/zinc/03/09/18/525030918.db2.gz YBGVXICFBQMFGM-DOTOQJQBSA-N 1 1 371.551 1.372 50 0 FDAAMO Cc1ccccc1-n1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cn1 ZINC000091526435 525031364 /nfs/dbraw/zinc/03/13/64/525031364.db2.gz OBGXPEQLANUNJP-WOJBJXKFSA-N 1 1 370.497 1.553 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1C ZINC000095358471 525034127 /nfs/dbraw/zinc/03/41/27/525034127.db2.gz LXNTTZIZRXJHHN-HNNXBMFYSA-N 1 1 353.430 1.716 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000095386302 525059846 /nfs/dbraw/zinc/05/98/46/525059846.db2.gz GSDGOUBMBSEGSL-IAGOWNOFSA-N 1 1 365.905 1.197 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386917 525060451 /nfs/dbraw/zinc/06/04/51/525060451.db2.gz CDOVAZOBHFYHJF-BRWVUGGUSA-N 1 1 371.453 1.633 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000095449878 525070605 /nfs/dbraw/zinc/07/06/05/525070605.db2.gz JBAAVTAVWKTNMZ-HKUYNNGSSA-N 1 1 374.529 1.982 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000095449878 525070614 /nfs/dbraw/zinc/07/06/14/525070614.db2.gz JBAAVTAVWKTNMZ-HKUYNNGSSA-N 1 1 374.529 1.982 50 0 FDAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1nncs1 ZINC000095482665 525077448 /nfs/dbraw/zinc/07/74/48/525077448.db2.gz SUVNJNYRJAJAPB-CYBMUJFWSA-N 1 1 374.470 1.393 50 0 FDAAMO O=C(Cc1ccc(-n2cnnn2)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095496686 525080623 /nfs/dbraw/zinc/08/06/23/525080623.db2.gz HSZMOAYHHITCIY-IEBWSBKVSA-N 1 1 366.469 1.538 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCc2onc(C(=O)N(C)C)c2C1 ZINC000095497005 525081120 /nfs/dbraw/zinc/08/11/20/525081120.db2.gz GYXJYVNYJJYNFD-GFCCVEGCSA-N 1 1 359.430 1.842 50 0 FDAAMO COc1ccc(CN2CCCOCC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095499075 525082975 /nfs/dbraw/zinc/08/29/75/525082975.db2.gz XKTGMZFLXOAVLC-GOSISDBHSA-N 1 1 364.486 1.753 50 0 FDAAMO NC(=O)CN(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095500447 525083162 /nfs/dbraw/zinc/08/31/62/525083162.db2.gz DYLLMFZDKCHEHB-OAQYLSRUSA-N 1 1 371.525 1.832 50 0 FDAAMO O=C(CCC1CCN(C(=O)CO)CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095506884 525091156 /nfs/dbraw/zinc/09/11/56/525091156.db2.gz DKPFMYJRKNFXGM-LJQANCHMSA-N 1 1 373.497 1.388 50 0 FDAAMO CN(C)C(=O)NCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000095513255 525095045 /nfs/dbraw/zinc/09/50/45/525095045.db2.gz PYVZLTQXQYDBJI-SFHVURJKSA-N 1 1 360.502 1.671 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)no1 ZINC000095512553 525095701 /nfs/dbraw/zinc/09/57/01/525095701.db2.gz FBQIAUMOIGCZEM-INIZCTEOSA-N 1 1 373.457 1.527 50 0 FDAAMO Cc1cc(N2CCC(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)nc(C)n1 ZINC000176883314 525192976 /nfs/dbraw/zinc/19/29/76/525192976.db2.gz WXUWXXAIIZVMBS-KRWDZBQOSA-N 1 1 358.490 1.552 50 0 FDAAMO O=c1c(=O)c(NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1NCc1ccccn1 ZINC000100794856 525216249 /nfs/dbraw/zinc/21/62/49/525216249.db2.gz JGBGBTDWLACABX-GOEBONIOSA-N 1 1 354.454 1.966 50 0 biogenic FDAAMO OCCO[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000179580487 525603421 /nfs/dbraw/zinc/60/34/21/525603421.db2.gz WPFSYKBNZILFNK-INIZCTEOSA-N 1 1 359.426 1.821 50 0 FDAAMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000170591724 525636394 /nfs/dbraw/zinc/63/63/94/525636394.db2.gz DERXHPSQUSSFHI-RHSMWYFYSA-N 1 1 368.499 1.508 50 0 FDAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cn1 ZINC000107253158 525853618 /nfs/dbraw/zinc/85/36/18/525853618.db2.gz NGILOTBBQSDZOT-UHFFFAOYSA-N 1 1 369.425 1.099 50 0 FDAAMO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cn1 ZINC000107253158 525853622 /nfs/dbraw/zinc/85/36/22/525853622.db2.gz NGILOTBBQSDZOT-UHFFFAOYSA-N 1 1 369.425 1.099 50 0 FDAAMO O=C(CCn1cnnn1)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082148100 526688445 /nfs/dbraw/zinc/68/84/45/526688445.db2.gz LTYQRIHEWBWRAU-UHFFFAOYSA-N 1 1 372.477 1.115 50 0 FDAAMO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072408006 534966904 /nfs/dbraw/zinc/96/69/04/534966904.db2.gz DYNYWJAUYJXXHO-MRXNPFEDSA-N 1 1 361.490 1.359 50 0 FDAAMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072408006 534966910 /nfs/dbraw/zinc/96/69/10/534966910.db2.gz DYNYWJAUYJXXHO-MRXNPFEDSA-N 1 1 361.490 1.359 50 0 FDAAMO c1cn(-c2ccc(C[N@H+]3CCCO[C@@H](CN4CCOCC4)C3)cc2)cn1 ZINC000215810821 537440767 /nfs/dbraw/zinc/44/07/67/537440767.db2.gz VALXMQPQLALZTD-FQEVSTJZSA-N 1 1 356.470 1.795 50 0 FDAAMO C[NH+]1CCN(CCC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000220529842 537489422 /nfs/dbraw/zinc/48/94/22/537489422.db2.gz IKRNSBWMKBRRDK-UHFFFAOYSA-N 1 1 361.877 1.984 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)N3CC[N@@H+](CC4CC4)[C@@H](CCO)C3)cc2n1 ZINC000244633550 537648968 /nfs/dbraw/zinc/64/89/68/537648968.db2.gz GEVKWRAPZBYPNS-INIZCTEOSA-N 1 1 357.458 1.265 50 0 FDAAMO Cc1noc(-c2ccc(N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3O)nc2)n1 ZINC000244735136 537652320 /nfs/dbraw/zinc/65/23/20/537652320.db2.gz NTJHVHHKYWFXTN-IAGOWNOFSA-N 1 1 366.425 1.882 50 0 FDAAMO Cc1noc(-c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3O)nc2)n1 ZINC000244735136 537652324 /nfs/dbraw/zinc/65/23/24/537652324.db2.gz NTJHVHHKYWFXTN-IAGOWNOFSA-N 1 1 366.425 1.882 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000426699909 538124323 /nfs/dbraw/zinc/12/43/23/538124323.db2.gz JSMMMLTVJGIRQA-CYBMUJFWSA-N 1 1 356.426 1.922 50 0 FDAAMO O=C(NCc1cc(-c2ccccc2Cl)no1)N1CC[NH+](CCO)CC1 ZINC000584895129 551565947 /nfs/dbraw/zinc/56/59/47/551565947.db2.gz IALXREVJWMVIKF-UHFFFAOYSA-N 1 1 364.833 1.815 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC1)NC1CC1 ZINC000584895671 551566453 /nfs/dbraw/zinc/56/64/53/551566453.db2.gz ZKCSWQNJSOEHDK-AWEZNQCLSA-N 1 1 374.489 1.042 50 0 FDAAMO CC[C@](C)(CNC(=O)COCc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000046788504 570874962 /nfs/dbraw/zinc/87/49/62/570874962.db2.gz KEYKSVRFAYOGIA-LJQANCHMSA-N 1 1 350.459 1.829 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000045867445 570913535 /nfs/dbraw/zinc/91/35/35/570913535.db2.gz SRKWUQFUWNHQTJ-ZYHUDNBSSA-N 1 1 350.385 1.356 50 0 FDAAMO O=C(CC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1)N1CCCC1 ZINC000048324367 570945558 /nfs/dbraw/zinc/94/55/58/570945558.db2.gz IMBCYZSZSRHHBI-UHFFFAOYSA-N 1 1 360.483 1.981 50 0 FDAAMO CCc1nc(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)cc(C)[nH+]1 ZINC000685940948 571101175 /nfs/dbraw/zinc/10/11/75/571101175.db2.gz LLNXBWTXNMNDDN-BFHYXJOUSA-N 1 1 358.446 1.436 50 0 FDAAMO O=C(c1cnc(C2CC[NH2+]CC2)[nH]1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000685941908 571101414 /nfs/dbraw/zinc/10/14/14/571101414.db2.gz JFSCDGKRBQARAB-QGZVFWFLSA-N 1 1 354.454 1.960 50 0 FDAAMO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000426635566 571105594 /nfs/dbraw/zinc/10/55/94/571105594.db2.gz UYPSFRSRQUZXNO-ZDUSSCGKSA-N 1 1 370.432 1.724 50 0 FDAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244708252 571114628 /nfs/dbraw/zinc/11/46/28/571114628.db2.gz KQCBUWFHIGBJEU-UHFFFAOYSA-N 1 1 356.430 1.699 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)CCCn3nc(C)cc3C)C2)[nH+]c(N)n1 ZINC000252536057 571134132 /nfs/dbraw/zinc/13/41/32/571134132.db2.gz HNCCDGXQWGUGJG-OKILXGFUSA-N 1 1 357.462 1.756 50 0 FDAAMO Cc1cnc(C)c(N2CCN(c3cc([C@H]4CCOC4)[nH+]c(N)n3)CC2)n1 ZINC000426406035 571137642 /nfs/dbraw/zinc/13/76/42/571137642.db2.gz FHHNLRKIRMTUKH-AWEZNQCLSA-N 1 1 355.446 1.296 50 0 FDAAMO [NH3+]CCCOc1ccc(F)cc1C(=O)N[C@H]1COC[C@@H]1N1CCCCC1 ZINC000426361115 571215272 /nfs/dbraw/zinc/21/52/72/571215272.db2.gz GDVWUMXQOWKKBP-IRXDYDNUSA-N 1 1 365.449 1.536 50 0 FDAAMO [NH3+]CCOc1ccc(Cl)cc1C(=O)N[C@H]1COC[C@@H]1N1CCCC1 ZINC000426497028 571228518 /nfs/dbraw/zinc/22/85/18/571228518.db2.gz VARNPSAPTPDMJM-GJZGRUSLSA-N 1 1 353.850 1.271 50 0 FDAAMO OCCNc1nc(NCc2cnc3ccccc3c2)cc([C@H]2CCOC2)[nH+]1 ZINC000426530678 571230376 /nfs/dbraw/zinc/23/03/76/571230376.db2.gz AYLWNZAQWVDBHV-INIZCTEOSA-N 1 1 365.437 1.389 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C)CC2=O)cc1 ZINC000426685301 571235011 /nfs/dbraw/zinc/23/50/11/571235011.db2.gz MHNHDMXNWFMCER-GOSISDBHSA-N 1 1 358.486 1.833 50 0 FDAAMO Cc1noc(C)c1CN(C)C(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000426712213 571236277 /nfs/dbraw/zinc/23/62/77/571236277.db2.gz TXFDYVTWRIQUEF-OAHLLOKOSA-N 1 1 369.487 1.149 50 0 FDAAMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[C@]1(O)CCCOC1 ZINC000585091638 571320381 /nfs/dbraw/zinc/32/03/81/571320381.db2.gz CQAQFHJQWYFECQ-UXHICEINSA-N 1 1 373.453 1.115 50 0 FDAAMO O=C(Cc1cccnc1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670438275 571347810 /nfs/dbraw/zinc/34/78/10/571347810.db2.gz ZQAXJDSPHWPJCG-QUENFVSXSA-N 1 1 362.477 1.308 50 0 FDAAMO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](O)C2)c(Cl)cc1F ZINC000670446641 571350836 /nfs/dbraw/zinc/35/08/36/571350836.db2.gz BCEWMDOVEXEOPF-LBPRGKRZSA-N 1 1 364.870 1.913 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670454166 571353388 /nfs/dbraw/zinc/35/33/88/571353388.db2.gz SRUXOODYMNVGKG-INIZCTEOSA-N 1 1 370.515 1.944 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000670454166 571353389 /nfs/dbraw/zinc/35/33/89/571353389.db2.gz SRUXOODYMNVGKG-INIZCTEOSA-N 1 1 370.515 1.944 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000012460135 670613374 /nfs/dbraw/zinc/61/33/74/670613374.db2.gz WQOQQOQKVKPDFJ-KRWDZBQOSA-N 1 1 352.504 1.079 50 0 FDAAMO COCC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000015067568 670627180 /nfs/dbraw/zinc/62/71/80/670627180.db2.gz ARVFCFUIGAGBCW-INIZCTEOSA-N 1 1 350.459 1.816 50 0 FDAAMO Cc1ncsc1C[N@H+]1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169783171 672041310 /nfs/dbraw/zinc/04/13/10/672041310.db2.gz FHDRZFNIUMPLAV-UHFFFAOYSA-N 1 1 355.467 1.916 50 0 FDAAMO Cc1ncsc1C[N@@H+]1CCc2nn(Cc3ccccc3)c(=O)n2CC1 ZINC000169783171 672041312 /nfs/dbraw/zinc/04/13/12/672041312.db2.gz FHDRZFNIUMPLAV-UHFFFAOYSA-N 1 1 355.467 1.916 50 0 FDAAMO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(Br)o3)C[C@H]2C(N)=O)[nH]1 ZINC000169791254 672042580 /nfs/dbraw/zinc/04/25/80/672042580.db2.gz KYZFQKODQKNDPZ-NXEZZACHSA-N 1 1 354.208 1.170 50 0 FDAAMO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(Br)o3)C[C@H]2C(N)=O)[nH]1 ZINC000169791254 672042583 /nfs/dbraw/zinc/04/25/83/672042583.db2.gz KYZFQKODQKNDPZ-NXEZZACHSA-N 1 1 354.208 1.170 50 0 FDAAMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)o1 ZINC000192532726 672355791 /nfs/dbraw/zinc/35/57/91/672355791.db2.gz XYJGYIIBXRSBHA-LBPRGKRZSA-N 1 1 363.439 1.475 50 0 FDAAMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccccc3S(C)(=O)=O)CC[C@H]21 ZINC000334123303 676782541 /nfs/dbraw/zinc/78/25/41/676782541.db2.gz NDNQKHHXBDOQLH-HZPDHXFCSA-N 1 1 365.499 1.716 50 0 FDAAMO Cc1c[nH+]ccc1OC1CCN(Cc2nnnn2CC2CCOCC2)CC1 ZINC000289350797 773349236 /nfs/dbraw/zinc/34/92/36/773349236.db2.gz HENZWZKGNIFVSB-UHFFFAOYSA-N 1 1 372.473 1.847 50 0 FDAAMO Cc1cnc(N2CCC[C@H](Cn3cc(C[NH+]4CCCC4)nn3)C2)nc1N ZINC000023379878 785859773 /nfs/dbraw/zinc/85/97/73/785859773.db2.gz SBKKPPOOZVGFMB-HNNXBMFYSA-N 1 1 356.478 1.471 50 0 FDAAMO CC(=O)N1CC[C@H](c2nnc3n2CC[N@H+](CCc2ccccc2)CC3)C1 ZINC000257187346 793969873 /nfs/dbraw/zinc/96/98/73/793969873.db2.gz ARNCAYKWUZWMTR-SFHVURJKSA-N 1 1 353.470 1.715 50 0 FDAAMO CCS(=O)(=O)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802177 794242050 /nfs/dbraw/zinc/24/20/50/794242050.db2.gz HBYZVIQPQLOCLQ-KRWDZBQOSA-N 1 1 372.531 1.461 50 0 FDAAMO CCS(=O)(=O)N1CCC([N@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802177 794242058 /nfs/dbraw/zinc/24/20/58/794242058.db2.gz HBYZVIQPQLOCLQ-KRWDZBQOSA-N 1 1 372.531 1.461 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@H](c3cc4n(n3)CCCNC4=O)C2)c(C)n1 ZINC000675008536 795198882 /nfs/dbraw/zinc/19/88/82/795198882.db2.gz FOGJJWLCECMSIG-HNNXBMFYSA-N 1 1 356.474 1.921 50 0 FDAAMO CC(=O)N1CCC([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CO)CC1 ZINC000675020589 795238746 /nfs/dbraw/zinc/23/87/46/795238746.db2.gz DGUKSWKWHGYNNW-OALUTQOASA-N 1 1 374.481 1.757 50 0 FDAAMO Cc1cc(C[N@H+]2CCc3c(C(N)=O)nc(-c4ccccc4)n3CC2)n(C)n1 ZINC000675025910 795272763 /nfs/dbraw/zinc/27/27/63/795272763.db2.gz MOWYUJAWIOEUPA-UHFFFAOYSA-N 1 1 364.453 1.749 50 0 FDAAMO Cc1cc(C[N@@H+]2CCc3c(C(N)=O)nc(-c4ccccc4)n3CC2)n(C)n1 ZINC000675025910 795272766 /nfs/dbraw/zinc/27/27/66/795272766.db2.gz MOWYUJAWIOEUPA-UHFFFAOYSA-N 1 1 364.453 1.749 50 0 FDAAMO CC(C)[N@H+]1CC[C@@H](N(C)c2ncnc3c2ncn3CC2(O)CCOCC2)C1 ZINC000888097808 808187937 /nfs/dbraw/zinc/18/79/37/808187937.db2.gz PJNWYWWJTVPTHF-OAHLLOKOSA-N 1 1 374.489 1.287 50 0 FDAAMO C[C@H](Cc1ccccn1)NC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000426556047 810662771 /nfs/dbraw/zinc/66/27/71/810662771.db2.gz TXTCXHXRIJUONH-QGZVFWFLSA-N 1 1 359.518 1.824 50 0 FDAAMO C[C@H](Cc1ccccn1)NC(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000426556047 810662774 /nfs/dbraw/zinc/66/27/74/810662774.db2.gz TXTCXHXRIJUONH-QGZVFWFLSA-N 1 1 359.518 1.824 50 0 FDAAMO O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000120404118 825846715 /nfs/dbraw/zinc/84/67/15/825846715.db2.gz NEZPQTKOOPIZMV-OAHLLOKOSA-N 1 1 352.438 1.511 50 0 FDAAMO CCOC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000810043994 845650097 /nfs/dbraw/zinc/65/00/97/845650097.db2.gz VNYFCOZHLJXKKQ-OAHLLOKOSA-N 1 1 355.479 1.567 50 0 FDAAMO Cc1ccc(N2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)nn1 ZINC000082098043 847976734 /nfs/dbraw/zinc/97/67/34/847976734.db2.gz XQJJBOHREVDNNL-LJQANCHMSA-N 1 1 354.458 1.960 50 0 FDAAMO CC[NH+]1CCN(c2nc3c(s2)CN(C(=O)Cc2cccnc2)CC3)CC1 ZINC000169751826 864483748 /nfs/dbraw/zinc/48/37/48/864483748.db2.gz DEMUCSHIVZIFIO-UHFFFAOYSA-N 1 1 371.510 1.807 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2)CC3)CC1 ZINC000169752203 864486601 /nfs/dbraw/zinc/48/66/01/864486601.db2.gz SXMRTBHEPPUHNB-UHFFFAOYSA-N 1 1 353.470 1.123 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000169752203 864486606 /nfs/dbraw/zinc/48/66/06/864486606.db2.gz SXMRTBHEPPUHNB-UHFFFAOYSA-N 1 1 353.470 1.123 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCc3nc(N4CCN(C)CC4)[nH]c(=O)c3CC2)cc1 ZINC000169757527 864489437 /nfs/dbraw/zinc/48/94/37/864489437.db2.gz BWPJLVCZTLHRRR-UHFFFAOYSA-N 1 1 367.497 1.431 50 0 FDAAMO Cc1ccc(C[N@H+]2CCc3nc(N4CCN(C)CC4)[nH]c(=O)c3CC2)cc1 ZINC000169757527 864489441 /nfs/dbraw/zinc/48/94/41/864489441.db2.gz BWPJLVCZTLHRRR-UHFFFAOYSA-N 1 1 367.497 1.431 50 0 FDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1Cn2cccc2C(=O)N1 ZINC000169776948 864508633 /nfs/dbraw/zinc/50/86/33/864508633.db2.gz CRILAQAKTNPYMQ-QGZVFWFLSA-N 1 1 352.438 1.165 50 0 FDAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC000169782091 864522697 /nfs/dbraw/zinc/52/26/97/864522697.db2.gz FENOCTOMDKZAHN-IBGZPJMESA-N 1 1 372.509 1.898 50 0 FDAAMO O=C(CCO)N1CC[C@@H](c2nnc3n2CC[N@H+](Cc2ccccc2)CC3)C1 ZINC000257188097 864540365 /nfs/dbraw/zinc/54/03/65/864540365.db2.gz DMXYFOHPMHTQNI-QGZVFWFLSA-N 1 1 369.469 1.035 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000012203745 877178828 /nfs/dbraw/zinc/17/88/28/877178828.db2.gz FJKOXGVAOMVPOO-ZDUSSCGKSA-N 1 1 369.454 1.970 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000012203745 877178836 /nfs/dbraw/zinc/17/88/36/877178836.db2.gz FJKOXGVAOMVPOO-ZDUSSCGKSA-N 1 1 369.454 1.970 50 0 FDAAMO Cc1nc(C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)n(-c2cccnc2)n1 ZINC000825292033 923568873 /nfs/dbraw/zinc/56/88/73/923568873.db2.gz LYBFFTKMIREQET-INIZCTEOSA-N 1 1 361.471 1.337 50 0 FDAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000827860791 924774323 /nfs/dbraw/zinc/77/43/23/924774323.db2.gz HUPOGZOELLNCQJ-INIZCTEOSA-N 1 1 370.453 1.171 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@@H](c4nc(C)no4)[N@H+](C)C3)CC2)n(C)n1 ZINC000581802530 927586928 /nfs/dbraw/zinc/58/69/28/927586928.db2.gz JJEYJLHXMRDESS-HNNXBMFYSA-N 1 1 358.446 1.719 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@@H](c4nc(C)no4)[N@@H+](C)C3)CC2)n(C)n1 ZINC000581802530 927586932 /nfs/dbraw/zinc/58/69/32/927586932.db2.gz JJEYJLHXMRDESS-HNNXBMFYSA-N 1 1 358.446 1.719 50 0 FDAAMO CN(Cc1nncn1C)C(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000585083209 943831572 /nfs/dbraw/zinc/83/15/72/943831572.db2.gz AIMFLILZKOYOHM-HNNXBMFYSA-N 1 1 370.457 1.124 50 0 FDAAMO CN(Cc1nncn1C)C(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000585083209 943831577 /nfs/dbraw/zinc/83/15/77/943831577.db2.gz AIMFLILZKOYOHM-HNNXBMFYSA-N 1 1 370.457 1.124 50 0 FDAAMO C[NH2+]CC(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cc21 ZINC000952850578 960147349 /nfs/dbraw/zinc/14/73/49/960147349.db2.gz ZMJGLUBHMDPBBT-OAHLLOKOSA-N 1 1 367.453 1.967 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NCC1CCN(C(=O)[C@]2(C)CC(C)=NO2)CC1 ZINC000952872722 960221171 /nfs/dbraw/zinc/22/11/71/960221171.db2.gz SOWYYJTZLRYWKH-SFHVURJKSA-N 1 1 361.446 1.101 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1F ZINC000952971308 960264705 /nfs/dbraw/zinc/26/47/05/960264705.db2.gz NHQAUALNSDDQIX-CQSZACIVSA-N 1 1 374.478 1.548 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc1F ZINC000952971308 960264713 /nfs/dbraw/zinc/26/47/13/960264713.db2.gz NHQAUALNSDDQIX-CQSZACIVSA-N 1 1 374.478 1.548 50 0 FDAAMO COc1ncccc1CN[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000952981206 960294415 /nfs/dbraw/zinc/29/44/15/960294415.db2.gz GWFJZCCIRQWKKU-JGBTYHIZSA-N 1 1 364.493 1.747 50 0 FDAAMO COc1ncccc1CN[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000952981206 960294422 /nfs/dbraw/zinc/29/44/22/960294422.db2.gz GWFJZCCIRQWKKU-JGBTYHIZSA-N 1 1 364.493 1.747 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000952987995 960310943 /nfs/dbraw/zinc/31/09/43/960310943.db2.gz MVVARVUZWBOSJL-INIZCTEOSA-N 1 1 358.479 1.847 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000952987995 960310944 /nfs/dbraw/zinc/31/09/44/960310944.db2.gz MVVARVUZWBOSJL-INIZCTEOSA-N 1 1 358.479 1.847 50 0 FDAAMO Cc1cccc(-n2cc(CN3CC[N@H+](C)[C@]4(C3)CCNC(=O)CC4)cn2)c1 ZINC000092065673 1007045948 /nfs/dbraw/zinc/04/59/48/1007045948.db2.gz LDCWYSBGLNMRQT-NRFANRHFSA-N 1 1 367.497 1.967 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000263715799 530053625 /nfs/dbraw/zinc/05/36/25/530053625.db2.gz BKRKDIGSXMAFML-UHFFFAOYSA-N 1 1 364.921 1.622 50 0 FDAAMO CCOc1cc(C(=O)NN2CC[NH+](C)CC2)cc(OCC)c1OCC ZINC000005006117 219638511 /nfs/dbraw/zinc/63/85/11/219638511.db2.gz DGVPLORNKJXQCC-UHFFFAOYSA-N 1 1 351.447 1.775 50 0 FDAAMO C[NH+]1CCN(C2(CNC(=O)N[C@@H](CO)c3ccccc3)CCCC2)CC1 ZINC000534584485 540385486 /nfs/dbraw/zinc/38/54/86/540385486.db2.gz VVIKZIULTPHHTN-SFHVURJKSA-N 1 1 360.502 1.579 50 0 FDAAMO CNc1nccnc1-c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000534591946 540386980 /nfs/dbraw/zinc/38/69/80/540386980.db2.gz YSWDNZZNMXMIAI-UHFFFAOYSA-N 1 1 355.442 1.637 50 0 FDAAMO C[C@H](CCNC(=O)c1cccc(-c2nccc(N)n2)c1)N1CC[NH+](C)CC1 ZINC000534592208 540387623 /nfs/dbraw/zinc/38/76/23/540387623.db2.gz AFFUYMUANSXTAZ-OAHLLOKOSA-N 1 1 368.485 1.482 50 0 FDAAMO Cc1cc(NC(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)n(C2CCCC2)n1 ZINC000299794970 223100401 /nfs/dbraw/zinc/10/04/01/223100401.db2.gz JINIRKXKSXXYIJ-CQSZACIVSA-N 1 1 362.478 1.625 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012580294 220009134 /nfs/dbraw/zinc/00/91/34/220009134.db2.gz YVZSPIWRSFEAJP-CQSZACIVSA-N 1 1 356.430 1.492 50 0 FDAAMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(c2nccs2)CC1 ZINC000012760218 220025971 /nfs/dbraw/zinc/02/59/71/220025971.db2.gz NRUYPUVTMGSJST-INIZCTEOSA-N 1 1 363.483 1.851 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2OC)C1 ZINC000013135948 220060060 /nfs/dbraw/zinc/06/00/60/220060060.db2.gz GJUIMXNTZLFGBV-DOTOQJQBSA-N 1 1 351.443 1.848 50 0 FDAAMO COC(=O)Cc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000013497356 220071003 /nfs/dbraw/zinc/07/10/03/220071003.db2.gz BJVRSSMVVNKXMG-UHFFFAOYSA-N 1 1 351.472 1.411 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000013625593 220079230 /nfs/dbraw/zinc/07/92/30/220079230.db2.gz NZYXEJQFJCVIAO-GFCCVEGCSA-N 1 1 367.471 1.691 50 0 FDAAMO CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H]([N@@H+](C)CCOC)C2 ZINC000014746466 220132772 /nfs/dbraw/zinc/13/27/72/220132772.db2.gz SWKKNJZUFYCBMB-MRXNPFEDSA-N 1 1 371.485 1.664 50 0 FDAAMO NS(=O)(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000018174949 220226570 /nfs/dbraw/zinc/22/65/70/220226570.db2.gz VJPQXXSBUBPQDB-UHFFFAOYSA-N 1 1 374.466 1.684 50 0 FDAAMO CC(C)Cn1c(CN(C)C[C@H]2CCCC[N@@H+]2C)cnc1S(C)(=O)=O ZINC000019641348 220280161 /nfs/dbraw/zinc/28/01/61/220280161.db2.gz AFGYEEFSQNDVRF-OAHLLOKOSA-N 1 1 356.536 1.859 50 0 FDAAMO CC(C)Cn1c(CN(C)C[C@H]2CCCC[N@H+]2C)cnc1S(C)(=O)=O ZINC000019641348 220280162 /nfs/dbraw/zinc/28/01/62/220280162.db2.gz AFGYEEFSQNDVRF-OAHLLOKOSA-N 1 1 356.536 1.859 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000019902769 220303127 /nfs/dbraw/zinc/30/31/27/220303127.db2.gz GPZMYILWMOXBCY-INIZCTEOSA-N 1 1 351.472 1.004 50 0 FDAAMO C[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)CC1 ZINC000019973707 220309012 /nfs/dbraw/zinc/30/90/12/220309012.db2.gz AVJARJUQVVWHPO-UHFFFAOYSA-N 1 1 362.433 1.838 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3Cl)C[C@H]2O)CC1 ZINC000020254798 220320020 /nfs/dbraw/zinc/32/00/20/220320020.db2.gz NIJDCSBVUKBCOX-HUUCEWRRSA-N 1 1 355.841 1.302 50 0 FDAAMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc1 ZINC000020367254 220323534 /nfs/dbraw/zinc/32/35/34/220323534.db2.gz OJQIUWYNQCJZMA-UHFFFAOYSA-N 1 1 366.465 1.850 50 0 FDAAMO C[NH+]1CCN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 ZINC000020500109 220328923 /nfs/dbraw/zinc/32/89/23/220328923.db2.gz SXJABBXKQUSEMC-UHFFFAOYSA-N 1 1 356.209 1.363 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000021058676 220350899 /nfs/dbraw/zinc/35/08/99/220350899.db2.gz JVPFZDZYPCOWJS-GASCZTMLSA-N 1 1 357.458 1.885 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@H](C)O1 ZINC000021058676 220350902 /nfs/dbraw/zinc/35/09/02/220350902.db2.gz JVPFZDZYPCOWJS-GASCZTMLSA-N 1 1 357.458 1.885 50 0 FDAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000021578881 220360472 /nfs/dbraw/zinc/36/04/72/220360472.db2.gz BQROUSBBHRMLRG-UHFFFAOYSA-N 1 1 360.458 1.304 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000021822179 220368935 /nfs/dbraw/zinc/36/89/35/220368935.db2.gz ZKBIIRWYLCEGBU-UHFFFAOYSA-N 1 1 367.449 1.849 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)CC[N@@H+](C)[C@H]1CCN(C)C1)CC2 ZINC000299772033 533166154 /nfs/dbraw/zinc/16/61/54/533166154.db2.gz YAOZDGSNZTXYTD-KRWDZBQOSA-N 1 1 361.486 1.615 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)CCN(C)[C@H]1CC[N@H+](C)C1)CC2 ZINC000299772033 533166160 /nfs/dbraw/zinc/16/61/60/533166160.db2.gz YAOZDGSNZTXYTD-KRWDZBQOSA-N 1 1 361.486 1.615 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)CCN(C)[C@H]1CC[N@@H+](C)C1)CC2 ZINC000299772033 533166168 /nfs/dbraw/zinc/16/61/68/533166168.db2.gz YAOZDGSNZTXYTD-KRWDZBQOSA-N 1 1 361.486 1.615 50 0 FDAAMO CC[C@@H](C(=O)NCCC[NH+]1CCOCC1)N1c2ccccc2CCCC1=O ZINC000033249707 220721633 /nfs/dbraw/zinc/72/16/33/220721633.db2.gz BKZBKSWGVARZCQ-SFHVURJKSA-N 1 1 373.497 1.973 50 0 FDAAMO COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)[NH+](C)C ZINC000040087919 220878602 /nfs/dbraw/zinc/87/86/02/220878602.db2.gz VGKCRFOMRDIZLK-WBVHZDCISA-N 1 1 361.486 1.919 50 0 FDAAMO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052834096 221040179 /nfs/dbraw/zinc/04/01/79/221040179.db2.gz FZRUDTNLTIYVRW-GOSISDBHSA-N 1 1 363.417 1.846 50 0 FDAAMO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000052834096 221040181 /nfs/dbraw/zinc/04/01/81/221040181.db2.gz FZRUDTNLTIYVRW-GOSISDBHSA-N 1 1 363.417 1.846 50 0 FDAAMO Cc1ccccc1[C@@H]1C(C(=O)N2CC[NH+](C)CC2)=C(C)Nc2ncnn21 ZINC000054672246 221055329 /nfs/dbraw/zinc/05/53/29/221055329.db2.gz JJSWZHLZMXQFDF-QGZVFWFLSA-N 1 1 352.442 1.649 50 0 FDAAMO CCN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000055369729 221067018 /nfs/dbraw/zinc/06/70/18/221067018.db2.gz KMQZNIPIYVJDNS-CQSZACIVSA-N 1 1 353.488 1.365 50 0 FDAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CN3CCCCCC3=O)c2)CCO1 ZINC000063113150 221142445 /nfs/dbraw/zinc/14/24/45/221142445.db2.gz VSZQTNACXYPPRT-KRWDZBQOSA-N 1 1 373.497 1.926 50 0 FDAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CN3CCCCCC3=O)c2)CCO1 ZINC000063113150 221142448 /nfs/dbraw/zinc/14/24/48/221142448.db2.gz VSZQTNACXYPPRT-KRWDZBQOSA-N 1 1 373.497 1.926 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@@H+](C/C=C/c1ccco1)CC2)[C@H]1CCOC1 ZINC000064031706 221145049 /nfs/dbraw/zinc/14/50/49/221145049.db2.gz ZMWXJGHBVGVRKV-KZTTYJGESA-N 1 1 371.441 1.095 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](C/C=C/c1ccco1)CC2)[C@H]1CCOC1 ZINC000064031706 221145053 /nfs/dbraw/zinc/14/50/53/221145053.db2.gz ZMWXJGHBVGVRKV-KZTTYJGESA-N 1 1 371.441 1.095 50 0 FDAAMO CCn1c2c(C(=O)NC3CCCCCC3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836005 221152688 /nfs/dbraw/zinc/15/26/88/221152688.db2.gz HTKAEPYOSQKWEC-UHFFFAOYSA-N 1 1 371.485 1.956 50 0 FDAAMO Cn1c2c(C(=O)NC3CCCCCC3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836193 221152821 /nfs/dbraw/zinc/15/28/21/221152821.db2.gz LBEJKXVDBFFSLK-UHFFFAOYSA-N 1 1 357.458 1.474 50 0 FDAAMO CN(Cc1nnc(-c2ccccc2)o1)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000065373765 221205523 /nfs/dbraw/zinc/20/55/23/221205523.db2.gz ZNIKJQGLONCLAX-AWEZNQCLSA-N 1 1 352.398 1.734 50 0 FDAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(OC)n1 ZINC000065385062 221208131 /nfs/dbraw/zinc/20/81/31/221208131.db2.gz KTIRBUMJSOQQHI-HNNXBMFYSA-N 1 1 357.410 1.918 50 0 FDAAMO Cc1ccsc1[C@@H]1CCN(C(=O)CCC[NH+]2CCOCC2)C[C@H]1O ZINC000065434054 221219089 /nfs/dbraw/zinc/21/90/89/221219089.db2.gz BDHQCFDTXPUJAW-HZPDHXFCSA-N 1 1 352.500 1.846 50 0 FDAAMO Cc1nc(C[N@H+]2CCc3nc(N(C)C)[nH]c(=O)c3CC2)c2ccccn12 ZINC000065454014 221220708 /nfs/dbraw/zinc/22/07/08/221220708.db2.gz WSPVOWVUEQOJPA-UHFFFAOYSA-N 1 1 352.442 1.393 50 0 FDAAMO Cc1[nH+]c(CN2CCc3nc(N(C)C)[nH]c(=O)c3CC2)c2ccccn12 ZINC000065454014 221220711 /nfs/dbraw/zinc/22/07/11/221220711.db2.gz WSPVOWVUEQOJPA-UHFFFAOYSA-N 1 1 352.442 1.393 50 0 FDAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000065674653 221235812 /nfs/dbraw/zinc/23/58/12/221235812.db2.gz WPNCGDFVJWXLAN-ZIAGYGMSSA-N 1 1 358.490 1.910 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCNC(=O)CC3)nc2)C1 ZINC000067490466 221257829 /nfs/dbraw/zinc/25/78/29/221257829.db2.gz ZRCAFRZABJTGAB-INIZCTEOSA-N 1 1 373.501 1.116 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067726788 221277790 /nfs/dbraw/zinc/27/77/90/221277790.db2.gz WLMWYILSBPPNRL-HNNXBMFYSA-N 1 1 364.490 1.578 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)CC[C@H](C)N1CC[NH+](C)CC1)C2 ZINC000067673106 221267653 /nfs/dbraw/zinc/26/76/53/221267653.db2.gz LFTBZWSVIGWPPT-INIZCTEOSA-N 1 1 359.518 1.933 50 0 FDAAMO COc1cccc(O[C@@H](C)C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067676259 221269036 /nfs/dbraw/zinc/26/90/36/221269036.db2.gz IACPKWDCNNTIOV-INIZCTEOSA-N 1 1 361.486 1.701 50 0 FDAAMO COc1cccc(O[C@@H](C)C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)c1 ZINC000067676259 221269039 /nfs/dbraw/zinc/26/90/39/221269039.db2.gz IACPKWDCNNTIOV-INIZCTEOSA-N 1 1 361.486 1.701 50 0 FDAAMO COc1cccc(O[C@@H](C)C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)c1 ZINC000067676259 221269040 /nfs/dbraw/zinc/26/90/40/221269040.db2.gz IACPKWDCNNTIOV-INIZCTEOSA-N 1 1 361.486 1.701 50 0 FDAAMO C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)NC[C@H]2COCCO2)no1 ZINC000067756524 221282016 /nfs/dbraw/zinc/28/20/16/221282016.db2.gz GXJRKMUOKMHWSU-KRWDZBQOSA-N 1 1 359.426 1.494 50 0 FDAAMO CC[NH+]1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067834441 221292836 /nfs/dbraw/zinc/29/28/36/221292836.db2.gz MTCQAVKWWPJFKJ-NRFANRHFSA-N 1 1 359.514 1.610 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000067867576 221296877 /nfs/dbraw/zinc/29/68/77/221296877.db2.gz QLQRZZNATGADKW-UHFFFAOYSA-N 1 1 360.414 1.234 50 0 FDAAMO CC[C@H]1CN(C(=O)c2cc(CN3CCC(O)CC3)on2)CC[N@H+]1C(C)C ZINC000067872891 221299295 /nfs/dbraw/zinc/29/92/95/221299295.db2.gz CYHAIWPUWOQSBX-HNNXBMFYSA-N 1 1 364.490 1.576 50 0 FDAAMO O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000067879387 221299396 /nfs/dbraw/zinc/29/93/96/221299396.db2.gz BBOLJJNHYUZUJH-ZDUSSCGKSA-N 1 1 371.393 1.903 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)CN1CCc3ccccc3C1)CCC[N@H+]2C ZINC000067982522 221312189 /nfs/dbraw/zinc/31/21/89/221312189.db2.gz QNANGVSNWMZITB-UHFFFAOYSA-N 1 1 370.541 1.673 50 0 FDAAMO CN1CCCN(C(=O)CN2CCc3ccccc3C2)CC12CC[NH+](C)CC2 ZINC000067982522 221312190 /nfs/dbraw/zinc/31/21/90/221312190.db2.gz QNANGVSNWMZITB-UHFFFAOYSA-N 1 1 370.541 1.673 50 0 FDAAMO CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071575314 221352986 /nfs/dbraw/zinc/35/29/86/221352986.db2.gz GFKOPTWIIMXOMU-MRXNPFEDSA-N 1 1 358.486 1.811 50 0 FDAAMO CC(C)(CO)NC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479542 221350828 /nfs/dbraw/zinc/35/08/28/221350828.db2.gz SXDJZJDDUFQEHY-GOSISDBHSA-N 1 1 374.529 1.645 50 0 FDAAMO Cc1cc(CC(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)on1 ZINC000071748942 221360721 /nfs/dbraw/zinc/36/07/21/221360721.db2.gz ZKJITLWQYBXUST-OAHLLOKOSA-N 1 1 374.485 1.507 50 0 FDAAMO O=C(NCCn1ccnc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071751824 221363727 /nfs/dbraw/zinc/36/37/27/221363727.db2.gz XWDKOZYZZRYYBH-QGZVFWFLSA-N 1 1 373.501 1.112 50 0 FDAAMO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CCO)C3)c1C ZINC000071890361 221385846 /nfs/dbraw/zinc/38/58/46/221385846.db2.gz RERAVYWCUNHRRM-ZDUSSCGKSA-N 1 1 357.458 1.454 50 0 FDAAMO O=C(c1cnc(N2CCOCC2)nc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000082106858 132194863 /nfs/dbraw/zinc/19/48/63/132194863.db2.gz SZRUJTRXNBCNQW-UHFFFAOYSA-N 1 1 359.474 1.404 50 0 FDAAMO C[C@H](C(=O)N1CCN(c2cnccn2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000095356926 132207534 /nfs/dbraw/zinc/20/75/34/132207534.db2.gz NZXHMZWGKGAFBU-MRXNPFEDSA-N 1 1 351.454 1.572 50 0 FDAAMO CNc1ccnc(N2CCC[C@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)n1 ZINC000095371391 132208642 /nfs/dbraw/zinc/20/86/42/132208642.db2.gz XKLNWQKCWKNUSR-AWEZNQCLSA-N 1 1 367.461 1.584 50 0 FDAAMO O[C@H]1CCCN(c2ccnc(N3CCC[N@@H+](Cc4cccnc4)CC3)n2)C1 ZINC000095529344 132215010 /nfs/dbraw/zinc/21/50/10/132215010.db2.gz PSNUUCYRIPMFTB-SFHVURJKSA-N 1 1 368.485 1.545 50 0 FDAAMO CCCn1cnnc1C[NH2+]C1CCN(c2cc(C)nc(N(C)C)n2)CC1 ZINC000095527984 132215025 /nfs/dbraw/zinc/21/50/25/132215025.db2.gz MKSQCTGINTXVBY-UHFFFAOYSA-N 1 1 358.494 1.611 50 0 FDAAMO O=C(c1ccnc(N2CC[NH+](CCn3cncn3)CC2)c1)N1CCCCC1 ZINC000096131820 132219876 /nfs/dbraw/zinc/21/98/76/132219876.db2.gz JZYYRESDAYNGIM-UHFFFAOYSA-N 1 1 369.473 1.121 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(c3ccnc(N)n3)C[C@H]2CCO)c(C)c1C ZINC000106970624 132266178 /nfs/dbraw/zinc/26/61/78/132266178.db2.gz LARHHVBFZCDDOX-QGZVFWFLSA-N 1 1 371.485 1.757 50 0 FDAAMO Cn1c(C[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)cc2cc(F)ccc21 ZINC000215512524 132270182 /nfs/dbraw/zinc/27/01/82/132270182.db2.gz QHHPOSVLHZXRQE-UHFFFAOYSA-N 1 1 355.417 1.733 50 0 FDAAMO O[C@@H](c1ccccn1)C1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000215620634 132270363 /nfs/dbraw/zinc/27/03/63/132270363.db2.gz YSDNODLJHUXECE-LJQANCHMSA-N 1 1 369.469 1.654 50 0 FDAAMO COc1cc(C[NH+]2CCN(c3cccnc3)CC2)ccc1OCC(N)=O ZINC000216174234 132271123 /nfs/dbraw/zinc/27/11/23/132271123.db2.gz XTKKCZGWFPCQIA-UHFFFAOYSA-N 1 1 356.426 1.277 50 0 FDAAMO Cn1c(CNCCCN2CCCc3ccccc32)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244874823 132291702 /nfs/dbraw/zinc/29/17/02/132291702.db2.gz XHTFXGMZNXCLKM-CALCHBBNSA-N 1 1 354.502 1.952 50 0 FDAAMO O=C1[C@H]2CCCN2C(=O)N1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000053244627 136124810 /nfs/dbraw/zinc/12/48/10/136124810.db2.gz IEMQJEHAINMHAJ-MRXNPFEDSA-N 1 1 362.861 1.889 50 0 FDAAMO CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2F)CC1 ZINC000058225229 136131151 /nfs/dbraw/zinc/13/11/51/136131151.db2.gz NOUUYZTVAOIIAN-UHFFFAOYSA-N 1 1 362.449 1.305 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3ncc(F)cn3)CC2)C1 ZINC000071524638 136139530 /nfs/dbraw/zinc/13/95/30/136139530.db2.gz GYJVTLHCQKVRKI-CQSZACIVSA-N 1 1 365.453 1.059 50 0 FDAAMO CNc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071738851 136139770 /nfs/dbraw/zinc/13/97/70/136139770.db2.gz RNJIGPXCGZMPLW-MRXNPFEDSA-N 1 1 372.517 1.822 50 0 FDAAMO O=C(NC1CC1)C1CC[NH+](C2CCN(c3ncnc4[nH]cnc43)CC2)CC1 ZINC000071763301 136140794 /nfs/dbraw/zinc/14/07/94/136140794.db2.gz RIRVFQYCZRNNHO-UHFFFAOYSA-N 1 1 369.473 1.312 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC[NH2+]1 ZINC000072173939 136143611 /nfs/dbraw/zinc/14/36/11/136143611.db2.gz GJUYFGPWFFWHGY-ZDUSSCGKSA-N 1 1 369.391 1.431 50 0 FDAAMO NC(=O)c1cc2c(nc1N1CC[N@@H+](C3CCCC3)[C@H](CCO)C1)CCC2 ZINC000072419295 136145911 /nfs/dbraw/zinc/14/59/11/136145911.db2.gz KPRBZVUSWXDADH-MRXNPFEDSA-N 1 1 358.486 1.485 50 0 FDAAMO Cc1nc(C)c(C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 ZINC000159231065 173670028 /nfs/dbraw/zinc/67/00/28/173670028.db2.gz JMXSJUJTMFHHLC-UHFFFAOYSA-N 1 1 366.512 1.730 50 0 FDAAMO CCn1nccc1N1CCC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1=O ZINC000189970650 258388150 /nfs/dbraw/zinc/38/81/50/258388150.db2.gz UBGRPUXPLITSOJ-OAHLLOKOSA-N 1 1 372.473 1.925 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000096116451 222031053 /nfs/dbraw/zinc/03/10/53/222031053.db2.gz GKAFSDCRZWLIML-CJNGLKHVSA-N 1 1 358.442 1.118 50 0 biogenic FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)C3CCOCC3)CC2)n1C ZINC000096132164 222038353 /nfs/dbraw/zinc/03/83/53/222038353.db2.gz CAIHDTJSBBFSAB-UHFFFAOYSA-N 1 1 372.473 1.501 50 0 FDAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)CN1C(=O)CNC1=O)CC2 ZINC000096138396 222042581 /nfs/dbraw/zinc/04/25/81/222042581.db2.gz NWSHYEWCNPWEAS-MRXNPFEDSA-N 1 1 370.453 1.019 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)ncn3C)C[N@@H+]1C ZINC000096140317 222044448 /nfs/dbraw/zinc/04/44/48/222044448.db2.gz VOGTYHQMFQETNU-YOEHRIQHSA-N 1 1 357.458 1.244 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)ncn3C)C[N@H+]1C ZINC000096140317 222044452 /nfs/dbraw/zinc/04/44/52/222044452.db2.gz VOGTYHQMFQETNU-YOEHRIQHSA-N 1 1 357.458 1.244 50 0 FDAAMO NC(=O)Cc1nc(C[NH+]2CCCCCC2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000096153007 222054679 /nfs/dbraw/zinc/05/46/79/222054679.db2.gz PEZBQVGJQIUZJI-UHFFFAOYSA-N 1 1 371.441 1.442 50 0 FDAAMO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccn[nH]2)CC1 ZINC000096153736 222054947 /nfs/dbraw/zinc/05/49/47/222054947.db2.gz HYKTZCMJRVGYRU-MRXNPFEDSA-N 1 1 350.463 1.389 50 0 FDAAMO CN1CC[N@H+](C)C[C@H]1Cc1nc(Cc2cccc(Cl)c2)nn1CCO ZINC000096160913 222060287 /nfs/dbraw/zinc/06/02/87/222060287.db2.gz CNVWSLFCPLVAQA-MRXNPFEDSA-N 1 1 363.893 1.303 50 0 FDAAMO CN1CC[N@@H+](C)C[C@H]1Cc1nc(Cc2cccc(Cl)c2)nn1CCO ZINC000096160913 222060289 /nfs/dbraw/zinc/06/02/89/222060289.db2.gz CNVWSLFCPLVAQA-MRXNPFEDSA-N 1 1 363.893 1.303 50 0 FDAAMO Cc1[nH+]ccn1Cc1nc(-c2ccncc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000096163706 222063382 /nfs/dbraw/zinc/06/33/82/222063382.db2.gz DFTWHIIRWHXTNY-AWEZNQCLSA-N 1 1 358.427 1.253 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ccc(O)cc3)c2)C1 ZINC000097098904 222157796 /nfs/dbraw/zinc/15/77/96/222157796.db2.gz IIRKCGMXMOPSRL-GOSISDBHSA-N 1 1 367.449 1.986 50 0 FDAAMO O=S1(=O)CCN(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000097094648 222158635 /nfs/dbraw/zinc/15/86/35/222158635.db2.gz HNQWOAZHOQCZFC-UHFFFAOYSA-N 1 1 374.510 1.567 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](CCO)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097773270 222211426 /nfs/dbraw/zinc/21/14/26/222211426.db2.gz KOYDBOHDCBOWPR-BTZGUFSASA-N 1 1 357.498 1.548 50 0 FDAAMO Cc1nc2ccccc2nc1CN1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000097785265 222213386 /nfs/dbraw/zinc/21/33/86/222213386.db2.gz KFIKLXZSYXXXMX-UHFFFAOYSA-N 1 1 353.470 1.725 50 0 FDAAMO Cc1nc2ccccc2nc1C[NH+]1CCC2(CC1)C(=O)NCCCN2C ZINC000097785265 222213388 /nfs/dbraw/zinc/21/33/88/222213388.db2.gz KFIKLXZSYXXXMX-UHFFFAOYSA-N 1 1 353.470 1.725 50 0 FDAAMO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000107352315 222394517 /nfs/dbraw/zinc/39/45/17/222394517.db2.gz PISRKMPQJXCHMX-AAEUAGOBSA-N 1 1 357.501 1.241 50 0 FDAAMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3c(C)nn(C(F)F)c3C)[C@H]2C1 ZINC000329534178 259100288 /nfs/dbraw/zinc/10/02/88/259100288.db2.gz KRLGHHYCQMYTAZ-LSDHHAIUSA-N 1 1 356.417 1.759 50 0 FDAAMO CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329991208 259121056 /nfs/dbraw/zinc/12/10/56/259121056.db2.gz JSZNADXZQVLSCX-OAHLLOKOSA-N 1 1 358.442 1.890 50 0 FDAAMO C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332048012 259237373 /nfs/dbraw/zinc/23/73/73/259237373.db2.gz LEOJOKCWBGXYBX-HZPDHXFCSA-N 1 1 361.490 1.787 50 0 FDAAMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000368009528 260122672 /nfs/dbraw/zinc/12/26/72/260122672.db2.gz XBKMJCUFJKUNOV-CQSZACIVSA-N 1 1 373.425 1.115 50 0 FDAAMO C[N@H+]1CCC[C@H]1CCNC(=O)NCCNC(=O)c1ccccc1Cl ZINC000426512395 263615783 /nfs/dbraw/zinc/61/57/83/263615783.db2.gz YXLTTWVMLKZPPQ-ZDUSSCGKSA-N 1 1 352.866 1.853 50 0 FDAAMO C(Nc1nc2nonc2nc1NC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000020271574 518399992 /nfs/dbraw/zinc/39/99/92/518399992.db2.gz WOMIBOSKKAIWAC-UHFFFAOYSA-N 1 1 359.434 1.644 50 0 FDAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(N1)c1cc3c(cc1NC2=O)OCCO3 ZINC000007718731 518432932 /nfs/dbraw/zinc/43/29/32/518432932.db2.gz BVJZLTSZLDSBFC-SFHVURJKSA-N 1 1 362.349 1.010 50 0 FDAAMO Cc1ccccc1S(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000009874991 518518424 /nfs/dbraw/zinc/51/84/24/518518424.db2.gz WKDMASKQOSJOTK-UHFFFAOYSA-N 1 1 365.499 1.490 50 0 FDAAMO C[N@@H+](C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCOCC1 ZINC000011878344 518576335 /nfs/dbraw/zinc/57/63/35/518576335.db2.gz OWGGAOIHQXOZKA-IBGZPJMESA-N 1 1 350.434 1.790 50 0 FDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)[NH+](C)C ZINC000011898947 518577356 /nfs/dbraw/zinc/57/73/56/518577356.db2.gz SPOZINJANYZBJN-HNNXBMFYSA-N 1 1 350.369 1.661 50 0 FDAAMO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)[NH+](C)C)c(OC)c1 ZINC000011898923 518577489 /nfs/dbraw/zinc/57/74/89/518577489.db2.gz FLPIYNDPHZNCEY-MRXNPFEDSA-N 1 1 374.441 1.400 50 0 FDAAMO CCc1cc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)on1 ZINC000012073083 518585913 /nfs/dbraw/zinc/58/59/13/518585913.db2.gz DBTQAIAEIOBNML-QGZVFWFLSA-N 1 1 362.474 1.624 50 0 FDAAMO Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000012303445 518602278 /nfs/dbraw/zinc/60/22/78/518602278.db2.gz KXGWIWVDBZVCBP-KRWDZBQOSA-N 1 1 361.534 1.834 50 0 FDAAMO CCN(Cc1nccn1C)C(=O)c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000012317874 518603146 /nfs/dbraw/zinc/60/31/46/518603146.db2.gz MRRZTBRDDHJMGS-QGZVFWFLSA-N 1 1 368.485 1.762 50 0 FDAAMO CC1(C)C(=O)NCC[N@H+]1C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012315088 518603605 /nfs/dbraw/zinc/60/36/05/518603605.db2.gz SUMLIQVYHORERL-LJQANCHMSA-N 1 1 351.491 1.131 50 0 FDAAMO CC1(C)C(=O)NCC[N@@H+]1C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012315088 518603610 /nfs/dbraw/zinc/60/36/10/518603610.db2.gz SUMLIQVYHORERL-LJQANCHMSA-N 1 1 351.491 1.131 50 0 FDAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCCO)nn3)C2)c1 ZINC000012338029 518606431 /nfs/dbraw/zinc/60/64/31/518606431.db2.gz BITFPUFTJLJPFF-SFHVURJKSA-N 1 1 371.485 1.844 50 0 FDAAMO CC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000012442761 518614211 /nfs/dbraw/zinc/61/42/11/518614211.db2.gz BWWGCRBPLSOXSS-SFHVURJKSA-N 1 1 373.497 1.943 50 0 FDAAMO CC(=O)c1ccc(OCC(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000012442761 518614218 /nfs/dbraw/zinc/61/42/18/518614218.db2.gz BWWGCRBPLSOXSS-SFHVURJKSA-N 1 1 373.497 1.943 50 0 FDAAMO COc1ccc(C[N@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000012896822 518640342 /nfs/dbraw/zinc/64/03/42/518640342.db2.gz JIXZMNSJMXWJTB-SFHVURJKSA-N 1 1 369.421 1.407 50 0 FDAAMO COc1ccc(C[N@@H+](C)CC(=O)N2C[C@@H](C(N)=O)Oc3ccccc32)cc1 ZINC000012896822 518640347 /nfs/dbraw/zinc/64/03/47/518640347.db2.gz JIXZMNSJMXWJTB-SFHVURJKSA-N 1 1 369.421 1.407 50 0 FDAAMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC1 ZINC000019891831 518840103 /nfs/dbraw/zinc/84/01/03/518840103.db2.gz UDGSGDOZDCMZDG-UHFFFAOYSA-N 1 1 353.470 1.131 50 0 FDAAMO OCC[NH+]1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000020662180 518855740 /nfs/dbraw/zinc/85/57/40/518855740.db2.gz JDRIOUXMTRJMSK-UHFFFAOYSA-N 1 1 358.833 1.583 50 0 FDAAMO COc1cccc(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)c1OC ZINC000022241618 518896148 /nfs/dbraw/zinc/89/61/48/518896148.db2.gz VVPOWOMLMWNWGC-UHFFFAOYSA-N 1 1 363.502 1.984 50 0 FDAAMO Cc1cccc2sc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)nc21 ZINC000023105370 518928972 /nfs/dbraw/zinc/92/89/72/518928972.db2.gz GOJFMAKUMRHKRD-UHFFFAOYSA-N 1 1 362.455 1.382 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1 ZINC000023639121 518959497 /nfs/dbraw/zinc/95/94/97/518959497.db2.gz CFNUHQZPAQGVRJ-UHFFFAOYSA-N 1 1 365.477 1.998 50 0 FDAAMO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CC(=O)NC(N)=O)OCCO3 ZINC000024992671 519028346 /nfs/dbraw/zinc/02/83/46/519028346.db2.gz IMEIOEBPJSNFHY-GFCCVEGCSA-N 1 1 359.426 1.841 50 0 FDAAMO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CC(=O)NC(N)=O)OCCO3 ZINC000024992671 519028352 /nfs/dbraw/zinc/02/83/52/519028352.db2.gz IMEIOEBPJSNFHY-GFCCVEGCSA-N 1 1 359.426 1.841 50 0 FDAAMO NC(=O)COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000025664815 519076017 /nfs/dbraw/zinc/07/60/17/519076017.db2.gz BFILCSPRQYWOKH-UHFFFAOYSA-N 1 1 353.422 1.509 50 0 FDAAMO CC(C)[C@@H](C)[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC1 ZINC000026670641 519132655 /nfs/dbraw/zinc/13/26/55/519132655.db2.gz YEVFCXSLISYBBQ-CQSZACIVSA-N 1 1 367.515 1.502 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000027270950 519165312 /nfs/dbraw/zinc/16/53/12/519165312.db2.gz PZSAJDAVPPUMRL-CQSZACIVSA-N 1 1 351.472 1.488 50 0 FDAAMO CCOc1ccc(OCC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000029236514 519280569 /nfs/dbraw/zinc/28/05/69/519280569.db2.gz WTASSLKEKQQNTI-GOSISDBHSA-N 1 1 350.459 1.937 50 0 FDAAMO Cc1cccc(N2CC[NH+](CCNc3cnn(C)c(=O)c3Cl)CC2)c1 ZINC000029585567 519300178 /nfs/dbraw/zinc/30/01/78/519300178.db2.gz ORUHNIKAGUXLGA-UHFFFAOYSA-N 1 1 361.877 1.976 50 0 FDAAMO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 ZINC000032504638 519510467 /nfs/dbraw/zinc/51/04/67/519510467.db2.gz KURULWAFAYMPNI-UHFFFAOYSA-N 1 1 354.454 1.862 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)CN2CCSc3ccccc32)CC1 ZINC000033059134 519567399 /nfs/dbraw/zinc/56/73/99/519567399.db2.gz RAKZAQWQTACONI-UHFFFAOYSA-N 1 1 362.543 1.743 50 0 FDAAMO Cc1ccc(N2CC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2=O)cc1F ZINC000034696371 519595467 /nfs/dbraw/zinc/59/54/67/519595467.db2.gz LVDHEFKGFRKKSK-MRXNPFEDSA-N 1 1 363.433 1.326 50 0 FDAAMO CC(C)COC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036096713 519614951 /nfs/dbraw/zinc/61/49/51/519614951.db2.gz LQHAIBMNXDXKDZ-FQEVSTJZSA-N 1 1 350.503 1.854 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc2c(O)cccc12 ZINC000036354701 519619777 /nfs/dbraw/zinc/61/97/77/519619777.db2.gz RXDKHLBLTBDQKS-UHFFFAOYSA-N 1 1 357.410 1.322 50 0 FDAAMO COC(CNC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)OC ZINC000040930146 519644922 /nfs/dbraw/zinc/64/49/22/519644922.db2.gz YSDITNPNXBPBQS-UHFFFAOYSA-N 1 1 374.441 1.684 50 0 FDAAMO CC(=O)NCCC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082170733 519654610 /nfs/dbraw/zinc/65/46/10/519654610.db2.gz CZSOGPRHMKOESP-UHFFFAOYSA-N 1 1 361.490 1.564 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091625534 520225258 /nfs/dbraw/zinc/22/52/58/520225258.db2.gz JQRNXCGVQTXUCG-UHFFFAOYSA-N 1 1 358.486 1.765 50 0 FDAAMO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000091563018 521822950 /nfs/dbraw/zinc/82/29/50/521822950.db2.gz UTZUQMLNKLJSNR-GOSISDBHSA-N 1 1 355.486 1.851 50 0 FDAAMO O=C1Nc2ccccc2C12CC[NH+](Cc1cc(=O)n3ncsc3n1)CC2 ZINC000072135397 522165206 /nfs/dbraw/zinc/16/52/06/522165206.db2.gz AQVOQOQYZIOUGB-UHFFFAOYSA-N 1 1 367.434 1.637 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[N@H+]1CC[C@H](c3ccccc3)C1)C2 ZINC000072144291 522171271 /nfs/dbraw/zinc/17/12/71/522171271.db2.gz GKCCRFGCEHDLPU-INIZCTEOSA-N 1 1 352.438 1.453 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@]3(CO)CN(c4cnccn4)CC[C@@H]23)cn1 ZINC000072152850 522180442 /nfs/dbraw/zinc/18/04/42/522180442.db2.gz RPMIWXNRPGADCQ-IEBWSBKVSA-N 1 1 356.474 1.546 50 0 FDAAMO c1c[nH]c(CN2CCCn3nc(CN4CC[N@H+]5CCCC[C@@H]5C4)cc3C2)n1 ZINC000072163187 522188868 /nfs/dbraw/zinc/18/88/68/522188868.db2.gz ZOJDYKQCZMZQAH-GOSISDBHSA-N 1 1 369.517 1.682 50 0 FDAAMO CC[C@@H]1CN(Cc2cnc3c(S(C)(=O)=O)cnn3c2)CC[N@H+]1C(C)C ZINC000072167110 522194018 /nfs/dbraw/zinc/19/40/18/522194018.db2.gz YESOCKBKZLTMPY-OAHLLOKOSA-N 1 1 365.503 1.437 50 0 FDAAMO CC(C)[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000072286023 522205701 /nfs/dbraw/zinc/20/57/01/522205701.db2.gz JCBBMFPSYJKOFU-GJZGRUSLSA-N 1 1 350.463 1.528 50 0 FDAAMO Cc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)CC(C)C)cc1 ZINC000046141021 522233109 /nfs/dbraw/zinc/23/31/09/522233109.db2.gz SRGUHZNOFLATCG-UHFFFAOYSA-N 1 1 367.515 1.328 50 0 FDAAMO O=C1CCCN1CC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072418177 522248288 /nfs/dbraw/zinc/24/82/88/522248288.db2.gz WMRUCNBJULVXFK-OAQYLSRUSA-N 1 1 370.497 1.909 50 0 FDAAMO CC(C)CCN1C(=O)CC[C@H]2CN(C(=O)N3CC[NH+](C)CC3)CC[C@H]21 ZINC000072419921 522249826 /nfs/dbraw/zinc/24/98/26/522249826.db2.gz LCUKDHRVYCPYNV-DLBZAZTESA-N 1 1 350.507 1.713 50 0 FDAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1=Cc2ccccc2OC1 ZINC000058392360 522252980 /nfs/dbraw/zinc/25/29/80/522252980.db2.gz KOQOYSZXOSZETR-KRWDZBQOSA-N 1 1 357.454 1.521 50 0 FDAAMO CN(C)S(=O)(=O)N1CCCn2nc(C[N@H+]3C[C@H]4C[C@@H]3CCC4)cc2C1 ZINC000072422034 522253331 /nfs/dbraw/zinc/25/33/31/522253331.db2.gz ZNFXIEYKZTXYNS-ZBFHGGJFSA-N 1 1 367.519 1.270 50 0 FDAAMO Nc1n[nH]c(CCC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000072434224 522273061 /nfs/dbraw/zinc/27/30/61/522273061.db2.gz PFKWTMMPOUCJGG-UHFFFAOYSA-N 1 1 354.458 1.021 50 0 FDAAMO NC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072435120 522274171 /nfs/dbraw/zinc/27/41/71/522274171.db2.gz IIOFNMWSGCNPPA-GOSISDBHSA-N 1 1 358.486 1.697 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)cc(N2CCOCC2)n1 ZINC000072467781 522289354 /nfs/dbraw/zinc/28/93/54/522289354.db2.gz UIXXNTRSLRHWQL-KRWDZBQOSA-N 1 1 373.501 1.423 50 0 FDAAMO NC(=O)[C@H]1CCC[N@H+](Cc2cc3n(n2)CCCN(C(=O)N2CCCC2)C3)C1 ZINC000072476829 522299587 /nfs/dbraw/zinc/29/95/87/522299587.db2.gz FBPGFCQCAZXLCA-HNNXBMFYSA-N 1 1 374.489 1.002 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCCN(C(=O)N2CCCC2)C3)C1 ZINC000072476829 522299600 /nfs/dbraw/zinc/29/96/00/522299600.db2.gz FBPGFCQCAZXLCA-HNNXBMFYSA-N 1 1 374.489 1.002 50 0 FDAAMO O=C1CN([C@H]2C[N@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]2O)CCN1 ZINC000072480606 522305085 /nfs/dbraw/zinc/30/50/85/522305085.db2.gz PDUYVSSYDKMWLX-IRXDYDNUSA-N 1 1 357.479 1.392 50 0 FDAAMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262121 522484635 /nfs/dbraw/zinc/48/46/35/522484635.db2.gz MNERJUKJYSIZCM-LLVKDONJSA-N 1 1 367.837 1.231 50 0 FDAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262121 522484642 /nfs/dbraw/zinc/48/46/42/522484642.db2.gz MNERJUKJYSIZCM-LLVKDONJSA-N 1 1 367.837 1.231 50 0 FDAAMO COCCn1cc(C[NH+]2CCN(Cc3ccccc3F)CC2)ccc1=O ZINC000065285865 522802615 /nfs/dbraw/zinc/80/26/15/522802615.db2.gz RMBTYIFVWWCWQP-UHFFFAOYSA-N 1 1 359.445 1.952 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)c(C)c1 ZINC000077320911 523297342 /nfs/dbraw/zinc/29/73/42/523297342.db2.gz CJHXHSSDVRKNAH-RTBURBONSA-N 1 1 355.438 1.764 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 ZINC000077323841 523299082 /nfs/dbraw/zinc/29/90/82/523299082.db2.gz QABIWHKGJWYEFT-MFCZKXCZSA-N 1 1 372.469 1.230 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](CCCC(N)=O)C3)CCC2=O)cn1 ZINC000077378923 523314630 /nfs/dbraw/zinc/31/46/30/523314630.db2.gz YPMMBEZFDXHZFH-IBGZPJMESA-N 1 1 359.474 1.255 50 0 FDAAMO Cn1c(C[N@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cc2ccccc21 ZINC000077386969 523316341 /nfs/dbraw/zinc/31/63/41/523316341.db2.gz MTAIADDNOOHPBC-UYAOXDASSA-N 1 1 364.449 1.939 50 0 FDAAMO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)n1 ZINC000077438346 523336520 /nfs/dbraw/zinc/33/65/20/523336520.db2.gz YCJMPDXFCBIFPW-OAHLLOKOSA-N 1 1 356.474 1.661 50 0 FDAAMO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)n1 ZINC000077438346 523336534 /nfs/dbraw/zinc/33/65/34/523336534.db2.gz YCJMPDXFCBIFPW-OAHLLOKOSA-N 1 1 356.474 1.661 50 0 FDAAMO CNC(=O)CC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077518721 523371622 /nfs/dbraw/zinc/37/16/22/523371622.db2.gz QREAZDHFZYZFCP-FQEVSTJZSA-N 1 1 358.486 1.465 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)[C@@H](c1cccnc1)N1CCCC1)CC2 ZINC000067541047 523487405 /nfs/dbraw/zinc/48/74/05/523487405.db2.gz MRLLBPLYIMDTMO-LJQANCHMSA-N 1 1 371.529 1.457 50 0 FDAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccn1 ZINC000079493130 523758291 /nfs/dbraw/zinc/75/82/91/523758291.db2.gz QJAGZLRCCZIRPN-INIZCTEOSA-N 1 1 367.453 1.936 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](CC(=O)NCc3ccccc3)C2)C1=O ZINC000091505022 523837757 /nfs/dbraw/zinc/83/77/57/523837757.db2.gz HGUXBMDMDJOZDY-HXUWFJFHSA-N 1 1 359.470 1.264 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccc4cc[nH]c4c3)no2)CC1 ZINC000020678105 523900344 /nfs/dbraw/zinc/90/03/44/523900344.db2.gz BAJOWRRTYZWPAO-UHFFFAOYSA-N 1 1 368.441 1.585 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@@H]1CO ZINC000091620752 524061417 /nfs/dbraw/zinc/06/14/17/524061417.db2.gz FGPWLZBJANKWLP-IAGOWNOFSA-N 1 1 372.513 1.352 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@@H]1CO ZINC000091620752 524061419 /nfs/dbraw/zinc/06/14/19/524061419.db2.gz FGPWLZBJANKWLP-IAGOWNOFSA-N 1 1 372.513 1.352 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2nc3c(s2)COCC3)C1 ZINC000172259831 524184230 /nfs/dbraw/zinc/18/42/30/524184230.db2.gz VFQZQXHFWQSUEA-LBPRGKRZSA-N 1 1 354.476 1.694 50 0 FDAAMO O=C(c1cc(-c2ccccc2)on1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000082156980 524216020 /nfs/dbraw/zinc/21/60/20/524216020.db2.gz STNRRQPDPATVIH-IRXDYDNUSA-N 1 1 357.410 1.249 50 0 FDAAMO O=C(c1cc(-c2ccccc2)on1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000082156980 524216028 /nfs/dbraw/zinc/21/60/28/524216028.db2.gz STNRRQPDPATVIH-IRXDYDNUSA-N 1 1 357.410 1.249 50 0 FDAAMO O=C(Cn1ncc2ccccc2c1=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000082139073 524216520 /nfs/dbraw/zinc/21/65/20/524216520.db2.gz ZWKYLANKKVLCKY-UHFFFAOYSA-N 1 1 354.454 1.873 50 0 FDAAMO CCC[C@@H]1C[N@H+](Cc2cc(-c3ccccn3)no2)C[C@H]1NS(C)(=O)=O ZINC000082139175 524216612 /nfs/dbraw/zinc/21/66/12/524216612.db2.gz IDQGFPZSGMWPPN-CXAGYDPISA-N 1 1 364.471 1.886 50 0 FDAAMO CCC[C@@H]1C[N@@H+](Cc2cc(-c3ccccn3)no2)C[C@H]1NS(C)(=O)=O ZINC000082139175 524216622 /nfs/dbraw/zinc/21/66/22/524216622.db2.gz IDQGFPZSGMWPPN-CXAGYDPISA-N 1 1 364.471 1.886 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082137480 524216694 /nfs/dbraw/zinc/21/66/94/524216694.db2.gz LQXZKOBMKSZMOY-UHFFFAOYSA-N 1 1 362.437 1.440 50 0 FDAAMO Cc1cc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)c2cccc(C)c2n1 ZINC000082157015 524216845 /nfs/dbraw/zinc/21/68/45/524216845.db2.gz ANNNDBHFUBQHEA-OALUTQOASA-N 1 1 368.481 1.596 50 0 FDAAMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000084140050 524287484 /nfs/dbraw/zinc/28/74/84/524287484.db2.gz RIPADYREPKLJRS-OAHLLOKOSA-N 1 1 361.490 1.353 50 0 FDAAMO CC(C)c1cc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000121752504 524350682 /nfs/dbraw/zinc/35/06/82/524350682.db2.gz UZLAOXOSMVSISQ-UHFFFAOYSA-N 1 1 362.474 1.814 50 0 FDAAMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2nc(C)no2)C1 ZINC000111864330 524363604 /nfs/dbraw/zinc/36/36/04/524363604.db2.gz CRRSAQXWGSQALR-CABCVRRESA-N 1 1 351.451 1.378 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)n1 ZINC000020110010 524405714 /nfs/dbraw/zinc/40/57/14/524405714.db2.gz VWXGQNUVKREGGT-CQSZACIVSA-N 1 1 354.458 1.627 50 0 FDAAMO O=C(C[C@H]1COCC[NH2+]1)NCc1cc2n(n1)CCN(C1CCCCC1)C2 ZINC000091326597 524693617 /nfs/dbraw/zinc/69/36/17/524693617.db2.gz FXPNFFJTZFLXDV-INIZCTEOSA-N 1 1 361.490 1.026 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H]1CN1CCOCC1 ZINC000091381250 524696319 /nfs/dbraw/zinc/69/63/19/524696319.db2.gz PCWKWAFKQCFNEP-RTBURBONSA-N 1 1 356.470 1.245 50 0 FDAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1c(C)nc(C)[nH]c1=O)C2 ZINC000091390701 524699432 /nfs/dbraw/zinc/69/94/32/524699432.db2.gz LBFKKYHXSAEBMH-IAGOWNOFSA-N 1 1 358.486 1.818 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccnc1OC)CC2 ZINC000091416898 524701968 /nfs/dbraw/zinc/70/19/68/524701968.db2.gz IFMRDFWDCSKVQW-UHFFFAOYSA-N 1 1 355.442 1.823 50 0 FDAAMO COc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1=O ZINC000091444932 524704847 /nfs/dbraw/zinc/70/48/47/524704847.db2.gz RWEOZEJBMHUJDR-RHSMWYFYSA-N 1 1 368.437 1.515 50 0 FDAAMO COc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1=O ZINC000091444932 524704854 /nfs/dbraw/zinc/70/48/54/524704854.db2.gz RWEOZEJBMHUJDR-RHSMWYFYSA-N 1 1 368.437 1.515 50 0 FDAAMO O=C(c1ccccc1C(F)(F)F)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091535199 524721464 /nfs/dbraw/zinc/72/14/64/524721464.db2.gz VWPJQFDXZATHBR-ZIAGYGMSSA-N 1 1 372.387 1.718 50 0 FDAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1COC[C@@H]1N1CC[NH+](C)CC1 ZINC000091665133 524756519 /nfs/dbraw/zinc/75/65/19/524756519.db2.gz SJDMAQVKWNYQOK-ROUUACIJSA-N 1 1 356.470 1.529 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000091664755 524757923 /nfs/dbraw/zinc/75/79/23/524757923.db2.gz SJKXOYCURAYKOT-LSDHHAIUSA-N 1 1 364.515 1.813 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000091664755 524757933 /nfs/dbraw/zinc/75/79/33/524757933.db2.gz SJKXOYCURAYKOT-LSDHHAIUSA-N 1 1 364.515 1.813 50 0 FDAAMO O=C(c1c[nH]c(=O)cc1O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091707055 524763338 /nfs/dbraw/zinc/76/33/38/524763338.db2.gz VGNSJEOUQPTKEH-GOEBONIOSA-N 1 1 371.412 1.956 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@@H]1CO ZINC000091746422 524774583 /nfs/dbraw/zinc/77/45/83/524774583.db2.gz SICHEDOHVLVSCX-CHWSQXEVSA-N 1 1 373.419 1.278 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@@H]1CO ZINC000091746422 524774592 /nfs/dbraw/zinc/77/45/92/524774592.db2.gz SICHEDOHVLVSCX-CHWSQXEVSA-N 1 1 373.419 1.278 50 0 FDAAMO CC(C)[C@]1(O)CN(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@H]1C ZINC000091746514 524774898 /nfs/dbraw/zinc/77/48/98/524774898.db2.gz RXONNMNGQQSKTI-DYESRHJHSA-N 1 1 359.514 1.913 50 0 FDAAMO CCc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)on1 ZINC000091756307 524776766 /nfs/dbraw/zinc/77/67/66/524776766.db2.gz RCVMIGOAWHTBLP-INIZCTEOSA-N 1 1 374.485 1.786 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000091782158 524783980 /nfs/dbraw/zinc/78/39/80/524783980.db2.gz NOHNNJVPYFZGFL-FQEVSTJZSA-N 1 1 354.454 1.745 50 0 FDAAMO CN1CCC[N@@H+](C[C@H]2C[C@H](CO)CN(C(=O)Cc3ccccc3)C2)CC1 ZINC000091793838 524784267 /nfs/dbraw/zinc/78/42/67/524784267.db2.gz WZGVIDGJAXZCFY-UXHICEINSA-N 1 1 359.514 1.324 50 0 FDAAMO C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)Cc3ccccc3)C2)CC1 ZINC000091793838 524784279 /nfs/dbraw/zinc/78/42/79/524784279.db2.gz WZGVIDGJAXZCFY-UXHICEINSA-N 1 1 359.514 1.324 50 0 FDAAMO C[N@H+]1CCCN(C[C@H]2C[C@H](CO)CN(C(=O)Cc3ccccc3)C2)CC1 ZINC000091793838 524784286 /nfs/dbraw/zinc/78/42/86/524784286.db2.gz WZGVIDGJAXZCFY-UXHICEINSA-N 1 1 359.514 1.324 50 0 FDAAMO COCCCN1CCC[C@]2(CC[N@@H+](Cc3[nH]cc(C)c(=O)c3C)C2)C1=O ZINC000091792850 524784520 /nfs/dbraw/zinc/78/45/20/524784520.db2.gz WYMNREBITSYBDD-HXUWFJFHSA-N 1 1 361.486 1.843 50 0 FDAAMO Cc1c(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)[nH]c2c1c(C)ccc2C ZINC000091908370 524811926 /nfs/dbraw/zinc/81/19/26/524811926.db2.gz RBDGIFUIXPTKSG-IRXDYDNUSA-N 1 1 370.497 1.838 50 0 FDAAMO CCn1cc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000091950881 524817068 /nfs/dbraw/zinc/81/70/68/524817068.db2.gz KDQFWGIUYCSUQG-FQEVSTJZSA-N 1 1 359.518 1.812 50 0 FDAAMO COc1ccc(OC)c(CN(CCC[NH+]2CCOCC2)C(=O)N(C)C)c1 ZINC000020573029 524821293 /nfs/dbraw/zinc/82/12/93/524821293.db2.gz VPXXIMAOLLXTJW-UHFFFAOYSA-N 1 1 365.474 1.910 50 0 FDAAMO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c(OC)co1)CC2 ZINC000091986556 524822924 /nfs/dbraw/zinc/82/29/24/524822924.db2.gz IBDLRMGACZNSNM-UHFFFAOYSA-N 1 1 372.425 1.381 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(=O)c(OC)co1)CC2 ZINC000091986556 524822933 /nfs/dbraw/zinc/82/29/33/524822933.db2.gz IBDLRMGACZNSNM-UHFFFAOYSA-N 1 1 372.425 1.381 50 0 FDAAMO Cc1cccn2c(=O)cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C(=O)N(C)C)C4)nc12 ZINC000091997101 524826802 /nfs/dbraw/zinc/82/68/02/524826802.db2.gz ASGFRJUYJXTDPA-NVXWUHKLSA-N 1 1 369.469 1.581 50 0 FDAAMO Cc1cccn2c(=O)cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(C(=O)N(C)C)C4)nc12 ZINC000091997101 524826811 /nfs/dbraw/zinc/82/68/11/524826811.db2.gz ASGFRJUYJXTDPA-NVXWUHKLSA-N 1 1 369.469 1.581 50 0 FDAAMO COc1cccc(-c2cc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)[nH]n2)c1 ZINC000092001992 524828809 /nfs/dbraw/zinc/82/88/09/524828809.db2.gz JSCHQSUJGRFBBC-CQSZACIVSA-N 1 1 371.441 1.012 50 0 FDAAMO COc1ccc(F)c(F)c1C[N@@H+]1C[C@H](NC(=O)CCO)[C@@H](C(C)C)C1 ZINC000092065666 524837845 /nfs/dbraw/zinc/83/78/45/524837845.db2.gz VSDLZFASBHIMIG-DOMZBBRYSA-N 1 1 356.413 1.928 50 0 FDAAMO COc1ccc(F)c(F)c1C[N@H+]1C[C@H](NC(=O)CCO)[C@@H](C(C)C)C1 ZINC000092065666 524837854 /nfs/dbraw/zinc/83/78/54/524837854.db2.gz VSDLZFASBHIMIG-DOMZBBRYSA-N 1 1 356.413 1.928 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1C ZINC000095352295 525028303 /nfs/dbraw/zinc/02/83/03/525028303.db2.gz KEFQBNWVPHTRNI-INIZCTEOSA-N 1 1 365.441 1.783 50 0 FDAAMO CCN1CC[C@@]2(CN(Cc3nc(CSC)no3)CC[N@H+]2C)CCC1=O ZINC000095356130 525031299 /nfs/dbraw/zinc/03/12/99/525031299.db2.gz XOLUUYPYUWHOGU-QGZVFWFLSA-N 1 1 367.519 1.451 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)c(F)c1 ZINC000095357573 525032279 /nfs/dbraw/zinc/03/22/79/525032279.db2.gz ODUZINYZCDDHDX-RHSMWYFYSA-N 1 1 372.462 1.053 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)c(F)c1 ZINC000095357573 525032288 /nfs/dbraw/zinc/03/22/88/525032288.db2.gz ODUZINYZCDDHDX-RHSMWYFYSA-N 1 1 372.462 1.053 50 0 FDAAMO Cc1nccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)n1C ZINC000095362640 525036130 /nfs/dbraw/zinc/03/61/30/525036130.db2.gz HHEUWDBVMUASCR-INIZCTEOSA-N 1 1 368.489 1.790 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095366984 525042317 /nfs/dbraw/zinc/04/23/17/525042317.db2.gz RWYYAJJDWDYIAQ-DLBZAZTESA-N 1 1 355.504 1.418 50 0 FDAAMO Cn1ccnc1SCCNC(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095374564 525047315 /nfs/dbraw/zinc/04/73/15/525047315.db2.gz BLIQXXVIPRJJAI-CQSZACIVSA-N 1 1 352.504 1.519 50 0 FDAAMO COc1ccc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000095376622 525049375 /nfs/dbraw/zinc/04/93/75/525049375.db2.gz BERKGZNGFZXTFA-GOSISDBHSA-N 1 1 365.861 1.775 50 0 FDAAMO CCn1c(C)cc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000095390762 525061694 /nfs/dbraw/zinc/06/16/94/525061694.db2.gz QQGDREIBRYKWGJ-QZTJIDSGSA-N 1 1 362.518 1.053 50 0 FDAAMO Cc1cc(=O)c(OCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000095473702 525075674 /nfs/dbraw/zinc/07/56/74/525075674.db2.gz OMNGIUSZTAAZMV-UHFFFAOYSA-N 1 1 373.428 1.982 50 0 FDAAMO O[C@@H](COc1ccc(CN2CC(O)C2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000095504493 525088097 /nfs/dbraw/zinc/08/80/97/525088097.db2.gz JUZSCRXXDJWRJX-OAQYLSRUSA-N 1 1 368.477 1.661 50 0 FDAAMO Cc1ncc(CO)c(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c1O ZINC000095530173 525105797 /nfs/dbraw/zinc/10/57/97/525105797.db2.gz WEFNDYJOSMNURI-YLJYHZDGSA-N 1 1 356.422 1.558 50 0 FDAAMO CCOC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@H+](Cc2ccccc2)CC1 ZINC000096124714 525138106 /nfs/dbraw/zinc/13/81/06/525138106.db2.gz OHJFRCOGSJXRPG-UHFFFAOYSA-N 1 1 366.421 1.768 50 0 FDAAMO CN1CCN(C(=O)c2cc(CN3CC[NH+](C)CC3)on2)c2ccc(F)cc21 ZINC000170595095 525637006 /nfs/dbraw/zinc/63/70/06/525637006.db2.gz AYYQYEVEZGWUJI-UHFFFAOYSA-N 1 1 373.432 1.658 50 0 FDAAMO CC(C)[C@@H](C(=O)N1CCN(c2cccnn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170631756 525650334 /nfs/dbraw/zinc/65/03/34/525650334.db2.gz CMESZNRIFVGKFG-JZXOWHBKSA-N 1 1 361.490 1.259 50 0 FDAAMO CC(C)[C@@H](C(=O)N1CCN(c2cccnn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170631756 525650343 /nfs/dbraw/zinc/65/03/43/525650343.db2.gz CMESZNRIFVGKFG-JZXOWHBKSA-N 1 1 361.490 1.259 50 0 FDAAMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCCN(S(C)(=O)=O)CC2)C1 ZINC000170637841 525652285 /nfs/dbraw/zinc/65/22/85/525652285.db2.gz ZEAFWIYKFFUZDW-AWEZNQCLSA-N 1 1 361.508 1.211 50 0 FDAAMO COCCC[N@@H+](C)CCNC(=O)c1nn(-c2cccc(Cl)c2)nc1C ZINC000170639098 525652316 /nfs/dbraw/zinc/65/23/16/525652316.db2.gz FJDRCBYKSOYMEQ-UHFFFAOYSA-N 1 1 365.865 1.927 50 0 FDAAMO O[C@@H]1CCN(c2ccnc(N3CCC[N@@H+](Cc4cccc(F)c4)CC3)n2)C1 ZINC000108195826 525939323 /nfs/dbraw/zinc/93/93/23/525939323.db2.gz IEGMQQKNJMTTQI-GOSISDBHSA-N 1 1 371.460 1.899 50 0 FDAAMO Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1N1CCNC1=O ZINC000091444856 526113408 /nfs/dbraw/zinc/11/34/08/526113408.db2.gz UQMSTRNRZWHYCA-KRWDZBQOSA-N 1 1 372.469 1.461 50 0 FDAAMO Cc1nn(CCO)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091645899 526281440 /nfs/dbraw/zinc/28/14/40/526281440.db2.gz IFYMZWOXXRMABI-AZUAARDMSA-N 1 1 368.481 1.807 50 0 FDAAMO Cc1nn(CCO)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091645899 526281445 /nfs/dbraw/zinc/28/14/45/526281445.db2.gz IFYMZWOXXRMABI-AZUAARDMSA-N 1 1 368.481 1.807 50 0 FDAAMO NC(=O)C[NH+]1CCC(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000091690815 526884143 /nfs/dbraw/zinc/88/41/43/526884143.db2.gz AEFQCRVFSOSMCB-UHFFFAOYSA-N 1 1 361.461 1.951 50 0 FDAAMO O=C1C[C@]2(CC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)C2)C(=O)N1 ZINC000082134575 527034929 /nfs/dbraw/zinc/03/49/29/527034929.db2.gz JLZDNKVTKJVGMH-IBGZPJMESA-N 1 1 351.410 1.327 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-n2cnnc2)C[C@@H]1CCO ZINC000299760780 528002859 /nfs/dbraw/zinc/00/28/59/528002859.db2.gz OZIXBFJQNHWTLD-INIZCTEOSA-N 1 1 357.458 1.432 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cnc4ccnn4c3C)cc2C1 ZINC000299781359 528488986 /nfs/dbraw/zinc/48/89/86/528488986.db2.gz SWEREAZITUSPOL-UHFFFAOYSA-N 1 1 367.457 1.780 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCC(CO)CC2)nc1 ZINC000012472977 536357931 /nfs/dbraw/zinc/35/79/31/536357931.db2.gz TUJKCNWKBHGGQJ-SFHVURJKSA-N 1 1 360.502 1.895 50 0 FDAAMO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000252494884 537250067 /nfs/dbraw/zinc/25/00/67/537250067.db2.gz OHKAYKYXADPCJS-VQIMIIECSA-N 1 1 371.485 1.787 50 0 FDAAMO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000252494884 537250069 /nfs/dbraw/zinc/25/00/69/537250069.db2.gz OHKAYKYXADPCJS-VQIMIIECSA-N 1 1 371.485 1.787 50 0 FDAAMO Cc1ncc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccccc2)n1 ZINC000215404285 537437693 /nfs/dbraw/zinc/43/76/93/537437693.db2.gz SWELKKTTXYKINP-MRXNPFEDSA-N 1 1 367.453 1.379 50 0 FDAAMO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(CN3CCN(C)CC3)c2C)C1 ZINC000215421243 537438276 /nfs/dbraw/zinc/43/82/76/537438276.db2.gz CYIPWYVVEBISPU-GOSISDBHSA-N 1 1 358.530 1.619 50 0 FDAAMO CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(CN3CCN(C)CC3)c2C)C1 ZINC000215421243 537438286 /nfs/dbraw/zinc/43/82/86/537438286.db2.gz CYIPWYVVEBISPU-GOSISDBHSA-N 1 1 358.530 1.619 50 0 FDAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-n2cnnn2)ccc1O ZINC000220108140 537483544 /nfs/dbraw/zinc/48/35/44/537483544.db2.gz FNNGWWMEDQIKGR-UHFFFAOYSA-N 1 1 364.409 1.156 50 0 FDAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(-n2cnnn2)ccc1O ZINC000220108140 537483549 /nfs/dbraw/zinc/48/35/49/537483549.db2.gz FNNGWWMEDQIKGR-UHFFFAOYSA-N 1 1 364.409 1.156 50 0 FDAAMO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000221194321 537495084 /nfs/dbraw/zinc/49/50/84/537495084.db2.gz XSSSXCBGETZHAK-MBNRZODZSA-N 1 1 354.454 1.924 50 0 FDAAMO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000221194321 537495091 /nfs/dbraw/zinc/49/50/91/537495091.db2.gz XSSSXCBGETZHAK-MBNRZODZSA-N 1 1 354.454 1.924 50 0 FDAAMO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC)C2)c1 ZINC000222264272 537504198 /nfs/dbraw/zinc/50/41/98/537504198.db2.gz RXUKZBDGEKHSMX-MGPUTAFESA-N 1 1 373.453 1.650 50 0 FDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)NCCc1nc(-c2cccnc2)no1 ZINC000223705478 537531476 /nfs/dbraw/zinc/53/14/76/537531476.db2.gz XDUMONGWNJORFS-UHFFFAOYSA-N 1 1 363.421 1.849 50 0 FDAAMO O=C(C[N@H+]1CCc2ccccc2C1)NCCc1nc(-c2cccnc2)no1 ZINC000223705478 537531483 /nfs/dbraw/zinc/53/14/83/537531483.db2.gz XDUMONGWNJORFS-UHFFFAOYSA-N 1 1 363.421 1.849 50 0 FDAAMO Cc1cc(=O)[nH]c(NCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000223839233 537535637 /nfs/dbraw/zinc/53/56/37/537535637.db2.gz HFAFAQGYJVJTEJ-INIZCTEOSA-N 1 1 355.442 1.271 50 0 FDAAMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)Cc1ccccc1C(=O)OC ZINC000225548682 537553863 /nfs/dbraw/zinc/55/38/63/537553863.db2.gz NKYTZCFPAJTRTJ-HNNXBMFYSA-N 1 1 354.472 1.719 50 0 FDAAMO CC(C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)on1 ZINC000240128337 537645599 /nfs/dbraw/zinc/64/55/99/537645599.db2.gz IPZZXDLRSSEZDX-IAGOWNOFSA-N 1 1 358.442 1.633 50 0 FDAAMO CC(C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)on1 ZINC000240128337 537645604 /nfs/dbraw/zinc/64/56/04/537645604.db2.gz IPZZXDLRSSEZDX-IAGOWNOFSA-N 1 1 358.442 1.633 50 0 FDAAMO Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@H+]2C[C@H](O)C[C@H]2C(=O)[O-])c1 ZINC000240517190 537645963 /nfs/dbraw/zinc/64/59/63/537645963.db2.gz NWMGMMMOZVQFRH-MOPGFXCFSA-N 1 1 361.486 1.071 50 0 FDAAMO O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000241965745 537647172 /nfs/dbraw/zinc/64/71/72/537647172.db2.gz UVGYGXNBLDJCBR-RBUKOAKNSA-N 1 1 357.498 1.803 50 0 FDAAMO O=S(=O)(N1CCCCC1)N1CCC[N@@H+](CCCc2ccco2)CC1 ZINC000244601832 537648131 /nfs/dbraw/zinc/64/81/31/537648131.db2.gz DSJJSIQQVHMJHY-UHFFFAOYSA-N 1 1 355.504 1.951 50 0 FDAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H](c4nnc(CO)n4C)C3)nc12 ZINC000244701095 537649991 /nfs/dbraw/zinc/64/99/91/537649991.db2.gz KACRVEJHHWJSTR-AWEZNQCLSA-N 1 1 368.441 1.003 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)O2)CC1 ZINC000244734619 537650884 /nfs/dbraw/zinc/65/08/84/537650884.db2.gz NIZAMOONRZEKQD-QGZVFWFLSA-N 1 1 373.453 1.379 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)O2)CC1 ZINC000244734619 537650887 /nfs/dbraw/zinc/65/08/87/537650887.db2.gz NIZAMOONRZEKQD-QGZVFWFLSA-N 1 1 373.453 1.379 50 0 FDAAMO Nc1ncc(C(=O)NCC2(C[NH+]3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000426740635 538126790 /nfs/dbraw/zinc/12/67/90/538126790.db2.gz VVKBBTJIMSEQPO-UHFFFAOYSA-N 1 1 367.453 1.568 50 0 FDAAMO OCCNc1nc(N(Cc2cccnc2)C2CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426739081 538127242 /nfs/dbraw/zinc/12/72/42/538127242.db2.gz POTOZXIIPVTMMR-HNNXBMFYSA-N 1 1 355.442 1.949 50 0 FDAAMO Cc1cccc2nc(CCNC(=O)Cn3nccc3[C@@H]3CCC[NH2+]C3)[nH]c21 ZINC000426567131 538424757 /nfs/dbraw/zinc/42/47/57/538424757.db2.gz RVEAXKZVOIHOKG-OAHLLOKOSA-N 1 1 366.469 1.894 50 0 FDAAMO N=c1[n-]nc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)s1 ZINC000584884298 551564489 /nfs/dbraw/zinc/56/44/89/551564489.db2.gz KWBLSORBCYXHFD-UHFFFAOYSA-N 1 1 374.514 1.970 50 0 FDAAMO CCCn1ncnc1-c1ccc(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)cc1 ZINC000584893629 551566129 /nfs/dbraw/zinc/56/61/29/551566129.db2.gz LAHVPMADVNVIFR-SFHVURJKSA-N 1 1 371.485 1.932 50 0 FDAAMO COc1ccc(-c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)c(CO)c1 ZINC000629740350 557826555 /nfs/dbraw/zinc/82/65/55/557826555.db2.gz CBTWCELAKHYMCB-UHFFFAOYSA-N 1 1 362.451 1.448 50 0 FDAAMO CC[C@@](C)(CNC(=O)Nc1cccc(-n2nnnc2C)c1)[NH+]1CCOCC1 ZINC000045687331 570911023 /nfs/dbraw/zinc/91/10/23/570911023.db2.gz BYAGADRSURLMSG-SFHVURJKSA-N 1 1 373.461 1.593 50 0 FDAAMO C[C@@H](CNC(=O)C(=O)Nc1cn(C)nc1-c1ccncc1)[N@@H+](C)C1CC1 ZINC000084638282 571094180 /nfs/dbraw/zinc/09/41/80/571094180.db2.gz ALPGMKSHZFCQIM-LBPRGKRZSA-N 1 1 356.430 1.020 50 0 FDAAMO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000426635563 571105553 /nfs/dbraw/zinc/10/55/53/571105553.db2.gz UYPSFRSRQUZXNO-CYBMUJFWSA-N 1 1 370.432 1.724 50 0 FDAAMO [NH3+]CCOc1ccc(F)cc1C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000426634166 571105648 /nfs/dbraw/zinc/10/56/48/571105648.db2.gz JYPNWTJPCNCUNW-UHFFFAOYSA-N 1 1 372.444 1.953 50 0 FDAAMO CCc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(O)CCN(C(C)=O)C[C@H]3C2)cc1 ZINC000244874739 571118638 /nfs/dbraw/zinc/11/86/38/571118638.db2.gz XGKDNIRZJMWUFH-WIYYLYMNSA-N 1 1 373.497 1.883 50 0 FDAAMO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000244882864 571119174 /nfs/dbraw/zinc/11/91/74/571119174.db2.gz YASZRMPOTLKBIW-IBGZPJMESA-N 1 1 353.426 1.369 50 0 FDAAMO Cn1ccc(NC(=O)C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000244882864 571119175 /nfs/dbraw/zinc/11/91/75/571119175.db2.gz YASZRMPOTLKBIW-IBGZPJMESA-N 1 1 353.426 1.369 50 0 FDAAMO Nc1nc(NCc2cnn(-c3cccc(F)c3)c2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426572988 571138557 /nfs/dbraw/zinc/13/85/57/571138557.db2.gz BBWFOBSKPJJCPP-CYBMUJFWSA-N 1 1 354.389 1.922 50 0 FDAAMO Cc1ccc2[nH]c(CNc3cc([C@H]4CCOC4)[nH+]c(NCCO)n3)nc2c1 ZINC000426405744 571220923 /nfs/dbraw/zinc/22/09/23/571220923.db2.gz PNCXJYSKSANNMT-ZDUSSCGKSA-N 1 1 368.441 1.025 50 0 FDAAMO Cc1ccc2nc(CNc3cc([C@H]4CCOC4)[nH+]c(NCCO)n3)[nH]c2c1 ZINC000426405744 571220924 /nfs/dbraw/zinc/22/09/24/571220924.db2.gz PNCXJYSKSANNMT-ZDUSSCGKSA-N 1 1 368.441 1.025 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)c1ccc(-c2ncc(F)c(NC)n2)cc1 ZINC000426428090 571224063 /nfs/dbraw/zinc/22/40/63/571224063.db2.gz PMRBPQYVZGMPMP-UHFFFAOYSA-N 1 1 368.416 1.935 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000426428900 571224285 /nfs/dbraw/zinc/22/42/85/571224285.db2.gz JCPKTKPCYVIQFY-QGZVFWFLSA-N 1 1 356.470 1.670 50 0 FDAAMO [NH3+]CCOc1cccc(CC(=O)N2CCN(C3CCSCC3)CC2)c1 ZINC000426509372 571229187 /nfs/dbraw/zinc/22/91/87/571229187.db2.gz MJLCYYWVTJNRRB-UHFFFAOYSA-N 1 1 363.527 1.606 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000426661975 571234601 /nfs/dbraw/zinc/23/46/01/571234601.db2.gz HGNIVXBYVBCXJG-CQSZACIVSA-N 1 1 350.467 1.052 50 0 FDAAMO COCC[N@@H+]1CCC[C@H](CNC(=O)N2CCC(c3nc[nH]n3)CC2)C1 ZINC000426661975 571234602 /nfs/dbraw/zinc/23/46/02/571234602.db2.gz HGNIVXBYVBCXJG-CQSZACIVSA-N 1 1 350.467 1.052 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3nc[nH]n3)CC2)C1 ZINC000426661975 571234603 /nfs/dbraw/zinc/23/46/03/571234603.db2.gz HGNIVXBYVBCXJG-CQSZACIVSA-N 1 1 350.467 1.052 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000670453158 571352905 /nfs/dbraw/zinc/35/29/05/571352905.db2.gz ULONEEYKCOAHAU-CYBMUJFWSA-N 1 1 366.405 1.831 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@@H]1CO)c1cccc(C(F)(F)F)c1 ZINC000670453158 571352906 /nfs/dbraw/zinc/35/29/06/571352906.db2.gz ULONEEYKCOAHAU-CYBMUJFWSA-N 1 1 366.405 1.831 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCC[C@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000670467872 571359332 /nfs/dbraw/zinc/35/93/32/571359332.db2.gz WMOAGEDGLJVACM-NSHDSACASA-N 1 1 367.298 1.976 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCC[C@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000670467872 571359333 /nfs/dbraw/zinc/35/93/33/571359333.db2.gz WMOAGEDGLJVACM-NSHDSACASA-N 1 1 367.298 1.976 50 0 FDAAMO C[C@]1(CNS(=O)(=O)C[C@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000249200646 672550220 /nfs/dbraw/zinc/55/02/20/672550220.db2.gz CYAHESIQTKTAFX-ZWKOTPCHSA-N 1 1 352.500 1.997 50 0 FDAAMO COc1cc(NC(=O)C[N@H+](C)CC2(CO)CCOCC2)cc(OC)c1 ZINC000252479791 672593411 /nfs/dbraw/zinc/59/34/11/672593411.db2.gz BMVWEVYPJRJALW-UHFFFAOYSA-N 1 1 352.431 1.363 50 0 FDAAMO COc1cc(NC(=O)C[N@@H+](C)CC2(CO)CCOCC2)cc(OC)c1 ZINC000252479791 672593420 /nfs/dbraw/zinc/59/34/20/672593420.db2.gz BMVWEVYPJRJALW-UHFFFAOYSA-N 1 1 352.431 1.363 50 0 FDAAMO CC(C)CC(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000257175800 672629456 /nfs/dbraw/zinc/62/94/56/672629456.db2.gz BRAYBPUUOGHRCJ-INIZCTEOSA-N 1 1 351.491 1.204 50 0 FDAAMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000529288706 694774209 /nfs/dbraw/zinc/77/42/09/694774209.db2.gz GKRVCXISPWCQFI-HOCLYGCPSA-N 1 1 351.397 1.593 50 0 FDAAMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000529288702 694774269 /nfs/dbraw/zinc/77/42/69/694774269.db2.gz GKRVCXISPWCQFI-GDBMZVCRSA-N 1 1 351.397 1.593 50 0 FDAAMO CCn1ccc(C(=O)N2CCC([N@H+]3C[C@H](OC)C34CCOCC4)CC2)n1 ZINC000581802598 787011072 /nfs/dbraw/zinc/01/10/72/787011072.db2.gz MZGRALQBHQCDRK-KRWDZBQOSA-N 1 1 362.474 1.387 50 0 FDAAMO CCn1cc(CN(C)C(=O)[C@@H]2Cc3nc[nH]c3C3(CCCC3)[NH2+]2)c(C)n1 ZINC000675013502 795218444 /nfs/dbraw/zinc/21/84/44/795218444.db2.gz GIPZMKXINWEZMK-INIZCTEOSA-N 1 1 356.474 1.877 50 0 FDAAMO CC(C)CC(=O)N1CCC2(CC1)[NH2+][C@H](C(=O)N1CCCC1)Cc1nc[nH]c12 ZINC000675015581 795228072 /nfs/dbraw/zinc/22/80/72/795228072.db2.gz YXGAXHGMYLREQZ-INIZCTEOSA-N 1 1 373.501 1.410 50 0 FDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1Cn2cccc2C(=O)N1 ZINC000169776947 864508800 /nfs/dbraw/zinc/50/88/00/864508800.db2.gz CRILAQAKTNPYMQ-KRWDZBQOSA-N 1 1 352.438 1.165 50 0 FDAAMO CC[N@@H+](CCNC(=O)[C@@H]1Cn2cccc2C(=O)N1C)Cc1ccccc1 ZINC000169779213 864510284 /nfs/dbraw/zinc/51/02/84/864510284.db2.gz OTEMDWFSYCEVIG-SFHVURJKSA-N 1 1 354.454 1.581 50 0 FDAAMO COc1cccc(C[N@H+]2CCc3nn(CC4CC4)c(=O)n3CC2)c1OC ZINC000169783870 864513235 /nfs/dbraw/zinc/51/32/35/864513235.db2.gz CHXJZDNVYVQGHN-UHFFFAOYSA-N 1 1 358.442 1.530 50 0 FDAAMO COc1cccc(C[N@@H+]2CCc3nn(CC4CC4)c(=O)n3CC2)c1OC ZINC000169783870 864513241 /nfs/dbraw/zinc/51/32/41/864513241.db2.gz CHXJZDNVYVQGHN-UHFFFAOYSA-N 1 1 358.442 1.530 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000169790886 864528544 /nfs/dbraw/zinc/52/85/44/864528544.db2.gz XVIGBYXAMKOTDZ-OXQOHEQNSA-N 1 1 370.497 1.939 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1cc2ccccc2[nH]1 ZINC000169790886 864528550 /nfs/dbraw/zinc/52/85/50/864528550.db2.gz XVIGBYXAMKOTDZ-OXQOHEQNSA-N 1 1 370.497 1.939 50 0 FDAAMO CC(=O)N1CCc2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)ccc21 ZINC000174200404 866339039 /nfs/dbraw/zinc/33/90/39/866339039.db2.gz UDQMMDAZYABEFF-INIZCTEOSA-N 1 1 357.454 1.390 50 0 FDAAMO O=C(C1=NNC(=O)CC1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012476294 882528415 /nfs/dbraw/zinc/52/84/15/882528415.db2.gz FWZCEUFQYCQNII-OAQYLSRUSA-N 1 1 368.481 1.810 50 0 FDAAMO CCC[N@H+]1CCOC2(CCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)C1 ZINC000822921707 921032454 /nfs/dbraw/zinc/03/24/54/921032454.db2.gz TZAZOOQXFMAPFQ-UHFFFAOYSA-N 1 1 370.457 1.379 50 0 FDAAMO COc1c2c(c(Br)c3c1[C@H](CC(N)=O)[N@@H+](C)CC3)OCO2 ZINC000824528199 923029349 /nfs/dbraw/zinc/02/93/49/923029349.db2.gz DWTJLKWXSTXANA-QMMMGPOBSA-N 1 1 357.204 1.591 50 0 FDAAMO COc1cc(S(=O)(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c(C)cc1C ZINC000824577646 923076664 /nfs/dbraw/zinc/07/66/64/923076664.db2.gz NTBUJKRPNXMGKE-HOTGVXAUSA-N 1 1 368.499 1.532 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)CCn2nnnc2C)C1 ZINC000827822374 924758210 /nfs/dbraw/zinc/75/82/10/924758210.db2.gz KFAFXFWEBRQVRB-HNNXBMFYSA-N 1 1 361.450 1.005 50 0 FDAAMO O=C(CCCN1CCCCC1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000827939619 924791607 /nfs/dbraw/zinc/79/16/07/924791607.db2.gz NBGKBMFPARWCHV-QGZVFWFLSA-N 1 1 351.491 1.492 50 0 FDAAMO CN(Cc1ccccc1)S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1CO ZINC000828710781 924926012 /nfs/dbraw/zinc/92/60/12/924926012.db2.gz DBATXNIPLDULFN-KRWDZBQOSA-N 1 1 355.504 1.190 50 0 FDAAMO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000585088571 944019318 /nfs/dbraw/zinc/01/93/18/944019318.db2.gz XSLYBVILJZWVCJ-LBPRGKRZSA-N 1 1 355.776 1.908 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000952860342 960186546 /nfs/dbraw/zinc/18/65/46/960186546.db2.gz MVQVBPOXTQXXOY-APWZRJJASA-N 1 1 370.428 1.624 50 0 FDAAMO Cc1ccccc1OC1CCN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000952972789 960267161 /nfs/dbraw/zinc/26/71/61/960267161.db2.gz GSLRPXBBSQQGEJ-INIZCTEOSA-N 1 1 359.470 1.562 50 0 FDAAMO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1ccccc1Cl ZINC000952974044 960268564 /nfs/dbraw/zinc/26/85/64/960268564.db2.gz CGLFVECBETUDJD-CZUORRHYSA-N 1 1 366.893 1.256 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(COC)n1)CC2 ZINC000091476793 1008062202 /nfs/dbraw/zinc/06/22/02/1008062202.db2.gz IMLUPSRRPPDLLZ-UHFFFAOYSA-N 1 1 369.469 1.961 50 0 FDAAMO Cc1ccc(CCC(=O)N[C@H]2C[N@@H+](CCC(N)=O)C[C@@H]2C2CC2)cc1C ZINC000091595618 1008171636 /nfs/dbraw/zinc/17/16/36/1008171636.db2.gz FEVPASAXGWKXOV-MOPGFXCFSA-N 1 1 357.498 1.938 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]2O)CC1 ZINC000223918419 222800713 /nfs/dbraw/zinc/80/07/13/222800713.db2.gz KVAAPEJCRJLEMW-GJZGRUSLSA-N 1 1 357.376 1.138 50 0 FDAAMO CN(CCc1ccccn1)C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000534585576 540385284 /nfs/dbraw/zinc/38/52/84/540385284.db2.gz UTPDEROYSPUHJM-UHFFFAOYSA-N 1 1 359.474 1.009 50 0 FDAAMO COCC[NH+]1CCN(C(=O)NCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000534584918 540385440 /nfs/dbraw/zinc/38/54/40/540385440.db2.gz SAMUKOFPGWUTBK-UHFFFAOYSA-N 1 1 359.430 1.519 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797291 219770996 /nfs/dbraw/zinc/77/09/96/219770996.db2.gz HYLXCLDHNIJDFN-HNNXBMFYSA-N 1 1 367.453 1.640 50 0 FDAAMO N[C@@H](CO)C(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000299779363 223094053 /nfs/dbraw/zinc/09/40/53/223094053.db2.gz FGJFOUDOLOXSKC-FQEVSTJZSA-N 1 1 367.493 1.656 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000012712297 220019031 /nfs/dbraw/zinc/01/90/31/220019031.db2.gz HTFYZWSKYQNWBZ-HNNXBMFYSA-N 1 1 371.403 1.963 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000012712297 220019033 /nfs/dbraw/zinc/01/90/33/220019033.db2.gz HTFYZWSKYQNWBZ-HNNXBMFYSA-N 1 1 371.403 1.963 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(-c2nn[nH]n2)c1 ZINC000012814956 220033559 /nfs/dbraw/zinc/03/35/59/220033559.db2.gz QXRZOBUINIDPHX-UHFFFAOYSA-N 1 1 370.457 1.632 50 0 FDAAMO CS(=O)(=O)NC1=NC2=[NH+][C@H](c3ccccc3)C[C@@H](c3ccccc3)N2N1 ZINC000013122574 220058958 /nfs/dbraw/zinc/05/89/58/220058958.db2.gz KISCFENOGNFEAC-HOTGVXAUSA-N 1 1 369.450 1.954 50 0 FDAAMO O=S1(=O)C[C@H](O)[C@H]([NH2+]CCC2CCN(Cc3ccccc3)CC2)C1 ZINC000013725277 220090315 /nfs/dbraw/zinc/09/03/15/220090315.db2.gz JFETWLBYAQPVFG-MSOLQXFVSA-N 1 1 352.500 1.036 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccco1 ZINC000014246067 220119884 /nfs/dbraw/zinc/11/98/84/220119884.db2.gz UDMIVODXWRWQCS-ZDUSSCGKSA-N 1 1 352.416 1.351 50 0 FDAAMO CCOC(=O)c1cnn(-c2cccc(C)c2C)c1C[NH2+]CCNC(C)=O ZINC000014884283 220135592 /nfs/dbraw/zinc/13/55/92/220135592.db2.gz JDYZOLRTMPRZNS-UHFFFAOYSA-N 1 1 358.442 1.892 50 0 FDAAMO C[N@@H+](Cc1cccc(OC[C@H](O)CN2CCOCC2)c1)C1CCOCC1 ZINC000015073081 220145485 /nfs/dbraw/zinc/14/54/85/220145485.db2.gz VFSQTLAAQUJIDS-LJQANCHMSA-N 1 1 364.486 1.369 50 0 FDAAMO CCCCN1C(=O)NC(=O)C(=C(CC)NCC[NH+]2CCCCC2)C1=O ZINC000019364634 220252351 /nfs/dbraw/zinc/25/23/51/220252351.db2.gz BDIOMMLNIWIANN-PFONDFGASA-N 1 1 350.463 1.605 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000286165012 183003231 /nfs/dbraw/zinc/00/32/31/183003231.db2.gz YFFYCECIWPHTEP-GXTWGEPZSA-N 1 1 354.472 1.745 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000286165012 183003232 /nfs/dbraw/zinc/00/32/32/183003232.db2.gz YFFYCECIWPHTEP-GXTWGEPZSA-N 1 1 354.472 1.745 50 0 FDAAMO C[NH+]1CCN(C(=O)CN2c3cccnc3Sc3ccccc3C2=O)CC1 ZINC000020512028 220331308 /nfs/dbraw/zinc/33/13/08/220331308.db2.gz VRGJQCMLJBYVGE-UHFFFAOYSA-N 1 1 368.462 1.967 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299789813 533215702 /nfs/dbraw/zinc/21/57/02/533215702.db2.gz ACURHHRQMSWLEP-OALUTQOASA-N 1 1 366.425 1.818 50 0 FDAAMO O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000055111321 221057948 /nfs/dbraw/zinc/05/79/48/221057948.db2.gz FEFXPFPNQMHNMQ-MRXNPFEDSA-N 1 1 365.499 1.120 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000056999091 221082473 /nfs/dbraw/zinc/08/24/73/221082473.db2.gz FWHKGCIGBSTWDE-XHSDSOJGSA-N 1 1 373.563 1.531 50 0 FDAAMO COc1ccc(Cl)cc1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000058171772 221102431 /nfs/dbraw/zinc/10/24/31/221102431.db2.gz UAMSWASNUALYED-HNNXBMFYSA-N 1 1 365.861 1.903 50 0 FDAAMO Cc1ccc(C2N=NC(=S)N2CC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000058208845 221106957 /nfs/dbraw/zinc/10/69/57/221106957.db2.gz BYIBEQVQUCUYFW-UHFFFAOYSA-N 1 1 357.483 1.849 50 0 FDAAMO O=C(CCN1C(=O)CCC1=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000058251115 221111191 /nfs/dbraw/zinc/11/11/91/221111191.db2.gz JTZITYLEWFZBBR-QGZVFWFLSA-N 1 1 357.454 1.696 50 0 FDAAMO C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000058279933 221112621 /nfs/dbraw/zinc/11/26/21/221112621.db2.gz IGUHIUGNJFAYAJ-QGZVFWFLSA-N 1 1 359.451 1.892 50 0 FDAAMO COc1cc2c(cc1CNC[C@]1(O)CCC[N@H+]3CCCC[C@@H]31)OCCO2 ZINC000063870189 221144090 /nfs/dbraw/zinc/14/40/90/221144090.db2.gz KYCRYJPDJVOXIA-WOJBJXKFSA-N 1 1 362.470 1.935 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000065289592 221196541 /nfs/dbraw/zinc/19/65/41/221196541.db2.gz RXYXDZIZCAWVBF-NVXWUHKLSA-N 1 1 373.501 1.019 50 0 FDAAMO COc1nc2c(cc1C(=O)N1CCC3(CC1)C(=O)NCCC[N@@H+]3C)CCC2 ZINC000067641924 221265293 /nfs/dbraw/zinc/26/52/93/221265293.db2.gz SIRRNOBGNSFTJF-UHFFFAOYSA-N 1 1 372.469 1.005 50 0 FDAAMO COc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000067654326 221266263 /nfs/dbraw/zinc/26/62/63/221266263.db2.gz WIJHZLDZGSKVIJ-GOSISDBHSA-N 1 1 370.453 1.780 50 0 FDAAMO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067678458 221270152 /nfs/dbraw/zinc/27/01/52/221270152.db2.gz USPXNXNOAZKLSC-OAQYLSRUSA-N 1 1 373.497 1.137 50 0 FDAAMO O=C(c1cc(COc2ccccc2)n[nH]1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000067743180 221280252 /nfs/dbraw/zinc/28/02/52/221280252.db2.gz OOTQUMVKDQNZLZ-OALUTQOASA-N 1 1 370.453 1.660 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CC[N@H+](C)[C@@H]3CCN(C)C3)CC2)nc1 ZINC000067756772 221281470 /nfs/dbraw/zinc/28/14/70/221281470.db2.gz KWRKDTHOAMOGBB-QGZVFWFLSA-N 1 1 360.502 1.226 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CCN(C)[C@@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000067756772 221281472 /nfs/dbraw/zinc/28/14/72/221281472.db2.gz KWRKDTHOAMOGBB-QGZVFWFLSA-N 1 1 360.502 1.226 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CCN(C)[C@@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000067756772 221281474 /nfs/dbraw/zinc/28/14/74/221281474.db2.gz KWRKDTHOAMOGBB-QGZVFWFLSA-N 1 1 360.502 1.226 50 0 FDAAMO Cn1cc(C[N@@H+](C)C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)cn1 ZINC000067770187 221283623 /nfs/dbraw/zinc/28/36/23/221283623.db2.gz CDPITQGDMNZUPD-NRFANRHFSA-N 1 1 370.497 1.838 50 0 FDAAMO C[N@@H+](CCC(C)(C)O)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067787058 221285279 /nfs/dbraw/zinc/28/52/79/221285279.db2.gz KGICQDFXRZZQMP-LJQANCHMSA-N 1 1 370.440 1.911 50 0 FDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000067856389 221296599 /nfs/dbraw/zinc/29/65/99/221296599.db2.gz GXGHCRUHEUNCKY-KRWDZBQOSA-N 1 1 354.472 1.810 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2cnc3ccccc3c2)C1=O ZINC000067955710 221309872 /nfs/dbraw/zinc/30/98/72/221309872.db2.gz CDPLKRWSUHADPE-HXUWFJFHSA-N 1 1 357.454 1.667 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH]n1 ZINC000067974763 221310275 /nfs/dbraw/zinc/31/02/75/221310275.db2.gz XXVJPBDANAUMNI-INIZCTEOSA-N 1 1 373.501 1.657 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1 ZINC000067974763 221310278 /nfs/dbraw/zinc/31/02/78/221310278.db2.gz XXVJPBDANAUMNI-INIZCTEOSA-N 1 1 373.501 1.657 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1 ZINC000067974763 221310280 /nfs/dbraw/zinc/31/02/80/221310280.db2.gz XXVJPBDANAUMNI-INIZCTEOSA-N 1 1 373.501 1.657 50 0 FDAAMO Cc1cc(CN2CC[NH+](CCCc3nnnn3-c3ccccc3)CC2)no1 ZINC000069652008 221326882 /nfs/dbraw/zinc/32/68/82/221326882.db2.gz JDSGDCYRLDEWNP-UHFFFAOYSA-N 1 1 367.457 1.709 50 0 FDAAMO COc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000071282764 221338593 /nfs/dbraw/zinc/33/85/93/221338593.db2.gz OATLFFXDGHTATM-GOSISDBHSA-N 1 1 357.454 1.648 50 0 FDAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(CCCO)CC2)C1 ZINC000071404002 221345165 /nfs/dbraw/zinc/34/51/65/221345165.db2.gz PFFDESSSLGISCH-HXUWFJFHSA-N 1 1 373.541 1.904 50 0 FDAAMO CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750726 221361743 /nfs/dbraw/zinc/36/17/43/221361743.db2.gz RFKHQHMNULMTDN-SFHVURJKSA-N 1 1 360.502 1.209 50 0 FDAAMO CC(=O)N1CCc2c(nc(N(C)C)nc2N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC000071711908 221354929 /nfs/dbraw/zinc/35/49/29/221354929.db2.gz LUABMEBZYLTACW-HNNXBMFYSA-N 1 1 358.490 1.122 50 0 FDAAMO O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)N1CCOc2ccccc21 ZINC000077319917 132180424 /nfs/dbraw/zinc/18/04/24/132180424.db2.gz QQMNDWXUMPSJBQ-QGZVFWFLSA-N 1 1 359.470 1.599 50 0 FDAAMO O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)N1CCOc2ccccc21 ZINC000077319917 132180426 /nfs/dbraw/zinc/18/04/26/132180426.db2.gz QQMNDWXUMPSJBQ-QGZVFWFLSA-N 1 1 359.470 1.599 50 0 FDAAMO Nc1cc[nH+]c(N2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 ZINC000077553738 132189145 /nfs/dbraw/zinc/18/91/45/132189145.db2.gz ZJCSCRTYCJTAGD-GOSISDBHSA-N 1 1 355.446 1.234 50 0 FDAAMO CCc1cc(N2CCC(c3nnc(Cn4cncn4)n3C)CC2)nc(C)[nH+]1 ZINC000091808785 132204130 /nfs/dbraw/zinc/20/41/30/132204130.db2.gz VCZCJNNMAAPJAV-UHFFFAOYSA-N 1 1 367.461 1.500 50 0 FDAAMO Cc1ncnc(N2CC[NH+](CCCOc3ccc(C(N)=O)cc3)CC2)c1C ZINC000244594231 132289894 /nfs/dbraw/zinc/28/98/94/132289894.db2.gz DIUAGQRILRVGNT-UHFFFAOYSA-N 1 1 369.469 1.783 50 0 FDAAMO O=C(CC[NH+]1CCN(c2ccc3nccn3n2)CC1)Nc1nccs1 ZINC000244778726 132290883 /nfs/dbraw/zinc/29/08/83/132290883.db2.gz PVJNPSUZJVTDRL-UHFFFAOYSA-N 1 1 357.443 1.337 50 0 FDAAMO CNc1nc(N2CCN(Cc3nccn3C)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299781109 132299503 /nfs/dbraw/zinc/29/95/03/132299503.db2.gz DCHXYKVKBGBZCV-AWEZNQCLSA-N 1 1 357.462 1.078 50 0 FDAAMO CSc1nc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)cc(N)[nH+]1 ZINC000299789129 132299827 /nfs/dbraw/zinc/29/98/27/132299827.db2.gz RLNJAMIMBFWVBK-UHFFFAOYSA-N 1 1 373.486 1.414 50 0 FDAAMO CSc1nc(N)cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)[nH+]1 ZINC000299789129 132299829 /nfs/dbraw/zinc/29/98/29/132299829.db2.gz RLNJAMIMBFWVBK-UHFFFAOYSA-N 1 1 373.486 1.414 50 0 FDAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3cnccn3)CC2)[nH+]1 ZINC000072115524 136141926 /nfs/dbraw/zinc/14/19/26/136141926.db2.gz QCCRHYDSTWNTMU-UHFFFAOYSA-N 1 1 367.457 1.528 50 0 FDAAMO O[C@H]1CN(c2nccc3occc32)C[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000072153197 136142891 /nfs/dbraw/zinc/14/28/91/136142891.db2.gz SRUMUSOAJWETAI-IRXDYDNUSA-N 1 1 365.437 1.595 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072438465 136147469 /nfs/dbraw/zinc/14/74/69/136147469.db2.gz PYXWJQOXYUWMHI-UHFFFAOYSA-N 1 1 361.490 1.279 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072478262 136149516 /nfs/dbraw/zinc/14/95/16/136149516.db2.gz ZPGIEQGLUYBDQN-INIZCTEOSA-N 1 1 361.490 1.279 50 0 FDAAMO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000131955095 173218808 /nfs/dbraw/zinc/21/88/08/173218808.db2.gz YBAUBMBVSZURHY-IAGOWNOFSA-N 1 1 365.499 1.191 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3c(C)nc(N)nc3C)CC2)c1 ZINC000072475919 221548697 /nfs/dbraw/zinc/54/86/97/221548697.db2.gz NPVGRCKBLMTNHD-UHFFFAOYSA-N 1 1 353.470 1.871 50 0 FDAAMO CCn1ccnc1C1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)CC1 ZINC000091849117 221804922 /nfs/dbraw/zinc/80/49/22/221804922.db2.gz MFVOEQRYPQVNSA-MRXNPFEDSA-N 1 1 361.490 1.208 50 0 FDAAMO CCn1ccnc1C1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)CC1 ZINC000091849117 221804923 /nfs/dbraw/zinc/80/49/23/221804923.db2.gz MFVOEQRYPQVNSA-MRXNPFEDSA-N 1 1 361.490 1.208 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3ccnn3C)CC2)n1C ZINC000092001442 221825918 /nfs/dbraw/zinc/82/59/18/221825918.db2.gz CIZRRNWSMYAGED-UHFFFAOYSA-N 1 1 368.445 1.122 50 0 FDAAMO CCC[N@H+]1C[C@H](NC(=O)Cc2ccc(O)cc2)C[C@H]1C(=O)N(CC)CC ZINC000095509730 221936773 /nfs/dbraw/zinc/93/67/73/221936773.db2.gz OQXBYAGDOMWCSU-AEFFLSMTSA-N 1 1 361.486 1.772 50 0 FDAAMO CS(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000096148799 222049813 /nfs/dbraw/zinc/04/98/13/222049813.db2.gz AOXHNBKVBNIWNS-CQSZACIVSA-N 1 1 355.460 1.058 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(-c3nncn3C)cc2)C1 ZINC000096150791 222052100 /nfs/dbraw/zinc/05/21/00/222052100.db2.gz SSRRNFPYTLEVMO-HNNXBMFYSA-N 1 1 372.473 1.962 50 0 FDAAMO Cc1nc(C2(c3ccccc3)CC[NH+](C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000096151413 222053229 /nfs/dbraw/zinc/05/32/29/222053229.db2.gz YCAHJGJQWVUQMX-QGZVFWFLSA-N 1 1 374.510 1.958 50 0 FDAAMO C[C@H](NC(=O)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1)c1ncnn1C ZINC000097546558 222189616 /nfs/dbraw/zinc/18/96/16/222189616.db2.gz TXMIVYUVSGIXOJ-ZDUSSCGKSA-N 1 1 371.445 1.085 50 0 FDAAMO C[C@@]1(C2CC2)NC(=O)N(CN2CC[NH+](C/C=C\c3ccccc3)CC2)C1=O ZINC000096920760 222140223 /nfs/dbraw/zinc/14/02/23/222140223.db2.gz KEPQZKYCKMIANF-DPVXCJKMSA-N 1 1 368.481 1.995 50 0 FDAAMO CC[N@@H+](C)[C@H](C)CCNC(=O)c1cccc(S(=O)(=O)N2CCC2)c1 ZINC000097546452 222189948 /nfs/dbraw/zinc/18/99/48/222189948.db2.gz HSOOIGQZUALHFP-CQSZACIVSA-N 1 1 353.488 1.541 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000097505434 222186371 /nfs/dbraw/zinc/18/63/71/222186371.db2.gz OKHPMNSNIDRFEG-ROUUACIJSA-N 1 1 360.433 1.483 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000097505434 222186374 /nfs/dbraw/zinc/18/63/74/222186374.db2.gz OKHPMNSNIDRFEG-ROUUACIJSA-N 1 1 360.433 1.483 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000097505434 222186375 /nfs/dbraw/zinc/18/63/75/222186375.db2.gz OKHPMNSNIDRFEG-ROUUACIJSA-N 1 1 360.433 1.483 50 0 FDAAMO Cc1cc(OC(F)F)ccc1NC(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097521921 222188760 /nfs/dbraw/zinc/18/87/60/222188760.db2.gz IAMGTPILKYTBFJ-LBPRGKRZSA-N 1 1 370.400 1.915 50 0 FDAAMO O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1cccc(-n2cnnc2)n1 ZINC000097604101 222199010 /nfs/dbraw/zinc/19/90/10/222199010.db2.gz LYTWYTBOTHDACC-UHFFFAOYSA-N 1 1 356.430 1.037 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000107542510 222397101 /nfs/dbraw/zinc/39/71/01/222397101.db2.gz RRTMQMGHMADQJH-ICSRJNTNSA-N 1 1 370.497 1.579 50 0 FDAAMO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000301171657 259022480 /nfs/dbraw/zinc/02/24/80/259022480.db2.gz KGUPDDLIOBIRHU-UHFFFAOYSA-N 1 1 352.485 1.373 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(S(N)(=O)=O)s1 ZINC000301572496 259030133 /nfs/dbraw/zinc/03/01/33/259030133.db2.gz YNTCKKVQFYLLDF-GFCCVEGCSA-N 1 1 352.485 1.501 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ncc(S(N)(=O)=O)s1 ZINC000301572496 259030134 /nfs/dbraw/zinc/03/01/34/259030134.db2.gz YNTCKKVQFYLLDF-GFCCVEGCSA-N 1 1 352.485 1.501 50 0 FDAAMO C[C@H]1C[NH+](CCOC2CCN(C(=O)c3cncn3C)CC2)C[C@H](C)O1 ZINC000329426481 259095504 /nfs/dbraw/zinc/09/55/04/259095504.db2.gz JCYNQABZLBTIKI-GJZGRUSLSA-N 1 1 350.463 1.151 50 0 FDAAMO C[C@H](C(=O)N[C@H](CO)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000331074537 259175014 /nfs/dbraw/zinc/17/50/14/259175014.db2.gz KUGYFEPDJAFDQW-BXUZGUMPSA-N 1 1 360.285 1.779 50 0 FDAAMO C[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000333095614 259308981 /nfs/dbraw/zinc/30/89/81/259308981.db2.gz PBZCFWHHZUZAID-QAPCUYQASA-N 1 1 365.518 1.377 50 0 FDAAMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000368009521 260122968 /nfs/dbraw/zinc/12/29/68/260122968.db2.gz XBKMJCUFJKUNOV-AWEZNQCLSA-N 1 1 373.425 1.115 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3cc4nncn4c(N)n3)cc2)CC1 ZINC000534588188 490385244 /nfs/dbraw/zinc/38/52/44/490385244.db2.gz QVOLJSARLDIAJO-UHFFFAOYSA-N 1 1 351.414 1.151 50 0 FDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004574437 518304430 /nfs/dbraw/zinc/30/44/30/518304430.db2.gz VYMJFAMWFOTLDL-UHFFFAOYSA-N 1 1 351.472 1.181 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797290 518386290 /nfs/dbraw/zinc/38/62/90/518386290.db2.gz HYLXCLDHNIJDFN-OAHLLOKOSA-N 1 1 367.453 1.640 50 0 FDAAMO CC[N@@H+](CCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1ccccc1 ZINC000007006345 518398313 /nfs/dbraw/zinc/39/83/13/518398313.db2.gz PVPDOTSSOKQYOX-UHFFFAOYSA-N 1 1 367.496 1.647 50 0 FDAAMO CCOC(=O)CCNC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000012304775 518601166 /nfs/dbraw/zinc/60/11/66/518601166.db2.gz PFYGTDKSYQMGFQ-KRWDZBQOSA-N 1 1 362.474 1.683 50 0 FDAAMO COc1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2C(N)=O)cc(OC)c1OC ZINC000012429437 518612104 /nfs/dbraw/zinc/61/21/04/518612104.db2.gz DOQFTFQUYDJQAQ-ZDUSSCGKSA-N 1 1 360.414 1.552 50 0 FDAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2C(N)=O)cc(OC)c1OC ZINC000012429437 518612113 /nfs/dbraw/zinc/61/21/13/518612113.db2.gz DOQFTFQUYDJQAQ-ZDUSSCGKSA-N 1 1 360.414 1.552 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000025136779 519039672 /nfs/dbraw/zinc/03/96/72/519039672.db2.gz BSKIIJRWWUUJHH-UHFFFAOYSA-N 1 1 351.472 1.294 50 0 FDAAMO C[C@H](On1nnc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025392923 519060231 /nfs/dbraw/zinc/06/02/31/519060231.db2.gz SKHXWMRNYUPFGV-INIZCTEOSA-N 1 1 365.437 1.593 50 0 FDAAMO O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000027778493 519198361 /nfs/dbraw/zinc/19/83/61/519198361.db2.gz SZMATQOETIQMSK-UHFFFAOYSA-N 1 1 374.388 1.647 50 0 FDAAMO NC(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000029716311 519314985 /nfs/dbraw/zinc/31/49/85/519314985.db2.gz KIXOJXNHCFOUMK-UHFFFAOYSA-N 1 1 353.422 1.548 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccnc(Cl)c1 ZINC000032333838 519494246 /nfs/dbraw/zinc/49/42/46/519494246.db2.gz HSIIFQKVPXOZOA-UHFFFAOYSA-N 1 1 360.849 1.467 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299793669 534437165 /nfs/dbraw/zinc/43/71/65/534437165.db2.gz JIXQUWRIPSOYCX-INIZCTEOSA-N 1 1 354.458 1.640 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299793669 534437173 /nfs/dbraw/zinc/43/71/73/534437173.db2.gz JIXQUWRIPSOYCX-INIZCTEOSA-N 1 1 354.458 1.640 50 0 FDAAMO COc1ccc(CNC(=O)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000036550902 519622236 /nfs/dbraw/zinc/62/22/36/519622236.db2.gz VBEGXJOHSCWXQE-GOSISDBHSA-N 1 1 353.422 1.142 50 0 FDAAMO CCn1cc(CN2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)cn1 ZINC000039442360 519636437 /nfs/dbraw/zinc/63/64/37/519636437.db2.gz FOACCUKCYDCWFW-LJQANCHMSA-N 1 1 358.486 1.980 50 0 FDAAMO CCn1cc(CN2CC[N@@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)cn1 ZINC000039442360 519636438 /nfs/dbraw/zinc/63/64/38/519636438.db2.gz FOACCUKCYDCWFW-LJQANCHMSA-N 1 1 358.486 1.980 50 0 FDAAMO O=C(CN1CC[NH+](CCO)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000040020128 519638679 /nfs/dbraw/zinc/63/86/79/519638679.db2.gz PKZUBXHJXKMQPG-UHFFFAOYSA-N 1 1 353.466 1.830 50 0 FDAAMO CCCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082136755 520215117 /nfs/dbraw/zinc/21/51/17/520215117.db2.gz MFAIBBGLGIBSKH-MRXNPFEDSA-N 1 1 367.490 1.568 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000020746135 521638953 /nfs/dbraw/zinc/63/89/53/521638953.db2.gz LQPLSILSVJYFNO-GFCCVEGCSA-N 1 1 374.397 1.591 50 0 FDAAMO CC[NH+]1CCN(C(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1 ZINC000020531663 521663678 /nfs/dbraw/zinc/66/36/78/521663678.db2.gz FMWVFPKAQDTBER-UHFFFAOYSA-N 1 1 373.409 1.751 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000091487050 521744782 /nfs/dbraw/zinc/74/47/82/521744782.db2.gz RENKDEOQCMUSKY-OALUTQOASA-N 1 1 366.465 1.520 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000091487050 521744783 /nfs/dbraw/zinc/74/47/83/521744783.db2.gz RENKDEOQCMUSKY-OALUTQOASA-N 1 1 366.465 1.520 50 0 FDAAMO CCCCc1nc(NCCNC(=O)c2cn3c(n2)CNCC3)cc(C)[nH+]1 ZINC000072125573 522157008 /nfs/dbraw/zinc/15/70/08/522157008.db2.gz QJWHNKPWHCUWAQ-UHFFFAOYSA-N 1 1 357.462 1.269 50 0 FDAAMO Fc1cccc([C@@H]2C[N@@H+](CCCn3cnnn3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000072133783 522161465 /nfs/dbraw/zinc/16/14/65/522161465.db2.gz JRPSBJIGGAQSRV-KFKAGJAMSA-N 1 1 374.439 1.904 50 0 FDAAMO O=C(C1CC1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072135529 522163861 /nfs/dbraw/zinc/16/38/61/522163861.db2.gz HGKMAYOFMKVQFI-GOSISDBHSA-N 1 1 371.481 1.934 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)N1CCc2n[nH]cc2C1 ZINC000072143587 522168812 /nfs/dbraw/zinc/16/88/12/522168812.db2.gz FCDFMWCBKRVCDM-QGZVFWFLSA-N 1 1 359.474 1.065 50 0 FDAAMO O[C@H]1C[C@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)C[C@H]2C[C@@H]1O ZINC000072144546 522170567 /nfs/dbraw/zinc/17/05/67/522170567.db2.gz SJJZNGGYXIPZKI-NBMJBFSESA-N 1 1 364.449 1.960 50 0 FDAAMO O=C(CSc1ccncc1)N1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000072161187 522189404 /nfs/dbraw/zinc/18/94/04/522189404.db2.gz WYXOZTRSPIQSAN-MRXNPFEDSA-N 1 1 374.441 1.752 50 0 FDAAMO C[C@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000072293178 522208683 /nfs/dbraw/zinc/20/86/83/522208683.db2.gz KYTRUHXZHSGWQS-OAHLLOKOSA-N 1 1 368.566 1.706 50 0 FDAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046140880 522233980 /nfs/dbraw/zinc/23/39/80/522233980.db2.gz VGIXXQIHSADBTA-UHFFFAOYSA-N 1 1 367.515 1.554 50 0 FDAAMO CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000046140903 522234466 /nfs/dbraw/zinc/23/44/66/522234466.db2.gz VQODPNYYIOHPNH-UHFFFAOYSA-N 1 1 359.879 1.037 50 0 FDAAMO Nc1cc(C(=O)N2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)ccn1 ZINC000072407528 522236366 /nfs/dbraw/zinc/23/63/66/522236366.db2.gz GGJQEDDIRUUQBI-IBGZPJMESA-N 1 1 368.481 1.805 50 0 FDAAMO CC(=O)N[C@H]1CCN(Cc2cc3n(n2)CC[N@@H+](CCCn2cccc2)C3)C1 ZINC000072410509 522243117 /nfs/dbraw/zinc/24/31/17/522243117.db2.gz ROQWVALIGZWEMU-SFHVURJKSA-N 1 1 370.501 1.301 50 0 FDAAMO CCc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n2nc(C)c(C)c2n1 ZINC000072412060 522246151 /nfs/dbraw/zinc/24/61/51/522246151.db2.gz REWSNYQXGKUGQZ-OAHLLOKOSA-N 1 1 358.490 1.908 50 0 FDAAMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1=Cc2ccccc2OC1 ZINC000058392361 522251967 /nfs/dbraw/zinc/25/19/67/522251967.db2.gz KOQOYSZXOSZETR-QGZVFWFLSA-N 1 1 357.454 1.521 50 0 FDAAMO CC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)Cn1nc(C)c(C(C)=O)c1C)C2 ZINC000072422996 522252473 /nfs/dbraw/zinc/25/24/73/522252473.db2.gz DNZOZIQHLJHCHY-UHFFFAOYSA-N 1 1 372.473 1.393 50 0 FDAAMO CC[N@@H+](C)Cc1cc2n(n1)CCN(C(=O)Cn1nc(C)c(C(C)=O)c1C)C2 ZINC000072422996 522252480 /nfs/dbraw/zinc/25/24/80/522252480.db2.gz DNZOZIQHLJHCHY-UHFFFAOYSA-N 1 1 372.473 1.393 50 0 FDAAMO CCc1nc(CC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cs1 ZINC000089289908 522257108 /nfs/dbraw/zinc/25/71/08/522257108.db2.gz GDGUSBVFNKSVRV-IRXDYDNUSA-N 1 1 359.495 2.000 50 0 FDAAMO CCCC[N@@H+](C)[C@H]1CN(C(=O)c2cc(C(C)C)n3ncnc3n2)C[C@@H]1O ZINC000072425830 522258370 /nfs/dbraw/zinc/25/83/70/522258370.db2.gz DENIYLKCRRIEML-HOTGVXAUSA-N 1 1 360.462 1.165 50 0 FDAAMO CN1C[C@@]2(CCC[N@H+](C3CCN(C(=O)c4ccncc4)CC3)C2)OC1=O ZINC000072447393 522279539 /nfs/dbraw/zinc/27/95/39/522279539.db2.gz STJZKTLXFQHMFB-LJQANCHMSA-N 1 1 358.442 1.603 50 0 FDAAMO c1n[nH]cc1CCNc1ncnc2c1CCN(C[C@@H]1CCC[NH2+]C1)CC2 ZINC000072448591 522282646 /nfs/dbraw/zinc/28/26/46/522282646.db2.gz NYPNIBJXQGTPCO-MRXNPFEDSA-N 1 1 355.490 1.255 50 0 FDAAMO COc1cccc(-n2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@H](O)C3)cn2)c1 ZINC000072457257 522284518 /nfs/dbraw/zinc/28/45/18/522284518.db2.gz PXXCEEFMURCZRM-QGZVFWFLSA-N 1 1 358.442 1.296 50 0 FDAAMO COc1cccc(-n2cc(CN(C)C(=O)C[N@H+]3CCC[C@@H](O)C3)cn2)c1 ZINC000072457257 522284527 /nfs/dbraw/zinc/28/45/27/522284527.db2.gz PXXCEEFMURCZRM-QGZVFWFLSA-N 1 1 358.442 1.296 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2N[C@H]1C[C@H]2C[N@@H+](C)CCN2C1 ZINC000072473707 522292973 /nfs/dbraw/zinc/29/29/73/522292973.db2.gz VSYMVBHDLSAALK-GJZGRUSLSA-N 1 1 364.457 1.226 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 ZINC000072473707 522292982 /nfs/dbraw/zinc/29/29/82/522292982.db2.gz VSYMVBHDLSAALK-GJZGRUSLSA-N 1 1 364.457 1.226 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2N[C@H]1C[C@H]2CN(C)CC[N@H+]2C1 ZINC000072473707 522292989 /nfs/dbraw/zinc/29/29/89/522292989.db2.gz VSYMVBHDLSAALK-GJZGRUSLSA-N 1 1 364.457 1.226 50 0 FDAAMO COc1cccc(-n2cc(CNC(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)cn2)c1 ZINC000072474919 522295924 /nfs/dbraw/zinc/29/59/24/522295924.db2.gz XXOOYVDMNICUQX-QGZVFWFLSA-N 1 1 352.398 1.107 50 0 FDAAMO C[N@H+]1CCCN(c2ncnc3c2CCN(C(=O)c2ccco2)CC3)CC1 ZINC000072475242 522296072 /nfs/dbraw/zinc/29/60/72/522296072.db2.gz FNZYZVAZLFKZPW-UHFFFAOYSA-N 1 1 355.442 1.453 50 0 FDAAMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cnn(C)c2-n2cccc2)C[C@H](C)O1 ZINC000075107647 522877486 /nfs/dbraw/zinc/87/74/86/522877486.db2.gz GLABMPWIVVBHQN-IYBDPMFKSA-N 1 1 359.474 1.830 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC000075876510 522984643 /nfs/dbraw/zinc/98/46/43/522984643.db2.gz ATUOCUHMHUIQQM-INIZCTEOSA-N 1 1 359.474 1.965 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC000075876510 522984655 /nfs/dbraw/zinc/98/46/55/522984655.db2.gz ATUOCUHMHUIQQM-INIZCTEOSA-N 1 1 359.474 1.965 50 0 FDAAMO O=C(CCn1nnc2ccccc21)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077379094 523313713 /nfs/dbraw/zinc/31/37/13/523313713.db2.gz OXYGNALRQGZMTK-UHFFFAOYSA-N 1 1 364.453 1.951 50 0 FDAAMO O=C(CCn1nnc2ccccc21)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077379094 523313721 /nfs/dbraw/zinc/31/37/21/523313721.db2.gz OXYGNALRQGZMTK-UHFFFAOYSA-N 1 1 364.453 1.951 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](C2CSCCSC2)C[C@H]1O)c1cccnc1 ZINC000077436821 523334325 /nfs/dbraw/zinc/33/43/25/523334325.db2.gz UCGOOQAMUGZBGH-HUUCEWRRSA-N 1 1 353.513 1.095 50 0 FDAAMO CCC(=O)N1CCC2(CN(CCC[N@@H+]3CC[C@@H](N(C)C)C3)C(=O)O2)CC1 ZINC000077539117 523377482 /nfs/dbraw/zinc/37/74/82/523377482.db2.gz UUCWTYWZTHLXFG-MRXNPFEDSA-N 1 1 366.506 1.236 50 0 FDAAMO CCC(=O)N1CCC2(CN(CCC[N@H+]3CC[C@@H](N(C)C)C3)C(=O)O2)CC1 ZINC000077539117 523377489 /nfs/dbraw/zinc/37/74/89/523377489.db2.gz UUCWTYWZTHLXFG-MRXNPFEDSA-N 1 1 366.506 1.236 50 0 FDAAMO COCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091643749 523575748 /nfs/dbraw/zinc/57/57/48/523575748.db2.gz NKVKEVZGSZJYAU-FUHWJXTLSA-N 1 1 374.485 1.113 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H](c1ccccc1)n1cnnn1 ZINC000079191316 523720536 /nfs/dbraw/zinc/72/05/36/523720536.db2.gz AZXUDBMIGOQMQW-KSZLIROESA-N 1 1 354.458 1.643 50 0 biogenic FDAAMO CCN(C)S(=O)(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082138643 524215756 /nfs/dbraw/zinc/21/57/56/524215756.db2.gz CUQIOCXOWRDJQE-UHFFFAOYSA-N 1 1 369.535 1.708 50 0 FDAAMO Cc1nc(C[NH+]2CCC(CNC(=O)NCc3cnn(C)c3)CC2)oc1C ZINC000111536056 524296480 /nfs/dbraw/zinc/29/64/80/524296480.db2.gz WFVHVQGEFSJZJC-UHFFFAOYSA-N 1 1 360.462 1.736 50 0 FDAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 ZINC000085470204 524360001 /nfs/dbraw/zinc/36/00/01/524360001.db2.gz MWPRHNBRWLETGW-HNNXBMFYSA-N 1 1 352.500 1.711 50 0 FDAAMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2nc(C)no2)C1 ZINC000111864338 524364325 /nfs/dbraw/zinc/36/43/25/524364325.db2.gz CRRSAQXWGSQALR-LSDHHAIUSA-N 1 1 351.451 1.378 50 0 FDAAMO COCC(=O)N[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)C[C@@H]1C(C)C ZINC000091381841 524699660 /nfs/dbraw/zinc/69/96/60/524699660.db2.gz SCBXAOXJJUGSCA-MSOLQXFVSA-N 1 1 350.459 1.923 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](CC[C@@H](C)SC)CC2 ZINC000091493244 524716504 /nfs/dbraw/zinc/71/65/04/524716504.db2.gz TXRJZSHGJRCLHO-CQSZACIVSA-N 1 1 366.531 1.874 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc(C(=O)[O-])cc3)C[C@@H]2CO)CC1 ZINC000091536262 524721409 /nfs/dbraw/zinc/72/14/09/524721409.db2.gz LZCDPDQRQIFKTI-RTBURBONSA-N 1 1 361.486 1.063 50 0 FDAAMO C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3)C[C@@H]2CO)CC1 ZINC000091536262 524721419 /nfs/dbraw/zinc/72/14/19/524721419.db2.gz LZCDPDQRQIFKTI-RTBURBONSA-N 1 1 361.486 1.063 50 0 FDAAMO C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3)C[C@@H]2CO)CC1 ZINC000091536262 524721427 /nfs/dbraw/zinc/72/14/27/524721427.db2.gz LZCDPDQRQIFKTI-RTBURBONSA-N 1 1 361.486 1.063 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCn2cc(-c3ccc4ccccc4n3)nn2)C1 ZINC000091550423 524724789 /nfs/dbraw/zinc/72/47/89/524724789.db2.gz GLTWGWKRBMIEGF-OAHLLOKOSA-N 1 1 350.426 1.691 50 0 FDAAMO CCN(C)S(=O)(=O)N[C@H]1C[N@@H+](CCCC(F)(F)F)C[C@@H]1C1CC1 ZINC000091604122 524739294 /nfs/dbraw/zinc/73/92/94/524739294.db2.gz MXQYRJMXJHNAFP-OLZOCXBDSA-N 1 1 357.442 1.825 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000091617004 524741576 /nfs/dbraw/zinc/74/15/76/524741576.db2.gz KKNMPYBQTHNHLH-HZPDHXFCSA-N 1 1 352.862 1.661 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(Cc2nc3ccccc3nc2C)C[C@@H]1CO ZINC000091621535 524743488 /nfs/dbraw/zinc/74/34/88/524743488.db2.gz MMSHBADFWKXFQG-IAGOWNOFSA-N 1 1 358.486 1.557 50 0 FDAAMO COCCN(C)C[C@@H]1C[N@H+](Cc2nc3ccccc3nc2C)C[C@@H]1CO ZINC000091621535 524743497 /nfs/dbraw/zinc/74/34/97/524743497.db2.gz MMSHBADFWKXFQG-IAGOWNOFSA-N 1 1 358.486 1.557 50 0 FDAAMO COCCN(C)C[C@@H]1C[N@@H+](Cc2nc3ccccc3nc2C)C[C@@H]1CO ZINC000091621535 524743508 /nfs/dbraw/zinc/74/35/08/524743508.db2.gz MMSHBADFWKXFQG-IAGOWNOFSA-N 1 1 358.486 1.557 50 0 FDAAMO Cc1nc2ccc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)cc2o1 ZINC000091626203 524745623 /nfs/dbraw/zinc/74/56/23/524745623.db2.gz XVYUDEQRUZSYMG-IAGOWNOFSA-N 1 1 374.485 1.310 50 0 FDAAMO Cc1nc2ccc(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)cc2o1 ZINC000091626203 524745630 /nfs/dbraw/zinc/74/56/30/524745630.db2.gz XVYUDEQRUZSYMG-IAGOWNOFSA-N 1 1 374.485 1.310 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(=O)n(C)n1)C2 ZINC000091635470 524749117 /nfs/dbraw/zinc/74/91/17/524749117.db2.gz GIGRCYMJNDZEGG-LSDHHAIUSA-N 1 1 371.441 1.122 50 0 FDAAMO O=S(=O)(N1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091663097 524757836 /nfs/dbraw/zinc/75/78/36/524757836.db2.gz NAHQJVJSEQBXEJ-ZWKOTPCHSA-N 1 1 365.499 1.160 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ccccn2)CC3)C1 ZINC000091678945 524759629 /nfs/dbraw/zinc/75/96/29/524759629.db2.gz ZOJBXCPOWGJWIC-INIZCTEOSA-N 1 1 356.470 1.631 50 0 FDAAMO COCc1ccc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000091713730 524766499 /nfs/dbraw/zinc/76/64/99/524766499.db2.gz ALJGPMOXLCJKJM-QGZVFWFLSA-N 1 1 351.472 1.321 50 0 FDAAMO COCc1ccc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)s1 ZINC000091713730 524766510 /nfs/dbraw/zinc/76/65/10/524766510.db2.gz ALJGPMOXLCJKJM-QGZVFWFLSA-N 1 1 351.472 1.321 50 0 FDAAMO CCCn1cc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1 ZINC000091746371 524774467 /nfs/dbraw/zinc/77/44/67/524774467.db2.gz KWWCRJXFIAKYEH-UHFFFAOYSA-N 1 1 374.489 1.467 50 0 FDAAMO CCCn1cc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1 ZINC000091746371 524774479 /nfs/dbraw/zinc/77/44/79/524774479.db2.gz KWWCRJXFIAKYEH-UHFFFAOYSA-N 1 1 374.489 1.467 50 0 FDAAMO CCc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)on1 ZINC000091756301 524775639 /nfs/dbraw/zinc/77/56/39/524775639.db2.gz RCVMIGOAWHTBLP-MRXNPFEDSA-N 1 1 374.485 1.786 50 0 FDAAMO Cc1ccc(OCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000091829127 524793229 /nfs/dbraw/zinc/79/32/29/524793229.db2.gz ALMRPZLEOPIBTE-QZTJIDSGSA-N 1 1 362.470 1.081 50 0 FDAAMO COCCN1C[C@H]2CC[C@@H]1C[N@H+](C1CCN(C(=O)c3ccncc3)CC1)C2 ZINC000091892749 524804938 /nfs/dbraw/zinc/80/49/38/524804938.db2.gz VIFZDBDCEYSZMW-YLJYHZDGSA-N 1 1 372.513 1.729 50 0 FDAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C1CCN(C(=O)c3ccncc3)CC1)C2 ZINC000091892749 524804949 /nfs/dbraw/zinc/80/49/49/524804949.db2.gz VIFZDBDCEYSZMW-YLJYHZDGSA-N 1 1 372.513 1.729 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C1CCN(C(=O)c3ccncc3)CC1)C2 ZINC000091892749 524804955 /nfs/dbraw/zinc/80/49/55/524804955.db2.gz VIFZDBDCEYSZMW-YLJYHZDGSA-N 1 1 372.513 1.729 50 0 FDAAMO COc1cccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)[nH]n2)c1 ZINC000091906789 524807305 /nfs/dbraw/zinc/80/73/05/524807305.db2.gz LPDRODDGBAACRW-OAHLLOKOSA-N 1 1 358.442 1.662 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@@H]1CO ZINC000091914775 524810615 /nfs/dbraw/zinc/81/06/15/524810615.db2.gz SRMDKJQJTABXMT-QZTJIDSGSA-N 1 1 359.470 1.022 50 0 FDAAMO CC(C)Oc1ccc(Cl)cc1CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091951848 524816683 /nfs/dbraw/zinc/81/66/83/524816683.db2.gz UQQNOFVBKSHAOH-ZDUSSCGKSA-N 1 1 367.877 1.941 50 0 FDAAMO Cc1nnc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)s1 ZINC000092081329 524847243 /nfs/dbraw/zinc/84/72/43/524847243.db2.gz VVJRZHAMIYYYSW-KRWDZBQOSA-N 1 1 350.488 1.840 50 0 FDAAMO Cc1nnc(C[N@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)s1 ZINC000092081329 524847252 /nfs/dbraw/zinc/84/72/52/524847252.db2.gz VVJRZHAMIYYYSW-KRWDZBQOSA-N 1 1 350.488 1.840 50 0 FDAAMO O=C(c1nc[nH]n1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095352576 525027626 /nfs/dbraw/zinc/02/76/26/525027626.db2.gz BJSQYZBKYWAGEL-BZUAXINKSA-N 1 1 359.380 1.785 50 0 FDAAMO CCc1[nH+]ccn1CCNS(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000095364545 525039422 /nfs/dbraw/zinc/03/94/22/525039422.db2.gz GDPLHMZIWWHCPM-UHFFFAOYSA-N 1 1 364.471 1.516 50 0 FDAAMO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc3nonc32)C1 ZINC000095370373 525044962 /nfs/dbraw/zinc/04/49/62/525044962.db2.gz OLUQPNKADMNFTJ-UKRRQHHQSA-N 1 1 364.409 1.749 50 0 FDAAMO Cc1cc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cc(S(N)(=O)=O)c1C ZINC000095377232 525051354 /nfs/dbraw/zinc/05/13/54/525051354.db2.gz HTXGQCFAQQXNIX-ZDUSSCGKSA-N 1 1 365.499 1.650 50 0 FDAAMO COc1c(C)cc(C)cc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 ZINC000095379095 525052141 /nfs/dbraw/zinc/05/21/41/525052141.db2.gz KZHOZHRSUAUZSB-RTBURBONSA-N 1 1 362.514 1.809 50 0 FDAAMO COc1c(C)cc(C)cc1C[N@H+]1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 ZINC000095379095 525052150 /nfs/dbraw/zinc/05/21/50/525052150.db2.gz KZHOZHRSUAUZSB-RTBURBONSA-N 1 1 362.514 1.809 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2CN(c3nc4cc(C)ccc4o3)C[C@@H]2CO)CC1 ZINC000095392969 525064759 /nfs/dbraw/zinc/06/47/59/525064759.db2.gz NXAIHWQHHBEFBV-IAGOWNOFSA-N 1 1 358.486 1.818 50 0 FDAAMO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)cc1 ZINC000095392850 525066123 /nfs/dbraw/zinc/06/61/23/525066123.db2.gz ZZWZOIIHIJFJRQ-NVXWUHKLSA-N 1 1 351.472 1.501 50 0 FDAAMO CCC(CC)[C@@H](C(=O)NCCCOC[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000095401916 525068158 /nfs/dbraw/zinc/06/81/58/525068158.db2.gz OFFLDQVGDJOBDP-AEFFLSMTSA-N 1 1 356.507 1.683 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000095474607 525075526 /nfs/dbraw/zinc/07/55/26/525075526.db2.gz BQEGETREHRINEY-CQSZACIVSA-N 1 1 374.441 1.014 50 0 FDAAMO O[C@H](COc1cccc(CN2CC(O)C2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000095498576 525079870 /nfs/dbraw/zinc/07/98/70/525079870.db2.gz OJCGWIMRUBBCHE-NRFANRHFSA-N 1 1 368.477 1.661 50 0 FDAAMO O=C(CO)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095505082 525087670 /nfs/dbraw/zinc/08/76/70/525087670.db2.gz LFEMXFSHQXCZHJ-LJQANCHMSA-N 1 1 373.497 1.342 50 0 FDAAMO COc1ccnc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000095504780 525088738 /nfs/dbraw/zinc/08/87/38/525088738.db2.gz YSUKFOUWXOTDJC-INIZCTEOSA-N 1 1 374.485 1.497 50 0 FDAAMO O[C@H]1CCN(c2ccnc(N3CCC[N@@H+](Cc4cccc(F)c4)CC3)n2)C1 ZINC000095508010 525090964 /nfs/dbraw/zinc/09/09/64/525090964.db2.gz IEGMQQKNJMTTQI-SFHVURJKSA-N 1 1 371.460 1.899 50 0 FDAAMO O=C(COCc1ccccc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095512487 525095742 /nfs/dbraw/zinc/09/57/42/525095742.db2.gz HTOUMAQPDKWXNX-HXUWFJFHSA-N 1 1 354.450 1.909 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C[N@H+]1C1CCCC1 ZINC000095518777 525096733 /nfs/dbraw/zinc/09/67/33/525096733.db2.gz LHLGLASFUWOBQJ-ZBFHGGJFSA-N 1 1 361.490 1.702 50 0 FDAAMO COc1cc(CN2CCCOCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095524250 525101051 /nfs/dbraw/zinc/10/10/51/525101051.db2.gz OLEMEISFQFFFKI-SFHVURJKSA-N 1 1 366.502 1.997 50 0 FDAAMO COc1cc(CN2CCCOCC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095524250 525101058 /nfs/dbraw/zinc/10/10/58/525101058.db2.gz OLEMEISFQFFFKI-SFHVURJKSA-N 1 1 366.502 1.997 50 0 FDAAMO COc1ccc(C[NH+]2CCN(CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)cc1 ZINC000095958426 525110528 /nfs/dbraw/zinc/11/05/28/525110528.db2.gz LNYYOONFFXMBBX-KDURUIRLSA-N 1 1 369.465 1.722 50 0 FDAAMO CC(C)N1CCC[C@H]([NH+]2CCN(Cc3cn4cccnc4n3)CC2)C1=O ZINC000095999473 525115937 /nfs/dbraw/zinc/11/59/37/525115937.db2.gz BLHJZAFIWZZHAT-KRWDZBQOSA-N 1 1 356.474 1.246 50 0 FDAAMO CC(C)NC(=O)CC[NH+]1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000095999749 525116173 /nfs/dbraw/zinc/11/61/73/525116173.db2.gz TXQTXPIODFYEJG-LJQANCHMSA-N 1 1 372.513 1.714 50 0 FDAAMO Cc1ccc(-c2ccc(=O)n(CC(=O)NCCC[NH+]3CCOCC3)n2)cc1 ZINC000020723465 525743601 /nfs/dbraw/zinc/74/36/01/525743601.db2.gz ATRUJZYBULDEEH-UHFFFAOYSA-N 1 1 370.453 1.057 50 0 FDAAMO Cc1ccc(-c2nnc(CCC(=O)NCCC[NH+]3CCOCC3)o2)s1 ZINC000019837198 525843796 /nfs/dbraw/zinc/84/37/96/525843796.db2.gz LGNYUTMYOMQARF-UHFFFAOYSA-N 1 1 364.471 1.878 50 0 FDAAMO OCCn1c2ccccc2nc1N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000108269880 525943590 /nfs/dbraw/zinc/94/35/90/525943590.db2.gz BCBWHUFQQWXQHY-SFHVURJKSA-N 1 1 366.465 1.712 50 0 FDAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c2cccc(C)c2n1 ZINC000082097703 526267211 /nfs/dbraw/zinc/26/72/11/526267211.db2.gz MSEUQGCOUWYKHL-HNNXBMFYSA-N 1 1 354.454 1.779 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cnc(-c2cccs2)[nH]c1=O ZINC000091655883 526309896 /nfs/dbraw/zinc/30/98/96/526309896.db2.gz RWUBFEXIRRZRJX-LBPRGKRZSA-N 1 1 362.455 1.487 50 0 FDAAMO Cc1nc(C(C)C)sc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091320184 526675467 /nfs/dbraw/zinc/67/54/67/526675467.db2.gz YDBWSJIRUCSJLK-ZIAGYGMSSA-N 1 1 355.504 1.180 50 0 FDAAMO Cc1nc(C)c(C(=O)NCCNc2cc(-n3cc[nH+]c3C)ncn2)s1 ZINC000082230212 526697517 /nfs/dbraw/zinc/69/75/17/526697517.db2.gz NQSMVMLVZZWPAV-UHFFFAOYSA-N 1 1 357.443 1.886 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000299765810 528374443 /nfs/dbraw/zinc/37/44/43/528374443.db2.gz BPPUTARENASHFV-HNNXBMFYSA-N 1 1 362.474 1.665 50 0 FDAAMO CCOC(=O)N1CC[NH+]([C@H]2CCCN(c3ncnc4c3CCC4)C2)CC1 ZINC000072148578 535778851 /nfs/dbraw/zinc/77/88/51/535778851.db2.gz LKOFBQBBXAKCPX-HNNXBMFYSA-N 1 1 359.474 1.708 50 0 FDAAMO C[C@@H](C(=O)N[C@H](CO)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000183913416 536066412 /nfs/dbraw/zinc/06/64/12/536066412.db2.gz OUURDYTWDYABCA-SWLSCSKDSA-N 1 1 370.291 1.235 50 0 FDAAMO C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC[NH2+]1 ZINC000248094264 537166304 /nfs/dbraw/zinc/16/63/04/537166304.db2.gz WYRNBWHTRILCBJ-HZPDHXFCSA-N 1 1 355.486 1.606 50 0 FDAAMO O=C(C[C@H]1C[NH2+]CCO1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000215801680 537441749 /nfs/dbraw/zinc/44/17/49/537441749.db2.gz QOWWAGCCILPWQX-AWEZNQCLSA-N 1 1 360.845 1.993 50 0 FDAAMO O=C(C[C@@H]1CCc2ccccc21)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000216397275 537449269 /nfs/dbraw/zinc/44/92/69/537449269.db2.gz MERSZEDNMGIWIJ-INIZCTEOSA-N 1 1 355.482 1.966 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2cc3c(n(C)c2=O)CCCC3)CC1 ZINC000216332011 537449331 /nfs/dbraw/zinc/44/93/31/537449331.db2.gz NAZOBGZHXQZRGR-UHFFFAOYSA-N 1 1 354.454 1.979 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)C1 ZINC000219543665 537476666 /nfs/dbraw/zinc/47/66/66/537476666.db2.gz XAMVQQUHPXMBQQ-OAHLLOKOSA-N 1 1 367.453 1.402 50 0 FDAAMO C[N@@H+]1CCC[C@@H](C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)C1 ZINC000219543665 537476675 /nfs/dbraw/zinc/47/66/75/537476675.db2.gz XAMVQQUHPXMBQQ-OAHLLOKOSA-N 1 1 367.453 1.402 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)C1 ZINC000219543665 537476680 /nfs/dbraw/zinc/47/66/80/537476680.db2.gz XAMVQQUHPXMBQQ-OAHLLOKOSA-N 1 1 367.453 1.402 50 0 FDAAMO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCN(C2CCOCC2)CC1 ZINC000219866413 537480995 /nfs/dbraw/zinc/48/09/95/537480995.db2.gz ZJSSHKMOSWTKEN-UHFFFAOYSA-N 1 1 361.486 1.815 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000220303816 537485395 /nfs/dbraw/zinc/48/53/95/537485395.db2.gz OZHSTSKOLRAIDF-QGZVFWFLSA-N 1 1 371.441 1.294 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000220303816 537485402 /nfs/dbraw/zinc/48/54/02/537485402.db2.gz OZHSTSKOLRAIDF-QGZVFWFLSA-N 1 1 371.441 1.294 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCCc1nc(C2CC2)no1 ZINC000221180827 537496433 /nfs/dbraw/zinc/49/64/33/537496433.db2.gz OXUHGMVVTZSOTM-QGZVFWFLSA-N 1 1 370.453 1.897 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCCc1nc(C2CC2)no1 ZINC000221180827 537496450 /nfs/dbraw/zinc/49/64/50/537496450.db2.gz OXUHGMVVTZSOTM-QGZVFWFLSA-N 1 1 370.453 1.897 50 0 FDAAMO CC(C)(CN1CCOCC1)C[N@H+]1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000221299388 537498431 /nfs/dbraw/zinc/49/84/31/537498431.db2.gz UZNMIZTUSBQELN-IBGZPJMESA-N 1 1 362.518 1.891 50 0 FDAAMO CC(C)(CN1CCCn2nc([C@@H](O)C3CC3)cc2C1)C[NH+]1CCOCC1 ZINC000221299388 537498440 /nfs/dbraw/zinc/49/84/40/537498440.db2.gz UZNMIZTUSBQELN-IBGZPJMESA-N 1 1 362.518 1.891 50 0 FDAAMO CCOC(=O)[C@H](C)C[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000229381808 537574645 /nfs/dbraw/zinc/57/46/45/537574645.db2.gz KVLVGKAWTGSZMT-BRWVUGGUSA-N 1 1 353.507 1.308 50 0 FDAAMO CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000229580024 537575168 /nfs/dbraw/zinc/57/51/68/537575168.db2.gz HPEYLKQBQMYXQL-GQIGUUNPSA-N 1 1 373.497 1.923 50 0 FDAAMO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cn1 ZINC000237166974 537615875 /nfs/dbraw/zinc/61/58/75/537615875.db2.gz BZIWXVCWQLIUFX-LLVKDONJSA-N 1 1 370.862 1.517 50 0 FDAAMO CN1C[C@@]2(CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)OC1=O ZINC000244724387 537651356 /nfs/dbraw/zinc/65/13/56/537651356.db2.gz MSXDXJQAEOWJHZ-OAQYLSRUSA-N 1 1 372.513 1.721 50 0 FDAAMO CN1C[C@@]2(CCC[N@H+](CCN3CCN(Cc4ccccc4)CC3)C2)OC1=O ZINC000244724387 537651361 /nfs/dbraw/zinc/65/13/61/537651361.db2.gz MSXDXJQAEOWJHZ-OAQYLSRUSA-N 1 1 372.513 1.721 50 0 FDAAMO O=C(CSc1ccccn1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244796143 537653494 /nfs/dbraw/zinc/65/34/94/537653494.db2.gz RTWNRFLFZYJLMJ-HZPDHXFCSA-N 1 1 358.467 1.320 50 0 FDAAMO O=C(CSc1ccccn1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244796143 537653498 /nfs/dbraw/zinc/65/34/98/537653498.db2.gz RTWNRFLFZYJLMJ-HZPDHXFCSA-N 1 1 358.467 1.320 50 0 FDAAMO COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1OC ZINC000426728259 538126008 /nfs/dbraw/zinc/12/60/08/538126008.db2.gz JNHGYWULBGSJAT-ZFWWWQNUSA-N 1 1 363.418 1.506 50 0 FDAAMO CCC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000426739793 538126559 /nfs/dbraw/zinc/12/65/59/538126559.db2.gz QLRVQONEPRTRRM-INIZCTEOSA-N 1 1 371.489 1.435 50 0 FDAAMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2n[nH]c3c2CCCC3)CCC[N@H+]1C ZINC000583620999 551377874 /nfs/dbraw/zinc/37/78/74/551377874.db2.gz GKMIDZSULQHSAT-SCLBCKFNSA-N 1 1 356.474 1.835 50 0 FDAAMO CCCc1csc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000271969487 674401153 /nfs/dbraw/zinc/40/11/53/674401153.db2.gz HJGOTMYJVMUDJF-UHFFFAOYSA-N 1 1 353.492 1.770 50 0 FDAAMO Cc1cc(=O)c2cccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2[nH]1 ZINC000426411141 570449957 /nfs/dbraw/zinc/44/99/57/570449957.db2.gz BMUQZYVVRAZTGU-CYBMUJFWSA-N 1 1 356.426 1.176 50 0 FDAAMO CC[N@H+]1CCC[C@@](C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000426490279 570607588 /nfs/dbraw/zinc/60/75/88/570607588.db2.gz VWZDOBCXBWOVGK-LJQANCHMSA-N 1 1 356.474 1.500 50 0 FDAAMO O=C(NCc1nc2cc(Cl)ccc2[nH]1)N1CC[NH+](CCCO)CC1 ZINC000426552011 570615821 /nfs/dbraw/zinc/61/58/21/570615821.db2.gz QLXDFMZGWZIJBM-UHFFFAOYSA-N 1 1 351.838 1.426 50 0 FDAAMO CC(C)C[C@H](CNC(=O)c1cnn(CC(F)(F)F)c1)[NH+]1CCOCC1 ZINC000252571294 570623376 /nfs/dbraw/zinc/62/33/76/570623376.db2.gz XROWYNYECZBPKB-CQSZACIVSA-N 1 1 362.396 1.922 50 0 FDAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(=O)[nH]n2)C[C@H](C)O1 ZINC000048324469 570945534 /nfs/dbraw/zinc/94/55/34/570945534.db2.gz ZTNFQLAVPGEXSZ-KBPBESRZSA-N 1 1 356.426 1.721 50 0 FDAAMO Cc1cc(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)ccc1F ZINC000426618376 571130559 /nfs/dbraw/zinc/13/05/59/571130559.db2.gz QAVMPAMIZSGESW-CQSZACIVSA-N 1 1 358.417 2.221 50 0 FDAAMO O=C(COc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000252483790 571131850 /nfs/dbraw/zinc/13/18/50/571131850.db2.gz FIJNKISASVVBFA-QZTJIDSGSA-N 1 1 359.401 1.351 50 0 FDAAMO O=C(COc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000252483790 571131851 /nfs/dbraw/zinc/13/18/51/571131851.db2.gz FIJNKISASVVBFA-QZTJIDSGSA-N 1 1 359.401 1.351 50 0 FDAAMO C[N@H+](CCC(=O)N1CC=C(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000252482671 571131873 /nfs/dbraw/zinc/13/18/73/571131873.db2.gz DLWSTVQLSPIXMW-SFHVURJKSA-N 1 1 362.495 1.811 50 0 FDAAMO C[N@@H+](CCC(=O)N1CC=C(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000252482671 571131874 /nfs/dbraw/zinc/13/18/74/571131874.db2.gz DLWSTVQLSPIXMW-SFHVURJKSA-N 1 1 362.495 1.811 50 0 FDAAMO OC1CN(c2nc(NCCOCc3ccccc3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426381821 571132631 /nfs/dbraw/zinc/13/26/31/571132631.db2.gz WBFHWDLOJUEOOO-INIZCTEOSA-N 1 1 370.453 1.790 50 0 FDAAMO Cc1[nH+]c(N)nc(N[C@H]2C[C@@H](c3nnc(CN(C)C)n3C)C2)c1Cl ZINC000252537294 571134402 /nfs/dbraw/zinc/13/44/02/571134402.db2.gz KXHFLIYFCUYRRK-AOOOYVTPSA-N 1 1 350.858 1.569 50 0 FDAAMO Cn1c2ccccc2nc1NC(=O)c1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000067948057 571135110 /nfs/dbraw/zinc/13/51/10/571135110.db2.gz LBUIOVIKAFEOLM-INIZCTEOSA-N 1 1 350.422 2.392 50 0 FDAAMO C[C@@H](C[N@@H+](C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)N1CCOCC1 ZINC000253536186 571137431 /nfs/dbraw/zinc/13/74/31/571137431.db2.gz BEZGLRUDMRJWSI-ZDUSSCGKSA-N 1 1 358.442 1.192 50 0 FDAAMO OCCNc1nc(NCc2cccc3[nH]ccc32)cc([C@@H]2CCOC2)[nH+]1 ZINC000426387891 571218396 /nfs/dbraw/zinc/21/83/96/571218396.db2.gz PJTWMKIHGWECTR-CQSZACIVSA-N 1 1 353.426 1.322 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(-c2cnc(=O)[nH]c2)cc1 ZINC000426388343 571218617 /nfs/dbraw/zinc/21/86/17/571218617.db2.gz BMQHSDVSWDTYAC-CQSZACIVSA-N 1 1 356.426 1.283 50 0 FDAAMO Cc1ccc(OC(C)(C)C(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000426388018 571218693 /nfs/dbraw/zinc/21/86/93/571218693.db2.gz SUIYNJMCQNBMSG-ROUUACIJSA-N 1 1 362.470 1.446 50 0 FDAAMO Cc1ccc(OC(C)(C)C(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000426388018 571218695 /nfs/dbraw/zinc/21/86/95/571218695.db2.gz SUIYNJMCQNBMSG-ROUUACIJSA-N 1 1 362.470 1.446 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000426501903 571228948 /nfs/dbraw/zinc/22/89/48/571228948.db2.gz RNHSULWJRHRGIT-FQEVSTJZSA-N 1 1 374.529 1.881 50 0 FDAAMO Cc1[nH]nc2c1CN(C(=O)NCC1([NH+]3CCN(C)CC3)CCCCC1)CC2 ZINC000426518955 571229929 /nfs/dbraw/zinc/22/99/29/571229929.db2.gz KOWKVCDQVJJLCM-UHFFFAOYSA-N 1 1 374.533 1.736 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc3scnc3c1)CC2 ZINC000426527095 571230175 /nfs/dbraw/zinc/23/01/75/571230175.db2.gz WXVIQGAKKPQZCG-UHFFFAOYSA-N 1 1 358.467 1.723 50 0 FDAAMO C[C@@H](c1ccc(-c2nc(N3CCOCC3)n(C)n2)cc1)[NH+]1CCOCC1 ZINC000426571545 571231879 /nfs/dbraw/zinc/23/18/79/571231879.db2.gz CJZOLKMTKKBTND-HNNXBMFYSA-N 1 1 357.458 1.712 50 0 FDAAMO CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O ZINC000670461004 571356875 /nfs/dbraw/zinc/35/68/75/571356875.db2.gz YRQODWVWHDLTHA-GFCCVEGCSA-N 1 1 364.471 1.159 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccc3F)C[C@H]2O)CC1 ZINC000023358944 670704129 /nfs/dbraw/zinc/70/41/29/670704129.db2.gz DVCXLZQCBQELRC-HZPDHXFCSA-N 1 1 355.841 1.302 50 0 FDAAMO CCCn1c(C)c[nH+]c1C[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000169788063 672042019 /nfs/dbraw/zinc/04/20/19/672042019.db2.gz NBAGWXLWIPFUEQ-HNNXBMFYSA-N 1 1 365.503 1.978 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)c(Cl)c1OC ZINC000257180860 672629837 /nfs/dbraw/zinc/62/98/37/672629837.db2.gz DXQJGMGOJYNLOW-QWHCGFSZSA-N 1 1 356.850 1.486 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO)c1ccc2ccccc2n1 ZINC000257186300 793960131 /nfs/dbraw/zinc/96/01/31/793960131.db2.gz KHMWDTPDETZFHP-HNAYVOBHSA-N 1 1 355.438 1.436 50 0 FDAAMO CCC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)C1 ZINC000675009797 795206396 /nfs/dbraw/zinc/20/63/96/795206396.db2.gz FRSYBMGLHJPJBP-MRXNPFEDSA-N 1 1 354.458 1.805 50 0 FDAAMO O=C(CCO)N1CCC([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2cccnc2)CC1 ZINC000675012804 795215239 /nfs/dbraw/zinc/21/52/39/795215239.db2.gz STRXAOGRIZDIIF-HXUWFJFHSA-N 1 1 369.469 1.525 50 0 FDAAMO O=C(CCO)N1CCC([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2cccnc2)CC1 ZINC000675012804 795215243 /nfs/dbraw/zinc/21/52/43/795215243.db2.gz STRXAOGRIZDIIF-HXUWFJFHSA-N 1 1 369.469 1.525 50 0 FDAAMO Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000046054134 863446507 /nfs/dbraw/zinc/44/65/07/863446507.db2.gz YACHYIBNCVOKHA-MRXNPFEDSA-N 1 1 372.860 1.872 50 0 FDAAMO Cc1cnc(C(=O)N2CCC3(C[C@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cn1 ZINC000169787120 864517108 /nfs/dbraw/zinc/51/71/08/864517108.db2.gz WZWPIIWDOHTIQV-QGZVFWFLSA-N 1 1 373.501 1.044 50 0 FDAAMO O=C(COc1ccc(F)cc1)N1CCC2(C[C@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000169787687 864518235 /nfs/dbraw/zinc/51/82/35/864518235.db2.gz VLUNBRCJJLFUHP-INIZCTEOSA-N 1 1 361.417 1.017 50 0 FDAAMO CCn1cc(C[N@@H+](C)[C@@H]2CCc3nn(CC4CC4)c(=O)n3CC2)c(C)n1 ZINC000169783434 864527069 /nfs/dbraw/zinc/52/70/69/864527069.db2.gz BXVJAFSRJLYGPW-QGZVFWFLSA-N 1 1 358.490 1.817 50 0 FDAAMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000183774656 896379933 /nfs/dbraw/zinc/37/99/33/896379933.db2.gz LLTOFENZFSPOOZ-SFHVURJKSA-N 1 1 372.469 1.493 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000063857035 901697276 /nfs/dbraw/zinc/69/72/76/901697276.db2.gz BAJVBZWNUQWJEG-INIZCTEOSA-N 1 1 358.442 1.972 50 0 FDAAMO C[NH+](C)CC(=O)Nc1ccccc1NC(=O)Cn1nc2ccccc2n1 ZINC000823678683 922001826 /nfs/dbraw/zinc/00/18/26/922001826.db2.gz SXZNVPSHXNWAEE-UHFFFAOYSA-N 1 1 352.398 1.570 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)C1 ZINC000823769822 922047797 /nfs/dbraw/zinc/04/77/97/922047797.db2.gz FROJEYSSERUCGY-HNNXBMFYSA-N 1 1 361.442 1.205 50 0 FDAAMO C[N@H+]1CCCC[C@H]1Cc1nc(CC(N)=O)nn1-c1ccc2c(c1)CCC2 ZINC000826841926 924329511 /nfs/dbraw/zinc/32/95/11/924329511.db2.gz FAJBCMZEGZPGSC-INIZCTEOSA-N 1 1 353.470 1.811 50 0 FDAAMO Cc1nn[nH]c1C(=O)N1CCOC2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000828214610 924851252 /nfs/dbraw/zinc/85/12/52/924851252.db2.gz MWJBDHGDOBSCPL-UHFFFAOYSA-N 1 1 361.471 1.682 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@H](c4nc(C)no4)[N@H+](C)C3)CC2)nn1C ZINC000581803264 927600237 /nfs/dbraw/zinc/60/02/37/927600237.db2.gz XQXDPNJNKNIZSG-OAHLLOKOSA-N 1 1 358.446 1.719 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@H](c4nc(C)no4)[N@@H+](C)C3)CC2)nn1C ZINC000581803264 927600240 /nfs/dbraw/zinc/60/02/40/927600240.db2.gz XQXDPNJNKNIZSG-OAHLLOKOSA-N 1 1 358.446 1.719 50 0 FDAAMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000585138477 944425845 /nfs/dbraw/zinc/42/58/45/944425845.db2.gz UWXGCXIVCPSQCB-XJKSGUPXSA-N 1 1 352.442 1.813 50 0 FDAAMO O=c1ccc(-c2cccnc2)nn1CC1CN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000585605564 952905752 /nfs/dbraw/zinc/90/57/52/952905752.db2.gz DIGCNUSFNXZLBK-UHFFFAOYSA-N 1 1 359.393 1.713 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000952963479 960246172 /nfs/dbraw/zinc/24/61/72/960246172.db2.gz KKJWZNLJECNIPJ-JSGCOSHPSA-N 1 1 373.375 1.052 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000952968677 960284164 /nfs/dbraw/zinc/28/41/64/960284164.db2.gz DCPLXLNHSRWKQQ-IAGOWNOFSA-N 1 1 361.461 1.804 50 0 FDAAMO CCc1c(C)nn(CC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1C ZINC000952984894 960303185 /nfs/dbraw/zinc/30/31/85/960303185.db2.gz UERVHWUMCWKMLY-KRWDZBQOSA-N 1 1 350.507 1.614 50 0 FDAAMO Nc1nc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)cc[nH+]1 ZINC000091769705 1006833021 /nfs/dbraw/zinc/83/30/21/1006833021.db2.gz OITZADQCNCAIPM-UHFFFAOYSA-N 1 1 353.430 1.072 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO)c1cccnc1 ZINC000253411166 1008786312 /nfs/dbraw/zinc/78/63/12/1008786312.db2.gz OHJHHGREDWJCFE-ZWKOTPCHSA-N 1 1 353.422 1.239 50 0 FDAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3csc(CN)n3)CC2)C[C@H](C)O1 ZINC000237604789 178322063 /nfs/dbraw/zinc/32/20/63/178322063.db2.gz KPBHRNDDNJTGRE-BETUJISGSA-N 1 1 352.504 1.563 50 0 FDAAMO CC(C)[C@H](C(=O)N1CCN(c2cccnn2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245198417 178352639 /nfs/dbraw/zinc/35/26/39/178352639.db2.gz CMESZNRIFVGKFG-JFIYKMOQSA-N 1 1 361.490 1.259 50 0 FDAAMO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccn(C)c3=O)CC2)c1 ZINC000264221160 179053131 /nfs/dbraw/zinc/05/31/31/179053131.db2.gz JXFAGDSERBENFX-OAHLLOKOSA-N 1 1 355.438 1.913 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN1CC2=C(C1=O)[C@@H](c1ccc(C)cc1)NC(=O)N2 ZINC000226356200 222885825 /nfs/dbraw/zinc/88/58/25/222885825.db2.gz IXBCUALKWVVOPR-CRAIPNDOSA-N 1 1 354.454 1.930 50 0 FDAAMO CC[C@H](CNC(=O)N1CCCN(c2ccccc2)CC1)[NH+]1CCN(C)CC1 ZINC000534582614 540384674 /nfs/dbraw/zinc/38/46/74/540384674.db2.gz OLJSWMYIDWSABN-LJQANCHMSA-N 1 1 373.545 1.934 50 0 FDAAMO CC[C@H](CNC(=O)N(C)Cc1noc(CC(C)C)n1)[NH+]1CCN(C)CC1 ZINC000534581647 540384793 /nfs/dbraw/zinc/38/47/93/540384793.db2.gz ZQQNGHXVIRFEGU-OAHLLOKOSA-N 1 1 366.510 1.436 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2nc(C)cc(NC)n2)c1 ZINC000534648386 540394095 /nfs/dbraw/zinc/39/40/95/540394095.db2.gz JTRFZPITWHBKEF-IRXDYDNUSA-N 1 1 369.469 1.943 50 0 FDAAMO OC1CN(c2nc(NCCNc3cccnc3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299763641 223086897 /nfs/dbraw/zinc/08/68/97/223086897.db2.gz PYWXVSTZTZINMF-ZDUSSCGKSA-N 1 1 356.430 1.080 50 0 FDAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)n1 ZINC000299784552 223096971 /nfs/dbraw/zinc/09/69/71/223096971.db2.gz HEIUEOAEULANGN-XHSDSOJGSA-N 1 1 367.453 1.649 50 0 FDAAMO O=C(C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1)N1CCc2ccccc2C1 ZINC000299788324 223097593 /nfs/dbraw/zinc/09/75/93/223097593.db2.gz UCILYTNBDWPFAL-SFHVURJKSA-N 1 1 362.495 1.470 50 0 FDAAMO Cc1nc(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)n(C)c1C ZINC000299771829 223088990 /nfs/dbraw/zinc/08/89/90/223088990.db2.gz VWVVNVKMGGLUPP-ZDUSSCGKSA-N 1 1 358.446 1.124 50 0 FDAAMO Cc1cc(C)n2nc(CC(=O)NC[C@H]3Cc4ccccc4C[N@@H+]3C)nc2n1 ZINC000299787919 223098362 /nfs/dbraw/zinc/09/83/62/223098362.db2.gz TZBAIBMJHVTPQX-QGZVFWFLSA-N 1 1 364.453 1.457 50 0 FDAAMO Cc1cc(C)n(CCC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000299791016 223099490 /nfs/dbraw/zinc/09/94/90/223099490.db2.gz BYUAYUHKDKDCGN-GOSISDBHSA-N 1 1 369.469 1.426 50 0 FDAAMO Cc1cc(C)n(CCC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000299791016 223099494 /nfs/dbraw/zinc/09/94/94/223099494.db2.gz BYUAYUHKDKDCGN-GOSISDBHSA-N 1 1 369.469 1.426 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CCC(F)(F)C(F)F)C[C@H]2O)no1 ZINC000299793984 223100208 /nfs/dbraw/zinc/10/02/08/223100208.db2.gz IVOWQDTYXDZPKN-MWLCHTKSSA-N 1 1 353.316 1.439 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CNC(C)=O)C1 ZINC000012571513 220007746 /nfs/dbraw/zinc/00/77/46/220007746.db2.gz YPSBQNBEFKMUEP-KRWDZBQOSA-N 1 1 361.486 1.544 50 0 FDAAMO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 ZINC000013371769 220066394 /nfs/dbraw/zinc/06/63/94/220066394.db2.gz SVINFLQGJHSBKK-GJZGRUSLSA-N 1 1 363.476 1.463 50 0 FDAAMO O=S1(=O)C[C@H]([NH2+]CCC2CCN(Cc3ccccc3)CC2)[C@H](O)C1 ZINC000013725266 220090520 /nfs/dbraw/zinc/09/05/20/220090520.db2.gz JFETWLBYAQPVFG-ZWKOTPCHSA-N 1 1 352.500 1.036 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cn2cncn2)C1 ZINC000014975748 220138991 /nfs/dbraw/zinc/13/89/91/220138991.db2.gz HYEYWANMEYQXPY-KRWDZBQOSA-N 1 1 371.485 1.700 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(Cn2ccc3ccccc32)n[nH]1 ZINC000019224157 220240403 /nfs/dbraw/zinc/24/04/03/220240403.db2.gz QSLVWFTVNZLAKP-UHFFFAOYSA-N 1 1 367.453 1.865 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000019527823 220268998 /nfs/dbraw/zinc/26/89/98/220268998.db2.gz JJIVMJIAAZOHIO-UHFFFAOYSA-N 1 1 353.488 1.234 50 0 FDAAMO COC(C)(C)C[NH2+]Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000019742534 220292224 /nfs/dbraw/zinc/29/22/24/220292224.db2.gz HTGKQSGTBGDRTM-SFHVURJKSA-N 1 1 365.518 1.188 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccccc1)CC2)c1ccccn1 ZINC000019835849 220300829 /nfs/dbraw/zinc/30/08/29/220300829.db2.gz LEXFFGJFHQWBHO-UHFFFAOYSA-N 1 1 362.437 1.661 50 0 FDAAMO COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000020051530 220310776 /nfs/dbraw/zinc/31/07/76/220310776.db2.gz HMUZYWWDNXUWTC-KRWDZBQOSA-N 1 1 358.442 1.023 50 0 FDAAMO O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020572695 220332466 /nfs/dbraw/zinc/33/24/66/220332466.db2.gz LGJXKGUFVDBTEY-UHFFFAOYSA-N 1 1 364.405 1.174 50 0 FDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c2c1-c1ccccc1OC2 ZINC000020901999 220344844 /nfs/dbraw/zinc/34/48/44/220344844.db2.gz YDJQFAXAKYSXLN-UHFFFAOYSA-N 1 1 356.426 1.432 50 0 FDAAMO CC(C)(C)CN1CCC[C@](O)(C[NH+]2CCN(C3CCCC3)CC2)C1=O ZINC000020997343 220347708 /nfs/dbraw/zinc/34/77/08/220347708.db2.gz MUIHVKGRQZUNIL-FQEVSTJZSA-N 1 1 351.535 1.946 50 0 FDAAMO O=C(CNC(=O)c1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005381 220347989 /nfs/dbraw/zinc/34/79/89/220347989.db2.gz WDHRVDGFRGQEAS-UHFFFAOYSA-N 1 1 355.413 1.900 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cn3cncn3)cc2)C[C@@H](C)O1 ZINC000021064654 220351021 /nfs/dbraw/zinc/35/10/21/220351021.db2.gz CSBYRSZKYOLFDC-HZPDHXFCSA-N 1 1 371.485 1.944 50 0 FDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2n[nH]c(=O)c3ccccc32)C[C@H](C)O1 ZINC000021526034 220359757 /nfs/dbraw/zinc/35/97/57/220359757.db2.gz DSZLUBUDVRZMAC-STQMWFEESA-N 1 1 358.442 1.541 50 0 FDAAMO CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000022714552 220395961 /nfs/dbraw/zinc/39/59/61/220395961.db2.gz YWLYIVLFNNGMKE-UHFFFAOYSA-N 1 1 365.437 1.546 50 0 FDAAMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048310063 221006270 /nfs/dbraw/zinc/00/62/70/221006270.db2.gz JYIIJTZSINTXRW-ZDUSSCGKSA-N 1 1 370.500 1.050 50 0 FDAAMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048310063 221006272 /nfs/dbraw/zinc/00/62/72/221006272.db2.gz JYIIJTZSINTXRW-ZDUSSCGKSA-N 1 1 370.500 1.050 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000048277394 221004096 /nfs/dbraw/zinc/00/40/96/221004096.db2.gz RYHXMLYOMFUSIZ-LJQANCHMSA-N 1 1 369.440 2.000 50 0 FDAAMO C[N@H+]1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000048277394 221004099 /nfs/dbraw/zinc/00/40/99/221004099.db2.gz RYHXMLYOMFUSIZ-LJQANCHMSA-N 1 1 369.440 2.000 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000052804986 221040889 /nfs/dbraw/zinc/04/08/89/221040889.db2.gz KUPASLOOEYGBMF-OAHLLOKOSA-N 1 1 364.515 1.631 50 0 FDAAMO CCN(CCC[NH+]1CCOCC1)C(=O)C(C)(C)NC(=O)c1cccs1 ZINC000055036288 221057775 /nfs/dbraw/zinc/05/77/75/221057775.db2.gz OHAFARANVXTXEP-UHFFFAOYSA-N 1 1 367.515 1.827 50 0 FDAAMO O=C(CCNC(=O)c1ccccc1F)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000055109415 221058972 /nfs/dbraw/zinc/05/89/72/221058972.db2.gz WBFGDSZFTSTFHK-HNNXBMFYSA-N 1 1 365.449 1.299 50 0 FDAAMO Cc1ccc2nc(CCCNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)oc2c1 ZINC000055036671 221057388 /nfs/dbraw/zinc/05/73/88/221057388.db2.gz PMHGCFKEEWNTJU-CQSZACIVSA-N 1 1 358.442 1.382 50 0 FDAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCC2)cc1 ZINC000055408377 221069669 /nfs/dbraw/zinc/06/96/69/221069669.db2.gz JVVGUUOCDYJLHY-IRXDYDNUSA-N 1 1 371.524 1.857 50 0 FDAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000058328460 221115208 /nfs/dbraw/zinc/11/52/08/221115208.db2.gz VYKNPLMVXNWTPV-CYBMUJFWSA-N 1 1 356.492 1.789 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000065272857 221192166 /nfs/dbraw/zinc/19/21/66/221192166.db2.gz LCWGCDYZZUOILW-AWEZNQCLSA-N 1 1 361.511 1.863 50 0 FDAAMO CNc1nc(N2CCC(CC(=O)NCCCN3CCCC3=O)CC2)cc[nH+]1 ZINC000065282128 221193058 /nfs/dbraw/zinc/19/30/58/221193058.db2.gz MDGOSELSVVGLJX-UHFFFAOYSA-N 1 1 374.489 1.254 50 0 FDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(N(C)S(C)(=O)=O)c2)C1 ZINC000065363561 221202599 /nfs/dbraw/zinc/20/25/99/221202599.db2.gz QWYCTGDYRIOBNW-HNNXBMFYSA-N 1 1 367.515 1.934 50 0 FDAAMO O[C@H]1CCN(c2ccnc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)C1 ZINC000065403572 221213009 /nfs/dbraw/zinc/21/30/09/221213009.db2.gz HBELWTCZSOSXGZ-QTWIXLPOSA-N 1 1 365.481 1.883 50 0 FDAAMO Cc1cccc([C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c1 ZINC000065460109 221221285 /nfs/dbraw/zinc/22/12/85/221221285.db2.gz VRHPTSSDTNGHGZ-INIZCTEOSA-N 1 1 353.488 1.138 50 0 FDAAMO C[N@H+]1CCCN(c2ncccc2CNC(=O)[C@H](O)c2ccc(F)cc2)CC1 ZINC000067458729 221256193 /nfs/dbraw/zinc/25/61/93/221256193.db2.gz GHNPMNPXOHMLSN-GOSISDBHSA-N 1 1 372.444 1.712 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000067654402 221266135 /nfs/dbraw/zinc/26/61/35/221266135.db2.gz CMPATAPZWOGOSP-HNNXBMFYSA-N 1 1 358.442 1.753 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000067601763 221260224 /nfs/dbraw/zinc/26/02/24/221260224.db2.gz GTROENGDRVPJEO-JKSUJKDBSA-N 1 1 359.536 1.286 50 0 FDAAMO COCC(=O)N1CCC2(CC1)C[N@@H+](CCCc1ccccc1)CCN2C ZINC000067676205 221269048 /nfs/dbraw/zinc/26/90/48/221269048.db2.gz CRYRTCMCOQYEHX-UHFFFAOYSA-N 1 1 359.514 1.874 50 0 FDAAMO Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1CCC[NH+](CCO)CCO ZINC000067688527 221270707 /nfs/dbraw/zinc/27/07/07/221270707.db2.gz ZVWXLAYJEMZMIY-UHFFFAOYSA-N 1 1 369.469 1.925 50 0 FDAAMO CN1CCN(C(=O)c2ccnc(N3CCC[C@@]4(CC[N@@H+](C)C4)C3)c2)CC1 ZINC000067819139 221290302 /nfs/dbraw/zinc/29/03/02/221290302.db2.gz GUQGXIGCQXOIBP-FQEVSTJZSA-N 1 1 357.502 1.391 50 0 FDAAMO COCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(C(=O)OC)n3)C2)C1 ZINC000067804043 221286680 /nfs/dbraw/zinc/28/66/80/221286680.db2.gz PMQXHPRJQZXAET-IBGZPJMESA-N 1 1 361.442 1.329 50 0 FDAAMO C[N@@H+](CCc1cn[nH]c1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067973808 221311097 /nfs/dbraw/zinc/31/10/97/221311097.db2.gz FTKDETFTODCIJU-LJQANCHMSA-N 1 1 360.433 1.577 50 0 FDAAMO CS(=O)(=O)NCCc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000069741169 221328614 /nfs/dbraw/zinc/32/86/14/221328614.db2.gz HONUIZWQSFYBOL-LBPRGKRZSA-N 1 1 371.528 1.054 50 0 FDAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)[nH]n1 ZINC000071589503 221352348 /nfs/dbraw/zinc/35/23/48/221352348.db2.gz JVTGZTXCYUSDQS-MRXNPFEDSA-N 1 1 373.501 1.447 50 0 FDAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)n[nH]1 ZINC000071589503 221352350 /nfs/dbraw/zinc/35/23/50/221352350.db2.gz JVTGZTXCYUSDQS-MRXNPFEDSA-N 1 1 373.501 1.447 50 0 FDAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)n[nH]1 ZINC000071589503 221352353 /nfs/dbraw/zinc/35/23/53/221352353.db2.gz JVTGZTXCYUSDQS-MRXNPFEDSA-N 1 1 373.501 1.447 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1 ZINC000071754417 221364971 /nfs/dbraw/zinc/36/49/71/221364971.db2.gz NHGWSOATVCWLHE-LJQANCHMSA-N 1 1 371.529 1.190 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1 ZINC000071754417 221364973 /nfs/dbraw/zinc/36/49/73/221364973.db2.gz NHGWSOATVCWLHE-LJQANCHMSA-N 1 1 371.529 1.190 50 0 FDAAMO Cc1cccn2c(CN(C)[C@@H]3CC[N@@H+](C)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071754621 221365739 /nfs/dbraw/zinc/36/57/39/221365739.db2.gz BWPZYTVJGNTAIF-MRXNPFEDSA-N 1 1 371.485 1.251 50 0 FDAAMO NC(=O)[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCCC3)nc3sccn23)C1 ZINC000071763810 221370577 /nfs/dbraw/zinc/37/05/77/221370577.db2.gz HHKUPJWIQCUHCH-LBPRGKRZSA-N 1 1 361.471 1.329 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCC3)nc3sccn23)C1 ZINC000071763810 221370581 /nfs/dbraw/zinc/37/05/81/221370581.db2.gz HHKUPJWIQCUHCH-LBPRGKRZSA-N 1 1 361.471 1.329 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000071767457 221372448 /nfs/dbraw/zinc/37/24/48/221372448.db2.gz DUPRCCXVWYBDGA-INIZCTEOSA-N 1 1 356.470 1.677 50 0 FDAAMO COc1cccc(CN2CCN(C(=O)Cn3c[nH+]c(C)c3C)CC2=O)c1 ZINC000299792518 533480026 /nfs/dbraw/zinc/48/00/26/533480026.db2.gz GCEPAHHIDRZASM-UHFFFAOYSA-N 1 1 356.426 1.380 50 0 FDAAMO O[C@@H]1COCC[N@@H+](CCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000077376309 132182682 /nfs/dbraw/zinc/18/26/82/132182682.db2.gz LOUFUXFCEDKGHT-SFHVURJKSA-N 1 1 353.894 1.545 50 0 FDAAMO O[C@@H]1COCCN(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000077376309 132182686 /nfs/dbraw/zinc/18/26/86/132182686.db2.gz LOUFUXFCEDKGHT-SFHVURJKSA-N 1 1 353.894 1.545 50 0 FDAAMO Nc1cc[nH+]c(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 ZINC000091906946 132204871 /nfs/dbraw/zinc/20/48/71/132204871.db2.gz ACXRVUVGJGIWQN-UHFFFAOYSA-N 1 1 353.430 1.072 50 0 FDAAMO CN(Cc1nc(-c2ccncc2)no1)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000096162794 132221386 /nfs/dbraw/zinc/22/13/86/132221386.db2.gz ZOGVPBRMNARMIY-UHFFFAOYSA-N 1 1 367.413 1.519 50 0 FDAAMO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1Cn1cncn1 ZINC000215552797 132270245 /nfs/dbraw/zinc/27/02/45/132270245.db2.gz NERBTSHKRANOSS-UHFFFAOYSA-N 1 1 365.441 1.447 50 0 FDAAMO OC1CCN(c2cc[nH+]c(N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n2)CC1 ZINC000220397321 132275889 /nfs/dbraw/zinc/27/58/89/132275889.db2.gz JQOSBLDEFITSAB-DDUZABMNSA-N 1 1 355.442 1.757 50 0 FDAAMO Cc1nc2c(cnn2-c2cccc(Cl)c2)c(N2CC[NH+](CCO)CC2)n1 ZINC000058162242 136130581 /nfs/dbraw/zinc/13/05/81/136130581.db2.gz IPMLUFHMYVDGBB-UHFFFAOYSA-N 1 1 372.860 1.892 50 0 FDAAMO Cc1cc(C)c2c(n1)SCCN2C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000064816866 136133896 /nfs/dbraw/zinc/13/38/96/136133896.db2.gz RCSWUUWQTCNUKJ-UHFFFAOYSA-N 1 1 363.487 1.094 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3ccc(C)nn3)CC2)C1 ZINC000071662217 136139694 /nfs/dbraw/zinc/13/96/94/136139694.db2.gz GRWSUNVPGWOGGN-INIZCTEOSA-N 1 1 361.490 1.228 50 0 FDAAMO CCNC(=O)C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072135369 136142489 /nfs/dbraw/zinc/14/24/89/136142489.db2.gz NIJZIOHBVIEULJ-QGZVFWFLSA-N 1 1 360.502 1.418 50 0 FDAAMO CCNC(=O)C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072135369 136142490 /nfs/dbraw/zinc/14/24/90/136142490.db2.gz NIJZIOHBVIEULJ-QGZVFWFLSA-N 1 1 360.502 1.418 50 0 FDAAMO CCNC(=O)CN1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072135369 136142491 /nfs/dbraw/zinc/14/24/91/136142491.db2.gz NIJZIOHBVIEULJ-QGZVFWFLSA-N 1 1 360.502 1.418 50 0 FDAAMO CNc1nc(N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)[nH+]c2c1CCC2 ZINC000072434465 136147191 /nfs/dbraw/zinc/14/71/91/136147191.db2.gz BPUNUEXSCRPNSQ-CYBMUJFWSA-N 1 1 370.505 1.581 50 0 FDAAMO CCOCCn1c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2[nH]c1=O ZINC000077537966 221642660 /nfs/dbraw/zinc/64/26/60/221642660.db2.gz MNHXXUZZZNTPPG-UHFFFAOYSA-N 1 1 360.458 1.532 50 0 FDAAMO CSCCC(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095376265 221879203 /nfs/dbraw/zinc/87/92/03/221879203.db2.gz PVEFLDMPCZLPOJ-AWEZNQCLSA-N 1 1 362.503 1.827 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)C[N@H+]1C1CCOCC1 ZINC000096138956 222042444 /nfs/dbraw/zinc/04/24/44/222042444.db2.gz YKCRLYFWJBZKFP-WMZOPIPTSA-N 1 1 374.485 1.302 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)C[N@H+]1C1CCOCC1 ZINC000096141288 222046382 /nfs/dbraw/zinc/04/63/82/222046382.db2.gz YVKJKMUJTKRSNW-YJBOKZPZSA-N 1 1 374.485 1.302 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)C[N@@H+]1C ZINC000096162027 222061286 /nfs/dbraw/zinc/06/12/86/222061286.db2.gz HNQFHNGZGFBTGY-GUYCJALGSA-N 1 1 370.457 1.143 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccccn3)n[nH]2)C[N@H+]1C ZINC000096162027 222061292 /nfs/dbraw/zinc/06/12/92/222061292.db2.gz HNQFHNGZGFBTGY-GUYCJALGSA-N 1 1 370.457 1.143 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1 ZINC000097301432 222172773 /nfs/dbraw/zinc/17/27/73/222172773.db2.gz CVWWWBXRTMRLEN-SFHVURJKSA-N 1 1 368.481 1.784 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097574888 222194064 /nfs/dbraw/zinc/19/40/64/222194064.db2.gz NLYDAWWULGVMRX-HOTGVXAUSA-N 1 1 360.376 1.853 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097574888 222194067 /nfs/dbraw/zinc/19/40/67/222194067.db2.gz NLYDAWWULGVMRX-HOTGVXAUSA-N 1 1 360.376 1.853 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000097574888 222194068 /nfs/dbraw/zinc/19/40/68/222194068.db2.gz NLYDAWWULGVMRX-HOTGVXAUSA-N 1 1 360.376 1.853 50 0 FDAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc(-n2cnnc2)n1 ZINC000097784975 222212918 /nfs/dbraw/zinc/21/29/18/222212918.db2.gz YKFVSRREEIYMIZ-OAHLLOKOSA-N 1 1 362.437 1.839 50 0 FDAAMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000329015596 259072404 /nfs/dbraw/zinc/07/24/04/259072404.db2.gz JXBVCHMFABBVJE-CABCVRRESA-N 1 1 374.407 1.536 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@H]3CCC(=O)[C@H]3C)CC2)C1 ZINC000330036212 259123184 /nfs/dbraw/zinc/12/31/84/259123184.db2.gz YCMOZUZLZHUGGH-RCCFBDPRSA-N 1 1 365.518 1.245 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000426501904 263610630 /nfs/dbraw/zinc/61/06/30/263610630.db2.gz RNHSULWJRHRGIT-HXUWFJFHSA-N 1 1 374.529 1.881 50 0 FDAAMO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCN1CCC[C@H](CO)C1 ZINC000426651387 263651463 /nfs/dbraw/zinc/65/14/63/263651463.db2.gz UFBQTGHCOAHMEC-ZDUSSCGKSA-N 1 1 355.866 1.112 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000004035171 518283350 /nfs/dbraw/zinc/28/33/50/518283350.db2.gz VQHTYJZKWRJISG-MRXNPFEDSA-N 1 1 354.454 1.901 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000007787425 518435443 /nfs/dbraw/zinc/43/54/43/518435443.db2.gz JEVNMYUWXNOFFH-MRXNPFEDSA-N 1 1 365.499 1.251 50 0 FDAAMO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000007812070 518437385 /nfs/dbraw/zinc/43/73/85/518437385.db2.gz KUSXSMTUOJYJMG-ZDUSSCGKSA-N 1 1 353.463 1.809 50 0 FDAAMO Cn1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2c1=O ZINC000008748144 518486759 /nfs/dbraw/zinc/48/67/59/518486759.db2.gz BVCWTRIVTHECJB-MRXNPFEDSA-N 1 1 362.433 1.938 50 0 FDAAMO CC(=O)NCc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)s1 ZINC000009322013 518503211 /nfs/dbraw/zinc/50/32/11/518503211.db2.gz REYLUUICCIUZFV-ZETCQYMHSA-N 1 1 351.457 1.702 50 0 FDAAMO Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3C)n(C)c1=O ZINC000010358194 518535682 /nfs/dbraw/zinc/53/56/82/518535682.db2.gz DZWYOLUMQISDRE-UHFFFAOYSA-N 1 1 352.398 1.079 50 0 FDAAMO CN(C(=O)CN1CCCC1=O)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012386397 518609811 /nfs/dbraw/zinc/60/98/11/518609811.db2.gz WCAZBFRKBZPWDY-SFHVURJKSA-N 1 1 355.482 1.699 50 0 FDAAMO CC[N@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 ZINC000012983760 518645528 /nfs/dbraw/zinc/64/55/28/518645528.db2.gz CUWMTZFVVPRDOE-GOSISDBHSA-N 1 1 371.412 1.927 50 0 FDAAMO CC[N@@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 ZINC000012983760 518645535 /nfs/dbraw/zinc/64/55/35/518645535.db2.gz CUWMTZFVVPRDOE-GOSISDBHSA-N 1 1 371.412 1.927 50 0 FDAAMO CC(C)(C)CN1CCC[C@@](O)(C[NH+]2CCN(CC3CCC3)CC2)C1=O ZINC000020601738 518663688 /nfs/dbraw/zinc/66/36/88/518663688.db2.gz XNFPDTQQSVFTMI-HXUWFJFHSA-N 1 1 351.535 1.804 50 0 FDAAMO FC(F)(F)c1ccc(C[NH+]2CCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000014161898 518679904 /nfs/dbraw/zinc/67/99/04/518679904.db2.gz MJVJEFFZAJWQCK-UHFFFAOYSA-N 1 1 363.347 1.860 50 0 FDAAMO COc1ccc2[nH]c(C[NH+]3CCN(c4cnn(C)c(=O)c4)CC3)c(C)c2c1 ZINC000020778201 518857703 /nfs/dbraw/zinc/85/77/03/518857703.db2.gz SXDCUTVSGTXHKY-UHFFFAOYSA-N 1 1 367.453 1.901 50 0 FDAAMO Cn1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2Nc1ccc(F)cc1 ZINC000020732464 518857923 /nfs/dbraw/zinc/85/79/23/518857923.db2.gz OTEUKYNSKQIOSV-UHFFFAOYSA-N 1 1 371.420 1.360 50 0 FDAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000022916615 518920714 /nfs/dbraw/zinc/92/07/14/518920714.db2.gz AXGGWCDZWZJVAB-SFHVURJKSA-N 1 1 372.469 1.655 50 0 FDAAMO O=c1cc(CN2CC[NH+](Cn3cnc4ccccc43)CC2)nc2ccccn12 ZINC000023057842 518927887 /nfs/dbraw/zinc/92/78/87/518927887.db2.gz RRYMTAVWFLPABS-UHFFFAOYSA-N 1 1 374.448 1.820 50 0 FDAAMO O=C(CCC(=O)NCc1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000023477789 518953811 /nfs/dbraw/zinc/95/38/11/518953811.db2.gz LAXONJWFXYKNFK-UHFFFAOYSA-N 1 1 351.422 1.061 50 0 FDAAMO CC(C)(C)NC(=O)CN1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000024587879 518997991 /nfs/dbraw/zinc/99/79/91/518997991.db2.gz CKLNYXKCUWSVMZ-HNNXBMFYSA-N 1 1 369.531 1.158 50 0 FDAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 ZINC000025099945 519038116 /nfs/dbraw/zinc/03/81/16/519038116.db2.gz DRSFGUKYQBMZOO-CKEIUWERSA-N 1 1 366.483 1.213 50 0 FDAAMO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(C)C)CC2)c1 ZINC000025136386 519039017 /nfs/dbraw/zinc/03/90/17/519039017.db2.gz XJZIDTXSOALRTI-UHFFFAOYSA-N 1 1 367.515 1.883 50 0 FDAAMO O=C(CC[NH+]1CCN(c2cnccn2)CC1)NC(=O)NCc1ccccc1 ZINC000027635523 519190502 /nfs/dbraw/zinc/19/05/02/519190502.db2.gz UHSBRHPNBPGKMQ-UHFFFAOYSA-N 1 1 368.441 1.015 50 0 FDAAMO CCCNC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000029192808 519276512 /nfs/dbraw/zinc/27/65/12/519276512.db2.gz PIWMBEKTMXJOCB-UHFFFAOYSA-N 1 1 352.479 1.337 50 0 FDAAMO NC(=O)Nc1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000029716502 519315183 /nfs/dbraw/zinc/31/51/83/519315183.db2.gz YCNGYRQDWZUSOM-UHFFFAOYSA-N 1 1 368.437 1.939 50 0 FDAAMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032754463 519534890 /nfs/dbraw/zinc/53/48/90/519534890.db2.gz BPRCIYZWAGDQPN-LLVKDONJSA-N 1 1 370.409 1.288 50 0 FDAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000032754463 519534901 /nfs/dbraw/zinc/53/49/01/519534901.db2.gz BPRCIYZWAGDQPN-LLVKDONJSA-N 1 1 370.409 1.288 50 0 FDAAMO O=C(CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)Nc1ccc2c(c1)OCCO2 ZINC000035485462 519608427 /nfs/dbraw/zinc/60/84/27/519608427.db2.gz GFBFEDLXWFBXLW-INIZCTEOSA-N 1 1 367.405 1.227 50 0 FDAAMO COc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035806796 519611738 /nfs/dbraw/zinc/61/17/38/519611738.db2.gz FFQIKUBCTCLQFD-AUUYWEPGSA-N 1 1 367.449 1.531 50 0 FDAAMO O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035807234 519612539 /nfs/dbraw/zinc/61/25/39/519612539.db2.gz XYCMDFUIMUCXTH-QZTJIDSGSA-N 1 1 353.422 1.601 50 0 FDAAMO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COC(C)C ZINC000036104369 519617383 /nfs/dbraw/zinc/61/73/83/519617383.db2.gz SUMHXMMZPUEKDB-HXUWFJFHSA-N 1 1 350.503 1.915 50 0 FDAAMO CCOC(=O)N1CCC(N2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)CC1 ZINC000036385832 519621727 /nfs/dbraw/zinc/62/17/27/519621727.db2.gz NCSDRAQTPMEELC-GOSISDBHSA-N 1 1 353.507 1.919 50 0 FDAAMO Cc1cc(=O)n2nc(NCC3([NH+]4CCOCC4)CCCCC3)sc2n1 ZINC000040039763 519639176 /nfs/dbraw/zinc/63/91/76/519639176.db2.gz XPZLYBCIYQZSMX-UHFFFAOYSA-N 1 1 363.487 1.906 50 0 FDAAMO Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1-n1cnnn1 ZINC000040104922 519640172 /nfs/dbraw/zinc/64/01/72/519640172.db2.gz XZGFYQSMVQLIPY-OAHLLOKOSA-N 1 1 355.402 1.988 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNS(=O)(=O)c3cnn(CC)c3)cc2C1 ZINC000082092219 519855267 /nfs/dbraw/zinc/85/52/67/519855267.db2.gz PQOOXRDCDLZRDU-UHFFFAOYSA-N 1 1 366.491 1.194 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000044225202 521929980 /nfs/dbraw/zinc/92/99/80/521929980.db2.gz YXHSLZUYHFCTIU-MRXNPFEDSA-N 1 1 351.410 1.011 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@@H](c2ccccc2)C1 ZINC000044225202 521929995 /nfs/dbraw/zinc/92/99/95/521929995.db2.gz YXHSLZUYHFCTIU-MRXNPFEDSA-N 1 1 351.410 1.011 50 0 FDAAMO CCC(CC)[C@@H](CNC(=O)Nc1cnn(CCOC)c1)[NH+]1CCOCC1 ZINC000071925605 522139274 /nfs/dbraw/zinc/13/92/74/522139274.db2.gz RRCOXKZKIKYEQU-QGZVFWFLSA-N 1 1 367.494 1.788 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1cnn(C)c1)C1CC1 ZINC000072120707 522152954 /nfs/dbraw/zinc/15/29/54/522152954.db2.gz TWPBGTCNASYAPO-KRWDZBQOSA-N 1 1 361.490 1.148 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1cnn(C)c1)C1CC1 ZINC000072120707 522152966 /nfs/dbraw/zinc/15/29/66/522152966.db2.gz TWPBGTCNASYAPO-KRWDZBQOSA-N 1 1 361.490 1.148 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2[nH]nc3c2CCC3)[nH]1 ZINC000072120653 522153661 /nfs/dbraw/zinc/15/36/61/522153661.db2.gz AQOAQPVHMZBBJT-GJZGRUSLSA-N 1 1 370.501 1.796 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(C)Cc2n[nH]c3c2CCC3)[nH]1 ZINC000072120653 522153667 /nfs/dbraw/zinc/15/36/67/522153667.db2.gz AQOAQPVHMZBBJT-GJZGRUSLSA-N 1 1 370.501 1.796 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)Cc2n[nH]c3c2CCC3)[nH]1 ZINC000072120653 522153676 /nfs/dbraw/zinc/15/36/76/522153676.db2.gz AQOAQPVHMZBBJT-GJZGRUSLSA-N 1 1 370.501 1.796 50 0 FDAAMO Cc1cccc2ncc(C(=O)N3CCC([N@H+]4CCC[C@H](O)C4)CC3)c(=O)n12 ZINC000072137081 522164763 /nfs/dbraw/zinc/16/47/63/522164763.db2.gz DUBVLLVHZDKLOV-INIZCTEOSA-N 1 1 370.453 1.064 50 0 FDAAMO OCCOCC[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072141988 522168292 /nfs/dbraw/zinc/16/82/92/522168292.db2.gz KTPGADVXBJVPAZ-PWIZWCRZSA-N 1 1 360.454 1.286 50 0 FDAAMO OCCOCCN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072141988 522168299 /nfs/dbraw/zinc/16/82/99/522168299.db2.gz KTPGADVXBJVPAZ-PWIZWCRZSA-N 1 1 360.454 1.286 50 0 FDAAMO Cc1ncc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072149196 522176060 /nfs/dbraw/zinc/17/60/60/522176060.db2.gz ARLPIVDCAFHYIW-QGZVFWFLSA-N 1 1 354.454 1.857 50 0 FDAAMO Cc1nccc(-c2ccccc2)c1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NC1CC1 ZINC000072150854 522178833 /nfs/dbraw/zinc/17/88/33/522178833.db2.gz HSDQKBVNWKMZQZ-GOSISDBHSA-N 1 1 364.449 1.750 50 0 FDAAMO CN(CCC(C)(C)O)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072159433 522186907 /nfs/dbraw/zinc/18/69/07/522186907.db2.gz ZBLCNCLTTQINLU-KRWDZBQOSA-N 1 1 361.486 1.039 50 0 FDAAMO CN(CCC(C)(C)O)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072159433 522186917 /nfs/dbraw/zinc/18/69/17/522186917.db2.gz ZBLCNCLTTQINLU-KRWDZBQOSA-N 1 1 361.486 1.039 50 0 FDAAMO O[C@H]1CCC[N@H+](CCCNc2nc(-c3cccnc3)nc3c2CNC3)C1 ZINC000072169860 522195961 /nfs/dbraw/zinc/19/59/61/522195961.db2.gz WMFYJIIMVVFQSB-HNNXBMFYSA-N 1 1 354.458 1.401 50 0 FDAAMO O[C@H]1CCC[N@@H+](CCCNc2nc(-c3cccnc3)nc3c2CNC3)C1 ZINC000072169860 522195968 /nfs/dbraw/zinc/19/59/68/522195968.db2.gz WMFYJIIMVVFQSB-HNNXBMFYSA-N 1 1 354.458 1.401 50 0 FDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046141031 522234171 /nfs/dbraw/zinc/23/41/71/522234171.db2.gz SSUMEUSMWKALBC-UHFFFAOYSA-N 1 1 353.488 1.164 50 0 FDAAMO CC(=O)N[C@@H]1CCN(Cc2cc3n(n2)CC[N@@H+](CCCn2cccc2)C3)C1 ZINC000072410508 522241812 /nfs/dbraw/zinc/24/18/12/522241812.db2.gz ROQWVALIGZWEMU-GOSISDBHSA-N 1 1 370.501 1.301 50 0 FDAAMO COc1ccc2nc(CCn3ccnc3-c3cc4n(n3)CC[NH2+]C4)[nH]c2c1 ZINC000072421426 522251160 /nfs/dbraw/zinc/25/11/60/522251160.db2.gz DDRNJHNZLBVVOS-UHFFFAOYSA-N 1 1 363.425 1.977 50 0 FDAAMO CN(C)Cc1nnc([C@H]2CCC[N@H+](C3CSCCSC3)C2)n1C ZINC000072427298 522261883 /nfs/dbraw/zinc/26/18/83/522261883.db2.gz DHWPGEYREHCAML-ZDUSSCGKSA-N 1 1 355.577 1.905 50 0 FDAAMO CNC(=O)Cc1noc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)n1 ZINC000075104970 522878372 /nfs/dbraw/zinc/87/83/72/522878372.db2.gz AWCMEGJZHWHBSQ-UHFFFAOYSA-N 1 1 358.442 1.909 50 0 FDAAMO CCOc1ccc(OCC(=O)N2CCC[N@@H+](CCn3cccn3)CC2)cc1 ZINC000075162613 522886517 /nfs/dbraw/zinc/88/65/17/522886517.db2.gz DBRNAMLIGJEMQV-UHFFFAOYSA-N 1 1 372.469 1.895 50 0 FDAAMO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CSC[NH2+]1 ZINC000154793164 523097889 /nfs/dbraw/zinc/09/78/89/523097889.db2.gz PKLCVIMBWBKMOI-WCQYABFASA-N 1 1 364.389 1.566 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2nnc(CN(C)C)n2C)CC1 ZINC000077459747 523348869 /nfs/dbraw/zinc/34/88/69/523348869.db2.gz MHYPKYUOFFYWJC-UHFFFAOYSA-N 1 1 359.478 1.178 50 0 FDAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000077520470 523370312 /nfs/dbraw/zinc/37/03/12/523370312.db2.gz TZDCKEJKLSERMU-INIZCTEOSA-N 1 1 357.458 1.906 50 0 FDAAMO C[NH+]1CCN(C(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000020412068 523869484 /nfs/dbraw/zinc/86/94/84/523869484.db2.gz DFJYNJMGDYJTJO-UHFFFAOYSA-N 1 1 358.442 1.024 50 0 FDAAMO CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)nc1 ZINC000091526706 523929814 /nfs/dbraw/zinc/92/98/14/523929814.db2.gz FEGZBHGIADYYGP-QUCCMNQESA-N 1 1 374.529 1.947 50 0 FDAAMO CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)nc1 ZINC000091526706 523929819 /nfs/dbraw/zinc/92/98/19/523929819.db2.gz FEGZBHGIADYYGP-QUCCMNQESA-N 1 1 374.529 1.947 50 0 FDAAMO COc1ccc(CCNC(=O)C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000091254406 523957942 /nfs/dbraw/zinc/95/79/42/523957942.db2.gz YFSGLHYOWMXOHU-FQEVSTJZSA-N 1 1 359.470 1.298 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1CO ZINC000091391063 524061205 /nfs/dbraw/zinc/06/12/05/524061205.db2.gz BTTPCCJEOURABJ-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)C[C@@H]1CO ZINC000091391063 524061206 /nfs/dbraw/zinc/06/12/06/524061206.db2.gz BTTPCCJEOURABJ-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082099558 524209084 /nfs/dbraw/zinc/20/90/84/524209084.db2.gz INDUZKXEWIBAPT-HNNXBMFYSA-N 1 1 353.463 1.178 50 0 FDAAMO CC1(C)C[C@@H](C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)CCO1 ZINC000082115548 524210838 /nfs/dbraw/zinc/21/08/38/524210838.db2.gz HPKXWYBMDGWPHB-AWEZNQCLSA-N 1 1 370.519 1.343 50 0 FDAAMO COc1c[nH]c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc1=O ZINC000082126675 524214328 /nfs/dbraw/zinc/21/43/28/524214328.db2.gz IOOREUXNWVNSLX-UHFFFAOYSA-N 1 1 354.410 1.782 50 0 FDAAMO Cc1[nH]ncc1C[NH2+]C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000111394514 524279090 /nfs/dbraw/zinc/27/90/90/524279090.db2.gz XKPSOFCGMVEVDT-GOSISDBHSA-N 1 1 356.426 1.639 50 0 FDAAMO C[C@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)N1CC[NH+](C)CC1 ZINC000083967042 524281229 /nfs/dbraw/zinc/28/12/29/524281229.db2.gz NCKZOGRHSOSJQA-HIFRSBDPSA-N 1 1 364.877 1.197 50 0 FDAAMO C[C@@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CC[NH+](C)CC1 ZINC000082157810 524439517 /nfs/dbraw/zinc/43/95/17/524439517.db2.gz HJRZVWRUGQGIHR-KRWDZBQOSA-N 1 1 358.486 1.278 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](CC(=O)N3CCc4ccccc43)C2)C1=O ZINC000091426292 524703638 /nfs/dbraw/zinc/70/36/38/524703638.db2.gz GCTCKGFVPNQQKT-OAQYLSRUSA-N 1 1 371.481 1.537 50 0 FDAAMO COc1cc2c(cc1CN1CC[N@@H+](C)[C@]3(C1)CCNC(=O)CC3)CCC2 ZINC000091594113 524735851 /nfs/dbraw/zinc/73/58/51/524735851.db2.gz IBQVCMPJSVIFES-NRFANRHFSA-N 1 1 357.498 1.970 50 0 FDAAMO CCN1CC[C@]2(CN(Cc3noc(CC(C)C)n3)CC[N@H+]2C)CCC1=O ZINC000091605123 524739648 /nfs/dbraw/zinc/73/96/48/524739648.db2.gz MRBYBPSPSYZKCM-IBGZPJMESA-N 1 1 363.506 1.787 50 0 FDAAMO O=C(CCn1ccccc1=O)N[C@H]1C[N@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091725111 524766587 /nfs/dbraw/zinc/76/65/87/524766587.db2.gz KYAOWEQDEGFTDT-MSOLQXFVSA-N 1 1 359.470 1.244 50 0 FDAAMO O=C(c1cccc(-c2ncc[nH]2)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091737297 524769938 /nfs/dbraw/zinc/76/99/38/524769938.db2.gz FIRLVMYHKMMTNX-QZTJIDSGSA-N 1 1 370.453 1.089 50 0 FDAAMO COCc1ncc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)cn1 ZINC000091745359 524770776 /nfs/dbraw/zinc/77/07/76/524770776.db2.gz XPFHEKYYOVVUAE-RBUKOAKNSA-N 1 1 370.453 1.736 50 0 FDAAMO COCc1ncc(C[N@@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)cn1 ZINC000091745359 524770785 /nfs/dbraw/zinc/77/07/85/524770785.db2.gz XPFHEKYYOVVUAE-RBUKOAKNSA-N 1 1 370.453 1.736 50 0 FDAAMO CCOc1ccc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1OC ZINC000091756988 524776357 /nfs/dbraw/zinc/77/63/57/524776357.db2.gz ZNKMQNKEJVHZFT-FQEVSTJZSA-N 1 1 361.486 1.880 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000091755354 524776981 /nfs/dbraw/zinc/77/69/81/524776981.db2.gz SCFFMHFZWLPJGV-UHFFFAOYSA-N 1 1 368.445 1.594 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000091755354 524776992 /nfs/dbraw/zinc/77/69/92/524776992.db2.gz SCFFMHFZWLPJGV-UHFFFAOYSA-N 1 1 368.445 1.594 50 0 FDAAMO O=C(c1cc(F)ccc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091793642 524783071 /nfs/dbraw/zinc/78/30/71/524783071.db2.gz FRLVQQGBXPNFLC-CHWSQXEVSA-N 1 1 356.825 1.492 50 0 FDAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(=O)c(OC)c[nH]3)C[C@H]2NC(C)=O)cc1 ZINC000091793213 524783895 /nfs/dbraw/zinc/78/38/95/524783895.db2.gz BQEOXGVAWADHLX-ZWKOTPCHSA-N 1 1 371.437 1.496 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)C[C@H]1CCc3ccccc31)CC2 ZINC000091819440 524790205 /nfs/dbraw/zinc/79/02/05/524790205.db2.gz NTSMQHHAQOUGBJ-QGZVFWFLSA-N 1 1 355.482 1.919 50 0 FDAAMO Cc1cccc([C@H](C(=O)NCc2nc(-c3ncccn3)no2)[NH+](C)C)c1 ZINC000091820277 524791120 /nfs/dbraw/zinc/79/11/20/524791120.db2.gz KGHBOYCHDWZSLD-OAHLLOKOSA-N 1 1 352.398 1.754 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@@H]1CO ZINC000091894956 524804731 /nfs/dbraw/zinc/80/47/31/524804731.db2.gz AFAJHQQJJPGNGL-IAGOWNOFSA-N 1 1 357.454 1.230 50 0 FDAAMO CCN1CC[C@]2(CN(CCn3cc(Cl)cn3)CC[N@H+]2C)CCC1=O ZINC000091951918 524817224 /nfs/dbraw/zinc/81/72/24/524817224.db2.gz VTAHQJFGEBTJRS-KRWDZBQOSA-N 1 1 353.898 1.555 50 0 FDAAMO Cc1c(C(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)[nH]c2c1c(C)ccc2C ZINC000091952326 524818717 /nfs/dbraw/zinc/81/87/17/524818717.db2.gz MROLJFIRJSPMQV-IRXDYDNUSA-N 1 1 370.497 1.526 50 0 FDAAMO CC(C)[C@H]1C[N@H+](C2Cc3ccccc3C2)C[C@@H]1NS(=O)(=O)N(C)C ZINC000091988091 524825671 /nfs/dbraw/zinc/82/56/71/524825671.db2.gz VRWZOCODSORXJH-MSOLQXFVSA-N 1 1 351.516 1.506 50 0 FDAAMO COc1ccc(F)cc1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000092003898 524827302 /nfs/dbraw/zinc/82/73/02/524827302.db2.gz VRVOXKHOJUAXSS-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO COc1ccc(F)cc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000092003898 524827311 /nfs/dbraw/zinc/82/73/11/524827311.db2.gz VRVOXKHOJUAXSS-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO Cc1ccc(-c2ccc(C(=O)N3C[C@H](CO)[C@H](C[N@@H+](C)CCO)C3)cc2)o1 ZINC000092038432 524833675 /nfs/dbraw/zinc/83/36/75/524833675.db2.gz QLZCTTPRYYDKNG-RTBURBONSA-N 1 1 372.465 1.860 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000092066127 524838904 /nfs/dbraw/zinc/83/89/04/524838904.db2.gz CNOPSUVUXKESHY-MRXNPFEDSA-N 1 1 357.502 1.638 50 0 FDAAMO CC[C@@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000092065980 524839567 /nfs/dbraw/zinc/83/95/67/524839567.db2.gz ROKBGPVTUZQGHA-CQSZACIVSA-N 1 1 357.458 1.636 50 0 FDAAMO CC[C@@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000092065980 524839579 /nfs/dbraw/zinc/83/95/79/524839579.db2.gz ROKBGPVTUZQGHA-CQSZACIVSA-N 1 1 357.458 1.636 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000095362109 525036950 /nfs/dbraw/zinc/03/69/50/525036950.db2.gz HFFAFUPDVVINAN-IBGZPJMESA-N 1 1 371.481 1.141 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000095362109 525036955 /nfs/dbraw/zinc/03/69/55/525036955.db2.gz HFFAFUPDVVINAN-IBGZPJMESA-N 1 1 371.481 1.141 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095368913 525043424 /nfs/dbraw/zinc/04/34/24/525043424.db2.gz LTKLHVYOUFRGIX-AWEZNQCLSA-N 1 1 361.490 1.047 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1csc(N2CCOCC2)n1 ZINC000095375978 525049885 /nfs/dbraw/zinc/04/98/85/525049885.db2.gz JFPGTSLOSDLODU-OAHLLOKOSA-N 1 1 352.504 1.860 50 0 FDAAMO Cn1nc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)ccc1=O ZINC000095384066 525056532 /nfs/dbraw/zinc/05/65/32/525056532.db2.gz GHVDPMUXGYEGKA-IAGOWNOFSA-N 1 1 352.438 1.517 50 0 FDAAMO CCOc1ccc(NC(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000095384695 525058616 /nfs/dbraw/zinc/05/86/16/525058616.db2.gz NLSRASHUCDDEHH-IBGZPJMESA-N 1 1 360.458 1.904 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000095386086 525059527 /nfs/dbraw/zinc/05/95/27/525059527.db2.gz TYKXUZMUCZZGLQ-KRWDZBQOSA-N 1 1 359.451 1.007 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000095386086 525059539 /nfs/dbraw/zinc/05/95/39/525059539.db2.gz TYKXUZMUCZZGLQ-KRWDZBQOSA-N 1 1 359.451 1.007 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3cccn3C)C2)n1C ZINC000095390766 525061770 /nfs/dbraw/zinc/06/17/70/525061770.db2.gz SXGBBSGPHPOVFW-OAHLLOKOSA-N 1 1 367.457 1.727 50 0 FDAAMO COc1cc(CN2CCCOCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095503537 525086479 /nfs/dbraw/zinc/08/64/79/525086479.db2.gz FYMZYJODLUYGND-SFHVURJKSA-N 1 1 364.486 1.753 50 0 FDAAMO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)c(OC)n1 ZINC000095505310 525088861 /nfs/dbraw/zinc/08/88/61/525088861.db2.gz RMGRWFQGOSVPPS-INIZCTEOSA-N 1 1 371.437 1.418 50 0 FDAAMO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)c(OC)n1 ZINC000095505310 525088870 /nfs/dbraw/zinc/08/88/70/525088870.db2.gz RMGRWFQGOSVPPS-INIZCTEOSA-N 1 1 371.437 1.418 50 0 FDAAMO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520663 525098773 /nfs/dbraw/zinc/09/87/73/525098773.db2.gz BWZNZDQEJDOKBR-OAHLLOKOSA-N 1 1 366.425 1.988 50 0 FDAAMO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095520663 525098779 /nfs/dbraw/zinc/09/87/79/525098779.db2.gz BWZNZDQEJDOKBR-OAHLLOKOSA-N 1 1 366.425 1.988 50 0 FDAAMO Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000019933480 525108103 /nfs/dbraw/zinc/10/81/03/525108103.db2.gz CYLRXGPTQZCJJY-UHFFFAOYSA-N 1 1 358.398 1.070 50 0 FDAAMO Cn1cc[nH+]c1N1CCN(C(=O)CSCC(=O)c2ccccc2)CC1 ZINC000095960875 525110270 /nfs/dbraw/zinc/11/02/70/525110270.db2.gz VCCRLGPGOQINLR-UHFFFAOYSA-N 1 1 358.467 1.685 50 0 FDAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C(=O)c2cc(C)no2)CC1 ZINC000095957630 525111530 /nfs/dbraw/zinc/11/15/30/525111530.db2.gz YSGIABCTYCDRJY-HNNXBMFYSA-N 1 1 363.462 1.325 50 0 FDAAMO CC(C)NC(=O)CC[NH+]1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000095999750 525115785 /nfs/dbraw/zinc/11/57/85/525115785.db2.gz TXQTXPIODFYEJG-IBGZPJMESA-N 1 1 372.513 1.714 50 0 FDAAMO COc1ccc(Cc2nc(C[C@H]3C[N@@H+](C(C)C)CCO3)n(CCO)n2)cc1 ZINC000096154051 525142262 /nfs/dbraw/zinc/14/22/62/525142262.db2.gz PMCNGONKIWIAFI-SFHVURJKSA-N 1 1 374.485 1.522 50 0 FDAAMO COc1ccc(Cc2nc(C[C@H]3C[N@H+](C(C)C)CCO3)n(CCO)n2)cc1 ZINC000096154051 525142270 /nfs/dbraw/zinc/14/22/70/525142270.db2.gz PMCNGONKIWIAFI-SFHVURJKSA-N 1 1 374.485 1.522 50 0 FDAAMO Cc1cc(N2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)nc(C)n1 ZINC000176883294 525193857 /nfs/dbraw/zinc/19/38/57/525193857.db2.gz WXUWXXAIIZVMBS-QGZVFWFLSA-N 1 1 358.490 1.552 50 0 FDAAMO Cc1cc(OCC(=O)NCCC[NH+]2CCOCC2)c2c(C)cc(=O)oc2c1 ZINC000020546919 525360500 /nfs/dbraw/zinc/36/05/00/525360500.db2.gz KTWFGPYIIFYVOC-UHFFFAOYSA-N 1 1 374.437 1.627 50 0 FDAAMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000245237814 525530497 /nfs/dbraw/zinc/53/04/97/525530497.db2.gz XOANZKPCNNJQJO-GVXVVHGQSA-N 1 1 360.426 1.649 50 0 FDAAMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000170591725 525637162 /nfs/dbraw/zinc/63/71/62/525637162.db2.gz DERXHPSQUSSFHI-WMLDXEAASA-N 1 1 368.499 1.508 50 0 FDAAMO Cc1oc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1S(=O)(=O)N1CCCC1 ZINC000108331418 525956123 /nfs/dbraw/zinc/95/61/23/525956123.db2.gz HOTSVOVFYALINK-CQSZACIVSA-N 1 1 369.487 1.444 50 0 FDAAMO Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](C(=O)NCCCO)C3)cc(=O)c2c1 ZINC000091664782 526098397 /nfs/dbraw/zinc/09/83/97/526098397.db2.gz IEAOVNLFIPDKRG-OAHLLOKOSA-N 1 1 357.454 1.547 50 0 FDAAMO COc1cccc(OC2CN(C(=O)CC[C@H](C)N3CC[NH+](C)CC3)C2)c1 ZINC000091586718 526226326 /nfs/dbraw/zinc/22/63/26/526226326.db2.gz RHBSTIWIGRLWPR-INIZCTEOSA-N 1 1 361.486 1.701 50 0 FDAAMO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020507163 526487865 /nfs/dbraw/zinc/48/78/65/526487865.db2.gz XOJHZXXPEVBYRJ-UHFFFAOYSA-N 1 1 361.364 1.524 50 0 FDAAMO NC(=O)c1noc(CN2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082137495 527103705 /nfs/dbraw/zinc/10/37/05/527103705.db2.gz ASQLYYVEMIKGDJ-OAHLLOKOSA-N 1 1 366.425 1.793 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000091380931 527393429 /nfs/dbraw/zinc/39/34/29/527393429.db2.gz FOQNNQDNVUSHOD-DLBZAZTESA-N 1 1 367.453 1.740 50 0 FDAAMO Nc1nc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc[nH+]1 ZINC000091595474 527566653 /nfs/dbraw/zinc/56/66/53/527566653.db2.gz DLCPRBQBYGWQFC-UHFFFAOYSA-N 1 1 366.433 1.009 50 0 FDAAMO Cc1nn(C(=O)CCC(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000020464412 527574618 /nfs/dbraw/zinc/57/46/18/527574618.db2.gz PGGRBUPBIBBYLD-UHFFFAOYSA-N 1 1 358.442 1.604 50 0 FDAAMO O[C@@H](c1cn(CC2CC[NH+](Cc3cnc[nH]3)CC2)nn1)c1ccccc1 ZINC000019850731 527667864 /nfs/dbraw/zinc/66/78/64/527667864.db2.gz RIRVPEOWSSAOKA-LJQANCHMSA-N 1 1 352.442 1.995 50 0 FDAAMO O[C@@H](c1cn(CC2CC[NH+](Cc3c[nH]cn3)CC2)nn1)c1ccccc1 ZINC000019850731 527667868 /nfs/dbraw/zinc/66/78/68/527667868.db2.gz RIRVPEOWSSAOKA-LJQANCHMSA-N 1 1 352.442 1.995 50 0 FDAAMO CC1(C)SC[C@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)NC1=O ZINC000299776025 527820863 /nfs/dbraw/zinc/82/08/63/527820863.db2.gz JWVBGDNOPHEGTF-OAHLLOKOSA-N 1 1 362.499 1.126 50 0 FDAAMO CC1(C)SC[C@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)NC1=O ZINC000299776025 527820869 /nfs/dbraw/zinc/82/08/69/527820869.db2.gz JWVBGDNOPHEGTF-OAHLLOKOSA-N 1 1 362.499 1.126 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3cnn4ccn(C)c34)cc2C1 ZINC000299771325 527987205 /nfs/dbraw/zinc/98/72/05/527987205.db2.gz WCOAGTFIAKUNRU-UHFFFAOYSA-N 1 1 369.473 1.661 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)Cn3cc(Cl)c(C)n3)cc2C1 ZINC000299779516 528487815 /nfs/dbraw/zinc/48/78/15/528487815.db2.gz HQSONXJITNQCSD-UHFFFAOYSA-N 1 1 364.881 1.974 50 0 FDAAMO CCSc1ncc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cn1 ZINC000299800349 529260130 /nfs/dbraw/zinc/26/01/30/529260130.db2.gz VYKAOUGWSWYBEO-DFGXFYAUSA-N 1 1 365.499 1.577 50 0 FDAAMO CCc1cc(N2CCC([N@H+]3CCNC(=O)CC3)CC2)n2nc(C)c(C)c2n1 ZINC000072426131 536144973 /nfs/dbraw/zinc/14/49/73/536144973.db2.gz QIYSIFCFMVETOX-UHFFFAOYSA-N 1 1 370.501 1.699 50 0 FDAAMO C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC[NH2+]1 ZINC000248094260 537166331 /nfs/dbraw/zinc/16/63/31/537166331.db2.gz WYRNBWHTRILCBJ-CVEARBPZSA-N 1 1 355.486 1.606 50 0 FDAAMO CC[N@H+](Cc1cc(=O)n2cccc(O)c2n1)C[C@H](O)c1cccc(O)c1 ZINC000252506650 537250680 /nfs/dbraw/zinc/25/06/80/537250680.db2.gz WCBGDKYLJQEOQS-KRWDZBQOSA-N 1 1 355.394 1.661 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@H+](Cc1cc3ccccc3n(C)c1=O)CC2 ZINC000215610684 537438660 /nfs/dbraw/zinc/43/86/60/537438660.db2.gz MJUFKVMBJAJBOP-UHFFFAOYSA-N 1 1 351.410 1.180 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](Cc1cc3ccccc3n(C)c1=O)CC2 ZINC000215610684 537438668 /nfs/dbraw/zinc/43/86/68/537438668.db2.gz MJUFKVMBJAJBOP-UHFFFAOYSA-N 1 1 351.410 1.180 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000219079484 537471442 /nfs/dbraw/zinc/47/14/42/537471442.db2.gz UYFQZWNMHUKZJK-FQEVSTJZSA-N 1 1 365.437 1.766 50 0 FDAAMO Cc1nnnn1CCC(=O)N[C@@H](CCn1cc[nH+]c1C)c1ccccc1 ZINC000219959624 537483358 /nfs/dbraw/zinc/48/33/58/537483358.db2.gz SQBZFOFMKBWOFC-KRWDZBQOSA-N 1 1 353.430 1.824 50 0 FDAAMO COc1ccc([C@H](NC(=O)CCN2CC[NH+](C)CC2)c2ccncc2)cc1 ZINC000222285081 537504544 /nfs/dbraw/zinc/50/45/44/537504544.db2.gz FQORMKIEVWCHAA-NRFANRHFSA-N 1 1 368.481 1.933 50 0 FDAAMO CCn1nnc2cc(C(=O)N3CC[N@H+](C4CCOCC4)C[C@H]3C)ccc21 ZINC000225609305 537554926 /nfs/dbraw/zinc/55/49/26/537554926.db2.gz YDPXTFIGAWRUEI-CQSZACIVSA-N 1 1 357.458 1.777 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000230101829 537577414 /nfs/dbraw/zinc/57/74/14/537577414.db2.gz YBMRNPZQBDXJTJ-UONOGXRCSA-N 1 1 355.442 1.516 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000239611955 537644925 /nfs/dbraw/zinc/64/49/25/537644925.db2.gz FGBJSPHPIGKLLA-CYBMUJFWSA-N 1 1 350.806 1.838 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)N3CC[N@@H+](CC4CC4)[C@H](CCO)C3)cc2n1 ZINC000244633551 537649264 /nfs/dbraw/zinc/64/92/64/537649264.db2.gz GEVKWRAPZBYPNS-MRXNPFEDSA-N 1 1 357.458 1.265 50 0 FDAAMO Cc1nnc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)n1C1CC1 ZINC000285566287 537730912 /nfs/dbraw/zinc/73/09/12/537730912.db2.gz ZIYFWRQKMKOEIC-KRWDZBQOSA-N 1 1 354.458 1.849 50 0 FDAAMO CN(Cc1nc(-c2ccccn2)no1)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426669055 538120667 /nfs/dbraw/zinc/12/06/67/538120667.db2.gz NRAHXHCDTZSROL-LLVKDONJSA-N 1 1 353.386 1.644 50 0 FDAAMO Nc1cc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc2)ncn1 ZINC000426674018 538121385 /nfs/dbraw/zinc/12/13/85/538121385.db2.gz IQJSNVPOXQOLGT-MRXNPFEDSA-N 1 1 355.442 1.302 50 0 FDAAMO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)c1 ZINC000426674364 538122809 /nfs/dbraw/zinc/12/28/09/538122809.db2.gz YCTRATJUEZWGOE-OAHLLOKOSA-N 1 1 359.430 1.827 50 0 FDAAMO COc1cccc(N2CCN(c3cc([C@@H]4CCOC4)[nH+]c(N)n3)CC2)c1 ZINC000426737356 538126032 /nfs/dbraw/zinc/12/60/32/538126032.db2.gz HCFYNPINKAYPQR-CQSZACIVSA-N 1 1 355.442 1.898 50 0 FDAAMO Cn1cc(C(=O)N2CC(c3noc([C@H]4CCC[N@H+]4CC4CC4)n3)C2)cn1 ZINC000575542697 550465215 /nfs/dbraw/zinc/46/52/15/550465215.db2.gz VQZDZNDYRPCAMZ-OAHLLOKOSA-N 1 1 356.430 1.590 50 0 FDAAMO Cc1nc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3CO)cc2)nn1C ZINC000584886272 551565033 /nfs/dbraw/zinc/56/50/33/551565033.db2.gz VCLGXZFDUPVXEH-SFHVURJKSA-N 1 1 371.485 1.757 50 0 FDAAMO O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000628205788 557606763 /nfs/dbraw/zinc/60/67/63/557606763.db2.gz DWHJTUASAUVKCU-KBAYOESNSA-N 1 1 356.426 1.257 50 0 FDAAMO O=C(N[C@@H]1CCO[C@H]1c1cc[nH]n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000628205788 557606764 /nfs/dbraw/zinc/60/67/64/557606764.db2.gz DWHJTUASAUVKCU-KBAYOESNSA-N 1 1 356.426 1.257 50 0 FDAAMO CS(=O)(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426477590 570607190 /nfs/dbraw/zinc/60/71/90/570607190.db2.gz QANUJKFRKJDIBN-GOSISDBHSA-N 1 1 371.547 1.430 50 0 FDAAMO O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)NC(=O)Nc1ccccc1 ZINC000048375327 570954052 /nfs/dbraw/zinc/95/40/52/570954052.db2.gz KCGJEKAYNXTFHP-IAGOWNOFSA-N 1 1 361.442 1.995 50 0 FDAAMO Cc1nc(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)c(C)c(C)[nH+]1 ZINC000685941424 571101148 /nfs/dbraw/zinc/10/11/48/571101148.db2.gz WSIQMYJUYQPYKV-RRFJBIMHSA-N 1 1 358.446 1.490 50 0 FDAAMO CCN(Cc1ccccc1F)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426618116 571131572 /nfs/dbraw/zinc/13/15/72/571131572.db2.gz KIVORICXCKRFNU-OAHLLOKOSA-N 1 1 360.433 2.550 50 0 FDAAMO O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000091808829 571195473 /nfs/dbraw/zinc/19/54/73/571195473.db2.gz LSTVAOYUPRQQFU-MRXNPFEDSA-N 1 1 368.437 1.374 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)N1CCCCC1 ZINC000426387781 571218380 /nfs/dbraw/zinc/21/83/80/571218380.db2.gz BGRKKKGCKSNAFQ-BIXGBWIQSA-N 1 1 354.498 1.750 50 0 FDAAMO O=C(c1ccc(-c2c[nH]cn2)cc1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000426495850 571228473 /nfs/dbraw/zinc/22/84/73/571228473.db2.gz RTDISMLQLFQWMZ-GOSISDBHSA-N 1 1 354.454 1.996 50 0 FDAAMO OCCNc1nc(NCc2ccc(F)cc2Cl)cc([C@@H]2CCOC2)[nH+]1 ZINC000426545493 571231162 /nfs/dbraw/zinc/23/11/62/571231162.db2.gz VSBJTLDAKIIRKT-GFCCVEGCSA-N 1 1 366.824 1.633 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000426707448 571236023 /nfs/dbraw/zinc/23/60/23/571236023.db2.gz PZYBZKJTKQKHRY-QGZVFWFLSA-N 1 1 373.505 1.114 50 0 FDAAMO COc1cccc(CCNC(=O)N2CC[NH+](CCSC)CC2)c1OC ZINC000426712747 571236319 /nfs/dbraw/zinc/23/63/19/571236319.db2.gz NEDJBWZLHILICA-UHFFFAOYSA-N 1 1 367.515 1.937 50 0 FDAAMO CCN(CC(=O)NC(C)C)[C@@H]1CCCC[C@H]1[N@@H+](CC)CC(=O)NC(C)C ZINC000252512343 571281815 /nfs/dbraw/zinc/28/18/15/571281815.db2.gz PKSGBEZKJKKJTH-QZTJIDSGSA-N 1 1 368.566 1.991 50 0 FDAAMO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1=O ZINC000252540549 571283102 /nfs/dbraw/zinc/28/31/02/571283102.db2.gz PLJWQIIFOFDYIA-SFHVURJKSA-N 1 1 358.486 1.915 50 0 FDAAMO CCOC[C@@H](C)CS(=O)(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000253427878 571313199 /nfs/dbraw/zinc/31/31/99/571313199.db2.gz HCVZKYLWCMPNDO-IAGOWNOFSA-N 1 1 363.568 1.337 50 0 FDAAMO CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000252494106 571319692 /nfs/dbraw/zinc/31/96/92/571319692.db2.gz NKZSTODVONOKOE-KRWDZBQOSA-N 1 1 372.469 1.993 50 0 FDAAMO O=S(=O)(CCOc1ccccc1)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000670439660 571348299 /nfs/dbraw/zinc/34/82/99/571348299.db2.gz HZWZFNULRUCKNM-MRXNPFEDSA-N 1 1 356.488 1.222 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc(OC)c(C)cc2C)C1 ZINC000670443504 571349403 /nfs/dbraw/zinc/34/94/03/571349403.db2.gz JSADMVQEDPYLGH-HNNXBMFYSA-N 1 1 356.488 1.559 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3F)C[C@H]2O)CC1 ZINC000023360221 670704320 /nfs/dbraw/zinc/70/43/20/670704320.db2.gz VJKYQNNVZCORGZ-HZPDHXFCSA-N 1 1 355.841 1.302 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(Br)c3)C[C@H]2C1=O ZINC000169751588 672039297 /nfs/dbraw/zinc/03/92/97/672039297.db2.gz PVBFVRUGWXGKBK-OKILXGFUSA-N 1 1 367.243 1.512 50 0 FDAAMO Cc1ccsc1C[N@H+]1CCc2nc(N3CCOCC3)[nH]c(=O)c2CC1 ZINC000169751631 672039411 /nfs/dbraw/zinc/03/94/11/672039411.db2.gz PMKDOZLVZQYJHA-UHFFFAOYSA-N 1 1 360.483 1.577 50 0 FDAAMO O=C1CCCN1C[C@H](O)C[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000178506028 672142568 /nfs/dbraw/zinc/14/25/68/672142568.db2.gz TZMNDPWGMNAYEJ-CQSZACIVSA-N 1 1 360.483 1.402 50 0 FDAAMO CCC(=O)N1CCC([N@H+]2C[C@H](O)C[C@H]2C(=O)NC2CCCCC2)CC1 ZINC000257188908 672630920 /nfs/dbraw/zinc/63/09/20/672630920.db2.gz NEJBDWJIGIKNMN-SJORKVTESA-N 1 1 351.491 1.272 50 0 FDAAMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccccc3S(C)(=O)=O)CC[C@@H]21 ZINC000334123301 676782486 /nfs/dbraw/zinc/78/24/86/676782486.db2.gz NDNQKHHXBDOQLH-CVEARBPZSA-N 1 1 365.499 1.716 50 0 FDAAMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000529288708 694774261 /nfs/dbraw/zinc/77/42/61/694774261.db2.gz GKRVCXISPWCQFI-ZBFHGGJFSA-N 1 1 351.397 1.593 50 0 FDAAMO COc1ccc(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)c(OC)c1 ZINC000022241622 773989649 /nfs/dbraw/zinc/98/96/49/773989649.db2.gz VLZVEFAPLPIFCC-UHFFFAOYSA-N 1 1 363.502 1.984 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@H](c4nc(C)no4)[N@H+](C)C3)CC2)n(C)n1 ZINC000581802532 794244125 /nfs/dbraw/zinc/24/41/25/794244125.db2.gz JJEYJLHXMRDESS-OAHLLOKOSA-N 1 1 358.446 1.719 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(C[C@H](c4nc(C)no4)[N@@H+](C)C3)CC2)n(C)n1 ZINC000581802532 794244130 /nfs/dbraw/zinc/24/41/30/794244130.db2.gz JJEYJLHXMRDESS-OAHLLOKOSA-N 1 1 358.446 1.719 50 0 FDAAMO O=C([C@@H]1COc2ccccc2O1)N1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC000888095752 808121989 /nfs/dbraw/zinc/12/19/89/808121989.db2.gz FLJQGQHLWPJNAR-INIZCTEOSA-N 1 1 354.410 1.213 50 0 FDAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3Cn4cccc4C(=O)N3C)CC2)cc1 ZINC000169774701 864508542 /nfs/dbraw/zinc/50/85/42/864508542.db2.gz JAWNQHJPPQVLCQ-LJQANCHMSA-N 1 1 366.465 1.595 50 0 FDAAMO CCC[C@H](C)N1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257194120 864751412 /nfs/dbraw/zinc/75/14/12/864751412.db2.gz SOYPQPXINVIOSM-HNNXBMFYSA-N 1 1 359.518 1.885 50 0 FDAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cc2cnc3ncnn3c2)C1 ZINC000012111962 873830173 /nfs/dbraw/zinc/83/01/73/873830173.db2.gz WQLDGODZXDIMFS-GOSISDBHSA-N 1 1 364.453 1.790 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1N ZINC000184137798 897281456 /nfs/dbraw/zinc/28/14/56/897281456.db2.gz HRKOSTAYKVFKME-OAHLLOKOSA-N 1 1 357.458 1.835 50 0 FDAAMO CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CN(C)c4ccccc4O3)CC2)C1 ZINC000822921610 921032681 /nfs/dbraw/zinc/03/26/81/921032681.db2.gz ANUFNMNZBSDIKH-LJQANCHMSA-N 1 1 373.497 1.987 50 0 FDAAMO O=C(CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1nncs1 ZINC000828013278 924809145 /nfs/dbraw/zinc/80/91/45/924809145.db2.gz QEWJZCFWDRUWBI-AWEZNQCLSA-N 1 1 359.455 1.648 50 0 FDAAMO CC(C)[N@H+]1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@H]1CCO ZINC000828747207 924932486 /nfs/dbraw/zinc/93/24/86/924932486.db2.gz JFMQQSMHSFNMDJ-QGZVFWFLSA-N 1 1 358.486 1.404 50 0 FDAAMO CC(C)N1CC[N@H+](Cc2cn(CC(N)=O)c3ccccc23)C[C@H]1CCO ZINC000828747207 924932490 /nfs/dbraw/zinc/93/24/90/924932490.db2.gz JFMQQSMHSFNMDJ-QGZVFWFLSA-N 1 1 358.486 1.404 50 0 FDAAMO CC(C)N1CC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C[C@H]1CCO ZINC000828747207 924932494 /nfs/dbraw/zinc/93/24/94/924932494.db2.gz JFMQQSMHSFNMDJ-QGZVFWFLSA-N 1 1 358.486 1.404 50 0 FDAAMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCc1noc(CO)n1 ZINC000828840494 924944682 /nfs/dbraw/zinc/94/46/82/924944682.db2.gz JPYYLHQKKSGZSV-MRXNPFEDSA-N 1 1 373.457 1.268 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)CC2)cc1 ZINC000581787885 927573719 /nfs/dbraw/zinc/57/37/19/927573719.db2.gz GSLWXRNDDXQJSA-INIZCTEOSA-N 1 1 368.499 1.818 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)Cc3cccnc3)CC2)C12CCOCC2 ZINC000581802269 927587147 /nfs/dbraw/zinc/58/71/47/927587147.db2.gz IKZUABVRQVNYHM-SFHVURJKSA-N 1 1 359.470 1.495 50 0 FDAAMO O=S(=O)(c1ccccc1)N1CC([N@@H+](CC2CC2)C2CCOCC2)C1 ZINC000581794666 927595004 /nfs/dbraw/zinc/59/50/04/927595004.db2.gz MIJOYTXXUAKAJF-UHFFFAOYSA-N 1 1 350.484 1.951 50 0 FDAAMO CN1CC[NH+](CCCOc2ccccc2CN2C[C@@H](O)[C@H](F)C2)CC1 ZINC000952973190 960266743 /nfs/dbraw/zinc/26/67/43/960266743.db2.gz RNMVOYLHPKDANJ-QZTJIDSGSA-N 1 1 351.466 1.218 50 0 FDAAMO NC(=O)COc1ccc(CNCCC[N@@H+]2CCC[C@H](O)C2)cc1Cl ZINC000952975853 960272281 /nfs/dbraw/zinc/27/22/81/960272281.db2.gz XVPFJWUXNBLNMF-AWEZNQCLSA-N 1 1 355.866 1.141 50 0 FDAAMO NC(=O)COc1ccc(CNCCC[N@H+]2CCC[C@H](O)C2)cc1Cl ZINC000952975853 960272283 /nfs/dbraw/zinc/27/22/83/960272283.db2.gz XVPFJWUXNBLNMF-AWEZNQCLSA-N 1 1 355.866 1.141 50 0 FDAAMO Cc1ccc(CN(C)CC(=O)N2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1 ZINC000952977067 960273542 /nfs/dbraw/zinc/27/35/42/960273542.db2.gz JDHRZFULDYIQFN-HXUWFJFHSA-N 1 1 361.530 1.978 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000952979006 960278180 /nfs/dbraw/zinc/27/81/80/960278180.db2.gz FKMAZHYYBPRNMT-LLVKDONJSA-N 1 1 363.849 1.072 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000952979006 960278196 /nfs/dbraw/zinc/27/81/96/960278196.db2.gz FKMAZHYYBPRNMT-LLVKDONJSA-N 1 1 363.849 1.072 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000952979006 960278197 /nfs/dbraw/zinc/27/81/97/960278197.db2.gz FKMAZHYYBPRNMT-LLVKDONJSA-N 1 1 363.849 1.072 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000952982999 960298084 /nfs/dbraw/zinc/29/80/84/960298084.db2.gz QVFSJUASTNWOJF-IEBWSBKVSA-N 1 1 352.438 1.485 50 0 FDAAMO CCCc1cnc(N2CCC(CNC(=O)Cn3cc[nH+]c3C)CC2)nc1 ZINC000952990060 960316654 /nfs/dbraw/zinc/31/66/54/960316654.db2.gz UMBGODVRWFZSGO-UHFFFAOYSA-N 1 1 356.474 1.967 50 0 FDAAMO C[NH+](C)CC(=O)Nc1ccccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000952991038 960317316 /nfs/dbraw/zinc/31/73/16/960317316.db2.gz LARDGNDBTJLWNE-UHFFFAOYSA-N 1 1 368.393 1.770 50 0 FDAAMO CCn1nc(C)c(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)c1C ZINC000253396033 1008758933 /nfs/dbraw/zinc/75/89/33/1008758933.db2.gz ATHWGAVEPOGBCF-PKOBYXMFSA-N 1 1 356.470 1.743 50 0 FDAAMO CCn1nc(C)c(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccccc3)C2)c1C ZINC000253396033 1008758947 /nfs/dbraw/zinc/75/89/47/1008758947.db2.gz ATHWGAVEPOGBCF-PKOBYXMFSA-N 1 1 356.470 1.743 50 0 FDAAMO CNS(=O)(=O)CCNC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000299785956 530017418 /nfs/dbraw/zinc/01/74/18/530017418.db2.gz SHDMFJZVQXDBJX-CQSZACIVSA-N 1 1 368.503 1.732 50 0 FDAAMO CN(Cc1[nH]nc2c1CCC2)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000299801208 530021160 /nfs/dbraw/zinc/02/11/60/530021160.db2.gz WFTZJCCRULCNIZ-GFCCVEGCSA-N 1 1 358.446 1.233 50 0 FDAAMO Cc1cccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000000714256 219316372 /nfs/dbraw/zinc/31/63/72/219316372.db2.gz CWAMIQSVYGHVKJ-INIZCTEOSA-N 1 1 373.434 1.064 50 0 FDAAMO O=C(C[NH+]1CCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000902121 219337705 /nfs/dbraw/zinc/33/77/05/219337705.db2.gz PCYOBDVYBZDLGQ-UHFFFAOYSA-N 1 1 351.472 1.896 50 0 FDAAMO O=C(C[NH+]1CCC(Oc2ncccn2)CC1)NCCc1ccc(F)cc1 ZINC000252485668 222970922 /nfs/dbraw/zinc/97/09/22/222970922.db2.gz HBLCHJQUMUFXGC-UHFFFAOYSA-N 1 1 358.417 1.818 50 0 FDAAMO CO[C@]12CC[N@H+](Cc3nonc3C)[C@H]1C[C@H](NC(=O)c1cccnc1)CC2 ZINC000534592763 540387661 /nfs/dbraw/zinc/38/76/61/540387661.db2.gz QFJGOWTVWAPCEE-HHXXYDBFSA-N 1 1 371.441 1.715 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3nonc3C)[C@H]1C[C@H](NC(=O)c1cccnc1)CC2 ZINC000534592763 540387664 /nfs/dbraw/zinc/38/76/64/540387664.db2.gz QFJGOWTVWAPCEE-HHXXYDBFSA-N 1 1 371.441 1.715 50 0 FDAAMO CO[C@]12CC[N@@H+](CC(=O)NCCc3ccc(F)cc3)[C@H]1C[C@H](O)CC2 ZINC000299799848 223103037 /nfs/dbraw/zinc/10/30/37/223103037.db2.gz UUCPEFMQQJECAB-ZIFCJYIRSA-N 1 1 350.434 1.489 50 0 FDAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)no[n+]2[O-] ZINC000012591651 220010948 /nfs/dbraw/zinc/01/09/48/220010948.db2.gz AXFNYIZYWGLDNJ-KRWDZBQOSA-N 1 1 366.421 1.898 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000012612955 220013728 /nfs/dbraw/zinc/01/37/28/220013728.db2.gz KCOQDAROBWEVKH-AWEZNQCLSA-N 1 1 373.375 1.800 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000012612955 220013730 /nfs/dbraw/zinc/01/37/30/220013730.db2.gz KCOQDAROBWEVKH-AWEZNQCLSA-N 1 1 373.375 1.800 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCc1cccs1 ZINC000012713988 220021891 /nfs/dbraw/zinc/02/18/91/220021891.db2.gz DQMJMHDXGNWNHQ-SFHVURJKSA-N 1 1 371.506 1.840 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCc1cccs1 ZINC000012713988 220021894 /nfs/dbraw/zinc/02/18/94/220021894.db2.gz DQMJMHDXGNWNHQ-SFHVURJKSA-N 1 1 371.506 1.840 50 0 FDAAMO O=C(CSc1nnnn1C1CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012882637 220039061 /nfs/dbraw/zinc/03/90/61/220039061.db2.gz BDHMWHKQPDSUGE-CQSZACIVSA-N 1 1 358.471 1.491 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)nc2n1 ZINC000013020963 220055398 /nfs/dbraw/zinc/05/53/98/220055398.db2.gz RUHKZUQKIQVQSZ-CQSZACIVSA-N 1 1 354.414 1.901 50 0 FDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+](C)C1CCCCC1)C2=O ZINC000014095199 220106310 /nfs/dbraw/zinc/10/63/10/220106310.db2.gz PVESIOMPLGOFCX-UHFFFAOYSA-N 1 1 350.463 1.783 50 0 FDAAMO NC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014187365 220115214 /nfs/dbraw/zinc/11/52/14/220115214.db2.gz RHLRDTVQKFNWHX-MRXNPFEDSA-N 1 1 358.442 1.482 50 0 FDAAMO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([N@@H+](C)CCOC)CC2 ZINC000014530558 220126460 /nfs/dbraw/zinc/12/64/60/220126460.db2.gz IOPGFKZVVSROGZ-KRWDZBQOSA-N 1 1 370.497 1.921 50 0 FDAAMO CC(C)C[N@@H+]1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000014747989 220131934 /nfs/dbraw/zinc/13/19/34/220131934.db2.gz PTGGAOVRDVLEBN-GUDVDZBRSA-N 1 1 351.535 1.972 50 0 FDAAMO CC(C)C[N@H+]1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000014747989 220131937 /nfs/dbraw/zinc/13/19/37/220131937.db2.gz PTGGAOVRDVLEBN-GUDVDZBRSA-N 1 1 351.535 1.972 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(CN2CCOCC2)on1 ZINC000015769492 220163673 /nfs/dbraw/zinc/16/36/73/220163673.db2.gz ZTYWCPTZKFBWEE-HNNXBMFYSA-N 1 1 350.463 1.501 50 0 FDAAMO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1C ZINC000016311973 220182848 /nfs/dbraw/zinc/18/28/48/220182848.db2.gz NYYQXSLINZJNGD-OAHLLOKOSA-N 1 1 353.488 1.232 50 0 FDAAMO COc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2CCO)c(F)c1 ZINC000019222993 220240796 /nfs/dbraw/zinc/24/07/96/220240796.db2.gz UUWHRAMBCQWBHE-KRWDZBQOSA-N 1 1 352.450 1.882 50 0 FDAAMO C(CNc1nc2nonc2nc1N1CCCCCC1)C[NH+]1CCOCC1 ZINC000019608194 220281165 /nfs/dbraw/zinc/28/11/65/220281165.db2.gz JSDXYQHZVXWWEL-UHFFFAOYSA-N 1 1 361.450 1.527 50 0 FDAAMO Cc1c(C(=O)N(C)C)sc2ncnc(NCCC[NH+]3CCOCC3)c12 ZINC000019782193 220295796 /nfs/dbraw/zinc/29/57/96/220295796.db2.gz FLCJMWRLUKCNDQ-UHFFFAOYSA-N 1 1 363.487 1.836 50 0 FDAAMO CCOC(=O)C1=C(C[NH2+]CCOC)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000019857573 220301279 /nfs/dbraw/zinc/30/12/79/220301279.db2.gz AISNAZHJPKBDCX-KRWDZBQOSA-N 1 1 361.442 1.711 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CCOCC1 ZINC000020255349 220320201 /nfs/dbraw/zinc/32/02/01/220320201.db2.gz FVEVDXQMPUYHMR-HZPDHXFCSA-N 1 1 360.376 1.853 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 ZINC000020472157 220328327 /nfs/dbraw/zinc/32/83/27/220328327.db2.gz GEBCFSGFEWDOCB-MRXNPFEDSA-N 1 1 367.515 1.622 50 0 FDAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1N ZINC000021651837 220362285 /nfs/dbraw/zinc/36/22/85/220362285.db2.gz YVWWURQFOCYDND-UHFFFAOYSA-N 1 1 357.414 1.019 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000021932936 220371282 /nfs/dbraw/zinc/37/12/82/220371282.db2.gz GXJYGLILHRCTGV-INIZCTEOSA-N 1 1 365.861 1.531 50 0 FDAAMO OCC[NH+]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000022478678 220386653 /nfs/dbraw/zinc/38/66/53/220386653.db2.gz VJJSBHUJZYBJOR-FQEVSTJZSA-N 1 1 356.466 1.703 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000022634520 220392184 /nfs/dbraw/zinc/39/21/84/220392184.db2.gz FDQPYLKFEYVJQQ-UHFFFAOYSA-N 1 1 373.497 1.453 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+]1CCOCC1 ZINC000048290505 221004882 /nfs/dbraw/zinc/00/48/82/221004882.db2.gz KZIYSLRMGGFZKN-INIZCTEOSA-N 1 1 372.469 1.260 50 0 FDAAMO OCCc1cn(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048170819 221000466 /nfs/dbraw/zinc/00/04/66/221000466.db2.gz BRHYRTNHFBVJBW-INIZCTEOSA-N 1 1 358.442 1.496 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1 ZINC000049547237 221025183 /nfs/dbraw/zinc/02/51/83/221025183.db2.gz HVZVOMMMZKCZDX-HNNXBMFYSA-N 1 1 357.414 1.584 50 0 FDAAMO CSCC[C@H](NC(C)=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000055036894 221057753 /nfs/dbraw/zinc/05/77/53/221057753.db2.gz KMUMMCMFGZCLOL-SFHVURJKSA-N 1 1 363.527 1.897 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)CCC(=O)Nc2cc(C)ccc2F)C1 ZINC000055370727 221067192 /nfs/dbraw/zinc/06/71/92/221067192.db2.gz BDNQBTPVIVKVSB-OAHLLOKOSA-N 1 1 365.449 1.937 50 0 FDAAMO Cc1ccc(NC(=O)CC(=O)NCC[N@H+]2CCCC[C@H]2CO)cc1Cl ZINC000055401049 221068722 /nfs/dbraw/zinc/06/87/22/221068722.db2.gz RIFAFMJOHUEKGJ-HNNXBMFYSA-N 1 1 367.877 1.940 50 0 FDAAMO CCn1c(=O)[nH]c2cc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)ccc2c1=O ZINC000058179960 221103579 /nfs/dbraw/zinc/10/35/79/221103579.db2.gz XQSJFNUBEZUBTD-CQSZACIVSA-N 1 1 372.469 1.560 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)NCCc1ccc(Cl)cc1 ZINC000057885639 221095429 /nfs/dbraw/zinc/09/54/29/221095429.db2.gz BIYKWNDCOHKGQK-GOSISDBHSA-N 1 1 365.905 1.795 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925336 221156463 /nfs/dbraw/zinc/15/64/63/221156463.db2.gz CNPHCUHOZDCJQP-UHFFFAOYSA-N 1 1 366.425 1.268 50 0 FDAAMO Cc1nccn1-c1cc(NCCNS(=O)(=O)c2ccccc2)[nH+]c(C)n1 ZINC000065364071 221203052 /nfs/dbraw/zinc/20/30/52/221203052.db2.gz HSDJRMUWYXSATO-UHFFFAOYSA-N 1 1 372.454 1.670 50 0 FDAAMO Cn1cc(NC(=O)c2ccc(C[N@H+](C)Cc3cnc(N)nc3)cc2)cn1 ZINC000065373751 221205684 /nfs/dbraw/zinc/20/56/84/221205684.db2.gz QBBULNZABONSAP-UHFFFAOYSA-N 1 1 351.414 1.677 50 0 FDAAMO Cn1cc(NC(=O)c2ccc(C[N@@H+](C)Cc3cnc(N)nc3)cc2)cn1 ZINC000065373751 221205686 /nfs/dbraw/zinc/20/56/86/221205686.db2.gz QBBULNZABONSAP-UHFFFAOYSA-N 1 1 351.414 1.677 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCN(c3cn[nH]c(=O)c3)CC2)[NH+](C)C)c1 ZINC000065385693 221208265 /nfs/dbraw/zinc/20/82/65/221208265.db2.gz XVVXGXODIFPWEN-SFHVURJKSA-N 1 1 355.442 1.030 50 0 FDAAMO CCn1c(CC2CCN(C(=O)[C@H](C)n3cc[nH+]c3C(C)C)CC2)n[nH]c1=O ZINC000065399071 221212195 /nfs/dbraw/zinc/21/21/95/221212195.db2.gz LYAJJRJWRCTEAJ-AWEZNQCLSA-N 1 1 374.489 1.954 50 0 FDAAMO Cc1ccc(NC(=O)CNc2nc(N3CCC[C@H](O)C3)cc[nH+]2)c(F)c1 ZINC000065398207 221211842 /nfs/dbraw/zinc/21/18/42/221211842.db2.gz QBDVXVGSMYMTFC-ZDUSSCGKSA-N 1 1 359.405 1.936 50 0 FDAAMO CCc1[nH]c(CN2CCN(c3nc4c(cc3C(N)=O)CCC4)CC2)c(C)[nH+]1 ZINC000065534906 221232449 /nfs/dbraw/zinc/23/24/49/221232449.db2.gz VBDYIXYYNVNGGR-UHFFFAOYSA-N 1 1 368.485 1.585 50 0 FDAAMO Cc1cccc2c1ncn(CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c2=O ZINC000065674819 221236247 /nfs/dbraw/zinc/23/62/47/221236247.db2.gz LQTGMLRULLWKLO-GDBMZVCRSA-N 1 1 356.470 1.942 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)N(C)Cc3nc(C)cs3)no2)CC1 ZINC000067643451 221265679 /nfs/dbraw/zinc/26/56/79/221265679.db2.gz HFDCAJPCZLVVQU-UHFFFAOYSA-N 1 1 363.487 1.849 50 0 FDAAMO COCC[N@@H+](C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067654421 221266965 /nfs/dbraw/zinc/26/69/65/221266965.db2.gz UFCSWXRZOKDPJN-SFHVURJKSA-N 1 1 354.422 1.266 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067691433 221271833 /nfs/dbraw/zinc/27/18/33/221271833.db2.gz FLHVCJQTAHNXNA-OAHLLOKOSA-N 1 1 369.473 1.641 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067691433 221271836 /nfs/dbraw/zinc/27/18/36/221271836.db2.gz FLHVCJQTAHNXNA-OAHLLOKOSA-N 1 1 369.473 1.641 50 0 FDAAMO CN(CC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1)Cc1ccncc1 ZINC000067817192 221288698 /nfs/dbraw/zinc/28/86/98/221288698.db2.gz UXIPBOUFOGXCQH-UHFFFAOYSA-N 1 1 359.518 1.142 50 0 FDAAMO CN(CC(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)Cc1ccncc1 ZINC000067817192 221288699 /nfs/dbraw/zinc/28/86/99/221288699.db2.gz UXIPBOUFOGXCQH-UHFFFAOYSA-N 1 1 359.518 1.142 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000067770139 221282690 /nfs/dbraw/zinc/28/26/90/221282690.db2.gz ZQTAOMGGGZMIFQ-CYBMUJFWSA-N 1 1 353.426 1.812 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000067770139 221282692 /nfs/dbraw/zinc/28/26/92/221282692.db2.gz ZQTAOMGGGZMIFQ-CYBMUJFWSA-N 1 1 353.426 1.812 50 0 FDAAMO NC(=O)C[NH+]1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000067879086 221299284 /nfs/dbraw/zinc/29/92/84/221299284.db2.gz ZSTNMZQTSLREPX-UHFFFAOYSA-N 1 1 360.393 1.788 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC(c2nn(C)c(=O)n2CC)CC1 ZINC000067908220 221304384 /nfs/dbraw/zinc/30/43/84/221304384.db2.gz AUJLIJQQALMLRC-UHFFFAOYSA-N 1 1 360.462 1.157 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000071388600 221344936 /nfs/dbraw/zinc/34/49/36/221344936.db2.gz ISSTWYLFZYCNGI-AWEZNQCLSA-N 1 1 357.458 1.072 50 0 FDAAMO O=C(NCc1ccncn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071416291 221346312 /nfs/dbraw/zinc/34/63/12/221346312.db2.gz KSSWASROCAHAFN-MRXNPFEDSA-N 1 1 371.485 1.206 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NCCc2[nH]cc[nH+]2)C1 ZINC000071524388 221350993 /nfs/dbraw/zinc/35/09/93/221350993.db2.gz HCSUKVRGWQCRET-UHFFFAOYSA-N 1 1 363.425 1.821 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000071745846 221358692 /nfs/dbraw/zinc/35/86/92/221358692.db2.gz WKFAFOQDJKUWGS-QGZVFWFLSA-N 1 1 374.485 1.161 50 0 FDAAMO CN(CCCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071747953 221359032 /nfs/dbraw/zinc/35/90/32/221359032.db2.gz KSDFBMMOCPFZBI-IBGZPJMESA-N 1 1 374.529 1.599 50 0 FDAAMO CN(CCCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071747952 221359788 /nfs/dbraw/zinc/35/97/88/221359788.db2.gz KSDFBMMOCPFZBI-LJQANCHMSA-N 1 1 374.529 1.599 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000071748108 221359890 /nfs/dbraw/zinc/35/98/90/221359890.db2.gz DNCXAZBILGAGLW-CQSZACIVSA-N 1 1 357.458 1.072 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000071748577 221361146 /nfs/dbraw/zinc/36/11/46/221361146.db2.gz KHZGHSUWCLYNHU-CYBMUJFWSA-N 1 1 362.499 1.738 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCCC3)nc3sccn23)C1 ZINC000071763811 221370472 /nfs/dbraw/zinc/37/04/72/221370472.db2.gz HHKUPJWIQCUHCH-GFCCVEGCSA-N 1 1 361.471 1.329 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCC3)nc3sccn23)C1 ZINC000071763811 221370475 /nfs/dbraw/zinc/37/04/75/221370475.db2.gz HHKUPJWIQCUHCH-GFCCVEGCSA-N 1 1 361.471 1.329 50 0 FDAAMO CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071764168 221371525 /nfs/dbraw/zinc/37/15/25/221371525.db2.gz GKNCIHPTFAMVSD-GOSISDBHSA-N 1 1 360.502 1.209 50 0 FDAAMO COC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071765192 221372909 /nfs/dbraw/zinc/37/29/09/221372909.db2.gz UYYYINQQDGZOGQ-KRWDZBQOSA-N 1 1 374.485 1.047 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000071774823 221374583 /nfs/dbraw/zinc/37/45/83/221374583.db2.gz QHEMURJWIFYEQO-CVEARBPZSA-N 1 1 363.433 1.122 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000071774823 221374587 /nfs/dbraw/zinc/37/45/87/221374587.db2.gz QHEMURJWIFYEQO-CVEARBPZSA-N 1 1 363.433 1.122 50 0 FDAAMO CCOC(=O)c1ccc(OCCC[N@@H+]2C[C@@H]3C[C@H](O)[C@@H](O)C[C@@H]3C2)cc1 ZINC000072153129 221430957 /nfs/dbraw/zinc/43/09/57/221430957.db2.gz HHZCFQGTLILAOI-NBMJBFSESA-N 1 1 363.454 1.696 50 0 FDAAMO C[C@@H](CC(=O)NCCc1nc2ccc(Cl)cc2[nH]1)[NH+]1CCOCC1 ZINC000299787188 533433955 /nfs/dbraw/zinc/43/39/55/533433955.db2.gz VODKUPLXTUUKFP-LBPRGKRZSA-N 1 1 350.850 1.986 50 0 FDAAMO Cc1[nH][nH]c(=O)c1CC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000299768720 533591357 /nfs/dbraw/zinc/59/13/57/533591357.db2.gz KIZGLJPNGMGEGC-SJORKVTESA-N 1 1 354.454 1.677 50 0 FDAAMO NC(=O)c1ccc(C(F)(F)F)nc1N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000077358153 132182560 /nfs/dbraw/zinc/18/25/60/132182560.db2.gz OETAKJWWICXEHU-GFCCVEGCSA-N 1 1 372.391 1.625 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000091950954 132205032 /nfs/dbraw/zinc/20/50/32/132205032.db2.gz XKWDLTHDRUSWTH-UHFFFAOYSA-N 1 1 363.429 1.715 50 0 FDAAMO C[N@H+]1CCN(Cc2cnc(N3CCCCC3)nc2)C[C@]12CCNC(=O)CC2 ZINC000092028812 132205764 /nfs/dbraw/zinc/20/57/64/132205764.db2.gz BBHJTPHCVSOBAQ-FQEVSTJZSA-N 1 1 372.517 1.253 50 0 FDAAMO CCOC(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000095350435 132206964 /nfs/dbraw/zinc/20/69/64/132206964.db2.gz RSKGRXOBYADSOD-UHFFFAOYSA-N 1 1 366.437 1.152 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095387737 132210180 /nfs/dbraw/zinc/21/01/80/132210180.db2.gz ZFHJADABXSEXFZ-CQSZACIVSA-N 1 1 357.462 1.266 50 0 FDAAMO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095387737 132210182 /nfs/dbraw/zinc/21/01/82/132210182.db2.gz ZFHJADABXSEXFZ-CQSZACIVSA-N 1 1 357.462 1.266 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095387737 132210183 /nfs/dbraw/zinc/21/01/83/132210183.db2.gz ZFHJADABXSEXFZ-CQSZACIVSA-N 1 1 357.462 1.266 50 0 FDAAMO CCc1cc(N2CCC([NH2+][C@@H]3CN4CCC3CC4)CC2)nc(N(C)C)n1 ZINC000095528188 132214985 /nfs/dbraw/zinc/21/49/85/132214985.db2.gz UTWMWGGJQQRSLX-GOSISDBHSA-N 1 1 358.534 1.758 50 0 FDAAMO O=C1[C@@H](N2CC[NH+](CCn3ccnc3)CC2)CCCN1c1ccccc1 ZINC000095999703 132216653 /nfs/dbraw/zinc/21/66/53/132216653.db2.gz VAIBABJEAYZIBY-IBGZPJMESA-N 1 1 353.470 1.696 50 0 FDAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)CC1 ZINC000101129654 132233556 /nfs/dbraw/zinc/23/35/56/132233556.db2.gz WRNNVWRHSIDTQR-LJQANCHMSA-N 1 1 370.497 1.946 50 0 FDAAMO Cc1cc(N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc(N2CCCCC2)n1 ZINC000107422084 132241613 /nfs/dbraw/zinc/24/16/13/132241613.db2.gz MHPHURCEDLVMST-HXUWFJFHSA-N 1 1 372.517 1.566 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(c3ncccc3C(N)=O)C[C@H]2CCO)c1 ZINC000106948856 132266048 /nfs/dbraw/zinc/26/60/48/132266048.db2.gz XYUVKHYXMIRABP-MRXNPFEDSA-N 1 1 370.453 1.262 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3ncccc3C(N)=O)C[C@H]2CCO)c1 ZINC000106948856 132266049 /nfs/dbraw/zinc/26/60/49/132266049.db2.gz XYUVKHYXMIRABP-MRXNPFEDSA-N 1 1 370.453 1.262 50 0 FDAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000013002146 132267556 /nfs/dbraw/zinc/26/75/56/132267556.db2.gz MOCSUWCZKSGIMC-KDOFPFPSSA-N 1 1 353.422 1.959 50 0 FDAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000013002146 132267557 /nfs/dbraw/zinc/26/75/57/132267557.db2.gz MOCSUWCZKSGIMC-KDOFPFPSSA-N 1 1 353.422 1.959 50 0 FDAAMO OC1CCN(c2cc[nH+]c(N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)n2)CC1 ZINC000220397386 132276139 /nfs/dbraw/zinc/27/61/39/132276139.db2.gz JQOSBLDEFITSAB-YEWWUXTCSA-N 1 1 355.442 1.757 50 0 FDAAMO CC(=O)Nn1c(C)cc(C[NH+]2CCN(c3nc(C)cnc3C)CC2)c1C ZINC000071750702 136140136 /nfs/dbraw/zinc/14/01/36/136140136.db2.gz FWAVACICEVKKOD-UHFFFAOYSA-N 1 1 356.474 1.924 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC000071774879 136141178 /nfs/dbraw/zinc/14/11/78/136141178.db2.gz GVJYYIVURPGPNF-OAHLLOKOSA-N 1 1 369.513 1.925 50 0 FDAAMO CCNC(=O)CC[N@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072433103 136147095 /nfs/dbraw/zinc/14/70/95/136147095.db2.gz MZOFMNSAHCBELB-MRXNPFEDSA-N 1 1 361.490 1.327 50 0 FDAAMO Cc1ccc(OCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000136285703 173359472 /nfs/dbraw/zinc/35/94/72/173359472.db2.gz NHTATSAPFSFLPE-SFHVURJKSA-N 1 1 374.485 1.322 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000095372157 221874731 /nfs/dbraw/zinc/87/47/31/221874731.db2.gz XMDUVTZEMUYJEV-UHFFFAOYSA-N 1 1 362.455 1.404 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@H+]1C1CCCC1 ZINC000096152323 222053135 /nfs/dbraw/zinc/05/31/35/222053135.db2.gz RWJMGALGMAAAAM-PBHICJAKSA-N 1 1 359.474 1.460 50 0 FDAAMO CCOC(=O)/C=C\c1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000096405168 222119601 /nfs/dbraw/zinc/11/96/01/222119601.db2.gz KLCYHUANOKXENR-YVMONPNESA-N 1 1 359.426 1.399 50 0 FDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096927286 222141278 /nfs/dbraw/zinc/14/12/78/222141278.db2.gz RZWGJNGJTTVKTJ-BJIFSAINSA-N 1 1 367.501 1.912 50 0 FDAAMO O=C(CCOC[C@@H]1CCCO1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097326973 222174844 /nfs/dbraw/zinc/17/48/44/222174844.db2.gz LEDDRLQUUYSXMF-IBGZPJMESA-N 1 1 362.470 1.721 50 0 FDAAMO CC(C)OC[C@H](O)C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000097473282 222182588 /nfs/dbraw/zinc/18/25/88/222182588.db2.gz ZSHSOFYXTALPQW-QGZVFWFLSA-N 1 1 359.470 1.641 50 0 FDAAMO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000097681749 222206204 /nfs/dbraw/zinc/20/62/04/222206204.db2.gz NOTIJHGYVNFERT-INIZCTEOSA-N 1 1 353.488 1.264 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)c3c[nH]c(=O)c4ccccc34)CC2)CC1 ZINC000097819617 222215131 /nfs/dbraw/zinc/21/51/31/222215131.db2.gz IDTLUEVMGKCBIT-UHFFFAOYSA-N 1 1 354.454 1.286 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)NCCC3=CSC4=[NH+]CCCN34)cnc21 ZINC000102235317 222292824 /nfs/dbraw/zinc/29/28/24/222292824.db2.gz WFEWYXQRTJGUNE-UHFFFAOYSA-N 1 1 371.470 1.803 50 0 FDAAMO COc1ccc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)cc1Cn1cncn1 ZINC000104531737 222360207 /nfs/dbraw/zinc/36/02/07/222360207.db2.gz ZYCOKAJVKSQLGB-LJQANCHMSA-N 1 1 373.501 1.612 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2ccccc2NC1=O ZINC000105352702 222368065 /nfs/dbraw/zinc/36/80/65/222368065.db2.gz SSOWHLNZRXPOGA-YYQBIWNASA-N 1 1 353.422 1.712 50 0 FDAAMO O=C(CN1CC[N@@H+](CC2CC2)[C@@H](CCO)C1)NC1CCCCCCC1 ZINC000106255669 222385142 /nfs/dbraw/zinc/38/51/42/222385142.db2.gz VHCLOKRBQKGENE-IBGZPJMESA-N 1 1 351.535 1.994 50 0 FDAAMO Cn1ccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1=O ZINC000106747878 222387417 /nfs/dbraw/zinc/38/74/17/222387417.db2.gz WOUOEFNOKBDRBX-IBGZPJMESA-N 1 1 368.481 1.494 50 0 FDAAMO Cn1ccc(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1=O ZINC000106747878 222387423 /nfs/dbraw/zinc/38/74/23/222387423.db2.gz WOUOEFNOKBDRBX-IBGZPJMESA-N 1 1 368.481 1.494 50 0 FDAAMO Cn1ccc(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1=O ZINC000106747878 222387428 /nfs/dbraw/zinc/38/74/28/222387428.db2.gz WOUOEFNOKBDRBX-IBGZPJMESA-N 1 1 368.481 1.494 50 0 FDAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000332261328 259253105 /nfs/dbraw/zinc/25/31/05/259253105.db2.gz DYLVVGYFEIAEEP-JMSVASOKSA-N 1 1 365.396 1.928 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@H](CO)C1)N1CCC(Cn2ccnc2)CC1 ZINC000426511599 263614335 /nfs/dbraw/zinc/61/43/35/263614335.db2.gz HNDKLKVPAAMOBJ-SFHVURJKSA-N 1 1 363.506 1.399 50 0 FDAAMO [NH3+]Cc1nnc(SC[C@@H]2CCCS(=O)(=O)C2)n1-c1ccc(F)cc1 ZINC000426715908 263663364 /nfs/dbraw/zinc/66/33/64/263663364.db2.gz LOODZUFVSBMHNF-NSHDSACASA-N 1 1 370.475 1.782 50 0 FDAAMO COC(=O)c1ccc(OC)c(NC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000299771656 534233217 /nfs/dbraw/zinc/23/32/17/534233217.db2.gz VNQYJNPIBYACCV-CYBMUJFWSA-N 1 1 365.430 1.308 50 0 FDAAMO CCCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000004712028 518309522 /nfs/dbraw/zinc/30/95/22/518309522.db2.gz KWLXMFIMFKWOGW-HNNXBMFYSA-N 1 1 359.536 1.429 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 ZINC000006841306 518388278 /nfs/dbraw/zinc/38/82/78/518388278.db2.gz WWEPDCVNBOEKAD-LBPRGKRZSA-N 1 1 360.483 1.927 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937185 518393479 /nfs/dbraw/zinc/39/34/79/518393479.db2.gz PEBTXDKUVIWFIS-ZDUSSCGKSA-N 1 1 353.426 1.478 50 0 FDAAMO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCc2ccccc2)n(C)c1=O ZINC000008706250 518483513 /nfs/dbraw/zinc/48/35/13/518483513.db2.gz UAZGNPQTKJAJEZ-UHFFFAOYSA-N 1 1 366.425 1.355 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2)[C@H](O)C1 ZINC000299800379 534357812 /nfs/dbraw/zinc/35/78/12/534357812.db2.gz WBOJAEMCCSZYHB-QZTJIDSGSA-N 1 1 361.417 1.725 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(F)cc2)[C@H](O)C1 ZINC000299800379 534357822 /nfs/dbraw/zinc/35/78/22/534357822.db2.gz WBOJAEMCCSZYHB-QZTJIDSGSA-N 1 1 361.417 1.725 50 0 FDAAMO NC(=O)CC[N@H+](CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1 ZINC000009500990 518508075 /nfs/dbraw/zinc/50/80/75/518508075.db2.gz NYMNWFDTPBWOEF-UHFFFAOYSA-N 1 1 360.439 1.163 50 0 FDAAMO NC(=O)CC[N@@H+](CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1 ZINC000009500990 518508084 /nfs/dbraw/zinc/50/80/84/518508084.db2.gz NYMNWFDTPBWOEF-UHFFFAOYSA-N 1 1 360.439 1.163 50 0 FDAAMO Cc1cc(C)n(CCCNC(=O)[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000011879882 518578010 /nfs/dbraw/zinc/57/80/10/518578010.db2.gz BTBMADQEPCSVNX-SFHVURJKSA-N 1 1 361.534 1.812 50 0 FDAAMO Cn1ccnc1C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011936028 518579661 /nfs/dbraw/zinc/57/96/61/518579661.db2.gz GGPNZJBJSRABOC-SFHVURJKSA-N 1 1 364.396 1.342 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCc1cccnc1 ZINC000011936803 518580159 /nfs/dbraw/zinc/58/01/59/518580159.db2.gz ROQSMCAFRJKLDB-SFHVURJKSA-N 1 1 358.486 1.511 50 0 FDAAMO CCCCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011944355 518580606 /nfs/dbraw/zinc/58/06/06/518580606.db2.gz SZKMLZLDKRWTHR-HNNXBMFYSA-N 1 1 350.507 1.951 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1cccs1)CC2)c1ccccn1 ZINC000012078995 518586061 /nfs/dbraw/zinc/58/60/61/518586061.db2.gz OMAKOBAARAEIFD-UHFFFAOYSA-N 1 1 368.466 1.723 50 0 FDAAMO CC1(C[NH2+]Cc2ccccc2OC[C@H](O)CN2CCSCC2)COC1 ZINC000012471400 518617452 /nfs/dbraw/zinc/61/74/52/518617452.db2.gz REPKIQSSQIREQV-QGZVFWFLSA-N 1 1 366.527 1.601 50 0 FDAAMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019293906 518806767 /nfs/dbraw/zinc/80/67/67/518806767.db2.gz QMWBGJPSPIEBGE-UHFFFAOYSA-N 1 1 358.417 1.346 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000023184893 518935521 /nfs/dbraw/zinc/93/55/21/518935521.db2.gz LUDVRMDJSGVMRC-UHFFFAOYSA-N 1 1 356.426 1.340 50 0 FDAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nc4c(c(=O)[nH]3)CCC4)c2)C1 ZINC000023369312 518948205 /nfs/dbraw/zinc/94/82/05/518948205.db2.gz UGTYMCXGGSANLQ-MRXNPFEDSA-N 1 1 352.438 1.636 50 0 FDAAMO O=C(NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1)Nc1ccccc1 ZINC000026179191 519107220 /nfs/dbraw/zinc/10/72/20/519107220.db2.gz OYQNUKVRRIKLHC-QGZVFWFLSA-N 1 1 360.458 1.521 50 0 FDAAMO O=C(NC[C@H]1CCCC[N@H+]1CC(=O)N1CCOCC1)Nc1ccccc1 ZINC000026179191 519107222 /nfs/dbraw/zinc/10/72/22/519107222.db2.gz OYQNUKVRRIKLHC-QGZVFWFLSA-N 1 1 360.458 1.521 50 0 FDAAMO O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000028265216 519231589 /nfs/dbraw/zinc/23/15/89/519231589.db2.gz XEVLBIQSIGDJAY-GOSISDBHSA-N 1 1 367.449 1.973 50 0 FDAAMO O=C(CC[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccc(F)cc1 ZINC000299787457 534412002 /nfs/dbraw/zinc/41/20/02/534412002.db2.gz XBVCZOUODPKHBY-DLBZAZTESA-N 1 1 359.405 1.269 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc2ccccc2c(=O)n1CCOC ZINC000031816608 519465895 /nfs/dbraw/zinc/46/58/95/519465895.db2.gz NUOGBQZYYWMZAW-AWEZNQCLSA-N 1 1 358.442 1.257 50 0 FDAAMO Cc1cccc(CNC(=O)c2coc(CN3CC[NH+](C[C@@H](C)O)CC3)n2)c1 ZINC000034677574 519592911 /nfs/dbraw/zinc/59/29/11/519592911.db2.gz RXWOLSPTFCCGEO-MRXNPFEDSA-N 1 1 372.469 1.411 50 0 FDAAMO C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040152784 519641117 /nfs/dbraw/zinc/64/11/17/519641117.db2.gz JOWOKFWMMILKRA-HNNXBMFYSA-N 1 1 371.437 1.547 50 0 FDAAMO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C)cnc1N ZINC000089977220 521653558 /nfs/dbraw/zinc/65/35/58/521653558.db2.gz UMOKHHPAXBLDAW-HNNXBMFYSA-N 1 1 369.535 1.009 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C)cnc1N ZINC000089977220 521653559 /nfs/dbraw/zinc/65/35/59/521653559.db2.gz UMOKHHPAXBLDAW-HNNXBMFYSA-N 1 1 369.535 1.009 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000089977203 521721826 /nfs/dbraw/zinc/72/18/26/521721826.db2.gz NBNGXVBVNBPQDU-CABCVRRESA-N 1 1 369.469 1.768 50 0 FDAAMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000089977203 521721827 /nfs/dbraw/zinc/72/18/27/521721827.db2.gz NBNGXVBVNBPQDU-CABCVRRESA-N 1 1 369.469 1.768 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000089977203 521721828 /nfs/dbraw/zinc/72/18/28/521721828.db2.gz NBNGXVBVNBPQDU-CABCVRRESA-N 1 1 369.469 1.768 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](c2ccccc2)C1 ZINC000044225197 521930844 /nfs/dbraw/zinc/93/08/44/521930844.db2.gz YXHSLZUYHFCTIU-INIZCTEOSA-N 1 1 351.410 1.011 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2nc3ccccn3c2=O)[C@H](c2ccccc2)C1 ZINC000044225197 521930849 /nfs/dbraw/zinc/93/08/49/521930849.db2.gz YXHSLZUYHFCTIU-INIZCTEOSA-N 1 1 351.410 1.011 50 0 FDAAMO Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccnc(C(C)C)n3)CC[NH2+]2)cn1 ZINC000072131945 522162486 /nfs/dbraw/zinc/16/24/86/522162486.db2.gz QQSQSQNIMCGEJF-KRWDZBQOSA-N 1 1 354.458 1.716 50 0 FDAAMO CCOC(=O)CCNC(=O)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072140200 522166457 /nfs/dbraw/zinc/16/64/57/522166457.db2.gz FYQPUXAGPJKNKU-KRWDZBQOSA-N 1 1 359.470 1.871 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2nnc(CC)s2)[nH]1 ZINC000072149974 522174785 /nfs/dbraw/zinc/17/47/85/522174785.db2.gz HPSDPPXSAJOORG-RYUDHWBXSA-N 1 1 362.503 1.656 50 0 FDAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072148994 522176222 /nfs/dbraw/zinc/17/62/22/522176222.db2.gz HPHDNQAHMPBNGS-KGLIPLIRSA-N 1 1 365.437 1.201 50 0 FDAAMO Cn1cnc(S(=O)(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000072161463 522189476 /nfs/dbraw/zinc/18/94/76/522189476.db2.gz OQMYXXLFLUSQLT-INIZCTEOSA-N 1 1 360.483 1.330 50 0 FDAAMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(F)cc2)ccn1 ZINC000072169178 522197730 /nfs/dbraw/zinc/19/77/30/522197730.db2.gz QGQWUUFELMTTGR-OAHLLOKOSA-N 1 1 358.373 1.282 50 0 FDAAMO COc1nc(C)cc(C)c1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)C ZINC000072174481 522203248 /nfs/dbraw/zinc/20/32/48/522203248.db2.gz CUJCNNHEHSJEMF-MRXNPFEDSA-N 1 1 362.474 1.170 50 0 FDAAMO COc1ccc(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000072283977 522205992 /nfs/dbraw/zinc/20/59/92/522205992.db2.gz GNUYAWQAVSLHCL-NRFANRHFSA-N 1 1 370.449 1.957 50 0 FDAAMO C[C@@H](CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)NC(=O)C1CCCC1 ZINC000072277565 522206892 /nfs/dbraw/zinc/20/68/92/522206892.db2.gz YGWIWDJTMPUJHM-FUHWJXTLSA-N 1 1 365.518 1.785 50 0 FDAAMO CN1C[C@@]2(CC[N@@H+](Cc3ccc(OCCn4ccnc4)cc3)C2)OC1=O ZINC000072409483 522239757 /nfs/dbraw/zinc/23/97/57/522239757.db2.gz WVBJZOOFAOJJTH-LJQANCHMSA-N 1 1 356.426 1.989 50 0 FDAAMO O=C(CC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1)NC1CC1 ZINC000072426263 522261352 /nfs/dbraw/zinc/26/13/52/522261352.db2.gz GXJAJPNUHANYJX-OAQYLSRUSA-N 1 1 370.497 1.955 50 0 FDAAMO C[NH+]1CCC(N(CCc2ccccc2)C(=O)CN2CCC[C@H](O)C2)CC1 ZINC000072433572 522272787 /nfs/dbraw/zinc/27/27/87/522272787.db2.gz CRAPKDVGPQQRKR-FQEVSTJZSA-N 1 1 359.514 1.609 50 0 FDAAMO COc1cccc(-n2cc(CN(C)C(=O)C[N@@H+]3CCC[C@H](O)C3)cn2)c1 ZINC000072457255 522285734 /nfs/dbraw/zinc/28/57/34/522285734.db2.gz PXXCEEFMURCZRM-KRWDZBQOSA-N 1 1 358.442 1.296 50 0 FDAAMO COc1cccc(-n2cc(CN(C)C(=O)C[N@H+]3CCC[C@H](O)C3)cn2)c1 ZINC000072457255 522285743 /nfs/dbraw/zinc/28/57/43/522285743.db2.gz PXXCEEFMURCZRM-KRWDZBQOSA-N 1 1 358.442 1.296 50 0 FDAAMO CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072477196 522301321 /nfs/dbraw/zinc/30/13/21/522301321.db2.gz ZKFKOPXHPCOYDL-SFHVURJKSA-N 1 1 368.441 1.573 50 0 FDAAMO CC[C@@H](C)[C@@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020136657 522333588 /nfs/dbraw/zinc/33/35/88/522333588.db2.gz KUJSUZHKNNCGDX-KDOFPFPSSA-N 1 1 374.485 1.917 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000091691359 522580593 /nfs/dbraw/zinc/58/05/93/522580593.db2.gz QOGFKRFWGJXISW-DOTOQJQBSA-N 1 1 367.453 1.490 50 0 FDAAMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000075105055 522879160 /nfs/dbraw/zinc/87/91/60/522879160.db2.gz GFKMZQZVZUXDHF-AWEZNQCLSA-N 1 1 359.879 1.682 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CO ZINC000091585970 522881001 /nfs/dbraw/zinc/88/10/01/522881001.db2.gz BFXDKUKOKNIFCX-ZIAGYGMSSA-N 1 1 360.376 1.310 50 0 FDAAMO COc1cc2c(cc1C[N@@H+]1C[C@H](CO)[C@H](CN3CCN(C)CC3)C1)CCC2 ZINC000091444953 522998368 /nfs/dbraw/zinc/99/83/68/522998368.db2.gz WJMVXFRJSGNREQ-NHCUHLMSSA-N 1 1 373.541 1.472 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1C[C@H](CO)[C@H](CN3CCN(C)CC3)C1)CCC2 ZINC000091444953 522998382 /nfs/dbraw/zinc/99/83/82/522998382.db2.gz WJMVXFRJSGNREQ-NHCUHLMSSA-N 1 1 373.541 1.472 50 0 FDAAMO CCN(C1CC[NH+](Cc2c(C)nc3ccccn32)CC1)S(C)(=O)=O ZINC000076093305 523020370 /nfs/dbraw/zinc/02/03/70/523020370.db2.gz IWADUZQXPNCNQI-UHFFFAOYSA-N 1 1 350.488 1.889 50 0 FDAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1cccc2ccccc21 ZINC000078599504 523090495 /nfs/dbraw/zinc/09/04/95/523090495.db2.gz FRGYNBHXZKKREQ-KRWDZBQOSA-N 1 1 356.470 1.912 50 0 FDAAMO COCCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082109463 523293645 /nfs/dbraw/zinc/29/36/45/523293645.db2.gz BKVJKLFNJXRNOQ-QGZVFWFLSA-N 1 1 353.507 1.058 50 0 FDAAMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c(OC)c1 ZINC000077354608 523305609 /nfs/dbraw/zinc/30/56/09/523305609.db2.gz OLRWAPRNYFHVMC-FQEVSTJZSA-N 1 1 362.470 1.901 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCCN(C4CC[NH2+]CC4)C3)CCC2=O)cn1 ZINC000077394426 523323363 /nfs/dbraw/zinc/32/33/63/523323363.db2.gz FDMWRWBYOHSWQY-FQEVSTJZSA-N 1 1 357.502 1.742 50 0 FDAAMO COc1ccc2n[nH]c(C[N@H+]3CCC[C@]4(CCC(=O)N(CCO)C4)C3)c2c1 ZINC000077469971 523348974 /nfs/dbraw/zinc/34/89/74/523348974.db2.gz LYEGZGHVEZHLDS-FQEVSTJZSA-N 1 1 372.469 1.768 50 0 FDAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2sccc2S(N)(=O)=O)C1 ZINC000077490109 523362459 /nfs/dbraw/zinc/36/24/59/523362459.db2.gz MADGZIDUGWHLIB-LBPRGKRZSA-N 1 1 368.484 1.453 50 0 FDAAMO CC(C)Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)c(=O)[nH]3)C2)n1 ZINC000077537542 523375582 /nfs/dbraw/zinc/37/55/82/523375582.db2.gz IJWDLEIBGULLAA-GFCCVEGCSA-N 1 1 359.430 1.435 50 0 FDAAMO CCn1ccnc1C[NH+]1CCC(c2nnc(Cn3cncn3)n2CC)CC1 ZINC000091656237 523528584 /nfs/dbraw/zinc/52/85/84/523528584.db2.gz HMADGCQSNGEONF-UHFFFAOYSA-N 1 1 369.477 1.534 50 0 FDAAMO CN1CC[NH+](CCC(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)CC1 ZINC000020910713 523895040 /nfs/dbraw/zinc/89/50/40/523895040.db2.gz QBDKEGZLIXTJIV-CYBMUJFWSA-N 1 1 350.488 1.148 50 0 FDAAMO COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000020860833 524035710 /nfs/dbraw/zinc/03/57/10/524035710.db2.gz FMKYTYMKFACZOB-KRWDZBQOSA-N 1 1 352.475 1.607 50 0 FDAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(CCOc2ccccc2)CC1 ZINC000121154569 524168414 /nfs/dbraw/zinc/16/84/14/524168414.db2.gz PISCXHNEAAWTAV-GOSISDBHSA-N 1 1 372.513 1.877 50 0 FDAAMO C[C@@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)N1CCCC1=O ZINC000091441213 524204721 /nfs/dbraw/zinc/20/47/21/524204721.db2.gz VNEXGGVWPVYMAA-HNNXBMFYSA-N 1 1 373.501 1.659 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000082083658 524206377 /nfs/dbraw/zinc/20/63/77/524206377.db2.gz BYYMGIGEGARZLC-NRFANRHFSA-N 1 1 372.513 1.807 50 0 FDAAMO CN1CCN(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)CC1 ZINC000082156199 524217008 /nfs/dbraw/zinc/21/70/08/524217008.db2.gz YYZRYNVIJOBEIX-UHFFFAOYSA-N 1 1 360.506 1.488 50 0 FDAAMO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000085868302 524371270 /nfs/dbraw/zinc/37/12/70/524371270.db2.gz FAYMZHLDZWDFPW-CQSZACIVSA-N 1 1 373.469 1.758 50 0 FDAAMO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091288545 524688599 /nfs/dbraw/zinc/68/85/99/524688599.db2.gz WXROZTUUSMXXPX-WMLDXEAASA-N 1 1 364.449 1.474 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1C ZINC000091410385 524697462 /nfs/dbraw/zinc/69/74/62/524697462.db2.gz KBUGPQSCGZXVGC-WOJBJXKFSA-N 1 1 359.514 1.621 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1C ZINC000091410385 524697469 /nfs/dbraw/zinc/69/74/69/524697469.db2.gz KBUGPQSCGZXVGC-WOJBJXKFSA-N 1 1 359.514 1.621 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1C ZINC000091410385 524697481 /nfs/dbraw/zinc/69/74/81/524697481.db2.gz KBUGPQSCGZXVGC-WOJBJXKFSA-N 1 1 359.514 1.621 50 0 FDAAMO Cc1ncc(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c(=O)[nH]1 ZINC000091416911 524701769 /nfs/dbraw/zinc/70/17/69/524701769.db2.gz ATVMGVWCNHVODQ-IEBWSBKVSA-N 1 1 366.465 1.744 50 0 FDAAMO CN1CC[NH+](C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091526113 524719439 /nfs/dbraw/zinc/71/94/39/524719439.db2.gz WIVMXJVEUMZZAF-IAGOWNOFSA-N 1 1 371.447 1.993 50 0 FDAAMO Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3C[C@@H]4CC[C@H](C3)[N@@H+](C)C4)cc12 ZINC000091519302 524719850 /nfs/dbraw/zinc/71/98/50/524719850.db2.gz VWUYBXPTIWFIOH-ZIAGYGMSSA-N 1 1 361.467 1.551 50 0 FDAAMO NC(=O)C1(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)CC1 ZINC000091547800 524723396 /nfs/dbraw/zinc/72/33/96/524723396.db2.gz XXOKCWYUQBNFRK-ZWKOTPCHSA-N 1 1 355.482 1.808 50 0 FDAAMO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000091625994 524745071 /nfs/dbraw/zinc/74/50/71/524745071.db2.gz XBXXAOCXKLZDSX-QUCCMNQESA-N 1 1 358.482 1.823 50 0 FDAAMO CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000091625994 524745077 /nfs/dbraw/zinc/74/50/77/524745077.db2.gz XBXXAOCXKLZDSX-QUCCMNQESA-N 1 1 358.482 1.823 50 0 FDAAMO NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000091650426 524754333 /nfs/dbraw/zinc/75/43/33/524754333.db2.gz TXKWYODJOASIPF-INIZCTEOSA-N 1 1 361.461 1.804 50 0 FDAAMO NC(=O)NCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1C1CC1 ZINC000091725456 524769608 /nfs/dbraw/zinc/76/96/08/524769608.db2.gz WFPMYFPCYWHDPF-HIFRSBDPSA-N 1 1 350.850 1.335 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)c(Cl)c(C)[nH]c1=O)C2 ZINC000091738527 524772165 /nfs/dbraw/zinc/77/21/65/524772165.db2.gz GBUYQQKBXNBAMZ-ZIAGYGMSSA-N 1 1 367.877 1.828 50 0 FDAAMO CCCc1nnc(N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091746030 524775020 /nfs/dbraw/zinc/77/50/20/524775020.db2.gz WBBKUCYVNZFPLF-LXTVHRRPSA-N 1 1 354.520 1.645 50 0 FDAAMO CCCc1nnc(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000091746030 524775030 /nfs/dbraw/zinc/77/50/30/524775030.db2.gz WBBKUCYVNZFPLF-LXTVHRRPSA-N 1 1 354.520 1.645 50 0 FDAAMO CCN1CCC[C@@]2(CC[N@@H+](CCCOc3ccc(C(N)=O)cc3)C2)C1=O ZINC000091754869 524776254 /nfs/dbraw/zinc/77/62/54/524776254.db2.gz YFRODQJDUCDBIE-FQEVSTJZSA-N 1 1 359.470 1.889 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)cc1Cl ZINC000091933982 524813745 /nfs/dbraw/zinc/81/37/45/524813745.db2.gz VEUBHUYATGZQAX-IAGOWNOFSA-N 1 1 367.921 1.822 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1Cl ZINC000091933982 524813750 /nfs/dbraw/zinc/81/37/50/524813750.db2.gz VEUBHUYATGZQAX-IAGOWNOFSA-N 1 1 367.921 1.822 50 0 FDAAMO CN(C(=O)C[N@H+]1CC[C@]2(C1)CCCN(CCO)C2=O)C1CCCCC1 ZINC000091943227 524816029 /nfs/dbraw/zinc/81/60/29/524816029.db2.gz SVPVLVWREJECSX-IBGZPJMESA-N 1 1 351.491 1.084 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2CO)CC1 ZINC000092003580 524828331 /nfs/dbraw/zinc/82/83/31/524828331.db2.gz XIRLIHNNSNWCJL-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2CO)CC1 ZINC000092003580 524828343 /nfs/dbraw/zinc/82/83/43/524828343.db2.gz XIRLIHNNSNWCJL-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(c3ncccc3C(F)(F)F)C[C@@H]2CO)CC1 ZINC000092003580 524828350 /nfs/dbraw/zinc/82/83/50/524828350.db2.gz XIRLIHNNSNWCJL-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000092045543 524833114 /nfs/dbraw/zinc/83/31/14/524833114.db2.gz UCJLNSCTQKDGIT-UHFFFAOYSA-N 1 1 368.437 1.687 50 0 FDAAMO CS[C@H](C)CC[NH+]1CCC2(CC1)c1[nH]cnc1CCN2S(C)(=O)=O ZINC000092065225 524837268 /nfs/dbraw/zinc/83/72/68/524837268.db2.gz OGHBVPVRWNEXFH-CYBMUJFWSA-N 1 1 372.560 1.660 50 0 FDAAMO O=C1N(CCO)CCC[C@]12CC[N@@H+](Cc1nnc(-c3ccccc3)o1)C2 ZINC000092065953 524839474 /nfs/dbraw/zinc/83/94/74/524839474.db2.gz WVUPYQZCDWLDHQ-LJQANCHMSA-N 1 1 356.426 1.543 50 0 FDAAMO Cc1oc(C(C)C)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092107625 524850184 /nfs/dbraw/zinc/85/01/84/524850184.db2.gz HEPQYXCZQGNLMZ-HZPDHXFCSA-N 1 1 350.459 1.724 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)no1 ZINC000095356436 525031397 /nfs/dbraw/zinc/03/13/97/525031397.db2.gz KOAAEKUCKATENZ-IBGZPJMESA-N 1 1 360.458 1.532 50 0 FDAAMO CN(CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2)Cc1cccnc1 ZINC000095359408 525033580 /nfs/dbraw/zinc/03/35/80/525033580.db2.gz PQXUWPZSWSBGIK-AZUAARDMSA-N 1 1 372.513 1.615 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCC([N@H+]3CCNC(=O)CC3)CC2)N(C)C)c1 ZINC000095371392 525043910 /nfs/dbraw/zinc/04/39/10/525043910.db2.gz UOGFUXZFAMWBDW-FQEVSTJZSA-N 1 1 372.513 1.411 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2nccs2)CC1 ZINC000095379358 525051579 /nfs/dbraw/zinc/05/15/79/525051579.db2.gz SEFQYKQGXGRXAG-OAHLLOKOSA-N 1 1 364.515 1.683 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095472319 525076293 /nfs/dbraw/zinc/07/62/93/525076293.db2.gz YBMRNPZQBDXJTJ-ZIAGYGMSSA-N 1 1 355.442 1.516 50 0 FDAAMO COc1cc(C[N@@H+](C)CC2CC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095498447 525081167 /nfs/dbraw/zinc/08/11/67/525081167.db2.gz BUHAXHOTKFVLKK-GOSISDBHSA-N 1 1 364.486 1.609 50 0 FDAAMO COc1ccc(CN2CCC(O)CC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095502606 525086674 /nfs/dbraw/zinc/08/66/74/525086674.db2.gz ONGHFUXXQYWRQL-SFHVURJKSA-N 1 1 364.486 1.487 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000095507250 525091600 /nfs/dbraw/zinc/09/16/00/525091600.db2.gz XVKKTSDATIRYLH-IBGZPJMESA-N 1 1 370.497 1.840 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000095507250 525091608 /nfs/dbraw/zinc/09/16/08/525091608.db2.gz XVKKTSDATIRYLH-IBGZPJMESA-N 1 1 370.497 1.840 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(C)[nH]c1=O)CC2 ZINC000095510868 525092365 /nfs/dbraw/zinc/09/23/65/525092365.db2.gz OLWUXZIJJNNCQK-UHFFFAOYSA-N 1 1 370.457 1.201 50 0 FDAAMO CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nccn3CC(N)=O)C2)o1 ZINC000095510422 525093107 /nfs/dbraw/zinc/09/31/07/525093107.db2.gz BAXPOQOLBNTRRY-CYBMUJFWSA-N 1 1 359.430 1.043 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000095522356 525099048 /nfs/dbraw/zinc/09/90/48/525099048.db2.gz RKVPLCXTBQTDHM-AWEZNQCLSA-N 1 1 356.463 1.836 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)[NH+](C)C ZINC000095523279 525101586 /nfs/dbraw/zinc/10/15/86/525101586.db2.gz KMBPLRQCXKTBQS-GOSISDBHSA-N 1 1 354.454 1.910 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000095528977 525104845 /nfs/dbraw/zinc/10/48/45/525104845.db2.gz RXBHZTCXNDDWCF-LJQANCHMSA-N 1 1 352.434 1.957 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000095528977 525104853 /nfs/dbraw/zinc/10/48/53/525104853.db2.gz RXBHZTCXNDDWCF-LJQANCHMSA-N 1 1 352.434 1.957 50 0 FDAAMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC(F)F)C[C@H](C)O1 ZINC000095962846 525110503 /nfs/dbraw/zinc/11/05/03/525110503.db2.gz SKOBHDUIYXYVCK-RYUDHWBXSA-N 1 1 355.385 1.616 50 0 FDAAMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000095950851 525111345 /nfs/dbraw/zinc/11/13/45/525111345.db2.gz DBXHKEVILXOZDE-UHFFFAOYSA-N 1 1 350.843 1.556 50 0 FDAAMO CSCCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082135229 525447732 /nfs/dbraw/zinc/44/77/32/525447732.db2.gz CCCAONUVQZLTRM-QGZVFWFLSA-N 1 1 369.575 1.775 50 0 FDAAMO CSCCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082135229 525447741 /nfs/dbraw/zinc/44/77/41/525447741.db2.gz CCCAONUVQZLTRM-QGZVFWFLSA-N 1 1 369.575 1.775 50 0 FDAAMO Cc1ccc([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+](C)C)o1 ZINC000091650320 525758781 /nfs/dbraw/zinc/75/87/81/525758781.db2.gz YYGVFIZLAQTFSY-MRXNPFEDSA-N 1 1 354.410 1.717 50 0 FDAAMO Cc1cn[nH]c1C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000091459348 526019875 /nfs/dbraw/zinc/01/98/75/526019875.db2.gz MEVRVAHNNRWVNV-DLBZAZTESA-N 1 1 373.501 1.272 50 0 FDAAMO CC(C)(C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1)n1cccc1 ZINC000299781877 527514868 /nfs/dbraw/zinc/51/48/68/527514868.db2.gz RVYIYAPDJUDBDM-UHFFFAOYSA-N 1 1 367.515 1.381 50 0 FDAAMO CC(C)Oc1cccc(OCC[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)c1 ZINC000252481978 535051295 /nfs/dbraw/zinc/05/12/95/535051295.db2.gz CWGQACALQIHNLY-UHFFFAOYSA-N 1 1 372.469 1.769 50 0 FDAAMO CCCOCC[NH+]1CCN(c2nc(C)nc3c2CCN(C(C)=O)C3)CC1 ZINC000071763284 535233436 /nfs/dbraw/zinc/23/34/36/535233436.db2.gz SZVODWVMYHNTAP-UHFFFAOYSA-N 1 1 361.490 1.238 50 0 FDAAMO CCNC(=O)N1CCO[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034667086 535791585 /nfs/dbraw/zinc/79/15/85/535791585.db2.gz PUEGSZHKPBUIJB-KRWDZBQOSA-N 1 1 350.438 1.378 50 0 FDAAMO CN1CCN(C(=O)C[N@@H+](CCCO)Cc2cccc3ccccc32)CC1 ZINC000252503913 537250598 /nfs/dbraw/zinc/25/05/98/537250598.db2.gz VHFNUKJFPQAQOY-UHFFFAOYSA-N 1 1 355.482 1.798 50 0 FDAAMO C[NH+](C)[C@@H]1CN(C(=O)CCc2nc3ccc(Cl)cc3[nH]2)C[C@H]1CO ZINC000257189894 537252698 /nfs/dbraw/zinc/25/26/98/537252698.db2.gz KOXHVBDZQIYEAA-XHDPSFHLSA-N 1 1 350.850 1.530 50 0 FDAAMO Cc1nc(CN2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)no1 ZINC000215115867 537435123 /nfs/dbraw/zinc/43/51/23/537435123.db2.gz XKADOQLDUOLYIC-UHFFFAOYSA-N 1 1 352.442 1.941 50 0 FDAAMO Cc1cnc2c(Cl)c(C(=O)NCC3(C[NH+]4CCOCC4)CC3)nn2c1 ZINC000215515870 537439730 /nfs/dbraw/zinc/43/97/30/537439730.db2.gz QFDJUICSAHIHTK-UHFFFAOYSA-N 1 1 363.849 1.533 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccccc2Cn2cccn2)CC1)N1CCCC1 ZINC000215905109 537444686 /nfs/dbraw/zinc/44/46/86/537444686.db2.gz OUONSYOBRDIOND-UHFFFAOYSA-N 1 1 367.497 1.671 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cnoc2-c2ccccc2)C1 ZINC000216110695 537447146 /nfs/dbraw/zinc/44/71/46/537447146.db2.gz DWAMUUCKEDLQIP-HNNXBMFYSA-N 1 1 356.426 1.659 50 0 FDAAMO C[C@@H](Cc1cnccn1)NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000220480956 537489604 /nfs/dbraw/zinc/48/96/04/537489604.db2.gz OKQIKAIIPOTXKZ-INIZCTEOSA-N 1 1 353.470 1.585 50 0 FDAAMO O=C(c1cccnc1)N1CCC([N@H+]2CCCn3nc(CO)cc3C2)CC1 ZINC000220444403 537489727 /nfs/dbraw/zinc/48/97/27/537489727.db2.gz HQAKLRJDJISQEB-UHFFFAOYSA-N 1 1 355.442 1.281 50 0 FDAAMO C[N@H+](CCC(=O)NCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000220622609 537492584 /nfs/dbraw/zinc/49/25/84/537492584.db2.gz OWKDZAAECHYRBV-LBPRGKRZSA-N 1 1 373.544 1.566 50 0 FDAAMO C[N@@H+](CCC(=O)NCc1nc(C(C)(C)C)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000220622609 537492592 /nfs/dbraw/zinc/49/25/92/537492592.db2.gz OWKDZAAECHYRBV-LBPRGKRZSA-N 1 1 373.544 1.566 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCC2(CNC(=O)O2)CC1)c1ccc2c(c1)OCO2 ZINC000222926274 537515049 /nfs/dbraw/zinc/51/50/49/537515049.db2.gz LCBIZKPYLUYYOF-HNNXBMFYSA-N 1 1 361.398 1.119 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)Cn1cc(I)cn1 ZINC000223439103 537527234 /nfs/dbraw/zinc/52/72/34/537527234.db2.gz RMQQJYGMMJOHET-UHFFFAOYSA-N 1 1 373.198 1.199 50 0 FDAAMO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)S(=O)(=O)c1ccc(F)cc1 ZINC000229605541 537574371 /nfs/dbraw/zinc/57/43/71/537574371.db2.gz ZYMMAPDCLMIDNN-WQVCFCJDSA-N 1 1 354.447 1.731 50 0 FDAAMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000229728978 537575746 /nfs/dbraw/zinc/57/57/46/537575746.db2.gz RBCIXUXRPLNELJ-MJBXVCDLSA-N 1 1 366.428 1.422 50 0 FDAAMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000229951282 537576967 /nfs/dbraw/zinc/57/69/67/537576967.db2.gz DBHJOSDZLSXMLT-IEBWSBKVSA-N 1 1 361.486 1.287 50 0 FDAAMO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](OCCN2CCOCC2)C1)c1ccccc1 ZINC000229951282 537576975 /nfs/dbraw/zinc/57/69/75/537576975.db2.gz DBHJOSDZLSXMLT-IEBWSBKVSA-N 1 1 361.486 1.287 50 0 FDAAMO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000237129111 537615106 /nfs/dbraw/zinc/61/51/06/537615106.db2.gz LXZQRKOVMVEEFY-MRXNPFEDSA-N 1 1 365.449 1.513 50 0 FDAAMO C[C@H]1CN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC[NH2+]1 ZINC000237692782 537637383 /nfs/dbraw/zinc/63/73/83/537637383.db2.gz MYEZMDPTZKFKHJ-ZETCQYMHSA-N 1 1 355.204 1.710 50 0 FDAAMO CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000241466103 537646716 /nfs/dbraw/zinc/64/67/16/537646716.db2.gz NUVXDACEGPBPTN-UHFFFAOYSA-N 1 1 365.499 1.707 50 0 FDAAMO CCOCc1ccccc1CNC(=O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000241739098 537647207 /nfs/dbraw/zinc/64/72/07/537647207.db2.gz QZYZTYGJZJYRJE-UHFFFAOYSA-N 1 1 350.459 1.313 50 0 FDAAMO c1nc(N2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)n[nH]1 ZINC000244673771 537650528 /nfs/dbraw/zinc/65/05/28/537650528.db2.gz HVESUMQSFGDIOW-GOSISDBHSA-N 1 1 356.474 1.218 50 0 FDAAMO Cc1nc(-c2ccc(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3C(C)C)cc2)no1 ZINC000244828559 537653536 /nfs/dbraw/zinc/65/35/36/537653536.db2.gz TYJQCSDCORUWHB-MRXNPFEDSA-N 1 1 371.441 1.260 50 0 FDAAMO Cc1nc(-c2ccc(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3C(C)C)cc2)no1 ZINC000244828559 537653541 /nfs/dbraw/zinc/65/35/41/537653541.db2.gz TYJQCSDCORUWHB-MRXNPFEDSA-N 1 1 371.441 1.260 50 0 FDAAMO C[N@H+]1CC[C@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@H]2C1 ZINC000285702340 537748052 /nfs/dbraw/zinc/74/80/52/537748052.db2.gz IVUZTESKFFMYRK-ZWKOTPCHSA-N 1 1 373.453 1.124 50 0 FDAAMO CN(C)C1(CNC(=O)N[C@H](CO)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000426698163 538123840 /nfs/dbraw/zinc/12/38/40/538123840.db2.gz DAGQMTNSBKYTMA-MRXNPFEDSA-N 1 1 352.454 1.184 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000426739739 538126507 /nfs/dbraw/zinc/12/65/07/538126507.db2.gz KQHMAFRHRKZIJB-GOSISDBHSA-N 1 1 355.486 1.823 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000426739739 538126516 /nfs/dbraw/zinc/12/65/16/538126516.db2.gz KQHMAFRHRKZIJB-GOSISDBHSA-N 1 1 355.486 1.823 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000426739739 538126521 /nfs/dbraw/zinc/12/65/21/538126521.db2.gz KQHMAFRHRKZIJB-GOSISDBHSA-N 1 1 355.486 1.823 50 0 FDAAMO C[C@@H]1CN(C(=O)C2CC[NH+](Cn3c4ccccc4oc3=O)CC2)C[C@@H](C)O1 ZINC000045801746 570912619 /nfs/dbraw/zinc/91/26/19/570912619.db2.gz RVGUAIHHMLJMSZ-HUUCEWRRSA-N 1 1 373.453 1.900 50 0 FDAAMO Cn1c(=O)[nH]nc1[C@@H]1C[C@@H](O)[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000685941107 571100460 /nfs/dbraw/zinc/10/04/60/571100460.db2.gz RIYYGNXBLZYKPZ-UBKQEKKBSA-N 1 1 350.463 1.457 50 0 FDAAMO COc1cccc(N2CCN(c3cc([C@H]4CCOC4)[nH+]c(N)n3)CC2=O)c1 ZINC000426531578 571135574 /nfs/dbraw/zinc/13/55/74/571135574.db2.gz JTLIATWRYYGAMM-ZDUSSCGKSA-N 1 1 369.425 1.425 50 0 FDAAMO Cc1c(C(=O)NC[C@@H]2COCC[N@@H+](C)C2)sc2[nH]c(C)nc(=O)c12 ZINC000253536658 571137858 /nfs/dbraw/zinc/13/78/58/571137858.db2.gz ZXABVHSJTXNBEV-NSHDSACASA-N 1 1 350.444 1.322 50 0 FDAAMO Cc1c(C(=O)NC[C@@H]2COCC[N@H+](C)C2)sc2[nH]c(C)nc(=O)c12 ZINC000253536658 571137860 /nfs/dbraw/zinc/13/78/60/571137860.db2.gz ZXABVHSJTXNBEV-NSHDSACASA-N 1 1 350.444 1.322 50 0 FDAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)C[C@H](C)O1 ZINC000077321204 571140111 /nfs/dbraw/zinc/14/01/11/571140111.db2.gz RJJQRFBBEMXUSS-GQIGUUNPSA-N 1 1 357.498 1.801 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)C[C@H](C)O1 ZINC000077321204 571140113 /nfs/dbraw/zinc/14/01/13/571140113.db2.gz RJJQRFBBEMXUSS-GQIGUUNPSA-N 1 1 357.498 1.801 50 0 FDAAMO Cc1c(NC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cccc1C(N)=O ZINC000426370844 571216427 /nfs/dbraw/zinc/21/64/27/571216427.db2.gz VAPQGCFLZUFQFC-HNNXBMFYSA-N 1 1 362.474 1.650 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCOc3ccccc3C2)C1 ZINC000426404370 571220687 /nfs/dbraw/zinc/22/06/87/571220687.db2.gz SINDZDFXRPXKFW-MRXNPFEDSA-N 1 1 360.458 1.178 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(C(=O)OC)c(Cl)c1 ZINC000426478046 571227417 /nfs/dbraw/zinc/22/74/17/571227417.db2.gz RKGWUBBRAKHCJV-KBPBESRZSA-N 1 1 355.822 1.967 50 0 FDAAMO CN(CCc1ccccn1)c1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426497326 571228695 /nfs/dbraw/zinc/22/86/95/571228695.db2.gz WIWGYZQUBSIVIL-AWEZNQCLSA-N 1 1 355.442 1.235 50 0 FDAAMO C[NH+]1CCN(C(=O)c2cccc(-c3nc4c(cc3C(N)=O)CCC4)c2)CC1 ZINC000426526081 571230201 /nfs/dbraw/zinc/23/02/01/571230201.db2.gz KQZAJSHFVPMPRN-UHFFFAOYSA-N 1 1 364.449 1.724 50 0 FDAAMO Cc1nc(C[N@H+]2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)co1 ZINC000426555806 571231628 /nfs/dbraw/zinc/23/16/28/571231628.db2.gz DQNISLOFSXLCRO-HNNXBMFYSA-N 1 1 374.489 1.448 50 0 FDAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)co1 ZINC000426555806 571231629 /nfs/dbraw/zinc/23/16/29/571231629.db2.gz DQNISLOFSXLCRO-HNNXBMFYSA-N 1 1 374.489 1.448 50 0 FDAAMO COc1ncnc2c1ncn2CC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731812 571258640 /nfs/dbraw/zinc/25/86/40/571258640.db2.gz LPXIDXIPIMXJTN-LSDHHAIUSA-N 1 1 372.473 1.558 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c(Cl)cc1F ZINC000670452324 571352652 /nfs/dbraw/zinc/35/26/52/571352652.db2.gz XIPHERCRYSVNNG-LBPRGKRZSA-N 1 1 364.870 1.770 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](CO)C2)c(Cl)cc1F ZINC000670452324 571352653 /nfs/dbraw/zinc/35/26/53/571352653.db2.gz XIPHERCRYSVNNG-LBPRGKRZSA-N 1 1 364.870 1.770 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCC[C@@H](CO)C1)c1cc2ccccc2s1 ZINC000670460991 571356859 /nfs/dbraw/zinc/35/68/59/571356859.db2.gz HQQPYGSSVVIDFK-CYBMUJFWSA-N 1 1 354.497 1.884 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCC[C@@H](CO)C1)c1cc2ccccc2s1 ZINC000670460991 571356860 /nfs/dbraw/zinc/35/68/60/571356860.db2.gz HQQPYGSSVVIDFK-CYBMUJFWSA-N 1 1 354.497 1.884 50 0 FDAAMO CN(C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1)[C@H]1CC[N@@H+](C)C1 ZINC000011815682 670607954 /nfs/dbraw/zinc/60/79/54/670607954.db2.gz MOIZEXLZQRBVPT-ZDUSSCGKSA-N 1 1 351.813 1.895 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+]1C1CCSCC1 ZINC000012054074 670610254 /nfs/dbraw/zinc/61/02/54/670610254.db2.gz NRARPEPUJHZOID-INIZCTEOSA-N 1 1 358.471 1.961 50 0 FDAAMO Cn1cnnc1SCC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012469532 670613954 /nfs/dbraw/zinc/61/39/54/670613954.db2.gz INZDLYMWAOJWLI-MRXNPFEDSA-N 1 1 359.499 1.731 50 0 FDAAMO CCC(=O)N1CC[C@@](CC)([NH+]2CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000169752036 672039279 /nfs/dbraw/zinc/03/92/79/672039279.db2.gz KZECSPFYOSMXRY-LJQANCHMSA-N 1 1 351.491 1.348 50 0 FDAAMO CC[NH+]1CCN(c2nc3c(s2)CN(C(=O)c2ccncc2)CC3)CC1 ZINC000169751837 672039449 /nfs/dbraw/zinc/03/94/49/672039449.db2.gz GYYSCIJXVJZYFP-UHFFFAOYSA-N 1 1 357.483 1.879 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2C1=O ZINC000169751590 672039482 /nfs/dbraw/zinc/03/94/82/672039482.db2.gz SDYCKZHLHQORQE-BETUJISGSA-N 1 1 356.344 1.769 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2C1=O ZINC000169757547 672039670 /nfs/dbraw/zinc/03/96/70/672039670.db2.gz CTSHVUALFCLPCZ-OKILXGFUSA-N 1 1 356.344 1.769 50 0 FDAAMO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)C[C@H]1CO ZINC000257181454 672630283 /nfs/dbraw/zinc/63/02/83/672630283.db2.gz FOTWWRQSXHSOLY-SMDDNHRTSA-N 1 1 359.239 1.717 50 0 FDAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568944 675436666 /nfs/dbraw/zinc/43/66/66/675436666.db2.gz OUSHVNCMRLWBHC-STQMWFEESA-N 1 1 366.767 1.839 50 0 FDAAMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568944 675436667 /nfs/dbraw/zinc/43/66/67/675436667.db2.gz OUSHVNCMRLWBHC-STQMWFEESA-N 1 1 366.767 1.839 50 0 FDAAMO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3[nH]c4ccccc4c3C)C[C@]2(C(=O)[O-])C1 ZINC000096141621 784523407 /nfs/dbraw/zinc/52/34/07/784523407.db2.gz LCUGQHUWBDKOEU-FOIQADDNSA-N 1 1 357.454 1.941 50 0 FDAAMO COCC[N@H+]1C[C@@H]2C[NH+](Cc3[nH]c4ccccc4c3C)C[C@]2(C(=O)[O-])C1 ZINC000096141621 784523415 /nfs/dbraw/zinc/52/34/15/784523415.db2.gz LCUGQHUWBDKOEU-FOIQADDNSA-N 1 1 357.454 1.941 50 0 FDAAMO COCC[NH+]1C[C@@H]2C[N@H+](Cc3[nH]c4ccccc4c3C)C[C@]2(C(=O)[O-])C1 ZINC000096141621 784523420 /nfs/dbraw/zinc/52/34/20/784523420.db2.gz LCUGQHUWBDKOEU-FOIQADDNSA-N 1 1 357.454 1.941 50 0 FDAAMO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3[nH]c4ccccc4c3C)C[C@]2(C(=O)[O-])C1 ZINC000096141621 784523426 /nfs/dbraw/zinc/52/34/26/784523426.db2.gz LCUGQHUWBDKOEU-FOIQADDNSA-N 1 1 357.454 1.941 50 0 FDAAMO C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000244858409 805761517 /nfs/dbraw/zinc/76/15/17/805761517.db2.gz VKSOPPXVYBJQMI-GOSISDBHSA-N 1 1 361.486 1.752 50 0 FDAAMO CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000244858409 805761540 /nfs/dbraw/zinc/76/15/40/805761540.db2.gz VKSOPPXVYBJQMI-GOSISDBHSA-N 1 1 361.486 1.752 50 0 FDAAMO CN1CC[NH+](CCOc2ccccc2C[N@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000244858409 805761544 /nfs/dbraw/zinc/76/15/44/805761544.db2.gz VKSOPPXVYBJQMI-GOSISDBHSA-N 1 1 361.486 1.752 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@H](c3cc4n(n3)CCCN(C)C4=O)C2)cnn1C ZINC000675009092 795199501 /nfs/dbraw/zinc/19/95/01/795199501.db2.gz FRTUAOVSKXQLKP-HNNXBMFYSA-N 1 1 356.474 1.780 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1scnc1C)CC2 ZINC000675021718 795247626 /nfs/dbraw/zinc/24/76/26/795247626.db2.gz SIXAAYDIOPBHCI-HIFRSBDPSA-N 1 1 359.517 1.181 50 0 FDAAMO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)on1 ZINC000426580753 810728300 /nfs/dbraw/zinc/72/83/00/810728300.db2.gz LCDBJUDLLKNBSC-HNNXBMFYSA-N 1 1 374.489 1.448 50 0 FDAAMO CCN1CCC([NH+]2CCC3(CN(c4ccncn4)C[C@H]3CO)CC2)CC1 ZINC000169789723 864521379 /nfs/dbraw/zinc/52/13/79/864521379.db2.gz KLKDGUICQSBAQI-KRWDZBQOSA-N 1 1 359.518 1.472 50 0 FDAAMO C[N@@H+](C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)C1CCOCC1 ZINC000012455811 882109243 /nfs/dbraw/zinc/10/92/43/882109243.db2.gz BXEWYLDLPVGGPR-IBGZPJMESA-N 1 1 368.424 1.929 50 0 FDAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)Nc1nncs1 ZINC000821777846 919972982 /nfs/dbraw/zinc/97/29/82/919972982.db2.gz ZYWAEBUBKCHLCE-ZDUSSCGKSA-N 1 1 373.482 1.820 50 0 FDAAMO CCC[N@H+]1CCOC2(CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)C1 ZINC000822921672 921033158 /nfs/dbraw/zinc/03/31/58/921033158.db2.gz RUDIAKZNHZGCCM-UHFFFAOYSA-N 1 1 373.453 1.735 50 0 FDAAMO Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC2)cc1 ZINC000825168401 923508149 /nfs/dbraw/zinc/50/81/49/923508149.db2.gz GTYOXLRIUYEJJL-KRWDZBQOSA-N 1 1 355.442 1.009 50 0 FDAAMO C[C@@H](c1nc(CC(N)=O)nn1-c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000826842484 924329675 /nfs/dbraw/zinc/32/96/75/924329675.db2.gz WGCPYPQGIUMFQX-ZDUSSCGKSA-N 1 1 371.441 1.961 50 0 FDAAMO Cc1cc(CC(=O)N2CCC3(CC2)C[N@H+]([C@@H]2CCSC2)CCO3)on1 ZINC000827921397 924776296 /nfs/dbraw/zinc/77/62/96/924776296.db2.gz SEEXOAQUQVFPMC-OAHLLOKOSA-N 1 1 365.499 1.724 50 0 FDAAMO CS(=O)(=O)N1CC[C@@H](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000581783243 927576388 /nfs/dbraw/zinc/57/63/88/927576388.db2.gz MDEDQMUDMRTCAI-KRWDZBQOSA-N 1 1 365.499 1.002 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1cccnc1)CC2 ZINC000581802502 927586973 /nfs/dbraw/zinc/58/69/73/927586973.db2.gz JBVNETCPEPHEEV-SFHVURJKSA-N 1 1 358.486 1.340 50 0 FDAAMO CCNC(=O)Nc1ccc2c(c1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC000581789074 927588446 /nfs/dbraw/zinc/58/84/46/927588446.db2.gz LFMGRZVCKLYVBC-UHFFFAOYSA-N 1 1 357.414 1.754 50 0 FDAAMO C/C=C(\C)C[N@H+]1C[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](C2CC2)C1 ZINC000219562459 943907940 /nfs/dbraw/zinc/90/79/40/943907940.db2.gz DPWXYKSTFFOOOH-TUEHFUIASA-N 1 1 358.486 1.722 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000952981036 960267065 /nfs/dbraw/zinc/26/70/65/960267065.db2.gz RKZUTHFEYPDHGM-KRWDZBQOSA-N 1 1 358.486 1.808 50 0 FDAAMO Cc1ccccc1OC1CCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000952972793 960267309 /nfs/dbraw/zinc/26/73/09/960267309.db2.gz GSLRPXBBSQQGEJ-MRXNPFEDSA-N 1 1 359.470 1.562 50 0 FDAAMO Cn1nccc1C(=O)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000952980090 960279552 /nfs/dbraw/zinc/27/95/52/960279552.db2.gz CKURUSJKJRKHRK-UHFFFAOYSA-N 1 1 367.497 1.843 50 0 FDAAMO CCCOc1ccc(Cl)cc1CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952968325 960283894 /nfs/dbraw/zinc/28/38/94/960283894.db2.gz LLOQYDQBBASUNO-CYBMUJFWSA-N 1 1 367.877 1.942 50 0 FDAAMO COCC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC000952986367 960308804 /nfs/dbraw/zinc/30/88/04/960308804.db2.gz HEYQELLRIBQPAV-GFCCVEGCSA-N 1 1 369.443 1.122 50 0 FDAAMO CNC(=O)c1ccc(Cl)c(NC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000299765349 529940067 /nfs/dbraw/zinc/94/00/67/529940067.db2.gz AGDXDDIJYLJLRD-GFCCVEGCSA-N 1 1 368.865 1.525 50 0 FDAAMO Cc1ccccc1CN(CCO)C(=O)NCC1(CN2CC[NH+](C)CC2)CC1 ZINC000534574431 540383567 /nfs/dbraw/zinc/38/35/67/540383567.db2.gz BVQZUTNRWLRHEL-UHFFFAOYSA-N 1 1 374.529 1.527 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)N2CCC[C@H](c3ccncn3)C2)CC1 ZINC000534634943 540392343 /nfs/dbraw/zinc/39/23/43/540392343.db2.gz NRHUEFUHTLVRCJ-KRWDZBQOSA-N 1 1 360.506 1.393 50 0 FDAAMO C[NH+]1CCN(c2ccc(-c3cccc(C(=O)N[C@@H]4CCOC4)c3)nn2)CC1 ZINC000534636984 540392824 /nfs/dbraw/zinc/39/28/24/540392824.db2.gz IFEAPODBMURLDA-QGZVFWFLSA-N 1 1 367.453 1.414 50 0 FDAAMO CC[C@@H]1C=CCN1C(=O)c1cccc(-c2cc(NCCO)nc(N)[nH+]2)c1 ZINC000534638677 540392923 /nfs/dbraw/zinc/39/29/23/540392923.db2.gz HRTQCLNLFLGDHR-OAHLLOKOSA-N 1 1 353.426 1.343 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3cncc(=O)[nH]3)c2)C1 ZINC000534658208 540395817 /nfs/dbraw/zinc/39/58/17/540395817.db2.gz BFEBNALJNICBKZ-HNNXBMFYSA-N 1 1 370.453 1.525 50 0 FDAAMO CC[C@@H](CNC(=O)N1CC(Oc2ccc(F)cc2)C1)[NH+]1CCN(C)CC1 ZINC000534672470 540398768 /nfs/dbraw/zinc/39/87/68/540398768.db2.gz DPOQAFOSEYRALW-INIZCTEOSA-N 1 1 364.465 1.624 50 0 FDAAMO c1cnn(Cc2ccc(C[N@H+]3CC[C@@H]4OCc5cnnn5[C@H]4C3)cc2)c1 ZINC000299769344 223087280 /nfs/dbraw/zinc/08/72/80/223087280.db2.gz WTLCBSWRMIZXOB-OALUTQOASA-N 1 1 350.426 1.869 50 0 FDAAMO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CSc2nncn2C)C1 ZINC000299776816 223092003 /nfs/dbraw/zinc/09/20/03/223092003.db2.gz MAKUVSLPJYFJKP-HNNXBMFYSA-N 1 1 359.499 1.854 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712559 220088020 /nfs/dbraw/zinc/08/80/20/220088020.db2.gz NAIGWNGQIOHPQX-HNNXBMFYSA-N 1 1 373.906 1.659 50 0 FDAAMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000014251415 220120993 /nfs/dbraw/zinc/12/09/93/220120993.db2.gz RRNZLKAJYSMSRU-AWEZNQCLSA-N 1 1 373.478 1.744 50 0 FDAAMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000014251415 220120997 /nfs/dbraw/zinc/12/09/97/220120997.db2.gz RRNZLKAJYSMSRU-AWEZNQCLSA-N 1 1 373.478 1.744 50 0 FDAAMO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000017075464 220203521 /nfs/dbraw/zinc/20/35/21/220203521.db2.gz KXSWGCKPPBBLBT-AOOOYVTPSA-N 1 1 367.471 1.858 50 0 FDAAMO COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000017075464 220203526 /nfs/dbraw/zinc/20/35/26/220203526.db2.gz KXSWGCKPPBBLBT-AOOOYVTPSA-N 1 1 367.471 1.858 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)CC1 ZINC000019527848 220269270 /nfs/dbraw/zinc/26/92/70/220269270.db2.gz BFPRISHTEPIGPG-UHFFFAOYSA-N 1 1 353.488 1.234 50 0 FDAAMO CNc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)ccn1 ZINC000299789077 533047078 /nfs/dbraw/zinc/04/70/78/533047078.db2.gz VMJGRXLSRFUZOM-HZPDHXFCSA-N 1 1 359.430 1.093 50 0 FDAAMO CNc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)ccn1 ZINC000299789077 533047081 /nfs/dbraw/zinc/04/70/81/533047081.db2.gz VMJGRXLSRFUZOM-HZPDHXFCSA-N 1 1 359.430 1.093 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CNCc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000020235273 220319803 /nfs/dbraw/zinc/31/98/03/220319803.db2.gz OIDAPMJHAYNOHQ-MRXNPFEDSA-N 1 1 371.485 1.381 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNCc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000020235273 220319807 /nfs/dbraw/zinc/31/98/07/220319807.db2.gz OIDAPMJHAYNOHQ-MRXNPFEDSA-N 1 1 371.485 1.381 50 0 FDAAMO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c2cc(OC)c(OC)cc2c1=O ZINC000020116467 220314331 /nfs/dbraw/zinc/31/43/31/220314331.db2.gz HCCXKAPAFCEUHL-UHFFFAOYSA-N 1 1 373.453 1.816 50 0 FDAAMO CC(C)[NH+]1CCN(C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000020534795 220333163 /nfs/dbraw/zinc/33/31/63/220333163.db2.gz PCJXHVIMALBHQW-NRFANRHFSA-N 1 1 359.514 1.609 50 0 FDAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020568094 220333449 /nfs/dbraw/zinc/33/34/49/220333449.db2.gz VCLQCWHXYNJNRZ-GFCCVEGCSA-N 1 1 359.879 1.269 50 0 FDAAMO Cc1nn(CC(=O)N2CC[NH+](C)CC2)c(=O)c2c3ccccc3sc21 ZINC000020466845 220327754 /nfs/dbraw/zinc/32/77/54/220327754.db2.gz LHRNPWUMBRJRCB-UHFFFAOYSA-N 1 1 356.451 1.694 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000020500263 220329385 /nfs/dbraw/zinc/32/93/85/220329385.db2.gz AGPKCYDSTRJIEB-ZDUSSCGKSA-N 1 1 373.906 1.659 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020982277 220346154 /nfs/dbraw/zinc/34/61/54/220346154.db2.gz WIHBHSLZYGTJIL-CYBMUJFWSA-N 1 1 365.499 1.703 50 0 FDAAMO CC[N@@H+]1CCc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2C1 ZINC000020945739 220346518 /nfs/dbraw/zinc/34/65/18/220346518.db2.gz PWQAGSIANLRDOK-UHFFFAOYSA-N 1 1 370.434 1.756 50 0 FDAAMO CC[N@H+]1CCc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2C1 ZINC000020945739 220346519 /nfs/dbraw/zinc/34/65/19/220346519.db2.gz PWQAGSIANLRDOK-UHFFFAOYSA-N 1 1 370.434 1.756 50 0 FDAAMO CCc1ccc(N2CC[C@@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000021045313 220349505 /nfs/dbraw/zinc/34/95/05/220349505.db2.gz FPMMJVOTSSVAQR-IBGZPJMESA-N 1 1 372.513 1.356 50 0 FDAAMO Cc1ccc(N2C[C@@H](NC(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000022664419 220394008 /nfs/dbraw/zinc/39/40/08/220394008.db2.gz KUXAFCPQKILSGA-INIZCTEOSA-N 1 1 360.458 1.122 50 0 FDAAMO CC(C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000040040751 220873522 /nfs/dbraw/zinc/87/35/22/220873522.db2.gz REVFDQKUOPTLCK-KRWDZBQOSA-N 1 1 372.469 1.329 50 0 FDAAMO OCC[NH+]1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000048302930 221006648 /nfs/dbraw/zinc/00/66/48/221006648.db2.gz DMYRGHSOUBVWLP-UHFFFAOYSA-N 1 1 356.348 1.865 50 0 FDAAMO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000058158598 221100798 /nfs/dbraw/zinc/10/07/98/221100798.db2.gz ZGXGAAOFYMSDGC-UHFFFAOYSA-N 1 1 370.494 1.705 50 0 FDAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000058177763 221103312 /nfs/dbraw/zinc/10/33/12/221103312.db2.gz MPDIBENOGAYWET-AZUAARDMSA-N 1 1 374.481 1.986 50 0 FDAAMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000057920459 221095313 /nfs/dbraw/zinc/09/53/13/221095313.db2.gz HZJLOABNUTYCGC-OAHLLOKOSA-N 1 1 362.474 1.935 50 0 FDAAMO COc1ccccc1COC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000057941820 221095855 /nfs/dbraw/zinc/09/58/55/221095855.db2.gz ANUUSDAMJBBMOF-MOPGFXCFSA-N 1 1 364.486 1.369 50 0 FDAAMO COCC[N@@H+](C)CCNC(=O)c1cccc(I)c1 ZINC000058378487 221117105 /nfs/dbraw/zinc/11/71/05/221117105.db2.gz ASHDAQBQPHOPGI-UHFFFAOYSA-N 1 1 362.211 1.599 50 0 FDAAMO CC(C)N(C)S(=O)(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000058561256 221120046 /nfs/dbraw/zinc/12/00/46/221120046.db2.gz PQGYITJNERLCFL-SFHVURJKSA-N 1 1 368.547 1.540 50 0 FDAAMO CCc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000065362529 221202043 /nfs/dbraw/zinc/20/20/43/221202043.db2.gz MMOBYIHGYHDQKL-AWEZNQCLSA-N 1 1 353.488 1.178 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000065458905 221222191 /nfs/dbraw/zinc/22/21/91/221222191.db2.gz KBCNXACEQQYKKJ-IBGZPJMESA-N 1 1 362.437 1.791 50 0 FDAAMO Cc1nc(NCCNC(=O)c2ccc(F)cc2)cc(N2CCOCC2)[nH+]1 ZINC000067602141 221260481 /nfs/dbraw/zinc/26/04/81/221260481.db2.gz RTCFKVKLEPZRML-UHFFFAOYSA-N 1 1 359.405 1.603 50 0 FDAAMO O=C(c1ccc(N[C@@H]2CCC[NH2+]C2)nc1)N1CCC(N2CCOCC2)CC1 ZINC000067603563 221261024 /nfs/dbraw/zinc/26/10/24/221261024.db2.gz DCODPNQTQBSKOZ-QGZVFWFLSA-N 1 1 373.501 1.182 50 0 FDAAMO Cc1ccccc1-n1cc(C2=CC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)CC2)cn1 ZINC000067743349 221280717 /nfs/dbraw/zinc/28/07/17/221280717.db2.gz CQGAOEGZKLJQQR-UHFFFAOYSA-N 1 1 363.421 1.847 50 0 FDAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000067743648 221280849 /nfs/dbraw/zinc/28/08/49/221280849.db2.gz FCXHODNHFAHGHE-INIZCTEOSA-N 1 1 359.470 1.788 50 0 FDAAMO C[N@@H+](Cc1cnc(N)nc1)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067742512 221280906 /nfs/dbraw/zinc/28/09/06/221280906.db2.gz VCFIJUAYVHKYHN-FQEVSTJZSA-N 1 1 369.469 1.087 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n(C)n1 ZINC000067784739 221284231 /nfs/dbraw/zinc/28/42/31/221284231.db2.gz KRPGXHCIOPZIPV-UHFFFAOYSA-N 1 1 361.490 1.045 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)[C@@]13CC[C@@](C)(OC1=O)C3(C)C)CC2 ZINC000067934183 221305200 /nfs/dbraw/zinc/30/52/00/221305200.db2.gz KNFHMWLSSRITEA-QUCCMNQESA-N 1 1 363.502 1.347 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)[C@@]34CC[C@@](C)(OC3=O)C4(C)C)CC2)C1 ZINC000067934183 221305202 /nfs/dbraw/zinc/30/52/02/221305202.db2.gz KNFHMWLSSRITEA-QUCCMNQESA-N 1 1 363.502 1.347 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]34CC[C@@](C)(OC3=O)C4(C)C)CC2)C1 ZINC000067934183 221305204 /nfs/dbraw/zinc/30/52/04/221305204.db2.gz KNFHMWLSSRITEA-QUCCMNQESA-N 1 1 363.502 1.347 50 0 FDAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000067975236 221311476 /nfs/dbraw/zinc/31/14/76/221311476.db2.gz IHMQWRPFCPFNJT-CYBMUJFWSA-N 1 1 357.410 1.605 50 0 FDAAMO Cc1cc(CNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)on1 ZINC000069536144 221326318 /nfs/dbraw/zinc/32/63/18/221326318.db2.gz QIAZENMFRYGXKK-UHFFFAOYSA-N 1 1 366.425 1.790 50 0 FDAAMO COCCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071745590 221358112 /nfs/dbraw/zinc/35/81/12/221358112.db2.gz ZSIMQEVYOFFIAI-SFHVURJKSA-N 1 1 360.502 1.521 50 0 FDAAMO O=C(NCCc1c[nH]cn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071748100 221359511 /nfs/dbraw/zinc/35/95/11/221359511.db2.gz PRLLORFBIUXBHG-MRXNPFEDSA-N 1 1 373.501 1.181 50 0 FDAAMO O=C(NCCc1cnc[nH]1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071748100 221359515 /nfs/dbraw/zinc/35/95/15/221359515.db2.gz PRLLORFBIUXBHG-MRXNPFEDSA-N 1 1 373.501 1.181 50 0 FDAAMO O=C(NCCc1cnc[nH]1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071748100 221359520 /nfs/dbraw/zinc/35/95/20/221359520.db2.gz PRLLORFBIUXBHG-MRXNPFEDSA-N 1 1 373.501 1.181 50 0 FDAAMO Cc1ncoc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748709 221361397 /nfs/dbraw/zinc/36/13/97/221361397.db2.gz OPJYZHVESWUBMN-MRXNPFEDSA-N 1 1 374.485 1.922 50 0 FDAAMO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)C[N@@H+](C)C(C)C ZINC000071760677 221368023 /nfs/dbraw/zinc/36/80/23/221368023.db2.gz MYYLXLNUQWVABJ-UHFFFAOYSA-N 1 1 374.485 1.945 50 0 FDAAMO C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000071830500 221380304 /nfs/dbraw/zinc/38/03/04/221380304.db2.gz ALTNJGPPAOQPLT-QLFBSQMISA-N 1 1 352.504 1.680 50 0 FDAAMO C[C@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000071830500 221380307 /nfs/dbraw/zinc/38/03/07/221380307.db2.gz ALTNJGPPAOQPLT-QLFBSQMISA-N 1 1 352.504 1.680 50 0 FDAAMO COCCCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765471 221373172 /nfs/dbraw/zinc/37/31/72/221373172.db2.gz ONSTUPHSCBGRJK-GOSISDBHSA-N 1 1 374.529 1.911 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC000077541913 132189310 /nfs/dbraw/zinc/18/93/10/132189310.db2.gz NSKRFTCYWNYSQC-GOSISDBHSA-N 1 1 366.469 1.909 50 0 FDAAMO CCn1ccnc1[C@H]1CCCN(c2cc(N3CC[NH+](C)CC3)nc(N)n2)C1 ZINC000091440305 132201886 /nfs/dbraw/zinc/20/18/86/132201886.db2.gz MRJXJBTWAZTJHY-HNNXBMFYSA-N 1 1 370.505 1.411 50 0 FDAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCN(c2cc(C)cc(C)c2)C(=O)C1 ZINC000091965510 132204990 /nfs/dbraw/zinc/20/49/90/132204990.db2.gz OSCRBQXJSRYULQ-GOSISDBHSA-N 1 1 355.442 1.519 50 0 FDAAMO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](Nc2cc(N)[nH+]cn2)C1 ZINC000092002198 132205450 /nfs/dbraw/zinc/20/54/50/132205450.db2.gz HRXWNXRGZITCEC-ZDUSSCGKSA-N 1 1 355.446 1.811 50 0 FDAAMO CCc1cc(N2CCC([NH2+]Cc3cc[nH]n3)CC2)nc(N2CCOCC2)n1 ZINC000095526425 132214683 /nfs/dbraw/zinc/21/46/83/132214683.db2.gz IVYBEFDXKHMROI-UHFFFAOYSA-N 1 1 371.489 1.357 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(c2cc(C(=O)N3CCOCC3)ccn2)CC1 ZINC000096163667 132221576 /nfs/dbraw/zinc/22/15/76/132221576.db2.gz NCWDPSVLQLQNJP-UHFFFAOYSA-N 1 1 367.453 1.584 50 0 FDAAMO CCOC(=O)c1c[nH+]ccc1N1CCC(N(CC)S(C)(=O)=O)CC1 ZINC000170603430 132264446 /nfs/dbraw/zinc/26/44/46/132264446.db2.gz LRLJBCBMNXKZOX-UHFFFAOYSA-N 1 1 355.460 1.509 50 0 FDAAMO COc1cc2c(cc1C[NH+]1CCN(c3cnn(C)c(=O)c3)CC1)CCC2 ZINC000020137280 132267371 /nfs/dbraw/zinc/26/73/71/132267371.db2.gz VSVLCGUQERFKLD-UHFFFAOYSA-N 1 1 354.454 1.600 50 0 FDAAMO Nc1nc(N2CC[NH+](Cc3ccccc3-c3ccco3)CC2)cc(=O)[nH]1 ZINC000215277127 132269828 /nfs/dbraw/zinc/26/98/28/132269828.db2.gz MSNJPJVOKXNGPA-UHFFFAOYSA-N 1 1 351.410 1.934 50 0 FDAAMO Nc1nc(=O)cc(N2CC[NH+](Cc3ccccc3-c3ccco3)CC2)[nH]1 ZINC000215277127 132269830 /nfs/dbraw/zinc/26/98/30/132269830.db2.gz MSNJPJVOKXNGPA-UHFFFAOYSA-N 1 1 351.410 1.934 50 0 FDAAMO CN(C)c1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071747374 136140045 /nfs/dbraw/zinc/14/00/45/136140045.db2.gz GESYBHGBYBCICL-HNNXBMFYSA-N 1 1 372.517 1.502 50 0 FDAAMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)nc2)C1 ZINC000072156665 136143010 /nfs/dbraw/zinc/14/30/10/136143010.db2.gz GJIRIMXPSDIWPP-KRWDZBQOSA-N 1 1 356.474 1.730 50 0 FDAAMO OCC[C@H]1CN(c2ncnc3nc[nH]c32)CC[N@H+]1CCc1ccccc1 ZINC000072419924 136145817 /nfs/dbraw/zinc/14/58/17/136145817.db2.gz ZPKIDVNDFIGFSP-INIZCTEOSA-N 1 1 352.442 1.469 50 0 FDAAMO OCC[C@H]1CN(c2ncnc3[nH]cnc32)CC[N@@H+]1CCc1ccccc1 ZINC000072419924 136145818 /nfs/dbraw/zinc/14/58/18/136145818.db2.gz ZPKIDVNDFIGFSP-INIZCTEOSA-N 1 1 352.442 1.469 50 0 FDAAMO OCC[C@H]1CN(c2ncnc3[nH]cnc32)CC[N@H+]1CCc1ccccc1 ZINC000072419924 136145819 /nfs/dbraw/zinc/14/58/19/136145819.db2.gz ZPKIDVNDFIGFSP-INIZCTEOSA-N 1 1 352.442 1.469 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4nc[nH]c43)C[C@@H]2CCO)cc1 ZINC000072428628 136146676 /nfs/dbraw/zinc/14/66/76/136146676.db2.gz ITTYVCVDHWWCNI-INIZCTEOSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]cnc43)C[C@@H]2CCO)cc1 ZINC000072428628 136146677 /nfs/dbraw/zinc/14/66/77/136146677.db2.gz ITTYVCVDHWWCNI-INIZCTEOSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4[nH]cnc43)C[C@@H]2CCO)cc1 ZINC000072428628 136146678 /nfs/dbraw/zinc/14/66/78/136146678.db2.gz ITTYVCVDHWWCNI-INIZCTEOSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@H](O)C3)n1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000072428596 136146706 /nfs/dbraw/zinc/14/67/06/136146706.db2.gz FOCIRKUTXGVSJM-KRWDZBQOSA-N 1 1 353.470 1.742 50 0 FDAAMO O=S(=O)(Cc1ccccc1C[NH2+]Cc1ccccn1)N1CCOCC1 ZINC000067693168 172012888 /nfs/dbraw/zinc/01/28/88/172012888.db2.gz TXPVMDOEKFFEKY-UHFFFAOYSA-N 1 1 361.467 1.533 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)C[N@H+]1C1CCOCC1 ZINC000096164980 222064391 /nfs/dbraw/zinc/06/43/91/222064391.db2.gz HQBMVYOOVMSTLZ-WBVHZDCISA-N 1 1 363.458 1.500 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1nncn1C)CC2 ZINC000096167058 222066442 /nfs/dbraw/zinc/06/64/42/222066442.db2.gz PURPLIGTLOHUGS-UHFFFAOYSA-N 1 1 371.489 1.257 50 0 FDAAMO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000096471171 222121230 /nfs/dbraw/zinc/12/12/30/222121230.db2.gz CQUYHQQHEAJYFO-HNNXBMFYSA-N 1 1 354.362 1.846 50 0 FDAAMO Cc1ccc(NC(=O)NCCCc2ncc[nH]2)cc1NC(=O)C[NH+](C)C ZINC000097413372 222180915 /nfs/dbraw/zinc/18/09/15/222180915.db2.gz NUPZIYHNQOSFGW-UHFFFAOYSA-N 1 1 358.446 1.973 50 0 FDAAMO O=C(NC[C@H](c1cccnc1)N1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000097805511 222214209 /nfs/dbraw/zinc/21/42/09/222214209.db2.gz XVPBLKVMZSAJMO-LJQANCHMSA-N 1 1 360.502 1.429 50 0 FDAAMO C[NH+](C)CCCNc1c(=O)c(=O)c1NC1CCN(Cc2ccccc2)CC1 ZINC000101678340 222280534 /nfs/dbraw/zinc/28/05/34/222280534.db2.gz JDGVELITGVWSKR-UHFFFAOYSA-N 1 1 370.497 1.723 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccco1 ZINC000102610374 222300851 /nfs/dbraw/zinc/30/08/51/222300851.db2.gz SUDPGEQRTQVOHP-SOUVJXGZSA-N 1 1 359.426 1.340 50 0 FDAAMO C[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000107422377 222394288 /nfs/dbraw/zinc/39/42/88/222394288.db2.gz ZLESOTQXZISDFN-OAQYLSRUSA-N 1 1 371.481 1.924 50 0 FDAAMO CN1CC[N@H+](Cc2cc3ccccc3o2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000107422377 222394291 /nfs/dbraw/zinc/39/42/91/222394291.db2.gz ZLESOTQXZISDFN-OAQYLSRUSA-N 1 1 371.481 1.924 50 0 FDAAMO CN1CC[N@@H+](Cc2cc3ccccc3o2)C[C@]12CCC(=O)N(CCO)CC2 ZINC000107422377 222394292 /nfs/dbraw/zinc/39/42/92/222394292.db2.gz ZLESOTQXZISDFN-OAQYLSRUSA-N 1 1 371.481 1.924 50 0 FDAAMO C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1c(F)cncc1F ZINC000288787422 258778748 /nfs/dbraw/zinc/77/87/48/258778748.db2.gz YXZSFKQIRZHWJE-XUJVJEKNSA-N 1 1 354.401 1.783 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000009646154 263362471 /nfs/dbraw/zinc/36/24/71/263362471.db2.gz SBGVJYRDLSYDCW-UHFFFAOYSA-N 1 1 359.879 1.368 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCN(CCO)CC1 ZINC000426387068 263573009 /nfs/dbraw/zinc/57/30/09/263573009.db2.gz JLFYPOIWKKBVQP-IBGZPJMESA-N 1 1 360.502 1.186 50 0 FDAAMO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002450679 518242429 /nfs/dbraw/zinc/24/24/29/518242429.db2.gz LLEIKIUFFQDFRZ-UHFFFAOYSA-N 1 1 372.425 1.399 50 0 FDAAMO Cc1cccc(CN2[NH+]=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000004316615 518293605 /nfs/dbraw/zinc/29/36/05/518293605.db2.gz CJIWKIOEQPWWPR-UHFFFAOYSA-N 1 1 352.398 1.138 50 0 FDAAMO COc1ccc(N2C(=O)C[C@@H]([N@H+](CCO)Cc3ccccc3)C2=O)cc1 ZINC000004915391 518318747 /nfs/dbraw/zinc/31/87/47/518318747.db2.gz FXHZKZLQWRFUKK-GOSISDBHSA-N 1 1 354.406 1.822 50 0 FDAAMO COc1ccc(N2C(=O)C[C@@H]([N@@H+](CCO)Cc3ccccc3)C2=O)cc1 ZINC000004915391 518318749 /nfs/dbraw/zinc/31/87/49/518318749.db2.gz FXHZKZLQWRFUKK-GOSISDBHSA-N 1 1 354.406 1.822 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2)[C@H](O)C1 ZINC000299766841 534357753 /nfs/dbraw/zinc/35/77/53/534357753.db2.gz SLBJOFWQNLXASA-SJLPKXTDSA-N 1 1 359.426 1.671 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(O)c2)[C@H](O)C1 ZINC000299766841 534357756 /nfs/dbraw/zinc/35/77/56/534357756.db2.gz SLBJOFWQNLXASA-SJLPKXTDSA-N 1 1 359.426 1.671 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCNc1nc(Cl)nc2nc[nH]c21 ZINC000009530502 518510199 /nfs/dbraw/zinc/51/01/99/518510199.db2.gz MZOISPPSQSFVLT-NSHDSACASA-N 1 1 365.869 1.799 50 0 FDAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)c(OC)c1 ZINC000011898924 518578315 /nfs/dbraw/zinc/57/83/15/518578315.db2.gz FLPIYNDPHZNCEY-INIZCTEOSA-N 1 1 374.441 1.400 50 0 FDAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccccc1)CC2 ZINC000012167479 518592364 /nfs/dbraw/zinc/59/23/64/518592364.db2.gz VGSMCPMYQGWHHC-HNNXBMFYSA-N 1 1 357.458 1.550 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000012304516 518602707 /nfs/dbraw/zinc/60/27/07/518602707.db2.gz AHYUAIPXLJAXGL-KRWDZBQOSA-N 1 1 362.449 1.073 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000012304516 518602710 /nfs/dbraw/zinc/60/27/10/518602710.db2.gz AHYUAIPXLJAXGL-KRWDZBQOSA-N 1 1 362.449 1.073 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCCOc1cccnc1 ZINC000012449461 518614436 /nfs/dbraw/zinc/61/44/36/518614436.db2.gz IMOKJOLPNJYPJY-MRXNPFEDSA-N 1 1 362.474 1.203 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCCOc1cccnc1 ZINC000012449461 518614443 /nfs/dbraw/zinc/61/44/43/518614443.db2.gz IMOKJOLPNJYPJY-MRXNPFEDSA-N 1 1 362.474 1.203 50 0 FDAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000012994857 518647385 /nfs/dbraw/zinc/64/73/85/518647385.db2.gz BJWDWXUDOBNXGP-GOSISDBHSA-N 1 1 353.422 1.706 50 0 FDAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000012994857 518647391 /nfs/dbraw/zinc/64/73/91/518647391.db2.gz BJWDWXUDOBNXGP-GOSISDBHSA-N 1 1 353.422 1.706 50 0 FDAAMO Cn1c2ccccc2n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000014141128 518677526 /nfs/dbraw/zinc/67/75/26/518677526.db2.gz QZWROUWKOGHLOA-UHFFFAOYSA-N 1 1 364.449 1.684 50 0 FDAAMO CNC(=O)NC(=O)[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000023717880 518962807 /nfs/dbraw/zinc/96/28/07/518962807.db2.gz GXDSCCPRBKSWLV-PBHICJAKSA-N 1 1 355.394 1.613 50 0 FDAAMO NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023695385 518963438 /nfs/dbraw/zinc/96/34/38/518963438.db2.gz XASKKDINMHXKBO-SFHVURJKSA-N 1 1 352.438 1.740 50 0 FDAAMO COCCN1C(=O)C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1=O ZINC000024573690 518996326 /nfs/dbraw/zinc/99/63/26/518996326.db2.gz WEVAKURTHRBUGP-HNNXBMFYSA-N 1 1 357.410 1.781 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000032863561 519546013 /nfs/dbraw/zinc/54/60/13/519546013.db2.gz OYHWKTJSHBEPHN-LJQANCHMSA-N 1 1 360.502 1.875 50 0 FDAAMO CC(=O)c1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000032907370 519549165 /nfs/dbraw/zinc/54/91/65/519549165.db2.gz AGTBDSCPTJIPRI-AEFFLSMTSA-N 1 1 361.442 1.748 50 0 FDAAMO Cc1nn(C)c2ncc(C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000032920960 519553145 /nfs/dbraw/zinc/55/31/45/519553145.db2.gz OHLLYRXFIMKGPR-BETUJISGSA-N 1 1 359.474 1.894 50 0 FDAAMO Cc1nn(C)c2ncc(C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000032920960 519553151 /nfs/dbraw/zinc/55/31/51/519553151.db2.gz OHLLYRXFIMKGPR-BETUJISGSA-N 1 1 359.474 1.894 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](C(=O)OC)[C@H](O)c2ccncc2)C1 ZINC000034857479 519597698 /nfs/dbraw/zinc/59/76/98/519597698.db2.gz LWELLZIVNOSXIC-OWCLPIDISA-N 1 1 350.415 1.179 50 0 FDAAMO CCc1ccc(N2C[C@@H](C(=O)N3CC[NH+](CCOC)CC3)CC2=O)cc1 ZINC000034916365 519599625 /nfs/dbraw/zinc/59/96/25/519599625.db2.gz DVBSUESKZYCPEO-KRWDZBQOSA-N 1 1 359.470 1.393 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)CCc3nc(Cl)n[nH]3)cc2C1 ZINC000082134087 519732178 /nfs/dbraw/zinc/73/21/78/519732178.db2.gz UMBWRJJUYGXFEM-UHFFFAOYSA-N 1 1 365.869 1.375 50 0 FDAAMO CC(C)n1cc(C[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)cn1 ZINC000082106676 519949718 /nfs/dbraw/zinc/94/97/18/519949718.db2.gz OGTXOBHDDDDACO-UHFFFAOYSA-N 1 1 366.491 1.116 50 0 FDAAMO CC(C)n1cc(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)cn1 ZINC000082106676 519949723 /nfs/dbraw/zinc/94/97/23/519949723.db2.gz OGTXOBHDDDDACO-UHFFFAOYSA-N 1 1 366.491 1.116 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019809520 520953049 /nfs/dbraw/zinc/95/30/49/520953049.db2.gz ZOJLWVWOOJJRMD-OAHLLOKOSA-N 1 1 366.414 1.067 50 0 FDAAMO Cc1cccnc1NCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000072120853 522152636 /nfs/dbraw/zinc/15/26/36/522152636.db2.gz JBJVPMUUTWAJBS-INIZCTEOSA-N 1 1 359.474 1.051 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000072121751 522152861 /nfs/dbraw/zinc/15/28/61/522152861.db2.gz IQACDHJSIBTGKH-SFHVURJKSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000072121751 522152873 /nfs/dbraw/zinc/15/28/73/522152873.db2.gz IQACDHJSIBTGKH-SFHVURJKSA-N 1 1 358.486 1.809 50 0 FDAAMO CCOCCn1nc(C)cc1C(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072129361 522158234 /nfs/dbraw/zinc/15/82/34/522158234.db2.gz UXLXHWFMNPDBBU-KRWDZBQOSA-N 1 1 364.490 1.289 50 0 FDAAMO O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000072129475 522159906 /nfs/dbraw/zinc/15/99/06/522159906.db2.gz FRCRDXFWZCSIIY-ZDUSSCGKSA-N 1 1 361.396 1.915 50 0 FDAAMO O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000072129475 522159917 /nfs/dbraw/zinc/15/99/17/522159917.db2.gz FRCRDXFWZCSIIY-ZDUSSCGKSA-N 1 1 361.396 1.915 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)NCCCO ZINC000072133598 522162099 /nfs/dbraw/zinc/16/20/99/522162099.db2.gz FMEGVUIFMLAWJH-GOSISDBHSA-N 1 1 355.438 1.029 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)NCCCO ZINC000072133598 522162100 /nfs/dbraw/zinc/16/21/00/522162100.db2.gz FMEGVUIFMLAWJH-GOSISDBHSA-N 1 1 355.438 1.029 50 0 FDAAMO CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072152777 522179825 /nfs/dbraw/zinc/17/98/25/522179825.db2.gz CUPWVTVBBDVLBJ-LJQANCHMSA-N 1 1 351.450 1.755 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072165307 522191160 /nfs/dbraw/zinc/19/11/60/522191160.db2.gz HIBKXUZDHOOTEO-CDHQVMDDSA-N 1 1 357.454 1.366 50 0 FDAAMO CN(C)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072165307 522191179 /nfs/dbraw/zinc/19/11/79/522191179.db2.gz HIBKXUZDHOOTEO-CDHQVMDDSA-N 1 1 357.454 1.366 50 0 FDAAMO CC(C)c1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)cs1 ZINC000072166380 522194178 /nfs/dbraw/zinc/19/41/78/522194178.db2.gz XDKAJXTUPXXVFS-AWEZNQCLSA-N 1 1 351.472 1.144 50 0 FDAAMO CC(=O)Nc1ccc2nc(C[N@@H+]3CCN[C@H](C(=O)NC4CC4)C3)ccc2c1 ZINC000072172577 522198575 /nfs/dbraw/zinc/19/85/75/522198575.db2.gz MTXDYZQNKFJKEM-IBGZPJMESA-N 1 1 367.453 1.246 50 0 FDAAMO CC(=O)Nc1ccc2nc(C[N@H+]3CCN[C@H](C(=O)NC4CC4)C3)ccc2c1 ZINC000072172577 522198582 /nfs/dbraw/zinc/19/85/82/522198582.db2.gz MTXDYZQNKFJKEM-IBGZPJMESA-N 1 1 367.453 1.246 50 0 FDAAMO COc1c[nH]c(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1=O ZINC000072174036 522202093 /nfs/dbraw/zinc/20/20/93/522202093.db2.gz CTTSKNXDWHNRKV-QGZVFWFLSA-N 1 1 367.449 1.699 50 0 FDAAMO CC(C)CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046141022 522234560 /nfs/dbraw/zinc/23/45/60/522234560.db2.gz XRBXARFKKLZMPG-UHFFFAOYSA-N 1 1 371.478 1.159 50 0 FDAAMO OCCNc1nc(-c2ccco2)nc2c1CC[N@@H+](Cc1c[nH]cn1)CC2 ZINC000072409422 522240469 /nfs/dbraw/zinc/24/04/69/522240469.db2.gz HSMTURZYQOVAER-UHFFFAOYSA-N 1 1 354.414 1.465 50 0 FDAAMO OCCNc1nc(-c2ccco2)nc2c1CC[N@H+](Cc1cnc[nH]1)CC2 ZINC000072409422 522240473 /nfs/dbraw/zinc/24/04/73/522240473.db2.gz HSMTURZYQOVAER-UHFFFAOYSA-N 1 1 354.414 1.465 50 0 FDAAMO OCCNc1nc(-c2ccco2)nc2c1CC[N@@H+](Cc1cnc[nH]1)CC2 ZINC000072409422 522240482 /nfs/dbraw/zinc/24/04/82/522240482.db2.gz HSMTURZYQOVAER-UHFFFAOYSA-N 1 1 354.414 1.465 50 0 FDAAMO Cc1nc[nH]c1CN1CCc2ncnc(N3CC[C@H]([NH+](C)C)C3)c2CC1 ZINC000072421945 522253556 /nfs/dbraw/zinc/25/35/56/522253556.db2.gz ZTJIZXFJFAKSMN-HNNXBMFYSA-N 1 1 355.490 1.249 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCn3nnc4ccccc43)CC2)C[C@H](C)O1 ZINC000072430348 522266917 /nfs/dbraw/zinc/26/69/17/522266917.db2.gz YOEJFGAESVPMRB-IYBDPMFKSA-N 1 1 371.485 1.922 50 0 FDAAMO CCc1nnc(SCC(=O)N2CCn3nc(C[N@@H+](C)CC)cc3C2)o1 ZINC000072430287 522266973 /nfs/dbraw/zinc/26/69/73/522266973.db2.gz NLVFSYDKFTUBTO-UHFFFAOYSA-N 1 1 364.475 1.415 50 0 FDAAMO CCc1nnc(SCC(=O)N2CCn3nc(C[N@H+](C)CC)cc3C2)o1 ZINC000072430287 522266978 /nfs/dbraw/zinc/26/69/78/522266978.db2.gz NLVFSYDKFTUBTO-UHFFFAOYSA-N 1 1 364.475 1.415 50 0 FDAAMO C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)c3ccnc(Cl)c3)C2)CC1 ZINC000072435156 522275350 /nfs/dbraw/zinc/27/53/50/522275350.db2.gz JCZGVZQTCHUIRF-LSDHHAIUSA-N 1 1 364.877 1.798 50 0 FDAAMO Nc1nc2n[nH]cc2c(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072469093 522291178 /nfs/dbraw/zinc/29/11/78/522291178.db2.gz YIAQKYCIBAZLJB-AWEZNQCLSA-N 1 1 353.430 1.008 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3c(C)cc(C)nc3=O)CC2)c1 ZINC000072469873 522293606 /nfs/dbraw/zinc/29/36/06/522293606.db2.gz YVNWBCFNYFJFBX-UHFFFAOYSA-N 1 1 354.454 1.513 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCCC2)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072476635 522300676 /nfs/dbraw/zinc/30/06/76/522300676.db2.gz TWCQZZYCLIBBCA-UHFFFAOYSA-N 1 1 370.501 1.960 50 0 FDAAMO Cc1nn2c(nc(C)cc2NC2CC[NH+](CC(=O)NC3CC3)CC2)c1C ZINC000072479179 522302409 /nfs/dbraw/zinc/30/24/09/522302409.db2.gz IGMXYCHCKDRWNY-UHFFFAOYSA-N 1 1 356.474 1.809 50 0 FDAAMO COc1cccc([C@H](CNS(=O)(=O)c2c(C)noc2C)[NH+](C)C)c1 ZINC000047032914 522429805 /nfs/dbraw/zinc/42/98/05/522429805.db2.gz RWBYSXNUDIJUDT-HNNXBMFYSA-N 1 1 353.444 1.881 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(C(=O)c2ccon2)CC1 ZINC000091625896 523208878 /nfs/dbraw/zinc/20/88/78/523208878.db2.gz GMZYLEOULXDFHS-UHFFFAOYSA-N 1 1 369.429 1.859 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CC(=O)N(C)C)C3)CCC2=O)cn1 ZINC000077322870 523296018 /nfs/dbraw/zinc/29/60/18/523296018.db2.gz JXVUQIHAYXDFBH-IBGZPJMESA-N 1 1 359.474 1.078 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](C2CSCCSC2)C[C@H]1O)c1ccncc1 ZINC000077394637 523323609 /nfs/dbraw/zinc/32/36/09/523323609.db2.gz YXWCYRHBNBWNNP-HUUCEWRRSA-N 1 1 353.513 1.095 50 0 FDAAMO COC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082121062 523428981 /nfs/dbraw/zinc/42/89/81/523428981.db2.gz AXPOHNSGIUOVRG-INIZCTEOSA-N 1 1 360.458 1.641 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000252457242 523731614 /nfs/dbraw/zinc/73/16/14/523731614.db2.gz QVMWWBVEPIOJJD-HNAYVOBHSA-N 1 1 358.442 1.884 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000252457242 523731621 /nfs/dbraw/zinc/73/16/21/523731621.db2.gz QVMWWBVEPIOJJD-HNAYVOBHSA-N 1 1 358.442 1.884 50 0 FDAAMO C[N@@H+]1CC=C(CCNC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000089374934 523746216 /nfs/dbraw/zinc/74/62/16/523746216.db2.gz XKDDHOQZSMGRNM-UHFFFAOYSA-N 1 1 363.483 1.608 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)cc2C1 ZINC000082096774 524210110 /nfs/dbraw/zinc/21/01/10/524210110.db2.gz WTAMOHMQDHKTDM-QGZVFWFLSA-N 1 1 374.485 1.991 50 0 FDAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1O ZINC000091270375 524686887 /nfs/dbraw/zinc/68/68/87/524686887.db2.gz WCDKHBVADIKKGG-YYIAUSFCSA-N 1 1 362.470 1.490 50 0 FDAAMO Cc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc1 ZINC000091325864 524690702 /nfs/dbraw/zinc/69/07/02/524690702.db2.gz PQPXRYKBXZFPAN-INIZCTEOSA-N 1 1 359.470 1.562 50 0 FDAAMO Cc1nc2cc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)ccc2[nH]1 ZINC000091321899 524692361 /nfs/dbraw/zinc/69/23/61/524692361.db2.gz WXABSHWUZOMZSP-IAGOWNOFSA-N 1 1 373.501 1.045 50 0 FDAAMO Cc1nc2cc(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)ccc2[nH]1 ZINC000091321899 524692367 /nfs/dbraw/zinc/69/23/67/524692367.db2.gz WXABSHWUZOMZSP-IAGOWNOFSA-N 1 1 373.501 1.045 50 0 FDAAMO CC(=O)c1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000091416966 524701285 /nfs/dbraw/zinc/70/12/85/524701285.db2.gz PVORKMDBNBDKFD-HRYATBACSA-N 1 1 374.481 1.679 50 0 FDAAMO CC(=O)c1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000091416966 524701294 /nfs/dbraw/zinc/70/12/94/524701294.db2.gz PVORKMDBNBDKFD-HRYATBACSA-N 1 1 374.481 1.679 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@@H](c2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 ZINC000091677943 524760172 /nfs/dbraw/zinc/76/01/72/524760172.db2.gz CFIMRHVNMBXBKQ-LLVKDONJSA-N 1 1 369.347 1.831 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](c2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 ZINC000091677943 524760181 /nfs/dbraw/zinc/76/01/81/524760181.db2.gz CFIMRHVNMBXBKQ-LLVKDONJSA-N 1 1 369.347 1.831 50 0 FDAAMO Cc1cc(F)ccc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091779808 524781077 /nfs/dbraw/zinc/78/10/77/524781077.db2.gz PJHWNEYTYQLNLK-HZPDHXFCSA-N 1 1 351.466 1.308 50 0 FDAAMO Cc1cc(F)ccc1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091779808 524781085 /nfs/dbraw/zinc/78/10/85/524781085.db2.gz PJHWNEYTYQLNLK-HZPDHXFCSA-N 1 1 351.466 1.308 50 0 FDAAMO CCc1nc(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n[nH]1 ZINC000091792896 524785049 /nfs/dbraw/zinc/78/50/49/524785049.db2.gz FUQJWROXGOWPGE-ZIAGYGMSSA-N 1 1 367.519 1.012 50 0 FDAAMO CCc1n[nH]c(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091792896 524785056 /nfs/dbraw/zinc/78/50/56/524785056.db2.gz FUQJWROXGOWPGE-ZIAGYGMSSA-N 1 1 367.519 1.012 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2C)C[C@@H]1CO ZINC000091831096 524795061 /nfs/dbraw/zinc/79/50/61/524795061.db2.gz BVOQZQYOJCKABP-HUUCEWRRSA-N 1 1 354.878 1.643 50 0 FDAAMO Cc1csc(S(=O)(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000091877109 524806507 /nfs/dbraw/zinc/80/65/07/524806507.db2.gz GPJLEFLNGDOLJI-INIZCTEOSA-N 1 1 371.528 1.374 50 0 FDAAMO Cc1csc(S(=O)(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1 ZINC000091877109 524806517 /nfs/dbraw/zinc/80/65/17/524806517.db2.gz GPJLEFLNGDOLJI-INIZCTEOSA-N 1 1 371.528 1.374 50 0 FDAAMO Cc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091987779 524824704 /nfs/dbraw/zinc/82/47/04/524824704.db2.gz XRQUEKLYRNDBNL-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091987779 524824713 /nfs/dbraw/zinc/82/47/13/524824713.db2.gz XRQUEKLYRNDBNL-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091987779 524824719 /nfs/dbraw/zinc/82/47/19/524824719.db2.gz XRQUEKLYRNDBNL-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091997607 524826126 /nfs/dbraw/zinc/82/61/26/524826126.db2.gz WOMJYHOTYDYHCV-HZPDHXFCSA-N 1 1 351.466 1.308 50 0 FDAAMO Cc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091997607 524826136 /nfs/dbraw/zinc/82/61/36/524826136.db2.gz WOMJYHOTYDYHCV-HZPDHXFCSA-N 1 1 351.466 1.308 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)C1=O ZINC000092001488 524827632 /nfs/dbraw/zinc/82/76/32/524827632.db2.gz UQMOJGKVVBPKEQ-GOSISDBHSA-N 1 1 360.414 1.791 50 0 FDAAMO CC(C)c1nnsc1C[N@@H+]1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000092096785 524847612 /nfs/dbraw/zinc/84/76/12/524847612.db2.gz OBAWORUMPOCZLR-CVEARBPZSA-N 1 1 368.547 1.957 50 0 FDAAMO CC(C)c1nnsc1C[N@H+]1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000092096785 524847624 /nfs/dbraw/zinc/84/76/24/524847624.db2.gz OBAWORUMPOCZLR-CVEARBPZSA-N 1 1 368.547 1.957 50 0 FDAAMO CCCc1nc(C(=O)N[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2C2CC2)cs1 ZINC000092107729 524850460 /nfs/dbraw/zinc/85/04/60/524850460.db2.gz KRVOSYKYABBSAW-OLZOCXBDSA-N 1 1 350.488 1.282 50 0 FDAAMO CCCc1nc(C(=O)N[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C2CC2)cs1 ZINC000092107729 524850472 /nfs/dbraw/zinc/85/04/72/524850472.db2.gz KRVOSYKYABBSAW-OLZOCXBDSA-N 1 1 350.488 1.282 50 0 FDAAMO Nc1nnc(CCCNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)s1 ZINC000095355105 525029561 /nfs/dbraw/zinc/02/95/61/525029561.db2.gz VRDCQOZVUULSMG-GFCCVEGCSA-N 1 1 353.492 1.060 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)NCCF)c1 ZINC000095365691 525039447 /nfs/dbraw/zinc/03/94/47/525039447.db2.gz BWGRMTRLDYMFBA-CQSZACIVSA-N 1 1 357.451 1.149 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)[NH+](C)C)c1 ZINC000095365504 525040312 /nfs/dbraw/zinc/04/03/12/525040312.db2.gz SUYGAWIDECWIFT-GOSISDBHSA-N 1 1 354.454 1.910 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)Cc3ccccc3OC)CC[N@H+]2C)CCC1=O ZINC000095365336 525040538 /nfs/dbraw/zinc/04/05/38/525040538.db2.gz QRTWWDZUJHZTHH-OAQYLSRUSA-N 1 1 373.497 1.783 50 0 FDAAMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 ZINC000095383060 525057158 /nfs/dbraw/zinc/05/71/58/525057158.db2.gz KVMCFZLSUKTOQB-ZTNVVHBJSA-N 1 1 364.511 1.808 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCC(O)(c2cccnc2)CC1 ZINC000095384528 525058057 /nfs/dbraw/zinc/05/80/57/525058057.db2.gz STEOSFOTYAPDPX-KRWDZBQOSA-N 1 1 373.497 1.783 50 0 FDAAMO Cc1nc(SCCNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)n[nH]1 ZINC000095385246 525060565 /nfs/dbraw/zinc/06/05/65/525060565.db2.gz XKEYTPRMSZRCHD-CYBMUJFWSA-N 1 1 353.492 1.212 50 0 FDAAMO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)[nH]1 ZINC000095385246 525060573 /nfs/dbraw/zinc/06/05/73/525060573.db2.gz XKEYTPRMSZRCHD-CYBMUJFWSA-N 1 1 353.492 1.212 50 0 FDAAMO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)[nH]1 ZINC000095385246 525060583 /nfs/dbraw/zinc/06/05/83/525060583.db2.gz XKEYTPRMSZRCHD-CYBMUJFWSA-N 1 1 353.492 1.212 50 0 FDAAMO CCOC(=O)N1CCC(NC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000095392852 525064853 /nfs/dbraw/zinc/06/48/53/525064853.db2.gz XUODLAUUBWSKHS-KRWDZBQOSA-N 1 1 360.458 1.956 50 0 FDAAMO CSC[C@@H](CCO)Nc1nc(N[C@H](CCO)CSC)c(C)c[nH+]1 ZINC000095409763 525066547 /nfs/dbraw/zinc/06/65/47/525066547.db2.gz KQMGKWQYDRVZFE-CHWSQXEVSA-N 1 1 360.549 1.837 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O ZINC000095474608 525075838 /nfs/dbraw/zinc/07/58/38/525075838.db2.gz BQEGETREHRINEY-AWEZNQCLSA-N 1 1 374.441 1.014 50 0 FDAAMO Cc1cc(C)nc(NCCC(=O)N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000095473603 525076874 /nfs/dbraw/zinc/07/68/74/525076874.db2.gz IFCMKNVXCAOGMA-UHFFFAOYSA-N 1 1 368.485 1.677 50 0 FDAAMO O=C1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CCN1 ZINC000095502881 525086206 /nfs/dbraw/zinc/08/62/06/525086206.db2.gz SCKGXDVTEIWLHS-GOSISDBHSA-N 1 1 361.486 1.234 50 0 FDAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C(C)=O ZINC000095509026 525090730 /nfs/dbraw/zinc/09/07/30/525090730.db2.gz HZRJJDYDYIDXIK-QGZVFWFLSA-N 1 1 358.482 1.930 50 0 FDAAMO O=C(Cn1cnc2ccccc21)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095519777 525097498 /nfs/dbraw/zinc/09/74/98/525097498.db2.gz SSVGVACRMGREAR-GOSISDBHSA-N 1 1 364.449 1.742 50 0 FDAAMO O=C(Cn1cnc2ccccc21)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095519778 525097859 /nfs/dbraw/zinc/09/78/59/525097859.db2.gz SSVGVACRMGREAR-SFHVURJKSA-N 1 1 364.449 1.742 50 0 FDAAMO O=C(CN1CCCCCC1=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095527470 525103594 /nfs/dbraw/zinc/10/35/94/525103594.db2.gz HWOUTKHOZXYLAZ-SFHVURJKSA-N 1 1 359.470 1.094 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)NCc1nnnn1-c1ccccc1)[NH+](C)C ZINC000095531022 525106459 /nfs/dbraw/zinc/10/64/59/525106459.db2.gz GAGMYYVAZHNPQN-GOSISDBHSA-N 1 1 350.426 1.890 50 0 FDAAMO CS(=O)(=O)N1CCC[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC000089486465 525165745 /nfs/dbraw/zinc/16/57/45/525165745.db2.gz YMFPYSJAFCFNSU-QGZVFWFLSA-N 1 1 367.515 1.107 50 0 FDAAMO Cc1cc(NCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc(-c2ccccc2O)n1 ZINC000091643976 525270233 /nfs/dbraw/zinc/27/02/33/525270233.db2.gz OAGNUMYGJUTWFI-AWEZNQCLSA-N 1 1 355.442 1.767 50 0 FDAAMO Cc1cc(NCC[N@H+]2CCC[C@H](C(N)=O)C2)nc(-c2ccccc2O)n1 ZINC000091643976 525270238 /nfs/dbraw/zinc/27/02/38/525270238.db2.gz OAGNUMYGJUTWFI-AWEZNQCLSA-N 1 1 355.442 1.767 50 0 FDAAMO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000091603515 525719293 /nfs/dbraw/zinc/71/92/93/525719293.db2.gz CCAUTGSDWRBFKH-AWEZNQCLSA-N 1 1 371.441 1.012 50 0 FDAAMO CN(Cc1ccc(-n2cccn2)cc1)c1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC000108198386 525939263 /nfs/dbraw/zinc/93/92/63/525939263.db2.gz HOSKGEINQXJIDQ-QGZVFWFLSA-N 1 1 350.426 1.870 50 0 FDAAMO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)cc1N1CCNC1=O ZINC000091255517 526164285 /nfs/dbraw/zinc/16/42/85/526164285.db2.gz HCMOLJIBIYBPAR-INIZCTEOSA-N 1 1 360.458 1.101 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H](O)c2cccs2)CC1)Nc1nccs1 ZINC000085436941 526772825 /nfs/dbraw/zinc/77/28/25/526772825.db2.gz CRXZKGNNRCALJV-GFCCVEGCSA-N 1 1 352.485 1.494 50 0 FDAAMO NC(=O)COc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 ZINC000091305332 526894903 /nfs/dbraw/zinc/89/49/03/526894903.db2.gz SIJFDMAADIRBAT-SJLPKXTDSA-N 1 1 371.481 1.774 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc3c(c2)[nH]c2c3CCCC2)C1 ZINC000216356602 526964450 /nfs/dbraw/zinc/96/44/50/526964450.db2.gz CWHJYBYQJUGHGH-OAHLLOKOSA-N 1 1 368.481 1.974 50 0 FDAAMO C[C@H](C(=O)N[C@H](CO)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000183913431 536066546 /nfs/dbraw/zinc/06/65/46/536066546.db2.gz OUURDYTWDYABCA-IUODEOHRSA-N 1 1 370.291 1.235 50 0 FDAAMO CCc1nc2c(c(N3CC[NH+](C)CC3)n1)CCN(C(=O)C=C(C)C)CC2 ZINC000072408899 536154809 /nfs/dbraw/zinc/15/48/09/536154809.db2.gz YKBAHMFUIQEFIL-UHFFFAOYSA-N 1 1 357.502 1.684 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Cl)c1 ZINC000186458714 536234819 /nfs/dbraw/zinc/23/48/19/536234819.db2.gz CUBVSWJWVSENGU-UONOGXRCSA-N 1 1 369.893 1.988 50 0 FDAAMO C[N@H+]1CCC[C@@H]1CN1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 ZINC000252487815 536370484 /nfs/dbraw/zinc/37/04/84/536370484.db2.gz IBVWKEVIXIEKEU-QGZVFWFLSA-N 1 1 353.470 1.653 50 0 FDAAMO COc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 ZINC000071764254 536823863 /nfs/dbraw/zinc/82/38/63/536823863.db2.gz WRAANZFEZRNRDC-ZDUSSCGKSA-N 1 1 374.489 1.027 50 0 FDAAMO O=C(Cn1nnc2ccccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000263586342 537048195 /nfs/dbraw/zinc/04/81/95/537048195.db2.gz STZXPLHSUXRIGB-WMLDXEAASA-N 1 1 355.442 1.172 50 0 FDAAMO O=S(=O)(c1ccc(F)c(F)c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000247307131 537105686 /nfs/dbraw/zinc/10/56/86/537105686.db2.gz HGCNHRRVHGNMLU-CYBMUJFWSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1ccc(F)c(F)c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000247307131 537105689 /nfs/dbraw/zinc/10/56/89/537105689.db2.gz HGCNHRRVHGNMLU-CYBMUJFWSA-N 1 1 360.426 1.840 50 0 FDAAMO CC(C)c1ccccc1S(=O)(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000193312175 537244632 /nfs/dbraw/zinc/24/46/32/537244632.db2.gz HEODOJRTMBHAKS-OAHLLOKOSA-N 1 1 365.499 1.395 50 0 FDAAMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000193356231 537245988 /nfs/dbraw/zinc/24/59/88/537245988.db2.gz XZIQUYAXLANXGC-SSDOTTSWSA-N 1 1 355.204 1.710 50 0 FDAAMO CN1CC[N@@H+](C)[C@@H](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000252494499 537250326 /nfs/dbraw/zinc/25/03/26/537250326.db2.gz NXLSPKWWJCFGGZ-SFHVURJKSA-N 1 1 358.486 1.175 50 0 FDAAMO CN1CC[N@H+](C)C[C@@H]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000252494499 537250329 /nfs/dbraw/zinc/25/03/29/537250329.db2.gz NXLSPKWWJCFGGZ-SFHVURJKSA-N 1 1 358.486 1.175 50 0 FDAAMO CN1CC[N@@H+](C)C[C@@H]1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000252494499 537250331 /nfs/dbraw/zinc/25/03/31/537250331.db2.gz NXLSPKWWJCFGGZ-SFHVURJKSA-N 1 1 358.486 1.175 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000252502222 537250564 /nfs/dbraw/zinc/25/05/64/537250564.db2.gz UNSNUGWMTARNFE-MRXNPFEDSA-N 1 1 351.878 1.517 50 0 FDAAMO COc1cc(OC)c(C[N@@H+]2CCN3CCN(C)C(=O)[C@H]3C2)cc1Cl ZINC000215729818 537441252 /nfs/dbraw/zinc/44/12/52/537441252.db2.gz NVMSUSYUZITPQS-CQSZACIVSA-N 1 1 353.850 1.315 50 0 FDAAMO COc1cc(OC)c(C[N@H+]2CCN3CCN(C)C(=O)[C@H]3C2)cc1Cl ZINC000215729818 537441259 /nfs/dbraw/zinc/44/12/59/537441259.db2.gz NVMSUSYUZITPQS-CQSZACIVSA-N 1 1 353.850 1.315 50 0 FDAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000215821101 537441634 /nfs/dbraw/zinc/44/16/34/537441634.db2.gz BJLNQEXJHIWBBK-UHFFFAOYSA-N 1 1 364.405 1.434 50 0 FDAAMO Cc1nc(CN(C)Cc2ccccc2OCC[NH+]2CCN(C)CC2)no1 ZINC000215780311 537441886 /nfs/dbraw/zinc/44/18/86/537441886.db2.gz IGSTVHJQAWSZQV-UHFFFAOYSA-N 1 1 359.474 1.636 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)Cc1c(F)cccc1Cl)CC2 ZINC000216059669 537444218 /nfs/dbraw/zinc/44/42/18/537444218.db2.gz QWGCYBCACWGWGJ-UHFFFAOYSA-N 1 1 367.852 1.835 50 0 FDAAMO C[N@H+]1CCC[C@@H]1CCNS(=O)(=O)c1cccc(C(=O)N2CCC2)c1 ZINC000216017207 537444376 /nfs/dbraw/zinc/44/43/76/537444376.db2.gz IPDKVDFBRRQMLR-OAHLLOKOSA-N 1 1 351.472 1.295 50 0 FDAAMO O=C(C[C@@H]1COCC[NH2+]1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000216406048 537448999 /nfs/dbraw/zinc/44/89/99/537448999.db2.gz ODYXGYGUVQILRY-CQSZACIVSA-N 1 1 360.845 1.993 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1)N1CCOCC1 ZINC000216284857 537449671 /nfs/dbraw/zinc/44/96/71/537449671.db2.gz OYUPHGRGKZQCTD-SFHVURJKSA-N 1 1 358.417 1.835 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1)N1CCOCC1 ZINC000216284857 537449678 /nfs/dbraw/zinc/44/96/78/537449678.db2.gz OYUPHGRGKZQCTD-SFHVURJKSA-N 1 1 358.417 1.835 50 0 FDAAMO CC(C)(C)NC(=O)COc1ccc(C[N@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000216533249 537450462 /nfs/dbraw/zinc/45/04/62/537450462.db2.gz WYDAKTVTXFNCHH-FQEVSTJZSA-N 1 1 364.486 1.689 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1ccc(OC(F)F)cc1)CC2 ZINC000219774546 537479021 /nfs/dbraw/zinc/47/90/21/537479021.db2.gz JNVSZXAJHSLLFO-UHFFFAOYSA-N 1 1 367.396 1.715 50 0 FDAAMO CN1CC[NH+](Cc2ccc(C(=O)NCCSc3nc[nH]n3)cc2)CC1 ZINC000219910365 537480740 /nfs/dbraw/zinc/48/07/40/537480740.db2.gz GLZDXIPBNVGNRS-UHFFFAOYSA-N 1 1 360.487 1.074 50 0 FDAAMO CCN(CCn1cccn1)C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000222363403 537506132 /nfs/dbraw/zinc/50/61/32/537506132.db2.gz LRPFYPCMZATZFR-UHFFFAOYSA-N 1 1 355.486 1.793 50 0 FDAAMO Nc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)s1 ZINC000222440219 537507797 /nfs/dbraw/zinc/50/77/97/537507797.db2.gz BOLLRUQNBZEISK-GFCCVEGCSA-N 1 1 364.500 1.388 50 0 FDAAMO Nc1nnc(SCC(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000222440219 537507808 /nfs/dbraw/zinc/50/78/08/537507808.db2.gz BOLLRUQNBZEISK-GFCCVEGCSA-N 1 1 364.500 1.388 50 0 FDAAMO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)c1nc2ccc(F)cc2[nH]1 ZINC000222917950 537515157 /nfs/dbraw/zinc/51/51/57/537515157.db2.gz QWOYNMBNZWYZGD-CABCVRRESA-N 1 1 350.394 1.168 50 0 FDAAMO Cc1cccn2c(CNC(=O)[C@@H]3CCC[N@H+]3C3CCN(C)CC3)cnc12 ZINC000240662528 537645811 /nfs/dbraw/zinc/64/58/11/537645811.db2.gz PLWMVJFQYIUVLH-SFHVURJKSA-N 1 1 355.486 1.818 50 0 FDAAMO Cc1cccn2c(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCN(C)CC3)cnc12 ZINC000240662528 537645813 /nfs/dbraw/zinc/64/58/13/537645813.db2.gz PLWMVJFQYIUVLH-SFHVURJKSA-N 1 1 355.486 1.818 50 0 FDAAMO O=S(=O)(N1CCCCC1)N1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000244626753 537647835 /nfs/dbraw/zinc/64/78/35/537647835.db2.gz FSEJOEJXTPUSDO-GOSISDBHSA-N 1 1 367.515 1.458 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@@H+]1CCCN(C(=O)c3ccco3)CC1)O2 ZINC000244659733 537648730 /nfs/dbraw/zinc/64/87/30/537648730.db2.gz HHXJFLJFQXZEIW-HNNXBMFYSA-N 1 1 356.426 1.838 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@H+]1CCCN(C(=O)c3ccco3)CC1)O2 ZINC000244659733 537648734 /nfs/dbraw/zinc/64/87/34/537648734.db2.gz HHXJFLJFQXZEIW-HNNXBMFYSA-N 1 1 356.426 1.838 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(C(F)(F)F)nn3C)C2)[nH+]c(N)n1 ZINC000244872888 537654509 /nfs/dbraw/zinc/65/45/09/537654509.db2.gz WGHQEDOICWVBFT-OCAPTIKFSA-N 1 1 369.351 1.529 50 0 FDAAMO C[N@H+]1CC[C@@H]2OCCN(C(=O)COc3cccc(N4CCCC4=O)c3)[C@@H]2C1 ZINC000285702337 537748032 /nfs/dbraw/zinc/74/80/32/537748032.db2.gz IVUZTESKFFMYRK-MSOLQXFVSA-N 1 1 373.453 1.124 50 0 FDAAMO C[N@@H+]1CCN(C(=O)NCc2ccccc2OC(F)(F)F)C[C@H]1CCO ZINC000426739974 538126669 /nfs/dbraw/zinc/12/66/69/538126669.db2.gz XMJPZWUJLJCMTP-CYBMUJFWSA-N 1 1 361.364 1.793 50 0 FDAAMO C[N@H+]1CCN(C(=O)NCc2ccccc2OC(F)(F)F)C[C@H]1CCO ZINC000426739974 538126675 /nfs/dbraw/zinc/12/66/75/538126675.db2.gz XMJPZWUJLJCMTP-CYBMUJFWSA-N 1 1 361.364 1.793 50 0 FDAAMO O=C(NCc1ccc2[nH]cnc2c1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000584899778 551566978 /nfs/dbraw/zinc/56/69/78/551566978.db2.gz UDQKDXNNFTWSTL-INIZCTEOSA-N 1 1 357.458 1.694 50 0 FDAAMO O=C(NCc1ccc2nc[nH]c2c1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000584899778 551566980 /nfs/dbraw/zinc/56/69/80/551566980.db2.gz UDQKDXNNFTWSTL-INIZCTEOSA-N 1 1 357.458 1.694 50 0 FDAAMO O=C(NCc1ccc2nc[nH]c2c1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000584899778 551566984 /nfs/dbraw/zinc/56/69/84/551566984.db2.gz UDQKDXNNFTWSTL-INIZCTEOSA-N 1 1 357.458 1.694 50 0 FDAAMO CN(Cc1ncc[nH]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000633187564 558270726 /nfs/dbraw/zinc/27/07/26/558270726.db2.gz GFTKVKFXMREMNZ-KRWDZBQOSA-N 1 1 357.458 1.842 50 0 FDAAMO CS(=O)(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000426477591 570607341 /nfs/dbraw/zinc/60/73/41/570607341.db2.gz QANUJKFRKJDIBN-SFHVURJKSA-N 1 1 371.547 1.430 50 0 FDAAMO CC1CCN(c2ncc3c(n2)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)C3)CC1 ZINC000075877270 570619630 /nfs/dbraw/zinc/61/96/30/570619630.db2.gz VBNCAGGMYAJPJG-QGZVFWFLSA-N 1 1 371.529 1.982 50 0 FDAAMO Cc1[nH+]ccn1-c1cccc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)n1 ZINC000685940930 571101089 /nfs/dbraw/zinc/10/10/89/571101089.db2.gz KQXOZMJHTQAYKZ-RRFJBIMHSA-N 1 1 353.430 1.671 50 0 FDAAMO Nc1nc2[n-]ncc2c(N[C@H]2C[C@H](c3cc(N4CCCC4)nc[nH+]3)C2)[nH+]1 ZINC000244707967 571114634 /nfs/dbraw/zinc/11/46/34/571114634.db2.gz KKYKYPGOMYECTE-XYPYZODXSA-N 1 1 351.418 1.683 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)N1CC[C@](O)(c2ccccc2)C1 ZINC000426491023 571228057 /nfs/dbraw/zinc/22/80/57/571228057.db2.gz HMIQWIRFORJXTQ-OAQYLSRUSA-N 1 1 373.497 1.935 50 0 FDAAMO CNc1ccnc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@H](O)C3)cc2)n1 ZINC000426489989 571228077 /nfs/dbraw/zinc/22/80/77/571228077.db2.gz GHFDIQIFRHHLGZ-KRWDZBQOSA-N 1 1 369.469 1.184 50 0 FDAAMO COCCN(Cc1cnn(C)c1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000426491550 571228301 /nfs/dbraw/zinc/22/83/01/571228301.db2.gz PUAKGVFRLCOELR-MRXNPFEDSA-N 1 1 351.495 1.699 50 0 FDAAMO [NH3+]Cc1nnc(SC[C@H]2CCCS(=O)(=O)C2)n1Cc1ccccc1 ZINC000426514853 571229599 /nfs/dbraw/zinc/22/95/99/571229599.db2.gz PJGKPVDRQYFREJ-CQSZACIVSA-N 1 1 366.512 1.702 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC000426544438 571231065 /nfs/dbraw/zinc/23/10/65/571231065.db2.gz QIDAGKXCXWIFPC-MRXNPFEDSA-N 1 1 359.474 1.744 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000670457723 571355241 /nfs/dbraw/zinc/35/52/41/571355241.db2.gz OPYLUQXHRSMRHA-GFCCVEGCSA-N 1 1 362.455 1.581 50 0 FDAAMO O=C(Cn1cccc1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670461397 571356800 /nfs/dbraw/zinc/35/68/00/571356800.db2.gz KKMOKEVNXJPSDS-TWMPVWRBSA-N 1 1 350.466 1.172 50 0 FDAAMO C[N@@H+](CCO)CCOCCOc1ccccc1I ZINC000022079126 670686298 /nfs/dbraw/zinc/68/62/98/670686298.db2.gz DKYQBOKHNCSWNE-UHFFFAOYSA-N 1 1 365.211 1.611 50 0 FDAAMO CCc1ccc(C[NH+]2CCN(CC(=O)N3CCO[C@H](C)C3)CC2)s1 ZINC000172572634 672068804 /nfs/dbraw/zinc/06/88/04/672068804.db2.gz XWEILDHCIWNRHN-OAHLLOKOSA-N 1 1 351.516 1.675 50 0 FDAAMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)CCO1 ZINC000178638709 672145003 /nfs/dbraw/zinc/14/50/03/672145003.db2.gz SVXONALRYTUDEJ-NSHDSACASA-N 1 1 374.894 1.191 50 0 FDAAMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3cc(Cl)cnc3N)CC2)CCO1 ZINC000178638709 672145005 /nfs/dbraw/zinc/14/50/05/672145005.db2.gz SVXONALRYTUDEJ-NSHDSACASA-N 1 1 374.894 1.191 50 0 FDAAMO Cc1cccc(N2CCN(c3nc(N4CC[C@H](O)C4)cc[nH+]3)CC2)c1C ZINC000065460863 769978663 /nfs/dbraw/zinc/97/86/63/769978663.db2.gz VUNOYFWJQHTNOY-KRWDZBQOSA-N 1 1 353.470 1.991 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252478789 810449499 /nfs/dbraw/zinc/44/94/99/810449499.db2.gz AVDFCEJLQSXSGU-CQSZACIVSA-N 1 1 354.414 1.737 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252478789 810449505 /nfs/dbraw/zinc/44/95/05/810449505.db2.gz AVDFCEJLQSXSGU-CQSZACIVSA-N 1 1 354.414 1.737 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-c3c[nH]cn3)c2)C1 ZINC000426597233 810735497 /nfs/dbraw/zinc/73/54/97/810735497.db2.gz NVBIJXKRRJDMGK-AWEZNQCLSA-N 1 1 356.430 1.396 50 0 FDAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)Cn1c3ccccc3oc1=O)CC2 ZINC000169788746 864520062 /nfs/dbraw/zinc/52/00/62/864520062.db2.gz VQEZNXWLHQQHFE-HNNXBMFYSA-N 1 1 373.453 1.411 50 0 FDAAMO COc1cccc(C[N@@H+](C)[C@H]2CCc3nn(CC4CC4)c(=O)n3CC2)n1 ZINC000169783429 864527389 /nfs/dbraw/zinc/52/73/89/864527389.db2.gz RDDZJUGLONZZCH-INIZCTEOSA-N 1 1 357.458 1.695 50 0 FDAAMO Cc1ccc(NC(=O)C2CC[NH+](CC3(CS(C)(=O)=O)CC3)CC2)nc1 ZINC000677480562 874754436 /nfs/dbraw/zinc/75/44/36/874754436.db2.gz ZRMRUMCYKNBUQQ-UHFFFAOYSA-N 1 1 365.499 1.865 50 0 FDAAMO COc1ccc2c(CC(=O)N3CC[NH2+]C[C@H]3c3cnn(C)c3)coc2c1 ZINC000181405643 890598779 /nfs/dbraw/zinc/59/87/79/890598779.db2.gz DQKAVSQGZFNGNO-KRWDZBQOSA-N 1 1 354.410 1.891 50 0 FDAAMO CNC(=O)C[C@@H]1c2c(c(Br)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000823819875 922073982 /nfs/dbraw/zinc/07/39/82/922073982.db2.gz OBAKWOQEFKIBDM-SECBINFHSA-N 1 1 371.231 1.852 50 0 FDAAMO O=C(CCc1cn[nH]c1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000828005903 924808659 /nfs/dbraw/zinc/80/86/59/924808659.db2.gz SWLAQDQGHPBRTL-TWMPVWRBSA-N 1 1 365.481 1.026 50 0 FDAAMO O=C(N[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000219572019 943918395 /nfs/dbraw/zinc/91/83/95/943918395.db2.gz GDOSBYREMNGAQU-MSOLQXFVSA-N 1 1 359.445 1.888 50 0 FDAAMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000585138474 944425982 /nfs/dbraw/zinc/42/59/82/944425982.db2.gz UWXGCXIVCPSQCB-BBRMVZONSA-N 1 1 352.442 1.813 50 0 FDAAMO COC[C@@H]1CCCN(S(=O)(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000952969813 960262668 /nfs/dbraw/zinc/26/26/68/960262668.db2.gz AWWFUJJFRIPCHT-MRXNPFEDSA-N 1 1 359.536 1.540 50 0 FDAAMO CN(C)C(=O)CN1CCC[N@H+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000952972826 960266811 /nfs/dbraw/zinc/26/68/11/960266811.db2.gz RDBYNMBBRZOUQN-UHFFFAOYSA-N 1 1 351.520 1.339 50 0 FDAAMO CN(C)C(=O)CN1CCC[N@@H+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000952972826 960266819 /nfs/dbraw/zinc/26/68/19/960266819.db2.gz RDBYNMBBRZOUQN-UHFFFAOYSA-N 1 1 351.520 1.339 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000952976134 960272131 /nfs/dbraw/zinc/27/21/31/960272131.db2.gz HSNFLMLXHCLROQ-QGZVFWFLSA-N 1 1 372.469 1.045 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000952976134 960272138 /nfs/dbraw/zinc/27/21/38/960272138.db2.gz HSNFLMLXHCLROQ-QGZVFWFLSA-N 1 1 372.469 1.045 50 0 FDAAMO CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)c(C)c2)C1 ZINC000952990747 960317093 /nfs/dbraw/zinc/31/70/93/960317093.db2.gz XZASTUKHABDVKN-OAHLLOKOSA-N 1 1 360.458 1.692 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCc3nn(CC4CC4)c(=O)n3CC2)cc1OC ZINC000253415052 1008789500 /nfs/dbraw/zinc/78/95/00/1008789500.db2.gz ZLLZYFNLKWLMQY-UHFFFAOYSA-N 1 1 372.469 1.920 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCc3nn(CC4CC4)c(=O)n3CC2)cc1OC ZINC000253415052 1008789518 /nfs/dbraw/zinc/78/95/18/1008789518.db2.gz ZLLZYFNLKWLMQY-UHFFFAOYSA-N 1 1 372.469 1.920 50 0 FDAAMO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000190835278 178026790 /nfs/dbraw/zinc/02/67/90/178026790.db2.gz WURNPNODZDIYLL-INIZCTEOSA-N 1 1 366.487 1.435 50 0 FDAAMO Cc1nc(C[NH+]2CCC(CNC(=O)Cn3ccc(C)cc3=O)CC2)oc1C ZINC000194695516 178221486 /nfs/dbraw/zinc/22/14/86/178221486.db2.gz MKDHOBYEBVHZJL-UHFFFAOYSA-N 1 1 372.469 1.790 50 0 FDAAMO Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC[C@H]3CCCC[N@H+]3C)cc12 ZINC000173667760 222614920 /nfs/dbraw/zinc/61/49/20/222614920.db2.gz WTCQDMFOASXSAO-CQSZACIVSA-N 1 1 365.503 1.772 50 0 FDAAMO CN1CCN(C(=O)c2cccc(NC(=O)NCC[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000299757316 530063092 /nfs/dbraw/zinc/06/30/92/530063092.db2.gz LFWKCBSFTPWDBM-SFHVURJKSA-N 1 1 373.501 1.680 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000219317736 222698679 /nfs/dbraw/zinc/69/86/79/222698679.db2.gz CXOVBBQQCGRETG-AWEZNQCLSA-N 1 1 356.426 1.766 50 0 FDAAMO O=C([O-])CO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000220003977 222712997 /nfs/dbraw/zinc/71/29/97/222712997.db2.gz UYCLBRPLOWAGAL-RTBURBONSA-N 1 1 362.470 1.542 50 0 FDAAMO CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000225556884 222850552 /nfs/dbraw/zinc/85/05/52/222850552.db2.gz DUHMFLYNCNGATO-INIZCTEOSA-N 1 1 351.472 1.393 50 0 FDAAMO CC[C@@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1cccnc1 ZINC000534633548 540392464 /nfs/dbraw/zinc/39/24/64/540392464.db2.gz ZJIPSHIKKPZQGK-MRXNPFEDSA-N 1 1 359.474 1.529 50 0 FDAAMO Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000534655952 540395369 /nfs/dbraw/zinc/39/53/69/540395369.db2.gz COKRKAAZHXBLRM-KRWDZBQOSA-N 1 1 355.442 1.036 50 0 FDAAMO Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(=O)n1 ZINC000534655952 540395374 /nfs/dbraw/zinc/39/53/74/540395374.db2.gz COKRKAAZHXBLRM-KRWDZBQOSA-N 1 1 355.442 1.036 50 0 FDAAMO CCCCN1CCn2nc(CNC(=O)N3[C@@H]4CC[C@H]3C[N@H+](C)CC4)cc2C1 ZINC000534666180 540397377 /nfs/dbraw/zinc/39/73/77/540397377.db2.gz NWJXPJLNDABOPK-MSOLQXFVSA-N 1 1 374.533 1.877 50 0 FDAAMO CCCCN1CCn2nc(CNC(=O)N3[C@@H]4CC[C@H]3C[N@@H+](C)CC4)cc2C1 ZINC000534666180 540397379 /nfs/dbraw/zinc/39/73/79/540397379.db2.gz NWJXPJLNDABOPK-MSOLQXFVSA-N 1 1 374.533 1.877 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1[nH]nc2c1CCC2 ZINC000299756227 223081240 /nfs/dbraw/zinc/08/12/40/223081240.db2.gz DWLOQZULJMKIHQ-MRXNPFEDSA-N 1 1 354.454 1.806 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1[nH]nc2c1CCC2 ZINC000299756227 223081243 /nfs/dbraw/zinc/08/12/43/223081243.db2.gz DWLOQZULJMKIHQ-MRXNPFEDSA-N 1 1 354.454 1.806 50 0 FDAAMO CCn1nc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c2ccccc21 ZINC000299758443 223083561 /nfs/dbraw/zinc/08/35/61/223083561.db2.gz KXOQSADGBHTFBU-QGZVFWFLSA-N 1 1 357.458 1.271 50 0 FDAAMO CCn1nc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c2ccccc21 ZINC000299758443 223083564 /nfs/dbraw/zinc/08/35/64/223083564.db2.gz KXOQSADGBHTFBU-QGZVFWFLSA-N 1 1 357.458 1.271 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)NCc1cc2n(n1)CCN(C(=O)C(C)C)C2 ZINC000299791881 223098820 /nfs/dbraw/zinc/09/88/20/223098820.db2.gz DHDRMCLAJWIZKI-UHFFFAOYSA-N 1 1 358.446 1.093 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccccc1OC(F)(F)F ZINC000012612350 220013736 /nfs/dbraw/zinc/01/37/36/220013736.db2.gz UAJNOXHMGJRVOU-ZDUSSCGKSA-N 1 1 373.375 1.800 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccccc1OC(F)(F)F ZINC000012612350 220013739 /nfs/dbraw/zinc/01/37/39/220013739.db2.gz UAJNOXHMGJRVOU-ZDUSSCGKSA-N 1 1 373.375 1.800 50 0 FDAAMO CC(C)C[N@H+]1CCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]2C1 ZINC000014742136 220131216 /nfs/dbraw/zinc/13/12/16/220131216.db2.gz JEJLTFREEFYZHB-ZWKOTPCHSA-N 1 1 354.454 1.378 50 0 FDAAMO O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N@H+](CC3CCCCC3)C[C@H]12 ZINC000014751304 220131722 /nfs/dbraw/zinc/13/17/22/220131722.db2.gz UVVVBHCRNNYFTG-RBUKOAKNSA-N 1 1 371.481 1.526 50 0 FDAAMO CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3cccc4ncccc34)CCN2C1=O ZINC000014752400 220131792 /nfs/dbraw/zinc/13/17/92/220131792.db2.gz BLFDCPAGMPGGER-KYNGSXCRSA-N 1 1 366.465 1.792 50 0 FDAAMO CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3cccc4ncccc34)CCN2C1=O ZINC000014752400 220131797 /nfs/dbraw/zinc/13/17/97/220131797.db2.gz BLFDCPAGMPGGER-KYNGSXCRSA-N 1 1 366.465 1.792 50 0 FDAAMO O=C(NCCCO)c1cn([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)nn1 ZINC000014989761 220139804 /nfs/dbraw/zinc/13/98/04/220139804.db2.gz BNGIJQKJUAWCPO-SFHVURJKSA-N 1 1 371.485 1.660 50 0 FDAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccon1 ZINC000017178455 220209943 /nfs/dbraw/zinc/20/99/43/220209943.db2.gz ICAGUOOLUJXQHN-MRXNPFEDSA-N 1 1 372.425 1.583 50 0 FDAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccon1 ZINC000017178455 220209949 /nfs/dbraw/zinc/20/99/49/220209949.db2.gz ICAGUOOLUJXQHN-MRXNPFEDSA-N 1 1 372.425 1.583 50 0 FDAAMO COCCN(C)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019228424 220240595 /nfs/dbraw/zinc/24/05/95/220240595.db2.gz DVGNSOUJOLHKRC-UHFFFAOYSA-N 1 1 372.469 1.711 50 0 FDAAMO COc1ccc2[nH]c3c(ncn(CCC[NH+]4CCN(C)CC4)c3=O)c2c1 ZINC000019372119 220252460 /nfs/dbraw/zinc/25/24/60/220252460.db2.gz UAVLBFXVWZTGKT-UHFFFAOYSA-N 1 1 355.442 1.524 50 0 FDAAMO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](C)CC1)CCCC2 ZINC000019368042 220253442 /nfs/dbraw/zinc/25/34/42/220253442.db2.gz XWKCXVJIYZZKKA-UHFFFAOYSA-N 1 1 365.499 1.990 50 0 FDAAMO CCOc1ccc(N([C@@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000019533425 220268564 /nfs/dbraw/zinc/26/85/64/220268564.db2.gz RZXLJQQOZLAWAX-AWEZNQCLSA-N 1 1 369.487 1.014 50 0 FDAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CCO)CC4)[C@H]3C=C12 ZINC000020112097 220313417 /nfs/dbraw/zinc/31/34/17/220313417.db2.gz FKCWOQLNDLTAMC-JFQNMGATSA-N 1 1 362.514 1.911 50 0 biogenic FDAAMO COC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020051455 220310333 /nfs/dbraw/zinc/31/03/33/220310333.db2.gz VCRMVQDTPGLOTR-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000020478871 220327565 /nfs/dbraw/zinc/32/75/65/220327565.db2.gz MPJHLKDFKXDZBY-YJBOKZPZSA-N 1 1 361.467 1.095 50 0 FDAAMO CC(C)(C)CN1CCC[C@@](O)(C[NH+]2CCN(C3CCCC3)CC2)C1=O ZINC000020997341 220347928 /nfs/dbraw/zinc/34/79/28/220347928.db2.gz MUIHVKGRQZUNIL-HXUWFJFHSA-N 1 1 351.535 1.946 50 0 FDAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055270196 221064691 /nfs/dbraw/zinc/06/46/91/221064691.db2.gz XYXKGCXOCDHEQJ-INIZCTEOSA-N 1 1 370.453 1.907 50 0 FDAAMO NC(=O)C[N@@H+]1CCCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000054389026 221053395 /nfs/dbraw/zinc/05/33/95/221053395.db2.gz HEUBTGRREXHILY-UHFFFAOYSA-N 1 1 362.437 1.689 50 0 FDAAMO NC(=O)C[N@H+]1CCCN(c2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000054389026 221053397 /nfs/dbraw/zinc/05/33/97/221053397.db2.gz HEUBTGRREXHILY-UHFFFAOYSA-N 1 1 362.437 1.689 50 0 FDAAMO Cn1c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(=O)n(C)c1=O ZINC000057378637 221087427 /nfs/dbraw/zinc/08/74/27/221087427.db2.gz WAWXZHWTJLQESP-INIZCTEOSA-N 1 1 371.437 1.582 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000058192736 221104762 /nfs/dbraw/zinc/10/47/62/221104762.db2.gz RSAHQCVBANQQRC-KGLIPLIRSA-N 1 1 352.479 1.382 50 0 FDAAMO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)NCCc1ccccc1 ZINC000058195624 221105016 /nfs/dbraw/zinc/10/50/16/221105016.db2.gz UHKMWQOUSTZDSW-HXUWFJFHSA-N 1 1 365.477 1.908 50 0 FDAAMO CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)NCCc1ccccc1 ZINC000058195624 221105018 /nfs/dbraw/zinc/10/50/18/221105018.db2.gz UHKMWQOUSTZDSW-HXUWFJFHSA-N 1 1 365.477 1.908 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(C(=O)NCCc3cnn(C)c3)CC2)cc1 ZINC000058210420 221107133 /nfs/dbraw/zinc/10/71/33/221107133.db2.gz BNRCZYFWWOXZLO-UHFFFAOYSA-N 1 1 371.485 1.541 50 0 FDAAMO Cc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](C)CC2)cc1 ZINC000064836213 221152039 /nfs/dbraw/zinc/15/20/39/221152039.db2.gz HJLZPAZJTUWGOA-UHFFFAOYSA-N 1 1 365.437 1.259 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000065289593 221196397 /nfs/dbraw/zinc/19/63/97/221196397.db2.gz RXYXDZIZCAWVBF-WBVHZDCISA-N 1 1 373.501 1.019 50 0 FDAAMO O=C(NC12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)c1cc2n(n1)CC[NH2+]C2 ZINC000065370280 221204558 /nfs/dbraw/zinc/20/45/58/221204558.db2.gz SCUCQTQACFXTNW-BAUKFBFWSA-N 1 1 367.457 1.056 50 0 FDAAMO O=C(N[C@@H](CCn1ccnc1)c1ccccc1)c1cc2n(n1)CC[NH2+]C2 ZINC000065380228 221206177 /nfs/dbraw/zinc/20/61/77/221206177.db2.gz CZYWTHQGWLJOEU-KRWDZBQOSA-N 1 1 350.426 1.744 50 0 FDAAMO COc1ccc(OC)c2c(C)cc(NC3CC[NH+](CC(N)=O)CC3)nc12 ZINC000065398517 221212242 /nfs/dbraw/zinc/21/22/42/221212242.db2.gz HGVWCSDWVRFOSF-UHFFFAOYSA-N 1 1 358.442 1.922 50 0 FDAAMO CCn1c(=O)[nH]nc1C1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000065528701 221230900 /nfs/dbraw/zinc/23/09/00/221230900.db2.gz ZAOPFUZAHYMWTL-UHFFFAOYSA-N 1 1 369.469 1.356 50 0 FDAAMO CCn1c(=O)[nH]nc1C1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000065528701 221230902 /nfs/dbraw/zinc/23/09/02/221230902.db2.gz ZAOPFUZAHYMWTL-UHFFFAOYSA-N 1 1 369.469 1.356 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)N(C)C[C@H]3CCCCO3)no2)CC1 ZINC000067713042 221275138 /nfs/dbraw/zinc/27/51/38/221275138.db2.gz UGLCNJWIZPMERV-OAHLLOKOSA-N 1 1 350.463 1.453 50 0 FDAAMO CN(c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1)S(C)(=O)=O ZINC000067895158 221303270 /nfs/dbraw/zinc/30/32/70/221303270.db2.gz XSGBZPHTDCTLCB-GOEBONIOSA-N 1 1 351.472 1.391 50 0 FDAAMO C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(F)cc1 ZINC000069415923 221325387 /nfs/dbraw/zinc/32/53/87/221325387.db2.gz ZYMMAPDCLMIDNN-UHOFOFEASA-N 1 1 354.447 1.731 50 0 FDAAMO Cc1ccc(C)n1CC[NH+]1CCN(Cc2oc(CO)cc(=O)c2O)CC1 ZINC000071282510 221338448 /nfs/dbraw/zinc/33/84/48/221338448.db2.gz OJITZZCUZMIWGD-UHFFFAOYSA-N 1 1 361.442 1.074 50 0 FDAAMO CCc1nccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071738525 221356998 /nfs/dbraw/zinc/35/69/98/221356998.db2.gz AWWZBWBWSUAMHK-MRXNPFEDSA-N 1 1 371.529 1.994 50 0 FDAAMO CC[C@H]1C[N@@H+](Cc2c(C)[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccccc1 ZINC000071749015 221361089 /nfs/dbraw/zinc/36/10/89/221361089.db2.gz QBUFJPVCLDBRSY-INIZCTEOSA-N 1 1 370.453 1.385 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)no1 ZINC000071750753 221361682 /nfs/dbraw/zinc/36/16/82/221361682.db2.gz GOTVADRZFTWBAN-CQSZACIVSA-N 1 1 360.458 1.578 50 0 FDAAMO Cc1cccn2c(C[N@@H+]3CCCOCC3)c(C(=O)N3CCOCC3)nc12 ZINC000071750801 221362550 /nfs/dbraw/zinc/36/25/50/221362550.db2.gz WKLNTDKZCYQQNK-UHFFFAOYSA-N 1 1 358.442 1.337 50 0 FDAAMO Cc1cccn2c(C[N@H+]3CCCOCC3)c(C(=O)N3CCOCC3)nc12 ZINC000071750801 221362551 /nfs/dbraw/zinc/36/25/51/221362551.db2.gz WKLNTDKZCYQQNK-UHFFFAOYSA-N 1 1 358.442 1.337 50 0 FDAAMO CC(C)(C[NH+]1CCOCC1)c1nccn1Cc1nc2ccccc2c(=O)[nH]1 ZINC000071711916 221355518 /nfs/dbraw/zinc/35/55/18/221355518.db2.gz GVTASKHCKHMHIX-UHFFFAOYSA-N 1 1 367.453 1.778 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3O)CC2)C1 ZINC000071762741 221369409 /nfs/dbraw/zinc/36/94/09/221369409.db2.gz BAZHWTPELIQKCE-OAHLLOKOSA-N 1 1 371.481 1.987 50 0 FDAAMO COc1cccc(CCNC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000299780420 533458844 /nfs/dbraw/zinc/45/88/44/533458844.db2.gz UWJYGURNPQZIKX-GASCZTMLSA-N 1 1 350.459 1.862 50 0 FDAAMO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](Nc2cc[nH+]c(N)n2)C1 ZINC000091907426 132204708 /nfs/dbraw/zinc/20/47/08/132204708.db2.gz BIPBJLMVESWIAK-AWEZNQCLSA-N 1 1 369.473 1.936 50 0 FDAAMO Cc1ccccc1CSc1nc(N2CCO[C@H](C(N)=O)C2)cc(N)[nH+]1 ZINC000095371288 132208733 /nfs/dbraw/zinc/20/87/33/132208733.db2.gz AXKABEZBUVPKKU-ZDUSSCGKSA-N 1 1 359.455 1.350 50 0 FDAAMO Cc1ccccc1CSc1nc(N)cc(N2CCO[C@H](C(N)=O)C2)[nH+]1 ZINC000095371288 132208734 /nfs/dbraw/zinc/20/87/34/132208734.db2.gz AXKABEZBUVPKKU-ZDUSSCGKSA-N 1 1 359.455 1.350 50 0 FDAAMO Cc1nn(C)c2nc(NCC[NH+]3CCN(c4ncccn4)CC3)sc12 ZINC000096133704 132219873 /nfs/dbraw/zinc/21/98/73/132219873.db2.gz CYDVFBMZLKBDQY-UHFFFAOYSA-N 1 1 358.475 1.362 50 0 FDAAMO Cc1cc(C)n([C@H](C)CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)n1 ZINC000097732398 132230834 /nfs/dbraw/zinc/23/08/34/132230834.db2.gz PUGZLGIEBAVNIM-OAHLLOKOSA-N 1 1 371.489 1.341 50 0 FDAAMO O=C(c1cnc(N2CCOCC2)nc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097819483 132231199 /nfs/dbraw/zinc/23/11/99/132231199.db2.gz MTDUNVQQQSVQRG-QGZVFWFLSA-N 1 1 353.426 1.100 50 0 FDAAMO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)N1CCN(c2cnccn2)CC1 ZINC000053232117 136124807 /nfs/dbraw/zinc/12/48/07/136124807.db2.gz VTJCFRWCFCISJU-UHFFFAOYSA-N 1 1 369.444 1.929 50 0 FDAAMO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)N1CCN(c2cnccn2)CC1 ZINC000053232117 136124808 /nfs/dbraw/zinc/12/48/08/136124808.db2.gz VTJCFRWCFCISJU-UHFFFAOYSA-N 1 1 369.444 1.929 50 0 FDAAMO COc1cc2c(cc1CN1CCN(c3cc[nH+]c(N)n3)CC1)OCCCO2 ZINC000065425703 136136315 /nfs/dbraw/zinc/13/63/15/136136315.db2.gz PWEDHEONZGBTCO-UHFFFAOYSA-N 1 1 371.441 1.551 50 0 FDAAMO Nc1nccc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071757111 136140513 /nfs/dbraw/zinc/14/05/13/136140513.db2.gz MQVACCDWJSEZGZ-HNNXBMFYSA-N 1 1 358.490 1.362 50 0 FDAAMO CNc1nc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)[nH+]c2c1CCC2 ZINC000072434462 136147134 /nfs/dbraw/zinc/14/71/34/136147134.db2.gz BPUNUEXSCRPNSQ-ZDUSSCGKSA-N 1 1 370.505 1.581 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)Nc1ccc(N2CCCC2=O)cc1 ZINC000096148589 222050749 /nfs/dbraw/zinc/05/07/49/222050749.db2.gz XFJKMSCZDNKMGE-QGZVFWFLSA-N 1 1 360.458 1.782 50 0 FDAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](CCO)C[C@@]3(C(=O)[O-])C2)cc1 ZINC000096153160 222055515 /nfs/dbraw/zinc/05/55/15/222055515.db2.gz BNOYUDKCHFJCEM-YLJYHZDGSA-N 1 1 370.453 1.196 50 0 FDAAMO Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](CCO)C[C@@]3(C(=O)[O-])C2)cc1 ZINC000096153160 222055518 /nfs/dbraw/zinc/05/55/18/222055518.db2.gz BNOYUDKCHFJCEM-YLJYHZDGSA-N 1 1 370.453 1.196 50 0 FDAAMO Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](CCO)C[C@@]3(C(=O)[O-])C2)cc1 ZINC000096153160 222055521 /nfs/dbraw/zinc/05/55/21/222055521.db2.gz BNOYUDKCHFJCEM-YLJYHZDGSA-N 1 1 370.453 1.196 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2C)C[N@H+]1C1CCOCC1 ZINC000096165537 222065029 /nfs/dbraw/zinc/06/50/29/222065029.db2.gz BRKHMAGKQUCNJF-HKUYNNGSSA-N 1 1 373.497 1.412 50 0 FDAAMO O=C(CCOC[C@H]1CCCO1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000097326974 222174071 /nfs/dbraw/zinc/17/40/71/222174071.db2.gz LEDDRLQUUYSXMF-LJQANCHMSA-N 1 1 362.470 1.721 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](C[C@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000097602143 222196739 /nfs/dbraw/zinc/19/67/39/222196739.db2.gz MMAMSZICEADHOY-GFCCVEGCSA-N 1 1 356.426 1.735 50 0 FDAAMO O=C(NCCOc1ccccc1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097743610 222210085 /nfs/dbraw/zinc/21/00/85/222210085.db2.gz WXCHUDVEHPZEFF-MRXNPFEDSA-N 1 1 366.483 1.081 50 0 FDAAMO COc1ccccc1[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H]2[C@@H]1N1CCC2CC1 ZINC000101818307 222285642 /nfs/dbraw/zinc/28/56/42/222285642.db2.gz AHLNCWZIFNVJLB-QJAIXKHESA-N 1 1 367.493 1.549 50 0 FDAAMO CCOCc1nc2c(c(N3CC=CC3)n1)CC[N@H+](Cc1ncc[nH]1)CC2 ZINC000102513011 222297602 /nfs/dbraw/zinc/29/76/02/222297602.db2.gz FUHZWQBBKHZGKA-UHFFFAOYSA-N 1 1 354.458 1.713 50 0 FDAAMO CCOCc1nc2c(c(N3CC=CC3)n1)CC[N@@H+](Cc1ncc[nH]1)CC2 ZINC000102513011 222297605 /nfs/dbraw/zinc/29/76/05/222297605.db2.gz FUHZWQBBKHZGKA-UHFFFAOYSA-N 1 1 354.458 1.713 50 0 FDAAMO CN1CC[N@@H+](CCCn2ccnc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107401472 222394115 /nfs/dbraw/zinc/39/41/15/222394115.db2.gz GZJDPMLLHIICDG-HXUWFJFHSA-N 1 1 359.518 1.682 50 0 FDAAMO C[N@@H+]1CCN(CCCn2ccnc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107401472 222394117 /nfs/dbraw/zinc/39/41/17/222394117.db2.gz GZJDPMLLHIICDG-HXUWFJFHSA-N 1 1 359.518 1.682 50 0 FDAAMO C[N@H+]1CCN(CCCn2ccnc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107401472 222394122 /nfs/dbraw/zinc/39/41/22/222394122.db2.gz GZJDPMLLHIICDG-HXUWFJFHSA-N 1 1 359.518 1.682 50 0 FDAAMO Cc1ccc(-c2noc(CN3CC[N@H+](C)[C@@]4(C3)CCNC(=O)CC4)n2)cc1 ZINC000107400492 222394561 /nfs/dbraw/zinc/39/45/61/222394561.db2.gz DMXHEMFVZQTSEJ-HXUWFJFHSA-N 1 1 369.469 1.831 50 0 FDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000004615474 263335239 /nfs/dbraw/zinc/33/52/39/263335239.db2.gz IUOMBVUSPSCTKH-CYBMUJFWSA-N 1 1 369.343 1.535 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](CC1CCCCC1)CC2)[C@@H]1CCOC1 ZINC000011971774 263368980 /nfs/dbraw/zinc/36/89/80/263368980.db2.gz NEZVPGAAGNMRTK-MRXNPFEDSA-N 1 1 361.490 1.369 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000002953464 518256543 /nfs/dbraw/zinc/25/65/43/518256543.db2.gz HJAYMHYJHPMAJK-GASCZTMLSA-N 1 1 359.536 1.427 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000004712201 518309449 /nfs/dbraw/zinc/30/94/49/518309449.db2.gz AIFQLANRLDQALE-DLBZAZTESA-N 1 1 373.563 1.819 50 0 FDAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000006881941 518389968 /nfs/dbraw/zinc/38/99/68/518389968.db2.gz NAUKOOTZHHLVHT-CYBMUJFWSA-N 1 1 353.488 1.916 50 0 FDAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000006881941 518389972 /nfs/dbraw/zinc/38/99/72/518389972.db2.gz NAUKOOTZHHLVHT-CYBMUJFWSA-N 1 1 353.488 1.916 50 0 FDAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)N3CCCC3)s2)CC1 ZINC000007006095 518398355 /nfs/dbraw/zinc/39/83/55/518398355.db2.gz LXWISPUJJDYBHL-UHFFFAOYSA-N 1 1 360.487 1.707 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009060078 518494621 /nfs/dbraw/zinc/49/46/21/518494621.db2.gz GSHGTAXGZYYHEC-ZIAGYGMSSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060078 518494626 /nfs/dbraw/zinc/49/46/26/518494626.db2.gz GSHGTAXGZYYHEC-ZIAGYGMSSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060078 518494637 /nfs/dbraw/zinc/49/46/37/518494637.db2.gz GSHGTAXGZYYHEC-ZIAGYGMSSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009060079 518495826 /nfs/dbraw/zinc/49/58/26/518495826.db2.gz GSHGTAXGZYYHEC-KGLIPLIRSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060079 518495833 /nfs/dbraw/zinc/49/58/33/518495833.db2.gz GSHGTAXGZYYHEC-KGLIPLIRSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060079 518495838 /nfs/dbraw/zinc/49/58/38/518495838.db2.gz GSHGTAXGZYYHEC-KGLIPLIRSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060450 518495954 /nfs/dbraw/zinc/49/59/54/518495954.db2.gz JMPYHYXFPIZYBG-UHFFFAOYSA-N 1 1 359.478 1.417 50 0 FDAAMO C[NH+](C)CCCNC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000009421433 518507019 /nfs/dbraw/zinc/50/70/19/518507019.db2.gz VHCNWBXBSGSIPH-NSHDSACASA-N 1 1 365.869 1.291 50 0 FDAAMO O=C(CCn1cnnn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011839358 518573845 /nfs/dbraw/zinc/57/38/45/518573845.db2.gz GCDSTFXATZGJQY-IBGZPJMESA-N 1 1 372.448 1.717 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@@H+](C1CCOCC1)CC2)c1cccc(F)c1 ZINC000012080035 518584999 /nfs/dbraw/zinc/58/49/99/518584999.db2.gz QBDVHYLIIRVTPG-UHFFFAOYSA-N 1 1 373.432 1.384 50 0 FDAAMO Cc1c(-c2ccccc2)sc2ncnc(N3CC[NH2+][C@H](C(N)=O)C3)c12 ZINC000014158515 518678402 /nfs/dbraw/zinc/67/84/02/518678402.db2.gz OCTIZJYAOPEDNF-ZDUSSCGKSA-N 1 1 353.451 1.930 50 0 FDAAMO CC(C)(C)N1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC1=O ZINC000091650152 518719026 /nfs/dbraw/zinc/71/90/26/518719026.db2.gz APSJMZJGFOYERZ-MRXNPFEDSA-N 1 1 358.486 1.763 50 0 FDAAMO CC(C)(C)N1C[C@H](C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC1=O ZINC000091650152 518719032 /nfs/dbraw/zinc/71/90/32/518719032.db2.gz APSJMZJGFOYERZ-MRXNPFEDSA-N 1 1 358.486 1.763 50 0 FDAAMO CCCn1nc(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)ccc1=O ZINC000022898461 518919966 /nfs/dbraw/zinc/91/99/66/518919966.db2.gz WBKMBTMXZWVXKS-KRWDZBQOSA-N 1 1 364.490 1.520 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@H](C)O1 ZINC000025099949 519037508 /nfs/dbraw/zinc/03/75/08/519037508.db2.gz DRSFGUKYQBMZOO-JKIFEVAISA-N 1 1 366.483 1.213 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C[C@H](C)O1 ZINC000025099949 519037515 /nfs/dbraw/zinc/03/75/15/519037515.db2.gz DRSFGUKYQBMZOO-JKIFEVAISA-N 1 1 366.483 1.213 50 0 FDAAMO C[C@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000026934295 519149427 /nfs/dbraw/zinc/14/94/27/519149427.db2.gz SMHGYBJNXBTNCM-AWEZNQCLSA-N 1 1 362.426 1.474 50 0 FDAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH+]1CCC(O)CC1 ZINC000029695980 519312880 /nfs/dbraw/zinc/31/28/80/519312880.db2.gz UGZQVMOLDRNJSN-UHFFFAOYSA-N 1 1 356.470 1.621 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000032809318 519541889 /nfs/dbraw/zinc/54/18/89/519541889.db2.gz YRTKZGNDZZOFLA-UHFFFAOYSA-N 1 1 360.241 1.438 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000034667322 519594169 /nfs/dbraw/zinc/59/41/69/519594169.db2.gz XUKBVRNKIUUYAQ-MSOLQXFVSA-N 1 1 350.459 1.247 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000034667322 519594181 /nfs/dbraw/zinc/59/41/81/519594181.db2.gz XUKBVRNKIUUYAQ-MSOLQXFVSA-N 1 1 350.459 1.247 50 0 FDAAMO O=C(CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)Nc1ccc2c(c1)OCO2 ZINC000035485447 519607859 /nfs/dbraw/zinc/60/78/59/519607859.db2.gz FXACNNANWSOHMR-HNNXBMFYSA-N 1 1 353.378 1.185 50 0 FDAAMO CCC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(OC)c(OC)c1 ZINC000036095571 519615393 /nfs/dbraw/zinc/61/53/93/519615393.db2.gz XLEMNOPYVOKGOU-GOSISDBHSA-N 1 1 366.502 1.999 50 0 FDAAMO CN1CCC[N@@H+](C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000039413130 519636556 /nfs/dbraw/zinc/63/65/56/519636556.db2.gz IRHYVMKGKPDCFN-LJQANCHMSA-N 1 1 367.440 1.456 50 0 FDAAMO C[N@@H+]1CCCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000039413130 519636558 /nfs/dbraw/zinc/63/65/58/519636558.db2.gz IRHYVMKGKPDCFN-LJQANCHMSA-N 1 1 367.440 1.456 50 0 FDAAMO C[N@H+]1CCCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000039413130 519636562 /nfs/dbraw/zinc/63/65/62/519636562.db2.gz IRHYVMKGKPDCFN-LJQANCHMSA-N 1 1 367.440 1.456 50 0 FDAAMO COc1cccc(CNC(=O)C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000040120142 519640659 /nfs/dbraw/zinc/64/06/59/519640659.db2.gz NQDKZDLNBGJWQQ-KDURUIRLSA-N 1 1 362.470 1.971 50 0 FDAAMO COc1cccc(CNC(=O)C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000040120142 519640662 /nfs/dbraw/zinc/64/06/62/519640662.db2.gz NQDKZDLNBGJWQQ-KDURUIRLSA-N 1 1 362.470 1.971 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(C(C)C)C1=O ZINC000040286501 519642231 /nfs/dbraw/zinc/64/22/31/519642231.db2.gz LLDXMDVEDYEZEE-RHSMWYFYSA-N 1 1 372.469 1.199 50 0 FDAAMO CCOc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091492940 520936368 /nfs/dbraw/zinc/93/63/68/520936368.db2.gz XMTDUJGUQVKMDQ-QZTJIDSGSA-N 1 1 362.470 1.027 50 0 FDAAMO CC1CCN(C(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)CC1 ZINC000020923570 520976450 /nfs/dbraw/zinc/97/64/50/520976450.db2.gz VQEAHQLCHFLABC-UHFFFAOYSA-N 1 1 371.489 1.067 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000020450521 521662402 /nfs/dbraw/zinc/66/24/02/521662402.db2.gz JWVPRMXNOGJGFR-UHFFFAOYSA-N 1 1 372.513 1.807 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)Cc2cccnc2)C[N@H+]1CC1CCCCC1 ZINC000091537022 521744794 /nfs/dbraw/zinc/74/47/94/521744794.db2.gz BJZQBMNBSVGKSO-MOPGFXCFSA-N 1 1 372.513 1.900 50 0 FDAAMO CN(C)Cc1nc(C(=O)N2CCC[N@H+](Cc3ccncc3)CC2)cs1 ZINC000082099029 521938149 /nfs/dbraw/zinc/93/81/49/521938149.db2.gz GYCRXBRJCOHICI-UHFFFAOYSA-N 1 1 359.499 1.948 50 0 FDAAMO CN(C)Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)cs1 ZINC000082099029 521938155 /nfs/dbraw/zinc/93/81/55/521938155.db2.gz GYCRXBRJCOHICI-UHFFFAOYSA-N 1 1 359.499 1.948 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc3c(O)cccc23)CC1 ZINC000044901096 522015581 /nfs/dbraw/zinc/01/55/81/522015581.db2.gz QLWKIVNOQMWTAT-UHFFFAOYSA-N 1 1 370.453 1.238 50 0 FDAAMO COCCc1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)n1 ZINC000091706844 522044493 /nfs/dbraw/zinc/04/44/93/522044493.db2.gz XPDZMXWYFOFWHD-GOEBONIOSA-N 1 1 350.463 1.334 50 0 FDAAMO NC(=O)CCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072128096 522160184 /nfs/dbraw/zinc/16/01/84/522160184.db2.gz HKPAWFPXOSEPJG-MJXNMMHHSA-N 1 1 363.408 1.619 50 0 FDAAMO O=C(C1CC1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072135530 522163604 /nfs/dbraw/zinc/16/36/04/522163604.db2.gz HGKMAYOFMKVQFI-SFHVURJKSA-N 1 1 371.481 1.934 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)N2CCc3c(nc(-c4ccccc4)[nH]c3=O)C2)C1 ZINC000072134489 522164550 /nfs/dbraw/zinc/16/45/50/522164550.db2.gz MBWXLMGEALDSOC-HNNXBMFYSA-N 1 1 352.438 1.663 50 0 FDAAMO CC(C)Cn1cncc1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000072158724 522185580 /nfs/dbraw/zinc/18/55/80/522185580.db2.gz TZHNQMRVIRZNJN-QGZVFWFLSA-N 1 1 361.490 1.288 50 0 FDAAMO O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072409139 522239242 /nfs/dbraw/zinc/23/92/42/522239242.db2.gz MKROTGALJRJIPK-KRWDZBQOSA-N 1 1 358.417 1.600 50 0 FDAAMO CCSCC[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072409573 522240213 /nfs/dbraw/zinc/24/02/13/522240213.db2.gz DIUAAAZVDKLSLJ-OAHLLOKOSA-N 1 1 353.536 1.580 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cnc3sccn3c2=O)ccn1 ZINC000058391721 522252819 /nfs/dbraw/zinc/25/28/19/522252819.db2.gz CAUZSLUGXQIBII-UHFFFAOYSA-N 1 1 366.406 1.575 50 0 FDAAMO Cc1nc2ncccn2c1C(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072422612 522253224 /nfs/dbraw/zinc/25/32/24/522253224.db2.gz KBEPWFRXOCUNJU-OKILXGFUSA-N 1 1 357.458 1.752 50 0 FDAAMO CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@H](C)O)CC2)OC1=O ZINC000072430342 522266852 /nfs/dbraw/zinc/26/68/52/522266852.db2.gz NGVPDXNVXLYCGT-HNNXBMFYSA-N 1 1 355.479 1.159 50 0 FDAAMO Cn1ccnc1C[N@@H+]1CCc2ncnc(NC[C@@H]3CCCOC3)c2CC1 ZINC000072440188 522279895 /nfs/dbraw/zinc/27/98/95/522279895.db2.gz DSVRWLNUVZEJJB-HNNXBMFYSA-N 1 1 356.474 1.649 50 0 FDAAMO Cn1ccnc1C[N@H+]1CCc2ncnc(NC[C@@H]3CCCOC3)c2CC1 ZINC000072440188 522279902 /nfs/dbraw/zinc/27/99/02/522279902.db2.gz DSVRWLNUVZEJJB-HNNXBMFYSA-N 1 1 356.474 1.649 50 0 FDAAMO O=C(c1cnccn1)N1CC[N@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072475544 522297478 /nfs/dbraw/zinc/29/74/78/522297478.db2.gz RIAFSOILAQEMMV-SFHVURJKSA-N 1 1 354.454 1.618 50 0 FDAAMO O=C(c1cnccn1)N1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072475544 522297484 /nfs/dbraw/zinc/29/74/84/522297484.db2.gz RIAFSOILAQEMMV-SFHVURJKSA-N 1 1 354.454 1.618 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1cccc(F)c1C)C2 ZINC000082097632 522766454 /nfs/dbraw/zinc/76/64/54/522766454.db2.gz LKWHKWWOZGTBNP-UHFFFAOYSA-N 1 1 360.433 1.999 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1cccc(F)c1C)C2 ZINC000082097632 522766459 /nfs/dbraw/zinc/76/64/59/522766459.db2.gz LKWHKWWOZGTBNP-UHFFFAOYSA-N 1 1 360.433 1.999 50 0 FDAAMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000075105056 522879088 /nfs/dbraw/zinc/87/90/88/522879088.db2.gz GFKMZQZVZUXDHF-CQSZACIVSA-N 1 1 359.879 1.682 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000075110536 522880658 /nfs/dbraw/zinc/88/06/58/522880658.db2.gz GNROARBKBHXWQA-QWHCGFSZSA-N 1 1 354.472 1.916 50 0 FDAAMO O=C(c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000299781723 534693509 /nfs/dbraw/zinc/69/35/09/534693509.db2.gz RWDMWYJUHWQGEE-GOSISDBHSA-N 1 1 357.454 1.469 50 0 FDAAMO O=C(c1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000299781723 534693513 /nfs/dbraw/zinc/69/35/13/534693513.db2.gz RWDMWYJUHWQGEE-GOSISDBHSA-N 1 1 357.454 1.469 50 0 FDAAMO COCCN1C[C@@]2(CCCN(C(=O)CCn3cc[nH+]c3C)C2)CCC1=O ZINC000077376099 523311980 /nfs/dbraw/zinc/31/19/80/523311980.db2.gz OFDNPRFZHOJSPG-IBGZPJMESA-N 1 1 362.474 1.459 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)C2)CC1 ZINC000077419868 523330580 /nfs/dbraw/zinc/33/05/80/523330580.db2.gz KRWKJTVHZDXALW-GOSISDBHSA-N 1 1 371.481 1.406 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)C2)CC1 ZINC000077419868 523330587 /nfs/dbraw/zinc/33/05/87/523330587.db2.gz KRWKJTVHZDXALW-GOSISDBHSA-N 1 1 371.481 1.406 50 0 FDAAMO CCOc1cc(-c2nccn2[C@H]2COC[C@@H]2[NH+]2CCN(C)CC2)ccc1O ZINC000077470427 523351346 /nfs/dbraw/zinc/35/13/46/523351346.db2.gz VSSROZXDSDPJMD-IRXDYDNUSA-N 1 1 372.469 1.842 50 0 FDAAMO CCOc1cc(-c2nccn2[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)ccc1O ZINC000077470427 523351352 /nfs/dbraw/zinc/35/13/52/523351352.db2.gz VSSROZXDSDPJMD-IRXDYDNUSA-N 1 1 372.469 1.842 50 0 FDAAMO CCCCc1nn(CC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c(=O)n1CC ZINC000077516344 523368839 /nfs/dbraw/zinc/36/88/39/523368839.db2.gz IEZKFWKVBGTPMV-QGZVFWFLSA-N 1 1 371.485 1.580 50 0 FDAAMO Cc1ccsc1[C@@H]1CCN(C(=O)CC[N@@H+]2CCCN(C)CC2)C[C@H]1O ZINC000067515376 523478988 /nfs/dbraw/zinc/47/89/88/523478988.db2.gz UDPDHRKQYAINFI-IAGOWNOFSA-N 1 1 365.543 1.761 50 0 FDAAMO Cc1ccsc1[C@@H]1CCN(C(=O)CCN2CCC[N@@H+](C)CC2)C[C@H]1O ZINC000067515376 523478992 /nfs/dbraw/zinc/47/89/92/523478992.db2.gz UDPDHRKQYAINFI-IAGOWNOFSA-N 1 1 365.543 1.761 50 0 FDAAMO Cc1ccsc1[C@@H]1CCN(C(=O)CCN2CCC[N@H+](C)CC2)C[C@H]1O ZINC000067515376 523479000 /nfs/dbraw/zinc/47/90/00/523479000.db2.gz UDPDHRKQYAINFI-IAGOWNOFSA-N 1 1 365.543 1.761 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(C)c(F)c2)C1 ZINC000091678584 523619528 /nfs/dbraw/zinc/61/95/28/523619528.db2.gz QQAXOPTZDDUCHV-HZPDHXFCSA-N 1 1 352.450 1.783 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 ZINC000082138728 523791238 /nfs/dbraw/zinc/79/12/38/523791238.db2.gz XFGACMHNVCSTNC-GOSISDBHSA-N 1 1 373.501 1.516 50 0 FDAAMO O=C(c1ccccc1)N1CCC([N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)CC1 ZINC000299791390 534743048 /nfs/dbraw/zinc/74/30/48/534743048.db2.gz FJAGUZLTBYRPCW-OALUTQOASA-N 1 1 367.453 1.729 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000082121908 524213299 /nfs/dbraw/zinc/21/32/99/524213299.db2.gz REQHOFVWIOOTAJ-OAHLLOKOSA-N 1 1 362.449 1.062 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)cc2C1 ZINC000082120752 524213894 /nfs/dbraw/zinc/21/38/94/524213894.db2.gz DQUAKFVXFUKTLM-QGZVFWFLSA-N 1 1 374.485 1.847 50 0 FDAAMO CCOCCOc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000084802732 524331128 /nfs/dbraw/zinc/33/11/28/524331128.db2.gz DKDHAYKERTZALH-JKSUJKDBSA-N 1 1 368.499 1.959 50 0 FDAAMO NC(=O)c1ccc(NC(=O)CC[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000112698775 524539187 /nfs/dbraw/zinc/53/91/87/524539187.db2.gz LRYHUZRYVYOWPW-UHFFFAOYSA-N 1 1 355.438 1.651 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)[nH+]1 ZINC000091289072 524543835 /nfs/dbraw/zinc/54/38/35/524543835.db2.gz GQCUUMQUKAQDFZ-UHFFFAOYSA-N 1 1 356.470 1.687 50 0 FDAAMO O=S(=O)(N1CCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091320826 524692036 /nfs/dbraw/zinc/69/20/36/524692036.db2.gz VMZVDFUAUBOFPX-DOTOQJQBSA-N 1 1 350.488 1.318 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000091326789 524693483 /nfs/dbraw/zinc/69/34/83/524693483.db2.gz NZRNHHVDWDHSMB-IBGZPJMESA-N 1 1 360.458 1.191 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCn2cc(-c3ccc4ccccc4n3)nn2)C1 ZINC000091550422 524723685 /nfs/dbraw/zinc/72/36/85/524723685.db2.gz GLTWGWKRBMIEGF-HNNXBMFYSA-N 1 1 350.426 1.691 50 0 FDAAMO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)n(C)n1 ZINC000091620038 524741893 /nfs/dbraw/zinc/74/18/93/524741893.db2.gz SCZBSFMJPQVNQX-LSDHHAIUSA-N 1 1 361.490 1.168 50 0 FDAAMO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)n(C)n1 ZINC000091620038 524741902 /nfs/dbraw/zinc/74/19/02/524741902.db2.gz SCZBSFMJPQVNQX-LSDHHAIUSA-N 1 1 361.490 1.168 50 0 FDAAMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)C2(c3ccc(C)cc3)CC2)[C@@H](C(C)C)C1 ZINC000091624991 524744876 /nfs/dbraw/zinc/74/48/76/524744876.db2.gz YSJZIONJERGFSV-MSOLQXFVSA-N 1 1 357.498 1.845 50 0 FDAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)C2(c3ccc(C)cc3)CC2)[C@@H](C(C)C)C1 ZINC000091624991 524744886 /nfs/dbraw/zinc/74/48/86/524744886.db2.gz YSJZIONJERGFSV-MSOLQXFVSA-N 1 1 357.498 1.845 50 0 FDAAMO CSc1ccc(C[N@H+]2CC[C@@]3(O)CCN(S(C)(=O)=O)C[C@H]3C2)cc1 ZINC000091643803 524751296 /nfs/dbraw/zinc/75/12/96/524751296.db2.gz PQKKZIHOJUUMFA-NVXWUHKLSA-N 1 1 370.540 1.627 50 0 FDAAMO COCCN1CC[C@]2(C[N@H+](C3Cc4ccccc4C3)CCN2C)CCC1=O ZINC000091663053 524756587 /nfs/dbraw/zinc/75/65/87/524756587.db2.gz IAVQUQHWENKCCJ-QFIPXVFZSA-N 1 1 371.525 1.799 50 0 FDAAMO COCCN1CC[C@]2(CN(C3Cc4ccccc4C3)CC[N@@H+]2C)CCC1=O ZINC000091663053 524756593 /nfs/dbraw/zinc/75/65/93/524756593.db2.gz IAVQUQHWENKCCJ-QFIPXVFZSA-N 1 1 371.525 1.799 50 0 FDAAMO COCCN1CC[C@]2(CN(C3Cc4ccccc4C3)CC[N@H+]2C)CCC1=O ZINC000091663053 524756602 /nfs/dbraw/zinc/75/66/02/524756602.db2.gz IAVQUQHWENKCCJ-QFIPXVFZSA-N 1 1 371.525 1.799 50 0 FDAAMO Cn1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)ccc1=O ZINC000091665682 524759777 /nfs/dbraw/zinc/75/97/77/524759777.db2.gz OGJYMRJRTBZCDU-CRAIPNDOSA-N 1 1 352.438 1.517 50 0 FDAAMO O=C(c1cnn2cccnc12)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091707595 524764305 /nfs/dbraw/zinc/76/43/05/524764305.db2.gz WDPFWCLHQGGAID-DLBZAZTESA-N 1 1 362.437 1.861 50 0 FDAAMO O=c1cc(CN2CCC([N@H+]3CCNC(=O)CC3)CC2)[nH]c2ccc(F)cc12 ZINC000091694217 524764671 /nfs/dbraw/zinc/76/46/71/524764671.db2.gz DCOSMIVHHABQJQ-UHFFFAOYSA-N 1 1 372.444 1.454 50 0 FDAAMO O=C(c1cc(F)cc(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091713050 524765295 /nfs/dbraw/zinc/76/52/95/524765295.db2.gz VCJDCOZSGGPEEJ-ZIAGYGMSSA-N 1 1 356.825 1.492 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2(c3ccccc3F)CCCC2)C1 ZINC000091737703 524772003 /nfs/dbraw/zinc/77/20/03/524772003.db2.gz CTYIILRXMLXYQL-HNNXBMFYSA-N 1 1 361.461 1.951 50 0 FDAAMO COc1ccc(O)cc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082083219 524781131 /nfs/dbraw/zinc/78/11/31/524781131.db2.gz YTUIYEDWSQBLAI-FQEVSTJZSA-N 1 1 362.470 1.988 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)CCOc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091794135 524786487 /nfs/dbraw/zinc/78/64/87/524786487.db2.gz KLPZXLLJOVQAPP-HXUWFJFHSA-N 1 1 359.470 1.611 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000091817736 524790239 /nfs/dbraw/zinc/79/02/39/524790239.db2.gz NRIRVXDJHVIRCV-LBPRGKRZSA-N 1 1 355.891 1.746 50 0 FDAAMO O=C1N(CCO)CCC[C@@]12CC[N@@H+](Cc1cncn1Cc1ccccc1)C2 ZINC000091849101 524801072 /nfs/dbraw/zinc/80/10/72/524801072.db2.gz ZJYLWPAEDZLOHH-NRFANRHFSA-N 1 1 368.481 1.738 50 0 FDAAMO Cc1ccc2[nH]c(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)cc2c1 ZINC000091872661 524804329 /nfs/dbraw/zinc/80/43/29/524804329.db2.gz SMFQSTOIRZTHKA-QZTJIDSGSA-N 1 1 372.513 1.650 50 0 FDAAMO Cc1ccc2[nH]c(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)cc2c1 ZINC000091872661 524804342 /nfs/dbraw/zinc/80/43/42/524804342.db2.gz SMFQSTOIRZTHKA-QZTJIDSGSA-N 1 1 372.513 1.650 50 0 FDAAMO O=C(Cn1cnc2ccccc2c1=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000091914619 524811355 /nfs/dbraw/zinc/81/13/55/524811355.db2.gz WWVKRUPPNXUWCH-MRXNPFEDSA-N 1 1 370.453 1.110 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCn2cnnn2)C3)cc1 ZINC000091908450 524811871 /nfs/dbraw/zinc/81/18/71/524811871.db2.gz RDACICWTEXLTBO-DLBZAZTESA-N 1 1 370.457 1.195 50 0 FDAAMO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC000091908375 524812181 /nfs/dbraw/zinc/81/21/81/524812181.db2.gz PYCNBVANIPCGTC-UHFFFAOYSA-N 1 1 369.387 1.794 50 0 FDAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1scc3c1OCCO3)CC2 ZINC000092019793 524829653 /nfs/dbraw/zinc/82/96/53/524829653.db2.gz SPAJBPRNDODIBN-UHFFFAOYSA-N 1 1 374.466 1.862 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1scc3c1OCCO3)CC2 ZINC000092019793 524829662 /nfs/dbraw/zinc/82/96/62/524829662.db2.gz SPAJBPRNDODIBN-UHFFFAOYSA-N 1 1 374.466 1.862 50 0 FDAAMO CCCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)[nH]n1 ZINC000092021329 524831105 /nfs/dbraw/zinc/83/11/05/524831105.db2.gz SOGKSTPTDICXIB-QKPAOTATSA-N 1 1 364.490 1.152 50 0 FDAAMO CCCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n[nH]1 ZINC000092021329 524831128 /nfs/dbraw/zinc/83/11/28/524831128.db2.gz SOGKSTPTDICXIB-QKPAOTATSA-N 1 1 364.490 1.152 50 0 FDAAMO CCCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n[nH]1 ZINC000092021329 524831139 /nfs/dbraw/zinc/83/11/39/524831139.db2.gz SOGKSTPTDICXIB-QKPAOTATSA-N 1 1 364.490 1.152 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCC(=O)N(C)C)C3)cc1 ZINC000092037184 524833229 /nfs/dbraw/zinc/83/32/29/524833229.db2.gz RTDPPGRIFUHJTJ-ZWKOTPCHSA-N 1 1 373.497 1.986 50 0 FDAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O)NC1CCCCCC1 ZINC000092038293 524833788 /nfs/dbraw/zinc/83/37/88/524833788.db2.gz OYPYBENSHXOLIH-IBGZPJMESA-N 1 1 351.491 1.132 50 0 FDAAMO COc1c[nH]c(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cc1=O ZINC000092077713 524843840 /nfs/dbraw/zinc/84/38/40/524843840.db2.gz FVCFVUFKVMHZCY-FQEVSTJZSA-N 1 1 359.470 1.998 50 0 FDAAMO COc1ccccc1CCC(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000092080775 524845358 /nfs/dbraw/zinc/84/53/58/524845358.db2.gz JCWUMCZEUQQHIQ-FQEVSTJZSA-N 1 1 359.470 1.441 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3cc(=O)c(OC)co3)C2)C1=O ZINC000092096846 524847355 /nfs/dbraw/zinc/84/73/55/524847355.db2.gz YRNPCERTWXIZDM-GOSISDBHSA-N 1 1 350.415 1.109 50 0 FDAAMO Cc1ncc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)c(=O)[nH]1 ZINC000092107183 524849672 /nfs/dbraw/zinc/84/96/72/524849672.db2.gz FMQAHDNRTAWQFL-FUHWJXTLSA-N 1 1 367.453 1.139 50 0 FDAAMO NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)o1 ZINC000114694716 524852929 /nfs/dbraw/zinc/85/29/29/524852929.db2.gz ZDZLXWPIQMNODQ-CQSZACIVSA-N 1 1 363.439 1.321 50 0 FDAAMO COc1ccc(OC2CCN(C(=O)[C@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000082134001 524925745 /nfs/dbraw/zinc/92/57/45/524925745.db2.gz ZMJYZIHDVWLMPZ-INIZCTEOSA-N 1 1 361.486 1.701 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CC[C@H](C)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC000082139104 524959422 /nfs/dbraw/zinc/95/94/22/524959422.db2.gz HPANFUZSPPILGR-SFHVURJKSA-N 1 1 372.513 1.586 50 0 FDAAMO CSc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000095354150 525028950 /nfs/dbraw/zinc/02/89/50/525028950.db2.gz DLIHDTWYZZONEL-IAGOWNOFSA-N 1 1 363.527 1.336 50 0 FDAAMO Cc1ccc([C@@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[NH+](C)C)cc1 ZINC000095358065 525030882 /nfs/dbraw/zinc/03/08/82/525030882.db2.gz OSXDTXXSQCOJDC-IBGZPJMESA-N 1 1 373.497 1.695 50 0 FDAAMO CN1CC[C@@]2(CN(Cc3cnc(-c4ccco4)nc3)CC[N@H+]2C)CCC1=O ZINC000095365403 525039110 /nfs/dbraw/zinc/03/91/10/525039110.db2.gz SWJVOEHOTNEHKK-HXUWFJFHSA-N 1 1 369.469 1.865 50 0 FDAAMO Cc1nccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3cccnc3N)C2)n1C ZINC000095365352 525039569 /nfs/dbraw/zinc/03/95/69/525039569.db2.gz JRYMIMDRHIMJHQ-INIZCTEOSA-N 1 1 366.473 1.725 50 0 FDAAMO NC(=O)COc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)c1 ZINC000095373999 525047348 /nfs/dbraw/zinc/04/73/48/525047348.db2.gz WZQQDXSWXTYTQD-DLBZAZTESA-N 1 1 357.454 1.384 50 0 FDAAMO CN(C)c1ccc(CC(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000095375622 525050850 /nfs/dbraw/zinc/05/08/50/525050850.db2.gz YCMQCTSIIILOGH-OAQYLSRUSA-N 1 1 372.513 1.450 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095381367 525053795 /nfs/dbraw/zinc/05/37/95/525053795.db2.gz RNSHXWFOJUGKEG-LBPRGKRZSA-N 1 1 355.489 1.374 50 0 FDAAMO CCN1CC[C@]2(CN(Cc3cncn3CCOC)CC[N@H+]2C)CCC1=O ZINC000095387369 525060323 /nfs/dbraw/zinc/06/03/23/525060323.db2.gz GDRPRQQTKGEKKA-IBGZPJMESA-N 1 1 363.506 1.048 50 0 FDAAMO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000095391070 525062815 /nfs/dbraw/zinc/06/28/15/525062815.db2.gz RPVHXTLZHHCTNW-OAHLLOKOSA-N 1 1 352.446 1.417 50 0 FDAAMO COc1ccc([C@@H]2C[N@H+](Cc3cc(=O)c(OC)co3)C[C@H]2NC(C)=O)cc1 ZINC000095505175 525087689 /nfs/dbraw/zinc/08/76/89/525087689.db2.gz PNEMJNDQECSFQD-ZWKOTPCHSA-N 1 1 372.421 1.761 50 0 FDAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(=O)c(OC)co3)C[C@H]2NC(C)=O)cc1 ZINC000095505175 525087699 /nfs/dbraw/zinc/08/76/99/525087699.db2.gz PNEMJNDQECSFQD-ZWKOTPCHSA-N 1 1 372.421 1.761 50 0 FDAAMO CCC[N@@H+]1C[C@H](NC(=O)c2cc(=O)cc(C)o2)C[C@H]1C(=O)N(CC)CC ZINC000095508066 525090589 /nfs/dbraw/zinc/09/05/89/525090589.db2.gz OZRVIJSFCUKVGT-ZBFHGGJFSA-N 1 1 363.458 1.399 50 0 FDAAMO CCC[N@H+]1C[C@H](NC(=O)c2cc(=O)cc(C)o2)C[C@H]1C(=O)N(CC)CC ZINC000095508066 525090600 /nfs/dbraw/zinc/09/06/00/525090600.db2.gz OZRVIJSFCUKVGT-ZBFHGGJFSA-N 1 1 363.458 1.399 50 0 FDAAMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000240454733 525954737 /nfs/dbraw/zinc/95/47/37/525954737.db2.gz FYIPAPKPWFFYRB-RTBURBONSA-N 1 1 350.551 1.735 50 0 FDAAMO COc1ccc(C[N@H+]2CCCN(c3cncc(OCCO)n3)CC2)cc1 ZINC000133047294 526016779 /nfs/dbraw/zinc/01/67/79/526016779.db2.gz RJTOTJYLXPFVAW-UHFFFAOYSA-N 1 1 358.442 1.569 50 0 FDAAMO Cc1ccc([C@H]2C[N@H+](C3CCOCC3)C[C@@H]2NS(=O)(=O)C2CC2)o1 ZINC000091411570 526024812 /nfs/dbraw/zinc/02/48/12/526024812.db2.gz HBYCLJCUSZPXPX-HOTGVXAUSA-N 1 1 354.472 1.617 50 0 FDAAMO O[C@H](c1cn(CC2CC[NH+](Cc3cnc[nH]3)CC2)nn1)c1ccccc1 ZINC000019850729 526301093 /nfs/dbraw/zinc/30/10/93/526301093.db2.gz RIRVPEOWSSAOKA-IBGZPJMESA-N 1 1 352.442 1.995 50 0 FDAAMO O[C@H](c1cn(CC2CC[NH+](Cc3c[nH]cn3)CC2)nn1)c1ccccc1 ZINC000019850729 526301102 /nfs/dbraw/zinc/30/11/02/526301102.db2.gz RIRVPEOWSSAOKA-IBGZPJMESA-N 1 1 352.442 1.995 50 0 FDAAMO O=C(NCc1ccccc1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091603647 526737820 /nfs/dbraw/zinc/73/78/20/526737820.db2.gz GZBLBIZOKRYQSA-SFHVURJKSA-N 1 1 359.470 1.264 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2ncccc2C(N)=O)CC3)C1 ZINC000091793629 536477885 /nfs/dbraw/zinc/47/78/85/536477885.db2.gz AFACUJDAGAOZJN-HNNXBMFYSA-N 1 1 371.485 1.094 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)CC1 ZINC000091616992 526857398 /nfs/dbraw/zinc/85/73/98/526857398.db2.gz CLEVAYDWHFLAMC-OALUTQOASA-N 1 1 373.497 1.828 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)no1 ZINC000091593864 526862539 /nfs/dbraw/zinc/86/25/39/526862539.db2.gz ZNVHMESCQWTEFC-QGZVFWFLSA-N 1 1 361.421 1.464 50 0 FDAAMO Cc1nc2ccc(CNC(=O)c3cn(CC[C@@H]4CCCC[NH2+]4)nn3)cc2[nH]1 ZINC000082133648 527138874 /nfs/dbraw/zinc/13/88/74/527138874.db2.gz JPRYDJMGINBZPX-HNNXBMFYSA-N 1 1 367.457 1.925 50 0 FDAAMO OCC[NH+]1CCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020725808 527553168 /nfs/dbraw/zinc/55/31/68/527553168.db2.gz REAYPUUMJYMKRY-WFRNDULYSA-N 1 1 352.519 1.190 50 0 FDAAMO OCCOCC[NH+]1CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000019892860 527557502 /nfs/dbraw/zinc/55/75/02/527557502.db2.gz HKZFVJCMVWJCCH-UHFFFAOYSA-N 1 1 361.255 1.715 50 0 FDAAMO CCCc1cc(CNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)on1 ZINC000299793328 528600213 /nfs/dbraw/zinc/60/02/13/528600213.db2.gz INQFSDOARLBPRR-OAHLLOKOSA-N 1 1 369.487 1.142 50 0 FDAAMO CC[N@H+]1CCC[C@@H](CN2CCn3nc(CNc4cnccn4)cc3C2)C1 ZINC000299767659 529049216 /nfs/dbraw/zinc/04/92/16/529049216.db2.gz JFFQKWJKXQYNDG-MRXNPFEDSA-N 1 1 355.490 1.833 50 0 FDAAMO CCN1CCN(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC000299764344 529137942 /nfs/dbraw/zinc/13/79/42/529137942.db2.gz RTWLCPQPHVXXEJ-IBGZPJMESA-N 1 1 358.530 1.571 50 0 FDAAMO CCN1CCN(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC000299764344 529137943 /nfs/dbraw/zinc/13/79/43/529137943.db2.gz RTWLCPQPHVXXEJ-IBGZPJMESA-N 1 1 358.530 1.571 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3c[nH]cn3)C2)CC1 ZINC000059311894 537069158 /nfs/dbraw/zinc/06/91/58/537069158.db2.gz WNLUBPYUJDWKPS-MRXNPFEDSA-N 1 1 369.469 1.845 50 0 FDAAMO O=S(=O)(c1cncc(Br)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266185161 537190845 /nfs/dbraw/zinc/19/08/45/537190845.db2.gz LWISBJBOQZAKFP-GFCCVEGCSA-N 1 1 358.261 1.479 50 0 FDAAMO Cc1noc([C@@]23C[N@@H+](Cc4ccccc4)C[C@@H]2CCN(C(=O)CCO)C3)n1 ZINC000257190727 537252600 /nfs/dbraw/zinc/25/26/00/537252600.db2.gz NQFVKHZQLAWBMG-FXAWDEMLSA-N 1 1 370.453 1.363 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000257190686 537252764 /nfs/dbraw/zinc/25/27/64/537252764.db2.gz NLOXFKCZGMBLJO-MSOLQXFVSA-N 1 1 359.470 1.089 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)CN2 ZINC000215286843 537436306 /nfs/dbraw/zinc/43/63/06/537436306.db2.gz FILDJCMUNDFHMD-INIZCTEOSA-N 1 1 350.422 1.837 50 0 FDAAMO CN1C[C@@]2(CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)OC1=O ZINC000215406252 537437535 /nfs/dbraw/zinc/43/75/35/537437535.db2.gz AOQODAZPWKBZBB-MRXNPFEDSA-N 1 1 352.460 1.396 50 0 FDAAMO CN1C[C@@]2(CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)OC1=O ZINC000215406252 537437542 /nfs/dbraw/zinc/43/75/42/537437542.db2.gz AOQODAZPWKBZBB-MRXNPFEDSA-N 1 1 352.460 1.396 50 0 FDAAMO Cc1cccc(CC[N@H+]2CCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 ZINC000218931937 537468665 /nfs/dbraw/zinc/46/86/65/537468665.db2.gz MZZQJIWGLHOXFB-IBGZPJMESA-N 1 1 352.442 1.460 50 0 FDAAMO Cc1cccc(CC[N@@H+]2CCn3nc([C@H](O)c4ccnn4C)cc3C2)n1 ZINC000218931937 537468673 /nfs/dbraw/zinc/46/86/73/537468673.db2.gz MZZQJIWGLHOXFB-IBGZPJMESA-N 1 1 352.442 1.460 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1C ZINC000220316563 537488287 /nfs/dbraw/zinc/48/82/87/537488287.db2.gz BPUMEIOCFMLBNE-UHFFFAOYSA-N 1 1 350.444 1.326 50 0 FDAAMO Cc1nnc(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000221362625 537499649 /nfs/dbraw/zinc/49/96/49/537499649.db2.gz QSBWLJZIMWHWGV-INIZCTEOSA-N 1 1 360.483 1.796 50 0 FDAAMO Cc1nnc(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000221362625 537499654 /nfs/dbraw/zinc/49/96/54/537499654.db2.gz QSBWLJZIMWHWGV-INIZCTEOSA-N 1 1 360.483 1.796 50 0 FDAAMO Nc1nnc(SCC(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)s1 ZINC000222440275 537507413 /nfs/dbraw/zinc/50/74/13/537507413.db2.gz BOLLRUQNBZEISK-LBPRGKRZSA-N 1 1 364.500 1.388 50 0 FDAAMO Nc1nnc(SCC(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s1 ZINC000222440275 537507422 /nfs/dbraw/zinc/50/74/22/537507422.db2.gz BOLLRUQNBZEISK-LBPRGKRZSA-N 1 1 364.500 1.388 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCC2(CNC(=O)O2)CC1)c1ccc2c(c1)OCO2 ZINC000222926220 537515457 /nfs/dbraw/zinc/51/54/57/537515457.db2.gz LCBIZKPYLUYYOF-OAHLLOKOSA-N 1 1 361.398 1.119 50 0 FDAAMO O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000229783816 537574900 /nfs/dbraw/zinc/57/49/00/537574900.db2.gz KSTPICXUDWALEJ-HOCLYGCPSA-N 1 1 354.447 1.341 50 0 FDAAMO O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000229783816 537574907 /nfs/dbraw/zinc/57/49/07/537574907.db2.gz KSTPICXUDWALEJ-HOCLYGCPSA-N 1 1 354.447 1.341 50 0 FDAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2csc(CN)n2)CC1 ZINC000237607389 537633931 /nfs/dbraw/zinc/63/39/31/537633931.db2.gz WTDYXZNRMCYRKU-OKILXGFUSA-N 1 1 351.520 1.232 50 0 FDAAMO O=C(Cn1ccc2ccccc21)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244858657 537653974 /nfs/dbraw/zinc/65/39/74/537653974.db2.gz VPOYDJUYXNMHOQ-UYAOXDASSA-N 1 1 364.449 1.788 50 0 FDAAMO O=C(Cn1ccc2ccccc21)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244858657 537653980 /nfs/dbraw/zinc/65/39/80/537653980.db2.gz VPOYDJUYXNMHOQ-UYAOXDASSA-N 1 1 364.449 1.788 50 0 FDAAMO O=C([C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCN(c2nc[nH]n2)CC1 ZINC000244873183 537654581 /nfs/dbraw/zinc/65/45/81/537654581.db2.gz WLICWOWSIPEGDA-QGZVFWFLSA-N 1 1 372.448 1.820 50 0 FDAAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(-c2ccccc2CO)cc1 ZINC000426652991 538118315 /nfs/dbraw/zinc/11/83/15/538118315.db2.gz QITQCTMLQWKLEK-IBGZPJMESA-N 1 1 353.466 1.822 50 0 FDAAMO COc1cccc(-c2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)n1 ZINC000426673998 538121071 /nfs/dbraw/zinc/12/10/71/538121071.db2.gz GXTGWWHUZVSCHX-UHFFFAOYSA-N 1 1 368.437 1.437 50 0 FDAAMO Nc1cnc(-c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cc2)cn1 ZINC000426642857 538425956 /nfs/dbraw/zinc/42/59/56/538425956.db2.gz FFYKCFOZHFQBOE-UHFFFAOYSA-N 1 1 367.453 1.663 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC000575616974 550467032 /nfs/dbraw/zinc/46/70/32/550467032.db2.gz OUJITAPHVNBPLA-LBPRGKRZSA-N 1 1 371.407 1.922 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000245329253 568197941 /nfs/dbraw/zinc/19/79/41/568197941.db2.gz RXYXDZIZCAWVBF-RDJZCZTQSA-N 1 1 373.501 1.019 50 0 FDAAMO CN(Cc1nc2ccccc2n1C)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000426536282 570615400 /nfs/dbraw/zinc/61/54/00/570615400.db2.gz LYEGZBPLOJTMCS-OAHLLOKOSA-N 1 1 359.474 1.419 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000105038491 570866782 /nfs/dbraw/zinc/86/67/82/570866782.db2.gz PPUYQZQIUBIXDG-HZPDHXFCSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000105038491 570866786 /nfs/dbraw/zinc/86/67/86/570866786.db2.gz PPUYQZQIUBIXDG-HZPDHXFCSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000105022080 570866977 /nfs/dbraw/zinc/86/69/77/570866977.db2.gz XUKBVRNKIUUYAQ-QZTJIDSGSA-N 1 1 350.459 1.247 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000105022080 570866980 /nfs/dbraw/zinc/86/69/80/570866980.db2.gz XUKBVRNKIUUYAQ-QZTJIDSGSA-N 1 1 350.459 1.247 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045867446 570913499 /nfs/dbraw/zinc/91/34/99/570913499.db2.gz SRKWUQFUWNHQTJ-JQWIXIFHSA-N 1 1 350.385 1.356 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2cnc3ccccn3c2=O)ccn1 ZINC000048314806 570944989 /nfs/dbraw/zinc/94/49/89/570944989.db2.gz IFLHHOFJFQLIKO-UHFFFAOYSA-N 1 1 360.377 1.514 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)C[C@@H]3CN(C)CC[N@H+]3C)c2n1 ZINC000244716058 571115105 /nfs/dbraw/zinc/11/51/05/571115105.db2.gz LHPNVYBWNMQQGU-QGZVFWFLSA-N 1 1 356.470 1.674 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)C[C@@H]3C[N@@H+](C)CCN3C)c2n1 ZINC000244716058 571115106 /nfs/dbraw/zinc/11/51/06/571115106.db2.gz LHPNVYBWNMQQGU-QGZVFWFLSA-N 1 1 356.470 1.674 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)C[C@@H]3C[N@H+](C)CCN3C)c2n1 ZINC000244716058 571115108 /nfs/dbraw/zinc/11/51/08/571115108.db2.gz LHPNVYBWNMQQGU-QGZVFWFLSA-N 1 1 356.470 1.674 50 0 FDAAMO Cc1c(-c2cc(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)on2)cnn1C ZINC000184415996 571128209 /nfs/dbraw/zinc/12/82/09/571128209.db2.gz YRKNXUCDLXJRHF-HNNXBMFYSA-N 1 1 373.457 1.454 50 0 FDAAMO Cc1cccc(OC2CN(c3cc([C@H]4CCOC4)[nH+]c(NCCO)n3)C2)c1 ZINC000426474163 571133571 /nfs/dbraw/zinc/13/35/71/571133571.db2.gz GSUUMDUQPVNFRQ-HNNXBMFYSA-N 1 1 370.453 1.961 50 0 FDAAMO Cc1cnc(C)c(N2CCN(c3cc([C@@H]4CCOC4)[nH+]c(N)n3)CC2)n1 ZINC000426406036 571137598 /nfs/dbraw/zinc/13/75/98/571137598.db2.gz FHHNLRKIRMTUKH-CQSZACIVSA-N 1 1 355.446 1.296 50 0 FDAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000090419683 571177113 /nfs/dbraw/zinc/17/71/13/571177113.db2.gz FGTGHXDTFLLVOM-SUMWQHHRSA-N 1 1 361.417 1.774 50 0 FDAAMO COc1ccnc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)c2)n1 ZINC000426376599 571216760 /nfs/dbraw/zinc/21/67/60/571216760.db2.gz YGYXNKGYXGLPPW-QGZVFWFLSA-N 1 1 370.453 1.729 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)CCCc2nc(-c3cccnc3)no2)C1 ZINC000426399340 571219933 /nfs/dbraw/zinc/21/99/33/571219933.db2.gz CZTTXHBPSWBFQU-CQSZACIVSA-N 1 1 359.430 1.149 50 0 FDAAMO Cc1cc(=O)c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1C ZINC000426412220 571221522 /nfs/dbraw/zinc/22/15/22/571221522.db2.gz IAWRULSODLCVGF-SFHVURJKSA-N 1 1 369.465 1.715 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000426490991 571228033 /nfs/dbraw/zinc/22/80/33/571228033.db2.gz ALUBAUXPBAFBQR-UHFFFAOYSA-N 1 1 361.490 1.944 50 0 FDAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)co1 ZINC000426555807 571231611 /nfs/dbraw/zinc/23/16/11/571231611.db2.gz DQNISLOFSXLCRO-OAHLLOKOSA-N 1 1 374.489 1.448 50 0 FDAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)co1 ZINC000426555807 571231612 /nfs/dbraw/zinc/23/16/12/571231612.db2.gz DQNISLOFSXLCRO-OAHLLOKOSA-N 1 1 374.489 1.448 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C)CC2=O)cc1 ZINC000426685302 571235025 /nfs/dbraw/zinc/23/50/25/571235025.db2.gz MHNHDMXNWFMCER-SFHVURJKSA-N 1 1 358.486 1.833 50 0 FDAAMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000193360070 571280711 /nfs/dbraw/zinc/28/07/11/571280711.db2.gz XZIQUYAXLANXGC-ZETCQYMHSA-N 1 1 355.204 1.710 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1c(F)cccc1F ZINC000012463892 670613342 /nfs/dbraw/zinc/61/33/42/670613342.db2.gz WRAUXFYKCDDRQS-HNNXBMFYSA-N 1 1 353.413 1.818 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1c(F)cccc1F ZINC000012463892 670613348 /nfs/dbraw/zinc/61/33/48/670613348.db2.gz WRAUXFYKCDDRQS-HNNXBMFYSA-N 1 1 353.413 1.818 50 0 FDAAMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000023373060 670704871 /nfs/dbraw/zinc/70/48/71/670704871.db2.gz SQPFFPNLMGEBQN-GOSISDBHSA-N 1 1 350.551 1.927 50 0 FDAAMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000023373060 670704879 /nfs/dbraw/zinc/70/48/79/670704879.db2.gz SQPFFPNLMGEBQN-GOSISDBHSA-N 1 1 350.551 1.927 50 0 FDAAMO CCS(=O)(=O)N1CCC2(C[C@@H](C(=O)Nc3ccccc3)[N@H+](C)C2)CC1 ZINC000675010620 795209659 /nfs/dbraw/zinc/20/96/59/795209659.db2.gz MCUKZCCKCSRRAW-INIZCTEOSA-N 1 1 365.499 1.761 50 0 FDAAMO CCS(=O)(=O)N1CCC2(C[C@@H](C(=O)Nc3ccccc3)[N@@H+](C)C2)CC1 ZINC000675010620 795209662 /nfs/dbraw/zinc/20/96/62/795209662.db2.gz MCUKZCCKCSRRAW-INIZCTEOSA-N 1 1 365.499 1.761 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+]1CCc2c(C(N)=O)nc(-c3ccccc3)n2CC1 ZINC000675023612 795252813 /nfs/dbraw/zinc/25/28/13/795252813.db2.gz ZFYAFNGOZKKQJG-UHFFFAOYSA-N 1 1 364.453 1.749 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN(C)c1ncnc2c1ncn2CC1(O)CCOCC1 ZINC000888097100 808178002 /nfs/dbraw/zinc/17/80/02/808178002.db2.gz AQMDDTAIUBFPIP-HNNXBMFYSA-N 1 1 374.489 1.288 50 0 FDAAMO COc1ncc(Br)cc1CNC(=O)NC[C@@H]1CC[N@H+]1C1CC1 ZINC000888100110 808219611 /nfs/dbraw/zinc/21/96/11/808219611.db2.gz LMGOFICSOHHFNE-ZDUSSCGKSA-N 1 1 369.263 1.889 50 0 FDAAMO Cn1ncc2c1ncnc2N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000046054133 819944536 /nfs/dbraw/zinc/94/45/36/819944536.db2.gz YACHYIBNCVOKHA-INIZCTEOSA-N 1 1 372.860 1.872 50 0 FDAAMO Cc1cnc(C(=O)N2CCC3(C[C@@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cn1 ZINC000169787119 864516959 /nfs/dbraw/zinc/51/69/59/864516959.db2.gz WZWPIIWDOHTIQV-KRWDZBQOSA-N 1 1 373.501 1.044 50 0 FDAAMO COc1cccc2ccc(C[N@H+]3CC[C@@H](N4CCOCC4)[C@H](O)C3)nc21 ZINC000012429741 881942255 /nfs/dbraw/zinc/94/22/55/881942255.db2.gz CHEDBYMWNYBMOQ-QZTJIDSGSA-N 1 1 357.454 1.511 50 0 FDAAMO COc1cccc2ccc(CN3CC[C@@H]([NH+]4CCOCC4)[C@H](O)C3)nc21 ZINC000012429741 881942262 /nfs/dbraw/zinc/94/22/62/881942262.db2.gz CHEDBYMWNYBMOQ-QZTJIDSGSA-N 1 1 357.454 1.511 50 0 FDAAMO Cc1c[nH]c(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CCc2ccccc2)n1 ZINC000012433250 881956858 /nfs/dbraw/zinc/95/68/58/881956858.db2.gz HGZJFWBEBDBNGB-KRWDZBQOSA-N 1 1 369.469 1.110 50 0 FDAAMO Cc1c[nH]c(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCc2ccccc2)n1 ZINC000012433250 881956867 /nfs/dbraw/zinc/95/68/67/881956867.db2.gz HGZJFWBEBDBNGB-KRWDZBQOSA-N 1 1 369.469 1.110 50 0 FDAAMO CC(=O)N1CCc2cc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)ccc21 ZINC000174200391 866338597 /nfs/dbraw/zinc/33/85/97/866338597.db2.gz UDQMMDAZYABEFF-MRXNPFEDSA-N 1 1 357.454 1.390 50 0 FDAAMO CCc1ccc(C[N@H+](C)[C@H]2CN(C(=O)c3ccc(OC)cc3)C[C@@H]2O)nc1 ZINC000012435684 881969435 /nfs/dbraw/zinc/96/94/35/881969435.db2.gz KJBZVGVDXKPEBC-PMACEKPBSA-N 1 1 369.465 1.970 50 0 FDAAMO CCc1ccc(C[N@@H+](C)[C@H]2CN(C(=O)c3ccc(OC)cc3)C[C@@H]2O)nc1 ZINC000012435684 881969452 /nfs/dbraw/zinc/96/94/52/881969452.db2.gz KJBZVGVDXKPEBC-PMACEKPBSA-N 1 1 369.465 1.970 50 0 FDAAMO Cc1ccc(N2CCCC2=O)c(C(=O)NC[C@H](c2cnn(C)c2)[NH+](C)C)c1 ZINC000073796828 879831063 /nfs/dbraw/zinc/83/10/63/879831063.db2.gz OWYBOYRBGSGZDN-GOSISDBHSA-N 1 1 369.469 1.888 50 0 FDAAMO Cn1ccnc1C[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000011664136 892165688 /nfs/dbraw/zinc/16/56/88/892165688.db2.gz OQFQJTQDNWHRMN-GOSISDBHSA-N 1 1 364.396 1.342 50 0 FDAAMO O=C(c1ccncc1)N1CCC2(CC1)C[N@@H+](C[C@H]1CCCCO1)CCO2 ZINC000828193985 924843624 /nfs/dbraw/zinc/84/36/24/924843624.db2.gz ZBRITFLLTVHVEF-GOSISDBHSA-N 1 1 359.470 1.958 50 0 FDAAMO O=S(=O)(Cc1cc(F)ccc1Cl)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000828710832 924927005 /nfs/dbraw/zinc/92/70/05/924927005.db2.gz LWHJFGJNFVFKGX-CQSZACIVSA-N 1 1 364.870 1.745 50 0 FDAAMO CC(C)Oc1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1CO ZINC000828817621 924939911 /nfs/dbraw/zinc/93/99/11/924939911.db2.gz LHBWFOITMRGARV-UHFFFAOYSA-N 1 1 356.488 1.480 50 0 FDAAMO COCCCn1c(C)c[nH+]c1[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000581815643 927609753 /nfs/dbraw/zinc/60/97/53/927609753.db2.gz DZZNCSPBHNUFOF-AWEZNQCLSA-N 1 1 367.475 1.140 50 0 FDAAMO CC(=O)N1CCC(CCC(=O)Nc2ccc(-c3n[nH]c(C[NH3+])n3)cc2)CC1 ZINC000193324911 953221098 /nfs/dbraw/zinc/22/10/98/953221098.db2.gz OKUSNCHAYJVNAB-UHFFFAOYSA-N 1 1 370.457 1.908 50 0 FDAAMO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000952845971 960143252 /nfs/dbraw/zinc/14/32/52/960143252.db2.gz WMRBHGQUCQXZAG-XHDPSFHLSA-N 1 1 350.444 1.439 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)CN(c1nccnc1C)CCO2 ZINC000952860900 960188671 /nfs/dbraw/zinc/18/86/71/960188671.db2.gz VFJUOVLEGIWGBV-UHFFFAOYSA-N 1 1 370.457 1.188 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)C1 ZINC000952869055 960208521 /nfs/dbraw/zinc/20/85/21/960208521.db2.gz LWBXRQXQFPEFBV-IRXDYDNUSA-N 1 1 373.501 1.196 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)C1 ZINC000952869054 960208975 /nfs/dbraw/zinc/20/89/75/960208975.db2.gz LWBXRQXQFPEFBV-IAGOWNOFSA-N 1 1 373.501 1.196 50 0 FDAAMO CC(C)C[N@@H+]1CCN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1CCO ZINC000952874141 960222150 /nfs/dbraw/zinc/22/21/50/960222150.db2.gz XIMWVVCUBXHFDO-SFHVURJKSA-N 1 1 369.531 1.388 50 0 FDAAMO CC(C)C[N@H+]1CCN(S(=O)(=O)N(C)Cc2ccccc2)C[C@@H]1CCO ZINC000952874141 960222159 /nfs/dbraw/zinc/22/21/59/960222159.db2.gz XIMWVVCUBXHFDO-SFHVURJKSA-N 1 1 369.531 1.388 50 0 FDAAMO CCN1CCN(CC(=O)NC2CC[NH+](C3CCSCC3)CC2)CC1 ZINC000952983639 960301209 /nfs/dbraw/zinc/30/12/09/960301209.db2.gz WJYDSMHXNIMTQF-UHFFFAOYSA-N 1 1 354.564 1.100 50 0 FDAAMO COc1ccc(-c2nnc(C)o2)cc1NC(=O)CN1CCC[N@@H+](C)CC1 ZINC000952983791 960302490 /nfs/dbraw/zinc/30/24/90/960302490.db2.gz XDQXZPARUYHMHH-UHFFFAOYSA-N 1 1 359.430 1.630 50 0 FDAAMO Nc1cc[nH+]c(N2CCOC3(CCN(C(=O)CC4CCCC4)CC3)C2)n1 ZINC000952989732 960315315 /nfs/dbraw/zinc/31/53/15/960315315.db2.gz UWHNPRRFBLVFEL-UHFFFAOYSA-N 1 1 359.474 1.837 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 ZINC000111567710 999115137 /nfs/dbraw/zinc/11/51/37/999115137.db2.gz GLFIOXDOWNGVEN-CQSZACIVSA-N 1 1 355.442 1.575 50 0 FDAAMO COc1cccc([C@@H](O)C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC000115533779 999630532 /nfs/dbraw/zinc/63/05/32/999630532.db2.gz NVYLRDQHJZTSCY-KRWDZBQOSA-N 1 1 368.441 1.228 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O ZINC000299796358 529759927 /nfs/dbraw/zinc/75/99/27/529759927.db2.gz RGVLVLUBNDSVDV-CQSZACIVSA-N 1 1 356.492 1.156 50 0 FDAAMO CNc1cc(-c2ccc(C(=O)NCCCc3cnn(C)c3)cc2)[nH+]c(N)n1 ZINC000534647949 540393951 /nfs/dbraw/zinc/39/39/51/540393951.db2.gz OBBRQFHELHSXAX-UHFFFAOYSA-N 1 1 365.441 1.286 50 0 FDAAMO O=C(NCc1ccc2c(c1)OCO2)N1CC[NH+](CCc2ccncc2)CC1 ZINC000263587680 223075681 /nfs/dbraw/zinc/07/56/81/223075681.db2.gz JXTMBGDQUBCRNQ-UHFFFAOYSA-N 1 1 368.437 1.880 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3cc4c(cc3C)OCO4)C[C@H]2O)no1 ZINC000299755025 223081383 /nfs/dbraw/zinc/08/13/83/223081383.db2.gz AGADXBJEPQPMDK-GDBMZVCRSA-N 1 1 373.409 1.385 50 0 FDAAMO Cn1c(CNC(=O)C[N@@H+]2CCC[C@@H](O)C2)nc2cc(C(F)(F)F)ccc21 ZINC000299770974 223089511 /nfs/dbraw/zinc/08/95/11/223089511.db2.gz OTIXDKNBZXCBEM-GFCCVEGCSA-N 1 1 370.375 1.665 50 0 FDAAMO Cn1c(CNC(=O)C[N@H+]2CCC[C@@H](O)C2)nc2cc(C(F)(F)F)ccc21 ZINC000299770974 223089514 /nfs/dbraw/zinc/08/95/14/223089514.db2.gz OTIXDKNBZXCBEM-GFCCVEGCSA-N 1 1 370.375 1.665 50 0 FDAAMO COc1ccc(OCCC[NH3+])c(C(=O)N[C@H]2COC[C@@H]2N2CCCC2)c1 ZINC000299776657 223091448 /nfs/dbraw/zinc/09/14/48/223091448.db2.gz CDWNILJSOFYJCG-IRXDYDNUSA-N 1 1 363.458 1.016 50 0 FDAAMO Nc1nscc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000299794586 223100652 /nfs/dbraw/zinc/10/06/52/223100652.db2.gz KCLIMVMMGOUZKL-ZHTDJMBKSA-N 1 1 369.494 1.023 50 0 FDAAMO CC[C@H](C)C[N@@H+]1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 ZINC000012512520 220002042 /nfs/dbraw/zinc/00/20/42/220002042.db2.gz CMBYFFNWRBFGOB-INIZCTEOSA-N 1 1 371.485 1.878 50 0 FDAAMO COC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012574397 220008205 /nfs/dbraw/zinc/00/82/05/220008205.db2.gz IKAPKOISMABMMT-SFHVURJKSA-N 1 1 373.497 1.652 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cnccn2)CC1 ZINC000012596726 220012469 /nfs/dbraw/zinc/01/24/69/220012469.db2.gz KOKKJIWQUNZWJN-KRWDZBQOSA-N 1 1 373.501 1.710 50 0 FDAAMO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCCN(C(C)=O)CC2)cc1OC ZINC000012793833 220030716 /nfs/dbraw/zinc/03/07/16/220030716.db2.gz SPWAJRFONIXKRR-CQSZACIVSA-N 1 1 363.458 1.263 50 0 FDAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCCN(C(C)=O)CC2)cc1OC ZINC000012793833 220030720 /nfs/dbraw/zinc/03/07/20/220030720.db2.gz SPWAJRFONIXKRR-CQSZACIVSA-N 1 1 363.458 1.263 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000013057110 220056329 /nfs/dbraw/zinc/05/63/29/220056329.db2.gz CFRJJZNGRKDDOW-OKILXGFUSA-N 1 1 353.488 1.853 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715715 220089711 /nfs/dbraw/zinc/08/97/11/220089711.db2.gz NJIFWJYHGNVANS-INIZCTEOSA-N 1 1 371.478 1.534 50 0 FDAAMO C[NH+]1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 ZINC000013733371 220090411 /nfs/dbraw/zinc/09/04/11/220090411.db2.gz AZTGSQNPXAOUGP-UHFFFAOYSA-N 1 1 370.453 1.276 50 0 FDAAMO O=C(CSc1nncs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014640352 220128535 /nfs/dbraw/zinc/12/85/35/220128535.db2.gz KZEINVHXXRPXID-UHFFFAOYSA-N 1 1 356.517 1.782 50 0 FDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)cc1 ZINC000014886492 220134686 /nfs/dbraw/zinc/13/46/86/220134686.db2.gz CWZZJCBWISRHBG-CQSZACIVSA-N 1 1 369.469 1.932 50 0 FDAAMO O=C(Cc1cnc2ncnn2c1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014966063 220137916 /nfs/dbraw/zinc/13/79/16/220137916.db2.gz SXNJCMLOWWRTCE-INIZCTEOSA-N 1 1 368.416 1.587 50 0 FDAAMO O=C(Cc1cnc2ncnn2c1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014966063 220137920 /nfs/dbraw/zinc/13/79/20/220137920.db2.gz SXNJCMLOWWRTCE-INIZCTEOSA-N 1 1 368.416 1.587 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cn2cnnn2)C1 ZINC000014975653 220139379 /nfs/dbraw/zinc/13/93/79/220139379.db2.gz OMYMFTSWNJLYMT-INIZCTEOSA-N 1 1 372.473 1.095 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677416 220160237 /nfs/dbraw/zinc/16/02/37/220160237.db2.gz XRSVOFDZGHXEOQ-UHFFFAOYSA-N 1 1 370.453 1.185 50 0 FDAAMO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019733124 220292081 /nfs/dbraw/zinc/29/20/81/220292081.db2.gz JUJCLYCGVIRFNW-UHFFFAOYSA-N 1 1 363.417 1.627 50 0 FDAAMO CCOC(=O)c1sc(C)c(C(=O)NCCC[NH+]2CCOCC2)c1N ZINC000019706556 220288204 /nfs/dbraw/zinc/28/82/04/220288204.db2.gz VVWCHPIDNVOLMO-UHFFFAOYSA-N 1 1 355.460 1.268 50 0 FDAAMO C[NH+]1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1 ZINC000020289859 220320387 /nfs/dbraw/zinc/32/03/87/220320387.db2.gz LGFAHXITKDXGHL-UHFFFAOYSA-N 1 1 363.842 1.019 50 0 FDAAMO CCCC[N@@H+](CC)CCNC(=O)CCCN1c2cc(C)nn2CCC1=O ZINC000020944002 220345662 /nfs/dbraw/zinc/34/56/62/220345662.db2.gz FCZHLHPQCBUNKN-UHFFFAOYSA-N 1 1 363.506 1.947 50 0 FDAAMO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(c2nccs2)CC1 ZINC000021335300 220356464 /nfs/dbraw/zinc/35/64/64/220356464.db2.gz WLJULAKTBAQESW-UHFFFAOYSA-N 1 1 356.451 1.951 50 0 FDAAMO CC[NH+]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CC1 ZINC000023248698 220419640 /nfs/dbraw/zinc/41/96/40/220419640.db2.gz DOQQOUCAGGNNRK-UHFFFAOYSA-N 1 1 350.444 1.217 50 0 FDAAMO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)N1CCOCC1 ZINC000049377764 221021863 /nfs/dbraw/zinc/02/18/63/221021863.db2.gz YIRPELZVLQASNK-UHFFFAOYSA-N 1 1 374.416 1.914 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(-n2cnnc2)c1)c1ccco1 ZINC000049544748 221024671 /nfs/dbraw/zinc/02/46/71/221024671.db2.gz CVPTVECFIIOJCB-HNNXBMFYSA-N 1 1 368.397 1.218 50 0 FDAAMO Cc1ccc(C)c(NC(=O)CC(=O)NCCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000055269978 221064786 /nfs/dbraw/zinc/06/47/86/221064786.db2.gz NBWNNZVCYBMXCT-KRWDZBQOSA-N 1 1 361.486 1.985 50 0 FDAAMO Cc1cc(N2CCCCC2)n2nc(C[NH+]3CCC4(CC3)OCCO4)nc2n1 ZINC000065311567 221198450 /nfs/dbraw/zinc/19/84/50/221198450.db2.gz XSBKHSRZQFZGRS-UHFFFAOYSA-N 1 1 372.473 1.762 50 0 biogenic FDAAMO CC[N@H+](CCC(=O)Nc1nnc(C2CC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000065375682 221206763 /nfs/dbraw/zinc/20/67/63/221206763.db2.gz MCPXKXUUOYQCEE-LLVKDONJSA-N 1 1 358.489 1.253 50 0 FDAAMO CC[N@@H+](CCC(=O)Nc1nnc(C2CC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000065375682 221206764 /nfs/dbraw/zinc/20/67/64/221206764.db2.gz MCPXKXUUOYQCEE-LLVKDONJSA-N 1 1 358.489 1.253 50 0 FDAAMO O=C(CN1CC[N@@H+](CC2CC2)[C@H](CCO)C1)NC1CCCCCCC1 ZINC000065403242 221212010 /nfs/dbraw/zinc/21/20/10/221212010.db2.gz VHCLOKRBQKGENE-LJQANCHMSA-N 1 1 351.535 1.994 50 0 FDAAMO Cn1c2ccc(CNc3nc(N4CCC[C@@H](O)C4)cc[nH+]3)cc2n(C)c1=O ZINC000065398235 221212485 /nfs/dbraw/zinc/21/24/85/221212485.db2.gz CIOUJVWOEVCCEQ-CQSZACIVSA-N 1 1 368.441 1.240 50 0 FDAAMO Cc1ccccc1[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)[NH+](C)C ZINC000065454588 221220246 /nfs/dbraw/zinc/22/02/46/221220246.db2.gz FAHJJDXHWGYGMV-INIZCTEOSA-N 1 1 353.488 1.140 50 0 FDAAMO Cc1cccc([C@H](C(=O)NCc2cccnc2-n2cncn2)[NH+](C)C)c1 ZINC000065504844 221228926 /nfs/dbraw/zinc/22/89/26/221228926.db2.gz GLSVZLSULATGIC-QGZVFWFLSA-N 1 1 350.426 1.890 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000067433408 221254937 /nfs/dbraw/zinc/25/49/37/221254937.db2.gz PHPRJFPMNNQSHE-UHFFFAOYSA-N 1 1 352.438 1.661 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3ccno3)C2=O)c1 ZINC000067473314 221256552 /nfs/dbraw/zinc/25/65/52/221256552.db2.gz KYODTPVRHREFFC-GOSISDBHSA-N 1 1 363.389 1.466 50 0 FDAAMO CCc1cccc(NC(=O)CCC(=O)N2CCC3(CC2)[NH2+]CCNC3=O)c1 ZINC000067603906 221262370 /nfs/dbraw/zinc/26/23/70/221262370.db2.gz RCQJLGKQCHQPGA-UHFFFAOYSA-N 1 1 372.469 1.048 50 0 FDAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3snnc3C)[nH+]c(C)n2)n1 ZINC000067621115 221263445 /nfs/dbraw/zinc/26/34/45/221263445.db2.gz STQWVFOKSDUYCM-UHFFFAOYSA-N 1 1 372.458 1.589 50 0 FDAAMO Cc1cc(=O)oc2cc(CN3CC[NH+](CCn4cncn4)CC3)ccc12 ZINC000067803314 221287264 /nfs/dbraw/zinc/28/72/64/221287264.db2.gz KGCUXZKVIQZUGF-UHFFFAOYSA-N 1 1 353.426 1.511 50 0 FDAAMO Cc1cc(=O)oc2cc(C[NH+]3CCN(CCn4cncn4)CC3)ccc12 ZINC000067803314 221287265 /nfs/dbraw/zinc/28/72/65/221287265.db2.gz KGCUXZKVIQZUGF-UHFFFAOYSA-N 1 1 353.426 1.511 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067975465 221311562 /nfs/dbraw/zinc/31/15/62/221311562.db2.gz FQCHXPWEBPJZSZ-ROUUACIJSA-N 1 1 358.442 1.826 50 0 FDAAMO C[N@@H+](CCc1cn[nH]c1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067973809 221310576 /nfs/dbraw/zinc/31/05/76/221310576.db2.gz FTKDETFTODCIJU-IBGZPJMESA-N 1 1 360.433 1.577 50 0 FDAAMO COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC000068353897 221315235 /nfs/dbraw/zinc/31/52/35/221315235.db2.gz WOUFGTJJVITCFV-OAHLLOKOSA-N 1 1 351.472 1.875 50 0 FDAAMO Cc1nnnn1-c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000071280167 221336889 /nfs/dbraw/zinc/33/68/89/221336889.db2.gz FILDFDDGPXTRFI-UHFFFAOYSA-N 1 1 362.437 1.929 50 0 FDAAMO COCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071735794 221356907 /nfs/dbraw/zinc/35/69/07/221356907.db2.gz SQQHHSYZCADOLY-LJQANCHMSA-N 1 1 374.529 1.911 50 0 FDAAMO Cc1nc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c(C)o1 ZINC000071721589 221356978 /nfs/dbraw/zinc/35/69/78/221356978.db2.gz NGBZVBZDTPUTJJ-OAHLLOKOSA-N 1 1 374.485 1.887 50 0 FDAAMO Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071730382 221357267 /nfs/dbraw/zinc/35/72/67/221357267.db2.gz DLWLJBXRKMCYTE-OAHLLOKOSA-N 1 1 358.486 1.620 50 0 FDAAMO COC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071751782 221362117 /nfs/dbraw/zinc/36/21/17/221362117.db2.gz HNJWPNWTIYPLRZ-INIZCTEOSA-N 1 1 374.485 1.047 50 0 FDAAMO CN(C)c1ncnc2c1CCN(C(=O)C[N@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC000071771122 221374307 /nfs/dbraw/zinc/37/43/07/221374307.db2.gz UMRIWPQQINBYOW-QGZVFWFLSA-N 1 1 365.481 1.917 50 0 FDAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)on1 ZINC000071774922 221374866 /nfs/dbraw/zinc/37/48/66/221374866.db2.gz JOVQCPBCXKGXPE-INIZCTEOSA-N 1 1 374.485 1.712 50 0 FDAAMO CCN1C[C@]2(CCC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C2)CCC1=O ZINC000082116138 132195911 /nfs/dbraw/zinc/19/59/11/132195911.db2.gz IKOHIOKXPXVDCA-HXUWFJFHSA-N 1 1 373.501 1.538 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCN(c2ccc(OC)cc2)C(=O)[C@@H]1C ZINC000092062387 132206035 /nfs/dbraw/zinc/20/60/35/132206035.db2.gz JPSUVEGMHSDDPT-AWEZNQCLSA-N 1 1 356.426 1.718 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CC[C@@](O)(CO)C3)CC2)nc(-c2ccccc2)n1 ZINC000096163361 132221581 /nfs/dbraw/zinc/22/15/81/132221581.db2.gz CYGLNGATHVHWSC-NRFANRHFSA-N 1 1 368.481 1.850 50 0 FDAAMO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[N@@H+](C)[C@@H](CCO)C3)c12 ZINC000106950027 132240621 /nfs/dbraw/zinc/24/06/21/132240621.db2.gz SLCVYUMFQPMZIA-AWEZNQCLSA-N 1 1 367.457 1.237 50 0 FDAAMO C[C@@H](O)C[N@H+]1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@@H](C)C1 ZINC000170086242 132264067 /nfs/dbraw/zinc/26/40/67/132264067.db2.gz BJURPTWZAIJLLU-UONOGXRCSA-N 1 1 368.441 1.000 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(c3nccc(N)n3)C[C@H]2CCO)cc(OC)c1 ZINC000106948461 132266121 /nfs/dbraw/zinc/26/61/21/132266121.db2.gz RJOWNFAFQOGOKF-OAHLLOKOSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1cc(C[N@H+]2CCN(c3nccc(N)n3)C[C@H]2CCO)cc(OC)c1 ZINC000106948461 132266122 /nfs/dbraw/zinc/26/61/22/132266122.db2.gz RJOWNFAFQOGOKF-OAHLLOKOSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1ccc(CN2CCN(c3cc[nH+]c(N)n3)C[C@H]2CCO)c(F)c1 ZINC000106987507 132266200 /nfs/dbraw/zinc/26/62/00/132266200.db2.gz SXXBRAOPEYAWOR-CQSZACIVSA-N 1 1 361.421 1.280 50 0 FDAAMO C[C@H](OCC(F)(F)F)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000043033894 132950360 /nfs/dbraw/zinc/95/03/60/132950360.db2.gz MYVUCOILLXNBEA-AWEZNQCLSA-N 1 1 359.392 1.892 50 0 FDAAMO O=c1cc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cn[nH]1 ZINC000055402136 136126681 /nfs/dbraw/zinc/12/66/81/136126681.db2.gz HFMJEZSSZDMMFE-UHFFFAOYSA-N 1 1 354.389 1.621 50 0 FDAAMO CCCCN1c2ncccc2O[C@](C)(C(=O)N2CC[NH+](CC)CC2)C1=O ZINC000064759706 136133742 /nfs/dbraw/zinc/13/37/42/136133742.db2.gz ODOPGKLLTCPDOQ-LJQANCHMSA-N 1 1 360.458 1.530 50 0 FDAAMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891404 173354452 /nfs/dbraw/zinc/35/44/52/173354452.db2.gz SUJCDMBYNNJRJV-PBHICJAKSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891404 173354453 /nfs/dbraw/zinc/35/44/53/173354453.db2.gz SUJCDMBYNNJRJV-PBHICJAKSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC000135891404 173354455 /nfs/dbraw/zinc/35/44/55/173354455.db2.gz SUJCDMBYNNJRJV-PBHICJAKSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)NC(=O)NC ZINC000135891404 173354457 /nfs/dbraw/zinc/35/44/57/173354457.db2.gz SUJCDMBYNNJRJV-PBHICJAKSA-N 1 1 361.490 1.378 50 0 FDAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000175885986 174034872 /nfs/dbraw/zinc/03/48/72/174034872.db2.gz LSXJUCBFPBURRL-IAGOWNOFSA-N 1 1 369.473 1.825 50 0 FDAAMO Cc1ccc(C)c(NC(=O)CC[N@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000299781583 533681790 /nfs/dbraw/zinc/68/17/90/533681790.db2.gz DVSSUWBMKMYNDE-UHFFFAOYSA-N 1 1 353.488 1.599 50 0 FDAAMO Cc1ncsc1C[N@@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096132004 222036672 /nfs/dbraw/zinc/03/66/72/222036672.db2.gz QEFSZPUEPNXYQJ-GUYCJALGSA-N 1 1 351.472 1.449 50 0 FDAAMO Cc1ncsc1C[N@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096132004 222036676 /nfs/dbraw/zinc/03/66/76/222036676.db2.gz QEFSZPUEPNXYQJ-GUYCJALGSA-N 1 1 351.472 1.449 50 0 FDAAMO Cc1ncsc1C[NH+]1C[C@H]2C[N@@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096132004 222036680 /nfs/dbraw/zinc/03/66/80/222036680.db2.gz QEFSZPUEPNXYQJ-GUYCJALGSA-N 1 1 351.472 1.449 50 0 FDAAMO Cc1ncsc1C[NH+]1C[C@H]2C[N@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096132004 222036683 /nfs/dbraw/zinc/03/66/83/222036683.db2.gz QEFSZPUEPNXYQJ-GUYCJALGSA-N 1 1 351.472 1.449 50 0 FDAAMO CCC[N@@H+]1C[C@H](NC(=O)c2cnc(C3CC3)nc2)C[C@H]1C(=O)N(CC)CC ZINC000096153649 222055090 /nfs/dbraw/zinc/05/50/90/222055090.db2.gz QYPXBRZCVRIGHW-SJORKVTESA-N 1 1 373.501 1.805 50 0 FDAAMO CCC[N@H+]1C[C@H](NC(=O)c2cnc(C3CC3)nc2)C[C@H]1C(=O)N(CC)CC ZINC000096153649 222055094 /nfs/dbraw/zinc/05/50/94/222055094.db2.gz QYPXBRZCVRIGHW-SJORKVTESA-N 1 1 373.501 1.805 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc[nH]2)C[N@H+]1C1CCOCC1 ZINC000096162256 222061851 /nfs/dbraw/zinc/06/18/51/222061851.db2.gz IVFCIZUEJAOMHS-YOEHRIQHSA-N 1 1 362.474 1.235 50 0 FDAAMO COCCN(Cc1ccccn1)C(=O)c1ccc(CN2CC[NH+](C)CC2)o1 ZINC000097436758 222180032 /nfs/dbraw/zinc/18/00/32/222180032.db2.gz FDAXPIZMKLDHHJ-UHFFFAOYSA-N 1 1 372.469 1.711 50 0 FDAAMO Cc1ccc(F)cc1CNC(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000097527219 222188051 /nfs/dbraw/zinc/18/80/51/222188051.db2.gz WDHHZKDDRFSXNS-KRWDZBQOSA-N 1 1 368.474 1.649 50 0 FDAAMO CN1CCc2n[nH]c(C(=O)N[C@@H]3CCC[N@@H+](Cc4cccs4)C3)c2C1 ZINC000097601069 222196346 /nfs/dbraw/zinc/19/63/46/222196346.db2.gz IUMGWSJBSBWWIH-CYBMUJFWSA-N 1 1 359.499 1.854 50 0 FDAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000097696270 222206295 /nfs/dbraw/zinc/20/62/95/222206295.db2.gz ISJUYMDMEJCCRG-OAHLLOKOSA-N 1 1 355.442 1.312 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000100153627 222236916 /nfs/dbraw/zinc/23/69/16/222236916.db2.gz UMMYLBGDOPRQOH-ZDUSSCGKSA-N 1 1 353.781 1.308 50 0 FDAAMO COC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000103292779 222331495 /nfs/dbraw/zinc/33/14/95/222331495.db2.gz PAUOQMLMQNQOSZ-QGZVFWFLSA-N 1 1 374.437 1.250 50 0 FDAAMO Cc1cc2n(n1)CC[N@H+](C[C@H]1[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]13)C2 ZINC000102655011 222302061 /nfs/dbraw/zinc/30/20/61/222302061.db2.gz LVDKHTUWNYQWKI-OSYLJGHBSA-N 1 1 355.442 1.630 50 0 FDAAMO Cc1cc2n(n1)CC[N@@H+](C[C@H]1[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]13)C2 ZINC000102655011 222302063 /nfs/dbraw/zinc/30/20/63/222302063.db2.gz LVDKHTUWNYQWKI-OSYLJGHBSA-N 1 1 355.442 1.630 50 0 FDAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccc(OCCO)cc2)C[C@H]1CCO ZINC000104383053 222358475 /nfs/dbraw/zinc/35/84/75/222358475.db2.gz QYYZHQIOJFWTIX-GOSISDBHSA-N 1 1 350.503 1.972 50 0 FDAAMO COc1cccc(-c2cc(C(=O)N3CCN4CC[N@@H+](C)C[C@@H]4C3)[nH]n2)c1 ZINC000106249224 222385298 /nfs/dbraw/zinc/38/52/98/222385298.db2.gz OICMLYOGJSLZKL-OAHLLOKOSA-N 1 1 355.442 1.157 50 0 FDAAMO C[N@H+]1CCN(Cc2noc(-c3ccccc3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107403866 222394098 /nfs/dbraw/zinc/39/40/98/222394098.db2.gz PXQFBFRDQZYBLS-LJQANCHMSA-N 1 1 355.442 1.523 50 0 FDAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)CC2)cn1 ZINC000329224724 259086095 /nfs/dbraw/zinc/08/60/95/259086095.db2.gz FRNJGAIWLPJQGL-UHFFFAOYSA-N 1 1 366.425 1.417 50 0 FDAAMO Cn1cc(C[N@H+]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)CC2)cn1 ZINC000329224724 259086096 /nfs/dbraw/zinc/08/60/96/259086096.db2.gz FRNJGAIWLPJQGL-UHFFFAOYSA-N 1 1 366.425 1.417 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](CCC(N)=O)C3)C2=O)c1 ZINC000426612927 263643909 /nfs/dbraw/zinc/64/39/09/263643909.db2.gz SHODQICHOACIKK-IBGZPJMESA-N 1 1 363.433 1.524 50 0 FDAAMO Cc1cc(=O)n2nc(NCc3ccccc3C[NH+]3CCOCC3)sc2n1 ZINC000040039771 518186340 /nfs/dbraw/zinc/18/63/40/518186340.db2.gz LUGKUVMVIMMXQT-UHFFFAOYSA-N 1 1 371.466 1.904 50 0 FDAAMO Cc1ccc(CN2[NH+]=C(C)[C@@H](C)n3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1 ZINC000005148004 518332553 /nfs/dbraw/zinc/33/25/53/518332553.db2.gz QEWCMEXCPKPLJS-CYBMUJFWSA-N 1 1 366.425 1.699 50 0 FDAAMO CC(=O)c1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cc1 ZINC000091526438 518335495 /nfs/dbraw/zinc/33/54/95/518335495.db2.gz CTXIMIVKKFQZIY-NHCUHLMSSA-N 1 1 359.514 1.567 50 0 FDAAMO CC(=O)c1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1 ZINC000091526438 518335501 /nfs/dbraw/zinc/33/55/01/518335501.db2.gz CTXIMIVKKFQZIY-NHCUHLMSSA-N 1 1 359.514 1.567 50 0 FDAAMO NC(=O)N(Cc1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1 ZINC000005773516 518352656 /nfs/dbraw/zinc/35/26/56/518352656.db2.gz HLQJGJYHMBPYHT-QZTJIDSGSA-N 1 1 373.478 1.523 50 0 FDAAMO NC(=O)N(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000005773522 518353092 /nfs/dbraw/zinc/35/30/92/518353092.db2.gz HLQJGJYHMBPYHT-ROUUACIJSA-N 1 1 373.478 1.523 50 0 FDAAMO Cc1noc(C)c1CN(C)c1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299794009 534352700 /nfs/dbraw/zinc/35/27/00/534352700.db2.gz IWIJTAJYUROWMR-ZDUSSCGKSA-N 1 1 359.430 1.403 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCc2cccnc2)[C@H](O)C1 ZINC000299790600 534358316 /nfs/dbraw/zinc/35/83/16/534358316.db2.gz BNOOAGPZNPKYAS-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCc2cccnc2)[C@H](O)C1 ZINC000299790600 534358323 /nfs/dbraw/zinc/35/83/23/534358323.db2.gz BNOOAGPZNPKYAS-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](O)C1 ZINC000299771180 534358597 /nfs/dbraw/zinc/35/85/97/534358597.db2.gz WBQDBOCFOBVIHL-GDBMZVCRSA-N 1 1 362.430 1.768 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)on2)[C@H](O)C1 ZINC000299771180 534358605 /nfs/dbraw/zinc/35/86/05/534358605.db2.gz WBQDBOCFOBVIHL-GDBMZVCRSA-N 1 1 362.430 1.768 50 0 FDAAMO C/C=C/CN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(C/C=C/C)c3=O ZINC000010337152 518533560 /nfs/dbraw/zinc/53/35/60/518533560.db2.gz INEPTYIPHOUUMH-GWRANMPSSA-N 1 1 356.430 1.806 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000011841149 518575785 /nfs/dbraw/zinc/57/57/85/518575785.db2.gz PWLROQKKHDFMGU-SFHVURJKSA-N 1 1 359.518 1.828 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000011841149 518575792 /nfs/dbraw/zinc/57/57/92/518575792.db2.gz PWLROQKKHDFMGU-SFHVURJKSA-N 1 1 359.518 1.828 50 0 FDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)[NH+](C)C ZINC000011899006 518578221 /nfs/dbraw/zinc/57/82/21/518578221.db2.gz UXUAFXCHLZMXAC-MRXNPFEDSA-N 1 1 362.861 1.714 50 0 FDAAMO Cc1cc(C)n(CCCNC(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000011879881 518578396 /nfs/dbraw/zinc/57/83/96/518578396.db2.gz BTBMADQEPCSVNX-GOSISDBHSA-N 1 1 361.534 1.812 50 0 FDAAMO CCOC(=O)CCNC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccn2)C1 ZINC000012304774 518602104 /nfs/dbraw/zinc/60/21/04/518602104.db2.gz PFYGTDKSYQMGFQ-QGZVFWFLSA-N 1 1 362.474 1.683 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(CCCn3cccn3)CC2)C1 ZINC000012438555 518613485 /nfs/dbraw/zinc/61/34/85/518613485.db2.gz JXDQOLJBDJJDKI-QGZVFWFLSA-N 1 1 359.518 1.728 50 0 FDAAMO CCOC(=O)N1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000023003900 518927367 /nfs/dbraw/zinc/92/73/67/518927367.db2.gz XAYRWNMUUYMXIS-UHFFFAOYSA-N 1 1 362.430 1.177 50 0 FDAAMO CCOCCN1CCN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000023478705 518953419 /nfs/dbraw/zinc/95/34/19/518953419.db2.gz PZWUJAYWWIZXNK-UXHICEINSA-N 1 1 359.514 1.378 50 0 FDAAMO COC(=O)c1ccc2c(c1)[nH]c(=O)n(C[C@@H](c1ccco1)[NH+](C)C)c2=O ZINC000024939734 519025364 /nfs/dbraw/zinc/02/53/64/519025364.db2.gz IJDOAZJFHUEIHQ-AWEZNQCLSA-N 1 1 357.366 1.785 50 0 FDAAMO COc1cccc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)c1 ZINC000027347582 519170984 /nfs/dbraw/zinc/17/09/84/519170984.db2.gz DQEWEJBANMMOJT-UHFFFAOYSA-N 1 1 350.440 1.853 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cncc(Br)c2)C1 ZINC000028013594 519213171 /nfs/dbraw/zinc/21/31/71/519213171.db2.gz YONJGYGLNGXKAD-AWEZNQCLSA-N 1 1 356.264 1.931 50 0 FDAAMO CN(C)c1ccc(-c2noc(C(=O)NCCC[NH+]3CCN(C)CC3)n2)cc1 ZINC000031806927 519464901 /nfs/dbraw/zinc/46/49/01/519464901.db2.gz KNDAAYKSXVAOJT-UHFFFAOYSA-N 1 1 372.473 1.170 50 0 FDAAMO Cn1cc(Cl)cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032333857 519494304 /nfs/dbraw/zinc/49/43/04/519494304.db2.gz CEISKSXCBPFYOT-UHFFFAOYSA-N 1 1 362.865 1.411 50 0 FDAAMO CC(=O)c1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000032907371 519550095 /nfs/dbraw/zinc/55/00/95/519550095.db2.gz AGTBDSCPTJIPRI-SJLPKXTDSA-N 1 1 361.442 1.748 50 0 FDAAMO C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000032930002 519555048 /nfs/dbraw/zinc/55/50/48/519555048.db2.gz IVAJEGSPIARLBA-MRXNPFEDSA-N 1 1 364.449 1.901 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033061621 519568333 /nfs/dbraw/zinc/56/83/33/519568333.db2.gz HYAAVQIMNRFIIF-UHFFFAOYSA-N 1 1 373.482 1.887 50 0 FDAAMO CC(=O)N1CCN(C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000084715013 519580186 /nfs/dbraw/zinc/58/01/86/519580186.db2.gz DPQXAMLNYUGFKX-YESZJQIVSA-N 1 1 373.497 1.989 50 0 FDAAMO CC(=O)N1CCN(C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000084715013 519580191 /nfs/dbraw/zinc/58/01/91/519580191.db2.gz DPQXAMLNYUGFKX-YESZJQIVSA-N 1 1 373.497 1.989 50 0 FDAAMO C[NH+]1CCN(C(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000033359536 519587923 /nfs/dbraw/zinc/58/79/23/519587923.db2.gz KITRSDJFOVCTTN-UHFFFAOYSA-N 1 1 365.499 1.390 50 0 FDAAMO C[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NC3CCCCC3)co2)CC1 ZINC000034677264 519593303 /nfs/dbraw/zinc/59/33/03/519593303.db2.gz KWVSIWGSFGYLMQ-AWEZNQCLSA-N 1 1 350.463 1.236 50 0 FDAAMO O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCCC[NH+]1CCOCC1 ZINC000035592714 519609986 /nfs/dbraw/zinc/60/99/86/519609986.db2.gz TXYTXAVJAFRQIX-UHFFFAOYSA-N 1 1 373.409 1.451 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2)C[C@H](C)O1 ZINC000040087488 519639816 /nfs/dbraw/zinc/63/98/16/519639816.db2.gz UYSLXOYASBZHQK-OKILXGFUSA-N 1 1 356.426 1.721 50 0 FDAAMO CC(C)C[C@H](CNC(=O)c1cnn(C)c1-n1cccc1)[NH+]1CCOCC1 ZINC000040092286 519640501 /nfs/dbraw/zinc/64/05/01/519640501.db2.gz SNKCEKDITTWIDM-MRXNPFEDSA-N 1 1 359.474 1.688 50 0 FDAAMO CCCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082127546 519883370 /nfs/dbraw/zinc/88/33/70/519883370.db2.gz BUUKJDNMEYMJBZ-INIZCTEOSA-N 1 1 366.506 1.141 50 0 FDAAMO CCCCS(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000085534072 520928206 /nfs/dbraw/zinc/92/82/06/520928206.db2.gz DAHXKTSQBRBSKX-UHFFFAOYSA-N 1 1 353.492 1.329 50 0 FDAAMO CCCCc1nc(NCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc(C)[nH+]1 ZINC000091320853 521292225 /nfs/dbraw/zinc/29/22/25/521292225.db2.gz ZMXPOYAPNSEKKR-CQSZACIVSA-N 1 1 362.478 1.446 50 0 FDAAMO CCN1C(=O)CSc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc21 ZINC000020681082 521520719 /nfs/dbraw/zinc/52/07/19/521520719.db2.gz LCVGAVAUDDKZTO-UHFFFAOYSA-N 1 1 363.483 1.597 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@@H](C)O1 ZINC000042697331 521763225 /nfs/dbraw/zinc/76/32/25/521763225.db2.gz DTKYHDPAXXOXOH-HUUCEWRRSA-N 1 1 357.458 1.885 50 0 FDAAMO COCCc1noc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)n1 ZINC000091695085 522044630 /nfs/dbraw/zinc/04/46/30/522044630.db2.gz NNFKUOGDYAJWGU-DOTOQJQBSA-N 1 1 357.458 1.750 50 0 FDAAMO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH2+]C[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000072129621 522158800 /nfs/dbraw/zinc/15/88/00/522158800.db2.gz MEAKJEIGEQBPFR-KRWDZBQOSA-N 1 1 373.432 1.537 50 0 FDAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1cnn(C)c1)C2 ZINC000072129642 522159456 /nfs/dbraw/zinc/15/94/56/522159456.db2.gz FSHCDJJTSBTDGK-AQNXPRMDSA-N 1 1 362.518 1.760 50 0 FDAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000072129642 522159465 /nfs/dbraw/zinc/15/94/65/522159465.db2.gz FSHCDJJTSBTDGK-AQNXPRMDSA-N 1 1 362.518 1.760 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2cnn3cccnc23)[nH]1 ZINC000072145853 522169386 /nfs/dbraw/zinc/16/93/86/522169386.db2.gz XXPKAAOFMCULEV-GJZGRUSLSA-N 1 1 367.457 1.285 50 0 FDAAMO COCCN(Cc1cccs1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000072146277 522172380 /nfs/dbraw/zinc/17/23/80/522172380.db2.gz NJZFORWXMMRJPN-HNNXBMFYSA-N 1 1 353.488 1.322 50 0 FDAAMO COCCN(Cc1cccs1)C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000072146277 522172389 /nfs/dbraw/zinc/17/23/89/522172389.db2.gz NJZFORWXMMRJPN-HNNXBMFYSA-N 1 1 353.488 1.322 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072147870 522173127 /nfs/dbraw/zinc/17/31/27/522173127.db2.gz JKDXHVBONHYUDM-IPMKNSEASA-N 1 1 366.465 1.434 50 0 FDAAMO Cc1ncc(CC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072166316 522193616 /nfs/dbraw/zinc/19/36/16/522193616.db2.gz UYILDCJUTRSWHP-SFHVURJKSA-N 1 1 354.454 1.444 50 0 FDAAMO OCCC[N@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072167771 522193703 /nfs/dbraw/zinc/19/37/03/522193703.db2.gz BOZUUJCHVGXTCJ-GOSISDBHSA-N 1 1 361.486 1.380 50 0 FDAAMO CCn1c(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)nc2ccccc21 ZINC000072167129 522195255 /nfs/dbraw/zinc/19/52/55/522195255.db2.gz QGROLKDRENFDOQ-KRWDZBQOSA-N 1 1 371.485 1.314 50 0 FDAAMO CCn1c(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)nc2ccccc21 ZINC000072167129 522195258 /nfs/dbraw/zinc/19/52/58/522195258.db2.gz QGROLKDRENFDOQ-KRWDZBQOSA-N 1 1 371.485 1.314 50 0 FDAAMO O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072170442 522200262 /nfs/dbraw/zinc/20/02/62/522200262.db2.gz JXXPAEORGRPXMV-INIZCTEOSA-N 1 1 355.442 1.533 50 0 FDAAMO O=C(c1cc(-c2ccncc2)[nH]n1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072170442 522200268 /nfs/dbraw/zinc/20/02/68/522200268.db2.gz JXXPAEORGRPXMV-INIZCTEOSA-N 1 1 355.442 1.533 50 0 FDAAMO O=C(c1cc(-c2ccncc2)[nH]n1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072170442 522200280 /nfs/dbraw/zinc/20/02/80/522200280.db2.gz JXXPAEORGRPXMV-INIZCTEOSA-N 1 1 355.442 1.533 50 0 FDAAMO COCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072174163 522203524 /nfs/dbraw/zinc/20/35/24/522203524.db2.gz NVZVINBRAIWQRI-GOSISDBHSA-N 1 1 355.438 1.293 50 0 FDAAMO COCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072174163 522203535 /nfs/dbraw/zinc/20/35/35/522203535.db2.gz NVZVINBRAIWQRI-GOSISDBHSA-N 1 1 355.438 1.293 50 0 FDAAMO Cc1nc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000072407387 522237521 /nfs/dbraw/zinc/23/75/21/522237521.db2.gz GKTLUHBQMXKHRN-KRWDZBQOSA-N 1 1 373.501 1.423 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000072407387 522237531 /nfs/dbraw/zinc/23/75/31/522237531.db2.gz GKTLUHBQMXKHRN-KRWDZBQOSA-N 1 1 373.501 1.423 50 0 FDAAMO CC[N@H+](C)Cc1cc2n(n1)CCCN(C(=O)c1cnc3c(c1)nnn3C)C2 ZINC000072408561 522240176 /nfs/dbraw/zinc/24/01/76/522240176.db2.gz UXKCKHLADDXOMD-UHFFFAOYSA-N 1 1 368.445 1.058 50 0 FDAAMO CC[N@@H+](C)Cc1cc2n(n1)CCCN(C(=O)c1cnc3c(c1)nnn3C)C2 ZINC000072408561 522240189 /nfs/dbraw/zinc/24/01/89/522240189.db2.gz UXKCKHLADDXOMD-UHFFFAOYSA-N 1 1 368.445 1.058 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc(N2CCCC2)n1 ZINC000072409716 522241625 /nfs/dbraw/zinc/24/16/25/522241625.db2.gz FTHFSOUXEPYBCI-GOSISDBHSA-N 1 1 359.518 1.897 50 0 FDAAMO O=C([C@@H]1NCCc2nc[nH]c21)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072422969 522253106 /nfs/dbraw/zinc/25/31/06/522253106.db2.gz BNUKSSXXCXZNOG-GOSISDBHSA-N 1 1 357.433 1.470 50 0 FDAAMO O=C([C@@H]1NCCc2nc[nH]c21)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000072422969 522253112 /nfs/dbraw/zinc/25/31/12/522253112.db2.gz BNUKSSXXCXZNOG-GOSISDBHSA-N 1 1 357.433 1.470 50 0 FDAAMO COCC[N@@H+](C)[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H]1O ZINC000072426610 522260902 /nfs/dbraw/zinc/26/09/02/522260902.db2.gz VJMMUZVJNDOJBL-OALUTQOASA-N 1 1 359.470 1.641 50 0 FDAAMO Cn1c(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)C)[C@H](O)C2)nc2ccccc21 ZINC000072463379 522287758 /nfs/dbraw/zinc/28/77/58/522287758.db2.gz QFOZMNRMAPYXSD-WMLDXEAASA-N 1 1 358.486 1.918 50 0 FDAAMO Cn1c(C[N@H+]2CC[C@@H](CNC(=O)C(C)(C)C)[C@H](O)C2)nc2ccccc21 ZINC000072463379 522287766 /nfs/dbraw/zinc/28/77/66/522287766.db2.gz QFOZMNRMAPYXSD-WMLDXEAASA-N 1 1 358.486 1.918 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@](CO)(CCOC)C2)cc1 ZINC000091462188 522288152 /nfs/dbraw/zinc/28/81/52/522288152.db2.gz AZQJCUJMWDYHFF-KRWDZBQOSA-N 1 1 356.488 1.206 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072468778 522290502 /nfs/dbraw/zinc/29/05/02/522290502.db2.gz PEQVNNWZCQLQAP-MRXNPFEDSA-N 1 1 356.474 1.422 50 0 FDAAMO O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072472945 522293162 /nfs/dbraw/zinc/29/31/62/522293162.db2.gz YWOVDDILLXZLFL-GOSISDBHSA-N 1 1 367.453 1.539 50 0 FDAAMO Cc1ccccc1SCC(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000075572217 522935674 /nfs/dbraw/zinc/93/56/74/522935674.db2.gz SLDNRPLCISHCMF-HNNXBMFYSA-N 1 1 370.540 1.664 50 0 FDAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C)o1)CC2 ZINC000020912802 522955760 /nfs/dbraw/zinc/95/57/60/522955760.db2.gz ZVBDTBRUOGUKIQ-CQSZACIVSA-N 1 1 361.446 1.452 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(Cc2ncc[nH]2)CC1 ZINC000091434866 523207203 /nfs/dbraw/zinc/20/72/03/523207203.db2.gz NWAWEECVHQBWRX-UHFFFAOYSA-N 1 1 354.462 1.954 50 0 FDAAMO COC[C@@H](C)n1c(CCCC(=O)N2CC[NH+](C)CC2)nc2cccnc21 ZINC000077420516 523330897 /nfs/dbraw/zinc/33/08/97/523330897.db2.gz SWIBOAPFAKXRRF-OAHLLOKOSA-N 1 1 359.474 1.735 50 0 FDAAMO CC[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077439165 523336572 /nfs/dbraw/zinc/33/65/72/523336572.db2.gz BSUIAVWEOLJFQP-KRWDZBQOSA-N 1 1 374.466 1.504 50 0 FDAAMO CC(=O)NCC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077471381 523351932 /nfs/dbraw/zinc/35/19/32/523351932.db2.gz BICRORZQNDVDOZ-FQEVSTJZSA-N 1 1 358.486 1.465 50 0 FDAAMO CNC(=O)CC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077518728 523370430 /nfs/dbraw/zinc/37/04/30/523370430.db2.gz QREAZDHFZYZFCP-HXUWFJFHSA-N 1 1 358.486 1.465 50 0 FDAAMO CC[C@H]1[C@@H](C(=O)NCC[N@@H+](C)CCOC)CCN1C(=O)OC(C)(C)C ZINC000390832863 523420761 /nfs/dbraw/zinc/42/07/61/523420761.db2.gz HEWNMLWNUFACTH-GJZGRUSLSA-N 1 1 357.495 1.716 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091651599 523621371 /nfs/dbraw/zinc/62/13/71/523621371.db2.gz QKDWVCVUNTYJFX-ZIAGYGMSSA-N 1 1 358.841 1.738 50 0 FDAAMO O=c1c2c3c(sc2ncn1Cc1n[nH]c(-c2ccccc2)n1)C[NH2+]CC3 ZINC000082126791 524213950 /nfs/dbraw/zinc/21/39/50/524213950.db2.gz JKCKBVUPKYMVDH-UHFFFAOYSA-N 1 1 364.434 1.937 50 0 FDAAMO O=c1c2c3c(sc2ncn1Cc1nc(-c2ccccc2)n[nH]1)C[NH2+]CC3 ZINC000082126791 524213955 /nfs/dbraw/zinc/21/39/55/524213955.db2.gz JKCKBVUPKYMVDH-UHFFFAOYSA-N 1 1 364.434 1.937 50 0 FDAAMO O=S(=O)(CCCN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000172424121 524220827 /nfs/dbraw/zinc/22/08/27/524220827.db2.gz OJBBQWYLRVDAAV-UHFFFAOYSA-N 1 1 366.527 1.895 50 0 FDAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241338685 524304320 /nfs/dbraw/zinc/30/43/20/524304320.db2.gz MDALPEDVXQVOEX-QWRGUYRKSA-N 1 1 362.455 1.136 50 0 FDAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H]1c1cccs1 ZINC000241338685 524304326 /nfs/dbraw/zinc/30/43/26/524304326.db2.gz MDALPEDVXQVOEX-QWRGUYRKSA-N 1 1 362.455 1.136 50 0 FDAAMO CCS(=O)(=O)Nc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3C)C2)cc1 ZINC000091364744 524692955 /nfs/dbraw/zinc/69/29/55/524692955.db2.gz FMGYXNLTFDUMIS-CZUORRHYSA-N 1 1 351.472 1.614 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc3c(c1)OCCO3)C2 ZINC000091444714 524706170 /nfs/dbraw/zinc/70/61/70/524706170.db2.gz PFEKCNXOTAXAAK-DLBZAZTESA-N 1 1 359.470 1.442 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000091444714 524706180 /nfs/dbraw/zinc/70/61/80/524706180.db2.gz PFEKCNXOTAXAAK-DLBZAZTESA-N 1 1 359.470 1.442 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3c(c2)OCCO3)C1 ZINC000091444714 524706189 /nfs/dbraw/zinc/70/61/89/524706189.db2.gz PFEKCNXOTAXAAK-DLBZAZTESA-N 1 1 359.470 1.442 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)cn1 ZINC000091574128 524727871 /nfs/dbraw/zinc/72/78/71/524727871.db2.gz FXBRBTLEBOZFPN-FUHWJXTLSA-N 1 1 366.469 1.561 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)CCc3ccncc3)CC[N@H+]2C)CCC1=O ZINC000091593942 524737039 /nfs/dbraw/zinc/73/70/39/524737039.db2.gz SENWPZLYVZENPP-HXUWFJFHSA-N 1 1 358.486 1.559 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000091604813 524740151 /nfs/dbraw/zinc/74/01/51/524740151.db2.gz HWTIGRSEUSNRBW-UHFFFAOYSA-N 1 1 354.410 1.758 50 0 FDAAMO Cc1ccc(CNC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)cc1 ZINC000091649982 524750515 /nfs/dbraw/zinc/75/05/15/524750515.db2.gz PDTFJIPJAIVDKF-ZWKOTPCHSA-N 1 1 358.486 1.689 50 0 FDAAMO Cc1ccc(CNC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)cc1 ZINC000091649982 524750524 /nfs/dbraw/zinc/75/05/24/524750524.db2.gz PDTFJIPJAIVDKF-ZWKOTPCHSA-N 1 1 358.486 1.689 50 0 FDAAMO O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091725248 524766735 /nfs/dbraw/zinc/76/67/35/524766735.db2.gz IZRWIFLOPYMTBX-MAUKXSAKSA-N 1 1 366.469 1.153 50 0 FDAAMO COc1ccc([C@@H]2C[N@H+](Cc3cnc(N(C)C)nc3)C[C@H]2NC(C)=O)cc1 ZINC000091746279 524773727 /nfs/dbraw/zinc/77/37/27/524773727.db2.gz WPUDFXFDPYEIQK-RBUKOAKNSA-N 1 1 369.469 1.655 50 0 FDAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cnc(N(C)C)nc3)C[C@H]2NC(C)=O)cc1 ZINC000091746279 524773734 /nfs/dbraw/zinc/77/37/34/524773734.db2.gz WPUDFXFDPYEIQK-RBUKOAKNSA-N 1 1 369.469 1.655 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](CCCSC)CC2 ZINC000091793458 524782879 /nfs/dbraw/zinc/78/28/79/524782879.db2.gz MHGROJJPKMRPCQ-UHFFFAOYSA-N 1 1 352.504 1.485 50 0 FDAAMO Cc1ccnn1CC(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091859006 524800774 /nfs/dbraw/zinc/80/07/74/524800774.db2.gz BQKXAWKDPSQLER-KRWDZBQOSA-N 1 1 373.501 1.127 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1CO ZINC000091876598 524806379 /nfs/dbraw/zinc/80/63/79/524806379.db2.gz SREYMJQATBDIDX-CHWSQXEVSA-N 1 1 358.841 1.474 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCCn1cncn1)CC2 ZINC000091876865 524806424 /nfs/dbraw/zinc/80/64/24/524806424.db2.gz BTYZJNVUWAHCSC-UHFFFAOYSA-N 1 1 357.462 1.177 50 0 FDAAMO COc1cccc(-c2cc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)[nH]n2)c1 ZINC000091906790 524809855 /nfs/dbraw/zinc/80/98/55/524809855.db2.gz LPDRODDGBAACRW-HNNXBMFYSA-N 1 1 358.442 1.662 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000091914928 524810765 /nfs/dbraw/zinc/81/07/65/524810765.db2.gz VPWDKZUAAJKCAC-MRXNPFEDSA-N 1 1 359.445 1.871 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000091914928 524810775 /nfs/dbraw/zinc/81/07/75/524810775.db2.gz VPWDKZUAAJKCAC-MRXNPFEDSA-N 1 1 359.445 1.871 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1NC(C)=O ZINC000091914967 524810962 /nfs/dbraw/zinc/81/09/62/524810962.db2.gz RRMBXSUYJGXBJT-RDJZCZTQSA-N 1 1 353.488 1.331 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)C1=O ZINC000091915506 524812587 /nfs/dbraw/zinc/81/25/87/524812587.db2.gz FFIOXTOHIHOBNZ-FQEVSTJZSA-N 1 1 370.453 1.155 50 0 FDAAMO CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)C1CCCCC1 ZINC000091943226 524816452 /nfs/dbraw/zinc/81/64/52/524816452.db2.gz SVPVLVWREJECSX-LJQANCHMSA-N 1 1 351.491 1.084 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc3c(cc1OC)OCO3)C2 ZINC000091974097 524823881 /nfs/dbraw/zinc/82/38/81/524823881.db2.gz OXJDFORTHPACIB-DZGCQCFKSA-N 1 1 362.426 1.493 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc3c(cc1OC)OCO3)C2 ZINC000091974097 524823885 /nfs/dbraw/zinc/82/38/85/524823885.db2.gz OXJDFORTHPACIB-DZGCQCFKSA-N 1 1 362.426 1.493 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000092037109 524833533 /nfs/dbraw/zinc/83/35/33/524833533.db2.gz FVOXHWDGBPOVKY-DOTOQJQBSA-N 1 1 364.515 1.288 50 0 FDAAMO Cc1c(C[NH+]2CCC3(CCC(=O)N(CCc4cnc[nH]4)C3)CC2)cnn1C ZINC000092045444 524833584 /nfs/dbraw/zinc/83/35/84/524833584.db2.gz KRHIYKVRCREXBE-UHFFFAOYSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1ccn(CCN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000092066214 524839504 /nfs/dbraw/zinc/83/95/04/524839504.db2.gz XUACJWMXJXNJPP-FQEVSTJZSA-N 1 1 359.518 1.600 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H](C)O1 ZINC000248234838 524890790 /nfs/dbraw/zinc/89/07/90/524890790.db2.gz MEAGNOFTLUXICF-MOROJQBDSA-N 1 1 369.531 1.444 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H](C)O1 ZINC000248234838 524890802 /nfs/dbraw/zinc/89/08/02/524890802.db2.gz MEAGNOFTLUXICF-MOROJQBDSA-N 1 1 369.531 1.444 50 0 FDAAMO CC[NH+]1CCN(C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2CO)CC1 ZINC000095359705 525034779 /nfs/dbraw/zinc/03/47/79/525034779.db2.gz UPLYDBVXYBAKPR-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO Cn1cnnc1SCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095360396 525035314 /nfs/dbraw/zinc/03/53/14/525035314.db2.gz WYPPZHLSAWBZFB-DZGCQCFKSA-N 1 1 365.503 1.009 50 0 FDAAMO O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095363522 525039398 /nfs/dbraw/zinc/03/93/98/525039398.db2.gz LAKMZPGXGRDAEZ-MRXNPFEDSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1nnc(-c2ccccc2)[nH]1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095363522 525039364 /nfs/dbraw/zinc/03/93/64/525039364.db2.gz LAKMZPGXGRDAEZ-MRXNPFEDSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095363522 525039376 /nfs/dbraw/zinc/03/93/76/525039376.db2.gz LAKMZPGXGRDAEZ-MRXNPFEDSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095363522 525039379 /nfs/dbraw/zinc/03/93/79/525039379.db2.gz LAKMZPGXGRDAEZ-MRXNPFEDSA-N 1 1 369.469 1.979 50 0 FDAAMO O=C(NCc1n[nH]c(-c2ccccc2)n1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095363522 525039392 /nfs/dbraw/zinc/03/93/92/525039392.db2.gz LAKMZPGXGRDAEZ-MRXNPFEDSA-N 1 1 369.469 1.979 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCN(Cc3nccn3C)CC2)[NH+](C)C)c1 ZINC000095368020 525041160 /nfs/dbraw/zinc/04/11/60/525041160.db2.gz KPROPWWBMBTXFP-IBGZPJMESA-N 1 1 355.486 1.676 50 0 FDAAMO O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095382136 525055171 /nfs/dbraw/zinc/05/51/71/525055171.db2.gz UIDBHCFDMOPVFB-ZDUSSCGKSA-N 1 1 372.429 1.034 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000095387373 525060029 /nfs/dbraw/zinc/06/00/29/525060029.db2.gz ACVFCMDCXCVNHG-GOSISDBHSA-N 1 1 351.454 1.572 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000095387373 525060041 /nfs/dbraw/zinc/06/00/41/525060041.db2.gz ACVFCMDCXCVNHG-GOSISDBHSA-N 1 1 351.454 1.572 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)no1 ZINC000095388877 525063569 /nfs/dbraw/zinc/06/35/69/525063569.db2.gz KPWZJALKAQDEEZ-KRWDZBQOSA-N 1 1 361.421 1.464 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000095449877 525070098 /nfs/dbraw/zinc/07/00/98/525070098.db2.gz JBAAVTAVWKTNMZ-MJGOQNOKSA-N 1 1 374.529 1.982 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000095449877 525070111 /nfs/dbraw/zinc/07/01/11/525070111.db2.gz JBAAVTAVWKTNMZ-MJGOQNOKSA-N 1 1 374.529 1.982 50 0 FDAAMO CC1=CC[N@H+](Cc2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)CC1 ZINC000095498675 525080056 /nfs/dbraw/zinc/08/00/56/525080056.db2.gz AUWKXKFHVUMMIS-HXUWFJFHSA-N 1 1 359.514 1.826 50 0 FDAAMO CC1=CC[N@@H+](Cc2ccc(OC[C@H](O)CN3CCN(C)CC3)cc2)CC1 ZINC000095498675 525080066 /nfs/dbraw/zinc/08/00/66/525080066.db2.gz AUWKXKFHVUMMIS-HXUWFJFHSA-N 1 1 359.514 1.826 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N(CC(=O)[O-])C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095498032 525081035 /nfs/dbraw/zinc/08/10/35/525081035.db2.gz HFJUUACAOZCVGS-QGZVFWFLSA-N 1 1 351.422 1.436 50 0 FDAAMO CCOC(=O)Cc1ccc(NC(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)cc1 ZINC000095526140 525102552 /nfs/dbraw/zinc/10/25/52/525102552.db2.gz AUZVKKYDNNARGM-IRXDYDNUSA-N 1 1 360.458 1.302 50 0 FDAAMO CCOC(=O)Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)cc1 ZINC000095526140 525102562 /nfs/dbraw/zinc/10/25/62/525102562.db2.gz AUZVKKYDNNARGM-IRXDYDNUSA-N 1 1 360.458 1.302 50 0 FDAAMO CCOC(=O)Cc1ccc(NC(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)cc1 ZINC000095526140 525102568 /nfs/dbraw/zinc/10/25/68/525102568.db2.gz AUZVKKYDNNARGM-IRXDYDNUSA-N 1 1 360.458 1.302 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCO)C[N@@H+]1Cc1ccc(C)s1 ZINC000095530558 525107316 /nfs/dbraw/zinc/10/73/16/525107316.db2.gz VHTIMTRRWUYXSO-ZBFHGGJFSA-N 1 1 367.515 1.366 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCO)C[N@H+]1Cc1ccc(C)s1 ZINC000095530558 525107322 /nfs/dbraw/zinc/10/73/22/525107322.db2.gz VHTIMTRRWUYXSO-ZBFHGGJFSA-N 1 1 367.515 1.366 50 0 FDAAMO CCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000170598516 525638426 /nfs/dbraw/zinc/63/84/26/525638426.db2.gz GLDSXSMVVWMRMG-IXDOHACOSA-N 1 1 353.507 1.735 50 0 FDAAMO CCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@@H]2C)CC[N@H+]1CCOC ZINC000170598516 525638435 /nfs/dbraw/zinc/63/84/35/525638435.db2.gz GLDSXSMVVWMRMG-IXDOHACOSA-N 1 1 353.507 1.735 50 0 FDAAMO COc1cccc(CO[C@H](C)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000170605641 525640614 /nfs/dbraw/zinc/64/06/14/525640614.db2.gz JJZSFMWOGRFWCI-HZPDHXFCSA-N 1 1 350.459 1.515 50 0 FDAAMO Cn1cc(CC[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cn1 ZINC000170637196 525652587 /nfs/dbraw/zinc/65/25/87/525652587.db2.gz CSTOQRCTBOFNGP-UHFFFAOYSA-N 1 1 358.471 1.892 50 0 FDAAMO Cc1c(C[N@@H+]2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)cnn1C ZINC000091475864 525704063 /nfs/dbraw/zinc/70/40/63/525704063.db2.gz XTIGAVNMAAVDNR-UHFFFAOYSA-N 1 1 370.501 1.886 50 0 FDAAMO Cc1c(C[N@H+]2CCCn3nc(CCC(=O)N4CCCC4)cc3C2)cnn1C ZINC000091475864 525704068 /nfs/dbraw/zinc/70/40/68/525704068.db2.gz XTIGAVNMAAVDNR-UHFFFAOYSA-N 1 1 370.501 1.886 50 0 FDAAMO C[C@H](C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)CS(C)(=O)=O ZINC000119316816 525705877 /nfs/dbraw/zinc/70/58/77/525705877.db2.gz FCKLIOOIZULLEH-MRXNPFEDSA-N 1 1 353.532 1.701 50 0 FDAAMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000085436915 525766747 /nfs/dbraw/zinc/76/67/47/525766747.db2.gz DXLPZWYNHCSUPH-SFHVURJKSA-N 1 1 359.514 1.466 50 0 FDAAMO Cc1nc(C)c(CNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000299783269 534882680 /nfs/dbraw/zinc/88/26/80/534882680.db2.gz ZQOGVNDVTUFJHQ-CQSZACIVSA-N 1 1 371.528 1.275 50 0 FDAAMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000108163325 525935660 /nfs/dbraw/zinc/93/56/60/525935660.db2.gz VTPBZGLNDAUDQL-STQMWFEESA-N 1 1 365.865 1.584 50 0 FDAAMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000242140854 526697321 /nfs/dbraw/zinc/69/73/21/526697321.db2.gz WPWAVRMRLUWJGT-LSDHHAIUSA-N 1 1 363.424 1.726 50 0 FDAAMO O=C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCN(CC(F)(F)F)C1)N1CCCC1 ZINC000242140854 526697324 /nfs/dbraw/zinc/69/73/24/526697324.db2.gz WPWAVRMRLUWJGT-LSDHHAIUSA-N 1 1 363.424 1.726 50 0 FDAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1nccs1 ZINC000079494853 526837076 /nfs/dbraw/zinc/83/70/76/526837076.db2.gz MKZDUGXPJCTVBB-UHFFFAOYSA-N 1 1 359.455 1.609 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000299790133 526973039 /nfs/dbraw/zinc/97/30/39/526973039.db2.gz MCDAWYXYDIURSA-MRXNPFEDSA-N 1 1 355.442 1.864 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000299790133 526973045 /nfs/dbraw/zinc/97/30/45/526973045.db2.gz MCDAWYXYDIURSA-MRXNPFEDSA-N 1 1 355.442 1.864 50 0 FDAAMO C/C=C(\C)C[N@@H+]1CCc2c(C(=O)N3CCCC3)c(OC)cc(=O)n2CC1 ZINC000299788491 527566629 /nfs/dbraw/zinc/56/66/29/527566629.db2.gz UBXVHDUIXXVPAG-SYZQJQIISA-N 1 1 359.470 1.917 50 0 FDAAMO C/C=C(\C)C[N@H+]1CCc2c(C(=O)N3CCCC3)c(OC)cc(=O)n2CC1 ZINC000299788491 527566633 /nfs/dbraw/zinc/56/66/33/527566633.db2.gz UBXVHDUIXXVPAG-SYZQJQIISA-N 1 1 359.470 1.917 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000077419052 535220782 /nfs/dbraw/zinc/22/07/82/535220782.db2.gz QJHXLYDALJXVEI-MRXNPFEDSA-N 1 1 366.893 1.883 50 0 FDAAMO C[N@H+]1CCC[C@H]1CN1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1 ZINC000252487814 536389790 /nfs/dbraw/zinc/38/97/90/536389790.db2.gz IBVWKEVIXIEKEU-KRWDZBQOSA-N 1 1 353.470 1.653 50 0 FDAAMO COc1ccc(/C=C/C[NH+]2CCN(c3ccnc4nncn43)CC2)cc1 ZINC000097475411 536596271 /nfs/dbraw/zinc/59/62/71/536596271.db2.gz YGNNUDFGBZJDSF-NSCUHMNNSA-N 1 1 350.426 1.968 50 0 FDAAMO COc1cc2[nH+]c(N3CCC4(CC3)OCCC[C@@H]4O)nc(N)c2cc1OC ZINC000095355474 536895352 /nfs/dbraw/zinc/89/53/52/536895352.db2.gz ASSFULAUGYFMIT-INIZCTEOSA-N 1 1 374.441 1.740 50 0 FDAAMO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192103399 537220314 /nfs/dbraw/zinc/22/03/14/537220314.db2.gz DSNUUAQPEPMXQV-QGZVFWFLSA-N 1 1 365.499 1.686 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2ccc3c(c2)ncn(C)c3=O)CC1 ZINC000215760883 537440854 /nfs/dbraw/zinc/44/08/54/537440854.db2.gz MLXYFAYSUCIHHE-UHFFFAOYSA-N 1 1 351.410 1.649 50 0 FDAAMO COc1cc(C[N@H+]2CCCN(c3ncccn3)CC2)ccc1OCC(N)=O ZINC000216056843 537444015 /nfs/dbraw/zinc/44/40/15/537444015.db2.gz KROGXQFBZIURNN-UHFFFAOYSA-N 1 1 371.441 1.062 50 0 FDAAMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)C1 ZINC000216118889 537447014 /nfs/dbraw/zinc/44/70/14/537447014.db2.gz MQXGMFJNMGBVNC-FQEVSTJZSA-N 1 1 362.470 1.661 50 0 FDAAMO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2COCC[C@H]2OCc2ccccn2)o1 ZINC000218959802 537469843 /nfs/dbraw/zinc/46/98/43/537469843.db2.gz DAOFNMZJNBLKCG-IAGOWNOFSA-N 1 1 359.426 1.840 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000219093402 537470475 /nfs/dbraw/zinc/47/04/75/537470475.db2.gz DXADPHVZXIAJPQ-LJQANCHMSA-N 1 1 366.465 1.746 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000219093402 537470486 /nfs/dbraw/zinc/47/04/86/537470486.db2.gz DXADPHVZXIAJPQ-LJQANCHMSA-N 1 1 366.465 1.746 50 0 FDAAMO O=C(Cc1ccc(O)c(Cl)c1)N1CC[N@@H+](CC2CC2)[C@H](CCO)C1 ZINC000219489578 537475052 /nfs/dbraw/zinc/47/50/52/537475052.db2.gz ZQJLNOIWPBYCLK-OAHLLOKOSA-N 1 1 352.862 1.893 50 0 FDAAMO CN1CCN(Cc2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000219774735 537479637 /nfs/dbraw/zinc/47/96/37/537479637.db2.gz VNUKMBOLEABURJ-HXUWFJFHSA-N 1 1 358.530 1.990 50 0 FDAAMO C[N@H+](CCC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000221257882 537498551 /nfs/dbraw/zinc/49/85/51/537498551.db2.gz TWCNAEHPKJLYIV-AWEZNQCLSA-N 1 1 370.902 1.734 50 0 FDAAMO C[N@@H+](CCC(=O)N1CCc2c(Cl)cccc2C1)[C@H]1CCS(=O)(=O)C1 ZINC000221257882 537498555 /nfs/dbraw/zinc/49/85/55/537498555.db2.gz TWCNAEHPKJLYIV-AWEZNQCLSA-N 1 1 370.902 1.734 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)CNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000223773625 537533959 /nfs/dbraw/zinc/53/39/59/537533959.db2.gz AUYOZWHTMOKFGD-UHFFFAOYSA-N 1 1 368.434 1.124 50 0 FDAAMO C[C@@H](CNc1ncnn2c(Br)ccc12)[NH+]1CCN(C)CC1 ZINC000240407423 537645382 /nfs/dbraw/zinc/64/53/82/537645382.db2.gz FMCQERRHCNPGGO-NSHDSACASA-N 1 1 353.268 1.540 50 0 FDAAMO CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CCOCC1 ZINC000240225430 537645497 /nfs/dbraw/zinc/64/54/97/537645497.db2.gz DHTATQQFEKFZSJ-PKOBYXMFSA-N 1 1 369.550 1.741 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3nc4ccccn4c3F)C2)[nH+]c(N)n1 ZINC000244601861 537647892 /nfs/dbraw/zinc/64/78/92/537647892.db2.gz DTBVNAQZSHXOGV-AOOOYVTPSA-N 1 1 355.377 1.563 50 0 FDAAMO COc1cccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)c1 ZINC000244659634 537649138 /nfs/dbraw/zinc/64/91/38/537649138.db2.gz HGFRWXIURPLIPZ-WOJBJXKFSA-N 1 1 369.465 1.774 50 0 FDAAMO COc1cccc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)c1 ZINC000244659634 537649142 /nfs/dbraw/zinc/64/91/42/537649142.db2.gz HGFRWXIURPLIPZ-WOJBJXKFSA-N 1 1 369.465 1.774 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCC(c2ncon2)CC1)c1ccc2c(c1)OCO2 ZINC000244723498 537651609 /nfs/dbraw/zinc/65/16/09/537651609.db2.gz MCTBTOACVNLZRL-MRXNPFEDSA-N 1 1 358.398 1.807 50 0 FDAAMO Cn1c2ccccc2cc(C[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)c1=O ZINC000244873074 537654208 /nfs/dbraw/zinc/65/42/08/537654208.db2.gz WJPMUHWRKDXNLA-UHFFFAOYSA-N 1 1 350.422 1.825 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)CCCOCc1ccccc1)CC2 ZINC000426674226 538121530 /nfs/dbraw/zinc/12/15/30/538121530.db2.gz MVMXONIWKVBZNQ-UHFFFAOYSA-N 1 1 373.497 1.796 50 0 FDAAMO CN(Cc1cccc(-n2cccn2)c1)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000426643057 538425890 /nfs/dbraw/zinc/42/58/90/538425890.db2.gz VEIBEZPGBXBROE-LJQANCHMSA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1cccc(-n2cccn2)c1)C(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000426643057 538425893 /nfs/dbraw/zinc/42/58/93/538425893.db2.gz VEIBEZPGBXBROE-LJQANCHMSA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1cccc(-n2cccn2)c1)C(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000426643057 538425896 /nfs/dbraw/zinc/42/58/96/538425896.db2.gz VEIBEZPGBXBROE-LJQANCHMSA-N 1 1 355.486 1.857 50 0 FDAAMO COc1ccc(CNC(=O)NCc2cn(-c3cc[nH+]cc3)nn2)cc1OC ZINC000575616812 550467004 /nfs/dbraw/zinc/46/70/04/550467004.db2.gz NBCGHVXMXBCGIY-UHFFFAOYSA-N 1 1 368.397 1.679 50 0 FDAAMO CN(C(=O)NCc1noc(-c2c(F)cccc2F)n1)[C@@H]1CC[N@@H+](C)C1 ZINC000584889152 551565577 /nfs/dbraw/zinc/56/55/77/551565577.db2.gz JOABNOKYIKVXJP-SNVBAGLBSA-N 1 1 351.357 1.860 50 0 FDAAMO CN1CCN(CC2(CNC(=O)c3cccc([C@@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC000215063514 568047933 /nfs/dbraw/zinc/04/79/33/568047933.db2.gz QCDHUBWISYYNMH-HXUWFJFHSA-N 1 1 370.541 1.911 50 0 FDAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)n1 ZINC000426488355 570608765 /nfs/dbraw/zinc/60/87/65/570608765.db2.gz NTOFGXIQPJKXKK-QGZVFWFLSA-N 1 1 356.474 1.645 50 0 FDAAMO O=C(Nc1cnccn1)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048290872 570941708 /nfs/dbraw/zinc/94/17/08/570941708.db2.gz MHMOZPVGEAXYJW-UHFFFAOYSA-N 1 1 370.438 1.397 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000670472898 571054466 /nfs/dbraw/zinc/05/44/66/571054466.db2.gz IZXYNWFCTVRSJZ-HNNXBMFYSA-N 1 1 370.515 1.801 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000670472898 571054468 /nfs/dbraw/zinc/05/44/68/571054468.db2.gz IZXYNWFCTVRSJZ-HNNXBMFYSA-N 1 1 370.515 1.801 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1cc(-c3ccncc3)no1)CC2 ZINC000244794756 571117030 /nfs/dbraw/zinc/11/70/30/571117030.db2.gz QSYCWZOPFRWYNC-UHFFFAOYSA-N 1 1 355.442 1.523 50 0 FDAAMO CN1CCCNC(=O)C12CC[NH+](Cc1cc(-c3ccncc3)no1)CC2 ZINC000244794756 571117033 /nfs/dbraw/zinc/11/70/33/571117033.db2.gz QSYCWZOPFRWYNC-UHFFFAOYSA-N 1 1 355.442 1.523 50 0 FDAAMO Cc1[nH+]c(N)nc(N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)c1Cl ZINC000244795049 571117071 /nfs/dbraw/zinc/11/70/71/571117071.db2.gz QYQKBJXFHGLFJR-PHIMTYICSA-N 1 1 373.852 1.752 50 0 FDAAMO CCC1(CC)CN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CCO1 ZINC000426503545 571131012 /nfs/dbraw/zinc/13/10/12/571131012.db2.gz QAGDVDQONNNVFS-CQSZACIVSA-N 1 1 350.463 1.780 50 0 FDAAMO OCCNc1nc(N(Cc2ccncc2)C2CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426658232 571132772 /nfs/dbraw/zinc/13/27/72/571132772.db2.gz MMFZVLDHIUPBCO-HNNXBMFYSA-N 1 1 355.442 1.949 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@@H](c2cc(=O)[nH]c(N(C)C)n2)C1 ZINC000253535701 571137355 /nfs/dbraw/zinc/13/73/55/571137355.db2.gz MQCKBPAKQXAEHD-OKILXGFUSA-N 1 1 358.446 1.596 50 0 FDAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000253536316 571137755 /nfs/dbraw/zinc/13/77/55/571137755.db2.gz MQNHOEUQBIWWPI-LBPRGKRZSA-N 1 1 351.410 1.892 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000426475598 571138177 /nfs/dbraw/zinc/13/81/77/571138177.db2.gz XYQTWUBEDFEXEM-INIZCTEOSA-N 1 1 370.505 1.553 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000426523722 571229972 /nfs/dbraw/zinc/22/99/72/571229972.db2.gz TXCUCMGSYZVRPG-HNNXBMFYSA-N 1 1 367.457 1.959 50 0 FDAAMO CC(=O)N(C)c1cccc(NC(=O)NCC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000426691305 571235432 /nfs/dbraw/zinc/23/54/32/571235432.db2.gz PGQYFQCWFHEHRY-OAHLLOKOSA-N 1 1 361.490 1.817 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000252527775 571282572 /nfs/dbraw/zinc/28/25/72/571282572.db2.gz DIQALNZFBXPRON-LBPRGKRZSA-N 1 1 364.412 1.569 50 0 FDAAMO COCCCn1c(-c2ccccn2)nnc1N1CC[NH+](CCOC)CC1 ZINC000253397763 571311993 /nfs/dbraw/zinc/31/19/93/571311993.db2.gz GNHRBOIRHLZXTM-UHFFFAOYSA-N 1 1 360.462 1.145 50 0 FDAAMO O[C@H](COc1ccccc1)C[NH+]1CCN(Cc2cccc3nonc32)CC1 ZINC000253425529 571313119 /nfs/dbraw/zinc/31/31/19/571313119.db2.gz UQCMHQDJZLZZGR-KRWDZBQOSA-N 1 1 368.437 1.780 50 0 FDAAMO O[C@H](COc1ccccc1)CN1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000253425529 571313120 /nfs/dbraw/zinc/31/31/20/571313120.db2.gz UQCMHQDJZLZZGR-KRWDZBQOSA-N 1 1 368.437 1.780 50 0 FDAAMO CC[NH+]1CCN(C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)CC1 ZINC000019839278 670668678 /nfs/dbraw/zinc/66/86/78/670668678.db2.gz HJEBGIPVMLRWGC-HXUWFJFHSA-N 1 1 351.535 1.948 50 0 FDAAMO O[C@@H]1CN(Cc2cc(C[NH+]3CCCC3)cs2)CC[C@H]1N1CCOCC1 ZINC000020451714 670669708 /nfs/dbraw/zinc/66/97/08/670669708.db2.gz SEUTZMPFTSFLCF-RTBURBONSA-N 1 1 365.543 1.611 50 0 FDAAMO Cn1ncc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)s3)CC2)cc1=O ZINC000067788061 671357484 /nfs/dbraw/zinc/35/74/84/671357484.db2.gz KQHPAKZJPDKUEB-UHFFFAOYSA-N 1 1 356.455 1.554 50 0 FDAAMO CNC(=O)N1CCC2(CC1)C[C@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000169788336 672042047 /nfs/dbraw/zinc/04/20/47/672042047.db2.gz AOCHYDODKPLLON-QGZVFWFLSA-N 1 1 352.523 1.613 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CC[C@@H](c3[nH+]cc(C)n3CCOC)C2)cn1 ZINC000169791946 672042730 /nfs/dbraw/zinc/04/27/30/672042730.db2.gz AHFCLQPHIYQNDQ-CQSZACIVSA-N 1 1 367.475 1.233 50 0 FDAAMO C[C@H](NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1c(F)cncc1F ZINC000288787414 676054505 /nfs/dbraw/zinc/05/45/05/676054505.db2.gz YXZSFKQIRZHWJE-SLEUVZQESA-N 1 1 354.401 1.783 50 0 FDAAMO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1c(F)cncc1F ZINC000288787408 676054547 /nfs/dbraw/zinc/05/45/47/676054547.db2.gz YXZSFKQIRZHWJE-HUBLWGQQSA-N 1 1 354.401 1.783 50 0 FDAAMO CCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O ZINC000091665860 775874789 /nfs/dbraw/zinc/87/47/89/775874789.db2.gz RLIWIWOFHGUPIH-FQEVSTJZSA-N 1 1 370.453 1.625 50 0 FDAAMO O[C@H]1CN(Cc2cc(F)cc(F)c2)C[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000022892211 781860481 /nfs/dbraw/zinc/86/04/81/781860481.db2.gz KGUDJFFRJGRQRE-OALUTQOASA-N 1 1 374.435 1.727 50 0 FDAAMO CC(C)C(=O)N1CC[C@H](c2nnc3n2CC[N@H+](Cc2cccnc2)CC3)C1 ZINC000257188745 793996907 /nfs/dbraw/zinc/99/69/07/793996907.db2.gz NAOUNDCJSOMKBN-KRWDZBQOSA-N 1 1 368.485 1.703 50 0 FDAAMO COc1cccc(CN2CCC3(C[C@H](C(=O)N4CCCC4)[N@H+](C)C3)CC2)n1 ZINC000675010950 795211595 /nfs/dbraw/zinc/21/15/95/795211595.db2.gz OAJPKGJLRARSMS-GOSISDBHSA-N 1 1 372.513 1.999 50 0 FDAAMO COc1cccc(CN2CCC3(C[C@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)n1 ZINC000675010950 795211596 /nfs/dbraw/zinc/21/15/96/795211596.db2.gz OAJPKGJLRARSMS-GOSISDBHSA-N 1 1 372.513 1.999 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCCC1)CCN(C(=O)c1cscn1)CC2 ZINC000675011972 795213468 /nfs/dbraw/zinc/21/34/68/795213468.db2.gz XFTKZCVSCVTMAW-OAHLLOKOSA-N 1 1 362.499 1.692 50 0 FDAAMO C[N@H+]1C[C@H]2CN(C(=O)NCCc3ccccc3)C[C@@]2(C(=O)N2CCCC2)C1 ZINC000675021575 795246769 /nfs/dbraw/zinc/24/67/69/795246769.db2.gz QVSXJMWVZZNUSR-RXVVDRJESA-N 1 1 370.497 1.425 50 0 FDAAMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)on1 ZINC000426580755 810728536 /nfs/dbraw/zinc/72/85/36/810728536.db2.gz LCDBJUDLLKNBSC-OAHLLOKOSA-N 1 1 374.489 1.448 50 0 FDAAMO O=C(c1cccnc1O[C@H]1CC[N@@H+](Cc2ccccn2)C1)N1CCOCC1 ZINC000169751902 864484221 /nfs/dbraw/zinc/48/42/21/864484221.db2.gz DWWYNLYIWCXBHB-KRWDZBQOSA-N 1 1 368.437 1.602 50 0 FDAAMO CCn1ncc(N2CCC[C@@H](CC(=O)N3CCC[N@@H+](C)CC3)C2)cc1=O ZINC000169765421 864497476 /nfs/dbraw/zinc/49/74/76/864497476.db2.gz GMZAFNRYTKRECI-INIZCTEOSA-N 1 1 361.490 1.034 50 0 FDAAMO CCOC(=O)N1CCN(C(=O)c2cc(Cn3cc[nH+]c3C(C)C)n[nH]2)CC1 ZINC000011933101 872634644 /nfs/dbraw/zinc/63/46/44/872634644.db2.gz CIRLMRBRDGDOOO-UHFFFAOYSA-N 1 1 374.445 1.692 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCc1c[nH]c2ccccc12 ZINC000012751374 877513265 /nfs/dbraw/zinc/51/32/65/877513265.db2.gz PVZPSPLDRULPLD-LJQANCHMSA-N 1 1 368.481 1.960 50 0 FDAAMO C[C@H](C(=O)N1CCOC2(CC[NH+](Cc3c[nH]cn3)CC2)C1)n1cccc1 ZINC000827654162 924681179 /nfs/dbraw/zinc/68/11/79/924681179.db2.gz DYQUDSGWIQBBKY-MRXNPFEDSA-N 1 1 357.458 1.666 50 0 FDAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 ZINC000827860795 924774532 /nfs/dbraw/zinc/77/45/32/924774532.db2.gz HUPOGZOELLNCQJ-MRXNPFEDSA-N 1 1 370.453 1.171 50 0 FDAAMO Cc1ccn(CC(=O)N2CCC3(CC2)C[N@H+]([C@H]2CCSC2)CCO3)n1 ZINC000827921100 924776321 /nfs/dbraw/zinc/77/63/21/924776321.db2.gz JDMYMSPUVHMUNW-INIZCTEOSA-N 1 1 364.515 1.390 50 0 FDAAMO Cc1noc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cnc(C)cn2)CC3)n1 ZINC000581802658 927588616 /nfs/dbraw/zinc/58/86/16/927588616.db2.gz MFLLQRCLJCQPQX-OAHLLOKOSA-N 1 1 356.430 1.776 50 0 FDAAMO Cc1noc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cnc(C)cn2)CC3)n1 ZINC000581802658 927588629 /nfs/dbraw/zinc/58/86/29/927588629.db2.gz MFLLQRCLJCQPQX-OAHLLOKOSA-N 1 1 356.430 1.776 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ccncc2)CC3)C1 ZINC000219562656 943908068 /nfs/dbraw/zinc/90/80/68/943908068.db2.gz ULGWZAHEFISKDN-QGZVFWFLSA-N 1 1 356.470 1.631 50 0 FDAAMO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000585088570 944019021 /nfs/dbraw/zinc/01/90/21/944019021.db2.gz XSLYBVILJZWVCJ-GFCCVEGCSA-N 1 1 355.776 1.908 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000952854093 960170497 /nfs/dbraw/zinc/17/04/97/960170497.db2.gz PFQSLVDCTXTQOH-LBPRGKRZSA-N 1 1 351.834 1.127 50 0 FDAAMO CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1F ZINC000952869757 960213509 /nfs/dbraw/zinc/21/35/09/960213509.db2.gz ZSCCMZYORSKZEZ-TZMCWYRMSA-N 1 1 351.422 1.599 50 0 FDAAMO CC(C)C[N@@H+]1CCN(S(=O)(=O)N(C)Cc2ccccc2)C[C@H]1CCO ZINC000952874140 960221765 /nfs/dbraw/zinc/22/17/65/960221765.db2.gz XIMWVVCUBXHFDO-GOSISDBHSA-N 1 1 369.531 1.388 50 0 FDAAMO CC(C)C[N@H+]1CCN(S(=O)(=O)N(C)Cc2ccccc2)C[C@H]1CCO ZINC000952874140 960221770 /nfs/dbraw/zinc/22/17/70/960221770.db2.gz XIMWVVCUBXHFDO-GOSISDBHSA-N 1 1 369.531 1.388 50 0 FDAAMO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)ccc1N1CCCC1=O ZINC000952969896 960262421 /nfs/dbraw/zinc/26/24/21/960262421.db2.gz HETXSOITRIXTDR-CQSZACIVSA-N 1 1 358.442 1.258 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC[C@H]2CCCO2)C1 ZINC000952982158 960296682 /nfs/dbraw/zinc/29/66/82/960296682.db2.gz OYGDKVJLDGJZFU-HUUCEWRRSA-N 1 1 361.442 1.380 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC[C@H]2CCCO2)C1 ZINC000952982158 960296692 /nfs/dbraw/zinc/29/66/92/960296692.db2.gz OYGDKVJLDGJZFU-HUUCEWRRSA-N 1 1 361.442 1.380 50 0 FDAAMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000088562152 1013205845 /nfs/dbraw/zinc/20/58/45/1013205845.db2.gz QXUCDMOFWKABOB-GOSISDBHSA-N 1 1 358.486 1.408 50 0 FDAAMO Cc1cc(N2CCN(C(=O)CC[C@H]3CCC[N@H+](C)C3)CC2)n2ncnc2n1 ZINC000095353480 1013802624 /nfs/dbraw/zinc/80/26/24/1013802624.db2.gz HVDKTERWFRWYFJ-MRXNPFEDSA-N 1 1 371.489 1.203 50 0 FDAAMO Cc1nn(C)c(C)c1CN(C(=O)NCC[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000534589494 540386728 /nfs/dbraw/zinc/38/67/28/540386728.db2.gz IHEASAIYTUKUAR-CQSZACIVSA-N 1 1 363.506 1.822 50 0 FDAAMO C[C@@H](CCNC(=O)c1cccc(-c2nccc(N)n2)c1)N1CC[NH+](C)CC1 ZINC000534592207 540387029 /nfs/dbraw/zinc/38/70/29/540387029.db2.gz AFFUYMUANSXTAZ-HNNXBMFYSA-N 1 1 368.485 1.482 50 0 FDAAMO Cc1nn(C)c(C)c1CN(C(=O)NCC[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000534589493 540387231 /nfs/dbraw/zinc/38/72/31/540387231.db2.gz IHEASAIYTUKUAR-AWEZNQCLSA-N 1 1 363.506 1.822 50 0 FDAAMO Cc1ccccc1CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000534673682 540398805 /nfs/dbraw/zinc/39/88/05/540398805.db2.gz FQDIUHDRYXAWLV-IBGZPJMESA-N 1 1 374.529 1.527 50 0 FDAAMO C[C@H]1CCCC[N@@H+]1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000002633886 204048194 /nfs/dbraw/zinc/04/81/94/204048194.db2.gz ITGBPFLUTMWQLQ-AWEZNQCLSA-N 1 1 370.453 1.235 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000002633886 204048196 /nfs/dbraw/zinc/04/81/96/204048196.db2.gz ITGBPFLUTMWQLQ-AWEZNQCLSA-N 1 1 370.453 1.235 50 0 FDAAMO CN(C)S(=O)(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000004512578 204142738 /nfs/dbraw/zinc/14/27/38/204142738.db2.gz KWJOIVVVGPKXJB-UHFFFAOYSA-N 1 1 354.863 1.817 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(F)c1 ZINC000009315287 204361786 /nfs/dbraw/zinc/36/17/86/204361786.db2.gz MQOAXKAKFFBEKY-LBPRGKRZSA-N 1 1 365.430 1.932 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cccc(F)c1 ZINC000009315287 204361791 /nfs/dbraw/zinc/36/17/91/204361791.db2.gz MQOAXKAKFFBEKY-LBPRGKRZSA-N 1 1 365.430 1.932 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714724 204547183 /nfs/dbraw/zinc/54/71/83/204547183.db2.gz YKGPRHLQOUZBQP-HNNXBMFYSA-N 1 1 373.906 1.659 50 0 FDAAMO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COC(C)C)c1 ZINC000036098577 205003260 /nfs/dbraw/zinc/00/32/60/205003260.db2.gz RPYNDNNOOHOKBT-FQEVSTJZSA-N 1 1 350.503 1.915 50 0 FDAAMO CC(C)OC[C@@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104007 205005081 /nfs/dbraw/zinc/00/50/81/205005081.db2.gz PIVQZHOIQLRPSG-SFHVURJKSA-N 1 1 372.456 1.885 50 0 FDAAMO CC(C)OC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104007 205005084 /nfs/dbraw/zinc/00/50/84/205005084.db2.gz PIVQZHOIQLRPSG-SFHVURJKSA-N 1 1 372.456 1.885 50 0 FDAAMO Cc1c(Br)cnn1[C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000036611038 205016439 /nfs/dbraw/zinc/01/64/39/205016439.db2.gz HXQTXEVGKAJIFW-LBPRGKRZSA-N 1 1 359.268 1.354 50 0 FDAAMO CC(C)[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)[NH+]1CCOCC1 ZINC000040043301 205051373 /nfs/dbraw/zinc/05/13/73/205051373.db2.gz ODTDMGNXADVTNO-LLVKDONJSA-N 1 1 358.368 1.912 50 0 FDAAMO COc1cccc(CNC(=O)C[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)c1 ZINC000040120143 205056931 /nfs/dbraw/zinc/05/69/31/205056931.db2.gz NQDKZDLNBGJWQQ-RTBURBONSA-N 1 1 362.470 1.971 50 0 FDAAMO CCOCCC[NH2+]CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000058124320 205250946 /nfs/dbraw/zinc/25/09/46/205250946.db2.gz GWEZBRPXPFGYCP-KRWDZBQOSA-N 1 1 361.442 1.874 50 0 FDAAMO Cn1cc(C(=O)N[C@@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)cn1 ZINC000058297339 205269440 /nfs/dbraw/zinc/26/94/40/205269440.db2.gz ZUUOENHKXIRQBE-IBGZPJMESA-N 1 1 355.486 1.917 50 0 FDAAMO Cn1cc(C(=O)N[C@@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)cn1 ZINC000058297339 205269445 /nfs/dbraw/zinc/26/94/45/205269445.db2.gz ZUUOENHKXIRQBE-IBGZPJMESA-N 1 1 355.486 1.917 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000058342924 205272097 /nfs/dbraw/zinc/27/20/97/205272097.db2.gz OFQWOLQIGXSUGJ-OAHLLOKOSA-N 1 1 357.458 1.418 50 0 FDAAMO Cc1nc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000063884520 205296082 /nfs/dbraw/zinc/29/60/82/205296082.db2.gz QVBMXZBFYZGRJH-OKILXGFUSA-N 1 1 358.442 1.999 50 0 FDAAMO Cc1nc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000063884520 205296089 /nfs/dbraw/zinc/29/60/89/205296089.db2.gz QVBMXZBFYZGRJH-OKILXGFUSA-N 1 1 358.442 1.999 50 0 FDAAMO COCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000065541460 205358670 /nfs/dbraw/zinc/35/86/70/205358670.db2.gz RGPNNJHLZQYSQJ-ZDUSSCGKSA-N 1 1 353.850 1.387 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000067673170 205379788 /nfs/dbraw/zinc/37/97/88/205379788.db2.gz QJYWXAFYDTWTKX-MRXNPFEDSA-N 1 1 367.457 1.562 50 0 FDAAMO C[N@H+](CCN1CCCC1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067691063 205384154 /nfs/dbraw/zinc/38/41/54/205384154.db2.gz KHQALHMFRLTXOL-HXUWFJFHSA-N 1 1 363.477 1.707 50 0 FDAAMO C[N@@H+](CCN1CCCC1)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067691063 205384159 /nfs/dbraw/zinc/38/41/59/205384159.db2.gz KHQALHMFRLTXOL-HXUWFJFHSA-N 1 1 363.477 1.707 50 0 FDAAMO O=C(c1cc(COc2cccc(F)c2)n[nH]1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000067856642 205398296 /nfs/dbraw/zinc/39/82/96/205398296.db2.gz UIRQYCWOHWKKLW-ROUUACIJSA-N 1 1 374.416 1.409 50 0 FDAAMO CN(C)c1nc2c(c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)n1)CCNC2 ZINC000067868695 205399466 /nfs/dbraw/zinc/39/94/66/205399466.db2.gz NKQDAYRPGXJAKH-HNNXBMFYSA-N 1 1 360.506 1.244 50 0 FDAAMO COCCN1CC[C@@]2(CN(Cc3cc(C)no3)CC[N@H+]2C)CCC1=O ZINC000107414980 206018675 /nfs/dbraw/zinc/01/86/75/206018675.db2.gz FPJBPBTYGHXPMB-GOSISDBHSA-N 1 1 350.463 1.128 50 0 FDAAMO Cc1ccc(=O)n([C@@H](C)C(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000044395457 206069996 /nfs/dbraw/zinc/06/99/96/206069996.db2.gz UEJRLFAPVVMCIH-KRWDZBQOSA-N 1 1 354.454 1.500 50 0 FDAAMO COc1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000002093369 206152047 /nfs/dbraw/zinc/15/20/47/206152047.db2.gz MYIFTZQUOJWRIQ-GVDBMIGSSA-N 1 1 370.449 1.716 50 0 biogenic FDAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1 ZINC000004275465 206175663 /nfs/dbraw/zinc/17/56/63/206175663.db2.gz QEZVVIDQYMPXRC-UHFFFAOYSA-N 1 1 351.428 1.440 50 0 FDAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1 ZINC000004275465 206175664 /nfs/dbraw/zinc/17/56/64/206175664.db2.gz QEZVVIDQYMPXRC-UHFFFAOYSA-N 1 1 351.428 1.440 50 0 FDAAMO CCCC[N@@H+](CCO)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008428542 206216118 /nfs/dbraw/zinc/21/61/18/206216118.db2.gz DFCQMGPSDOHJGL-HNNXBMFYSA-N 1 1 355.431 1.316 50 0 FDAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](C(C)C)[C@H](CCO)C1 ZINC000104362290 206237814 /nfs/dbraw/zinc/23/78/14/206237814.db2.gz OZALNTZIYDSDOC-MRXNPFEDSA-N 1 1 352.475 1.989 50 0 FDAAMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000170591723 206270261 /nfs/dbraw/zinc/27/02/61/206270261.db2.gz DERXHPSQUSSFHI-YOEHRIQHSA-N 1 1 368.499 1.508 50 0 FDAAMO C[N@@H+](C[C@H](O)CN1CCCC1=O)C1CCN(CCc2ccccn2)CC1 ZINC000175784778 206291644 /nfs/dbraw/zinc/29/16/44/206291644.db2.gz IXXTWSAXMDPHLS-IBGZPJMESA-N 1 1 360.502 1.004 50 0 FDAAMO COc1ccc([C@H](O)C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000215537822 206348832 /nfs/dbraw/zinc/34/88/32/206348832.db2.gz FBFRFSHQXQDINR-IBGZPJMESA-N 1 1 355.438 1.858 50 0 FDAAMO COc1ccc([C@H](O)C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000215537822 206348837 /nfs/dbraw/zinc/34/88/37/206348837.db2.gz FBFRFSHQXQDINR-IBGZPJMESA-N 1 1 355.438 1.858 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)NC[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000220270666 206398479 /nfs/dbraw/zinc/39/84/79/206398479.db2.gz AUMOBXJRLDIJOZ-INIZCTEOSA-N 1 1 364.921 1.920 50 0 FDAAMO Cc1ccc2c(c1)c(=O)c(C(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1)cn2C ZINC000244788036 206558077 /nfs/dbraw/zinc/55/80/77/206558077.db2.gz QIBLHBKUNFYVNZ-WMZOPIPTSA-N 1 1 355.438 1.440 50 0 FDAAMO Cc1cc(N2CCC3(CC2)c2[nH]cnc2CCN3S(C)(=O)=O)cc[nH+]1 ZINC000091486707 132202102 /nfs/dbraw/zinc/20/21/02/132202102.db2.gz MNLCJJQSWYLPQR-UHFFFAOYSA-N 1 1 361.471 1.427 50 0 FDAAMO Cc1nc2c(cnn2C)c(N2CC[N@H+](Cc3ccoc3)[C@@H](CCO)C2)n1 ZINC000108008894 132242679 /nfs/dbraw/zinc/24/26/79/132242679.db2.gz IDSFRWKNATXWNM-HNNXBMFYSA-N 1 1 356.430 1.338 50 0 FDAAMO Cc1nc2c(cnn2C)c(N2CC[N@@H+](Cc3ccoc3)[C@@H](CCO)C2)n1 ZINC000108008894 132242681 /nfs/dbraw/zinc/24/26/81/132242681.db2.gz IDSFRWKNATXWNM-HNNXBMFYSA-N 1 1 356.430 1.338 50 0 FDAAMO O=C(COc1cc[nH+]c2c1CCCC2)N1CCN(c2ncccn2)CC1 ZINC000207012619 132268389 /nfs/dbraw/zinc/26/83/89/132268389.db2.gz WIDDSWCRTWYWJH-UHFFFAOYSA-N 1 1 353.426 1.478 50 0 FDAAMO O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)NC1CCOCC1 ZINC000225551779 132285194 /nfs/dbraw/zinc/28/51/94/132285194.db2.gz VKXKZJBDSJELLA-UHFFFAOYSA-N 1 1 366.893 1.940 50 0 FDAAMO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(OC)cc3)c(N)n2)CC1 ZINC000065154804 136135142 /nfs/dbraw/zinc/13/51/42/136135142.db2.gz NHSIECCRSKRCSN-UHFFFAOYSA-N 1 1 356.430 1.462 50 0 FDAAMO C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000069488109 136138029 /nfs/dbraw/zinc/13/80/29/136138029.db2.gz LVKZAEPPQLPFKB-HNNXBMFYSA-N 1 1 355.442 1.772 50 0 FDAAMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000069488109 136138030 /nfs/dbraw/zinc/13/80/30/136138030.db2.gz LVKZAEPPQLPFKB-HNNXBMFYSA-N 1 1 355.442 1.772 50 0 FDAAMO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)nc(-c2ccccc2)n1 ZINC000071748399 136139962 /nfs/dbraw/zinc/13/99/62/136139962.db2.gz ZPNVEGPOUFTKBC-QZTJIDSGSA-N 1 1 354.454 1.724 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CCC3)CC[NH2+]1 ZINC000072160976 136143369 /nfs/dbraw/zinc/14/33/69/136143369.db2.gz WHGQGMBVCZHUHA-SFHVURJKSA-N 1 1 363.465 1.689 50 0 FDAAMO Cc1nc2c(c(N3CC[N@@H+](C)[C@H](C)C3)n1)CCN(c1ncccn1)CC2 ZINC000072424598 136146402 /nfs/dbraw/zinc/14/64/02/136146402.db2.gz WGCADJAYLQUWDD-CQSZACIVSA-N 1 1 353.474 1.321 50 0 FDAAMO Cc1ccc(C(N)=O)c(N2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)n1 ZINC000072426956 136146722 /nfs/dbraw/zinc/14/67/22/136146722.db2.gz OAVLDJFRDRYRIS-GOSISDBHSA-N 1 1 368.481 1.605 50 0 FDAAMO OC[C@]1(O)CCC[N@@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000072430254 136146788 /nfs/dbraw/zinc/14/67/88/136146788.db2.gz PTPWLAUOPIHHGP-FQEVSTJZSA-N 1 1 357.454 1.391 50 0 FDAAMO COCC[NH+]1CCC(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000076046893 136150924 /nfs/dbraw/zinc/15/09/24/136150924.db2.gz BWPVSAIJQQUJJZ-GOSISDBHSA-N 1 1 374.529 1.424 50 0 FDAAMO O=C(c1ccc(Cn2cccn2)cc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329670853 259106448 /nfs/dbraw/zinc/10/64/48/259106448.db2.gz RXMPDPAYAOMHHD-SFHVURJKSA-N 1 1 354.454 1.726 50 0 FDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000005348477 518341457 /nfs/dbraw/zinc/34/14/57/518341457.db2.gz DDBNPHFKULZTKC-KSVNGYGVSA-N 1 1 353.422 1.713 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(C)=O)c1 ZINC000009339090 518503081 /nfs/dbraw/zinc/50/30/81/518503081.db2.gz UEVZKYADICYHMJ-UHFFFAOYSA-N 1 1 368.503 1.427 50 0 FDAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CCC[N@@H+]1CCC[C@H](C)C1 ZINC000010049341 518526411 /nfs/dbraw/zinc/52/64/11/518526411.db2.gz OYRJZUYEDRQYAA-LBPRGKRZSA-N 1 1 358.446 1.106 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC000011771569 518571307 /nfs/dbraw/zinc/57/13/07/518571307.db2.gz WENJUBXEKKDWCO-MRXNPFEDSA-N 1 1 361.486 1.992 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1OC ZINC000011771569 518571316 /nfs/dbraw/zinc/57/13/16/518571316.db2.gz WENJUBXEKKDWCO-MRXNPFEDSA-N 1 1 361.486 1.992 50 0 FDAAMO CCCC[C@@H]1C[N@H+](CC(=O)N2CCN(C=O)CC2)Cc2ccccc2O1 ZINC000011964354 518582687 /nfs/dbraw/zinc/58/26/87/518582687.db2.gz VCNKFAJXIPBWKB-GOSISDBHSA-N 1 1 359.470 1.740 50 0 FDAAMO CCCC[C@@H]1C[N@@H+](CC(=O)N2CCN(C=O)CC2)Cc2ccccc2O1 ZINC000011964354 518582691 /nfs/dbraw/zinc/58/26/91/518582691.db2.gz VCNKFAJXIPBWKB-GOSISDBHSA-N 1 1 359.470 1.740 50 0 FDAAMO O=C(CN1CCOC1=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012200267 518596673 /nfs/dbraw/zinc/59/66/73/518596673.db2.gz SIGSPCGNKUCOFN-OAHLLOKOSA-N 1 1 351.834 1.873 50 0 FDAAMO O=C(CN1CCOC1=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012200267 518596679 /nfs/dbraw/zinc/59/66/79/518596679.db2.gz SIGSPCGNKUCOFN-OAHLLOKOSA-N 1 1 351.834 1.873 50 0 FDAAMO C[N@@H+](CCn1cc(C(=O)N2CCSCC2)nn1)Cc1cccc(F)c1 ZINC000012209861 518597150 /nfs/dbraw/zinc/59/71/50/518597150.db2.gz DIDQPFDTZLFZIL-UHFFFAOYSA-N 1 1 363.462 1.738 50 0 FDAAMO CC[N@H+]1CCC[C@H](CN(C)c2nc3nonc3nc2NCCCOC)C1 ZINC000012298074 518602774 /nfs/dbraw/zinc/60/27/74/518602774.db2.gz MRDLDCKFOQVQFW-CYBMUJFWSA-N 1 1 363.466 1.629 50 0 FDAAMO OCCNc1nc(N2CCOc3ccccc3C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299798707 534365594 /nfs/dbraw/zinc/36/55/94/534365594.db2.gz QZIXAKUANYJHQF-OAHLLOKOSA-N 1 1 356.426 1.784 50 0 FDAAMO Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000012587843 518621867 /nfs/dbraw/zinc/62/18/67/518621867.db2.gz POIGTRUVWQNLHQ-GOSISDBHSA-N 1 1 361.534 1.765 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000013010860 518649385 /nfs/dbraw/zinc/64/93/85/518649385.db2.gz OGPMZNDDGMJXPK-AWEZNQCLSA-N 1 1 363.433 1.724 50 0 FDAAMO CC[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)c(C)c1 ZINC000013371778 518657715 /nfs/dbraw/zinc/65/77/15/518657715.db2.gz HJUDYSWFTADQOB-CQDKDKBSSA-N 1 1 363.476 1.462 50 0 FDAAMO COc1cc2oc(=O)c(CC(=O)N3CC[NH+](C)CC3)c(C)c2cc1OC ZINC000013691507 518665648 /nfs/dbraw/zinc/66/56/48/518665648.db2.gz YZYGIWLJFNVGSZ-UHFFFAOYSA-N 1 1 360.410 1.435 50 0 FDAAMO COC(=O)c1ccccc1NC(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000014076002 518672471 /nfs/dbraw/zinc/67/24/71/518672471.db2.gz DUMZBEPAMCCYKB-UHFFFAOYSA-N 1 1 369.421 1.789 50 0 FDAAMO COC(=O)c1ccccc1NC(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000014076002 518672473 /nfs/dbraw/zinc/67/24/73/518672473.db2.gz DUMZBEPAMCCYKB-UHFFFAOYSA-N 1 1 369.421 1.789 50 0 FDAAMO Cn1cc(C[N@@H+](C)C[C@H]2COCCO2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000014953847 518703964 /nfs/dbraw/zinc/70/39/64/518703964.db2.gz YHXWFBAWNRSFAH-INIZCTEOSA-N 1 1 359.426 1.706 50 0 FDAAMO CCOCc1nc(-c2c(C)ncc3c2CCN(c2cc[nH+]c(N)n2)C3)no1 ZINC000020149445 518845583 /nfs/dbraw/zinc/84/55/83/518845583.db2.gz GALOXWGBFGYOPR-UHFFFAOYSA-N 1 1 367.413 1.911 50 0 FDAAMO COc1cc(OC)c(OC)cc1CN1CC[N@@H+](C(C)C)[C@@H](CCO)C1 ZINC000020454396 518851868 /nfs/dbraw/zinc/85/18/68/518851868.db2.gz OZALNTZIYDSDOC-INIZCTEOSA-N 1 1 352.475 1.989 50 0 FDAAMO CC[NH+]1CCN(CC2=C(C(=O)OC)[C@H](c3ccc(C)cc3)NC(=O)N2)CC1 ZINC000022587478 518904156 /nfs/dbraw/zinc/90/41/56/518904156.db2.gz BCRGIOCTUNJHRX-SFHVURJKSA-N 1 1 372.469 1.414 50 0 FDAAMO CCOC(=O)c1cc(NC(=O)NCCC[NH+]2CCOCC2)c(C)nc1C ZINC000023409164 518951618 /nfs/dbraw/zinc/95/16/18/518951618.db2.gz VPMZYHVBNGPSIR-UHFFFAOYSA-N 1 1 364.446 1.719 50 0 FDAAMO CNC(=O)NC(=O)[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000023717889 518962500 /nfs/dbraw/zinc/96/25/00/518962500.db2.gz GXDSCCPRBKSWLV-WMLDXEAASA-N 1 1 355.394 1.613 50 0 FDAAMO CS(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000025361382 519059194 /nfs/dbraw/zinc/05/91/94/519059194.db2.gz NGLXZSYTFGTKFT-INIZCTEOSA-N 1 1 369.462 1.066 50 0 FDAAMO CS(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000025361382 519059202 /nfs/dbraw/zinc/05/92/02/519059202.db2.gz NGLXZSYTFGTKFT-INIZCTEOSA-N 1 1 369.462 1.066 50 0 FDAAMO Cn1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000025426354 519061808 /nfs/dbraw/zinc/06/18/08/519061808.db2.gz UYOHHJLXJHGFLK-UHFFFAOYSA-N 1 1 362.433 1.892 50 0 FDAAMO O=C(NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1)Nc1ccccc1 ZINC000026179185 519105779 /nfs/dbraw/zinc/10/57/79/519105779.db2.gz OYQNUKVRRIKLHC-KRWDZBQOSA-N 1 1 360.458 1.521 50 0 FDAAMO O=C(NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCOCC1)Nc1ccccc1 ZINC000026179185 519105783 /nfs/dbraw/zinc/10/57/83/519105783.db2.gz OYQNUKVRRIKLHC-KRWDZBQOSA-N 1 1 360.458 1.521 50 0 FDAAMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000028879142 519255715 /nfs/dbraw/zinc/25/57/15/519255715.db2.gz XOANZKPCNNJQJO-GMXVVIOVSA-N 1 1 360.426 1.649 50 0 FDAAMO NC(=O)NCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000032819626 519543105 /nfs/dbraw/zinc/54/31/05/519543105.db2.gz FZLPLMDTQJZTTN-GOSISDBHSA-N 1 1 352.438 1.859 50 0 FDAAMO Cc1nc2ccccc2n(CC(=O)NCC[N@H+](C)Cc2ccccc2)c1=O ZINC000032974618 519558497 /nfs/dbraw/zinc/55/84/97/519558497.db2.gz QQTNOXMAIGEHSJ-UHFFFAOYSA-N 1 1 364.449 1.953 50 0 FDAAMO CCCNC(=O)c1coc(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000034677274 519594526 /nfs/dbraw/zinc/59/45/26/519594526.db2.gz ULKYGZCNOXGVSH-SFHVURJKSA-N 1 1 372.469 1.666 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000034691416 519596672 /nfs/dbraw/zinc/59/66/72/519596672.db2.gz PPUYQZQIUBIXDG-CVEARBPZSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2F)C1 ZINC000034691416 519596677 /nfs/dbraw/zinc/59/66/77/519596677.db2.gz PPUYQZQIUBIXDG-CVEARBPZSA-N 1 1 368.449 1.386 50 0 FDAAMO CCN(CCO)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019745930 521095765 /nfs/dbraw/zinc/09/57/65/521095765.db2.gz QNYFAVLZMYOJGR-UHFFFAOYSA-N 1 1 372.469 1.447 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C(=O)OC)[C@H](O)c2ccncc2)C1 ZINC000241316932 521115860 /nfs/dbraw/zinc/11/58/60/521115860.db2.gz LWELLZIVNOSXIC-BZUAXINKSA-N 1 1 350.415 1.179 50 0 FDAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000241161292 521525062 /nfs/dbraw/zinc/52/50/62/521525062.db2.gz JZRGHWFEQCUHQC-DLBZAZTESA-N 1 1 351.443 1.840 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)CC1 ZINC000019991865 521662559 /nfs/dbraw/zinc/66/25/59/521662559.db2.gz TWVABETZLJRINI-UHFFFAOYSA-N 1 1 367.515 1.705 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)C[C@@H]2Oc3ccc(C)cc3NC2=O)CC1 ZINC000020379802 521679572 /nfs/dbraw/zinc/67/95/72/521679572.db2.gz VLYFWSBFWCWQNA-SFHVURJKSA-N 1 1 374.485 1.228 50 0 FDAAMO Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000069976194 521988563 /nfs/dbraw/zinc/98/85/63/521988563.db2.gz QCUCALHNGAYKNG-HNNXBMFYSA-N 1 1 355.442 1.472 50 0 FDAAMO CN(C)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071385517 522111361 /nfs/dbraw/zinc/11/13/61/522111361.db2.gz KBBQPJQNNPOKJX-INIZCTEOSA-N 1 1 373.501 1.556 50 0 FDAAMO NC(=O)CN1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071419291 522113181 /nfs/dbraw/zinc/11/31/81/522113181.db2.gz SBJUBYHGGHNBDH-SFHVURJKSA-N 1 1 372.513 1.007 50 0 FDAAMO Cc1nnnn1CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071614745 522116021 /nfs/dbraw/zinc/11/60/21/522116021.db2.gz UDWNKHDGAXGGSP-GOSISDBHSA-N 1 1 374.464 1.880 50 0 FDAAMO NC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071738543 522121292 /nfs/dbraw/zinc/12/12/92/522121292.db2.gz YMWDBYASAXSWEJ-GOSISDBHSA-N 1 1 372.513 1.007 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000071749684 522123737 /nfs/dbraw/zinc/12/37/37/522123737.db2.gz POOBYAJELDXMLQ-SFHVURJKSA-N 1 1 373.497 1.766 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ncccc3C)CC2)C1 ZINC000071767982 522130519 /nfs/dbraw/zinc/13/05/19/522130519.db2.gz NYFRSKPANHFIEP-SFHVURJKSA-N 1 1 374.529 1.829 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)C1 ZINC000071762274 522130641 /nfs/dbraw/zinc/13/06/41/522130641.db2.gz OCHIZKOBURLQEG-CQSZACIVSA-N 1 1 355.504 1.730 50 0 FDAAMO CCc1[nH]c2ccc(CNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)cc2c1C ZINC000071775809 522132816 /nfs/dbraw/zinc/13/28/16/522132816.db2.gz SOPDPMRGCRVUKU-OAHLLOKOSA-N 1 1 356.470 1.852 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071776276 522134004 /nfs/dbraw/zinc/13/40/04/522134004.db2.gz ZADAVINMXWMRDO-MRXNPFEDSA-N 1 1 366.469 1.949 50 0 FDAAMO CC[NH+]1CCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000072079122 522150385 /nfs/dbraw/zinc/15/03/85/522150385.db2.gz YDWUEZZFFWIBIU-UHFFFAOYSA-N 1 1 368.547 1.468 50 0 FDAAMO CCOCCn1nc(C)cc1C(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072129362 522158600 /nfs/dbraw/zinc/15/86/00/522158600.db2.gz UXLXHWFMNPDBBU-QGZVFWFLSA-N 1 1 364.490 1.289 50 0 FDAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000072135155 522163626 /nfs/dbraw/zinc/16/36/26/522163626.db2.gz BPOORINPJCTCSE-HNNXBMFYSA-N 1 1 371.368 1.607 50 0 FDAAMO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1cn2c(n1)CNCC2 ZINC000072144577 522170392 /nfs/dbraw/zinc/17/03/92/522170392.db2.gz RWVGPSFBKCMXCQ-KRWDZBQOSA-N 1 1 354.458 1.338 50 0 FDAAMO O=C(CC[N@H+]1C[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C1)NCc1ccccc1Cl ZINC000072146999 522172256 /nfs/dbraw/zinc/17/22/56/522172256.db2.gz FQEBAXOZQWVNRC-FSDCSDTHSA-N 1 1 352.862 1.410 50 0 FDAAMO CN(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000072149169 522175954 /nfs/dbraw/zinc/17/59/54/522175954.db2.gz WSKWVNQVLSKKDK-KRWDZBQOSA-N 1 1 356.474 1.570 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000072149169 522175968 /nfs/dbraw/zinc/17/59/68/522175968.db2.gz WSKWVNQVLSKKDK-KRWDZBQOSA-N 1 1 356.474 1.570 50 0 FDAAMO CN(CC(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1)Cc1ccccc1F ZINC000072149859 522176585 /nfs/dbraw/zinc/17/65/85/522176585.db2.gz ZGYUDOFUWWSVOM-SFHVURJKSA-N 1 1 363.477 1.705 50 0 FDAAMO Cn1ncc2c1nc(-c1cccnc1)nc2NCC[N@H+]1CCCC[C@H]1CO ZINC000072167446 522193877 /nfs/dbraw/zinc/19/38/77/522193877.db2.gz RHTTYPWZTPTUAR-HNNXBMFYSA-N 1 1 367.457 1.684 50 0 FDAAMO CC(C)[C@H](CNC(=O)c1cccc(-n2cncn2)c1)N1CC[NH+](C)CC1 ZINC000072286027 522205426 /nfs/dbraw/zinc/20/54/26/522205426.db2.gz GKHGECDDJVUIPN-SFHVURJKSA-N 1 1 356.474 1.269 50 0 FDAAMO C[C@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)NC(=O)C1CCCC1 ZINC000072277568 522206669 /nfs/dbraw/zinc/20/66/69/522206669.db2.gz YGWIWDJTMPUJHM-AEFFLSMTSA-N 1 1 365.518 1.785 50 0 FDAAMO CN1C[C@]2(CC[N@@H+](Cc3ccc(OCCn4ccnc4)cc3)C2)OC1=O ZINC000072409484 522238612 /nfs/dbraw/zinc/23/86/12/522238612.db2.gz WVBJZOOFAOJJTH-IBGZPJMESA-N 1 1 356.426 1.989 50 0 FDAAMO O=C(CC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1)NC1CC1 ZINC000072426262 522262315 /nfs/dbraw/zinc/26/23/15/522262315.db2.gz GXJAJPNUHANYJX-NRFANRHFSA-N 1 1 370.497 1.955 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNc2nc(-c3ccncc3)nc3c2cnn3C)C1 ZINC000072479811 522305690 /nfs/dbraw/zinc/30/56/90/522305690.db2.gz BQVVYKKNXQQEBM-AWEZNQCLSA-N 1 1 367.457 1.806 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)C[C@@H]1CCCO1 ZINC000060369928 522368550 /nfs/dbraw/zinc/36/85/50/522368550.db2.gz QCUOVCIRUIXJKC-ZFWWWQNUSA-N 1 1 369.487 1.375 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000060369928 522368558 /nfs/dbraw/zinc/36/85/58/522368558.db2.gz QCUOVCIRUIXJKC-ZFWWWQNUSA-N 1 1 369.487 1.375 50 0 FDAAMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)ccc1F ZINC000077300362 523289368 /nfs/dbraw/zinc/28/93/68/523289368.db2.gz IHACEKHNSOBTTE-IAGOWNOFSA-N 1 1 359.401 1.595 50 0 FDAAMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)ccc1F ZINC000077300362 523289372 /nfs/dbraw/zinc/28/93/72/523289372.db2.gz IHACEKHNSOBTTE-IAGOWNOFSA-N 1 1 359.401 1.595 50 0 FDAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@@H]3CC3(C)C)CC2)OC1=O ZINC000077471209 523351774 /nfs/dbraw/zinc/35/17/74/523351774.db2.gz MKUMGCCFBOKDNV-HNNXBMFYSA-N 1 1 367.490 1.424 50 0 FDAAMO CCc1nnsc1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000053237427 523377887 /nfs/dbraw/zinc/37/78/87/523377887.db2.gz IMJYNAAIXSTABI-UHFFFAOYSA-N 1 1 359.499 1.778 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(Cc2ccc3nsnc3c2)C[C@@H]1CO ZINC000091693620 523618092 /nfs/dbraw/zinc/61/80/92/523618092.db2.gz WUWJAVKVHDLNRA-HUUCEWRRSA-N 1 1 350.488 1.310 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2csc(C(C)=O)c2)C1 ZINC000091621468 523621136 /nfs/dbraw/zinc/62/11/36/523621136.db2.gz BAEGBDQDAMVWDY-CABCVRRESA-N 1 1 368.499 1.600 50 0 FDAAMO O=c1oc2ccccc2n1CCC[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000079058674 523696221 /nfs/dbraw/zinc/69/62/21/523696221.db2.gz NTHZPKFMQOBSBO-LBPRGKRZSA-N 1 1 362.348 1.592 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1nc(C)c(C(C)=O)c1C)C2 ZINC000091586614 523887472 /nfs/dbraw/zinc/88/74/72/523887472.db2.gz OAIZARAMRDFIOP-IAGOWNOFSA-N 1 1 362.474 1.272 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CN2CCOCC2)C3)cc1 ZINC000091636603 524042697 /nfs/dbraw/zinc/04/26/97/524042697.db2.gz QNUVLNICJZXYBB-RBUKOAKNSA-N 1 1 373.497 1.450 50 0 FDAAMO Cn1cc(N2CC[C@@H](N3CC[NH+](CCOc4ccccc4)CC3)C2=O)cn1 ZINC000111194283 524212656 /nfs/dbraw/zinc/21/26/56/524212656.db2.gz YBXQQLWDTARXTB-LJQANCHMSA-N 1 1 369.469 1.222 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](C2CCN(C3CCOCC3)CC2)C1)N1CCOCC1 ZINC000082116242 524214916 /nfs/dbraw/zinc/21/49/16/524214916.db2.gz LXYKZKNKTHXRRI-KRWDZBQOSA-N 1 1 365.518 1.201 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(C3CCOCC3)CC2)C1)N1CCOCC1 ZINC000082116242 524214926 /nfs/dbraw/zinc/21/49/26/524214926.db2.gz LXYKZKNKTHXRRI-KRWDZBQOSA-N 1 1 365.518 1.201 50 0 FDAAMO CC(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082160649 524217987 /nfs/dbraw/zinc/21/79/87/524217987.db2.gz FRRRSMSRWNYFHC-MRXNPFEDSA-N 1 1 367.490 1.567 50 0 FDAAMO Cc1cccc(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1 ZINC000091350769 524341343 /nfs/dbraw/zinc/34/13/43/524341343.db2.gz LFYVMSNYXFCTJF-WOJBJXKFSA-N 1 1 359.514 1.242 50 0 FDAAMO Cc1cccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091350769 524341352 /nfs/dbraw/zinc/34/13/52/524341352.db2.gz LFYVMSNYXFCTJF-WOJBJXKFSA-N 1 1 359.514 1.242 50 0 FDAAMO Cc1cccc(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091350769 524341364 /nfs/dbraw/zinc/34/13/64/524341364.db2.gz LFYVMSNYXFCTJF-WOJBJXKFSA-N 1 1 359.514 1.242 50 0 FDAAMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)N(C)c1nccn2cnnc12 ZINC000089929794 524547152 /nfs/dbraw/zinc/54/71/52/524547152.db2.gz LYXKPEYCWSHLCJ-HUUCEWRRSA-N 1 1 359.478 1.187 50 0 FDAAMO COc1ccccc1N1CC[C@@H](N2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000151512272 524598853 /nfs/dbraw/zinc/59/88/53/524598853.db2.gz CTUOVGGJCVBNAM-GOSISDBHSA-N 1 1 361.486 1.579 50 0 FDAAMO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cnn(CC)c1)CC2 ZINC000091288871 524690375 /nfs/dbraw/zinc/69/03/75/524690375.db2.gz SQAAKTHLJHVMDW-UHFFFAOYSA-N 1 1 356.474 1.912 50 0 FDAAMO CC1(C)CN(S(=O)(=O)c2cccs2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091364570 524693378 /nfs/dbraw/zinc/69/33/78/524693378.db2.gz UPNPJWPWFXLBQR-MRXNPFEDSA-N 1 1 374.528 1.232 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cnc[nH]c2=O)C3)cc1 ZINC000091550874 524724555 /nfs/dbraw/zinc/72/45/55/524724555.db2.gz CZDYLKSIKGQEBB-JKSUJKDBSA-N 1 1 368.437 1.515 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnn1C)CC2 ZINC000091620168 524744149 /nfs/dbraw/zinc/74/41/49/524744149.db2.gz IMXLSJQHVGCDHY-UHFFFAOYSA-N 1 1 356.474 1.789 50 0 FDAAMO COCCN1CC[C@]2(CN(C(=O)N3CCCCC3)CC[N@H+]2C)CCC1=O ZINC000091713070 524764177 /nfs/dbraw/zinc/76/41/77/524764177.db2.gz NJLSFRRVJBJRLO-IBGZPJMESA-N 1 1 366.506 1.237 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2c(C)noc2C)C[C@@H]1NC(=O)CN(C)C(N)=O ZINC000091713765 524767818 /nfs/dbraw/zinc/76/78/18/524767818.db2.gz LUSVYDMJQFZMMW-ZFWWWQNUSA-N 1 1 351.451 1.019 50 0 FDAAMO Cn1cccc1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091746545 524773687 /nfs/dbraw/zinc/77/36/87/524773687.db2.gz ASYKNXAMDPMEAV-INIZCTEOSA-N 1 1 358.486 1.574 50 0 FDAAMO COc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1=O ZINC000091755307 524776912 /nfs/dbraw/zinc/77/69/12/524776912.db2.gz NQAXBBHEFVHMEG-XJKSGUPXSA-N 1 1 360.483 1.936 50 0 FDAAMO COc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)cc1=O ZINC000091755307 524776921 /nfs/dbraw/zinc/77/69/21/524776921.db2.gz NQAXBBHEFVHMEG-XJKSGUPXSA-N 1 1 360.483 1.936 50 0 FDAAMO COc1ccc(C(=O)N[C@H]2C[N@H+](CC(N)=O)C[C@@H]2C2CC2)cc1Cl ZINC000091845860 524798009 /nfs/dbraw/zinc/79/80/09/524798009.db2.gz SCUYDXZWPBUAPT-OCCSQVGLSA-N 1 1 351.834 1.274 50 0 FDAAMO COc1ccc(C(=O)N[C@H]2C[N@@H+](CC(N)=O)C[C@@H]2C2CC2)cc1Cl ZINC000091845860 524798019 /nfs/dbraw/zinc/79/80/19/524798019.db2.gz SCUYDXZWPBUAPT-OCCSQVGLSA-N 1 1 351.834 1.274 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](CC2CCCC2)CC1 ZINC000091871310 524802526 /nfs/dbraw/zinc/80/25/26/524802526.db2.gz OPWXKXABOLITJV-UHFFFAOYSA-N 1 1 360.550 1.932 50 0 FDAAMO O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000091915415 524811417 /nfs/dbraw/zinc/81/14/17/524811417.db2.gz VKUNCKDFZRELJA-INIZCTEOSA-N 1 1 363.483 1.438 50 0 FDAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3nc(C(N)=O)no3)CC2)C1 ZINC000091951799 524816595 /nfs/dbraw/zinc/81/65/95/524816595.db2.gz NZFQGFDUDWXVPX-INIZCTEOSA-N 1 1 369.469 1.870 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091997282 524824946 /nfs/dbraw/zinc/82/49/46/524824946.db2.gz DTNFSAFDYAOCEX-KRWDZBQOSA-N 1 1 351.516 1.994 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(=O)[nH]c1C ZINC000092038784 524834021 /nfs/dbraw/zinc/83/40/21/524834021.db2.gz PDVWHRVBGVCOOK-KRWDZBQOSA-N 1 1 355.438 1.311 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(=O)[nH]c1C ZINC000092038784 524834031 /nfs/dbraw/zinc/83/40/31/524834031.db2.gz PDVWHRVBGVCOOK-KRWDZBQOSA-N 1 1 355.438 1.311 50 0 FDAAMO Cc1ccccc1C[N@@H+](CCO)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000092037157 524834697 /nfs/dbraw/zinc/83/46/97/524834697.db2.gz UCDMLOZWFODKMD-UHFFFAOYSA-N 1 1 365.433 1.930 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000092046618 524834981 /nfs/dbraw/zinc/83/49/81/524834981.db2.gz YXIQIRPGVKJNHV-SJORKVTESA-N 1 1 360.498 1.824 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000092107322 524848902 /nfs/dbraw/zinc/84/89/02/524848902.db2.gz GUQZIRBHXNPOHC-LJQANCHMSA-N 1 1 351.491 1.206 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000092107322 524848916 /nfs/dbraw/zinc/84/89/16/524848916.db2.gz GUQZIRBHXNPOHC-LJQANCHMSA-N 1 1 351.491 1.206 50 0 FDAAMO C[N@@H+]1CCN(C(=O)C(=O)c2ccco2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095355041 525030585 /nfs/dbraw/zinc/03/05/85/525030585.db2.gz CYPQZVQRHWUMIC-FQEVSTJZSA-N 1 1 373.453 1.398 50 0 FDAAMO C[N@H+]1CCN(C(=O)C(=O)c2ccco2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095355041 525030591 /nfs/dbraw/zinc/03/05/91/525030591.db2.gz CYPQZVQRHWUMIC-FQEVSTJZSA-N 1 1 373.453 1.398 50 0 FDAAMO CC(C)=CCN1CC2(CC1=O)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)CC2 ZINC000095358435 525034835 /nfs/dbraw/zinc/03/48/35/525034835.db2.gz RJTHCCJXZNALMU-INIZCTEOSA-N 1 1 359.474 1.087 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095360161 525034933 /nfs/dbraw/zinc/03/49/33/525034933.db2.gz CDOVAZOBHFYHJF-GVDBMIGSSA-N 1 1 371.453 1.633 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1C ZINC000095366503 525041009 /nfs/dbraw/zinc/04/10/09/525041009.db2.gz OSQRMESAKZRHGQ-HNNXBMFYSA-N 1 1 365.441 1.783 50 0 FDAAMO Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c(=O)[nH]1 ZINC000095367885 525042470 /nfs/dbraw/zinc/04/24/70/525042470.db2.gz CAXIYVLWJXMRHK-IAGOWNOFSA-N 1 1 358.486 1.652 50 0 FDAAMO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(C(=O)c1ccn[nH]1)C2 ZINC000095376854 525048745 /nfs/dbraw/zinc/04/87/45/525048745.db2.gz WHUJCSWINZDYGG-MDZRGWNJSA-N 1 1 362.474 1.389 50 0 FDAAMO CNc1nc(N2CC[C@]3(C2)CCCN(CCOC)C3=O)[nH+]c2c1CCC2 ZINC000095376129 525050352 /nfs/dbraw/zinc/05/03/52/525050352.db2.gz MMCMLIXFVKASOB-IBGZPJMESA-N 1 1 359.474 1.472 50 0 FDAAMO Cc1cc2c(cc1CN1C[C@H]3CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C3)OCCO2 ZINC000095379485 525051942 /nfs/dbraw/zinc/05/19/42/525051942.db2.gz WYJQHOHKKPTILJ-FUHWJXTLSA-N 1 1 373.497 1.751 50 0 FDAAMO Cc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H]1CN(CC(=O)N(C)C)C3)OCCO2 ZINC000095379485 525051955 /nfs/dbraw/zinc/05/19/55/525051955.db2.gz WYJQHOHKKPTILJ-FUHWJXTLSA-N 1 1 373.497 1.751 50 0 FDAAMO Cc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H]1CN(CC(=O)N(C)C)C3)OCCO2 ZINC000095379485 525051964 /nfs/dbraw/zinc/05/19/64/525051964.db2.gz WYJQHOHKKPTILJ-FUHWJXTLSA-N 1 1 373.497 1.751 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)nc(N)n1 ZINC000095387247 525059008 /nfs/dbraw/zinc/05/90/08/525059008.db2.gz LBPGCULJIAVWMA-GOEBONIOSA-N 1 1 352.442 1.499 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)nc(N)n1 ZINC000095387247 525059017 /nfs/dbraw/zinc/05/90/17/525059017.db2.gz LBPGCULJIAVWMA-GOEBONIOSA-N 1 1 352.442 1.499 50 0 FDAAMO Cc1cc(=O)[nH]c(NCCNC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000095386682 525061257 /nfs/dbraw/zinc/06/12/57/525061257.db2.gz CABJWJGJFDXFND-QGZVFWFLSA-N 1 1 369.469 1.486 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc(N)nc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000095392802 525065489 /nfs/dbraw/zinc/06/54/89/525065489.db2.gz VOUSSFOAPKSCEW-HXUWFJFHSA-N 1 1 371.485 1.213 50 0 FDAAMO CCn1cnnc1C1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000095417380 525066832 /nfs/dbraw/zinc/06/68/32/525066832.db2.gz GLOCAAKZUNIOGO-UHFFFAOYSA-N 1 1 356.430 1.826 50 0 FDAAMO CCc1nc(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)cs1 ZINC000095400335 525066883 /nfs/dbraw/zinc/06/68/83/525066883.db2.gz BSVXAIKEYFXTQD-UHFFFAOYSA-N 1 1 354.520 1.736 50 0 FDAAMO Cc1nc2ccccc2nc1Cn1ncc(N2CCC[N@H+](C)CC2)cc1=O ZINC000095497700 525081067 /nfs/dbraw/zinc/08/10/67/525081067.db2.gz RPYFKDGMNVPUFE-UHFFFAOYSA-N 1 1 364.453 1.685 50 0 FDAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH+](C)C)cc2OC)CC1 ZINC000095512825 525094983 /nfs/dbraw/zinc/09/49/83/525094983.db2.gz UCRWOUYJDHWYBS-QGZVFWFLSA-N 1 1 351.491 1.134 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C[N@@H+]1C ZINC000096137330 525136455 /nfs/dbraw/zinc/13/64/55/525136455.db2.gz BSYZSJGWWWVUJV-AEFFLSMTSA-N 1 1 356.470 1.849 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C[N@H+]1C ZINC000096137330 525136468 /nfs/dbraw/zinc/13/64/68/525136468.db2.gz BSYZSJGWWWVUJV-AEFFLSMTSA-N 1 1 356.470 1.849 50 0 FDAAMO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccn[nH]2)CC1 ZINC000096153735 525142776 /nfs/dbraw/zinc/14/27/76/525142776.db2.gz HYKTZCMJRVGYRU-INIZCTEOSA-N 1 1 350.463 1.389 50 0 FDAAMO CCCn1c(=O)c2cc(C)ccc2n(CC(=O)N2CC[NH+](CC)CC2)c1=O ZINC000096318180 525159979 /nfs/dbraw/zinc/15/99/79/525159979.db2.gz WJYMTTUHFGRKRM-UHFFFAOYSA-N 1 1 372.469 1.046 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3[nH]nc4ccccc43)C2)cn1 ZINC000097137300 525174512 /nfs/dbraw/zinc/17/45/12/525174512.db2.gz CRHSTXSEAQQRRV-CQSZACIVSA-N 1 1 351.410 1.971 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3[nH]nc4ccccc43)C2)cn1 ZINC000097137300 525174519 /nfs/dbraw/zinc/17/45/19/525174519.db2.gz CRHSTXSEAQQRRV-CQSZACIVSA-N 1 1 351.410 1.971 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 ZINC000097402397 525181434 /nfs/dbraw/zinc/18/14/34/525181434.db2.gz RBQKTTVSXKEPGO-HNNXBMFYSA-N 1 1 350.434 1.604 50 0 FDAAMO O=S(=O)(N1CCCC1)N1CCC[N@H+](Cc2ccc3c(c2)OCO3)CC1 ZINC000097729823 525193088 /nfs/dbraw/zinc/19/30/88/525193088.db2.gz BSDTXEZCGXMFQT-UHFFFAOYSA-N 1 1 367.471 1.264 50 0 FDAAMO O=S(=O)(N1CCCC1)N1CCC[N@@H+](Cc2ccc3c(c2)OCO3)CC1 ZINC000097729823 525193101 /nfs/dbraw/zinc/19/31/01/525193101.db2.gz BSDTXEZCGXMFQT-UHFFFAOYSA-N 1 1 367.471 1.264 50 0 FDAAMO Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 ZINC000091645547 525669534 /nfs/dbraw/zinc/66/95/34/525669534.db2.gz DIJCGRZRLHRMEV-MRXNPFEDSA-N 1 1 356.470 1.830 50 0 FDAAMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091350595 525953136 /nfs/dbraw/zinc/95/31/36/525953136.db2.gz WFNMQMSZVRBXKR-IAGOWNOFSA-N 1 1 374.504 1.903 50 0 FDAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091350595 525953142 /nfs/dbraw/zinc/95/31/42/525953142.db2.gz WFNMQMSZVRBXKR-IAGOWNOFSA-N 1 1 374.504 1.903 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(C)n1C ZINC000091603785 526262797 /nfs/dbraw/zinc/26/27/97/526262797.db2.gz OGCIICXKMYPEMM-CYGHRXIMSA-N 1 1 363.502 1.432 50 0 FDAAMO O=C(C1CCC1)N1CCC(C(=O)N2CC[NH+](CCn3cccc3)CC2)CC1 ZINC000091416454 526293121 /nfs/dbraw/zinc/29/31/21/526293121.db2.gz LVXLLCXGIJXDRB-UHFFFAOYSA-N 1 1 372.513 1.671 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020623882 527339400 /nfs/dbraw/zinc/33/94/00/527339400.db2.gz SQMFLOOFHSMNFY-UHFFFAOYSA-N 1 1 362.433 1.810 50 0 FDAAMO CCCCN(C)S(=O)(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248731072 537209311 /nfs/dbraw/zinc/20/93/11/537209311.db2.gz LFSQXZUPMKQTCT-KRWDZBQOSA-N 1 1 354.520 1.812 50 0 FDAAMO CC(=O)N1CCc2nnc([C@@H]3CC[N@@H+](Cc4ccc(O)cc4)C3)n2CC1 ZINC000257190675 537252703 /nfs/dbraw/zinc/25/27/03/537252703.db2.gz NJRPCMMOXMNGCQ-MRXNPFEDSA-N 1 1 355.442 1.378 50 0 FDAAMO C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)C1=CC[N@@H+](C)CC1 ZINC000332833008 537285961 /nfs/dbraw/zinc/28/59/61/537285961.db2.gz GUFDLFQXUUJDHF-QANKJYHBSA-N 1 1 359.474 1.096 50 0 FDAAMO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(N3CCCS3(=O)=O)CC2)C1=O ZINC000334041253 537367535 /nfs/dbraw/zinc/36/75/35/537367535.db2.gz OMHFNVJSRDJPIP-MRXNPFEDSA-N 1 1 371.547 1.523 50 0 FDAAMO COc1cc2c(cc1CN1CC[NH+](CCN3CCOCC3)CC1)CCC2 ZINC000215150700 537434814 /nfs/dbraw/zinc/43/48/14/537434814.db2.gz SVQNOVDBLRUCPG-UHFFFAOYSA-N 1 1 359.514 1.634 50 0 FDAAMO CN1CCC([N@@H+]2CCC[C@H]2C(=O)N2CC(Oc3ccccc3F)C2)CC1 ZINC000221342733 537500906 /nfs/dbraw/zinc/50/09/06/537500906.db2.gz DBHPYLFKOMIMJF-SFHVURJKSA-N 1 1 361.461 1.974 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H]2C(=O)N2CC(Oc3ccccc3F)C2)CC1 ZINC000221342733 537500918 /nfs/dbraw/zinc/50/09/18/537500918.db2.gz DBHPYLFKOMIMJF-SFHVURJKSA-N 1 1 361.461 1.974 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)C3)cn1 ZINC000222267649 537504614 /nfs/dbraw/zinc/50/46/14/537504614.db2.gz NDNNWBHWKBKYGJ-AWEZNQCLSA-N 1 1 355.442 1.707 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@H]2CCC[N@H+](C)C2)CC3)cn1 ZINC000222267649 537504620 /nfs/dbraw/zinc/50/46/20/537504620.db2.gz NDNNWBHWKBKYGJ-AWEZNQCLSA-N 1 1 355.442 1.707 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC3)cn1 ZINC000222267649 537504626 /nfs/dbraw/zinc/50/46/26/537504626.db2.gz NDNNWBHWKBKYGJ-AWEZNQCLSA-N 1 1 355.442 1.707 50 0 FDAAMO Cc1nc2ccc(CC(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@H](O)C3)cc2[nH]1 ZINC000222234438 537504712 /nfs/dbraw/zinc/50/47/12/537504712.db2.gz GCUGHUCDKMDSPC-FRIZHTMISA-N 1 1 353.426 1.776 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000222373651 537506244 /nfs/dbraw/zinc/50/62/44/537506244.db2.gz GTROENGDRVPJEO-HZPDHXFCSA-N 1 1 359.536 1.286 50 0 FDAAMO Cn1cc(CC[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)cn1 ZINC000225401914 537545325 /nfs/dbraw/zinc/54/53/25/537545325.db2.gz FPNFYAWXDKCRCQ-UHFFFAOYSA-N 1 1 361.877 1.872 50 0 FDAAMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC000225702471 537556750 /nfs/dbraw/zinc/55/67/50/537556750.db2.gz HPQMIABFILNXTF-IBGZPJMESA-N 1 1 361.486 1.319 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC000225702471 537556755 /nfs/dbraw/zinc/55/67/55/537556755.db2.gz HPQMIABFILNXTF-IBGZPJMESA-N 1 1 361.486 1.319 50 0 FDAAMO Cc1csc(NC(=O)[C@H](C)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1 ZINC000244673943 537649784 /nfs/dbraw/zinc/64/97/84/537649784.db2.gz HYNBBWFGWHFAHQ-ZDUSSCGKSA-N 1 1 365.503 1.065 50 0 FDAAMO CC(=O)Nc1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)c1 ZINC000244748694 537652587 /nfs/dbraw/zinc/65/25/87/537652587.db2.gz OMOQDWLABCTMBE-PBHICJAKSA-N 1 1 358.442 1.574 50 0 FDAAMO CS(=O)(=O)N1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244873557 537653989 /nfs/dbraw/zinc/65/39/89/537653989.db2.gz WSBJRIDCRXWJPR-UHFFFAOYSA-N 1 1 374.462 1.978 50 0 FDAAMO OCCNc1nc(NCCc2nc3ccccc3o2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426674253 538120725 /nfs/dbraw/zinc/12/07/25/538120725.db2.gz LOSJRKLHKIDMQB-CYBMUJFWSA-N 1 1 369.425 1.024 50 0 FDAAMO CSc1cccc(CNc2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)c1 ZINC000426677387 538122425 /nfs/dbraw/zinc/12/24/25/538122425.db2.gz FFXMWVISBVHIKE-CQSZACIVSA-N 1 1 360.483 1.563 50 0 FDAAMO CN(C)C1(CNC(=O)N[C@@H](CO)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000426698162 538123302 /nfs/dbraw/zinc/12/33/02/538123302.db2.gz DAGQMTNSBKYTMA-INIZCTEOSA-N 1 1 352.454 1.184 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CCC(N)=O)C3)C2=O)c1 ZINC000426612928 538425445 /nfs/dbraw/zinc/42/54/45/538425445.db2.gz SHODQICHOACIKK-LJQANCHMSA-N 1 1 363.433 1.524 50 0 FDAAMO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000624137428 556542823 /nfs/dbraw/zinc/54/28/23/556542823.db2.gz LGRUJXRCPMIXLR-CABCVRRESA-N 1 1 365.499 1.589 50 0 FDAAMO CC[N@H+]1CCC[C@](C)(C(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000426490278 570607821 /nfs/dbraw/zinc/60/78/21/570607821.db2.gz VWZDOBCXBWOVGK-IBGZPJMESA-N 1 1 356.474 1.500 50 0 FDAAMO CNC(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000371100952 571075429 /nfs/dbraw/zinc/07/54/29/571075429.db2.gz RCUUFLXJNRITKH-GOSISDBHSA-N 1 1 374.485 1.443 50 0 FDAAMO C[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2CN2CCCC2=O)C[C@H](C)O1 ZINC000243932740 571113084 /nfs/dbraw/zinc/11/30/84/571113084.db2.gz BYXJUBVFRHLWSL-CALCHBBNSA-N 1 1 373.497 1.925 50 0 FDAAMO C[N@@H+](CCNc1cc([C@@H]2CCOC2)ncn1)Cc1ccc2c(c1)OCCO2 ZINC000426405453 571129024 /nfs/dbraw/zinc/12/90/24/571129024.db2.gz FKTVWLORUFQDCW-MRXNPFEDSA-N 1 1 370.453 2.296 50 0 FDAAMO CN(Cc1cc(C2CC2)n[nH]1)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426641403 571129084 /nfs/dbraw/zinc/12/90/84/571129084.db2.gz QYXLULOCYMXDBW-ZDUSSCGKSA-N 1 1 358.446 1.622 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 ZINC000252536028 571134090 /nfs/dbraw/zinc/13/40/90/571134090.db2.gz HMDOOEHTKNOJRB-UEXGIBASSA-N 1 1 373.497 1.187 50 0 FDAAMO COc1ccc([C@H](NC(=O)CCC[NH+]2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252537028 571134439 /nfs/dbraw/zinc/13/44/39/571134439.db2.gz KERBLEHTDQRSEG-FCEWJHQRSA-N 1 1 363.458 1.131 50 0 FDAAMO Cc1nn(CCCC(=O)N2CC[NH+](C)CC2)c(=O)c2cc3occc3n21 ZINC000020866290 571144291 /nfs/dbraw/zinc/14/42/91/571144291.db2.gz BROAKDRIBSEQET-UHFFFAOYSA-N 1 1 357.414 1.105 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299763659 571194001 /nfs/dbraw/zinc/19/40/01/571194001.db2.gz ZBWFUZXLINSYSS-UHFFFAOYSA-N 1 1 369.469 1.861 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299763659 571194002 /nfs/dbraw/zinc/19/40/02/571194002.db2.gz ZBWFUZXLINSYSS-UHFFFAOYSA-N 1 1 369.469 1.861 50 0 FDAAMO OC1CN(c2nc(NCCCc3ccccn3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299766314 571194912 /nfs/dbraw/zinc/19/49/12/571194912.db2.gz IKRWVCNEQQDNNH-CQSZACIVSA-N 1 1 355.442 1.601 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2O)CC1 ZINC000299774100 571196458 /nfs/dbraw/zinc/19/64/58/571196458.db2.gz GJKHRJYYBXGKLW-SFTDATJTSA-N 1 1 365.477 1.786 50 0 FDAAMO COc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(C)n2)cc1OCCC[NH3+] ZINC000299785970 571199606 /nfs/dbraw/zinc/19/96/06/571199606.db2.gz LFMIWWNKGLJFBB-CQSZACIVSA-N 1 1 359.430 1.827 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000299787963 571199796 /nfs/dbraw/zinc/19/97/96/571199796.db2.gz UJIPYKJMMWMCHN-UHFFFAOYSA-N 1 1 370.457 1.500 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccnn2-c2ccccc2)CC1 ZINC000299787963 571199799 /nfs/dbraw/zinc/19/97/99/571199799.db2.gz UJIPYKJMMWMCHN-UHFFFAOYSA-N 1 1 370.457 1.500 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)no1 ZINC000299787789 571199855 /nfs/dbraw/zinc/19/98/55/571199855.db2.gz ZPSKMTHXLJNFFM-GDBMZVCRSA-N 1 1 373.409 1.119 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2O)no1 ZINC000299787789 571199857 /nfs/dbraw/zinc/19/98/57/571199857.db2.gz ZPSKMTHXLJNFFM-GDBMZVCRSA-N 1 1 373.409 1.119 50 0 FDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299791706 571200955 /nfs/dbraw/zinc/20/09/55/571200955.db2.gz HMCPTUOXMYVITE-UONOGXRCSA-N 1 1 359.430 1.613 50 0 FDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299791706 571200958 /nfs/dbraw/zinc/20/09/58/571200958.db2.gz HMCPTUOXMYVITE-UONOGXRCSA-N 1 1 359.430 1.613 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ncccn3)c2)C1 ZINC000299792963 571201360 /nfs/dbraw/zinc/20/13/60/571201360.db2.gz HOVJRQSUVORSNF-MRXNPFEDSA-N 1 1 353.426 1.071 50 0 FDAAMO Cn1cc(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000299792780 571201406 /nfs/dbraw/zinc/20/14/06/571201406.db2.gz GXAQQEQYZWUFDT-HNNXBMFYSA-N 1 1 356.426 1.128 50 0 FDAAMO OC1CN(c2nc(NCCCc3cccnc3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299795352 571201925 /nfs/dbraw/zinc/20/19/25/571201925.db2.gz MBCCRKGTMJKQBM-OAHLLOKOSA-N 1 1 355.442 1.601 50 0 FDAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000426359582 571215015 /nfs/dbraw/zinc/21/50/15/571215015.db2.gz HIZIMQWVLKXCMS-LJQANCHMSA-N 1 1 360.502 1.620 50 0 FDAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000426359582 571215016 /nfs/dbraw/zinc/21/50/16/571215016.db2.gz HIZIMQWVLKXCMS-LJQANCHMSA-N 1 1 360.502 1.620 50 0 FDAAMO C[N@H+]1CC[C@](C)(CNC(=O)N2CCN(CCc3ccccc3)C(=O)C2)C1 ZINC000426399368 571220286 /nfs/dbraw/zinc/22/02/86/571220286.db2.gz HLWJKKDVLDUVDZ-HXUWFJFHSA-N 1 1 358.486 1.425 50 0 FDAAMO CC(C)(C)C[N@H+]1CCC[C@]2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC000426423401 571223715 /nfs/dbraw/zinc/22/37/15/571223715.db2.gz LIMFNKMUBILLLV-LJQANCHMSA-N 1 1 358.490 1.752 50 0 FDAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCOCCO)C3)C2=O)c1 ZINC000426428397 571224203 /nfs/dbraw/zinc/22/42/03/571224203.db2.gz UCJMADPNUHWWRQ-FQEVSTJZSA-N 1 1 362.470 1.519 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3cncnc3)cc2)C1 ZINC000426442033 571225532 /nfs/dbraw/zinc/22/55/32/571225532.db2.gz UTBQETHBZIMOCR-QGZVFWFLSA-N 1 1 367.453 1.461 50 0 FDAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[N@H+]1CCCOCC1 ZINC000012208646 571312748 /nfs/dbraw/zinc/31/27/48/571312748.db2.gz GIBOPKRPBYJXRJ-GOSISDBHSA-N 1 1 354.397 1.541 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c(C)c1C ZINC000670452936 571352894 /nfs/dbraw/zinc/35/28/94/571352894.db2.gz SZMIVTBEMHWSMD-INIZCTEOSA-N 1 1 370.515 1.603 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](CO)C2)c(C)c1C ZINC000670452936 571352895 /nfs/dbraw/zinc/35/28/95/571352895.db2.gz SZMIVTBEMHWSMD-INIZCTEOSA-N 1 1 370.515 1.603 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@H](O)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000015077775 670627062 /nfs/dbraw/zinc/62/70/62/670627062.db2.gz GQEYISRCJSUHHH-HNNXBMFYSA-N 1 1 363.849 1.166 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccoc3)cc2)CC[NH2+]1 ZINC000091849174 671513728 /nfs/dbraw/zinc/51/37/28/671513728.db2.gz YIZMHWOKAYLBQB-CYBMUJFWSA-N 1 1 363.439 1.192 50 0 FDAAMO COc1cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)ccc1OC(F)F ZINC000172799987 672072316 /nfs/dbraw/zinc/07/23/16/672072316.db2.gz NWPKOCUCNREWMM-UHFFFAOYSA-N 1 1 351.353 1.949 50 0 FDAAMO COc1cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)ccc1OC(F)F ZINC000172799987 672072318 /nfs/dbraw/zinc/07/23/18/672072318.db2.gz NWPKOCUCNREWMM-UHFFFAOYSA-N 1 1 351.353 1.949 50 0 FDAAMO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426503052 680959149 /nfs/dbraw/zinc/95/91/49/680959149.db2.gz DLLVKRFYUXFXEW-ZIAGYGMSSA-N 1 1 350.444 1.422 50 0 FDAAMO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426503052 680959151 /nfs/dbraw/zinc/95/91/51/680959151.db2.gz DLLVKRFYUXFXEW-ZIAGYGMSSA-N 1 1 350.444 1.422 50 0 FDAAMO CN1CCN(CCNC(=O)N(CC[NH+](C)C)Cc2ccsc2)CC1 ZINC000426546308 680960188 /nfs/dbraw/zinc/96/01/88/680960188.db2.gz ZAADMLWGOBYEJI-UHFFFAOYSA-N 1 1 353.536 1.069 50 0 FDAAMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCc2occc2C1 ZINC000288737760 772098805 /nfs/dbraw/zinc/09/88/05/772098805.db2.gz HDIDPJLPZBOCFC-OAHLLOKOSA-N 1 1 355.442 1.555 50 0 FDAAMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCc2occc2C1 ZINC000288737760 772098810 /nfs/dbraw/zinc/09/88/10/772098810.db2.gz HDIDPJLPZBOCFC-OAHLLOKOSA-N 1 1 355.442 1.555 50 0 FDAAMO COc1cccc(C[N@@H+]2CC[C@@H](c3nnc4n3CCN(C)CC4)C2)c1OC ZINC000257188299 793968707 /nfs/dbraw/zinc/96/87/07/793968707.db2.gz FDTGNUHSYASGEO-MRXNPFEDSA-N 1 1 371.485 1.773 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@@H](c3nnc4n3CCN(C)CC4)C2)c1OC ZINC000257188299 793968710 /nfs/dbraw/zinc/96/87/10/793968710.db2.gz FDTGNUHSYASGEO-MRXNPFEDSA-N 1 1 371.485 1.773 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc4n(n3)CCCNC4=O)C2)c(C)n1 ZINC000675008537 795198653 /nfs/dbraw/zinc/19/86/53/795198653.db2.gz FOGJJWLCECMSIG-OAHLLOKOSA-N 1 1 356.474 1.921 50 0 FDAAMO CNC(=O)CN(C)C(=O)[C@@H]1OCC[N@@H+](C2CCCC2)[C@H]1c1ccccc1 ZINC000675010242 795206818 /nfs/dbraw/zinc/20/68/18/795206818.db2.gz HIQGEOIFFMDEPR-RBUKOAKNSA-N 1 1 359.470 1.576 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@H]2C1=O ZINC000169751566 864483830 /nfs/dbraw/zinc/48/38/30/864483830.db2.gz JCKGABQECKPJKU-BETUJISGSA-N 1 1 372.343 1.648 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000011934914 872636145 /nfs/dbraw/zinc/63/61/45/872636145.db2.gz TYEUYOXSMVCSQO-CQSZACIVSA-N 1 1 361.442 1.268 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000011934914 872636153 /nfs/dbraw/zinc/63/61/53/872636153.db2.gz TYEUYOXSMVCSQO-CQSZACIVSA-N 1 1 361.442 1.268 50 0 FDAAMO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cnccn2)no1 ZINC000011998475 873079320 /nfs/dbraw/zinc/07/93/20/873079320.db2.gz UCEHHUCHGBDZFB-CQSZACIVSA-N 1 1 356.430 1.894 50 0 FDAAMO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1nc(-c2cnccn2)no1 ZINC000011998475 873079333 /nfs/dbraw/zinc/07/93/33/873079333.db2.gz UCEHHUCHGBDZFB-CQSZACIVSA-N 1 1 356.430 1.894 50 0 FDAAMO C[C@H](CCn1cccn1)[N@H+]1CCOC2(CCN(Cc3nccn3C)CC2)C1 ZINC000821758559 919993850 /nfs/dbraw/zinc/99/38/50/919993850.db2.gz JRXXCLYEAQWOLX-GOSISDBHSA-N 1 1 372.517 1.762 50 0 FDAAMO COc1c[nH]c(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)cc1=O ZINC000824528326 923029076 /nfs/dbraw/zinc/02/90/76/923029076.db2.gz XQBLTOXDAFXMAS-OAHLLOKOSA-N 1 1 355.438 1.911 50 0 FDAAMO O=C1CC[C@@H]([N@H+]2CCOC3(CCN(Cc4nccs4)CC3)C2)CCN1 ZINC000828305435 924872880 /nfs/dbraw/zinc/87/28/80/924872880.db2.gz OHGZYPSFPHYNFA-OAHLLOKOSA-N 1 1 364.515 1.479 50 0 FDAAMO COc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CC[N@H+](C)C4)C2)cc1 ZINC000581792961 927593139 /nfs/dbraw/zinc/59/31/39/927593139.db2.gz WWISZXQKEDQCQH-OAHLLOKOSA-N 1 1 355.442 1.752 50 0 FDAAMO CN(C)c1nc(N2CCN(c3nnc(-c4ccon4)s3)CC2)cc[nH+]1 ZINC000952845425 960141870 /nfs/dbraw/zinc/14/18/70/960141870.db2.gz QCCBGAGVQNPVKD-UHFFFAOYSA-N 1 1 358.431 1.376 50 0 FDAAMO CCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](CCOC)C2)cc1Cl ZINC000952862783 960196731 /nfs/dbraw/zinc/19/67/31/960196731.db2.gz QKUHJOKRVLEUGA-LBPRGKRZSA-N 1 1 353.850 1.997 50 0 FDAAMO COCC(=O)Nc1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000952971906 960266160 /nfs/dbraw/zinc/26/61/60/960266160.db2.gz LSGPDAWTUUDLHT-LBPRGKRZSA-N 1 1 368.865 1.499 50 0 FDAAMO COc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952975483 960270986 /nfs/dbraw/zinc/27/09/86/960270986.db2.gz YVBUDWVJNRGWBY-AEFFLSMTSA-N 1 1 359.470 1.946 50 0 FDAAMO CC(C)C[N@H+]1CCN(C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1CCO ZINC000952968564 960283946 /nfs/dbraw/zinc/28/39/46/960283946.db2.gz MGWRHIIZHIXVQE-IBGZPJMESA-N 1 1 351.535 1.802 50 0 FDAAMO CC(C)CN1CC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1CCO ZINC000952968564 960283955 /nfs/dbraw/zinc/28/39/55/960283955.db2.gz MGWRHIIZHIXVQE-IBGZPJMESA-N 1 1 351.535 1.802 50 0 FDAAMO CC(C)CN1CC[N@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1CCO ZINC000952968564 960283963 /nfs/dbraw/zinc/28/39/63/960283963.db2.gz MGWRHIIZHIXVQE-IBGZPJMESA-N 1 1 351.535 1.802 50 0 FDAAMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCCC[N@H+]2C)c2nonc21 ZINC000952981613 960295474 /nfs/dbraw/zinc/29/54/74/960295474.db2.gz JIBJEFBPCDZPBU-CYBMUJFWSA-N 1 1 352.460 1.944 50 0 FDAAMO CC(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)C[NH+](C)C)c(C)c2)C1 ZINC000952990743 960317540 /nfs/dbraw/zinc/31/75/40/960317540.db2.gz XZASTUKHABDVKN-HNNXBMFYSA-N 1 1 360.458 1.692 50 0 FDAAMO O[C@@H](C[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1)COC1CCCCC1 ZINC000096162781 1015054087 /nfs/dbraw/zinc/05/40/87/1015054087.db2.gz YBGQRGLLTZIDAL-HNNXBMFYSA-N 1 1 374.489 1.622 50 0 FDAAMO C[C@H](SC1=NN/C(=C2/C=c3ccccc3=[NH+]2)N1c1ccccc1)C(N)=O ZINC000105521442 998944361 /nfs/dbraw/zinc/94/43/61/998944361.db2.gz VZLDQDSZUGSXCK-FRTIYWTKSA-N 1 1 363.446 1.257 50 0 FDAAMO COc1cccc([C@H](O)C[NH+]2CCN(c3ccc4nnc(C)n4n3)CC2)c1 ZINC000115542422 999631652 /nfs/dbraw/zinc/63/16/52/999631652.db2.gz SRMYOENOTPFJLL-QGZVFWFLSA-N 1 1 368.441 1.297 50 0 FDAAMO Cc1ccc[nH+]c1NCCNC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000534651199 540394808 /nfs/dbraw/zinc/39/48/08/540394808.db2.gz ZMVYBLALUGENEC-UHFFFAOYSA-N 1 1 356.430 1.298 50 0 FDAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000001846088 204021115 /nfs/dbraw/zinc/02/11/15/204021115.db2.gz NTJOBXMMWNYJFB-LBPRGKRZSA-N 1 1 369.487 1.285 50 0 world FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC ZINC000001846088 204021119 /nfs/dbraw/zinc/02/11/19/204021119.db2.gz NTJOBXMMWNYJFB-LBPRGKRZSA-N 1 1 369.487 1.285 50 0 world FDAAMO CNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000006949388 204283524 /nfs/dbraw/zinc/28/35/24/204283524.db2.gz OYGQNZSBCYBWDD-AWEZNQCLSA-N 1 1 351.428 1.220 50 0 FDAAMO CC(=O)NCc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)s1 ZINC000009322014 204363588 /nfs/dbraw/zinc/36/35/88/204363588.db2.gz REYLUUICCIUZFV-SSDOTTSWSA-N 1 1 351.457 1.702 50 0 FDAAMO CC[N@H+](CCO)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000039515323 205046475 /nfs/dbraw/zinc/04/64/75/205046475.db2.gz BXUDFRZHSHAWAC-KRWDZBQOSA-N 1 1 354.516 1.289 50 0 FDAAMO CC[N@@H+](CCO)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000039515323 205046478 /nfs/dbraw/zinc/04/64/78/205046478.db2.gz BXUDFRZHSHAWAC-KRWDZBQOSA-N 1 1 354.516 1.289 50 0 FDAAMO CNc1ncc(CN(C)C(=O)c2cc3n(n2)CCC[N@@H+](C(C)C)C3)cn1 ZINC000065506159 205357068 /nfs/dbraw/zinc/35/70/68/205357068.db2.gz LVSAIBBOVWHZEU-UHFFFAOYSA-N 1 1 357.462 1.601 50 0 FDAAMO CNc1ncc(CN(C)C(=O)c2cc3n(n2)CCC[N@H+](C(C)C)C3)cn1 ZINC000065506159 205357071 /nfs/dbraw/zinc/35/70/71/205357071.db2.gz LVSAIBBOVWHZEU-UHFFFAOYSA-N 1 1 357.462 1.601 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312311 205336568 /nfs/dbraw/zinc/33/65/68/205336568.db2.gz QSHVWGBEOWSLBJ-CYBMUJFWSA-N 1 1 362.865 1.373 50 0 FDAAMO Cc1ccc(S(=O)(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)cc1 ZINC000065362146 205338278 /nfs/dbraw/zinc/33/82/78/205338278.db2.gz WUAHBLFUNPZXPI-UHFFFAOYSA-N 1 1 372.454 1.670 50 0 FDAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cnc2ccccn2c1=O ZINC000065405595 205347455 /nfs/dbraw/zinc/34/74/55/205347455.db2.gz UNCOHKZIYVEKAW-OAHLLOKOSA-N 1 1 362.433 1.871 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1ccc3cccnc3c1O)CC2 ZINC000067514608 205374138 /nfs/dbraw/zinc/37/41/38/205374138.db2.gz BFAOPIKMKOHQLW-UHFFFAOYSA-N 1 1 354.454 1.792 50 0 FDAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1C ZINC000067562808 205374720 /nfs/dbraw/zinc/37/47/20/205374720.db2.gz YRYWVWYQILQCSU-CQSZACIVSA-N 1 1 371.437 1.784 50 0 FDAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1C ZINC000067562808 205374725 /nfs/dbraw/zinc/37/47/25/205374725.db2.gz YRYWVWYQILQCSU-CQSZACIVSA-N 1 1 371.437 1.784 50 0 FDAAMO Cc1nc(-n2ccnc2)cc(N2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000067602113 205376486 /nfs/dbraw/zinc/37/64/86/205376486.db2.gz JYAZEDJUXRKRBI-UHFFFAOYSA-N 1 1 362.437 1.862 50 0 FDAAMO Cc1ccc(NC(=O)CC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)cc1 ZINC000067726136 205387881 /nfs/dbraw/zinc/38/78/81/205387881.db2.gz SAHKQUYEPAZFTB-UHFFFAOYSA-N 1 1 372.513 1.952 50 0 FDAAMO Cc1ccc(NC(=O)CC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000067726136 205387885 /nfs/dbraw/zinc/38/78/85/205387885.db2.gz SAHKQUYEPAZFTB-UHFFFAOYSA-N 1 1 372.513 1.952 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CC[N@H+](C)[C@H]3CCN(C)C3)CC2)nc1 ZINC000067756777 205389036 /nfs/dbraw/zinc/38/90/36/205389036.db2.gz KWRKDTHOAMOGBB-KRWDZBQOSA-N 1 1 360.502 1.226 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CCN(C)[C@H]3CC[N@H+](C)C3)CC2)nc1 ZINC000067756777 205389042 /nfs/dbraw/zinc/38/90/42/205389042.db2.gz KWRKDTHOAMOGBB-KRWDZBQOSA-N 1 1 360.502 1.226 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CCN(C)[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000067756777 205389045 /nfs/dbraw/zinc/38/90/45/205389045.db2.gz KWRKDTHOAMOGBB-KRWDZBQOSA-N 1 1 360.502 1.226 50 0 FDAAMO Cc1c(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)ccn1C ZINC000091416704 205673145 /nfs/dbraw/zinc/67/31/45/205673145.db2.gz WRFIOXYUCOIIJU-KRWDZBQOSA-N 1 1 372.513 1.882 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091973814 205707520 /nfs/dbraw/zinc/70/75/20/205707520.db2.gz JOWXMIDEAGKTEF-FQEVSTJZSA-N 1 1 365.518 1.738 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091973814 205707524 /nfs/dbraw/zinc/70/75/24/205707524.db2.gz JOWXMIDEAGKTEF-FQEVSTJZSA-N 1 1 365.518 1.738 50 0 FDAAMO COc1cccc(COCC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000106076995 206013484 /nfs/dbraw/zinc/01/34/84/206013484.db2.gz FPRIYJDLOXJUIT-OAGGEKHMSA-N 1 1 350.459 1.826 50 0 FDAAMO COc1cccc(COCC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000106076995 206013489 /nfs/dbraw/zinc/01/34/89/206013489.db2.gz FPRIYJDLOXJUIT-OAGGEKHMSA-N 1 1 350.459 1.826 50 0 FDAAMO O=C(CN1CCC[C@@H](O)C1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000106952378 206016826 /nfs/dbraw/zinc/01/68/26/206016826.db2.gz FVXAOQYDWVGBQW-HXUWFJFHSA-N 1 1 357.498 1.145 50 0 FDAAMO CCCC[N@@H+](CCO)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008428543 206215565 /nfs/dbraw/zinc/21/55/65/206215565.db2.gz DFCQMGPSDOHJGL-OAHLLOKOSA-N 1 1 355.431 1.316 50 0 FDAAMO O=S(=O)(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCCCCC1 ZINC000014731099 206312345 /nfs/dbraw/zinc/31/23/45/206312345.db2.gz AVIWULWAFKDJBC-UHFFFAOYSA-N 1 1 367.515 1.729 50 0 FDAAMO COc1cc(Cl)cc(CN2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c1OC ZINC000215649851 206350201 /nfs/dbraw/zinc/35/02/01/206350201.db2.gz APVJLFTTZUADLN-HOTGVXAUSA-N 1 1 369.893 1.150 50 0 FDAAMO O=C(COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1)NC[C@H]1CCCO1 ZINC000216226146 206356145 /nfs/dbraw/zinc/35/61/45/206356145.db2.gz QOSSCTXQNIKXKJ-GOSISDBHSA-N 1 1 370.453 1.642 50 0 FDAAMO O=C(COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1)NC[C@H]1CCCO1 ZINC000216226146 206356149 /nfs/dbraw/zinc/35/61/49/206356149.db2.gz QOSSCTXQNIKXKJ-GOSISDBHSA-N 1 1 370.453 1.642 50 0 FDAAMO Cc1cc(C)n(CCNC(=O)[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)c(=O)n1 ZINC000218836076 206375357 /nfs/dbraw/zinc/37/53/57/206375357.db2.gz RFHLHPQCQTZTKJ-KRWDZBQOSA-N 1 1 372.425 1.008 50 0 FDAAMO O=C(NCCO)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908041 206396182 /nfs/dbraw/zinc/39/61/82/206396182.db2.gz XFRBAMWGAWJODE-MRXNPFEDSA-N 1 1 373.478 1.072 50 0 FDAAMO O=C(NCCO)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908041 206396185 /nfs/dbraw/zinc/39/61/85/206396185.db2.gz XFRBAMWGAWJODE-MRXNPFEDSA-N 1 1 373.478 1.072 50 0 FDAAMO OCC[NH+]1CCN(C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000022918018 206396337 /nfs/dbraw/zinc/39/63/37/206396337.db2.gz QORJGFMQASCGDC-LJQANCHMSA-N 1 1 356.466 1.703 50 0 FDAAMO OCCN1CC[NH+](C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000022918018 206396341 /nfs/dbraw/zinc/39/63/41/206396341.db2.gz QORJGFMQASCGDC-LJQANCHMSA-N 1 1 356.466 1.703 50 0 FDAAMO CN(Cc1ccccc1-n1cccn1)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000220310115 206399624 /nfs/dbraw/zinc/39/96/24/206399624.db2.gz WCQAOIPJYYQVKI-GOSISDBHSA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1ccccc1-n1cccn1)C(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000220310115 206399628 /nfs/dbraw/zinc/39/96/28/206399628.db2.gz WCQAOIPJYYQVKI-GOSISDBHSA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1ccccc1-n1cccn1)C(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000220310115 206399634 /nfs/dbraw/zinc/39/96/34/206399634.db2.gz WCQAOIPJYYQVKI-GOSISDBHSA-N 1 1 355.486 1.857 50 0 FDAAMO CC(=O)c1cc(C(=O)N2CCN(c3[nH+]cccc3C)CC2)c(=O)[nH]c1C ZINC000077516829 132188275 /nfs/dbraw/zinc/18/82/75/132188275.db2.gz IJOLRKUZHGPAMY-UHFFFAOYSA-N 1 1 354.410 1.552 50 0 FDAAMO CN(C)c1nc(N2CCC3(C[NH2+][C@@H](C(=O)[O-])C3)CC2)c2c([nH+]1)CCCC2 ZINC000091770474 132203616 /nfs/dbraw/zinc/20/36/16/132203616.db2.gz OEBFVYSGEFGKGO-OAHLLOKOSA-N 1 1 359.474 1.455 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000095355192 132207197 /nfs/dbraw/zinc/20/71/97/132207197.db2.gz DJTTURYUQKGQLI-MRXNPFEDSA-N 1 1 359.474 1.016 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2ncccn2)CC1 ZINC000095359316 132207499 /nfs/dbraw/zinc/20/74/99/132207499.db2.gz ZRAOFWSNYDHAQG-INIZCTEOSA-N 1 1 355.442 1.630 50 0 FDAAMO C[C@H]1Oc2ccc(NC(=O)NCCC[NH+]3CCOCC3)cc2N(C)C1=O ZINC000095518820 132213856 /nfs/dbraw/zinc/21/38/56/132213856.db2.gz TXXRHFYNFPWVEK-CYBMUJFWSA-N 1 1 362.430 1.274 50 0 FDAAMO Cc1ccc(C(N)=O)c(N2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000106967085 132240813 /nfs/dbraw/zinc/24/08/13/132240813.db2.gz OAVLDJFRDRYRIS-SFHVURJKSA-N 1 1 368.481 1.605 50 0 FDAAMO CC(C)[NH+]1CCC(N2CCN(c3ncnc4[nH]cnc43)C[C@H]2CCO)CC1 ZINC000106969329 132265992 /nfs/dbraw/zinc/26/59/92/132265992.db2.gz ZTODGVARYLCWKM-MRXNPFEDSA-N 1 1 373.505 1.099 50 0 FDAAMO CSCCN1CCN(c2cc(C3CC([NH3+])C3)nc(N(C)C)n2)CC1 ZINC000222722729 132277391 /nfs/dbraw/zinc/27/73/91/132277391.db2.gz CWFKIQADLJEZMT-UHFFFAOYSA-N 1 1 350.536 1.232 50 0 FDAAMO Cc1cc(N2CCN(CCC(=O)NCc3cccs3)CC2)nc(N)[nH+]1 ZINC000244795083 132290730 /nfs/dbraw/zinc/29/07/30/132290730.db2.gz QZFKYZWWXUDXCC-UHFFFAOYSA-N 1 1 360.487 1.257 50 0 FDAAMO COc1nccnc1N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071747028 136139952 /nfs/dbraw/zinc/13/99/52/136139952.db2.gz FVYQUSCKMDPKBL-AWEZNQCLSA-N 1 1 359.474 1.445 50 0 FDAAMO COc1ccccc1N1CCC([N@H+]2CCN[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000072131909 136142187 /nfs/dbraw/zinc/14/21/87/136142187.db2.gz WGRTUQBVUDYNDN-QGZVFWFLSA-N 1 1 358.486 1.216 50 0 FDAAMO Cc1ccc(-c2ccnc(N3CC[NH2+][C@H](C(=O)NC4CC4)C3)n2)c(C)n1 ZINC000072154593 136143039 /nfs/dbraw/zinc/14/30/39/136143039.db2.gz SJFMTTICELORBM-KRWDZBQOSA-N 1 1 352.442 1.212 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)COc3ccccc3)CC2)[nH+]1 ZINC000072437464 136147529 /nfs/dbraw/zinc/14/75/29/136147529.db2.gz XBUVFIBBADACQQ-UHFFFAOYSA-N 1 1 355.442 1.579 50 0 FDAAMO O=C(CCc1cccnc1)N1CC[NH2+]C[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000072150922 518198394 /nfs/dbraw/zinc/19/83/94/518198394.db2.gz MZNWDVKPIAYUJW-KRWDZBQOSA-N 1 1 356.401 1.592 50 0 FDAAMO CCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011667910 518568110 /nfs/dbraw/zinc/56/81/10/518568110.db2.gz PXEQGKOZIAQISZ-MRXNPFEDSA-N 1 1 373.501 1.604 50 0 FDAAMO O=C(NCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012591964 518623607 /nfs/dbraw/zinc/62/36/07/518623607.db2.gz YGBZPUUWYZAYHL-CYBMUJFWSA-N 1 1 361.408 1.778 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[N@@H+]3CCNC(=O)C3(C)C)C2=O)c1 ZINC000012704926 518627557 /nfs/dbraw/zinc/62/75/57/518627557.db2.gz FMYJXPJWZYQQCH-FQEVSTJZSA-N 1 1 359.470 1.059 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[N@H+]3CCNC(=O)C3(C)C)C2=O)c1 ZINC000012704926 518627561 /nfs/dbraw/zinc/62/75/61/518627561.db2.gz FMYJXPJWZYQQCH-FQEVSTJZSA-N 1 1 359.470 1.059 50 0 FDAAMO CN(c1ncccc1CNC(=O)C[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000012716074 518629251 /nfs/dbraw/zinc/62/92/51/518629251.db2.gz PESNWANGBHVRBL-UHFFFAOYSA-N 1 1 360.502 1.923 50 0 FDAAMO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012743276 518631576 /nfs/dbraw/zinc/63/15/76/518631576.db2.gz MWAMATVTOQNEPE-BFHYXJOUSA-N 1 1 354.472 1.380 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012916389 518642259 /nfs/dbraw/zinc/64/22/59/518642259.db2.gz AZCSMXZGLRJEMX-UHFFFAOYSA-N 1 1 351.450 1.962 50 0 FDAAMO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([N@@H+](C)CCO)C2 ZINC000014749563 518698442 /nfs/dbraw/zinc/69/84/42/518698442.db2.gz AQIPUQRRAFJCAC-AWEZNQCLSA-N 1 1 360.433 1.271 50 0 FDAAMO Cn1c(=O)cc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)n(C)c1=O ZINC000015065403 518706554 /nfs/dbraw/zinc/70/65/54/518706554.db2.gz CHYHACBTIXQBSA-AWEZNQCLSA-N 1 1 362.474 1.001 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015989548 518741649 /nfs/dbraw/zinc/74/16/49/518741649.db2.gz ZXXJFGRXHYTOFZ-MANSERQUSA-N 1 1 373.412 1.683 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015989548 518741658 /nfs/dbraw/zinc/74/16/58/518741658.db2.gz ZXXJFGRXHYTOFZ-MANSERQUSA-N 1 1 373.412 1.683 50 0 FDAAMO C[NH+]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000016625900 518765109 /nfs/dbraw/zinc/76/51/09/518765109.db2.gz CNZFIUFOJSTTNU-UHFFFAOYSA-N 1 1 365.499 1.178 50 0 FDAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000019720649 518832954 /nfs/dbraw/zinc/83/29/54/518832954.db2.gz DKPLSRFOWKWTJT-INIZCTEOSA-N 1 1 352.479 1.501 50 0 FDAAMO OCC[NH+]1CCN(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019770983 518836498 /nfs/dbraw/zinc/83/64/98/518836498.db2.gz CKNAGKLOJXSPJL-DIGXMAGLSA-N 1 1 366.546 1.580 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000019890076 518840132 /nfs/dbraw/zinc/84/01/32/518840132.db2.gz JRUIFWHBVYPSGG-MRXNPFEDSA-N 1 1 365.499 1.170 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)n1 ZINC000020207481 518844773 /nfs/dbraw/zinc/84/47/73/518844773.db2.gz MNJVCILTCMDRGI-OAHLLOKOSA-N 1 1 356.474 1.873 50 0 FDAAMO OCC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 ZINC000020149989 518845729 /nfs/dbraw/zinc/84/57/29/518845729.db2.gz UQRFSMXCCFREHO-UHFFFAOYSA-N 1 1 358.833 1.583 50 0 FDAAMO CO[C@@H]1CN(Cc2cccnc2)C(=O)C[N@H+](C2Cc3ccccc3C2)C1 ZINC000020137959 518845822 /nfs/dbraw/zinc/84/58/22/518845822.db2.gz MAYNUFRVFJBRHK-FQEVSTJZSA-N 1 1 351.450 1.908 50 0 FDAAMO COc1cc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc2c1OCO2 ZINC000020448681 518849887 /nfs/dbraw/zinc/84/98/87/518849887.db2.gz CMEHFQUBUFMJBM-AWEZNQCLSA-N 1 1 372.425 1.925 50 0 FDAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc2c1OCO2 ZINC000020448681 518849893 /nfs/dbraw/zinc/84/98/93/518849893.db2.gz CMEHFQUBUFMJBM-AWEZNQCLSA-N 1 1 372.425 1.925 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000020902642 518858857 /nfs/dbraw/zinc/85/88/57/518858857.db2.gz KKKJWSIIKSTRJR-OAHLLOKOSA-N 1 1 370.428 1.994 50 0 FDAAMO Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000020938443 518860703 /nfs/dbraw/zinc/86/07/03/518860703.db2.gz BTDUNEAXBAJNQB-UHFFFAOYSA-N 1 1 367.453 1.516 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000020982283 518862667 /nfs/dbraw/zinc/86/26/67/518862667.db2.gz WIHBHSLZYGTJIL-ZDUSSCGKSA-N 1 1 365.499 1.703 50 0 FDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc32)C[C@H](C)O1 ZINC000021526042 518875958 /nfs/dbraw/zinc/87/59/58/518875958.db2.gz ROTFGMUSMABANP-KBPBESRZSA-N 1 1 372.469 1.551 50 0 FDAAMO Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793873 518881955 /nfs/dbraw/zinc/88/19/55/518881955.db2.gz UERYQIKSHDWDKH-UHFFFAOYSA-N 1 1 357.414 1.177 50 0 FDAAMO COc1ccc(CNc2nc(N3CC[NH+](C)CC3)nc3c2cnn3C)cc1 ZINC000021929327 518887721 /nfs/dbraw/zinc/88/77/21/518887721.db2.gz WNVGMCZDLYYRFC-UHFFFAOYSA-N 1 1 367.457 1.736 50 0 FDAAMO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811818 518914748 /nfs/dbraw/zinc/91/47/48/518914748.db2.gz DICORDXSVDFUNY-SJORKVTESA-N 1 1 366.550 1.604 50 0 FDAAMO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811818 518914752 /nfs/dbraw/zinc/91/47/52/518914752.db2.gz DICORDXSVDFUNY-SJORKVTESA-N 1 1 366.550 1.604 50 0 FDAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000023640303 518959727 /nfs/dbraw/zinc/95/97/27/518959727.db2.gz JZRGHWFEQCUHQC-SJORKVTESA-N 1 1 351.443 1.840 50 0 FDAAMO Cc1cc(NC(=O)CC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)no1 ZINC000024250180 518985051 /nfs/dbraw/zinc/98/50/51/518985051.db2.gz YPEZWOHMNKTKBF-UHFFFAOYSA-N 1 1 371.441 1.568 50 0 FDAAMO NC(=O)NCc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000024621452 519000742 /nfs/dbraw/zinc/00/07/42/519000742.db2.gz LUMMBPBHAYDPTM-UHFFFAOYSA-N 1 1 366.465 1.855 50 0 FDAAMO Cc1ccc(N2CC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2=O)cc1F ZINC000034696373 519596194 /nfs/dbraw/zinc/59/61/94/519596194.db2.gz LVDHEFKGFRKKSK-INIZCTEOSA-N 1 1 363.433 1.326 50 0 FDAAMO CC(C)[C@H]1C[N@H+](CC(=O)NC2CCCCCC2)C[C@@H]1NS(C)(=O)=O ZINC000091649895 519826568 /nfs/dbraw/zinc/82/65/68/519826568.db2.gz XDPHBTRAAQKHKB-CVEARBPZSA-N 1 1 359.536 1.331 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](CC(=O)NC2CCCCCC2)C[C@@H]1NS(C)(=O)=O ZINC000091649895 519826569 /nfs/dbraw/zinc/82/65/69/519826569.db2.gz XDPHBTRAAQKHKB-CVEARBPZSA-N 1 1 359.536 1.331 50 0 FDAAMO CCCOCC(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091390773 520233367 /nfs/dbraw/zinc/23/33/67/520233367.db2.gz SAVGWSCXCASJHX-INIZCTEOSA-N 1 1 351.491 1.348 50 0 FDAAMO CC[NH+](CC)CCCNC(C)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020357449 520596283 /nfs/dbraw/zinc/59/62/83/520596283.db2.gz GXXZAEDMHKRVMI-JQIJEIRASA-N 1 1 364.490 1.993 50 0 FDAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3CC3)cc2OC)CC1 ZINC000020997318 521684545 /nfs/dbraw/zinc/68/45/45/521684545.db2.gz YNQYEHUVGLAQSO-GOSISDBHSA-N 1 1 363.502 1.324 50 0 FDAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCSC)c2)CC1 ZINC000019792428 521687390 /nfs/dbraw/zinc/68/73/90/521687390.db2.gz QFDQELONMODSHH-SFHVURJKSA-N 1 1 367.559 1.516 50 0 FDAAMO C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)S(=O)(=O)c1ccc(F)cc1 ZINC000069415920 521875449 /nfs/dbraw/zinc/87/54/49/521875449.db2.gz ZYMMAPDCLMIDNN-DAXOMENPSA-N 1 1 354.447 1.731 50 0 FDAAMO CN(C)[C@@H](CNC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1cccs1 ZINC000244794925 522027322 /nfs/dbraw/zinc/02/73/22/522027322.db2.gz QWNGHEWRIAGLHA-GUTXKFCHSA-N 1 1 362.503 1.815 50 0 FDAAMO Cc1nc(N)nc(C)c1CC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000071315489 522112167 /nfs/dbraw/zinc/11/21/67/522112167.db2.gz MKPASGZMZZJJPF-UHFFFAOYSA-N 1 1 354.458 1.348 50 0 FDAAMO Cc1nc(N)nc(C)c1CC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000071315489 522112179 /nfs/dbraw/zinc/11/21/79/522112179.db2.gz MKPASGZMZZJJPF-UHFFFAOYSA-N 1 1 354.458 1.348 50 0 FDAAMO CC(C)(CO)NC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479543 522114632 /nfs/dbraw/zinc/11/46/32/522114632.db2.gz SXDJZJDDUFQEHY-SFHVURJKSA-N 1 1 374.529 1.645 50 0 FDAAMO CC(C)[C@@H]1CN(C(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071753040 522127319 /nfs/dbraw/zinc/12/73/19/522127319.db2.gz MPFXTPSYJTVZBW-KRWDZBQOSA-N 1 1 360.437 1.571 50 0 FDAAMO O=C(NCc1ccncc1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071755208 522127412 /nfs/dbraw/zinc/12/74/12/522127412.db2.gz YGTQKHSRUHKJMZ-GOSISDBHSA-N 1 1 370.497 1.811 50 0 FDAAMO CC(C)n1cnnc1CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071763048 522130026 /nfs/dbraw/zinc/13/00/26/522130026.db2.gz NYIQMGZVRBOQQX-MRXNPFEDSA-N 1 1 362.522 1.624 50 0 FDAAMO CCOCCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071764824 522130887 /nfs/dbraw/zinc/13/08/87/522130887.db2.gz INKUQIVJZMXUBL-SFHVURJKSA-N 1 1 374.529 1.911 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)C1 ZINC000071771623 522133220 /nfs/dbraw/zinc/13/32/20/522133220.db2.gz HIDAGRGFJOFHNB-OAHLLOKOSA-N 1 1 374.533 1.615 50 0 FDAAMO CC[N@@H+](C)[C@H](C)C(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071774484 522134341 /nfs/dbraw/zinc/13/43/41/522134341.db2.gz KKGYJFFEYBKONC-CYBMUJFWSA-N 1 1 374.485 1.945 50 0 FDAAMO CN(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000072130849 522158741 /nfs/dbraw/zinc/15/87/41/522158741.db2.gz URGIILJDFHRSBN-SFHVURJKSA-N 1 1 356.474 1.365 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000072130849 522158747 /nfs/dbraw/zinc/15/87/47/522158747.db2.gz URGIILJDFHRSBN-SFHVURJKSA-N 1 1 356.474 1.365 50 0 FDAAMO Cc1ncc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000072128855 522158996 /nfs/dbraw/zinc/15/89/96/522158996.db2.gz AAUPGRPOPJUYHF-MRXNPFEDSA-N 1 1 357.389 1.285 50 0 FDAAMO CCCCOc1ccccc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072138976 522164386 /nfs/dbraw/zinc/16/43/86/522164386.db2.gz QQHDUCHLASWSLR-KRWDZBQOSA-N 1 1 359.470 1.902 50 0 FDAAMO CCCn1ccnc1C[N@H+]1CCc2nnc(Cc3cccnc3)n2CC1 ZINC000072135272 522165223 /nfs/dbraw/zinc/16/52/23/522165223.db2.gz HXLZPQREJRBRPB-UHFFFAOYSA-N 1 1 351.458 1.929 50 0 FDAAMO CCCn1ccnc1C[N@@H+]1CCc2nnc(Cc3cccnc3)n2CC1 ZINC000072135272 522165232 /nfs/dbraw/zinc/16/52/32/522165232.db2.gz HXLZPQREJRBRPB-UHFFFAOYSA-N 1 1 351.458 1.929 50 0 FDAAMO CCN1C(=O)NC(=O)C12CC[NH+](Cc1nc(-c3ccccc3)no1)CC2 ZINC000072140440 522167477 /nfs/dbraw/zinc/16/74/77/522167477.db2.gz GEPUBSOVCLJRBO-UHFFFAOYSA-N 1 1 355.398 1.643 50 0 FDAAMO c1c(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nn2c1CNCC2 ZINC000072147425 522172535 /nfs/dbraw/zinc/17/25/35/522172535.db2.gz YSPQJFODYFFTCD-FQEVSTJZSA-N 1 1 351.498 1.661 50 0 FDAAMO COCCc1noc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000072148482 522172753 /nfs/dbraw/zinc/17/27/53/522172753.db2.gz WLSKLWDCLOTIOB-IBGZPJMESA-N 1 1 356.426 1.769 50 0 FDAAMO COCCc1noc(C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000072148482 522172761 /nfs/dbraw/zinc/17/27/61/522172761.db2.gz WLSKLWDCLOTIOB-IBGZPJMESA-N 1 1 356.426 1.769 50 0 FDAAMO Cc1cc(C)c(C[N@H+]2CCN[C@@H](C(=O)N3CCCC3)C2)c(-n2cccn2)c1 ZINC000072149798 522176337 /nfs/dbraw/zinc/17/63/37/522176337.db2.gz BUYBTCPCKGGICG-LJQANCHMSA-N 1 1 367.497 1.885 50 0 FDAAMO Cc1cc(C)c(CN2CC[NH2+][C@@H](C(=O)N3CCCC3)C2)c(-n2cccn2)c1 ZINC000072149798 522176350 /nfs/dbraw/zinc/17/63/50/522176350.db2.gz BUYBTCPCKGGICG-LJQANCHMSA-N 1 1 367.497 1.885 50 0 FDAAMO Cc1ccc2[nH]c(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3CCC(C)C)nc2c1 ZINC000072159418 522186094 /nfs/dbraw/zinc/18/60/94/522186094.db2.gz JTAQMLLBAPBVFU-QGZVFWFLSA-N 1 1 371.485 1.724 50 0 FDAAMO Cc1ccc2nc(CNC(=O)C[C@@H]3C(=O)NCC[N@H+]3CCC(C)C)[nH]c2c1 ZINC000072159418 522186097 /nfs/dbraw/zinc/18/60/97/522186097.db2.gz JTAQMLLBAPBVFU-QGZVFWFLSA-N 1 1 371.485 1.724 50 0 FDAAMO Cc1ccc2nc(CNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3CCC(C)C)[nH]c2c1 ZINC000072159418 522186098 /nfs/dbraw/zinc/18/60/98/522186098.db2.gz JTAQMLLBAPBVFU-QGZVFWFLSA-N 1 1 371.485 1.724 50 0 FDAAMO COc1c[nH]c(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1=O ZINC000072174037 522201588 /nfs/dbraw/zinc/20/15/88/522201588.db2.gz CTTSKNXDWHNRKV-KRWDZBQOSA-N 1 1 367.449 1.699 50 0 FDAAMO CC(C)OC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000072271299 522206050 /nfs/dbraw/zinc/20/60/50/522206050.db2.gz XYVIGGJOGVWLOC-UHFFFAOYSA-N 1 1 363.414 1.953 50 0 FDAAMO O=C(CN1CCC[C@H](O)C1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000072409983 522242968 /nfs/dbraw/zinc/24/29/68/522242968.db2.gz FVXAOQYDWVGBQW-FQEVSTJZSA-N 1 1 357.498 1.145 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(OCC(N)=O)c3)CC2)C[C@H](C)O1 ZINC000072419772 522249751 /nfs/dbraw/zinc/24/97/51/522249751.db2.gz UUQIPQZABLXJNC-IYBDPMFKSA-N 1 1 361.486 1.624 50 0 FDAAMO C[C@@H]1CN(C2CC[NH+](Cc3cccc(OCC(N)=O)c3)CC2)C[C@H](C)O1 ZINC000072419772 522249753 /nfs/dbraw/zinc/24/97/53/522249753.db2.gz UUQIPQZABLXJNC-IYBDPMFKSA-N 1 1 361.486 1.624 50 0 FDAAMO C[C@@H](O)C(=O)N1CCC2(CN(CC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000072423084 522252437 /nfs/dbraw/zinc/25/24/37/522252437.db2.gz OJUAPIJIWREYCJ-OAHLLOKOSA-N 1 1 367.490 1.445 50 0 FDAAMO O=C(c1ncccc1O)N1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072434732 522272220 /nfs/dbraw/zinc/27/22/20/522272220.db2.gz ZKJSNKMVTXBWJQ-GOSISDBHSA-N 1 1 369.465 1.929 50 0 FDAAMO O=C(c1ncccc1O)N1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072434732 522272231 /nfs/dbraw/zinc/27/22/31/522272231.db2.gz ZKJSNKMVTXBWJQ-GOSISDBHSA-N 1 1 369.465 1.929 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCCN(C(=O)N2CCCC2)C3)C1 ZINC000072476830 522300565 /nfs/dbraw/zinc/30/05/65/522300565.db2.gz FBPGFCQCAZXLCA-OAHLLOKOSA-N 1 1 374.489 1.002 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCN(C(=O)N2CCCC2)C3)C1 ZINC000072476830 522300573 /nfs/dbraw/zinc/30/05/73/522300573.db2.gz FBPGFCQCAZXLCA-OAHLLOKOSA-N 1 1 374.489 1.002 50 0 FDAAMO Cc1cc(C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n[nH]1 ZINC000072477466 522301036 /nfs/dbraw/zinc/30/10/36/522301036.db2.gz NJDKIROARJDMHK-KRWDZBQOSA-N 1 1 363.506 1.100 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)cc1Cn1cccn1 ZINC000072480690 522306280 /nfs/dbraw/zinc/30/62/80/522306280.db2.gz TZCRZKCSLHQJQY-LJQANCHMSA-N 1 1 356.426 1.967 50 0 FDAAMO COc1cc(CN2CCC(=O)NC[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000216492519 522365796 /nfs/dbraw/zinc/36/57/96/522365796.db2.gz CELZLVPCMDVPFG-INIZCTEOSA-N 1 1 361.486 1.880 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1cnn(C(C)C)c1)C2 ZINC000091486082 522768105 /nfs/dbraw/zinc/76/81/05/522768105.db2.gz UXQYIVVHNPGCFU-UHFFFAOYSA-N 1 1 360.462 1.329 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1cnn(C(C)C)c1)C2 ZINC000091486082 522768114 /nfs/dbraw/zinc/76/81/14/522768114.db2.gz UXQYIVVHNPGCFU-UHFFFAOYSA-N 1 1 360.462 1.329 50 0 FDAAMO CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CSC[NH2+]1 ZINC000154793278 523023619 /nfs/dbraw/zinc/02/36/19/523023619.db2.gz PKLCVIMBWBKMOI-DGCLKSJQSA-N 1 1 364.389 1.566 50 0 FDAAMO O=S(=O)(Nc1ncc(CN2CC[C@H]3C[NH2+]C[C@H]32)cn1)c1ccccc1 ZINC000077302675 523288553 /nfs/dbraw/zinc/28/85/53/523288553.db2.gz RWUSCHAOACATOZ-GOEBONIOSA-N 1 1 359.455 1.071 50 0 FDAAMO COc1ccc(/C=C/C[N@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cc1 ZINC000077354920 523306680 /nfs/dbraw/zinc/30/66/80/523306680.db2.gz MSCUUTKBPDWFSE-FMEUAVTJSA-N 1 1 367.449 1.969 50 0 FDAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000077354232 523306921 /nfs/dbraw/zinc/30/69/21/523306921.db2.gz SDOYAJBCDWRRND-CYBMUJFWSA-N 1 1 367.409 1.274 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccccc1F)S(C)(=O)=O ZINC000078582467 523609659 /nfs/dbraw/zinc/60/96/59/523609659.db2.gz DJKMCINNEJHBBB-AWEZNQCLSA-N 1 1 357.451 1.144 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000067934578 523640775 /nfs/dbraw/zinc/64/07/75/523640775.db2.gz ZCYOCHUHDAHLAC-OAHLLOKOSA-N 1 1 360.458 1.999 50 0 FDAAMO COc1ccc(C[NH2+]CC2CC2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020327484 524069680 /nfs/dbraw/zinc/06/96/80/524069680.db2.gz RVKIDYUQVVVKAE-SFHVURJKSA-N 1 1 363.502 1.182 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cnc2sccn2c1=O ZINC000082093091 524209712 /nfs/dbraw/zinc/20/97/12/524209712.db2.gz UWYQTOYECLVTPN-OAHLLOKOSA-N 1 1 368.462 1.885 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2cnnc2)nc1 ZINC000082100119 524212344 /nfs/dbraw/zinc/21/23/44/524212344.db2.gz BWBUWRVBVOUHTN-SFHVURJKSA-N 1 1 362.437 1.791 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000091434052 524702285 /nfs/dbraw/zinc/70/22/85/524702285.db2.gz BVSYFHAOJBJXGF-MRXNPFEDSA-N 1 1 357.458 1.721 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000091434052 524702290 /nfs/dbraw/zinc/70/22/90/524702290.db2.gz BVSYFHAOJBJXGF-MRXNPFEDSA-N 1 1 357.458 1.721 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1 ZINC000091434052 524702295 /nfs/dbraw/zinc/70/22/95/524702295.db2.gz BVSYFHAOJBJXGF-MRXNPFEDSA-N 1 1 357.458 1.721 50 0 FDAAMO Cc1ccc2ncccc2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091474357 524710222 /nfs/dbraw/zinc/71/02/22/524710222.db2.gz YJVPTVVKMXYDHF-RTBURBONSA-N 1 1 368.525 1.831 50 0 FDAAMO Cc1ccc2ncccc2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCN(C)CC2)C1 ZINC000091474357 524710232 /nfs/dbraw/zinc/71/02/32/524710232.db2.gz YJVPTVVKMXYDHF-RTBURBONSA-N 1 1 368.525 1.831 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccccn1)CC2 ZINC000091526500 524719647 /nfs/dbraw/zinc/71/96/47/524719647.db2.gz VQHBBJRADRLYPX-UHFFFAOYSA-N 1 1 355.442 1.327 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(c3noc(-c4ccccc4)n3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091550665 524723849 /nfs/dbraw/zinc/72/38/49/524723849.db2.gz TYWJDLOIJJJZNS-CYGHRXIMSA-N 1 1 372.469 1.891 50 0 FDAAMO CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000091562714 524726363 /nfs/dbraw/zinc/72/63/63/524726363.db2.gz CLXXHVRVOJIKGJ-QFBILLFUSA-N 1 1 370.497 1.649 50 0 FDAAMO CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)C[N@H+]1CCc3ccccc3C1)C2 ZINC000091562714 524726373 /nfs/dbraw/zinc/72/63/73/524726373.db2.gz CLXXHVRVOJIKGJ-QFBILLFUSA-N 1 1 370.497 1.649 50 0 FDAAMO Cc1ccc(C)c(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1 ZINC000091603147 524737532 /nfs/dbraw/zinc/73/75/32/524737532.db2.gz CTWFQKIPTUSERF-RTBURBONSA-N 1 1 359.514 1.621 50 0 FDAAMO Cc1ccc(C)c(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091603147 524737543 /nfs/dbraw/zinc/73/75/43/524737543.db2.gz CTWFQKIPTUSERF-RTBURBONSA-N 1 1 359.514 1.621 50 0 FDAAMO Cc1ccc(C)c(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091603147 524737556 /nfs/dbraw/zinc/73/75/56/524737556.db2.gz CTWFQKIPTUSERF-RTBURBONSA-N 1 1 359.514 1.621 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1csc(N)n1)CC2 ZINC000091650132 524753720 /nfs/dbraw/zinc/75/37/20/524753720.db2.gz NWEYMHYSETZEOG-UHFFFAOYSA-N 1 1 360.487 1.387 50 0 FDAAMO Cc1cc2cccc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)c2o1 ZINC000091663285 524756817 /nfs/dbraw/zinc/75/68/17/524756817.db2.gz FINABTFZHHCVOS-QZTJIDSGSA-N 1 1 373.497 1.915 50 0 FDAAMO Cc1cc2cccc(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)c2o1 ZINC000091663285 524756824 /nfs/dbraw/zinc/75/68/24/524756824.db2.gz FINABTFZHHCVOS-QZTJIDSGSA-N 1 1 373.497 1.915 50 0 FDAAMO C[N@H+]1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@]12CCNC(=O)CC2 ZINC000091665504 524758021 /nfs/dbraw/zinc/75/80/21/524758021.db2.gz PMEXCIYXYOUGME-FQEVSTJZSA-N 1 1 371.460 1.798 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc[nH]c1=O)C2 ZINC000091665708 524758910 /nfs/dbraw/zinc/75/89/10/524758910.db2.gz XUECTSZPEVTOQJ-LSDHHAIUSA-N 1 1 356.426 1.716 50 0 FDAAMO CN1C[C@@]2(CCC[N@H+](Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O ZINC000091745975 524771478 /nfs/dbraw/zinc/77/14/78/524771478.db2.gz QVRRKXDXVWVDQS-LJQANCHMSA-N 1 1 370.409 1.044 50 0 FDAAMO CN1C[C@@]2(CCC[N@@H+](Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O ZINC000091745975 524771488 /nfs/dbraw/zinc/77/14/88/524771488.db2.gz QVRRKXDXVWVDQS-LJQANCHMSA-N 1 1 370.409 1.044 50 0 FDAAMO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@]12CCNC(=O)CC2 ZINC000091768797 524780113 /nfs/dbraw/zinc/78/01/13/524780113.db2.gz YLTKCSKBYRKWQQ-INIZCTEOSA-N 1 1 371.890 1.315 50 0 FDAAMO C[N@H+]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@]12CCNC(=O)CC2 ZINC000091768797 524780126 /nfs/dbraw/zinc/78/01/26/524780126.db2.gz YLTKCSKBYRKWQQ-INIZCTEOSA-N 1 1 371.890 1.315 50 0 FDAAMO CCCn1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c1C ZINC000091819485 524791172 /nfs/dbraw/zinc/79/11/72/524791172.db2.gz VTYNAZQOJMDSQL-DOTOQJQBSA-N 1 1 361.490 1.113 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2ccc(Cn3nnnc3C)cc2)CC[N@H+]1C(C)C ZINC000091829228 524793637 /nfs/dbraw/zinc/79/36/37/524793637.db2.gz OHEHJTZESHFCFN-GOSISDBHSA-N 1 1 356.474 1.975 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H](CO)C[C@H](CN2CCOCC2)C1 ZINC000091849410 524799324 /nfs/dbraw/zinc/79/93/24/524799324.db2.gz SZLZDVGSDLXBAJ-HUUCEWRRSA-N 1 1 370.925 1.399 50 0 FDAAMO CCc1nn(C)c(Cl)c1CN1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091849410 524799334 /nfs/dbraw/zinc/79/93/34/524799334.db2.gz SZLZDVGSDLXBAJ-HUUCEWRRSA-N 1 1 370.925 1.399 50 0 FDAAMO COCc1cc(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)ccc1OC ZINC000091859958 524800139 /nfs/dbraw/zinc/80/01/39/524800139.db2.gz PEFJOHYPBZYYMQ-FQEVSTJZSA-N 1 1 361.486 1.628 50 0 FDAAMO CC(C)N1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O ZINC000091849000 524801201 /nfs/dbraw/zinc/80/12/01/524801201.db2.gz XOFVBVFCUQKIIV-FQEVSTJZSA-N 1 1 370.453 1.623 50 0 FDAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 ZINC000091951196 524815441 /nfs/dbraw/zinc/81/54/41/524815441.db2.gz IIWWPJNQQQEWFU-QGZVFWFLSA-N 1 1 371.489 1.750 50 0 FDAAMO CN(C)S(=O)(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091997281 524825538 /nfs/dbraw/zinc/82/55/38/524825538.db2.gz DTNFSAFDYAOCEX-QGZVFWFLSA-N 1 1 351.516 1.994 50 0 FDAAMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)cn1 ZINC000092037915 524832999 /nfs/dbraw/zinc/83/29/99/524832999.db2.gz SWTNDRJQVIHRIK-MRXNPFEDSA-N 1 1 366.473 1.792 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)c3ccc4c(c3)OCO4)CC[N@H+]2C)CCC1=O ZINC000092037361 524833761 /nfs/dbraw/zinc/83/37/61/524833761.db2.gz HHHLGESBVSFMOT-IBGZPJMESA-N 1 1 359.426 1.184 50 0 FDAAMO Cc1ccc(-n2cccn2)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)c1 ZINC000092065987 524839137 /nfs/dbraw/zinc/83/91/37/524839137.db2.gz CSRVOQNDXDUODW-WOJBJXKFSA-N 1 1 370.497 1.553 50 0 FDAAMO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(=O)n1C ZINC000092066615 524839254 /nfs/dbraw/zinc/83/92/54/524839254.db2.gz SOECCXDFXKYHRO-MRXNPFEDSA-N 1 1 361.486 1.836 50 0 FDAAMO Cc1nc(C[NH+]2CCC(C(=O)N3C[C@H]4OCCN(C)[C@H]4C3)CC2)cs1 ZINC000124222580 524932514 /nfs/dbraw/zinc/93/25/14/524932514.db2.gz VEEOVIYJKPOLCZ-DLBZAZTESA-N 1 1 364.515 1.205 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[NH+](C)C ZINC000095363050 525037164 /nfs/dbraw/zinc/03/71/64/525037164.db2.gz SMYLHHFCGUYXGH-GOSISDBHSA-N 1 1 374.485 1.194 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCN(Cc3nccn3C)CC2)[NH+](C)C)c1 ZINC000095368021 525041633 /nfs/dbraw/zinc/04/16/33/525041633.db2.gz KPROPWWBMBTXFP-LJQANCHMSA-N 1 1 355.486 1.676 50 0 FDAAMO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000095368493 525041838 /nfs/dbraw/zinc/04/18/38/525041838.db2.gz BSTQVCZGKDPBFR-KRWDZBQOSA-N 1 1 370.497 1.805 50 0 FDAAMO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000095368493 525041849 /nfs/dbraw/zinc/04/18/49/525041849.db2.gz BSTQVCZGKDPBFR-KRWDZBQOSA-N 1 1 370.497 1.805 50 0 FDAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)C(=O)Nc1ccccc1)C2 ZINC000095372457 525046818 /nfs/dbraw/zinc/04/68/18/525046818.db2.gz VUIJQAJLPAGZGJ-DOTOQJQBSA-N 1 1 367.453 1.780 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)C(=O)Nc1ccccc1)C2 ZINC000095372457 525046821 /nfs/dbraw/zinc/04/68/21/525046821.db2.gz VUIJQAJLPAGZGJ-DOTOQJQBSA-N 1 1 367.453 1.780 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)c3cncc(Cl)c3)CC[N@H+]2C)CCC1=O ZINC000095372618 525047965 /nfs/dbraw/zinc/04/79/65/525047965.db2.gz PARCUUKXEMHXSL-QGZVFWFLSA-N 1 1 350.850 1.504 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc(-c2cccnc2)no1 ZINC000095377957 525052316 /nfs/dbraw/zinc/05/23/16/525052316.db2.gz UFWVIIXHPDIFCI-QGZVFWFLSA-N 1 1 363.421 1.847 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1nc(-c2cccnc2)no1 ZINC000095377957 525052323 /nfs/dbraw/zinc/05/23/23/525052323.db2.gz UFWVIIXHPDIFCI-QGZVFWFLSA-N 1 1 363.421 1.847 50 0 FDAAMO CC[NH+]1CCN(C[C@@H]2CN(c3ncnc4ccsc43)C[C@@H]2CO)CC1 ZINC000095382657 525055833 /nfs/dbraw/zinc/05/58/33/525055833.db2.gz BXCRYZPOQAMDJG-HUUCEWRRSA-N 1 1 361.515 1.374 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCC(O)(c2cccnc2)CC1 ZINC000095384527 525057306 /nfs/dbraw/zinc/05/73/06/525057306.db2.gz STEOSFOTYAPDPX-QGZVFWFLSA-N 1 1 373.497 1.783 50 0 FDAAMO O=C(CCCNc1ncccn1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095472647 525075203 /nfs/dbraw/zinc/07/52/03/525075203.db2.gz BNNPYEJWFVHMIS-UHFFFAOYSA-N 1 1 354.458 1.451 50 0 FDAAMO O=C(c1nc2ccccn2c1F)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095502240 525086358 /nfs/dbraw/zinc/08/63/58/525086358.db2.gz SHQPLEMRWZANEO-MRXNPFEDSA-N 1 1 368.412 1.792 50 0 FDAAMO O=C(c1nc2ccccn2c1F)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095502240 525086366 /nfs/dbraw/zinc/08/63/66/525086366.db2.gz SHQPLEMRWZANEO-MRXNPFEDSA-N 1 1 368.412 1.792 50 0 FDAAMO O=C1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CCN1 ZINC000095502882 525087096 /nfs/dbraw/zinc/08/70/96/525087096.db2.gz SCKGXDVTEIWLHS-SFHVURJKSA-N 1 1 361.486 1.234 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC(CCC(=O)NCc3cccnc3)CC2)CC1 ZINC000095525389 525103956 /nfs/dbraw/zinc/10/39/56/525103956.db2.gz QWPPNUGTYLOLJD-UHFFFAOYSA-N 1 1 373.501 1.557 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccs1)CC2 ZINC000095529806 525105388 /nfs/dbraw/zinc/10/53/88/525105388.db2.gz BHXJFFDKXPHHBT-UHFFFAOYSA-N 1 1 360.483 1.994 50 0 FDAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2c[nH]c(=O)cn2)C1 ZINC000095530544 525107830 /nfs/dbraw/zinc/10/78/30/525107830.db2.gz JSGJWQOYMBSTCG-QGZVFWFLSA-N 1 1 354.454 1.797 50 0 FDAAMO CS(=O)(=O)CC[N@@H+]1C[C@H](NC(=O)CC2CCCCC2)[C@@H](C2CC2)C1 ZINC000091635878 525122861 /nfs/dbraw/zinc/12/28/61/525122861.db2.gz ZHUWPWURVNWFKQ-SJORKVTESA-N 1 1 356.532 1.828 50 0 FDAAMO CS(=O)(=O)CC[N@H+]1C[C@H](NC(=O)CC2CCCCC2)[C@@H](C2CC2)C1 ZINC000091635878 525122869 /nfs/dbraw/zinc/12/28/69/525122869.db2.gz ZHUWPWURVNWFKQ-SJORKVTESA-N 1 1 356.532 1.828 50 0 FDAAMO O=S(=O)(c1ccc(Cl)s1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000096099717 525133142 /nfs/dbraw/zinc/13/31/42/525133142.db2.gz MCVHTQWPHLKLSF-LLVKDONJSA-N 1 1 350.893 1.621 50 0 FDAAMO CC[C@H](O)Cn1nc(-c2ccc(F)cc2)nc1CC[NH+]1CCN(C)CC1 ZINC000096132457 525137660 /nfs/dbraw/zinc/13/76/60/525137660.db2.gz JVMKAYJEIYLDNY-KRWDZBQOSA-N 1 1 361.465 1.645 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccnn2C)C[N@H+]1C1CCCC1 ZINC000096141463 525139034 /nfs/dbraw/zinc/13/90/34/525139034.db2.gz KBRRBKCUSOQGJT-YOEHRIQHSA-N 1 1 361.490 1.404 50 0 FDAAMO COc1ccc(Cc2nc([C@@H]3CNCCO3)n(C3CC[NH+](C)CC3)n2)cc1 ZINC000096149655 525142953 /nfs/dbraw/zinc/14/29/53/525142953.db2.gz HEFKUYNOEHCJDO-SFHVURJKSA-N 1 1 371.485 1.805 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@H+]1CC1CCCC1 ZINC000096162784 525144756 /nfs/dbraw/zinc/14/47/56/525144756.db2.gz RHHOVZMKKGSCPU-AEFFLSMTSA-N 1 1 373.501 1.708 50 0 FDAAMO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000096161066 525145054 /nfs/dbraw/zinc/14/50/54/525145054.db2.gz SAFAEGZTXBJDDH-RXVVDRJESA-N 1 1 371.481 1.761 50 0 FDAAMO CCc1ccc(Cn2nc(CC(N)=O)nc2CN2CCC[N@@H+](C)CC2)cc1 ZINC000096165780 525145703 /nfs/dbraw/zinc/14/57/03/525145703.db2.gz AVTCMKXBTSZKAY-UHFFFAOYSA-N 1 1 370.501 1.054 50 0 FDAAMO Cc1ccc([C@H]([NH2+][C@@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000097019957 525168939 /nfs/dbraw/zinc/16/89/39/525168939.db2.gz BFIQOWGZHOQVOU-MSOLQXFVSA-N 1 1 358.463 1.966 50 0 FDAAMO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000097307635 525182415 /nfs/dbraw/zinc/18/24/15/525182415.db2.gz WZFNCFPFAHBDFJ-HNNXBMFYSA-N 1 1 358.442 1.662 50 0 FDAAMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000097480055 525184410 /nfs/dbraw/zinc/18/44/10/525184410.db2.gz WKWIHVVLWBMGAH-AWEZNQCLSA-N 1 1 350.488 1.567 50 0 FDAAMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000097480055 525184419 /nfs/dbraw/zinc/18/44/19/525184419.db2.gz WKWIHVVLWBMGAH-AWEZNQCLSA-N 1 1 350.488 1.567 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000097797249 525195120 /nfs/dbraw/zinc/19/51/20/525195120.db2.gz MZVCLRKURIOZJV-GJZGRUSLSA-N 1 1 363.397 1.031 50 0 FDAAMO Nc1ncc(C(=O)NCC[N@H+]2CCCC[C@H]2CO)c(-c2ccccc2)n1 ZINC000097785579 525195447 /nfs/dbraw/zinc/19/54/47/525195447.db2.gz IEMLRQIKJHPCKQ-HNNXBMFYSA-N 1 1 355.442 1.302 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)CC3=CSC4=NCCN34)cc2C1 ZINC000102512815 525290419 /nfs/dbraw/zinc/29/04/19/525290419.db2.gz ZFXPQKRIIOOPNI-UHFFFAOYSA-N 1 1 374.514 1.621 50 0 FDAAMO C[C@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)N1CCCC1=O ZINC000091441216 526075276 /nfs/dbraw/zinc/07/52/76/526075276.db2.gz VNEXGGVWPVYMAA-OAHLLOKOSA-N 1 1 373.501 1.659 50 0 FDAAMO Cc1nc(SCC(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)n[nH]1 ZINC000082138508 526532281 /nfs/dbraw/zinc/53/22/81/526532281.db2.gz VGUBAHJKPYPMEB-UHFFFAOYSA-N 1 1 363.491 1.190 50 0 FDAAMO Cc1nnc(SCC(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)[nH]1 ZINC000082138508 526532287 /nfs/dbraw/zinc/53/22/87/526532287.db2.gz VGUBAHJKPYPMEB-UHFFFAOYSA-N 1 1 363.491 1.190 50 0 FDAAMO Cc1nnc(SCC(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)[nH]1 ZINC000082138508 526532291 /nfs/dbraw/zinc/53/22/91/526532291.db2.gz VGUBAHJKPYPMEB-UHFFFAOYSA-N 1 1 363.491 1.190 50 0 FDAAMO O=C(c1cccc(Br)c1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436626 526750875 /nfs/dbraw/zinc/75/08/75/526750875.db2.gz VGUFNVQKOUJODK-OAHLLOKOSA-N 1 1 353.260 1.978 50 0 FDAAMO NC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019881320 527059500 /nfs/dbraw/zinc/05/95/00/527059500.db2.gz NDAVEJBRWDBPEO-UHFFFAOYSA-N 1 1 352.438 1.542 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1CN1CCOCC1 ZINC000091460158 527620753 /nfs/dbraw/zinc/62/07/53/527620753.db2.gz DGRSJFAPJZFHEY-HZPDHXFCSA-N 1 1 374.403 1.958 50 0 FDAAMO OC[C@H]1CN(Cc2ccccc2OC(F)(F)F)C[C@H]1C[NH+]1CCOCC1 ZINC000091460158 527620759 /nfs/dbraw/zinc/62/07/59/527620759.db2.gz DGRSJFAPJZFHEY-HZPDHXFCSA-N 1 1 374.403 1.958 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000019831192 527669709 /nfs/dbraw/zinc/66/97/09/527669709.db2.gz KFNIOLIJJPNVCN-UHFFFAOYSA-N 1 1 359.348 1.482 50 0 FDAAMO CCn1ncnc1C[N@@H+]1CCc2nc(N)nc(N3CC=CCC3)c2CC1 ZINC000072422663 535894024 /nfs/dbraw/zinc/89/40/24/535894024.db2.gz TVHAGAXEFRQCJD-UHFFFAOYSA-N 1 1 354.462 1.037 50 0 FDAAMO CCn1ncnc1C[N@H+]1CCc2nc(N)nc(N3CC=CCC3)c2CC1 ZINC000072422663 535894025 /nfs/dbraw/zinc/89/40/25/535894025.db2.gz TVHAGAXEFRQCJD-UHFFFAOYSA-N 1 1 354.462 1.037 50 0 FDAAMO Cc1csc([C@@H]2COCCN2Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000190412828 537172041 /nfs/dbraw/zinc/17/20/41/537172041.db2.gz OOATWRQOJKLBRN-INIZCTEOSA-N 1 1 374.514 1.567 50 0 FDAAMO O=C(Cc1ccc(F)cc1F)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000252495444 537250252 /nfs/dbraw/zinc/25/02/52/537250252.db2.gz OQIQDRNBBNINHQ-QZTJIDSGSA-N 1 1 361.392 1.654 50 0 FDAAMO O=C(Cc1ccc(F)cc1F)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000252495444 537250253 /nfs/dbraw/zinc/25/02/53/537250253.db2.gz OQIQDRNBBNINHQ-QZTJIDSGSA-N 1 1 361.392 1.654 50 0 FDAAMO CC(C)c1nc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)cs1 ZINC000252508601 537250452 /nfs/dbraw/zinc/25/04/52/537250452.db2.gz XPTFSYOZIQTEIV-CQSZACIVSA-N 1 1 352.504 1.524 50 0 FDAAMO CC(C)c1nc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)cs1 ZINC000252508601 537250454 /nfs/dbraw/zinc/25/04/54/537250454.db2.gz XPTFSYOZIQTEIV-CQSZACIVSA-N 1 1 352.504 1.524 50 0 FDAAMO O=C(/C=C/c1ccccc1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000223150424 537519366 /nfs/dbraw/zinc/51/93/66/537519366.db2.gz BSQZDYSROCNJFJ-VOTSOKGWSA-N 1 1 362.495 1.858 50 0 FDAAMO CN(Cc1cc(C2CC2)on1)C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000230480414 537580623 /nfs/dbraw/zinc/58/06/23/537580623.db2.gz WPTHPZRGVGLBJO-AWEZNQCLSA-N 1 1 355.460 1.019 50 0 FDAAMO CN(Cc1cc(C2CC2)on1)C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000230480414 537580629 /nfs/dbraw/zinc/58/06/29/537580629.db2.gz WPTHPZRGVGLBJO-AWEZNQCLSA-N 1 1 355.460 1.019 50 0 FDAAMO COCC(=O)Nc1ccc(C)c(NC(=O)NC[C@H]2COCC[N@@H+](C)C2)c1 ZINC000299777667 537594052 /nfs/dbraw/zinc/59/40/52/537594052.db2.gz NGKUZPBACVFXJA-CQSZACIVSA-N 1 1 364.446 1.280 50 0 FDAAMO COCCNC(=O)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000299774887 537594975 /nfs/dbraw/zinc/59/49/75/537594975.db2.gz JACJHZAAVJKSPO-INIZCTEOSA-N 1 1 360.458 1.683 50 0 FDAAMO CC(C)n1cnnc1CCNC(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000244601768 537648287 /nfs/dbraw/zinc/64/82/87/537648287.db2.gz DRLLREAHKQDCIH-KRWDZBQOSA-N 1 1 359.430 1.549 50 0 FDAAMO c1nc(N2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)n[nH]1 ZINC000244673772 537649896 /nfs/dbraw/zinc/64/98/96/537649896.db2.gz HVESUMQSFGDIOW-SFHVURJKSA-N 1 1 356.474 1.218 50 0 FDAAMO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244866686 537654464 /nfs/dbraw/zinc/65/44/64/537654464.db2.gz WAPXKVBYRHQJAB-VQIMIIECSA-N 1 1 371.485 1.787 50 0 FDAAMO CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244866686 537654469 /nfs/dbraw/zinc/65/44/69/537654469.db2.gz WAPXKVBYRHQJAB-VQIMIIECSA-N 1 1 371.485 1.787 50 0 FDAAMO COc1nc(-c2cccc(C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)c2)nn1C ZINC000426653008 538118903 /nfs/dbraw/zinc/11/89/03/538118903.db2.gz SZEKZLDREUTRDU-HOTGVXAUSA-N 1 1 373.457 1.328 50 0 FDAAMO Cn1cc(C(=O)N2CC(c3noc([C@@H]4CCC[N@H+]4CC4CC4)n3)C2)cn1 ZINC000575542696 550465281 /nfs/dbraw/zinc/46/52/81/550465281.db2.gz VQZDZNDYRPCAMZ-HNNXBMFYSA-N 1 1 356.430 1.590 50 0 FDAAMO NC(=O)C1CC[NH+](C2CN(C(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000575607661 550466091 /nfs/dbraw/zinc/46/60/91/550466091.db2.gz VQLNMGPZXYSTKN-UHFFFAOYSA-N 1 1 355.360 1.727 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCN3CCCCCC3=O)CC2)C[C@H](C)O1 ZINC000584884463 551564369 /nfs/dbraw/zinc/56/43/69/551564369.db2.gz RSWKNILCJOAMCE-CALCHBBNSA-N 1 1 365.518 1.879 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000584902784 551567438 /nfs/dbraw/zinc/56/74/38/551567438.db2.gz SOCQAYLPPXYWKQ-FKIZTMCRSA-N 1 1 372.513 1.605 50 0 FDAAMO [NH3+]CCOc1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 ZINC000426503764 570613474 /nfs/dbraw/zinc/61/34/74/570613474.db2.gz YXVMHFKKSDSYRV-IBGZPJMESA-N 1 1 363.421 1.930 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[NH+](CCSC)CC2)c(OC)c1 ZINC000426529290 570613975 /nfs/dbraw/zinc/61/39/75/570613975.db2.gz MIEHXQXYICJNDR-UHFFFAOYSA-N 1 1 353.488 1.894 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000045867447 570913443 /nfs/dbraw/zinc/91/34/43/570913443.db2.gz SRKWUQFUWNHQTJ-PWSUYJOCSA-N 1 1 350.385 1.356 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000670473465 571055064 /nfs/dbraw/zinc/05/50/64/571055064.db2.gz XAQBAESWRLNLOK-ZDUSSCGKSA-N 1 1 352.460 1.200 50 0 FDAAMO C[NH+]1CCC(c2ncc(C(=O)N3CCC[C@@H](Cn4cncn4)C3)[nH]2)CC1 ZINC000685941496 571101082 /nfs/dbraw/zinc/10/10/82/571101082.db2.gz DDHHXHQAJNMJJG-CQSZACIVSA-N 1 1 357.462 1.363 50 0 FDAAMO C[N@@H+](CCNc1cc([C@H]2CCOC2)ncn1)Cc1ccc2c(c1)OCCO2 ZINC000426405452 571129230 /nfs/dbraw/zinc/12/92/30/571129230.db2.gz FKTVWLORUFQDCW-INIZCTEOSA-N 1 1 370.453 2.296 50 0 FDAAMO Cc1ccc(NCCCNC(=O)c2cc3ccccc3n(C)c2=O)[nH+]c1 ZINC000426420155 571132789 /nfs/dbraw/zinc/13/27/89/571132789.db2.gz QXGIFAPUWJQIBT-UHFFFAOYSA-N 1 1 350.422 2.474 50 0 FDAAMO OC1CN(c2nc(NCCc3cccc(F)c3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426634348 571132847 /nfs/dbraw/zinc/13/28/47/571132847.db2.gz UUBCBCWDFBKDPQ-CQSZACIVSA-N 1 1 358.417 1.955 50 0 FDAAMO OC1CN(c2nc(NCCc3cccc(Cl)c3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426498432 571132860 /nfs/dbraw/zinc/13/28/60/571132860.db2.gz HDJNNQBSWYUQSJ-AWEZNQCLSA-N 1 1 374.872 2.469 50 0 FDAAMO COc1ccc2[nH]c(CCNc3cc([C@H]4CCOC4)[nH+]c(N)n3)nc2c1 ZINC000426429060 571135413 /nfs/dbraw/zinc/13/54/13/571135413.db2.gz XIWBGFPXIZHCDS-NSHDSACASA-N 1 1 354.414 1.524 50 0 FDAAMO COc1ccc2[nH]c(CC[N@@H+](C)CCc3c[nH]c(=O)n(C)c3=O)nc2c1 ZINC000253536584 571137663 /nfs/dbraw/zinc/13/76/63/571137663.db2.gz WRRDIAVTMYQYKY-UHFFFAOYSA-N 1 1 357.414 1.088 50 0 FDAAMO COc1ccc2nc(CC[N@H+](C)CCc3c[nH]c(=O)n(C)c3=O)[nH]c2c1 ZINC000253536584 571137667 /nfs/dbraw/zinc/13/76/67/571137667.db2.gz WRRDIAVTMYQYKY-UHFFFAOYSA-N 1 1 357.414 1.088 50 0 FDAAMO COc1ccc2nc(CC[N@@H+](C)CCc3c[nH]c(=O)n(C)c3=O)[nH]c2c1 ZINC000253536584 571137669 /nfs/dbraw/zinc/13/76/69/571137669.db2.gz WRRDIAVTMYQYKY-UHFFFAOYSA-N 1 1 357.414 1.088 50 0 FDAAMO COc1c[nH]c(C[N@@H+](C)CCNc2cc([C@H]3CCOC3)ncn2)cc1=O ZINC000299758442 571192774 /nfs/dbraw/zinc/19/27/74/571192774.db2.gz PRWHKEDTICYTGR-ZDUSSCGKSA-N 1 1 359.430 1.634 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)Nc1cc(F)c2c(c1)NC(=O)CO2 ZINC000299773798 571196434 /nfs/dbraw/zinc/19/64/34/571196434.db2.gz FUAUPLPURHQVAT-LBPRGKRZSA-N 1 1 366.393 1.125 50 0 FDAAMO Cc1cc(NC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)n(C2CCCC2)n1 ZINC000299794953 571201948 /nfs/dbraw/zinc/20/19/48/571201948.db2.gz JINIRKXKSXXYIJ-AWEZNQCLSA-N 1 1 362.478 1.625 50 0 FDAAMO Cc1cc(C(N)=O)ccc1NC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000299801866 571203452 /nfs/dbraw/zinc/20/34/52/571203452.db2.gz ZVCNZXDAPDNKMJ-INIZCTEOSA-N 1 1 373.501 1.585 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@@H]2O)CC1 ZINC000299802983 571203859 /nfs/dbraw/zinc/20/38/59/571203859.db2.gz TVUBACXEOTVJDO-GJZGRUSLSA-N 1 1 357.376 1.138 50 0 FDAAMO CC(C)c1noc(C2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)n1 ZINC000426387588 571218158 /nfs/dbraw/zinc/21/81/58/571218158.db2.gz CCXUTNDUMCRFON-UHFFFAOYSA-N 1 1 365.478 1.804 50 0 FDAAMO Cc1ncc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cn1 ZINC000426395387 571219373 /nfs/dbraw/zinc/21/93/73/571219373.db2.gz OBHRIXAXBPROMZ-KRWDZBQOSA-N 1 1 371.489 1.125 50 0 FDAAMO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426415398 571222238 /nfs/dbraw/zinc/22/22/38/571222238.db2.gz MQTZRDDIQKIAEL-IAGOWNOFSA-N 1 1 372.469 1.038 50 0 FDAAMO Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426415398 571222239 /nfs/dbraw/zinc/22/22/39/571222239.db2.gz MQTZRDDIQKIAEL-IAGOWNOFSA-N 1 1 372.469 1.038 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](O)C1 ZINC000426430581 571224571 /nfs/dbraw/zinc/22/45/71/571224571.db2.gz CGBVLVOUUKBURX-TZMCWYRMSA-N 1 1 369.372 1.248 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H](O)C1 ZINC000426430581 571224572 /nfs/dbraw/zinc/22/45/72/571224572.db2.gz CGBVLVOUUKBURX-TZMCWYRMSA-N 1 1 369.372 1.248 50 0 FDAAMO CC(C)c1cc(CNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)no1 ZINC000426470869 571226729 /nfs/dbraw/zinc/22/67/29/571226729.db2.gz SGRXABMIMKMHBL-OAHLLOKOSA-N 1 1 369.487 1.313 50 0 FDAAMO CCOCC(=O)N1CCC(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000670441106 571348759 /nfs/dbraw/zinc/34/87/59/571348759.db2.gz XHKJMMZZWKGCSM-ZWKOTPCHSA-N 1 1 365.518 1.642 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)c1c(C)c(C)sc1-n1cnnn1 ZINC000670458611 571355712 /nfs/dbraw/zinc/35/57/12/571355712.db2.gz JJOYOOUTGLEHNX-UHFFFAOYSA-N 1 1 359.459 1.920 50 0 FDAAMO CSCCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000011879672 670608827 /nfs/dbraw/zinc/60/88/27/670608827.db2.gz PONCJQVVIAZIQJ-QGZVFWFLSA-N 1 1 363.527 1.679 50 0 FDAAMO CSCCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000011879672 670608829 /nfs/dbraw/zinc/60/88/29/670608829.db2.gz PONCJQVVIAZIQJ-QGZVFWFLSA-N 1 1 363.527 1.679 50 0 FDAAMO O=S(=O)(C[C@H]1CCCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000170665936 672045159 /nfs/dbraw/zinc/04/51/59/672045159.db2.gz MRTQLMOGOMULNH-QGZVFWFLSA-N 1 1 356.463 1.889 50 0 FDAAMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000529288704 694774355 /nfs/dbraw/zinc/77/43/55/694774355.db2.gz GKRVCXISPWCQFI-GOEBONIOSA-N 1 1 351.397 1.593 50 0 FDAAMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)N1CCN(C(C)=O)CC1 ZINC000088562153 772241328 /nfs/dbraw/zinc/24/13/28/772241328.db2.gz QXUCDMOFWKABOB-SFHVURJKSA-N 1 1 358.486 1.408 50 0 FDAAMO Cc1ccc2nc(Cn3ncc(N4CCC[N@H+](C)CC4)cc3=O)cn2c1 ZINC000095504368 784387707 /nfs/dbraw/zinc/38/77/07/784387707.db2.gz XWCNICYQORDQOJ-UHFFFAOYSA-N 1 1 352.442 1.390 50 0 FDAAMO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH+]1CCN(CC2CC2)CC1 ZINC000020536836 792499764 /nfs/dbraw/zinc/49/97/64/792499764.db2.gz HYQDGNUWCZURLT-NRFANRHFSA-N 1 1 363.546 1.948 50 0 FDAAMO O=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081293870 847322410 /nfs/dbraw/zinc/32/24/10/847322410.db2.gz SWZJMOCERPQSEX-HNNXBMFYSA-N 1 1 370.457 1.840 50 0 FDAAMO C[N@H+](Cc1ccno1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000012054205 873540871 /nfs/dbraw/zinc/54/08/71/873540871.db2.gz YMTHZXOEXYNZKX-QGZVFWFLSA-N 1 1 361.442 1.379 50 0 FDAAMO C[N@@H+](Cc1ccno1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000012054205 873540877 /nfs/dbraw/zinc/54/08/77/873540877.db2.gz YMTHZXOEXYNZKX-QGZVFWFLSA-N 1 1 361.442 1.379 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccccc1OC(F)(F)F ZINC000012612355 877372035 /nfs/dbraw/zinc/37/20/35/877372035.db2.gz UAJNOXHMGJRVOU-CYBMUJFWSA-N 1 1 373.375 1.800 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccccc1OC(F)(F)F ZINC000012612355 877372044 /nfs/dbraw/zinc/37/20/44/877372044.db2.gz UAJNOXHMGJRVOU-CYBMUJFWSA-N 1 1 373.375 1.800 50 0 FDAAMO CCc1nc(C)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(=O)n(C)c3)C2)[nH]1 ZINC000823550030 921924435 /nfs/dbraw/zinc/92/44/35/921924435.db2.gz SYUCTXUKTSYMTF-OAHLLOKOSA-N 1 1 371.485 1.621 50 0 FDAAMO C[C@@H](CCc1nc(CC(N)=O)nn1-c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000826841803 924328578 /nfs/dbraw/zinc/32/85/78/924328578.db2.gz AJKHQRBXAHGUOC-ZDUSSCGKSA-N 1 1 361.421 1.088 50 0 FDAAMO NC(=O)Cc1nc(CCC[NH+]2CCOCC2)n(-c2ccc3c(c2)CCC3)n1 ZINC000826841843 924329834 /nfs/dbraw/zinc/32/98/34/924329834.db2.gz CYPKDTVIOFICPF-UHFFFAOYSA-N 1 1 369.469 1.049 50 0 FDAAMO Cc1ccc[nH+]c1NCCNC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000827695824 924704740 /nfs/dbraw/zinc/70/47/40/924704740.db2.gz FIZNXDANHXWMFZ-INIZCTEOSA-N 1 1 353.426 1.362 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000827861325 924774589 /nfs/dbraw/zinc/77/45/89/924774589.db2.gz DLXBWRYBBAEFAA-UHFFFAOYSA-N 1 1 358.398 1.068 50 0 FDAAMO COCc1nnc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cccn2C)CC3)o1 ZINC000581802521 927586632 /nfs/dbraw/zinc/58/66/32/927586632.db2.gz JFOKQHCJKQJTKR-OAHLLOKOSA-N 1 1 373.457 1.854 50 0 FDAAMO COCc1nnc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cccn2C)CC3)o1 ZINC000581802521 927586638 /nfs/dbraw/zinc/58/66/38/927586638.db2.gz JFOKQHCJKQJTKR-OAHLLOKOSA-N 1 1 373.457 1.854 50 0 FDAAMO Cn1cnnc1CC1CCN(c2nc(N3CCC(O)CC3)cc[nH+]2)CC1 ZINC000065458080 927965406 /nfs/dbraw/zinc/96/54/06/927965406.db2.gz FMIMLXAEOKKOJX-UHFFFAOYSA-N 1 1 357.462 1.025 50 0 FDAAMO CC[NH+]1CCN(c2ccccc2CN[C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000952845906 960143269 /nfs/dbraw/zinc/14/32/69/960143269.db2.gz JMECMCMZXQNBOQ-DOTOQJQBSA-N 1 1 351.516 1.351 50 0 FDAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952873021 960220819 /nfs/dbraw/zinc/22/08/19/960220819.db2.gz USWHBUGTXCFXLM-GOEBONIOSA-N 1 1 369.469 1.793 50 0 FDAAMO CC(C)c1noc([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952964784 960249445 /nfs/dbraw/zinc/24/94/45/960249445.db2.gz QJUUULXFQONQHK-ZIAGYGMSSA-N 1 1 363.462 1.444 50 0 FDAAMO CC(C)c1noc([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000952964784 960249449 /nfs/dbraw/zinc/24/94/49/960249449.db2.gz QJUUULXFQONQHK-ZIAGYGMSSA-N 1 1 363.462 1.444 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CN(C)C(=O)CCN2CCCCCC2=O)C1 ZINC000952965396 960250345 /nfs/dbraw/zinc/25/03/45/960250345.db2.gz HALLLVMTZXVJJK-QGZVFWFLSA-N 1 1 353.507 1.596 50 0 FDAAMO CCN1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000952984863 960303229 /nfs/dbraw/zinc/30/32/29/960303229.db2.gz TXTKPISPKLIZNC-KRWDZBQOSA-N 1 1 355.442 1.389 50 0 FDAAMO O=C(Nc1ncn(C2CCCCC2)n1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133597625 991987297 /nfs/dbraw/zinc/98/72/97/991987297.db2.gz RBFPJADTBAJOAK-HNNXBMFYSA-N 1 1 362.478 1.969 50 0 FDAAMO CC1=NN(c2ccc(C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000114379600 999463604 /nfs/dbraw/zinc/46/36/04/999463604.db2.gz RDAXYADQIPKZDL-MRXNPFEDSA-N 1 1 357.502 1.886 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)COc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091410946 1008015725 /nfs/dbraw/zinc/01/57/25/1008015725.db2.gz UCGWPWSCVXRKRZ-FQEVSTJZSA-N 1 1 359.470 1.611 50 0 FDAAMO COc1cc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cccnc3)C2)ccc1F ZINC000253412522 1008787196 /nfs/dbraw/zinc/78/71/96/1008787196.db2.gz RGJCXRTZPMMSIU-DOTOQJQBSA-N 1 1 359.401 1.452 50 0 FDAAMO COc1cc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cccnc3)C2)ccc1F ZINC000253412522 1008787208 /nfs/dbraw/zinc/78/72/08/1008787208.db2.gz RGJCXRTZPMMSIU-DOTOQJQBSA-N 1 1 359.401 1.452 50 0 FDAAMO CCOC(=O)C[N@@H+]1CC[C@]2(OC)CC[C@@H](NC(=O)c3cc(C)no3)C[C@H]12 ZINC000534631851 540391555 /nfs/dbraw/zinc/39/15/55/540391555.db2.gz PGGZNKHOYXRMEC-QIIPPGSGSA-N 1 1 365.430 1.288 50 0 FDAAMO CCOC(=O)C[N@H+]1CC[C@]2(OC)CC[C@@H](NC(=O)c3cc(C)no3)C[C@H]12 ZINC000534631851 540391557 /nfs/dbraw/zinc/39/15/57/540391557.db2.gz PGGZNKHOYXRMEC-QIIPPGSGSA-N 1 1 365.430 1.288 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000534631092 540391598 /nfs/dbraw/zinc/39/15/98/540391598.db2.gz TUBIWYXQABSVKA-MRXNPFEDSA-N 1 1 358.486 1.724 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3cncc(=O)[nH]3)c2)C1 ZINC000534658209 540396027 /nfs/dbraw/zinc/39/60/27/540396027.db2.gz BFEBNALJNICBKZ-OAHLLOKOSA-N 1 1 370.453 1.525 50 0 FDAAMO CCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000002497252 204042261 /nfs/dbraw/zinc/04/22/61/204042261.db2.gz QBIRMHHMCDOIPT-KRWDZBQOSA-N 1 1 373.453 1.695 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@H]1C ZINC000010357307 204020865 /nfs/dbraw/zinc/02/08/65/204020865.db2.gz PYQWVWNMNUOSNJ-LBPRGKRZSA-N 1 1 352.398 1.332 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000003008231 204073740 /nfs/dbraw/zinc/07/37/40/204073740.db2.gz ZSULKJWFWFQWJD-JKSUJKDBSA-N 1 1 359.536 1.429 50 0 FDAAMO Cc1nn(CC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cccn21 ZINC000006799609 204271287 /nfs/dbraw/zinc/27/12/87/204271287.db2.gz YDNGCKFIZFSJPI-GASCZTMLSA-N 1 1 359.474 1.289 50 0 FDAAMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCCC[C@@H]2C)c(=O)[nH]c1=O ZINC000007525025 204299857 /nfs/dbraw/zinc/29/98/57/204299857.db2.gz WQEWKERAESHGDD-ZDUSSCGKSA-N 1 1 365.478 1.146 50 0 FDAAMO CC(C)COC[C@@H](O)C[N@@H+](CCN1CCOCC1)Cc1cccs1 ZINC000036103297 205004555 /nfs/dbraw/zinc/00/45/55/205004555.db2.gz YWQOUAVPCCSPRF-KRWDZBQOSA-N 1 1 356.532 1.916 50 0 FDAAMO O=C(Cn1cnnn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000038371798 205040347 /nfs/dbraw/zinc/04/03/47/205040347.db2.gz BKNMJAFGKPLICO-UHFFFAOYSA-N 1 1 362.437 1.607 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000072241394 205030716 /nfs/dbraw/zinc/03/07/16/205030716.db2.gz DTBLMWUXNYFWNZ-SJORKVTESA-N 1 1 365.861 1.402 50 0 FDAAMO Cc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1-n1cnnn1 ZINC000040104917 205055838 /nfs/dbraw/zinc/05/58/38/205055838.db2.gz WXGGOELSFBKGOY-HNNXBMFYSA-N 1 1 355.402 1.988 50 0 FDAAMO COc1ccc(CN(C)C(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000040120388 205058824 /nfs/dbraw/zinc/05/88/24/205058824.db2.gz LMCWKEOAPLXGAQ-UHFFFAOYSA-N 1 1 359.470 1.644 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043726976 205103869 /nfs/dbraw/zinc/10/38/69/205103869.db2.gz PVFANNGMTOWGTE-MHORFTMASA-N 1 1 365.433 1.815 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043726976 205103874 /nfs/dbraw/zinc/10/38/74/205103874.db2.gz PVFANNGMTOWGTE-MHORFTMASA-N 1 1 365.433 1.815 50 0 FDAAMO CCOC(=O)CN(C(=O)C[NH+]1CCC2(CC1)OCCO2)c1ccccc1 ZINC000047496624 205148079 /nfs/dbraw/zinc/14/80/79/205148079.db2.gz UVFYQLPBTRTATE-UHFFFAOYSA-N 1 1 362.426 1.422 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Cl)cn1 ZINC000054887384 205203103 /nfs/dbraw/zinc/20/31/03/205203103.db2.gz GIAMXAOSLYOEHB-ZDUSSCGKSA-N 1 1 366.849 1.244 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)Nc1ccc(Cl)cn1 ZINC000054887384 205203109 /nfs/dbraw/zinc/20/31/09/205203109.db2.gz GIAMXAOSLYOEHB-ZDUSSCGKSA-N 1 1 366.849 1.244 50 0 FDAAMO CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC[N@@H+](C)CC1 ZINC000065426484 205350654 /nfs/dbraw/zinc/35/06/54/205350654.db2.gz WQKLKXANLQCMBX-QGZVFWFLSA-N 1 1 361.486 1.701 50 0 FDAAMO CCCC[C@@]1(C(=O)OC)[NH2+][C@H](C2CCOCC2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000065526470 205356799 /nfs/dbraw/zinc/35/67/99/205356799.db2.gz HGXNPOIURWHLSD-DEXNDLTESA-N 1 1 366.458 1.108 50 0 FDAAMO Cc1ccc(-c2nnc(C[NH2+]CCc3nc(-c4cccnc4)n[nH]3)o2)n1C ZINC000065526968 205357526 /nfs/dbraw/zinc/35/75/26/205357526.db2.gz FVFNATNRZDNSIP-UHFFFAOYSA-N 1 1 364.413 1.896 50 0 FDAAMO CC(C)Cn1c2ccccc2nc1CN1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000065381321 205343043 /nfs/dbraw/zinc/34/30/43/205343043.db2.gz RTYASYNIWLDVGH-PMACEKPBSA-N 1 1 371.529 1.485 50 0 FDAAMO O=C(Cn1c(=O)oc2ccccc21)N1CC[NH+](CCc2ccncc2)CC1 ZINC000065385824 205343760 /nfs/dbraw/zinc/34/37/60/205343760.db2.gz UAEXUGOSGHLHQP-UHFFFAOYSA-N 1 1 366.421 1.376 50 0 FDAAMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC=C(c2cnn(CCO)c2)CC1 ZINC000065395072 205345114 /nfs/dbraw/zinc/34/51/14/205345114.db2.gz YLOLCBDXCZCBSG-MRXNPFEDSA-N 1 1 366.465 1.942 50 0 FDAAMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC=C(c2cnn(CCO)c2)CC1 ZINC000065395072 205345119 /nfs/dbraw/zinc/34/51/19/205345119.db2.gz YLOLCBDXCZCBSG-MRXNPFEDSA-N 1 1 366.465 1.942 50 0 FDAAMO Cc1nc2c(c(NCCc3nc4ccccc4c(=O)[nH]3)n1)CC[N@@H+](C)CC2 ZINC000065410930 205349013 /nfs/dbraw/zinc/34/90/13/205349013.db2.gz PELXEUVIZFZOJM-UHFFFAOYSA-N 1 1 364.453 1.707 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067473485 205373384 /nfs/dbraw/zinc/37/33/84/205373384.db2.gz OCZKZRGOMLTEBN-QGZVFWFLSA-N 1 1 369.469 1.751 50 0 FDAAMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC2(CC1)NCCNC2=O ZINC000067603960 205376623 /nfs/dbraw/zinc/37/66/23/205376623.db2.gz GHBMNDHRTURSFE-GOSISDBHSA-N 1 1 370.497 1.122 50 0 FDAAMO Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)s1 ZINC000067621749 205377693 /nfs/dbraw/zinc/37/76/93/205377693.db2.gz AJFHFFWPVMYSJV-UHFFFAOYSA-N 1 1 357.443 1.886 50 0 FDAAMO Cc1cc(C)c(C)c2occ(CC(=O)N3CCC4(CC3)[NH2+]CCNC4=O)c21 ZINC000067654454 205380592 /nfs/dbraw/zinc/38/05/92/205380592.db2.gz VSUHAFBSNMHJRA-UHFFFAOYSA-N 1 1 369.465 1.981 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CC=C(c2cnn(Cc3ccc4c(c3)OCO4)c2)CC1 ZINC000067739825 205388085 /nfs/dbraw/zinc/38/80/85/205388085.db2.gz VIQNGALJGZFJQS-UHFFFAOYSA-N 1 1 368.437 1.837 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CC=C(c2cnn(Cc3ccc4c(c3)OCO4)c2)CC1 ZINC000067739825 205388089 /nfs/dbraw/zinc/38/80/89/205388089.db2.gz VIQNGALJGZFJQS-UHFFFAOYSA-N 1 1 368.437 1.837 50 0 FDAAMO C[C@@H](NC(=O)N1CCC2(CC1)[NH2+]CCNC2=O)c1ccc(Cl)cc1 ZINC000067754934 205388629 /nfs/dbraw/zinc/38/86/29/205388629.db2.gz ZUZXHCCZAWMNTA-GFCCVEGCSA-N 1 1 350.850 1.665 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@H]1O)c1cccnc1 ZINC000077419395 205598985 /nfs/dbraw/zinc/59/89/85/205598985.db2.gz NRLIDTFWTJNOPM-WOJBJXKFSA-N 1 1 362.433 1.995 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000048367505 206084817 /nfs/dbraw/zinc/08/48/17/206084817.db2.gz UUQGUTTVIOESHN-CQSZACIVSA-N 1 1 360.458 1.423 50 0 FDAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000006733565 206203512 /nfs/dbraw/zinc/20/35/12/206203512.db2.gz RNQFBQHVXRAHLH-IPMKNSEASA-N 1 1 354.450 1.845 50 0 biogenic FDAAMO CCn1cnc2c(c1=O)CC[N@H+](C[C@@H](O)COc1cc(C)cc(C)c1)C2 ZINC000170619493 206275518 /nfs/dbraw/zinc/27/55/18/206275518.db2.gz ZBXOFRDXHBICAC-MRXNPFEDSA-N 1 1 357.454 1.678 50 0 FDAAMO CCn1cnc2c(c1=O)CC[N@@H+](C[C@@H](O)COc1cc(C)cc(C)c1)C2 ZINC000170619493 206275520 /nfs/dbraw/zinc/27/55/20/206275520.db2.gz ZBXOFRDXHBICAC-MRXNPFEDSA-N 1 1 357.454 1.678 50 0 FDAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000011695631 206285138 /nfs/dbraw/zinc/28/51/38/206285138.db2.gz WCHVDIQFQFHRAE-UHFFFAOYSA-N 1 1 374.441 1.891 50 0 FDAAMO C[N@@H+](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccs1 ZINC000014139463 206309914 /nfs/dbraw/zinc/30/99/14/206309914.db2.gz BLOZNWYRAMKLQL-UHFFFAOYSA-N 1 1 353.469 1.856 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000016482815 206319407 /nfs/dbraw/zinc/31/94/07/206319407.db2.gz GSGSVSHHYWUAIE-ZDUSSCGKSA-N 1 1 363.414 1.618 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc(OC)cc2)C1 ZINC000016482815 206319412 /nfs/dbraw/zinc/31/94/12/206319412.db2.gz GSGSVSHHYWUAIE-ZDUSSCGKSA-N 1 1 363.414 1.618 50 0 FDAAMO CCn1cc(C(=O)NCCn2c[nH+]c(C)c2C)c(=O)c2ccc(C)nc21 ZINC000215921200 206351280 /nfs/dbraw/zinc/35/12/80/206351280.db2.gz XDSKTHVNWLYMJM-UHFFFAOYSA-N 1 1 353.426 1.968 50 0 FDAAMO O=C(C[C@H]1CCc2ccccc21)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000216397236 206357418 /nfs/dbraw/zinc/35/74/18/206357418.db2.gz MERSZEDNMGIWIJ-MRXNPFEDSA-N 1 1 355.482 1.966 50 0 FDAAMO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](CCn1cc(Cl)cn1)C2 ZINC000218815015 206374547 /nfs/dbraw/zinc/37/45/47/206374547.db2.gz GYWVBVIHNCAZBX-OAHLLOKOSA-N 1 1 361.837 1.064 50 0 FDAAMO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@@H+](CCn1cc(Cl)cn1)C2 ZINC000218815015 206374552 /nfs/dbraw/zinc/37/45/52/206374552.db2.gz GYWVBVIHNCAZBX-OAHLLOKOSA-N 1 1 361.837 1.064 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)Cn2c[nH+]c(C)c2C)C3)cn1 ZINC000218882988 206375744 /nfs/dbraw/zinc/37/57/44/206375744.db2.gz OQQBBIYMIMSORH-UHFFFAOYSA-N 1 1 366.425 1.879 50 0 FDAAMO Cn1c(=O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2cccnc21 ZINC000022998113 206395765 /nfs/dbraw/zinc/39/57/65/206395765.db2.gz MYVDDCNROQDGGQ-UHFFFAOYSA-N 1 1 362.433 1.892 50 0 FDAAMO NC(=O)c1ccc(C(F)(F)F)nc1N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000077358150 132182567 /nfs/dbraw/zinc/18/25/67/132182567.db2.gz OETAKJWWICXEHU-LBPRGKRZSA-N 1 1 372.391 1.625 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3ccnc(C)n3)C2)n1C ZINC000095360429 132207783 /nfs/dbraw/zinc/20/77/83/132207783.db2.gz WLFZQGZEUNJDMN-HNNXBMFYSA-N 1 1 352.446 1.851 50 0 FDAAMO O=C([C@H](c1cccnc1)[NH+]1CCCC1)N1CCN(c2cnccn2)CC1 ZINC000095372055 132208772 /nfs/dbraw/zinc/20/87/72/132208772.db2.gz IZFRRUWHEXQJPZ-SFHVURJKSA-N 1 1 352.442 1.357 50 0 FDAAMO O=C1[C@H](N2CC[NH+](CCn3ccnc3)CC2)CCCN1c1ccccc1 ZINC000095999704 132216712 /nfs/dbraw/zinc/21/67/12/132216712.db2.gz VAIBABJEAYZIBY-LJQANCHMSA-N 1 1 353.470 1.696 50 0 FDAAMO O[C@H]1CCN(c2cc[nH+]c(N3CCC(OCc4cccnc4)CC3)n2)C1 ZINC000096150839 132220588 /nfs/dbraw/zinc/22/05/88/132220588.db2.gz FTHJDJVSPHFRIW-INIZCTEOSA-N 1 1 355.442 1.628 50 0 FDAAMO O[C@@H]1CCCN(c2ccnc(N3CCC[N@@H+](Cc4cccnc4)CC3)n2)C1 ZINC000108201309 132243027 /nfs/dbraw/zinc/24/30/27/132243027.db2.gz PSNUUCYRIPMFTB-GOSISDBHSA-N 1 1 368.485 1.545 50 0 FDAAMO c1nc2ncnc(N3CC[NH+](Cc4cnn(-c5ccccc5)c4)CC3)c2[nH]1 ZINC000215183124 132269766 /nfs/dbraw/zinc/26/97/66/132269766.db2.gz GWWWHGYYKXKIOJ-UHFFFAOYSA-N 1 1 360.425 1.861 50 0 FDAAMO Cc1ccc2cc(CN3CC[NH2+]CC3)c(N3CCN(CCO)CC3)nc2c1 ZINC000220686654 132275846 /nfs/dbraw/zinc/27/58/46/132275846.db2.gz KKPWLCPQBHNKRQ-UHFFFAOYSA-N 1 1 369.513 1.063 50 0 FDAAMO CC[N@H+]1CCCN(C(=O)c2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000244646942 132290022 /nfs/dbraw/zinc/29/00/22/132290022.db2.gz GSEFGIFFUYPDNL-UHFFFAOYSA-N 1 1 365.499 1.089 50 0 FDAAMO Cc1cc(N2CC[NH+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)nc(N)n1 ZINC000299771475 132298782 /nfs/dbraw/zinc/29/87/82/132298782.db2.gz YONRISQEIFWPCS-INIZCTEOSA-N 1 1 366.469 1.542 50 0 FDAAMO Cc1cc(N2CCN(C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000299771475 132298784 /nfs/dbraw/zinc/29/87/84/132298784.db2.gz YONRISQEIFWPCS-INIZCTEOSA-N 1 1 366.469 1.542 50 0 FDAAMO C[NH+]1CCN(CCCCNC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000031151847 136117226 /nfs/dbraw/zinc/11/72/26/136117226.db2.gz QQZNBCTYWYMKIG-UHFFFAOYSA-N 1 1 359.518 1.546 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(c3cc(N)nc(N)n3)C[C@@H]2CCO)cc1 ZINC000072419909 136145788 /nfs/dbraw/zinc/14/57/88/136145788.db2.gz ZDDJKASSFFUNHW-HNNXBMFYSA-N 1 1 372.473 1.113 50 0 FDAAMO COC1CCN(c2nc(N)[nH+]c3c2CCN(c2cnccn2)CC3)CC1 ZINC000072419221 136145902 /nfs/dbraw/zinc/14/59/02/136145902.db2.gz ILZVBIJTCYRSKV-UHFFFAOYSA-N 1 1 355.446 1.069 50 0 FDAAMO Nc1nc2c(c(N3CCSCC3)n1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000072481164 136149729 /nfs/dbraw/zinc/14/97/29/136149729.db2.gz YLKDZDQSNZYQMS-UHFFFAOYSA-N 1 1 356.499 1.608 50 0 FDAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000330803996 259163631 /nfs/dbraw/zinc/16/36/31/259163631.db2.gz IQQMBQULKYASOG-ZIAGYGMSSA-N 1 1 357.248 1.319 50 0 FDAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000330803996 259163632 /nfs/dbraw/zinc/16/36/32/259163632.db2.gz IQQMBQULKYASOG-ZIAGYGMSSA-N 1 1 357.248 1.319 50 0 FDAAMO O=C(C1CCN(c2cnccn2)CC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329185956 259083472 /nfs/dbraw/zinc/08/34/72/259083472.db2.gz PRSGIPAIOSPLQO-UHFFFAOYSA-N 1 1 354.458 1.897 50 0 FDAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000330803994 259163579 /nfs/dbraw/zinc/16/35/79/259163579.db2.gz IQQMBQULKYASOG-KGLIPLIRSA-N 1 1 357.248 1.319 50 0 FDAAMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CCO)c2ccccc2Br)C1 ZINC000330803994 259163580 /nfs/dbraw/zinc/16/35/80/259163580.db2.gz IQQMBQULKYASOG-KGLIPLIRSA-N 1 1 357.248 1.319 50 0 FDAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2(O)CCS(=O)(=O)CC2)c1 ZINC000331897938 259227459 /nfs/dbraw/zinc/22/74/59/259227459.db2.gz JHRUOKZFZALXRA-MRXNPFEDSA-N 1 1 369.483 1.780 50 0 FDAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC2(O)CCS(=O)(=O)CC2)c1 ZINC000331897938 259227460 /nfs/dbraw/zinc/22/74/60/259227460.db2.gz JHRUOKZFZALXRA-MRXNPFEDSA-N 1 1 369.483 1.780 50 0 FDAAMO C[N@@H+](CCC1CCOCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000011661157 518566476 /nfs/dbraw/zinc/56/64/76/518566476.db2.gz LEGXCTSBIOYNBW-ROUUACIJSA-N 1 1 368.499 1.169 50 0 FDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccccc1Cl)[NH+](C)C ZINC000011899005 518578053 /nfs/dbraw/zinc/57/80/53/518578053.db2.gz UXUAFXCHLZMXAC-INIZCTEOSA-N 1 1 362.861 1.714 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000014915480 518701850 /nfs/dbraw/zinc/70/18/50/518701850.db2.gz QZTJICFPDRZOHI-NWDGAFQWSA-N 1 1 360.414 1.458 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000014915480 518701856 /nfs/dbraw/zinc/70/18/56/518701856.db2.gz QZTJICFPDRZOHI-NWDGAFQWSA-N 1 1 360.414 1.458 50 0 FDAAMO CCc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 ZINC000014998636 518705437 /nfs/dbraw/zinc/70/54/37/518705437.db2.gz CAWVATWOCLQNGS-GOSISDBHSA-N 1 1 371.485 1.790 50 0 FDAAMO C[N@@H+](Cc1ccno1)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000015067931 518706852 /nfs/dbraw/zinc/70/68/52/518706852.db2.gz VSOMJSGMIJJVFV-GOSISDBHSA-N 1 1 365.380 1.938 50 0 FDAAMO C[C@@H]1C[N@H+](C2(C(=O)N3CCC(CO)CC3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000015080708 518708841 /nfs/dbraw/zinc/70/88/41/518708841.db2.gz UBZJIIAZXLJUKH-CALCHBBNSA-N 1 1 372.509 1.864 50 0 FDAAMO C[C@@H]1C[N@@H+](C2(C(=O)N3CCC(CO)CC3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000015080708 518708847 /nfs/dbraw/zinc/70/88/47/518708847.db2.gz UBZJIIAZXLJUKH-CALCHBBNSA-N 1 1 372.509 1.864 50 0 FDAAMO CC(=O)c1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1 ZINC000015778096 518735492 /nfs/dbraw/zinc/73/54/92/518735492.db2.gz UHJAXDIOSIXVLY-UHFFFAOYSA-N 1 1 353.426 1.992 50 0 FDAAMO CCN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020046289 518843920 /nfs/dbraw/zinc/84/39/20/518843920.db2.gz GELJTSWDEGFLTL-UHFFFAOYSA-N 1 1 359.879 1.125 50 0 FDAAMO CCCC[N@@H+](C)CCCNC(=O)CCC(=O)N1CCCn2nc(C)cc21 ZINC000021532804 518875886 /nfs/dbraw/zinc/87/58/86/518875886.db2.gz TXJZBGUIKPMFOQ-UHFFFAOYSA-N 1 1 363.506 1.947 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCNC(=O)NC2CCCCC2)C1 ZINC000022694134 518908011 /nfs/dbraw/zinc/90/80/11/518908011.db2.gz NGRJBKCGPQXWSX-QGZVFWFLSA-N 1 1 368.522 1.481 50 0 FDAAMO CNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022800486 518911821 /nfs/dbraw/zinc/91/18/21/518911821.db2.gz IRIJBBVEEGDDPN-UHFFFAOYSA-N 1 1 358.364 1.279 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022804650 518914214 /nfs/dbraw/zinc/91/42/14/518914214.db2.gz JMUBXXLPKRTCDC-CQSZACIVSA-N 1 1 372.494 1.992 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000022926454 518921541 /nfs/dbraw/zinc/92/15/41/518921541.db2.gz JAHMHDZWQYHLPW-UHFFFAOYSA-N 1 1 365.437 1.613 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1COc2ccccc2O1 ZINC000027579880 519187169 /nfs/dbraw/zinc/18/71/69/519187169.db2.gz KIKAIXZOSFOIOV-GOSISDBHSA-N 1 1 360.454 1.978 50 0 FDAAMO COc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(OC)c1OC ZINC000028013687 519212939 /nfs/dbraw/zinc/21/29/39/519212939.db2.gz HEFDYAOBRHUFEJ-AWEZNQCLSA-N 1 1 366.458 1.799 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1-c1cc(=O)[nH]c(N2CCCCC2)n1 ZINC000036235677 519619041 /nfs/dbraw/zinc/61/90/41/519619041.db2.gz RTNGSVGVJMSJHC-UHFFFAOYSA-N 1 1 369.473 1.277 50 0 FDAAMO CCC[C@H](CC(=O)OC)NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000089365120 521073266 /nfs/dbraw/zinc/07/32/66/521073266.db2.gz TXBCRPVHSZEUFM-GOSISDBHSA-N 1 1 361.486 1.652 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)NCc3ccncc3)Cc3ccccc3C2)CC1 ZINC000019867513 521671790 /nfs/dbraw/zinc/67/17/90/521671790.db2.gz HLURUHXVSXEHFW-UHFFFAOYSA-N 1 1 364.493 1.873 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000252346767 521970249 /nfs/dbraw/zinc/97/02/49/521970249.db2.gz BAUVBXLDNZRGPD-FZDIXFNVSA-N 1 1 373.497 1.527 50 0 FDAAMO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000070012670 521994049 /nfs/dbraw/zinc/99/40/49/521994049.db2.gz FZPOHNVUCVENPA-ZDUSSCGKSA-N 1 1 365.503 1.812 50 0 FDAAMO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000070012670 521994063 /nfs/dbraw/zinc/99/40/63/521994063.db2.gz FZPOHNVUCVENPA-ZDUSSCGKSA-N 1 1 365.503 1.812 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CC1 ZINC000070715076 522018964 /nfs/dbraw/zinc/01/89/64/522018964.db2.gz IULKKMJNMNRVLM-KRWDZBQOSA-N 1 1 355.438 1.785 50 0 FDAAMO COCCc1noc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)n1 ZINC000091504153 522043220 /nfs/dbraw/zinc/04/32/20/522043220.db2.gz HBGRZEUVIKUZHT-LJQANCHMSA-N 1 1 362.474 1.873 50 0 FDAAMO NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CC[N@@H+](C[C@@H]2CCOC2)C3)cc1 ZINC000071661762 522117265 /nfs/dbraw/zinc/11/72/65/522117265.db2.gz WJFIKNBKMFNAOE-LBPRGKRZSA-N 1 1 354.410 1.343 50 0 FDAAMO COCCN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071745591 522119441 /nfs/dbraw/zinc/11/94/41/522119441.db2.gz ZSIMQEVYOFFIAI-GOSISDBHSA-N 1 1 360.502 1.521 50 0 FDAAMO O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000071745388 522120707 /nfs/dbraw/zinc/12/07/07/522120707.db2.gz YAOQKWFCMJDKIJ-CQSZACIVSA-N 1 1 371.441 1.272 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000071738664 522121381 /nfs/dbraw/zinc/12/13/81/522121381.db2.gz BUAJORCRYFVCMT-QGZVFWFLSA-N 1 1 374.485 1.161 50 0 FDAAMO CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750725 522123505 /nfs/dbraw/zinc/12/35/05/522123505.db2.gz RFKHQHMNULMTDN-GOSISDBHSA-N 1 1 360.502 1.209 50 0 FDAAMO CN1CCC(Cc2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000071776750 522134380 /nfs/dbraw/zinc/13/43/80/522134380.db2.gz YMADGCHIKRKHFZ-CQSZACIVSA-N 1 1 352.504 1.231 50 0 FDAAMO O[C@@H](CNc1nc(-c2cccnc2)nc2c1CNC2)C[NH+]1CCCCCC1 ZINC000072152332 522177148 /nfs/dbraw/zinc/17/71/48/522177148.db2.gz HKTVGXLLQZTXKV-INIZCTEOSA-N 1 1 368.485 1.791 50 0 FDAAMO NC(=O)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(F)cc3F)C2)C1=O ZINC000072152906 522180951 /nfs/dbraw/zinc/18/09/51/522180951.db2.gz SAMSKXPQBRCEIL-HXUWFJFHSA-N 1 1 371.387 1.940 50 0 FDAAMO CC(=O)Nc1ccc2nc(C[N@@H+]3CCN[C@@H](C(=O)NC4CC4)C3)ccc2c1 ZINC000072172578 522199818 /nfs/dbraw/zinc/19/98/18/522199818.db2.gz MTXDYZQNKFJKEM-LJQANCHMSA-N 1 1 367.453 1.246 50 0 FDAAMO CC(=O)Nc1ccc2nc(C[N@H+]3CCN[C@@H](C(=O)NC4CC4)C3)ccc2c1 ZINC000072172578 522199835 /nfs/dbraw/zinc/19/98/35/522199835.db2.gz MTXDYZQNKFJKEM-LJQANCHMSA-N 1 1 367.453 1.246 50 0 FDAAMO O=C(COc1ccccc1)NC[C@]1(O)CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC000072171390 522200546 /nfs/dbraw/zinc/20/05/46/522200546.db2.gz YKPGCRRKEJRYBV-IBGZPJMESA-N 1 1 358.442 1.322 50 0 FDAAMO O=C(COc1ccccc1)NC[C@]1(O)CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC000072171390 522200554 /nfs/dbraw/zinc/20/05/54/522200554.db2.gz YKPGCRRKEJRYBV-IBGZPJMESA-N 1 1 358.442 1.322 50 0 FDAAMO O=C(COc1ccccc1)NC[C@]1(O)CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC000072171390 522200561 /nfs/dbraw/zinc/20/05/61/522200561.db2.gz YKPGCRRKEJRYBV-IBGZPJMESA-N 1 1 358.442 1.322 50 0 FDAAMO O=C([C@H]1[NH2+]CCc2nc[nH]c21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072425082 522259777 /nfs/dbraw/zinc/25/97/77/522259777.db2.gz AMSSLNBFHSFTJP-QTWIXLPOSA-N 1 1 351.454 1.454 50 0 FDAAMO Cc1nc(C[N@@H+]2CCc3ncnc(NCc4noc(C)n4)c3CC2)co1 ZINC000072428053 522264753 /nfs/dbraw/zinc/26/47/53/522264753.db2.gz OELRCNQPTADZGD-UHFFFAOYSA-N 1 1 355.402 1.677 50 0 FDAAMO Cc1nc(C[N@H+]2CCc3ncnc(NCc4noc(C)n4)c3CC2)co1 ZINC000072428053 522264767 /nfs/dbraw/zinc/26/47/67/522264767.db2.gz OELRCNQPTADZGD-UHFFFAOYSA-N 1 1 355.402 1.677 50 0 FDAAMO CC(C)C(=O)NCC(=O)N(C)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072433882 522272988 /nfs/dbraw/zinc/27/29/88/522272988.db2.gz AVGCFVHIKRLHMI-SFHVURJKSA-N 1 1 357.498 1.849 50 0 FDAAMO COc1cccc(-n2cc(CNC(=O)[C@H]3[NH2+]CCc4nc[nH]c43)cn2)c1 ZINC000072474918 522296112 /nfs/dbraw/zinc/29/61/12/522296112.db2.gz XXOOYVDMNICUQX-KRWDZBQOSA-N 1 1 352.398 1.107 50 0 FDAAMO Cc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3C)c(=O)n(-c2ccccc2)n1C ZINC000072480874 522306619 /nfs/dbraw/zinc/30/66/19/522306619.db2.gz WVOYJWSEIVRRPU-DOTOQJQBSA-N 1 1 354.454 1.537 50 0 FDAAMO CC(C)(O)CCc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000072480134 522306878 /nfs/dbraw/zinc/30/68/78/522306878.db2.gz MNPAJHSPCUPMBX-QGZVFWFLSA-N 1 1 361.486 1.317 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N[C@H]1CCCCN(C(=O)c2cccnc2)C1 ZINC000082166507 522579440 /nfs/dbraw/zinc/57/94/40/522579440.db2.gz HSAOIRSCCUSWRA-INIZCTEOSA-N 1 1 355.442 1.652 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCN(c2ccccc2OC)C(=O)C1 ZINC000082120382 522582640 /nfs/dbraw/zinc/58/26/40/522582640.db2.gz MGFMDLNGLLXWDY-UHFFFAOYSA-N 1 1 356.426 1.720 50 0 FDAAMO C[C@](O)(CNC(=O)c1cccn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000075092745 522876306 /nfs/dbraw/zinc/87/63/06/522876306.db2.gz JZFNIKCUURDBAB-FQEVSTJZSA-N 1 1 357.454 1.349 50 0 FDAAMO COCc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)Cc3cnn(C)c3)c2)n1 ZINC000020909744 522903421 /nfs/dbraw/zinc/90/34/21/522903421.db2.gz TVQNBBJIKHRZCE-UHFFFAOYSA-N 1 1 353.426 1.949 50 0 FDAAMO COCc1cc(=O)[nH]c(-c2cccc(C[N@@H+](C)Cc3cnn(C)c3)c2)n1 ZINC000020909744 522903426 /nfs/dbraw/zinc/90/34/26/522903426.db2.gz TVQNBBJIKHRZCE-UHFFFAOYSA-N 1 1 353.426 1.949 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(c2nccc(N)n2)CC1 ZINC000091594007 523206299 /nfs/dbraw/zinc/20/62/99/523206299.db2.gz BIXUZOUIPZJYTH-UHFFFAOYSA-N 1 1 367.461 1.607 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc3nsnc3c2)C[C@H]1O)c1cccnc1 ZINC000077323499 523296180 /nfs/dbraw/zinc/29/61/80/523296180.db2.gz WODWAIXLZFHSOS-NVXWUHKLSA-N 1 1 369.450 1.452 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc3nsnc3c2)C[C@H]1O)c1cccnc1 ZINC000077323499 523296182 /nfs/dbraw/zinc/29/61/82/523296182.db2.gz WODWAIXLZFHSOS-NVXWUHKLSA-N 1 1 369.450 1.452 50 0 FDAAMO O=C(c1ccc(-n2cnnn2)cc1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077422073 523332350 /nfs/dbraw/zinc/33/23/50/523332350.db2.gz HTLXGTKTEYOBCJ-UHFFFAOYSA-N 1 1 363.425 1.405 50 0 FDAAMO O=C(c1ccc(-n2cnnn2)cc1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077422073 523332358 /nfs/dbraw/zinc/33/23/58/523332358.db2.gz HTLXGTKTEYOBCJ-UHFFFAOYSA-N 1 1 363.425 1.405 50 0 FDAAMO CC(C)CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1=O ZINC000077485683 523357660 /nfs/dbraw/zinc/35/76/60/523357660.db2.gz OVTVWADJLIGVPK-SFHVURJKSA-N 1 1 358.486 1.620 50 0 FDAAMO CC(C)CN1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1=O ZINC000077485683 523357667 /nfs/dbraw/zinc/35/76/67/523357667.db2.gz OVTVWADJLIGVPK-SFHVURJKSA-N 1 1 358.486 1.620 50 0 FDAAMO CCOC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)o1 ZINC000077488005 523359698 /nfs/dbraw/zinc/35/96/98/523359698.db2.gz HICXVXXHXBDLLD-IBGZPJMESA-N 1 1 364.442 1.653 50 0 FDAAMO Cc1ccc2nc(C)cc(C(=O)N3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)c2c1 ZINC000077524525 523374226 /nfs/dbraw/zinc/37/42/26/523374226.db2.gz ACAZVLCKEBMTIZ-PMACEKPBSA-N 1 1 369.465 1.759 50 0 FDAAMO Cc1ccc2nc(C)cc(C(=O)N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)c2c1 ZINC000077524525 523374239 /nfs/dbraw/zinc/37/42/39/523374239.db2.gz ACAZVLCKEBMTIZ-PMACEKPBSA-N 1 1 369.465 1.759 50 0 FDAAMO CC[C@H]1[C@H](C(=O)NCC[N@@H+](C)CCOC)CCN1C(=O)OC(C)(C)C ZINC000390832862 523430103 /nfs/dbraw/zinc/43/01/03/523430103.db2.gz HEWNMLWNUFACTH-CABCVRRESA-N 1 1 357.495 1.716 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cccc3c2ccn3C)C1 ZINC000091603467 523620966 /nfs/dbraw/zinc/62/09/66/523620966.db2.gz JVMBQULYKXVSOJ-SJORKVTESA-N 1 1 373.497 1.827 50 0 FDAAMO Cc1ccc(-c2[nH]c(CNC(=O)[C@@H]([NH3+])[C@@H](C)O)nc2-c2ccccn2)cc1 ZINC000067883704 523621377 /nfs/dbraw/zinc/62/13/77/523621377.db2.gz FEROQSJSIUBJLJ-DYVFJYSZSA-N 1 1 365.437 1.771 50 0 FDAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067908960 523629332 /nfs/dbraw/zinc/62/93/32/523629332.db2.gz GNDQHFWTKKROKC-UHFFFAOYSA-N 1 1 356.348 1.791 50 0 FDAAMO CN1CC[NH+](CCC(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)CC1 ZINC000020910716 523895811 /nfs/dbraw/zinc/89/58/11/523895811.db2.gz QBDKEGZLIXTJIV-ZDUSSCGKSA-N 1 1 350.488 1.148 50 0 FDAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc1C ZINC000020327668 524033435 /nfs/dbraw/zinc/03/34/35/524033435.db2.gz UDJMSBYZPBABHW-IBGZPJMESA-N 1 1 358.486 1.806 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)cc1C ZINC000020327668 524033438 /nfs/dbraw/zinc/03/34/38/524033438.db2.gz UDJMSBYZPBABHW-IBGZPJMESA-N 1 1 358.486 1.806 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@@H]1CO ZINC000091459938 524060875 /nfs/dbraw/zinc/06/08/75/524060875.db2.gz ZEZXIUCNCUCPRM-HUUCEWRRSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2)C[C@@H]1CO ZINC000091459938 524060879 /nfs/dbraw/zinc/06/08/79/524060879.db2.gz ZEZXIUCNCUCPRM-HUUCEWRRSA-N 1 1 371.884 1.653 50 0 FDAAMO Cc1cc(=O)n(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)nc1C ZINC000082097626 524208587 /nfs/dbraw/zinc/20/85/87/524208587.db2.gz BGQLURKGUBCYHW-SFHVURJKSA-N 1 1 354.454 1.375 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)cc2C1 ZINC000082096773 524209333 /nfs/dbraw/zinc/20/93/33/524209333.db2.gz WTAMOHMQDHKTDM-KRWDZBQOSA-N 1 1 374.485 1.991 50 0 FDAAMO C[C@H](C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)N1CC[NH+](C)CC1 ZINC000083967036 524280065 /nfs/dbraw/zinc/28/00/65/524280065.db2.gz NCKZOGRHSOSJQA-UKRRQHHQSA-N 1 1 364.877 1.197 50 0 FDAAMO CCOC(=O)Cc1csc(NC(=O)N2CC[NH+]([C@H](CC)CO)CC2)n1 ZINC000084733785 524326086 /nfs/dbraw/zinc/32/60/86/524326086.db2.gz WKDDJINQNTYCAL-CYBMUJFWSA-N 1 1 370.475 1.169 50 0 FDAAMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085468288 524359684 /nfs/dbraw/zinc/35/96/84/524359684.db2.gz RGUAGJKOTNXYQO-OAHLLOKOSA-N 1 1 352.504 1.118 50 0 FDAAMO C[C@@H]1C[N@H+](C)CCN1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085468288 524359688 /nfs/dbraw/zinc/35/96/88/524359688.db2.gz RGUAGJKOTNXYQO-OAHLLOKOSA-N 1 1 352.504 1.118 50 0 FDAAMO C[C@@H]1C[N@@H+](C)CCN1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085468288 524359696 /nfs/dbraw/zinc/35/96/96/524359696.db2.gz RGUAGJKOTNXYQO-OAHLLOKOSA-N 1 1 352.504 1.118 50 0 FDAAMO CC(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000085533916 524361293 /nfs/dbraw/zinc/36/12/93/524361293.db2.gz FRRRSMSRWNYFHC-INIZCTEOSA-N 1 1 367.490 1.567 50 0 FDAAMO Cc1cccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3c2cnn3C)c1 ZINC000020560413 524699802 /nfs/dbraw/zinc/69/98/02/524699802.db2.gz XNZQAHKYMOFSCO-UHFFFAOYSA-N 1 1 367.457 1.530 50 0 FDAAMO C[N@H+]1CCN(Cc2noc(-c3ccccc3)n2)C[C@]12CCNC(=O)CC2 ZINC000091468585 524710025 /nfs/dbraw/zinc/71/00/25/524710025.db2.gz PXQFBFRDQZYBLS-IBGZPJMESA-N 1 1 355.442 1.523 50 0 FDAAMO CNC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(CCOC)C3=O)cc1 ZINC000091475195 524712228 /nfs/dbraw/zinc/71/22/28/524712228.db2.gz BBOGEVHGISGQGA-HXUWFJFHSA-N 1 1 359.470 1.507 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)CCc3cccnc3)CC[N@H+]2C)CCC1=O ZINC000091503654 524717597 /nfs/dbraw/zinc/71/75/97/524717597.db2.gz DAIKAZPINUGKTF-FQEVSTJZSA-N 1 1 358.486 1.559 50 0 FDAAMO OC[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@H]1C[NH+]1CCOCC1 ZINC000091550460 524724875 /nfs/dbraw/zinc/72/48/75/524724875.db2.gz CJVDLSWOVBBSPQ-CHWSQXEVSA-N 1 1 360.285 1.761 50 0 FDAAMO CCC[C@H]1C[N@@H+](CCCSC)C[C@@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC000091563392 524729296 /nfs/dbraw/zinc/72/92/96/524729296.db2.gz RQQRARSMYZAVLQ-ZFWWWQNUSA-N 1 1 352.504 1.364 50 0 FDAAMO Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091625027 524745002 /nfs/dbraw/zinc/74/50/02/524745002.db2.gz HQOCQDCPFCKNIR-QGZVFWFLSA-N 1 1 369.469 1.434 50 0 FDAAMO Cc1nc(C2CC2)ncc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091663605 524756967 /nfs/dbraw/zinc/75/69/67/524756967.db2.gz ZIVNFVLXHLBHJF-IBGZPJMESA-N 1 1 357.458 1.089 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](Cc4cncnc4)C3)CCC2=O)cn1 ZINC000091745328 524772500 /nfs/dbraw/zinc/77/25/00/524772500.db2.gz DGQFNUMBJANWJB-HXUWFJFHSA-N 1 1 366.469 1.980 50 0 FDAAMO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3c(c2)OCO3)C1 ZINC000091793211 524784196 /nfs/dbraw/zinc/78/41/96/524784196.db2.gz VANSNDSJFMBNGH-HZPDHXFCSA-N 1 1 366.421 1.942 50 0 FDAAMO O=C(c1cnccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3c(c2)OCO3)C1 ZINC000091793211 524784205 /nfs/dbraw/zinc/78/42/05/524784205.db2.gz VANSNDSJFMBNGH-HZPDHXFCSA-N 1 1 366.421 1.942 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3cccc(F)c3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091829682 524793724 /nfs/dbraw/zinc/79/37/24/524793724.db2.gz ULEYYZPPUAEIAC-LXTVHRRPSA-N 1 1 368.424 1.755 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091858602 524801610 /nfs/dbraw/zinc/80/16/10/524801610.db2.gz RSUFKUZHTHKDPZ-GOEBONIOSA-N 1 1 369.487 1.555 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@@H]1CO ZINC000091871384 524802079 /nfs/dbraw/zinc/80/20/79/524802079.db2.gz HBGRDUVOFXTQSZ-QZTJIDSGSA-N 1 1 361.486 1.219 50 0 FDAAMO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(=O)c3cccc(F)c3[nH]2)C[C@@H]1CO ZINC000091871305 524803713 /nfs/dbraw/zinc/80/37/13/524803713.db2.gz AGOZYXWNUZSZIF-CHWSQXEVSA-N 1 1 361.417 1.712 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(=O)c3cccc(F)c3[nH]2)C[C@@H]1CO ZINC000091871305 524803724 /nfs/dbraw/zinc/80/37/24/524803724.db2.gz AGOZYXWNUZSZIF-CHWSQXEVSA-N 1 1 361.417 1.712 50 0 FDAAMO Cc1ccc(OCCCN(C)C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c(C)c1 ZINC000091952191 524818685 /nfs/dbraw/zinc/81/86/85/524818685.db2.gz GCTZNZPOGQLUKR-QGZVFWFLSA-N 1 1 361.486 1.728 50 0 FDAAMO O=C(CC[N@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)Nc1cccnc1 ZINC000092028504 524829982 /nfs/dbraw/zinc/82/99/82/524829982.db2.gz QFAIZIXEZWXSQH-NVXWUHKLSA-N 1 1 352.442 1.801 50 0 FDAAMO Cc1cc2cc(C(=O)N3C[C@H](CO)[C@H](C[NH+]4CCOCC4)C3)ccc2o1 ZINC000092065318 524839279 /nfs/dbraw/zinc/83/92/79/524839279.db2.gz PWEURENALBDMON-QZTJIDSGSA-N 1 1 358.438 1.754 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1nc(N(C)C)nc3c1CCCC3)C2 ZINC000095357079 525032326 /nfs/dbraw/zinc/03/23/26/525032326.db2.gz MAXSSLFRXLNANV-HZPDHXFCSA-N 1 1 359.518 1.968 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000095360294 525035717 /nfs/dbraw/zinc/03/57/17/525035717.db2.gz JZZPMWJOXWZBOY-OAHLLOKOSA-N 1 1 353.488 1.257 50 0 FDAAMO C[N@H+]1CCN(Cc2ccc(-c3cc[nH]n3)s2)C[C@]12CCNC(=O)CC2 ZINC000095373275 525047876 /nfs/dbraw/zinc/04/78/76/525047876.db2.gz CONVJZATJPFFSZ-SFHVURJKSA-N 1 1 359.499 1.925 50 0 FDAAMO CN1CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@]12CCNC(=O)CC2 ZINC000095373275 525047885 /nfs/dbraw/zinc/04/78/85/525047885.db2.gz CONVJZATJPFFSZ-SFHVURJKSA-N 1 1 359.499 1.925 50 0 FDAAMO CN1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)s2)C[C@]12CCNC(=O)CC2 ZINC000095373275 525047898 /nfs/dbraw/zinc/04/78/98/525047898.db2.gz CONVJZATJPFFSZ-SFHVURJKSA-N 1 1 359.499 1.925 50 0 FDAAMO Cc1cc(C)n(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c(=O)n1 ZINC000095375018 525048709 /nfs/dbraw/zinc/04/87/09/525048709.db2.gz MVQMNVMCPJNEGM-QZTJIDSGSA-N 1 1 358.486 1.583 50 0 FDAAMO C[NH+](C)[C@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccc(F)cc1 ZINC000095375283 525050545 /nfs/dbraw/zinc/05/05/45/525050545.db2.gz JNTFAPXEBCHENJ-KRWDZBQOSA-N 1 1 354.389 1.721 50 0 FDAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCCS2(=O)=O)C1 ZINC000124689744 525052447 /nfs/dbraw/zinc/05/24/47/525052447.db2.gz CMPCVCRWUQQYJY-ZIAGYGMSSA-N 1 1 354.476 1.369 50 0 FDAAMO Cc1cc(=O)[nH]c(NCCNC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000095386681 525059345 /nfs/dbraw/zinc/05/93/45/525059345.db2.gz CABJWJGJFDXFND-KRWDZBQOSA-N 1 1 369.469 1.486 50 0 FDAAMO CC(C)(C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)N1CCOCC1 ZINC000095386919 525060720 /nfs/dbraw/zinc/06/07/20/525060720.db2.gz OESHOPLGRJQVOC-ZWKOTPCHSA-N 1 1 372.513 1.729 50 0 FDAAMO COC(=O)c1cc(NC(=O)N[C@H]2C[C@H]3CN(C)CC[N@H+]3C2)ccc1Cl ZINC000095499119 525083720 /nfs/dbraw/zinc/08/37/20/525083720.db2.gz VSMOHUKJMDCNOB-STQMWFEESA-N 1 1 366.849 1.636 50 0 FDAAMO COC(=O)c1cc(NC(=O)N[C@H]2C[C@H]3C[N@H+](C)CCN3C2)ccc1Cl ZINC000095499119 525083729 /nfs/dbraw/zinc/08/37/29/525083729.db2.gz VSMOHUKJMDCNOB-STQMWFEESA-N 1 1 366.849 1.636 50 0 FDAAMO COC(=O)c1cc(NC(=O)N[C@H]2C[C@H]3C[N@@H+](C)CCN3C2)ccc1Cl ZINC000095499119 525083739 /nfs/dbraw/zinc/08/37/39/525083739.db2.gz VSMOHUKJMDCNOB-STQMWFEESA-N 1 1 366.849 1.636 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@]12CCNC(=O)CC2 ZINC000095502292 525084926 /nfs/dbraw/zinc/08/49/26/525084926.db2.gz JAFUVMQFDJVRPE-HXUWFJFHSA-N 1 1 354.454 1.523 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095509557 525092856 /nfs/dbraw/zinc/09/28/56/525092856.db2.gz WWFLPLHHCOHQNO-GOSISDBHSA-N 1 1 357.454 1.929 50 0 FDAAMO COC(=O)CC[N@@H+]1CCN(Cc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000095986098 525114907 /nfs/dbraw/zinc/11/49/07/525114907.db2.gz MUADDCDLDJSEBW-GFCCVEGCSA-N 1 1 350.444 1.867 50 0 FDAAMO COC(=O)CC[N@H+]1CCN(Cc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000095986098 525114914 /nfs/dbraw/zinc/11/49/14/525114914.db2.gz MUADDCDLDJSEBW-GFCCVEGCSA-N 1 1 350.444 1.867 50 0 FDAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)NCc3ccccn3)c2)CC1 ZINC000096154019 525142615 /nfs/dbraw/zinc/14/26/15/525142615.db2.gz AEYSGEFBWNGCLM-UHFFFAOYSA-N 1 1 353.426 1.791 50 0 FDAAMO Cc1nnnn1-c1ccc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000096343521 525159703 /nfs/dbraw/zinc/15/97/03/525159703.db2.gz AXIKWPVEHAWWTN-SJLPKXTDSA-N 1 1 354.458 1.965 50 0 FDAAMO CCCC[NH+]1CCN(C(=O)c2nnn3c2c(=O)[nH]c2cc(F)ccc23)CC1 ZINC000096397675 525162068 /nfs/dbraw/zinc/16/20/68/525162068.db2.gz CPYJIQCNMORJRT-UHFFFAOYSA-N 1 1 372.404 1.680 50 0 FDAAMO Cc1ccc([C@@H]([NH2+][C@@H]2CCNC2=O)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000097019959 525167979 /nfs/dbraw/zinc/16/79/79/525167979.db2.gz BFIQOWGZHOQVOU-QZTJIDSGSA-N 1 1 358.463 1.966 50 0 FDAAMO COCCCC[NH+]1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1 ZINC000097212989 525179886 /nfs/dbraw/zinc/17/98/86/525179886.db2.gz JQUDBDYVQACPFT-UHFFFAOYSA-N 1 1 355.442 1.723 50 0 FDAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)c2)n1 ZINC000097515130 525186519 /nfs/dbraw/zinc/18/65/19/525186519.db2.gz RRMSGOJMFWQFHX-SFTDATJTSA-N 1 1 370.497 1.757 50 0 FDAAMO Cc1cc(C)n(-c2cccc(CN3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)c2)n1 ZINC000097515130 525186522 /nfs/dbraw/zinc/18/65/22/525186522.db2.gz RRMSGOJMFWQFHX-SFTDATJTSA-N 1 1 370.497 1.757 50 0 FDAAMO Cc1cc(C)n(-c2cccc(CN3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)c2)n1 ZINC000097515130 525186525 /nfs/dbraw/zinc/18/65/25/525186525.db2.gz RRMSGOJMFWQFHX-SFTDATJTSA-N 1 1 370.497 1.757 50 0 FDAAMO COc1ccc(-n2cccn2)c(CN2CC[NH+](CCn3cncn3)CC2)c1 ZINC000097679877 525190970 /nfs/dbraw/zinc/19/09/70/525190970.db2.gz XUPFPQNJUCYYRC-UHFFFAOYSA-N 1 1 367.457 1.290 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[NH+]2CCN(CCn3cncn3)CC2)c1 ZINC000097679877 525190975 /nfs/dbraw/zinc/19/09/75/525190975.db2.gz XUPFPQNJUCYYRC-UHFFFAOYSA-N 1 1 367.457 1.290 50 0 FDAAMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)NCCc4cn[nH]c4)[C@H]3C2)cc1C ZINC000102224151 525280229 /nfs/dbraw/zinc/28/02/29/525280229.db2.gz KISOBNCSYVCDCH-DZFIZOCASA-N 1 1 354.454 1.763 50 0 FDAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)n1 ZINC000106179892 525654304 /nfs/dbraw/zinc/65/43/04/525654304.db2.gz PPJUTKDPDFRMOO-MRXNPFEDSA-N 1 1 352.442 1.815 50 0 FDAAMO O=C(CCC(=O)N1CCc2ccccc2C1)NCCC[NH+]1CCOCC1 ZINC000019823152 526382526 /nfs/dbraw/zinc/38/25/26/526382526.db2.gz XSZVIDKXWOBRQQ-UHFFFAOYSA-N 1 1 359.470 1.190 50 0 FDAAMO O=C(CCN1CCCC1=O)N[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1C1CC1 ZINC000091665193 526482725 /nfs/dbraw/zinc/48/27/25/526482725.db2.gz PHLUPLGVZCAYLW-MSOLQXFVSA-N 1 1 356.470 1.421 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000091305220 526883983 /nfs/dbraw/zinc/88/39/83/526883983.db2.gz MTBFVWFREFLBLW-KRWDZBQOSA-N 1 1 359.470 1.392 50 0 FDAAMO O=C(COc1ccccc1O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091646091 526994517 /nfs/dbraw/zinc/99/45/17/526994517.db2.gz LZDZSEMBABCSDQ-DOTOQJQBSA-N 1 1 360.454 1.873 50 0 FDAAMO O=C1C[C@@]2(CC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)C2)C(=O)N1 ZINC000082134576 527026619 /nfs/dbraw/zinc/02/66/19/527026619.db2.gz JLZDNKVTKJVGMH-LJQANCHMSA-N 1 1 351.410 1.327 50 0 FDAAMO Cc1nc2ccc(CNC(=O)c3cn(CC[C@H]4CCCC[NH2+]4)nn3)cc2[nH]1 ZINC000082133650 527138093 /nfs/dbraw/zinc/13/80/93/527138093.db2.gz JPRYDJMGINBZPX-OAHLLOKOSA-N 1 1 367.457 1.925 50 0 FDAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000245237307 527321020 /nfs/dbraw/zinc/32/10/20/527321020.db2.gz IXOYMMSJIYBWBJ-KBPBESRZSA-N 1 1 351.472 1.785 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000082087568 527419610 /nfs/dbraw/zinc/41/96/10/527419610.db2.gz VNFUXCCIZREXPH-INIZCTEOSA-N 1 1 357.458 1.535 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3F)c2)C[C@H]1CN1CCOCC1 ZINC000091643402 527620401 /nfs/dbraw/zinc/62/04/01/527620401.db2.gz OSLHQDQLYPDUDB-QZTJIDSGSA-N 1 1 374.460 1.384 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000020356286 527669676 /nfs/dbraw/zinc/66/96/76/527669676.db2.gz ZXHCQLDBIXNSON-UHFFFAOYSA-N 1 1 354.450 1.761 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCC(=O)N1CCc1ccccc1 ZINC000020724510 527671341 /nfs/dbraw/zinc/67/13/41/527671341.db2.gz WYJKXPQUAMCLLK-SFHVURJKSA-N 1 1 359.470 1.059 50 0 FDAAMO CCc1nc2c(ncnc2N2CCC(c3[nH+]ccn3CC(N)=O)CC2)o1 ZINC000096180130 536154888 /nfs/dbraw/zinc/15/48/88/536154888.db2.gz FQEDHMNQJBNADT-UHFFFAOYSA-N 1 1 355.402 1.246 50 0 FDAAMO COc1ccnc(N2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)n1 ZINC000106987867 537117521 /nfs/dbraw/zinc/11/75/21/537117521.db2.gz QVZHNUSVBLXIOC-QGZVFWFLSA-N 1 1 372.469 1.875 50 0 FDAAMO COc1ccnc(N2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)n1 ZINC000106987867 537117526 /nfs/dbraw/zinc/11/75/26/537117526.db2.gz QVZHNUSVBLXIOC-QGZVFWFLSA-N 1 1 372.469 1.875 50 0 FDAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000222778705 537513955 /nfs/dbraw/zinc/51/39/55/537513955.db2.gz OUWGYPKIGFYJSU-KRWDZBQOSA-N 1 1 370.453 1.028 50 0 FDAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000222778705 537513965 /nfs/dbraw/zinc/51/39/65/537513965.db2.gz OUWGYPKIGFYJSU-KRWDZBQOSA-N 1 1 370.453 1.028 50 0 FDAAMO CC[N@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000223075912 537516314 /nfs/dbraw/zinc/51/63/14/537516314.db2.gz UUQZJWVEPOFPTM-UHFFFAOYSA-N 1 1 353.488 1.082 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C)O1 ZINC000229721551 537575757 /nfs/dbraw/zinc/57/57/57/537575757.db2.gz KJAYBKFTXZYRGL-DVOMOZLQSA-N 1 1 359.467 1.372 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)[C@H](c1cccnc1)N1CCCC1)CC2 ZINC000230141727 537579161 /nfs/dbraw/zinc/57/91/61/537579161.db2.gz MRLLBPLYIMDTMO-IBGZPJMESA-N 1 1 371.529 1.457 50 0 FDAAMO C[C@]1(O)CCN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000241338508 537646595 /nfs/dbraw/zinc/64/65/95/537646595.db2.gz MBJNWMVMZGMQFZ-FQEVSTJZSA-N 1 1 372.469 1.962 50 0 FDAAMO O=S(=O)(N1CCCCC1)N1CCC[N@H+](C[C@H](O)c2ccccc2)CC1 ZINC000244626754 537647876 /nfs/dbraw/zinc/64/78/76/537647876.db2.gz FSEJOEJXTPUSDO-SFHVURJKSA-N 1 1 367.515 1.458 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)O2)CC1 ZINC000244734618 537651394 /nfs/dbraw/zinc/65/13/94/537651394.db2.gz NIZAMOONRZEKQD-KRWDZBQOSA-N 1 1 373.453 1.379 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC2(CNC(=O)O2)CC1 ZINC000244734618 537651400 /nfs/dbraw/zinc/65/14/00/537651400.db2.gz NIZAMOONRZEKQD-KRWDZBQOSA-N 1 1 373.453 1.379 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)cc1F ZINC000244811563 537653081 /nfs/dbraw/zinc/65/30/81/537653081.db2.gz SGYCMBPVQIDSPT-IAGOWNOFSA-N 1 1 359.401 1.595 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)cc1F ZINC000244811563 537653085 /nfs/dbraw/zinc/65/30/85/537653085.db2.gz SGYCMBPVQIDSPT-IAGOWNOFSA-N 1 1 359.401 1.595 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2cccc(-c3cnc4ncnn4c3)c2)C1 ZINC000584889170 551565471 /nfs/dbraw/zinc/56/54/71/551565471.db2.gz IUHZNWLDABSOLB-AWEZNQCLSA-N 1 1 366.425 1.099 50 0 FDAAMO COCCCN(C)C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426519274 570613900 /nfs/dbraw/zinc/61/39/00/570613900.db2.gz PIKHCFPTHZSIMM-BIXGBWIQSA-N 1 1 372.513 1.232 50 0 FDAAMO COc1ccc([C@H]2CCCN2C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000045402270 570908087 /nfs/dbraw/zinc/90/80/87/570908087.db2.gz NDIYVRWRCXRHAA-QGZVFWFLSA-N 1 1 360.458 1.491 50 0 FDAAMO Cc1ccnc(SCC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)n1 ZINC000244795393 571117364 /nfs/dbraw/zinc/11/73/64/571117364.db2.gz RFNKIIWTJXPOLB-OAHLLOKOSA-N 1 1 350.488 1.182 50 0 FDAAMO C[C@H](C(=O)N1CCC(c2nc(N)n[nH]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000426477689 571137208 /nfs/dbraw/zinc/13/72/08/571137208.db2.gz GVCHCPORLINDAJ-CYBMUJFWSA-N 1 1 354.458 1.540 50 0 FDAAMO Nc1nc(N2CCC(CCN3CCCC3=O)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426388399 571138637 /nfs/dbraw/zinc/13/86/37/571138637.db2.gz LBTNCZUFIOGEQQ-OAHLLOKOSA-N 1 1 359.474 1.792 50 0 FDAAMO COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1NS(C)(=O)=O ZINC000267174142 571168162 /nfs/dbraw/zinc/16/81/62/571168162.db2.gz PDSQWSAHUBXYHU-CYBMUJFWSA-N 1 1 368.459 1.379 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[N@H+]3CC[C@H]4OCc5cnnn5[C@H]4C3)cc2c1 ZINC000299757733 571192504 /nfs/dbraw/zinc/19/25/04/571192504.db2.gz ATQSGCMQMZFGBL-ZWKOTPCHSA-N 1 1 367.409 1.886 50 0 FDAAMO CS(=O)(=O)N1CCCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299765501 571194632 /nfs/dbraw/zinc/19/46/32/571194632.db2.gz HPLIMLAYUFKLMK-GOSISDBHSA-N 1 1 351.516 1.618 50 0 FDAAMO O[C@@]12CCOC[C@@H]1C[N@@H+](Cc1ccc3nsnc3c1)[C@H]1CCOC[C@H]12 ZINC000299772946 571196286 /nfs/dbraw/zinc/19/62/86/571196286.db2.gz CBFPMOCETDHOBB-DACLVMHWSA-N 1 1 361.467 1.680 50 0 FDAAMO COc1cc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc(OC)c1OC ZINC000299780906 571197849 /nfs/dbraw/zinc/19/78/49/571197849.db2.gz AHPJNDPRGLSLPN-GJZGRUSLSA-N 1 1 360.414 1.650 50 0 FDAAMO COc1cc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc(OC)c1OC ZINC000299780906 571197852 /nfs/dbraw/zinc/19/78/52/571197852.db2.gz AHPJNDPRGLSLPN-GJZGRUSLSA-N 1 1 360.414 1.650 50 0 FDAAMO COc1cccc(SCC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000299797056 571202537 /nfs/dbraw/zinc/20/25/37/571202537.db2.gz PHEUFZFMLMTERD-ZDUSSCGKSA-N 1 1 351.472 1.101 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CC[N@H+](C)[C@H]2CCN(C)C2)n1 ZINC000426380271 571217103 /nfs/dbraw/zinc/21/71/03/571217103.db2.gz ATEFPRCHSXJTJL-LBPRGKRZSA-N 1 1 359.396 1.446 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CCN(C)[C@H]2CC[N@H+](C)C2)n1 ZINC000426380271 571217104 /nfs/dbraw/zinc/21/71/04/571217104.db2.gz ATEFPRCHSXJTJL-LBPRGKRZSA-N 1 1 359.396 1.446 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CNC(=O)CCN(C)[C@H]2CC[N@@H+](C)C2)n1 ZINC000426380271 571217105 /nfs/dbraw/zinc/21/71/05/571217105.db2.gz ATEFPRCHSXJTJL-LBPRGKRZSA-N 1 1 359.396 1.446 50 0 FDAAMO O=C(NCc1cc2n(n1)CCC[NH2+]C2)NCc1n[nH]c2c1CCCCC2 ZINC000426397672 571219599 /nfs/dbraw/zinc/21/95/99/571219599.db2.gz YPLHXNILELNETJ-UHFFFAOYSA-N 1 1 357.462 1.368 50 0 FDAAMO CCOCCN(C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426531533 571230540 /nfs/dbraw/zinc/23/05/40/571230540.db2.gz DPPGJGFPJXDTPJ-MOMVYJMYSA-N 1 1 372.513 1.232 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cncc(F)c1 ZINC000426548421 571231433 /nfs/dbraw/zinc/23/14/33/571231433.db2.gz DQQCPKWMVACXAJ-BSLVTKGXSA-N 1 1 366.440 1.518 50 0 FDAAMO Cc1nnc(C2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](CO)C3)CC2)[nH]1 ZINC000426575075 571232008 /nfs/dbraw/zinc/23/20/08/571232008.db2.gz UXUZDWMIWDBWLA-OAHLLOKOSA-N 1 1 364.494 1.097 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000426594831 571232661 /nfs/dbraw/zinc/23/26/61/571232661.db2.gz LEOYROAKNXAWFK-GOSISDBHSA-N 1 1 354.454 1.723 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000426594831 571232662 /nfs/dbraw/zinc/23/26/62/571232662.db2.gz LEOYROAKNXAWFK-GOSISDBHSA-N 1 1 354.454 1.723 50 0 FDAAMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCCn4cnnn4)C3)C2=O)c1 ZINC000426685477 571235267 /nfs/dbraw/zinc/23/52/67/571235267.db2.gz XWPWMNRFUATBLG-FQEVSTJZSA-N 1 1 368.485 1.886 50 0 FDAAMO CCc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000670438928 571348131 /nfs/dbraw/zinc/34/81/31/571348131.db2.gz NCCZIHYPMGLXDI-UHFFFAOYSA-N 1 1 350.444 1.174 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000670463625 571357907 /nfs/dbraw/zinc/35/79/07/571357907.db2.gz WXZQBKONBWUREL-AWEZNQCLSA-N 1 1 370.471 1.095 50 0 FDAAMO COC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)CC1 ZINC000012057157 670610150 /nfs/dbraw/zinc/61/01/50/670610150.db2.gz BIAVEWMMABQUMA-QGZVFWFLSA-N 1 1 351.491 1.395 50 0 FDAAMO Cc1nc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)sc1C ZINC000012594482 670614505 /nfs/dbraw/zinc/61/45/05/670614505.db2.gz WOFVBBNURIWUDO-OAHLLOKOSA-N 1 1 364.515 1.552 50 0 FDAAMO CC(C)C[N@@H+]1C[C@@H](CN2CCN(C)CC2)C[C@@H](C(=O)N2CCCC2)C1 ZINC000023354064 670703889 /nfs/dbraw/zinc/70/38/89/670703889.db2.gz QOIMAPNETPDTEA-RTBURBONSA-N 1 1 350.551 1.450 50 0 FDAAMO CC(C)C[N@H+]1C[C@@H](CN2CCN(C)CC2)C[C@@H](C(=O)N2CCCC2)C1 ZINC000023354064 670703901 /nfs/dbraw/zinc/70/39/01/670703901.db2.gz QOIMAPNETPDTEA-RTBURBONSA-N 1 1 350.551 1.450 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccccc3Cl)C[C@H]2O)CC1 ZINC000023373371 670704692 /nfs/dbraw/zinc/70/46/92/670704692.db2.gz NGSIGCUSQYFMMC-IAGOWNOFSA-N 1 1 351.878 1.092 50 0 FDAAMO Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCN4CCN(C)C(=O)[C@@H]4C3)[nH]c12 ZINC000092099963 776621203 /nfs/dbraw/zinc/62/12/03/776621203.db2.gz SRVISMFFNZVXDZ-INIZCTEOSA-N 1 1 354.454 1.103 50 0 FDAAMO Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCN4CCN(C)C(=O)[C@@H]4C3)[nH]c12 ZINC000092099963 776621212 /nfs/dbraw/zinc/62/12/12/776621212.db2.gz SRVISMFFNZVXDZ-INIZCTEOSA-N 1 1 354.454 1.103 50 0 FDAAMO C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000023352485 785729972 /nfs/dbraw/zinc/72/99/72/785729972.db2.gz OQCKVBDOVCOFFD-WOJBJXKFSA-N 1 1 370.541 1.651 50 0 FDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)C[N@H+](Cc3ccccc3)C2)CC1 ZINC000023352485 785729973 /nfs/dbraw/zinc/72/99/73/785729973.db2.gz OQCKVBDOVCOFFD-WOJBJXKFSA-N 1 1 370.541 1.651 50 0 FDAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)C[N@@H+](Cc3ccccc3)C2)CC1 ZINC000023352485 785729974 /nfs/dbraw/zinc/72/99/74/785729974.db2.gz OQCKVBDOVCOFFD-WOJBJXKFSA-N 1 1 370.541 1.651 50 0 FDAAMO CC(C)C[N@H+](C1CN(S(=O)(=O)c2cccnc2)C1)C1CCN(C)CC1 ZINC000581799767 787009341 /nfs/dbraw/zinc/00/93/41/787009341.db2.gz XFPVFDWANMSTTM-UHFFFAOYSA-N 1 1 366.531 1.507 50 0 FDAAMO CC(C)C[N@@H+](C1CN(S(=O)(=O)c2cccnc2)C1)C1CCN(C)CC1 ZINC000581799767 787009350 /nfs/dbraw/zinc/00/93/50/787009350.db2.gz XFPVFDWANMSTTM-UHFFFAOYSA-N 1 1 366.531 1.507 50 0 FDAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)o1 ZINC000019743254 792325946 /nfs/dbraw/zinc/32/59/46/792325946.db2.gz GGHRBXVVZBMERG-AWEZNQCLSA-N 1 1 373.457 1.145 50 0 FDAAMO O=C(NC1CCCCC1)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)C2CC2)CC1 ZINC000257179049 793898878 /nfs/dbraw/zinc/89/88/78/793898878.db2.gz CIASGHSXPBJAJE-MSOLQXFVSA-N 1 1 363.502 1.272 50 0 FDAAMO C[N@@H+]1CC2(C[C@H]1C(=O)Nc1ccccc1)CCN(S(C)(=O)=O)CC2 ZINC000675011445 795221281 /nfs/dbraw/zinc/22/12/81/795221281.db2.gz UBKNBSZSHMRPMM-HNNXBMFYSA-N 1 1 351.472 1.371 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)Nc1ccccc1)CCN(S(C)(=O)=O)CC2 ZINC000675011445 795221284 /nfs/dbraw/zinc/22/12/84/795221284.db2.gz UBKNBSZSHMRPMM-HNNXBMFYSA-N 1 1 351.472 1.371 50 0 FDAAMO Cc1ccc2c(c1)C[N@@H+](CCNC(=O)CCc1ccc(=O)[nH]n1)C[C@@H](C)O2 ZINC000299770026 800167352 /nfs/dbraw/zinc/16/73/52/800167352.db2.gz OIDGGONRIKJWTQ-OAHLLOKOSA-N 1 1 370.453 1.410 50 0 FDAAMO Cc1ccc2c(c1)C[N@H+](CCNC(=O)CCc1ccc(=O)[nH]n1)C[C@@H](C)O2 ZINC000299770026 800167355 /nfs/dbraw/zinc/16/73/55/800167355.db2.gz OIDGGONRIKJWTQ-OAHLLOKOSA-N 1 1 370.453 1.410 50 0 FDAAMO C[C@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000334111009 801125938 /nfs/dbraw/zinc/12/59/38/801125938.db2.gz BTRCTPZTEVUFQE-DOTOQJQBSA-N 1 1 353.470 1.653 50 0 FDAAMO C[C@H]1CN(C(=O)[C@@H]2CCc3nnn(C)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000334111009 801125940 /nfs/dbraw/zinc/12/59/40/801125940.db2.gz BTRCTPZTEVUFQE-DOTOQJQBSA-N 1 1 353.470 1.653 50 0 FDAAMO COc1ccccc1N1CC[C@@H]([N@@H+]2CCCN(c3cccnn3)CC2)C1=O ZINC000151040319 861230131 /nfs/dbraw/zinc/23/01/31/861230131.db2.gz PNTGIRUSBJXNEF-QGZVFWFLSA-N 1 1 367.453 1.803 50 0 FDAAMO COc1ccccc1N1CC[C@@H]([N@H+]2CCCN(c3cccnn3)CC2)C1=O ZINC000151040319 861230142 /nfs/dbraw/zinc/23/01/42/861230142.db2.gz PNTGIRUSBJXNEF-QGZVFWFLSA-N 1 1 367.453 1.803 50 0 FDAAMO COc1ccccc1-c1n[nH]cc1C[N@@H+](C)[C@H]1CCc2n[nH]c(=O)n2CC1 ZINC000257174474 864380724 /nfs/dbraw/zinc/38/07/24/864380724.db2.gz HKYWFOMRAMQLRZ-AWEZNQCLSA-N 1 1 368.441 1.807 50 0 FDAAMO CN1C(=O)c2cccn2C[C@H]1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000169774705 864508710 /nfs/dbraw/zinc/50/87/10/864508710.db2.gz BAWAFQOUIYEQQQ-IBGZPJMESA-N 1 1 366.465 1.507 50 0 FDAAMO CCc1nc(CN2CCN(c3ncccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000823560483 921948533 /nfs/dbraw/zinc/94/85/33/921948533.db2.gz OZUOSOGREGRRKZ-UHFFFAOYSA-N 1 1 350.430 1.337 50 0 FDAAMO Cn1nc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)ccc1=O ZINC000828052452 924816485 /nfs/dbraw/zinc/81/64/85/924816485.db2.gz YLSYJHJXDPHXPQ-UHFFFAOYSA-N 1 1 369.425 1.457 50 0 FDAAMO COCc1nnc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2ccnn2C)CC3)o1 ZINC000581802484 927586410 /nfs/dbraw/zinc/58/64/10/927586410.db2.gz ISPMUEKOGJODOS-CQSZACIVSA-N 1 1 374.445 1.249 50 0 FDAAMO COCc1nnc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2ccnn2C)CC3)o1 ZINC000581802484 927586419 /nfs/dbraw/zinc/58/64/19/927586419.db2.gz ISPMUEKOGJODOS-CQSZACIVSA-N 1 1 374.445 1.249 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccco1)CC2 ZINC000581802797 927588734 /nfs/dbraw/zinc/58/87/34/927588734.db2.gz OVDPIPCWOSQSIC-OAHLLOKOSA-N 1 1 361.442 1.065 50 0 FDAAMO O=C(CCCc1ccccc1)N1CCC2(C[C@@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000581811519 927597536 /nfs/dbraw/zinc/59/75/36/927597536.db2.gz KSMOYRZSFLPGEL-GOSISDBHSA-N 1 1 355.482 1.822 50 0 FDAAMO CN1CCN(C(=O)[C@@H]2C[C@H](Oc3ccccc3)C[N@H+]2C2CCOCC2)CC1 ZINC000581809969 927606954 /nfs/dbraw/zinc/60/69/54/927606954.db2.gz CAFOKGZLISEELC-PMACEKPBSA-N 1 1 373.497 1.461 50 0 FDAAMO Cc1cccc2nc(C[N@@H+]3CCC[C@H](c4nc(N(C)C)no4)C3)cc(=O)n12 ZINC000585080284 943760543 /nfs/dbraw/zinc/76/05/43/943760543.db2.gz YKWFGACYQPWQLQ-AWEZNQCLSA-N 1 1 368.441 1.832 50 0 FDAAMO CCNC(=O)c1cc(NC(=O)[C@H]2CC[N@@H+](CCOC)C2)ccc1Cl ZINC000952869339 960211470 /nfs/dbraw/zinc/21/14/70/960211470.db2.gz PMWPAWYFTHXUKK-LBPRGKRZSA-N 1 1 353.850 1.997 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000952963473 960246136 /nfs/dbraw/zinc/24/61/36/960246136.db2.gz KKJWZNLJECNIPJ-GXTWGEPZSA-N 1 1 373.375 1.052 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000952965495 960249878 /nfs/dbraw/zinc/24/98/78/960249878.db2.gz PQRDWFLIAUNXII-AWEZNQCLSA-N 1 1 372.487 1.293 50 0 FDAAMO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1ccccc1Cl ZINC000952974042 960268051 /nfs/dbraw/zinc/26/80/51/960268051.db2.gz CGLFVECBETUDJD-CJNGLKHVSA-N 1 1 366.893 1.256 50 0 FDAAMO Cc1cc(C)cc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000952975414 960271261 /nfs/dbraw/zinc/27/12/61/960271261.db2.gz DSPMLGFFQSTRLS-SFHVURJKSA-N 1 1 365.543 1.952 50 0 FDAAMO COc1ccc(-c2nnc(C)o2)cc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000952966925 960281887 /nfs/dbraw/zinc/28/18/87/960281887.db2.gz HKEIICGMOYZDKV-GFCCVEGCSA-N 1 1 359.430 1.628 50 0 FDAAMO Cc1cc(C)nc(N2CCC(CNC(=O)CN3CCC[N@H+](C)CC3)CC2)n1 ZINC000952981361 960294526 /nfs/dbraw/zinc/29/45/26/960294526.db2.gz DJWYRHAXXKNLFW-UHFFFAOYSA-N 1 1 374.533 1.064 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC000952986370 960309147 /nfs/dbraw/zinc/30/91/47/960309147.db2.gz HEYQELLRIBQPAV-LBPRGKRZSA-N 1 1 369.443 1.122 50 0 FDAAMO CC1=NN(c2ccc(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000114379602 999463793 /nfs/dbraw/zinc/46/37/93/999463793.db2.gz RDAXYADQIPKZDL-INIZCTEOSA-N 1 1 357.502 1.886 50 0 FDAAMO COc1cccc2c1OCC(CN1CC[N@@H+](C)[C@]3(C1)CCNC(=O)CC3)=C2 ZINC000091548746 1008133842 /nfs/dbraw/zinc/13/38/42/1008133842.db2.gz FAHLWNAQAHYMFX-NRFANRHFSA-N 1 1 371.481 1.757 50 0 FDAAMO CCc1nnc(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CC2)[nH]1 ZINC000191488760 178057734 /nfs/dbraw/zinc/05/77/34/178057734.db2.gz YWLAILJXMFEHPZ-INIZCTEOSA-N 1 1 361.490 1.717 50 0 FDAAMO CC[NH+]1CCN(C(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000005523599 204213772 /nfs/dbraw/zinc/21/37/72/204213772.db2.gz JCWHVSGGLQXZRA-UHFFFAOYSA-N 1 1 367.471 1.365 50 0 FDAAMO COc1ccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035349310 204241281 /nfs/dbraw/zinc/24/12/81/204241281.db2.gz XKSBXBDCHLVCHF-ACJLOTCBSA-N 1 1 353.422 1.853 50 0 FDAAMO CC(C)OC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104005 205005549 /nfs/dbraw/zinc/00/55/49/205005549.db2.gz PIVQZHOIQLRPSG-GOSISDBHSA-N 1 1 372.456 1.885 50 0 FDAAMO CC(C)OC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104005 205005552 /nfs/dbraw/zinc/00/55/52/205005552.db2.gz PIVQZHOIQLRPSG-GOSISDBHSA-N 1 1 372.456 1.885 50 0 FDAAMO CCOC(=O)c1sc2[nH]c(C[N@H+](C)CC(C)(C)O)nc(=O)c2c1C ZINC000036206698 205007704 /nfs/dbraw/zinc/00/77/04/205007704.db2.gz SADJFDPPAKLCID-UHFFFAOYSA-N 1 1 353.444 1.672 50 0 FDAAMO CCOC(=O)c1sc2[nH]c(C[N@@H+](C)CC(C)(C)O)nc(=O)c2c1C ZINC000036206698 205007708 /nfs/dbraw/zinc/00/77/08/205007708.db2.gz SADJFDPPAKLCID-UHFFFAOYSA-N 1 1 353.444 1.672 50 0 FDAAMO COc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000070666351 205025047 /nfs/dbraw/zinc/02/50/47/205025047.db2.gz XFWORLURTVWJAV-BBWFWOEESA-N 1 1 370.449 1.716 50 0 biogenic FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(Sc2ncccn2)ccn1 ZINC000072243497 205030627 /nfs/dbraw/zinc/03/06/27/205030627.db2.gz JCYZOXCRVHNWTK-UHFFFAOYSA-N 1 1 359.455 1.475 50 0 FDAAMO CC[NH+]1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3C)NC(=O)N2)CC1 ZINC000039315100 205043842 /nfs/dbraw/zinc/04/38/42/205043842.db2.gz KLZCTCFTBYRTDV-GOSISDBHSA-N 1 1 372.469 1.414 50 0 FDAAMO COC[C@H](C)NC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000040071658 205052347 /nfs/dbraw/zinc/05/23/47/205052347.db2.gz LNTQFITYSDHLDQ-INIZCTEOSA-N 1 1 373.497 1.434 50 0 FDAAMO Cc1nnnn1-c1cccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000079188390 205057268 /nfs/dbraw/zinc/05/72/68/205057268.db2.gz VEXHUWZHZDAMNO-FUHWJXTLSA-N 1 1 354.458 1.965 50 0 biogenic FDAAMO Cn1nc(CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079190598 205058834 /nfs/dbraw/zinc/05/88/34/205058834.db2.gz AMSVRKNGGBAKKR-HNAYVOBHSA-N 1 1 368.481 1.857 50 0 biogenic FDAAMO C[NH+]1CCN(CCc2ccc(NC(=O)c3ccc(N)c(N)c3)cc2)CC1 ZINC000040449968 205070587 /nfs/dbraw/zinc/07/05/87/205070587.db2.gz DVHORXGGTCIZHB-UHFFFAOYSA-N 1 1 353.470 1.893 50 0 FDAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)CC3 ZINC000055252892 205213875 /nfs/dbraw/zinc/21/38/75/205213875.db2.gz JFMJNPSNKBHHOL-AWEZNQCLSA-N 1 1 354.454 1.558 50 0 FDAAMO CCC(=O)Nc1cccc(OCC(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000055340757 205214377 /nfs/dbraw/zinc/21/43/77/205214377.db2.gz MOSFPKJWYKKGHN-MRXNPFEDSA-N 1 1 363.458 1.377 50 0 FDAAMO O=C(Cc1c[nH]c2ccccc12)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000056808858 205232845 /nfs/dbraw/zinc/23/28/45/205232845.db2.gz QAXFOBVHEZLDKG-UHFFFAOYSA-N 1 1 368.481 1.913 50 0 FDAAMO C[NH+](C)CC(=O)Nc1cccc(CNC(=O)c2[nH]nc3ccccc32)c1 ZINC000058159731 205252545 /nfs/dbraw/zinc/25/25/45/205252545.db2.gz XGADBNABCHTZHI-UHFFFAOYSA-N 1 1 351.410 1.993 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccccc2)C1 ZINC000058175364 205253811 /nfs/dbraw/zinc/25/38/11/205253811.db2.gz ZDMZSFZJVHLDLB-MRXNPFEDSA-N 1 1 367.515 1.544 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000061758284 205288302 /nfs/dbraw/zinc/28/83/02/205288302.db2.gz BYWZOQYHFBRXRB-KRWDZBQOSA-N 1 1 351.878 1.441 50 0 FDAAMO Cc1[nH+]ccn1CC1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 ZINC000062130386 205290359 /nfs/dbraw/zinc/29/03/59/205290359.db2.gz QNVKMYBIDBLDGJ-UHFFFAOYSA-N 1 1 365.437 1.840 50 0 FDAAMO CC(C)O[C@H]1CN(C(=O)c2cc3n(n2)CCC[N@@H+](C(C)C)C3)C[C@@H]1O ZINC000065507862 205356979 /nfs/dbraw/zinc/35/69/79/205356979.db2.gz PKQZLZMEDSCMEG-IRXDYDNUSA-N 1 1 350.463 1.108 50 0 FDAAMO CC(C)O[C@H]1CN(C(=O)c2cc3n(n2)CCC[N@H+](C(C)C)C3)C[C@@H]1O ZINC000065507862 205356985 /nfs/dbraw/zinc/35/69/85/205356985.db2.gz PKQZLZMEDSCMEG-IRXDYDNUSA-N 1 1 350.463 1.108 50 0 FDAAMO O=C(CCNC(=O)c1ccc(F)cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000065564187 205360109 /nfs/dbraw/zinc/36/01/09/205360109.db2.gz PDSIMKHDTQVYAZ-UHFFFAOYSA-N 1 1 353.825 1.906 50 0 FDAAMO Cc1nc(C[NH2+]CCC(=O)Nc2ccc(C(N)=O)cc2)nc2c1CCCC2 ZINC000065371201 205339267 /nfs/dbraw/zinc/33/92/67/205339267.db2.gz QFNYSJCKZYKTIW-UHFFFAOYSA-N 1 1 367.453 1.881 50 0 FDAAMO Cc1nc2c(c(N(C)C[C@H]3CC(=O)N(C(C)(C)C)C3)n1)CC[N@@H+](C)CC2 ZINC000065383326 205343928 /nfs/dbraw/zinc/34/39/28/205343928.db2.gz JBJNGUDEKVRUHC-OAHLLOKOSA-N 1 1 359.518 1.899 50 0 FDAAMO Cc1nc2ncccn2c1C(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067561095 205375263 /nfs/dbraw/zinc/37/52/63/205375263.db2.gz HYWVEWANMSEZNO-UHFFFAOYSA-N 1 1 356.474 1.280 50 0 FDAAMO Cc1nc2ncccn2c1C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067561095 205375265 /nfs/dbraw/zinc/37/52/65/205375265.db2.gz HYWVEWANMSEZNO-UHFFFAOYSA-N 1 1 356.474 1.280 50 0 FDAAMO Cc1nc(-n2cccn2)cc(NCCNS(=O)(=O)c2ccccc2)[nH+]1 ZINC000067601929 205377136 /nfs/dbraw/zinc/37/71/36/205377136.db2.gz ITVXQCQUKUTOOR-UHFFFAOYSA-N 1 1 358.427 1.361 50 0 FDAAMO C[N@H+](CCN1CCCC1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067691065 205384551 /nfs/dbraw/zinc/38/45/51/205384551.db2.gz KHQALHMFRLTXOL-FQEVSTJZSA-N 1 1 363.477 1.707 50 0 FDAAMO C[N@@H+](CCN1CCCC1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067691065 205384556 /nfs/dbraw/zinc/38/45/56/205384556.db2.gz KHQALHMFRLTXOL-FQEVSTJZSA-N 1 1 363.477 1.707 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1=O ZINC000067756697 205389549 /nfs/dbraw/zinc/38/95/49/205389549.db2.gz ARHJNBIVYJOFSP-QGZVFWFLSA-N 1 1 373.501 1.354 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(CN3CCC(O)CC3)on2)C1 ZINC000067773928 205390720 /nfs/dbraw/zinc/39/07/20/205390720.db2.gz AOSPSIBYZRVTSQ-OAHLLOKOSA-N 1 1 364.490 1.482 50 0 FDAAMO COc1cc2c(cc1C[NH+]1CCC(NS(C)(=O)=O)CC1)OCCCO2 ZINC000067868917 205398766 /nfs/dbraw/zinc/39/87/66/205398766.db2.gz HNUGQBLZITUYAJ-UHFFFAOYSA-N 1 1 370.471 1.370 50 0 FDAAMO O=C(c1coc(COc2ccc3c(c2)OCO3)n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000067879383 205398954 /nfs/dbraw/zinc/39/89/54/205398954.db2.gz BBOLJJNHYUZUJH-CYBMUJFWSA-N 1 1 371.393 1.903 50 0 FDAAMO O=C(NCc1ccncc1)[C@@H]1CN(c2nc3ccccc3s2)CC[NH2+]1 ZINC000072126500 205470742 /nfs/dbraw/zinc/47/07/42/205470742.db2.gz OYTPHMLSPLCCAR-HNNXBMFYSA-N 1 1 353.451 1.786 50 0 FDAAMO CC(C)N(C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000048273826 206082952 /nfs/dbraw/zinc/08/29/52/206082952.db2.gz FVRRPTPLNZVXQS-UONOGXRCSA-N 1 1 370.494 1.927 50 0 FDAAMO Cc1ccccc1CN1[NH+]=C(C)[C@H](C)n2c3c(nc21)n(C)c(=O)n(C)c3=O ZINC000005148001 206190276 /nfs/dbraw/zinc/19/02/76/206190276.db2.gz DNPHWRVNAFCNQT-ZDUSSCGKSA-N 1 1 366.425 1.699 50 0 FDAAMO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000007812072 206211682 /nfs/dbraw/zinc/21/16/82/206211682.db2.gz KUSXSMTUOJYJMG-CYBMUJFWSA-N 1 1 353.463 1.809 50 0 FDAAMO CN1CCC([N@@H+]2CCN(Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104550776 206237858 /nfs/dbraw/zinc/23/78/58/206237858.db2.gz PFTILFLCEBTHLS-MRXNPFEDSA-N 1 1 353.457 1.928 50 0 FDAAMO CN1CCC([N@H+]2CCN(Cc3c(F)cccc3F)C[C@H]2CCO)CC1 ZINC000104550776 206237862 /nfs/dbraw/zinc/23/78/62/206237862.db2.gz PFTILFLCEBTHLS-MRXNPFEDSA-N 1 1 353.457 1.928 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2cc3c(=O)[nH]c(-c4ccccc4)cn3n2)CC1 ZINC000169768552 206260964 /nfs/dbraw/zinc/26/09/64/206260964.db2.gz PNKDBPSWTJZOAA-UHFFFAOYSA-N 1 1 365.437 1.856 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c(=O)n(-c2ccccc2)n1C ZINC000215670596 206350659 /nfs/dbraw/zinc/35/06/59/206350659.db2.gz GXHRXGSRPJCDPI-HNNXBMFYSA-N 1 1 352.442 1.982 50 0 FDAAMO C[N@H+]1CCC[C@H]1CCNS(=O)(=O)c1cccc(C(=O)N2CCC2)c1 ZINC000216017251 206353492 /nfs/dbraw/zinc/35/34/92/206353492.db2.gz IPDKVDFBRRQMLR-HNNXBMFYSA-N 1 1 351.472 1.295 50 0 FDAAMO CC(=O)N1CCN(Cc2ccc(OCCC[NH+]3CCOCC3)cc2)CC1 ZINC000216019521 206354129 /nfs/dbraw/zinc/35/41/29/206354129.db2.gz IQZHGCFSELQRRE-UHFFFAOYSA-N 1 1 361.486 1.452 50 0 FDAAMO COc1ccccc1-n1cc(CNC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000219049496 206377384 /nfs/dbraw/zinc/37/73/84/206377384.db2.gz SGJPKOXIFMTYLA-IYBDPMFKSA-N 1 1 372.469 1.996 50 0 FDAAMO CNC(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000022577713 206378837 /nfs/dbraw/zinc/37/88/37/206378837.db2.gz RZCRBAHAQJAXBF-UHFFFAOYSA-N 1 1 371.437 1.082 50 0 FDAAMO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)CCc1n[nH]c2c1CCCC2 ZINC000219965653 206395448 /nfs/dbraw/zinc/39/54/48/206395448.db2.gz WVDVVZQOSLLPDI-MSOLQXFVSA-N 1 1 364.490 1.073 50 0 FDAAMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1c(CC(N)=O)nc2ccccc21 ZINC000060368137 221130101 /nfs/dbraw/zinc/13/01/01/221130101.db2.gz PNSXHQUNGSGKLO-MRXNPFEDSA-N 1 1 352.438 1.557 50 0 FDAAMO O[C@H]1COCC[N@@H+](CCCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000077376308 132182574 /nfs/dbraw/zinc/18/25/74/132182574.db2.gz LOUFUXFCEDKGHT-GOSISDBHSA-N 1 1 353.894 1.545 50 0 FDAAMO O[C@H]1COCCN(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000077376308 132182575 /nfs/dbraw/zinc/18/25/75/132182575.db2.gz LOUFUXFCEDKGHT-GOSISDBHSA-N 1 1 353.894 1.545 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000077378487 132182863 /nfs/dbraw/zinc/18/28/63/132182863.db2.gz VNNLLSFUQWKCMI-UHFFFAOYSA-N 1 1 366.468 1.061 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccccc2N2CCC(=O)NC2=O)C1 ZINC000095356274 132207151 /nfs/dbraw/zinc/20/71/51/132207151.db2.gz WCUYFTFAQRHFDP-CQSZACIVSA-N 1 1 370.453 1.832 50 0 FDAAMO COCCN1CC[C@@H](C[NH2+]C2CCN(c3ccnc(SC)n3)CC2)C1 ZINC000095379202 132209429 /nfs/dbraw/zinc/20/94/29/132209429.db2.gz ITYUBJQHZZWTDU-HNNXBMFYSA-N 1 1 365.547 1.725 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095387738 132209998 /nfs/dbraw/zinc/20/99/98/132209998.db2.gz ZFHJADABXSEXFZ-AWEZNQCLSA-N 1 1 357.462 1.266 50 0 FDAAMO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095387738 132210000 /nfs/dbraw/zinc/21/00/00/132210000.db2.gz ZFHJADABXSEXFZ-AWEZNQCLSA-N 1 1 357.462 1.266 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095387738 132210002 /nfs/dbraw/zinc/21/00/02/132210002.db2.gz ZFHJADABXSEXFZ-AWEZNQCLSA-N 1 1 357.462 1.266 50 0 FDAAMO CCN(Cc1ccncc1)C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000097137382 132227612 /nfs/dbraw/zinc/22/76/12/132227612.db2.gz CAKJRQYYQNQEJI-UHFFFAOYSA-N 1 1 354.458 1.594 50 0 FDAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCC[N@@H+](C)C3)cc21 ZINC000097212558 132228074 /nfs/dbraw/zinc/22/80/74/132228074.db2.gz UZZOHXCCBLIPNG-OAHLLOKOSA-N 1 1 351.472 1.358 50 0 FDAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@@H]3CCC[N@H+](C)C3)cc21 ZINC000097212558 132228075 /nfs/dbraw/zinc/22/80/75/132228075.db2.gz UZZOHXCCBLIPNG-OAHLLOKOSA-N 1 1 351.472 1.358 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)nc1 ZINC000106999264 132240527 /nfs/dbraw/zinc/24/05/27/132240527.db2.gz VLZFBXYOWGVWRL-IBGZPJMESA-N 1 1 368.481 1.905 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(c2cc(N)ncn2)C[C@H]1CCO ZINC000106966431 132265897 /nfs/dbraw/zinc/26/58/97/132265897.db2.gz RWUVCXRZIGOCSQ-MRXNPFEDSA-N 1 1 357.458 1.531 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(c2cc(N)ncn2)C[C@H]1CCO ZINC000106966431 132265899 /nfs/dbraw/zinc/26/58/99/132265899.db2.gz RWUVCXRZIGOCSQ-MRXNPFEDSA-N 1 1 357.458 1.531 50 0 FDAAMO Cc1ncnc(N2CC[NH+](CCn3c4ccccc4oc3=O)CC2)c1C ZINC000216019439 132270859 /nfs/dbraw/zinc/27/08/59/132270859.db2.gz LWMUYZBSRZZCCW-UHFFFAOYSA-N 1 1 353.426 1.824 50 0 FDAAMO Cc1nnc(SCCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000220753861 132276379 /nfs/dbraw/zinc/27/63/79/132276379.db2.gz JUWKYGBAQMAZQM-UHFFFAOYSA-N 1 1 360.487 1.387 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000055107496 136126003 /nfs/dbraw/zinc/12/60/03/136126003.db2.gz AFKSTIJEIVNFLK-OAHLLOKOSA-N 1 1 371.441 1.336 50 0 FDAAMO Cc1cccnc1C[NH+]1CCN(c2nc3nonc3nc2NC2CC2)CC1 ZINC000055359657 136126527 /nfs/dbraw/zinc/12/65/27/136126527.db2.gz WSECSFPTFALIAB-UHFFFAOYSA-N 1 1 366.429 1.613 50 0 FDAAMO Cc1nccc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071422292 136139168 /nfs/dbraw/zinc/13/91/68/136139168.db2.gz VRYYWBDFPGEGMU-QGZVFWFLSA-N 1 1 373.501 1.325 50 0 FDAAMO Cc1nccnc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745243 136139872 /nfs/dbraw/zinc/13/98/72/136139872.db2.gz WHMSVUKXIITAAM-KRWDZBQOSA-N 1 1 373.501 1.325 50 0 FDAAMO CNC(=O)C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072135539 136142308 /nfs/dbraw/zinc/14/23/08/136142308.db2.gz ZJTSRKBDRYYLIH-KRWDZBQOSA-N 1 1 350.894 1.672 50 0 FDAAMO CNC(=O)C[N@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072135539 136142309 /nfs/dbraw/zinc/14/23/09/136142309.db2.gz ZJTSRKBDRYYLIH-KRWDZBQOSA-N 1 1 350.894 1.672 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000072428597 136146536 /nfs/dbraw/zinc/14/65/36/136146536.db2.gz FOCIRKUTXGVSJM-QGZVFWFLSA-N 1 1 353.470 1.742 50 0 FDAAMO C[NH+]1CCN(c2cc(NC(=O)COc3ccccc3Cl)ncn2)CC1 ZINC000075166221 136150135 /nfs/dbraw/zinc/15/01/35/136150135.db2.gz SUFDZLDDQQCMPU-UHFFFAOYSA-N 1 1 361.833 1.899 50 0 FDAAMO Cc1ncoc1C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000330013356 259121950 /nfs/dbraw/zinc/12/19/50/259121950.db2.gz MAUZQJMPSIPPFL-KRWDZBQOSA-N 1 1 368.437 1.719 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000005634480 518350950 /nfs/dbraw/zinc/35/09/50/518350950.db2.gz VGTWZZZCXHUEAS-RHSMWYFYSA-N 1 1 373.428 1.792 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000005634480 518350954 /nfs/dbraw/zinc/35/09/54/518350954.db2.gz VGTWZZZCXHUEAS-RHSMWYFYSA-N 1 1 373.428 1.792 50 0 FDAAMO CC[C@H]1C[N@H+](CCNC(=O)c2cc[n+]([O-])cc2)Cc2cc(OC)ccc2O1 ZINC000011841615 518576281 /nfs/dbraw/zinc/57/62/81/518576281.db2.gz ZORAYZSIWDGGQD-KRWDZBQOSA-N 1 1 371.437 1.732 50 0 FDAAMO CC[C@H]1C[N@@H+](CCNC(=O)c2cc[n+]([O-])cc2)Cc2cc(OC)ccc2O1 ZINC000011841615 518576285 /nfs/dbraw/zinc/57/62/85/518576285.db2.gz ZORAYZSIWDGGQD-KRWDZBQOSA-N 1 1 371.437 1.732 50 0 FDAAMO COc1ccccc1C[N@@H+]1CCc2nnc(CCNC(=O)C(C)C)n2CC1 ZINC000012206846 518595920 /nfs/dbraw/zinc/59/59/20/518595920.db2.gz FFGHYCVBSYFIKM-UHFFFAOYSA-N 1 1 371.485 1.660 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](C(=O)OC)[C@@H](O)c2ccncc2)C1 ZINC000012537004 518619576 /nfs/dbraw/zinc/61/95/76/518619576.db2.gz LWELLZIVNOSXIC-PMPSAXMXSA-N 1 1 350.415 1.179 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000012866333 518638900 /nfs/dbraw/zinc/63/89/00/518638900.db2.gz WQCPLKBVDBOQBH-UHFFFAOYSA-N 1 1 351.472 1.249 50 0 FDAAMO O=C(Cn1ncc(=O)c2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012891179 518641113 /nfs/dbraw/zinc/64/11/13/518641113.db2.gz XVHZNTXRYFQZAL-KRWDZBQOSA-N 1 1 366.421 1.943 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)nc2n1 ZINC000013020965 518648956 /nfs/dbraw/zinc/64/89/56/518648956.db2.gz RUHKZUQKIQVQSZ-AWEZNQCLSA-N 1 1 354.414 1.901 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714722 518667129 /nfs/dbraw/zinc/66/71/29/518667129.db2.gz YKGPRHLQOUZBQP-OAHLLOKOSA-N 1 1 373.906 1.659 50 0 FDAAMO CC[N@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000014136082 518678115 /nfs/dbraw/zinc/67/81/15/518678115.db2.gz SBEGAIUKPQGVDT-SFHVURJKSA-N 1 1 353.422 1.788 50 0 FDAAMO CC[N@@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000014136082 518678118 /nfs/dbraw/zinc/67/81/18/518678118.db2.gz SBEGAIUKPQGVDT-SFHVURJKSA-N 1 1 353.422 1.788 50 0 FDAAMO CC(C)CC[N@H+]1CCN2C(=O)[C@H]([C@@H](C)OCc3ccccc3)NC(=O)[C@H]2C1 ZINC000014535845 518692574 /nfs/dbraw/zinc/69/25/74/518692574.db2.gz HNXQPPKBYYBIQK-QRQLOZEOSA-N 1 1 373.497 1.649 50 0 FDAAMO CCCN1CC[NH+](C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000019226010 518804860 /nfs/dbraw/zinc/80/48/60/518804860.db2.gz VESYQXKRQNTMFZ-FQEVSTJZSA-N 1 1 351.535 1.948 50 0 FDAAMO CCN(CC(=O)N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000020046218 518843352 /nfs/dbraw/zinc/84/33/52/518843352.db2.gz OZJAFRKWWJNGFI-UHFFFAOYSA-N 1 1 357.451 1.000 50 0 FDAAMO CCC[N@@H+]1CCc2c(sc3c2c(N2CCOCC2)nc2nnnn23)C1 ZINC000020519101 518850643 /nfs/dbraw/zinc/85/06/43/518850643.db2.gz VCUAIVRPPPKPFF-UHFFFAOYSA-N 1 1 359.459 1.339 50 0 FDAAMO CCC[N@H+]1CCc2c(sc3c2c(N2CCOCC2)nc2nnnn23)C1 ZINC000020519101 518850648 /nfs/dbraw/zinc/85/06/48/518850648.db2.gz VCUAIVRPPPKPFF-UHFFFAOYSA-N 1 1 359.459 1.339 50 0 FDAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000020898440 518859887 /nfs/dbraw/zinc/85/98/87/518859887.db2.gz WNVZFSOFCSSHPE-UHFFFAOYSA-N 1 1 365.499 1.002 50 0 FDAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H](CC)N1c2cc(C)nn2CCC1=O ZINC000020943610 518860640 /nfs/dbraw/zinc/86/06/40/518860640.db2.gz LHAKYLOWSONSJD-MRXNPFEDSA-N 1 1 363.506 1.945 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)C2=Cc3cc(OC)ccc3OC2)CC1 ZINC000021095435 518865633 /nfs/dbraw/zinc/86/56/33/518865633.db2.gz RWCUMIFJLQIVHQ-UHFFFAOYSA-N 1 1 359.470 1.615 50 0 FDAAMO C[NH+]1CCN(C(=O)CCc2nnc3ccc(NCc4ccco4)nn32)CC1 ZINC000021261063 518869079 /nfs/dbraw/zinc/86/90/79/518869079.db2.gz IMIOVMRSCICINC-UHFFFAOYSA-N 1 1 369.429 1.036 50 0 FDAAMO CCn1ncc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c1C ZINC000023339736 518946771 /nfs/dbraw/zinc/94/67/71/518946771.db2.gz WJOOLFURTRWSEJ-GOSISDBHSA-N 1 1 361.534 1.978 50 0 FDAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000023640305 518959575 /nfs/dbraw/zinc/95/95/75/518959575.db2.gz JZRGHWFEQCUHQC-IAGOWNOFSA-N 1 1 351.443 1.840 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000025232931 519046285 /nfs/dbraw/zinc/04/62/85/519046285.db2.gz NSEIPGQXGUZXCK-UHFFFAOYSA-N 1 1 357.376 1.575 50 0 FDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000025302620 519052251 /nfs/dbraw/zinc/05/22/51/519052251.db2.gz ICQYWSZYCNTWAG-GOSISDBHSA-N 1 1 357.454 1.648 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@H]23)CC1 ZINC000026771764 519138343 /nfs/dbraw/zinc/13/83/43/519138343.db2.gz RZJXEISZQFKAGA-OSSFJEMISA-N 1 1 362.514 1.909 50 0 biogenic FDAAMO O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCCC[NH+]1CCOCC1 ZINC000027936933 519204817 /nfs/dbraw/zinc/20/48/17/519204817.db2.gz FOWNPLYKPISPFM-UHFFFAOYSA-N 1 1 360.380 1.618 50 0 FDAAMO OC[C@@H](CNc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1)Cc1ccco1 ZINC000029965954 519339971 /nfs/dbraw/zinc/33/99/71/519339971.db2.gz SBWSIZWSXQKYEY-OAHLLOKOSA-N 1 1 372.473 1.928 50 0 FDAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031339191 519431815 /nfs/dbraw/zinc/43/18/15/519431815.db2.gz HXMSEGLDPBOWJC-UHFFFAOYSA-N 1 1 373.478 1.431 50 0 FDAAMO Cc1ccc(S(N)(=O)=O)cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000031339191 519431817 /nfs/dbraw/zinc/43/18/17/519431817.db2.gz HXMSEGLDPBOWJC-UHFFFAOYSA-N 1 1 373.478 1.431 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNS(=O)(=O)c3cccnc3)cc2C1 ZINC000082107583 519723409 /nfs/dbraw/zinc/72/34/09/519723409.db2.gz NLONIODWHSFKCC-UHFFFAOYSA-N 1 1 363.487 1.618 50 0 FDAAMO CCCCN1C(=O)NC(=O)C(=C(C)NCCC[NH+]2CCCCC2)C1=O ZINC000020265737 520560974 /nfs/dbraw/zinc/56/09/74/520560974.db2.gz LMBJOHHPLMIKKW-CCEZHUSRSA-N 1 1 350.463 1.605 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@@H](O)COC[C@H](C)c2ccccc2)CC1 ZINC000020512894 520953485 /nfs/dbraw/zinc/95/34/85/520953485.db2.gz MDUPUTCXHHCVHO-FUHWJXTLSA-N 1 1 350.459 1.942 50 0 FDAAMO CCOc1ccc2nc(NC(=O)CN3CC[NH+](CCO)CC3)sc2c1 ZINC000020706974 521302851 /nfs/dbraw/zinc/30/28/51/521302851.db2.gz DKLLFDRPEJOQRI-UHFFFAOYSA-N 1 1 364.471 1.243 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2(C)COC2)C[N@@H+]1Cc1sccc1C ZINC000091289371 521744736 /nfs/dbraw/zinc/74/47/36/521744736.db2.gz WTMBBBWRTAZSDS-KGLIPLIRSA-N 1 1 365.499 1.288 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)C2(C)COC2)C[N@H+]1Cc1sccc1C ZINC000091289371 521744737 /nfs/dbraw/zinc/74/47/37/521744737.db2.gz WTMBBBWRTAZSDS-KGLIPLIRSA-N 1 1 365.499 1.288 50 0 FDAAMO C[C@@H](OCC(F)(F)F)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000043033898 521809900 /nfs/dbraw/zinc/80/99/00/521809900.db2.gz MYVUCOILLXNBEA-CQSZACIVSA-N 1 1 359.392 1.892 50 0 FDAAMO CC[C@H](C)[C@@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020136661 521894289 /nfs/dbraw/zinc/89/42/89/521894289.db2.gz KUJSUZHKNNCGDX-KSSFIOAISA-N 1 1 374.485 1.917 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)no1 ZINC000071415727 522114311 /nfs/dbraw/zinc/11/43/11/522114311.db2.gz LTHFMSUMIAWGKE-MRXNPFEDSA-N 1 1 374.485 1.922 50 0 FDAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)[nH]n1 ZINC000071589504 522118339 /nfs/dbraw/zinc/11/83/39/522118339.db2.gz JVTGZTXCYUSDQS-INIZCTEOSA-N 1 1 373.501 1.447 50 0 FDAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)n[nH]1 ZINC000071589504 522118349 /nfs/dbraw/zinc/11/83/49/522118349.db2.gz JVTGZTXCYUSDQS-INIZCTEOSA-N 1 1 373.501 1.447 50 0 FDAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)n[nH]1 ZINC000071589504 522118359 /nfs/dbraw/zinc/11/83/59/522118359.db2.gz JVTGZTXCYUSDQS-INIZCTEOSA-N 1 1 373.501 1.447 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000071745847 522119908 /nfs/dbraw/zinc/11/99/08/522119908.db2.gz WKFAFOQDJKUWGS-KRWDZBQOSA-N 1 1 374.485 1.161 50 0 FDAAMO O=C(NCCO)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071735928 522120176 /nfs/dbraw/zinc/12/01/76/522120176.db2.gz QIKVZARHTXAXPU-LJQANCHMSA-N 1 1 371.525 1.439 50 0 FDAAMO O=C(NCCO)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071735928 522120183 /nfs/dbraw/zinc/12/01/83/522120183.db2.gz QIKVZARHTXAXPU-LJQANCHMSA-N 1 1 371.525 1.439 50 0 FDAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)no1 ZINC000071681630 522121162 /nfs/dbraw/zinc/12/11/62/522121162.db2.gz WBVUIFTYZDFUPK-INIZCTEOSA-N 1 1 361.490 1.677 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC000071750229 522122873 /nfs/dbraw/zinc/12/28/73/522122873.db2.gz KVEYKCNEQRBPLK-CQSZACIVSA-N 1 1 372.469 1.382 50 0 FDAAMO COC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071751783 522125208 /nfs/dbraw/zinc/12/52/08/522125208.db2.gz HNJWPNWTIYPLRZ-MRXNPFEDSA-N 1 1 374.485 1.047 50 0 FDAAMO O=C(c1cnccn1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768115 522132339 /nfs/dbraw/zinc/13/23/39/522132339.db2.gz OYIXSRXXAWDPPC-INIZCTEOSA-N 1 1 371.485 1.416 50 0 FDAAMO Cc1ncc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(F)cc2)c(C)n1 ZINC000072128857 522158492 /nfs/dbraw/zinc/15/84/92/522158492.db2.gz AAUPGRPOPJUYHF-INIZCTEOSA-N 1 1 357.389 1.285 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000072133394 522162377 /nfs/dbraw/zinc/16/23/77/522162377.db2.gz VZMJNUIWIOJAFO-SFHVURJKSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000072133394 522162385 /nfs/dbraw/zinc/16/23/85/522162385.db2.gz VZMJNUIWIOJAFO-SFHVURJKSA-N 1 1 358.486 1.809 50 0 FDAAMO O=C(NC[C@]1(O)CCC[N@@H+](Cc2ccc3nonc3c2)CC1)c1ccco1 ZINC000072157887 522185172 /nfs/dbraw/zinc/18/51/72/522185172.db2.gz HSHGCBWEVILJHT-IBGZPJMESA-N 1 1 370.409 1.963 50 0 FDAAMO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000072161462 522189566 /nfs/dbraw/zinc/18/95/66/522189566.db2.gz OQMYXXLFLUSQLT-MRXNPFEDSA-N 1 1 360.483 1.330 50 0 FDAAMO NC(=O)COc1cccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC000072170012 522196491 /nfs/dbraw/zinc/19/64/91/522196491.db2.gz PMJRMLRSDNMROD-UHFFFAOYSA-N 1 1 354.454 1.654 50 0 FDAAMO NC(=O)COc1cccc(CN2CCC[N@H+](Cc3ccncc3)CC2)c1 ZINC000072170012 522196503 /nfs/dbraw/zinc/19/65/03/522196503.db2.gz PMJRMLRSDNMROD-UHFFFAOYSA-N 1 1 354.454 1.654 50 0 FDAAMO NC(=O)COc1cccc(CN2CCC[N@@H+](Cc3ccncc3)CC2)c1 ZINC000072170012 522196509 /nfs/dbraw/zinc/19/65/09/522196509.db2.gz PMJRMLRSDNMROD-UHFFFAOYSA-N 1 1 354.454 1.654 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)C1 ZINC000072167910 522197303 /nfs/dbraw/zinc/19/73/03/522197303.db2.gz AEKKSXTVWWIMGK-AWEZNQCLSA-N 1 1 353.426 1.058 50 0 FDAAMO COCCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072169505 522198026 /nfs/dbraw/zinc/19/80/26/522198026.db2.gz WKYFZXPWWRVHPX-LJQANCHMSA-N 1 1 369.465 1.683 50 0 FDAAMO COCCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072169505 522198034 /nfs/dbraw/zinc/19/80/34/522198034.db2.gz WKYFZXPWWRVHPX-LJQANCHMSA-N 1 1 369.465 1.683 50 0 FDAAMO CNS(=O)(=O)c1ccc(CN2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000072410774 522241417 /nfs/dbraw/zinc/24/14/17/522241417.db2.gz LIXKEKINUXVPDZ-QGZVFWFLSA-N 1 1 367.515 1.016 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000072428944 522264542 /nfs/dbraw/zinc/26/45/42/522264542.db2.gz OSJPJIXEUUGTOR-AWEZNQCLSA-N 1 1 367.457 1.542 50 0 FDAAMO CC(C)(O)CCc1ccc(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000072431112 522266060 /nfs/dbraw/zinc/26/60/60/522266060.db2.gz IHZQWHZLOPQOPE-UHFFFAOYSA-N 1 1 354.516 1.857 50 0 FDAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCCN(S(C)(=O)=O)CC2)cc1 ZINC000072431112 522266069 /nfs/dbraw/zinc/26/60/69/522266069.db2.gz IHZQWHZLOPQOPE-UHFFFAOYSA-N 1 1 354.516 1.857 50 0 FDAAMO O=C(c1ccco1)N1CCn2nc(CN3CC[N@H+]4CCCC[C@@H]4C3)cc2C1 ZINC000072435147 522273968 /nfs/dbraw/zinc/27/39/68/522273968.db2.gz NCEJKOVKEBRCSL-QGZVFWFLSA-N 1 1 369.469 1.802 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cnn1C ZINC000072453490 522283152 /nfs/dbraw/zinc/28/31/52/522283152.db2.gz PGBIKXMZTAGYOT-MRXNPFEDSA-N 1 1 357.506 1.832 50 0 FDAAMO O=C([C@H]1[NH2+]CCc2nc[nH]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000072473802 522294822 /nfs/dbraw/zinc/29/48/22/522294822.db2.gz XZIAGZVOPIERII-SFHVURJKSA-N 1 1 366.400 1.523 50 0 FDAAMO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262120 522482947 /nfs/dbraw/zinc/48/29/47/522482947.db2.gz MNERJUKJYSIZCM-NSHDSACASA-N 1 1 367.837 1.231 50 0 FDAAMO CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262120 522482954 /nfs/dbraw/zinc/48/29/54/522482954.db2.gz MNERJUKJYSIZCM-NSHDSACASA-N 1 1 367.837 1.231 50 0 FDAAMO CCn1ncc(C[NH+]2CCN(c3cnn4c(c3)nnc4C3CC3)CC2)c1C ZINC000065282639 522801928 /nfs/dbraw/zinc/80/19/28/522801928.db2.gz XZILAPVEFYFWDU-UHFFFAOYSA-N 1 1 366.473 1.849 50 0 FDAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1cccc2ccccc21 ZINC000078599503 523014715 /nfs/dbraw/zinc/01/47/15/523014715.db2.gz FRGYNBHXZKKREQ-QGZVFWFLSA-N 1 1 356.470 1.912 50 0 FDAAMO COc1ccccc1CCNC(=O)C[N@@H+]1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077322743 523295792 /nfs/dbraw/zinc/29/57/92/523295792.db2.gz JXRCNKOVEQPPML-ZWKOTPCHSA-N 1 1 361.486 1.446 50 0 FDAAMO CC(=O)N[C@@H]1C[N@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C[C@H]1C(C)C ZINC000077356725 523306551 /nfs/dbraw/zinc/30/65/51/523306551.db2.gz RGVIDVMJYBCUML-FUHWJXTLSA-N 1 1 370.453 1.220 50 0 FDAAMO CCOc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)cc1 ZINC000077426749 523334742 /nfs/dbraw/zinc/33/47/42/523334742.db2.gz NEWUPVYMNYLRPW-SJLPKXTDSA-N 1 1 356.426 1.241 50 0 FDAAMO COc1cccc(C(=O)N2CCC(C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)c1 ZINC000077428487 523334787 /nfs/dbraw/zinc/33/47/87/523334787.db2.gz BVRCHLDDFWPKFV-PKOBYXMFSA-N 1 1 371.481 1.710 50 0 FDAAMO Cn1ccc2cc(C[N@H+]3CC[C@@H](NC(=O)c4ccccn4)[C@H](O)C3)ccc21 ZINC000077454571 523344724 /nfs/dbraw/zinc/34/47/24/523344724.db2.gz XIZPYYIVGOYHJU-YLJYHZDGSA-N 1 1 364.449 1.939 50 0 FDAAMO COCCN1C[C@@]2(CCC[N@H+](Cc3cc(=O)c(OC)co3)C2)CCC1=O ZINC000077471730 523352495 /nfs/dbraw/zinc/35/24/95/523352495.db2.gz GHJDIRKHKHNYQP-IBGZPJMESA-N 1 1 364.442 1.499 50 0 FDAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3cc(=O)c(OC)co3)C2)CCC1=O ZINC000077471730 523352503 /nfs/dbraw/zinc/35/25/03/523352503.db2.gz GHJDIRKHKHNYQP-IBGZPJMESA-N 1 1 364.442 1.499 50 0 FDAAMO CCn1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000091689962 523494671 /nfs/dbraw/zinc/49/46/71/523494671.db2.gz WGEMFIDICBVNQF-FQEVSTJZSA-N 1 1 359.518 1.812 50 0 FDAAMO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000020686135 523606514 /nfs/dbraw/zinc/60/65/14/523606514.db2.gz GOZQNVGYOAPGMC-INIZCTEOSA-N 1 1 361.442 1.029 50 0 FDAAMO CCc1cc(=O)oc2cc(OCC(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000020547913 523745027 /nfs/dbraw/zinc/74/50/27/523745027.db2.gz SZZOSTPAHOICIZ-UHFFFAOYSA-N 1 1 374.437 1.573 50 0 FDAAMO COc1ccc(CN2CCOCC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000020860837 524035618 /nfs/dbraw/zinc/03/56/18/524035618.db2.gz FMKYTYMKFACZOB-QGZVFWFLSA-N 1 1 352.475 1.607 50 0 FDAAMO Cc1ccc(CCN2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000020724519 524323596 /nfs/dbraw/zinc/32/35/96/524323596.db2.gz WRJWDHQXNZVTME-IBGZPJMESA-N 1 1 373.497 1.225 50 0 FDAAMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2O)CC1 ZINC000111867791 524367342 /nfs/dbraw/zinc/36/73/42/524367342.db2.gz IAIGTCJCOGMBMR-INIZCTEOSA-N 1 1 362.474 1.335 50 0 FDAAMO COc1ccccc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000082128015 524543169 /nfs/dbraw/zinc/54/31/69/524543169.db2.gz ODSLJYHQMDXYQY-UHFFFAOYSA-N 1 1 361.486 1.845 50 0 FDAAMO Cc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(C)o1 ZINC000091461504 524711435 /nfs/dbraw/zinc/71/14/35/524711435.db2.gz ZDDSBIJRWJNHFI-MSOLQXFVSA-N 1 1 363.502 1.605 50 0 FDAAMO Cc1cc(C(=O)N2C[C@@H](CN3CCC[N@@H+](C)CC3)C[C@H](CO)C2)c(C)o1 ZINC000091461504 524711441 /nfs/dbraw/zinc/71/14/41/524711441.db2.gz ZDDSBIJRWJNHFI-MSOLQXFVSA-N 1 1 363.502 1.605 50 0 FDAAMO Cc1cc(C(=O)N2C[C@@H](CN3CCC[N@H+](C)CC3)C[C@H](CO)C2)c(C)o1 ZINC000091461504 524711454 /nfs/dbraw/zinc/71/14/54/524711454.db2.gz ZDDSBIJRWJNHFI-MSOLQXFVSA-N 1 1 363.502 1.605 50 0 FDAAMO CN1CC[N@@H+](C2CCN(Cc3ccco3)CC2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091602593 524738041 /nfs/dbraw/zinc/73/80/41/524738041.db2.gz YWZFGBHVBZXFEM-NRFANRHFSA-N 1 1 374.529 1.873 50 0 FDAAMO CN1CC[N@H+](C2CCN(Cc3ccco3)CC2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091602593 524738053 /nfs/dbraw/zinc/73/80/53/524738053.db2.gz YWZFGBHVBZXFEM-NRFANRHFSA-N 1 1 374.529 1.873 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(=O)cn1)C2 ZINC000091617097 524740188 /nfs/dbraw/zinc/74/01/88/524740188.db2.gz BCJHTBRZYQWVLF-UONOGXRCSA-N 1 1 357.414 1.111 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CCCOc1ccccc1)C2 ZINC000091624587 524743463 /nfs/dbraw/zinc/74/34/63/524743463.db2.gz QECWZXPGRJIMQZ-DLBZAZTESA-N 1 1 359.470 1.467 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(=O)n(C)c3ccccc13)C2 ZINC000091645461 524752747 /nfs/dbraw/zinc/75/27/47/524752747.db2.gz QXNWNLMMIXDWNP-HZPDHXFCSA-N 1 1 369.465 1.721 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]2CO)CC1 ZINC000091678120 524759502 /nfs/dbraw/zinc/75/95/02/524759502.db2.gz MTLIOEXRNBMEDU-WOJBJXKFSA-N 1 1 368.525 1.913 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@@H+](Cc3ccnc4ccccc34)C[C@@H]2CO)CC1 ZINC000091678120 524759513 /nfs/dbraw/zinc/75/95/13/524759513.db2.gz MTLIOEXRNBMEDU-WOJBJXKFSA-N 1 1 368.525 1.913 50 0 FDAAMO Cc1nn(C)cc1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091724395 524766115 /nfs/dbraw/zinc/76/61/15/524766115.db2.gz QNBMGHYEHPSEBF-INIZCTEOSA-N 1 1 373.501 1.277 50 0 FDAAMO COc1cc2c(cc1C(=O)N[C@H]1C[N@H+](CC(N)=O)C[C@@H]1C1CC1)CCC2 ZINC000091726015 524769566 /nfs/dbraw/zinc/76/95/66/524769566.db2.gz BXBFVVIUJNNMRU-SJORKVTESA-N 1 1 357.454 1.109 50 0 FDAAMO COc1cc2c(cc1C(=O)N[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1C1CC1)CCC2 ZINC000091726015 524769574 /nfs/dbraw/zinc/76/95/74/524769574.db2.gz BXBFVVIUJNNMRU-SJORKVTESA-N 1 1 357.454 1.109 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)Cc3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091746910 524775345 /nfs/dbraw/zinc/77/53/45/524775345.db2.gz CIKAVRADKLXRFX-CYGHRXIMSA-N 1 1 364.461 1.544 50 0 FDAAMO COCCCN1CCC[C@@]2(CC[N@@H+](Cc3[nH]cc(C)c(=O)c3C)C2)C1=O ZINC000091792852 524783466 /nfs/dbraw/zinc/78/34/66/524783466.db2.gz WYMNREBITSYBDD-FQEVSTJZSA-N 1 1 361.486 1.843 50 0 FDAAMO CC[C@H]1CN(C(=O)c2ccc(Cn3nnnc3C)cc2)CC[N@H+]1C(C)C ZINC000091829230 524793848 /nfs/dbraw/zinc/79/38/48/524793848.db2.gz OHEHJTZESHFCFN-SFHVURJKSA-N 1 1 356.474 1.975 50 0 FDAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000091846546 524798472 /nfs/dbraw/zinc/79/84/72/524798472.db2.gz RPLSPSNKTPZNHL-WOJBJXKFSA-N 1 1 359.514 1.242 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](NC(=O)COC)[C@@H](C(C)C)C1 ZINC000091849188 524801092 /nfs/dbraw/zinc/80/10/92/524801092.db2.gz QVGNJIAVWXYZSR-DOMZBBRYSA-N 1 1 356.898 1.855 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H](NC(=O)COC)[C@@H](C(C)C)C1 ZINC000091849188 524801106 /nfs/dbraw/zinc/80/11/06/524801106.db2.gz QVGNJIAVWXYZSR-DOMZBBRYSA-N 1 1 356.898 1.855 50 0 FDAAMO OC[C@H]1CN(Cc2c(F)ccc(Cl)c2F)C[C@H]1C[NH+]1CCOCC1 ZINC000091934188 524812886 /nfs/dbraw/zinc/81/28/86/524812886.db2.gz GFRNHQFZDWHTGB-CHWSQXEVSA-N 1 1 360.832 1.991 50 0 FDAAMO CC(C)n1c2ccccc2nc1C[N@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000091931613 524814784 /nfs/dbraw/zinc/81/47/84/524814784.db2.gz DAWQVQRCBSHZTD-QZTJIDSGSA-N 1 1 372.513 1.990 50 0 FDAAMO CC(C)n1c2ccccc2nc1CN1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091931613 524814792 /nfs/dbraw/zinc/81/47/92/524814792.db2.gz DAWQVQRCBSHZTD-QZTJIDSGSA-N 1 1 372.513 1.990 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C)C[C@@H]1CO ZINC000091951940 524818493 /nfs/dbraw/zinc/81/84/93/524818493.db2.gz PTOCGLJFOHZRGJ-HUUCEWRRSA-N 1 1 354.878 1.643 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnccn1)CC2 ZINC000091974150 524823555 /nfs/dbraw/zinc/82/35/55/524823555.db2.gz YBOBYZUIGSQGGZ-UHFFFAOYSA-N 1 1 354.458 1.989 50 0 FDAAMO CCCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)c(C)n1 ZINC000091987650 524826198 /nfs/dbraw/zinc/82/61/98/524826198.db2.gz JTDIVTSPEZXZAB-JKSUJKDBSA-N 1 1 361.490 1.226 50 0 FDAAMO CCCn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)c(C)n1 ZINC000091987650 524826212 /nfs/dbraw/zinc/82/62/12/524826212.db2.gz JTDIVTSPEZXZAB-JKSUJKDBSA-N 1 1 361.490 1.226 50 0 FDAAMO O=S1(=O)CC[C@H]([NH+]2CCC(c3ncnn3-c3ccc(F)cc3)CC2)C1 ZINC000092065547 524837421 /nfs/dbraw/zinc/83/74/21/524837421.db2.gz GABKURRWRBLDDB-INIZCTEOSA-N 1 1 364.446 1.773 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CC[C@@H](C)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC000082139103 524958466 /nfs/dbraw/zinc/95/84/66/524958466.db2.gz HPANFUZSPPILGR-GOSISDBHSA-N 1 1 372.513 1.586 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2CN(c3ncc(Cl)cc3F)C[C@@H]2CO)CC1 ZINC000095361583 525037521 /nfs/dbraw/zinc/03/75/21/525037521.db2.gz TXSUEBKPZAQVQZ-ZIAGYGMSSA-N 1 1 356.873 1.556 50 0 FDAAMO CCOCCC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095368046 525041448 /nfs/dbraw/zinc/04/14/48/525041448.db2.gz OODHGOQAABOVIC-LJQANCHMSA-N 1 1 351.491 1.348 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095371884 525047002 /nfs/dbraw/zinc/04/70/02/525047002.db2.gz MGKFWWJZMNDRKS-SFHVURJKSA-N 1 1 359.449 1.506 50 0 FDAAMO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095376184 525048645 /nfs/dbraw/zinc/04/86/45/525048645.db2.gz MJYXQYRVVRGYTC-GOSISDBHSA-N 1 1 363.421 1.771 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2nccs2)CC1 ZINC000095379359 525053026 /nfs/dbraw/zinc/05/30/26/525053026.db2.gz SEFQYKQGXGRXAG-HNNXBMFYSA-N 1 1 364.515 1.683 50 0 FDAAMO C[N@H+]1CCN(Cc2cccc(Cn3cccn3)c2)C[C@]12CCNC(=O)CC2 ZINC000095391237 525064808 /nfs/dbraw/zinc/06/48/08/525064808.db2.gz KIQBIXBLOSXHTD-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@]12CCNC(=O)CC2 ZINC000095391237 525064816 /nfs/dbraw/zinc/06/48/16/525064816.db2.gz KIQBIXBLOSXHTD-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@@H+](Cc2cccc(Cn3cccn3)c2)C[C@]12CCNC(=O)CC2 ZINC000095391237 525064826 /nfs/dbraw/zinc/06/48/26/525064826.db2.gz KIQBIXBLOSXHTD-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc(N)nc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095392801 525065827 /nfs/dbraw/zinc/06/58/27/525065827.db2.gz VOUSSFOAPKSCEW-FQEVSTJZSA-N 1 1 371.485 1.213 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3sc(C)nc3C)C[C@@H]2C1 ZINC000095391768 525065970 /nfs/dbraw/zinc/06/59/70/525065970.db2.gz SQEZNJFVCRQUBC-RHSMWYFYSA-N 1 1 353.488 1.192 50 0 FDAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)C[C@@H]1C ZINC000095461106 525072675 /nfs/dbraw/zinc/07/26/75/525072675.db2.gz WUQZAIYRSLANHO-LSDHHAIUSA-N 1 1 362.474 1.467 50 0 FDAAMO COc1nccnc1N1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091440345 525076278 /nfs/dbraw/zinc/07/62/78/525076278.db2.gz VAQVLRFORZXRTF-UHFFFAOYSA-N 1 1 368.445 1.551 50 0 FDAAMO Cn1c(C[N@@H+]2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCOCC1 ZINC000095477964 525079126 /nfs/dbraw/zinc/07/91/26/525079126.db2.gz KBUQFWFMWHZJCQ-UHFFFAOYSA-N 1 1 369.465 1.481 50 0 FDAAMO Cn1c(C[N@H+]2CCc3ccccc3C2)cc(=O)c(O)c1CN1CCOCC1 ZINC000095477964 525079132 /nfs/dbraw/zinc/07/91/32/525079132.db2.gz KBUQFWFMWHZJCQ-UHFFFAOYSA-N 1 1 369.465 1.481 50 0 FDAAMO NC(=O)Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000095518089 525096899 /nfs/dbraw/zinc/09/68/99/525096899.db2.gz UTCFNMFNSZRKDA-OAHLLOKOSA-N 1 1 366.425 1.798 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095525540 525104056 /nfs/dbraw/zinc/10/40/56/525104056.db2.gz QXFDIXPBHFSFKG-GOEBONIOSA-N 1 1 373.482 1.688 50 0 FDAAMO CCN(CC(=O)NC(C)C)[C@H]1CCCC[C@@H]1[N@@H+](CC)CC(=O)NC(C)C ZINC000095943813 525108981 /nfs/dbraw/zinc/10/89/81/525108981.db2.gz PKSGBEZKJKKJTH-ROUUACIJSA-N 1 1 368.566 1.991 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H](O)c2ccc[nH]2)CC1)Nc1ccccc1Cl ZINC000095948603 525109523 /nfs/dbraw/zinc/10/95/23/525109523.db2.gz KLRNAQOHFBMVCO-QGZVFWFLSA-N 1 1 362.861 1.958 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC(C)(C)C ZINC000095995921 525115088 /nfs/dbraw/zinc/11/50/88/525115088.db2.gz JEDCOIQHQUYVFY-HOTGVXAUSA-N 1 1 368.566 1.991 50 0 FDAAMO CC(=O)c1cccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000096104530 525133068 /nfs/dbraw/zinc/13/30/68/525133068.db2.gz YWFHGVOIYUBSDR-MRXNPFEDSA-N 1 1 352.456 1.109 50 0 FDAAMO CCCn1nc(Cc2ccccc2OC)nc1C1CC[NH+](CC(N)=O)CC1 ZINC000096132404 525137214 /nfs/dbraw/zinc/13/72/14/525137214.db2.gz DKPQHJBGRVSCFH-UHFFFAOYSA-N 1 1 371.485 1.952 50 0 FDAAMO C[C@@H](CCc1nc(CC(N)=O)nn1-c1ccccc1F)N1CC[NH+](C)CC1 ZINC000096164481 525147206 /nfs/dbraw/zinc/14/72/06/525147206.db2.gz YRTYCMNYMRDRDH-AWEZNQCLSA-N 1 1 374.464 1.003 50 0 FDAAMO COCCNC(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097086806 525171933 /nfs/dbraw/zinc/17/19/33/525171933.db2.gz BDSSHPBQDUCQQV-GOSISDBHSA-N 1 1 374.485 1.151 50 0 FDAAMO COCCNC(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097086806 525171945 /nfs/dbraw/zinc/17/19/45/525171945.db2.gz BDSSHPBQDUCQQV-GOSISDBHSA-N 1 1 374.485 1.151 50 0 FDAAMO CN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)o2)c2sccc2S1(=O)=O ZINC000097474940 525184019 /nfs/dbraw/zinc/18/40/19/525184019.db2.gz ZIGUUYUQTVMELX-LLVKDONJSA-N 1 1 369.468 1.508 50 0 FDAAMO CC(C)c1nnsc1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)o1 ZINC000097527383 525185371 /nfs/dbraw/zinc/18/53/71/525185371.db2.gz MAYSNONZGNUFBT-UHFFFAOYSA-N 1 1 363.487 1.932 50 0 FDAAMO O=C(NCCNC(=O)[C@H]1CCC[N@H+](C2CCCCC2)C1)c1cccnc1 ZINC000097572271 525189272 /nfs/dbraw/zinc/18/92/72/525189272.db2.gz LEBISPIIEOHGTI-KRWDZBQOSA-N 1 1 358.486 1.972 50 0 FDAAMO COc1ccc([C@H](CNS(=O)(=O)Cc2ccon2)[NH+]2CCCC2)cc1 ZINC000097598591 525189457 /nfs/dbraw/zinc/18/94/57/525189457.db2.gz JHCSXSNZYBZEGO-KRWDZBQOSA-N 1 1 365.455 1.940 50 0 FDAAMO COc1cccc(CNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000097600894 525189514 /nfs/dbraw/zinc/18/95/14/525189514.db2.gz ZUFVYQLTXKJODW-INIZCTEOSA-N 1 1 366.483 1.211 50 0 FDAAMO Cn1c(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)cc2ccc(Cl)cc21 ZINC000097694861 525191350 /nfs/dbraw/zinc/19/13/50/525191350.db2.gz TWRKDSOMQGEXQS-ZDUSSCGKSA-N 1 1 362.861 1.759 50 0 FDAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccnc(-n2cnnc2)c1 ZINC000097654203 525191422 /nfs/dbraw/zinc/19/14/22/525191422.db2.gz RGHGAWLEBYINLU-HNNXBMFYSA-N 1 1 362.437 1.839 50 0 FDAAMO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)o2)CC1 ZINC000097654148 525191507 /nfs/dbraw/zinc/19/15/07/525191507.db2.gz FEWHPXYQEAKOCY-OAHLLOKOSA-N 1 1 357.458 1.770 50 0 FDAAMO Cc1ocnc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000097773223 525195515 /nfs/dbraw/zinc/19/55/15/525195515.db2.gz QFTKGKFHOIACGK-RVSXGSNBSA-N 1 1 352.438 1.280 50 0 FDAAMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)C[C@H]1C ZINC000242155952 525755238 /nfs/dbraw/zinc/75/52/38/525755238.db2.gz WUQZAIYRSLANHO-CABCVRRESA-N 1 1 362.474 1.467 50 0 FDAAMO O=C(CCCn1cnnn1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000082106823 526472050 /nfs/dbraw/zinc/47/20/50/526472050.db2.gz LLBYICWSDAEGJO-UHFFFAOYSA-N 1 1 356.474 1.620 50 0 FDAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)NCCc1nccc(-c2ccccc2)n1 ZINC000091616918 526521350 /nfs/dbraw/zinc/52/13/50/526521350.db2.gz RYCYBXLCVXUBPS-SFHVURJKSA-N 1 1 350.426 1.842 50 0 FDAAMO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)[C@@H]1CNCCO1 ZINC000082097326 526645879 /nfs/dbraw/zinc/64/58/79/526645879.db2.gz VOHAKUWVFPHNLP-SFHVURJKSA-N 1 1 361.490 1.026 50 0 FDAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)[C@@H]1CNCCO1 ZINC000082097326 526645884 /nfs/dbraw/zinc/64/58/84/526645884.db2.gz VOHAKUWVFPHNLP-SFHVURJKSA-N 1 1 361.490 1.026 50 0 FDAAMO O=C(CN1C(=O)COc2ccccc21)NCC[N@H+]1CCc2ccccc2C1 ZINC000020688210 526710419 /nfs/dbraw/zinc/71/04/19/526710419.db2.gz JKCSDGKYNLTSEL-UHFFFAOYSA-N 1 1 365.433 1.587 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](c2nccn2Cc2ccccc2)C1)N1CCOCC1 ZINC000082115893 526757105 /nfs/dbraw/zinc/75/71/05/526757105.db2.gz VKUHFAPYNBAPDY-IBGZPJMESA-N 1 1 368.481 1.970 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 ZINC000082161353 527389256 /nfs/dbraw/zinc/38/92/56/527389256.db2.gz RCHZMYMDAOCCCA-LJQANCHMSA-N 1 1 362.474 1.195 50 0 FDAAMO OCC[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2Cl)CC1 ZINC000020591038 527553212 /nfs/dbraw/zinc/55/32/12/527553212.db2.gz OWTVCWRUKMVYSN-UHFFFAOYSA-N 1 1 372.860 1.642 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000252477633 527616345 /nfs/dbraw/zinc/61/63/45/527616345.db2.gz RRTMQMGHMADQJH-AZUAARDMSA-N 1 1 370.497 1.579 50 0 FDAAMO CCNc1cc[nH+]c(N2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)n1 ZINC000095391064 535527278 /nfs/dbraw/zinc/52/72/78/535527278.db2.gz PLAXBTQWVOEHSC-CQSZACIVSA-N 1 1 367.461 1.666 50 0 FDAAMO CCc1cnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc1 ZINC000071759985 536056350 /nfs/dbraw/zinc/05/63/50/536056350.db2.gz NXMNRJCGYHLFNI-MRXNPFEDSA-N 1 1 357.502 1.998 50 0 FDAAMO CC(C)c1nc(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)cs1 ZINC000252508600 537250522 /nfs/dbraw/zinc/25/05/22/537250522.db2.gz XPTFSYOZIQTEIV-AWEZNQCLSA-N 1 1 352.504 1.524 50 0 FDAAMO CC(C)c1nc(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)cs1 ZINC000252508600 537250523 /nfs/dbraw/zinc/25/05/23/537250523.db2.gz XPTFSYOZIQTEIV-AWEZNQCLSA-N 1 1 352.504 1.524 50 0 FDAAMO CCc1nn(C)c(Cl)c1CN1CC[NH+](CCN2CCOCC2)CC1 ZINC000215878427 537444522 /nfs/dbraw/zinc/44/45/22/537444522.db2.gz KARARMXHAVLZLA-UHFFFAOYSA-N 1 1 355.914 1.086 50 0 FDAAMO Cc1ncsc1CCCNC(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000221354343 537499898 /nfs/dbraw/zinc/49/98/98/537499898.db2.gz GTGRGFSHZYEFIP-CYBMUJFWSA-N 1 1 359.517 1.009 50 0 FDAAMO Cc1ncsc1CCCNC(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000221354343 537499907 /nfs/dbraw/zinc/49/99/07/537499907.db2.gz GTGRGFSHZYEFIP-CYBMUJFWSA-N 1 1 359.517 1.009 50 0 FDAAMO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@]3(C(=O)OC)C2)c1 ZINC000222264333 537504985 /nfs/dbraw/zinc/50/49/85/537504985.db2.gz RXUKZBDGEKHSMX-FOIQADDNSA-N 1 1 373.453 1.650 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C[C@H](C)O ZINC000225323907 537543818 /nfs/dbraw/zinc/54/38/18/537543818.db2.gz JFEZKAHGFPARER-SIJXKNKUSA-N 1 1 352.500 1.482 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@H+]1C[C@H](C)O ZINC000225323907 537543830 /nfs/dbraw/zinc/54/38/30/537543830.db2.gz JFEZKAHGFPARER-SIJXKNKUSA-N 1 1 352.500 1.482 50 0 FDAAMO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(N3N=C(C)[C@](O)(CC)C3=O)c2)C1 ZINC000230474098 537580680 /nfs/dbraw/zinc/58/06/80/537580680.db2.gz HULGZUIIFHJSHC-DNVCBOLYSA-N 1 1 358.442 1.374 50 0 FDAAMO CC[N@@H+]1CCO[C@@H](CNC(=O)NCc2noc(C)n2)[C@@H]1c1ccccc1 ZINC000284860117 537598310 /nfs/dbraw/zinc/59/83/10/537598310.db2.gz KXXVRKBLPVGJBI-RDJZCZTQSA-N 1 1 359.430 1.639 50 0 FDAAMO CC[N@H+]1CCO[C@@H](CNC(=O)NCc2noc(C)n2)[C@@H]1c1ccccc1 ZINC000284860117 537598315 /nfs/dbraw/zinc/59/83/15/537598315.db2.gz KXXVRKBLPVGJBI-RDJZCZTQSA-N 1 1 359.430 1.639 50 0 FDAAMO Cn1cc(C[N@@H+]2CCC[C@H](OCc3noc(C4CCOCC4)n3)C2)cn1 ZINC000409421394 537850143 /nfs/dbraw/zinc/85/01/43/537850143.db2.gz DJFNWZCCAZJZFM-INIZCTEOSA-N 1 1 361.446 1.878 50 0 FDAAMO Cn1cc(C[N@H+]2CCC[C@H](OCc3noc(C4CCOCC4)n3)C2)cn1 ZINC000409421394 537850148 /nfs/dbraw/zinc/85/01/48/537850148.db2.gz DJFNWZCCAZJZFM-INIZCTEOSA-N 1 1 361.446 1.878 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)Nc1cc(-c2nnn(C)n2)ccc1C ZINC000426677952 538122657 /nfs/dbraw/zinc/12/26/57/538122657.db2.gz ZCTOBSPRZCQEKL-UHFFFAOYSA-N 1 1 354.418 1.766 50 0 FDAAMO Cc1cccc(N2CC[C@H](CNC(=O)N3CC[NH+](CCCO)CC3)C2)c1 ZINC000584898216 551567153 /nfs/dbraw/zinc/56/71/53/551567153.db2.gz WHQPRICZDILEFX-GOSISDBHSA-N 1 1 360.502 1.531 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000245329251 568197921 /nfs/dbraw/zinc/19/79/21/568197921.db2.gz RXYXDZIZCAWVBF-DOTOQJQBSA-N 1 1 373.501 1.019 50 0 FDAAMO [NH3+]CCOc1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c1 ZINC000426503766 570613418 /nfs/dbraw/zinc/61/34/18/570613418.db2.gz YXVMHFKKSDSYRV-LJQANCHMSA-N 1 1 363.421 1.930 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1Cc3ccccc3C[N@H+]1C)CC2 ZINC000426573350 570616891 /nfs/dbraw/zinc/61/68/91/570616891.db2.gz YBQSWUUJGIBEGA-SFHVURJKSA-N 1 1 352.438 1.475 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H]1Cc3ccccc3C[N@@H+]1C)CC2 ZINC000426573350 570616892 /nfs/dbraw/zinc/61/68/92/570616892.db2.gz YBQSWUUJGIBEGA-SFHVURJKSA-N 1 1 352.438 1.475 50 0 FDAAMO O=C(Cc1ccncc1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670471219 571045952 /nfs/dbraw/zinc/04/59/52/571045952.db2.gz VMBBQEBKTWAOOB-NFOQDIRWSA-N 1 1 362.477 1.308 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(-c2cc(=O)[nH]c(N)n2)c1 ZINC000426361476 571136823 /nfs/dbraw/zinc/13/68/23/571136823.db2.gz ZYMIMVZIMHYPCF-UHFFFAOYSA-N 1 1 366.425 2.010 50 0 FDAAMO C[N@H+]1CCCN(C(=O)c2cc(N)cc(S(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000299758281 571192902 /nfs/dbraw/zinc/19/29/02/571192902.db2.gz QTVPWSSONZDSII-UHFFFAOYSA-N 1 1 368.503 1.123 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](O)C1 ZINC000299760383 571193169 /nfs/dbraw/zinc/19/31/69/571193169.db2.gz GDYVONAOQYPPDV-GDBMZVCRSA-N 1 1 364.833 1.705 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cn2)[C@H](O)C1 ZINC000299760383 571193171 /nfs/dbraw/zinc/19/31/71/571193171.db2.gz GDYVONAOQYPPDV-GDBMZVCRSA-N 1 1 364.833 1.705 50 0 FDAAMO CCn1cnnc1CCNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299763913 571194035 /nfs/dbraw/zinc/19/40/35/571194035.db2.gz YYSYOZIGJPWNFS-KRWDZBQOSA-N 1 1 357.458 1.248 50 0 FDAAMO CCn1cnnc1CCNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299763913 571194036 /nfs/dbraw/zinc/19/40/36/571194036.db2.gz YYSYOZIGJPWNFS-KRWDZBQOSA-N 1 1 357.458 1.248 50 0 FDAAMO CCc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)o1 ZINC000299786149 571199472 /nfs/dbraw/zinc/19/94/72/571199472.db2.gz IVWYGLBJRHYICE-HUUCEWRRSA-N 1 1 362.430 1.515 50 0 FDAAMO CCc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)o1 ZINC000299786149 571199474 /nfs/dbraw/zinc/19/94/74/571199474.db2.gz IVWYGLBJRHYICE-HUUCEWRRSA-N 1 1 362.430 1.515 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(Cc2nc[nH]n2)CC1 ZINC000299789302 571200189 /nfs/dbraw/zinc/20/01/89/571200189.db2.gz YUMICBJYDJHYQW-KRWDZBQOSA-N 1 1 354.458 1.114 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000299789302 571200190 /nfs/dbraw/zinc/20/01/90/571200190.db2.gz YUMICBJYDJHYQW-KRWDZBQOSA-N 1 1 354.458 1.114 50 0 FDAAMO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000299789302 571200193 /nfs/dbraw/zinc/20/01/93/571200193.db2.gz YUMICBJYDJHYQW-KRWDZBQOSA-N 1 1 354.458 1.114 50 0 FDAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000299792681 571201285 /nfs/dbraw/zinc/20/12/85/571201285.db2.gz GOZPZCPZYNYPJB-LJQANCHMSA-N 1 1 355.486 1.557 50 0 FDAAMO CN(CCC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000299792681 571201288 /nfs/dbraw/zinc/20/12/88/571201288.db2.gz GOZPZCPZYNYPJB-LJQANCHMSA-N 1 1 355.486 1.557 50 0 FDAAMO CN(CCC(=O)NCCc1cnn(-c2ccccc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000299792681 571201291 /nfs/dbraw/zinc/20/12/91/571201291.db2.gz GOZPZCPZYNYPJB-LJQANCHMSA-N 1 1 355.486 1.557 50 0 FDAAMO COc1nc2ccccc2nc1CCC(=O)N1CC[N@H+](C)[C@H](CCO)C1 ZINC000426382684 571217489 /nfs/dbraw/zinc/21/74/89/571217489.db2.gz KYGBBTMSXJYYSQ-CQSZACIVSA-N 1 1 358.442 1.096 50 0 FDAAMO COc1nc2ccccc2nc1CCC(=O)N1CC[N@@H+](C)[C@H](CCO)C1 ZINC000426382684 571217492 /nfs/dbraw/zinc/21/74/92/571217492.db2.gz KYGBBTMSXJYYSQ-CQSZACIVSA-N 1 1 358.442 1.096 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)N1CCCCC1 ZINC000426387782 571218384 /nfs/dbraw/zinc/21/83/84/571218384.db2.gz BGRKKKGCKSNAFQ-MOMVYJMYSA-N 1 1 354.498 1.750 50 0 FDAAMO COc1ccc(CN(C)C(=O)[C@H](C)N2CC[NH+](C)CC2)c2cccnc12 ZINC000426399084 571220098 /nfs/dbraw/zinc/22/00/98/571220098.db2.gz UWVPVNMNASDGEG-HNNXBMFYSA-N 1 1 356.470 1.838 50 0 FDAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000426440314 571225261 /nfs/dbraw/zinc/22/52/61/571225261.db2.gz QMJMIQQIQBZGGD-QGZVFWFLSA-N 1 1 374.485 1.404 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)c3onc4c3CCCC4)CC[N@@H+]2C)CCC1=O ZINC000426484436 571227530 /nfs/dbraw/zinc/22/75/30/571227530.db2.gz KXFKLWCVVBWIHG-HXUWFJFHSA-N 1 1 374.485 1.712 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)c3onc4c3CCCC4)CC[N@H+]2C)CCC1=O ZINC000426484436 571227532 /nfs/dbraw/zinc/22/75/32/571227532.db2.gz KXFKLWCVVBWIHG-HXUWFJFHSA-N 1 1 374.485 1.712 50 0 FDAAMO CN(Cc1[nH]nc2c1CCC2)C(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426534043 571230606 /nfs/dbraw/zinc/23/06/06/571230606.db2.gz KLRNIQNCCUVLCG-GOSISDBHSA-N 1 1 356.426 1.888 50 0 FDAAMO O=C(NCCCc1ccccc1)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000426627627 571233785 /nfs/dbraw/zinc/23/37/85/571233785.db2.gz GBFKFOYZNPDUNG-UHFFFAOYSA-N 1 1 374.529 1.403 50 0 FDAAMO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@H+]3CCCC[C@H]3CO)cc2s1 ZINC000670449461 571352234 /nfs/dbraw/zinc/35/22/34/571352234.db2.gz PMSGHIVPLLDCLK-NSHDSACASA-N 1 1 371.484 1.127 50 0 FDAAMO O=c1[nH]c2ccc(S(=O)(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2s1 ZINC000670449461 571352235 /nfs/dbraw/zinc/35/22/35/571352235.db2.gz PMSGHIVPLLDCLK-NSHDSACASA-N 1 1 371.484 1.127 50 0 FDAAMO CNC(=O)c1cc(S(=O)(=O)NCCCn2cc[nH+]c2C(C)C)cs1 ZINC000670453109 571352852 /nfs/dbraw/zinc/35/28/52/571352852.db2.gz FOWIZKQARPJDGL-UHFFFAOYSA-N 1 1 370.500 1.796 50 0 FDAAMO Nc1nc(CCCNC(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)cs1 ZINC000670462248 571356978 /nfs/dbraw/zinc/35/69/78/571356978.db2.gz CFUROLVIROPKJO-CYBMUJFWSA-N 1 1 352.504 1.665 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]2O)CC1 ZINC000022920504 670698927 /nfs/dbraw/zinc/69/89/27/670698927.db2.gz WKPVARCPWWKAOM-HZPDHXFCSA-N 1 1 355.841 1.302 50 0 FDAAMO COCCO[C@@H]1C[N@@H+](C2CCN(S(C)(=O)=O)CC2)C12CCCCC2 ZINC000257177254 672629994 /nfs/dbraw/zinc/62/99/94/672629994.db2.gz DOGHLLCNSKEWJY-MRXNPFEDSA-N 1 1 360.520 1.461 50 0 FDAAMO CN1CCN(C(=O)CCCCCCCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000022203919 773570547 /nfs/dbraw/zinc/57/05/47/773570547.db2.gz KMBLUHMBRZOAPG-UHFFFAOYSA-N 1 1 366.550 1.655 50 0 FDAAMO COCC[N@@H+]1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000117290226 774748737 /nfs/dbraw/zinc/74/87/37/774748737.db2.gz LNVYXKYYXVOWOQ-HNNXBMFYSA-N 1 1 362.470 1.958 50 0 FDAAMO COCC[N@H+]1CCN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@@H]1C ZINC000117290226 774748741 /nfs/dbraw/zinc/74/87/41/774748741.db2.gz LNVYXKYYXVOWOQ-HNNXBMFYSA-N 1 1 362.470 1.958 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO ZINC000257191993 794021977 /nfs/dbraw/zinc/02/19/77/794021977.db2.gz SDUMTGVJCVZWNX-MAUKXSAKSA-N 1 1 358.442 1.228 50 0 FDAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO ZINC000257191993 794021987 /nfs/dbraw/zinc/02/19/87/794021987.db2.gz SDUMTGVJCVZWNX-MAUKXSAKSA-N 1 1 358.442 1.228 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@H](c3cc4n(n3)CCCNC4=O)C2)n1 ZINC000675009544 795201208 /nfs/dbraw/zinc/20/12/08/795201208.db2.gz YIPNSKWGSZWYMP-AWEZNQCLSA-N 1 1 355.442 1.800 50 0 FDAAMO CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCOCC2)N1 ZINC000675013758 795219083 /nfs/dbraw/zinc/21/90/83/795219083.db2.gz JLZDWZXTSOWWNA-INIZCTEOSA-N 1 1 372.473 1.195 50 0 FDAAMO CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCOCC2)[NH2+]1 ZINC000675013758 795219085 /nfs/dbraw/zinc/21/90/85/795219085.db2.gz JLZDWZXTSOWWNA-INIZCTEOSA-N 1 1 372.473 1.195 50 0 FDAAMO COc1ncc(Br)cc1CNC(=O)NC[C@H]1CC[N@H+]1C1CC1 ZINC000888100109 808219636 /nfs/dbraw/zinc/21/96/36/808219636.db2.gz LMGOFICSOHHFNE-CYBMUJFWSA-N 1 1 369.263 1.889 50 0 FDAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3Cn4cccc4C(=O)N3C)CC2)cc1 ZINC000169774700 864507333 /nfs/dbraw/zinc/50/73/33/864507333.db2.gz JAWNQHJPPQVLCQ-IBGZPJMESA-N 1 1 366.465 1.595 50 0 FDAAMO Cc1cc(N)n(CC(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000012459339 882123730 /nfs/dbraw/zinc/12/37/30/882123730.db2.gz RJKLHFRMJLBKIN-QGZVFWFLSA-N 1 1 353.470 1.522 50 0 FDAAMO C/C=C(\C)C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000011996314 873054074 /nfs/dbraw/zinc/05/40/74/873054074.db2.gz WZQMQCJYCAIAKA-DOCFVWFQSA-N 1 1 361.490 1.706 50 0 FDAAMO Cn1c(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)nc2ccccc2c1=O ZINC000528643487 909121035 /nfs/dbraw/zinc/12/10/35/909121035.db2.gz YOFRPUZPADUBFZ-OAHLLOKOSA-N 1 1 357.454 1.687 50 0 FDAAMO Cn1c(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)nc2ccccc2c1=O ZINC000528643487 909121041 /nfs/dbraw/zinc/12/10/41/909121041.db2.gz YOFRPUZPADUBFZ-OAHLLOKOSA-N 1 1 357.454 1.687 50 0 FDAAMO CCCNC(=O)N1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000822927605 921034676 /nfs/dbraw/zinc/03/46/76/921034676.db2.gz HVZSJEJZPYZJTE-INIZCTEOSA-N 1 1 366.506 1.284 50 0 FDAAMO C[N@H+]1CCC[C@H](NC(=O)N(CCCn2ccnc2)Cc2ccncc2)C1 ZINC000823770594 922048322 /nfs/dbraw/zinc/04/83/22/922048322.db2.gz HBWCPVLLZMFNAT-SFHVURJKSA-N 1 1 356.474 1.974 50 0 FDAAMO NC(=O)C1(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CCCC1 ZINC000828000359 924803364 /nfs/dbraw/zinc/80/33/64/924803364.db2.gz AJYQNIAMGXHZQQ-INIZCTEOSA-N 1 1 362.449 1.887 50 0 FDAAMO NC(=O)C1(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CCCC1 ZINC000828000359 924803372 /nfs/dbraw/zinc/80/33/72/924803372.db2.gz AJYQNIAMGXHZQQ-INIZCTEOSA-N 1 1 362.449 1.887 50 0 FDAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000828116132 924823378 /nfs/dbraw/zinc/82/33/78/924823378.db2.gz OJULYFRHVGYXQM-HNNXBMFYSA-N 1 1 361.409 1.534 50 0 FDAAMO O=C(c1ccncc1)N1CCC2(CC1)C[N@@H+](C[C@@H]1CCCCO1)CCO2 ZINC000828193986 924843825 /nfs/dbraw/zinc/84/38/25/924843825.db2.gz ZBRITFLLTVHVEF-SFHVURJKSA-N 1 1 359.470 1.958 50 0 FDAAMO COc1cc2c(cc1[C@H]1N[C@](CO)(CCCO)[C@H]3C[N@H+](C)C[C@H]31)CCC2 ZINC000065396716 926895790 /nfs/dbraw/zinc/89/57/90/926895790.db2.gz UJZACBSZILJCQB-JYRKZWEQSA-N 1 1 360.498 1.510 50 0 FDAAMO COc1cc2c(cc1[C@H]1N[C@](CO)(CCCO)[C@H]3C[N@@H+](C)C[C@H]31)CCC2 ZINC000065396716 926895803 /nfs/dbraw/zinc/89/58/03/926895803.db2.gz UJZACBSZILJCQB-JYRKZWEQSA-N 1 1 360.498 1.510 50 0 FDAAMO COc1cccc(CN2C(=O)CCCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000581785172 927578973 /nfs/dbraw/zinc/57/89/73/927578973.db2.gz FJWRNTPDTYUBKE-SFHVURJKSA-N 1 1 359.470 1.740 50 0 FDAAMO CCS(=O)(=O)N1CCC([N@H+]2C[C@H](OCCOC)C23CCCCC3)CC1 ZINC000581802892 927588772 /nfs/dbraw/zinc/58/87/72/927588772.db2.gz RFJKVRNQWCMPLQ-KRWDZBQOSA-N 1 1 374.547 1.851 50 0 FDAAMO CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000581822263 927618079 /nfs/dbraw/zinc/61/80/79/927618079.db2.gz ZAZCAGDVHMAKRH-MRXNPFEDSA-N 1 1 351.491 1.395 50 0 FDAAMO OC[C@H]1CN(c2nc(N3CCOCC3)cc[nH+]2)CC[C@H]1c1ccccc1 ZINC000585082683 943816654 /nfs/dbraw/zinc/81/66/54/943816654.db2.gz IECUEYGGAAQWNK-MSOLQXFVSA-N 1 1 354.454 1.916 50 0 FDAAMO COCC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2cc(OC)ccc2OC)C1 ZINC000952965499 960250229 /nfs/dbraw/zinc/25/02/29/960250229.db2.gz PQRDWFLIAUNXII-CQSZACIVSA-N 1 1 372.487 1.293 50 0 FDAAMO Cc1cc(C(=O)N2CCOC3(CCN(c4nc(N)cc[nH+]4)CC3)C2)c(C)o1 ZINC000952965573 960250473 /nfs/dbraw/zinc/25/04/73/960250473.db2.gz RYIQJSPGHQKIQN-UHFFFAOYSA-N 1 1 371.441 1.780 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(N)nc2c1CCCC2 ZINC000952989983 960314787 /nfs/dbraw/zinc/31/47/87/960314787.db2.gz ZPAKOHJTLWDJMY-HNNXBMFYSA-N 1 1 351.454 1.724 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1nc(N)nc2c1CCCC2 ZINC000952989983 960314789 /nfs/dbraw/zinc/31/47/89/960314789.db2.gz ZPAKOHJTLWDJMY-HNNXBMFYSA-N 1 1 351.454 1.724 50 0 FDAAMO C[NH+]1CCN(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccncc2)CC1 ZINC000886025637 985836739 /nfs/dbraw/zinc/83/67/39/985836739.db2.gz PAWMCPHPEODMNL-UHFFFAOYSA-N 1 1 357.389 1.674 50 0 FDAAMO Cn1nc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)cc2)ccc1=O ZINC000534633458 540392618 /nfs/dbraw/zinc/39/26/18/540392618.db2.gz INWKORQJNNVFPT-KRWDZBQOSA-N 1 1 370.453 1.024 50 0 FDAAMO Cc1nnc([C@@H]2CCCN(C(=O)NCC3(C[NH+]4CCOCC4)CC3)C2)[nH]1 ZINC000534631843 540391915 /nfs/dbraw/zinc/39/19/15/540391915.db2.gz ICDYPLIQWYBRQG-OAHLLOKOSA-N 1 1 362.478 1.115 50 0 FDAAMO CS(=O)(=O)Nc1ccc(F)c(NC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000299798833 223103441 /nfs/dbraw/zinc/10/34/41/223103441.db2.gz OUTNFUZZDZVXQP-UHFFFAOYSA-N 1 1 374.438 1.041 50 0 FDAAMO CO[C@]12CCN(C(=O)Cn3c[nH+]c(C)c3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000299786028 203770335 /nfs/dbraw/zinc/77/03/35/203770335.db2.gz PIFIQHQLCHMHIH-XYJFISCASA-N 1 1 351.447 1.047 50 0 FDAAMO Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[N@@H+](C)Cc1ccccc1 ZINC000007425505 204297696 /nfs/dbraw/zinc/29/76/96/204297696.db2.gz YCFDJFISTUONNG-UHFFFAOYSA-N 1 1 366.425 1.116 50 0 FDAAMO COc1ccc(C[N@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008942109 204349940 /nfs/dbraw/zinc/34/99/40/204349940.db2.gz DNTHMIZOJILTDS-UHFFFAOYSA-N 1 1 371.437 1.705 50 0 FDAAMO COc1ccc(C[N@@H+](C)CC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000008942109 204349944 /nfs/dbraw/zinc/34/99/44/204349944.db2.gz DNTHMIZOJILTDS-UHFFFAOYSA-N 1 1 371.437 1.705 50 0 FDAAMO Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC000010233895 204392738 /nfs/dbraw/zinc/39/27/38/204392738.db2.gz BFGNWXNUWDBKAR-LLVKDONJSA-N 1 1 358.446 1.025 50 0 FDAAMO CC(C)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046140851 205132619 /nfs/dbraw/zinc/13/26/19/205132619.db2.gz AKYPZUYKYSUIOY-UHFFFAOYSA-N 1 1 367.515 1.410 50 0 FDAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000054991680 205202979 /nfs/dbraw/zinc/20/29/79/205202979.db2.gz TUUAAPCDJKXCTJ-UHFFFAOYSA-N 1 1 351.472 1.894 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)cc1 ZINC000055343518 205216909 /nfs/dbraw/zinc/21/69/09/205216909.db2.gz NANVAZLFIJGWRL-UHFFFAOYSA-N 1 1 350.488 1.986 50 0 FDAAMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccc(F)cc1 ZINC000053087901 205190729 /nfs/dbraw/zinc/19/07/29/205190729.db2.gz FKZQNPDISNKTIP-NSHDSACASA-N 1 1 362.405 1.071 50 0 FDAAMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1ccc(F)cc1 ZINC000053087901 205190732 /nfs/dbraw/zinc/19/07/32/205190732.db2.gz FKZQNPDISNKTIP-NSHDSACASA-N 1 1 362.405 1.071 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2occc2C)CC1 ZINC000058186455 205256888 /nfs/dbraw/zinc/25/68/88/205256888.db2.gz HVSJQEWXQJMSIA-LBPRGKRZSA-N 1 1 350.419 1.016 50 0 FDAAMO C[NH+]1CCN(C2=NCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC000064677752 205302947 /nfs/dbraw/zinc/30/29/47/205302947.db2.gz XWKJZZWKIRIZKR-UHFFFAOYSA-N 1 1 351.248 1.508 50 0 FDAAMO Cn1cc(CCC(=O)NCCC[NH+]2CCOCC2)c(-c2ccc(F)cc2)n1 ZINC000064861204 205307884 /nfs/dbraw/zinc/30/78/84/205307884.db2.gz HHCPDDSMRNCICQ-UHFFFAOYSA-N 1 1 374.460 1.997 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CC=C(c2cnn(-c3ccc4c(c3)OCCO4)c2)CC1 ZINC000065457579 205352164 /nfs/dbraw/zinc/35/21/64/205352164.db2.gz ZEQLQTBVFIPLIK-UHFFFAOYSA-N 1 1 368.437 1.821 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CC=C(c2cnn(-c3ccc4c(c3)OCCO4)c2)CC1 ZINC000065457579 205352169 /nfs/dbraw/zinc/35/21/69/205352169.db2.gz ZEQLQTBVFIPLIK-UHFFFAOYSA-N 1 1 368.437 1.821 50 0 FDAAMO Nc1nc(C[NH2+]Cc2ccc(OCC(=O)N3CCOCC3)cc2)cs1 ZINC000065463856 205353969 /nfs/dbraw/zinc/35/39/69/205353969.db2.gz ZVEYHNJUOFKUMA-UHFFFAOYSA-N 1 1 362.455 1.253 50 0 FDAAMO Cc1cccc([C@@H](C(=O)NCc2cccnc2-n2cncn2)[NH+](C)C)c1 ZINC000065504839 205355971 /nfs/dbraw/zinc/35/59/71/205355971.db2.gz GLSVZLSULATGIC-KRWDZBQOSA-N 1 1 350.426 1.890 50 0 FDAAMO Cc1ccsc1C[N@@H+]1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1 ZINC000067446883 205371832 /nfs/dbraw/zinc/37/18/32/205371832.db2.gz JGKISCMHIFBNFU-JKSUJKDBSA-N 1 1 365.499 1.784 50 0 FDAAMO Cc1ccsc1C[N@H+]1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1 ZINC000067446883 205371836 /nfs/dbraw/zinc/37/18/36/205371836.db2.gz JGKISCMHIFBNFU-JKSUJKDBSA-N 1 1 365.499 1.784 50 0 FDAAMO C[N@@H+](Cc1cnccn1)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067641340 205377578 /nfs/dbraw/zinc/37/75/78/205377578.db2.gz KTLCPYAJCWFLGM-NRFANRHFSA-N 1 1 368.481 1.895 50 0 FDAAMO CCNc1cc(N2CCN(C(=O)COc3ccccc3)CC2)[nH+]c(C)n1 ZINC000067621700 205378778 /nfs/dbraw/zinc/37/87/78/205378778.db2.gz JGXLTAHVHRYMAB-UHFFFAOYSA-N 1 1 355.442 1.944 50 0 FDAAMO CN1CCN(C(=O)c2cc(C[N@@H+](C)CCc3ccccc3)on2)CC1=O ZINC000067834127 205395979 /nfs/dbraw/zinc/39/59/79/205395979.db2.gz DUMXLVSIXRIOGM-UHFFFAOYSA-N 1 1 356.426 1.263 50 0 FDAAMO Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)c1 ZINC000067855581 205397631 /nfs/dbraw/zinc/39/76/31/205397631.db2.gz WJUBBDFODWNQSR-AEFFLSMTSA-N 1 1 354.454 1.814 50 0 FDAAMO CN(C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)C1Cc2ccccc2C1 ZINC000067878574 205399638 /nfs/dbraw/zinc/39/96/38/205399638.db2.gz CFVATGZXZXTYSL-MRXNPFEDSA-N 1 1 350.484 1.121 50 0 FDAAMO CN(C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)C1Cc2ccccc2C1 ZINC000067878574 205399641 /nfs/dbraw/zinc/39/96/41/205399641.db2.gz CFVATGZXZXTYSL-MRXNPFEDSA-N 1 1 350.484 1.121 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1O ZINC000105074395 206003246 /nfs/dbraw/zinc/00/32/46/206003246.db2.gz RAWGDJHFEWGEEX-BRWVUGGUSA-N 1 1 362.470 1.852 50 0 FDAAMO Cc1ccc(=O)n([C@H](C)C(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000044395459 206068915 /nfs/dbraw/zinc/06/89/15/206068915.db2.gz UEJRLFAPVVMCIH-QGZVFWFLSA-N 1 1 354.454 1.500 50 0 FDAAMO C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000237131165 206087766 /nfs/dbraw/zinc/08/77/66/206087766.db2.gz LXZQRKOVMVEEFY-INIZCTEOSA-N 1 1 365.449 1.513 50 0 FDAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000005045608 206188325 /nfs/dbraw/zinc/18/83/25/206188325.db2.gz PMDDJPDHAJRDGR-UHFFFAOYSA-N 1 1 351.472 1.896 50 0 FDAAMO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc2c1=O ZINC000170613338 206274332 /nfs/dbraw/zinc/27/43/32/206274332.db2.gz HBFUBCYVJJEDSY-YOEHRIQHSA-N 1 1 354.454 1.928 50 0 FDAAMO Cc1cn2nc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2c(=O)[nH]1 ZINC000206645716 206279677 /nfs/dbraw/zinc/27/96/77/206279677.db2.gz OQZAAYBNLJUUIO-UHFFFAOYSA-N 1 1 351.410 1.119 50 0 FDAAMO Cc1cn2nc(C(=O)NCC[N@H+]3CCc4ccccc4C3)cc2c(=O)[nH]1 ZINC000206645716 206279682 /nfs/dbraw/zinc/27/96/82/206279682.db2.gz OQZAAYBNLJUUIO-UHFFFAOYSA-N 1 1 351.410 1.119 50 0 FDAAMO CC(C)[N@@H+](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)Cc1ccccc1 ZINC000010931047 206282205 /nfs/dbraw/zinc/28/22/05/206282205.db2.gz PXKMXAAAZVZGNP-UHFFFAOYSA-N 1 1 368.437 1.734 50 0 FDAAMO CC(C)[NH+](CCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000012141350 206288369 /nfs/dbraw/zinc/28/83/69/206288369.db2.gz UREXHHNMHBKXSZ-UHFFFAOYSA-N 1 1 362.517 1.487 50 0 FDAAMO O=C(CN1C(=O)CC2(CCCC2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012777372 206296029 /nfs/dbraw/zinc/29/60/29/206296029.db2.gz JQYHZTNWNWEKCP-UHFFFAOYSA-N 1 1 369.465 1.650 50 0 FDAAMO Cc1oc(-c2cnn(C)c2)nc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000177397118 206299260 /nfs/dbraw/zinc/29/92/60/206299260.db2.gz FCEICRWLERRKGM-HNNXBMFYSA-N 1 1 361.446 1.470 50 0 FDAAMO COc1cc(C)ccc1OCCn1ncc(N2CCC[N@@H+](C)CC2)cc1=O ZINC000020998358 206334923 /nfs/dbraw/zinc/33/49/23/206334923.db2.gz HAMUWNGDNKOUIR-UHFFFAOYSA-N 1 1 372.469 1.781 50 0 FDAAMO Cc1nc(C)c(CC(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c(=O)[nH]1 ZINC000215066475 206344506 /nfs/dbraw/zinc/34/45/06/206344506.db2.gz POFUFYBWSSIHKF-UHFFFAOYSA-N 1 1 355.442 1.059 50 0 FDAAMO Cc1nc(C)c(CC(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c(=O)[nH]1 ZINC000215066475 206344510 /nfs/dbraw/zinc/34/45/10/206344510.db2.gz POFUFYBWSSIHKF-UHFFFAOYSA-N 1 1 355.442 1.059 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC000022516555 206379191 /nfs/dbraw/zinc/37/91/91/206379191.db2.gz XVTWSZNTGMSZDC-LJQANCHMSA-N 1 1 372.513 1.192 50 0 FDAAMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc(Cl)c1OCC(N)=O ZINC000057553658 206385962 /nfs/dbraw/zinc/38/59/62/206385962.db2.gz MXVTZYKJFHSDFI-LLVKDONJSA-N 1 1 367.833 1.179 50 0 FDAAMO Cc1cc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)no1 ZINC000286632124 183115242 /nfs/dbraw/zinc/11/52/42/183115242.db2.gz DITKSWLNYCBDLE-KBXCAEBGSA-N 1 1 360.462 1.670 50 0 FDAAMO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)no1 ZINC000286632124 183115244 /nfs/dbraw/zinc/11/52/44/183115244.db2.gz DITKSWLNYCBDLE-KBXCAEBGSA-N 1 1 360.462 1.670 50 0 FDAAMO Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)no1 ZINC000286632124 183115245 /nfs/dbraw/zinc/11/52/45/183115245.db2.gz DITKSWLNYCBDLE-KBXCAEBGSA-N 1 1 360.462 1.670 50 0 FDAAMO O=C(CCN1Cc2ccccc2C1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000252537309 206578674 /nfs/dbraw/zinc/57/86/74/206578674.db2.gz KXXFEXBIPXYSEH-ZJOUEHCJSA-N 1 1 357.498 1.648 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)cc1 ZINC000082106507 132194925 /nfs/dbraw/zinc/19/49/25/132194925.db2.gz VQTYDUIYCKQHFN-CALCHBBNSA-N 1 1 359.470 1.670 50 0 FDAAMO Cc1cccc(N2CCC([N@H+]3C[C@H](NC(=O)CO)[C@@H](C4CC4)C3)CC2)c1 ZINC000091817647 132204009 /nfs/dbraw/zinc/20/40/09/132204009.db2.gz DREIWAFEGMOBBF-UXHICEINSA-N 1 1 357.498 1.783 50 0 FDAAMO Nc1cc[nH+]c(N2CC[C@]3(O)CCN(C(=O)C4CCCCC4)C[C@@H]3C2)n1 ZINC000091987576 132205319 /nfs/dbraw/zinc/20/53/19/132205319.db2.gz PPSGLQYXXMVTDG-DNVCBOLYSA-N 1 1 359.474 1.429 50 0 FDAAMO CNc1nc(C)cc(N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)n1 ZINC000092061716 132205721 /nfs/dbraw/zinc/20/57/21/132205721.db2.gz ZGRNVIGETZMQNQ-UHFFFAOYSA-N 1 1 374.533 1.987 50 0 FDAAMO Cc1[nH+]c(N)nc(N2CCC([NH2+][C@H](C)c3n[nH]c(=O)[n-]3)CC2)c1Cl ZINC000095354951 132207314 /nfs/dbraw/zinc/20/73/14/132207314.db2.gz UYATTZWXXYSYDL-MRVPVSSYSA-N 1 1 352.830 1.164 50 0 FDAAMO C[C@@H]1Oc2ccc(NC(=O)NCCC[NH+]3CCOCC3)cc2N(C)C1=O ZINC000095518821 132213979 /nfs/dbraw/zinc/21/39/79/132213979.db2.gz TXXRHFYNFPWVEK-ZDUSSCGKSA-N 1 1 362.430 1.274 50 0 FDAAMO COc1nccnc1N1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000106985535 132240806 /nfs/dbraw/zinc/24/08/06/132240806.db2.gz PECIVSGBBWCREO-SFHVURJKSA-N 1 1 356.470 1.991 50 0 FDAAMO COc1ccnc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230172189 132289094 /nfs/dbraw/zinc/28/90/94/132289094.db2.gz NYPNMQDBMNHSQK-LJQANCHMSA-N 1 1 359.474 1.398 50 0 FDAAMO Cc1ccccc1CN1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244873312 132291427 /nfs/dbraw/zinc/29/14/27/132291427.db2.gz WNXRTKTYNSPCIU-CALCHBBNSA-N 1 1 352.486 1.894 50 0 FDAAMO Cn1cc([C@@H](Nc2nc(N3CCC(O)CC3)cc[nH+]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244852888 132291463 /nfs/dbraw/zinc/29/14/63/132291463.db2.gz VBDDKBJPHFJILJ-MJEQTWJJSA-N 1 1 358.446 1.095 50 0 FDAAMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008394539 132843533 /nfs/dbraw/zinc/84/35/33/132843533.db2.gz DDJKCXJAXPREFU-LLVKDONJSA-N 1 1 374.470 1.597 50 0 FDAAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCN1C(=O)COc2ccccc21 ZINC000054620708 136125673 /nfs/dbraw/zinc/12/56/73/136125673.db2.gz LWYYWGCDJHMCGQ-CQSZACIVSA-N 1 1 356.426 1.760 50 0 FDAAMO CC(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058291096 136131451 /nfs/dbraw/zinc/13/14/51/136131451.db2.gz JVSIXBYAROMUFQ-BBWFWOEESA-N 1 1 361.490 1.259 50 0 FDAAMO CC(C)[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058291096 136131452 /nfs/dbraw/zinc/13/14/52/136131452.db2.gz JVSIXBYAROMUFQ-BBWFWOEESA-N 1 1 361.490 1.259 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(c3cc(N)ncn3)C[C@@H]2CCO)cc(OC)c1 ZINC000072423370 136146177 /nfs/dbraw/zinc/14/61/77/136146177.db2.gz GXRSGHNKUPXIGW-HNNXBMFYSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1cc(C[N@H+]2CCN(c3cc(N)ncn3)C[C@@H]2CCO)cc(OC)c1 ZINC000072423370 136146178 /nfs/dbraw/zinc/14/61/78/136146178.db2.gz GXRSGHNKUPXIGW-HNNXBMFYSA-N 1 1 373.457 1.149 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncccc3C(N)=O)C[C@@H]2CCO)cc1 ZINC000072435738 136147308 /nfs/dbraw/zinc/14/73/08/136147308.db2.gz MFORUZGRKXFPOF-KRWDZBQOSA-N 1 1 354.454 1.562 50 0 FDAAMO OCC[C@H]1CN(c2ncnc3nc[nH]c32)CC[N@@H+]1Cc1ccccc1F ZINC000072454252 136148443 /nfs/dbraw/zinc/14/84/43/136148443.db2.gz XYMLRXYJZTUFCE-AWEZNQCLSA-N 1 1 356.405 1.565 50 0 FDAAMO OCC[C@H]1CN(c2ncnc3nc[nH]c32)CC[N@H+]1Cc1ccccc1F ZINC000072454252 136148444 /nfs/dbraw/zinc/14/84/44/136148444.db2.gz XYMLRXYJZTUFCE-AWEZNQCLSA-N 1 1 356.405 1.565 50 0 FDAAMO Cc1nc2ncnn2c(N2CC[NH+](CCO)CC2)c1Cc1ccccc1 ZINC000019199920 136152176 /nfs/dbraw/zinc/15/21/76/136152176.db2.gz BHSBYPNTDFKHKR-UHFFFAOYSA-N 1 1 352.442 1.138 50 0 FDAAMO C[C@@H](C(=O)N[C@H](CO)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000331074540 259174975 /nfs/dbraw/zinc/17/49/75/259174975.db2.gz KUGYFEPDJAFDQW-SMDDNHRTSA-N 1 1 360.285 1.779 50 0 FDAAMO Cc1cc(NC(=O)Cn2cc[nH+]c2C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000331492051 259199817 /nfs/dbraw/zinc/19/98/17/259199817.db2.gz NBEAESBRTNOGTG-CYBMUJFWSA-N 1 1 365.459 1.510 50 0 FDAAMO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3nccnc32)cc1 ZINC000009074309 518497066 /nfs/dbraw/zinc/49/70/66/518497066.db2.gz LALWRWCNPGBVII-UHFFFAOYSA-N 1 1 351.414 1.924 50 0 FDAAMO O[C@H]1CCC[N@@H+](CCNc2nc3nonc3nc2N2CCCCCC2)C1 ZINC000011957264 518582711 /nfs/dbraw/zinc/58/27/11/518582711.db2.gz DXOZCZXNAAFTIY-ZDUSSCGKSA-N 1 1 361.450 1.262 50 0 FDAAMO C/C=C(\C)C[N@@H+]1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 ZINC000012034539 518583434 /nfs/dbraw/zinc/58/34/34/518583434.db2.gz VVPXKMPXINBSOB-HQYXKAPLSA-N 1 1 368.485 1.746 50 0 FDAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 ZINC000012209885 518596521 /nfs/dbraw/zinc/59/65/21/518596521.db2.gz FTYHSNJEFKFLQY-FQEVSTJZSA-N 1 1 368.485 1.886 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3cnn(C)c3)C2=O)c1 ZINC000012477911 518617401 /nfs/dbraw/zinc/61/74/01/518617401.db2.gz NEPSIKRMAIIVCV-HXUWFJFHSA-N 1 1 356.470 1.714 50 0 FDAAMO Cc1c(-c2ccccc2)sc2ncnc(N3CC[NH2+][C@@H](C(N)=O)C3)c12 ZINC000014158512 518679086 /nfs/dbraw/zinc/67/90/86/518679086.db2.gz OCTIZJYAOPEDNF-CYBMUJFWSA-N 1 1 353.451 1.930 50 0 FDAAMO NC(=O)NC(=O)CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014158775 518679140 /nfs/dbraw/zinc/67/91/40/518679140.db2.gz FRJHFMZEUIZKQJ-UHFFFAOYSA-N 1 1 359.352 1.198 50 0 FDAAMO C[N@@H+](Cc1ccno1)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000015067929 518707666 /nfs/dbraw/zinc/70/76/66/518707666.db2.gz VSOMJSGMIJJVFV-SFHVURJKSA-N 1 1 365.380 1.938 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nnc(Cc2ccc(OC)c(OC)c2)o1 ZINC000015675149 518730757 /nfs/dbraw/zinc/73/07/57/518730757.db2.gz KPUZEPPLKBEWOM-CQSZACIVSA-N 1 1 374.441 1.892 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(CN2CCOCC2)on1 ZINC000015769488 518732931 /nfs/dbraw/zinc/73/29/31/518732931.db2.gz ZTYWCPTZKFBWEE-OAHLLOKOSA-N 1 1 350.463 1.501 50 0 FDAAMO COc1cccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2cnn3C)c1 ZINC000017148918 518778024 /nfs/dbraw/zinc/77/80/24/518778024.db2.gz OCGQAKYJZXVEPH-UHFFFAOYSA-N 1 1 353.430 1.867 50 0 FDAAMO OCC[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2Cl)CC1 ZINC000022699183 518907271 /nfs/dbraw/zinc/90/72/71/518907271.db2.gz COAPYCLCDLIRHV-UHFFFAOYSA-N 1 1 358.833 1.583 50 0 FDAAMO Nc1cccc2c1C(=O)N(CN1CC[NH+](Cc3cccs3)CC1)C2=O ZINC000022924378 518922143 /nfs/dbraw/zinc/92/21/43/518922143.db2.gz YXDHNMFTOVPOFN-UHFFFAOYSA-N 1 1 356.451 1.702 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000022970371 518925234 /nfs/dbraw/zinc/92/52/34/518925234.db2.gz QRZZFEPZJWQVFP-HNNXBMFYSA-N 1 1 357.495 1.764 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000025228537 519045948 /nfs/dbraw/zinc/04/59/48/519045948.db2.gz YMNQPERCJYTLDX-UHFFFAOYSA-N 1 1 369.469 1.429 50 0 FDAAMO COC(=O)c1cc2oc3ccccc3c2n1C[C@@H](O)C[NH+]1CCOCC1 ZINC000025762195 519082105 /nfs/dbraw/zinc/08/21/05/519082105.db2.gz SKKCDYHHWGQHQN-ZDUSSCGKSA-N 1 1 358.394 1.867 50 0 FDAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 ZINC000028842745 519253769 /nfs/dbraw/zinc/25/37/69/519253769.db2.gz JASZHNYVGJNDFJ-OKILXGFUSA-N 1 1 369.487 1.375 50 0 FDAAMO CCC(CC)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[NH+]1CCOCC1 ZINC000029208120 519276969 /nfs/dbraw/zinc/27/69/69/519276969.db2.gz HCRMAIBXERWDDU-KRWDZBQOSA-N 1 1 372.469 1.790 50 0 FDAAMO CC(C)[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1 ZINC000032865656 519546140 /nfs/dbraw/zinc/54/61/40/519546140.db2.gz BLJXMJQWPNAOIW-UHFFFAOYSA-N 1 1 356.426 1.547 50 0 FDAAMO Cc1ccc(C)c(-n2nnnc2SCC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000032963978 519557917 /nfs/dbraw/zinc/55/79/17/519557917.db2.gz SOJCTFLOBQNXPZ-UHFFFAOYSA-N 1 1 360.487 1.535 50 0 FDAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000035877164 519612590 /nfs/dbraw/zinc/61/25/90/519612590.db2.gz DDBNPHFKULZTKC-IHSNIMORSA-N 1 1 353.422 1.713 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000019867627 520952366 /nfs/dbraw/zinc/95/23/66/520952366.db2.gz QPCJYNKAGOAZLO-INIZCTEOSA-N 1 1 356.850 1.992 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[N@H+](C)CC(=O)NCC(F)(F)F)cc1 ZINC000069927389 521978832 /nfs/dbraw/zinc/97/88/32/521978832.db2.gz DHFBGUZDAAQTDF-NSHDSACASA-N 1 1 350.337 1.045 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[N@@H+](C)CC(=O)NCC(F)(F)F)cc1 ZINC000069927389 521978840 /nfs/dbraw/zinc/97/88/40/521978840.db2.gz DHFBGUZDAAQTDF-NSHDSACASA-N 1 1 350.337 1.045 50 0 FDAAMO COCC[C@]1(O)CC[N@@H+](CC(=O)NCCc2ccc(F)cc2)C[C@H]1C ZINC000091391212 522005415 /nfs/dbraw/zinc/00/54/15/522005415.db2.gz XRTQVALRZWCGEF-DNVCBOLYSA-N 1 1 352.450 1.594 50 0 FDAAMO O=C(NCCO)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071403991 522111661 /nfs/dbraw/zinc/11/16/61/522111661.db2.gz WXPUNAWUTMNXHI-IBGZPJMESA-N 1 1 359.514 1.514 50 0 FDAAMO Cn1nccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071422333 522114436 /nfs/dbraw/zinc/11/44/36/522114436.db2.gz WHNQFKBGDMGHIV-INIZCTEOSA-N 1 1 373.501 1.359 50 0 FDAAMO NC(=O)c1ccc(-c2nc3c(c(=O)[nH]2)CC[N@@H+](C[C@H]2CCOC2)C3)cc1 ZINC000071661764 522116340 /nfs/dbraw/zinc/11/63/40/522116340.db2.gz WJFIKNBKMFNAOE-GFCCVEGCSA-N 1 1 354.410 1.343 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccn3)CC2)C1 ZINC000071755052 522126875 /nfs/dbraw/zinc/12/68/75/522126875.db2.gz RWRAQERORXESFG-GOSISDBHSA-N 1 1 374.529 1.563 50 0 FDAAMO CN(Cc1ncc[nH]1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071767707 522129512 /nfs/dbraw/zinc/12/95/12/522129512.db2.gz OTHQRBLHGMRPTE-INIZCTEOSA-N 1 1 373.501 1.481 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ncccn3)CC2)C1)N1CCOCC1 ZINC000071764579 522130790 /nfs/dbraw/zinc/13/07/90/522130790.db2.gz MNBDIEONGBEEIG-KRWDZBQOSA-N 1 1 373.501 1.012 50 0 FDAAMO CN1CCC(Cc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000071776752 522131776 /nfs/dbraw/zinc/13/17/76/522131776.db2.gz YMADGCHIKRKHFZ-AWEZNQCLSA-N 1 1 352.504 1.231 50 0 FDAAMO CN(C)c1ncnc2c1CCN(C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1)C2 ZINC000072124168 522155418 /nfs/dbraw/zinc/15/54/18/522155418.db2.gz SFRRYAGRRQRHHY-GOSISDBHSA-N 1 1 366.469 1.659 50 0 FDAAMO O=C([C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1)N1CCCC1 ZINC000072130710 522160056 /nfs/dbraw/zinc/16/00/56/522160056.db2.gz LQFKXULIJIDKEY-KRWDZBQOSA-N 1 1 357.433 1.612 50 0 FDAAMO O=C([C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCN1)N1CCCC1 ZINC000072130710 522160065 /nfs/dbraw/zinc/16/00/65/522160065.db2.gz LQFKXULIJIDKEY-KRWDZBQOSA-N 1 1 357.433 1.612 50 0 FDAAMO O=S(=O)(N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1cccnc1 ZINC000072151294 522179113 /nfs/dbraw/zinc/17/91/13/522179113.db2.gz FRTXXSVEVOXRQG-QGZVFWFLSA-N 1 1 357.479 1.992 50 0 FDAAMO CN1CCCNC(=O)C12CCN(C(=O)c1ccccc1[C@H]1CC[NH2+]C1)CC2 ZINC000072155993 522183135 /nfs/dbraw/zinc/18/31/35/522183135.db2.gz QZEFQRFCMSVHAS-INIZCTEOSA-N 1 1 370.497 1.190 50 0 FDAAMO CCOCc1cc(C[N@@H+]2CCN[C@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000072156484 522183380 /nfs/dbraw/zinc/18/33/80/522183380.db2.gz DBJZAMKARVVWMD-SFHVURJKSA-N 1 1 361.486 1.628 50 0 FDAAMO CCOCc1cc(C[N@H+]2CCN[C@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000072156484 522183400 /nfs/dbraw/zinc/18/34/00/522183400.db2.gz DBJZAMKARVVWMD-SFHVURJKSA-N 1 1 361.486 1.628 50 0 FDAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NCCC(N)=O)Cc2ccccc2C1 ZINC000072160889 522185457 /nfs/dbraw/zinc/18/54/57/522185457.db2.gz YBXRUYVQOPIYJI-UHFFFAOYSA-N 1 1 365.477 1.690 50 0 FDAAMO O=C([O-])[C@H]1CC2(C[N@H+]1Cc1ccccc1Cn1cccn1)CC[NH2+]CC2 ZINC000072158008 522186792 /nfs/dbraw/zinc/18/67/92/522186792.db2.gz VNEMEKDEDLPKMI-GOSISDBHSA-N 1 1 354.454 1.960 50 0 FDAAMO O=C(COc1ccccc1)NC[C@@]1(O)CCC[N@@H+](Cc2cnc[nH]2)CC1 ZINC000072171391 522198755 /nfs/dbraw/zinc/19/87/55/522198755.db2.gz YKPGCRRKEJRYBV-LJQANCHMSA-N 1 1 358.442 1.322 50 0 FDAAMO O=C(COc1ccccc1)NC[C@@]1(O)CCC[N@H+](Cc2c[nH]cn2)CC1 ZINC000072171391 522198764 /nfs/dbraw/zinc/19/87/64/522198764.db2.gz YKPGCRRKEJRYBV-LJQANCHMSA-N 1 1 358.442 1.322 50 0 FDAAMO O=C(COc1ccccc1)NC[C@@]1(O)CCC[N@@H+](Cc2c[nH]cn2)CC1 ZINC000072171391 522198768 /nfs/dbraw/zinc/19/87/68/522198768.db2.gz YKPGCRRKEJRYBV-LJQANCHMSA-N 1 1 358.442 1.322 50 0 FDAAMO CC(C)[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000072286022 522204440 /nfs/dbraw/zinc/20/44/40/522204440.db2.gz JCBBMFPSYJKOFU-CABCVRRESA-N 1 1 350.463 1.528 50 0 FDAAMO CC[C@H](CO)[NH+]1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc32)CC1 ZINC000089943499 522205376 /nfs/dbraw/zinc/20/53/76/522205376.db2.gz JPASPIZKWOXZRH-OAHLLOKOSA-N 1 1 372.469 1.506 50 0 FDAAMO Cc1cc(=O)[nH]c(SCC(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000072409203 522239095 /nfs/dbraw/zinc/23/90/95/522239095.db2.gz XNUUZRLWQFQBRU-MRXNPFEDSA-N 1 1 372.494 1.686 50 0 FDAAMO Cc1cc(=O)[nH]c(SCC(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000072409203 522239102 /nfs/dbraw/zinc/23/91/02/522239102.db2.gz XNUUZRLWQFQBRU-MRXNPFEDSA-N 1 1 372.494 1.686 50 0 FDAAMO CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072419752 522249999 /nfs/dbraw/zinc/24/99/99/522249999.db2.gz IKUBDVMXRWCXIH-LJQANCHMSA-N 1 1 361.442 1.570 50 0 FDAAMO Cn1cncc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072422916 522253298 /nfs/dbraw/zinc/25/32/98/522253298.db2.gz UCDJSIZMVWJIAK-QFBILLFUSA-N 1 1 353.470 1.871 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000072428945 522263798 /nfs/dbraw/zinc/26/37/98/522263798.db2.gz OSJPJIXEUUGTOR-CQSZACIVSA-N 1 1 367.457 1.542 50 0 FDAAMO CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072428141 522263956 /nfs/dbraw/zinc/26/39/56/522263956.db2.gz OUXAWKQFNKLHID-GOSISDBHSA-N 1 1 369.469 1.769 50 0 FDAAMO O=C1NCCCC[C@H]1Nc1ncnc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000072428263 522264607 /nfs/dbraw/zinc/26/46/07/522264607.db2.gz UOABOWMMKOAJPU-QGZVFWFLSA-N 1 1 355.442 1.751 50 0 FDAAMO CN1C[C@]2(CCC[N@H+](C3CCN(C(=O)c4ccncc4)CC3)C2)OC1=O ZINC000072447394 522278956 /nfs/dbraw/zinc/27/89/56/522278956.db2.gz STJZKTLXFQHMFB-IBGZPJMESA-N 1 1 358.442 1.603 50 0 FDAAMO CC(C)C[N@@H+](C)Cc1cc2n(n1)CCCN(C(=O)CCn1cnnc1)C2 ZINC000072462598 522286701 /nfs/dbraw/zinc/28/67/01/522286701.db2.gz DIZCELYNIWQBDH-UHFFFAOYSA-N 1 1 359.478 1.385 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@](CO)(CCOC)C2)cc1 ZINC000091462189 522287134 /nfs/dbraw/zinc/28/71/34/522287134.db2.gz AZQJCUJMWDYHFF-QGZVFWFLSA-N 1 1 356.488 1.206 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4oc(=O)n(C)c4c3)CC2)C[C@H](C)O1 ZINC000072472867 522293556 /nfs/dbraw/zinc/29/35/56/522293556.db2.gz FZVQYOOZHQPSKF-OKILXGFUSA-N 1 1 373.453 1.845 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000072475208 522295087 /nfs/dbraw/zinc/29/50/87/522295087.db2.gz BZEMKCGUTDHRSF-MRXNPFEDSA-N 1 1 371.489 1.004 50 0 FDAAMO CNc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cs1 ZINC000072473933 522295867 /nfs/dbraw/zinc/29/58/67/522295867.db2.gz JRXGVQZNRAXSOG-OAHLLOKOSA-N 1 1 360.483 1.894 50 0 FDAAMO CNc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)cs1 ZINC000072473933 522295880 /nfs/dbraw/zinc/29/58/80/522295880.db2.gz JRXGVQZNRAXSOG-OAHLLOKOSA-N 1 1 360.483 1.894 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072480687 522304975 /nfs/dbraw/zinc/30/49/75/522304975.db2.gz IGRFMJZLAGMTSS-INIZCTEOSA-N 1 1 362.522 1.459 50 0 FDAAMO CN1C[C@@]2(CCC[N@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)OC1=O ZINC000072481063 522306077 /nfs/dbraw/zinc/30/60/77/522306077.db2.gz REOBVFFGDNGNDR-LJQANCHMSA-N 1 1 358.442 1.603 50 0 FDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 ZINC000089943501 522556118 /nfs/dbraw/zinc/55/61/18/522556118.db2.gz DSFBKIHXWOWFMT-JSGCOSHPSA-N 1 1 363.483 1.648 50 0 FDAAMO Cc1ccccc1SCC(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000075572216 522935782 /nfs/dbraw/zinc/93/57/82/522935782.db2.gz SLDNRPLCISHCMF-OAHLLOKOSA-N 1 1 370.540 1.664 50 0 FDAAMO Cc1ccc2nc(C)cc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000077298273 523286371 /nfs/dbraw/zinc/28/63/71/523286371.db2.gz XKLSQVNGOGKXQK-OAHLLOKOSA-N 1 1 354.454 1.779 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077406831 523327588 /nfs/dbraw/zinc/32/75/88/523327588.db2.gz MRODGFITKMOKLJ-UHFFFAOYSA-N 1 1 350.426 1.561 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077406831 523327595 /nfs/dbraw/zinc/32/75/95/523327595.db2.gz MRODGFITKMOKLJ-UHFFFAOYSA-N 1 1 350.426 1.561 50 0 FDAAMO Cc1ccc2nc(C)cc(C(=O)N[C@H]3COC[C@@H]3N3CC[NH+](C)CC3)c2c1 ZINC000077428464 523334390 /nfs/dbraw/zinc/33/43/90/523334390.db2.gz WOPKAOHBVMPCDF-PMACEKPBSA-N 1 1 368.481 1.596 50 0 FDAAMO C[C@@H]1CN(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000077453501 523342316 /nfs/dbraw/zinc/34/23/16/523342316.db2.gz XUBAEJQGLZUXGR-CALCHBBNSA-N 1 1 363.477 1.969 50 0 FDAAMO C[C@@H]1CN(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000077453501 523342322 /nfs/dbraw/zinc/34/23/22/523342322.db2.gz XUBAEJQGLZUXGR-CALCHBBNSA-N 1 1 363.477 1.969 50 0 FDAAMO CCCc1nn(-c2ccccc2)c(=O)n1CC(=O)N1CCC[N@@H+](C)CC1 ZINC000077456242 523346668 /nfs/dbraw/zinc/34/66/68/523346668.db2.gz RNHUNPIUGWQYEM-UHFFFAOYSA-N 1 1 357.458 1.151 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000077505419 523365416 /nfs/dbraw/zinc/36/54/16/523365416.db2.gz HTJDSKDXGDQIFU-IBGZPJMESA-N 1 1 362.474 1.195 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(Cc2c(C)nc3sccn23)C[C@@H]1CO ZINC000091550432 523618471 /nfs/dbraw/zinc/61/84/71/523618471.db2.gz GQOGXOXIYVQXGG-HUUCEWRRSA-N 1 1 352.504 1.323 50 0 FDAAMO C[N@H+]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)CC1 ZINC000244882521 523804646 /nfs/dbraw/zinc/80/46/46/523804646.db2.gz XTJNRNVXGVAOIY-WKILWMFISA-N 1 1 372.469 1.583 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccc4[nH]ccc4c3)no2)CC1 ZINC000020677174 523898631 /nfs/dbraw/zinc/89/86/31/523898631.db2.gz XUSFKTFLYDUHHH-UHFFFAOYSA-N 1 1 368.441 1.585 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1CO ZINC000091643815 524061444 /nfs/dbraw/zinc/06/14/44/524061444.db2.gz WWBHEKUOSJBSGH-HUUCEWRRSA-N 1 1 353.894 1.514 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1CO ZINC000091643815 524061446 /nfs/dbraw/zinc/06/14/46/524061446.db2.gz WWBHEKUOSJBSGH-HUUCEWRRSA-N 1 1 353.894 1.514 50 0 FDAAMO C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)C[C@]12CCNC(=O)CC2 ZINC000091325477 524692212 /nfs/dbraw/zinc/69/22/12/524692212.db2.gz OCKUUYYMXMSWFU-SFHVURJKSA-N 1 1 360.414 1.234 50 0 FDAAMO CN1CC[C@]2(CN(Cc3nc(C(F)(F)F)no3)CC[N@H+]2C)CCC1=O ZINC000091390851 524698147 /nfs/dbraw/zinc/69/81/47/524698147.db2.gz CIEYYHFGJNJJIB-AWEZNQCLSA-N 1 1 361.368 1.217 50 0 FDAAMO COc1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c(OC)n1 ZINC000091440918 524706568 /nfs/dbraw/zinc/70/65/68/524706568.db2.gz XFBDSDJJBXNKMS-UHFFFAOYSA-N 1 1 371.441 1.441 50 0 FDAAMO CN(C)c1nc(N2CC[C@]3(C2)CCCN(CCO)C3=O)c2c([nH+]1)CCCC2 ZINC000091468264 524711377 /nfs/dbraw/zinc/71/13/77/524711377.db2.gz WNMNTSXMFKOHRW-FQEVSTJZSA-N 1 1 373.501 1.233 50 0 FDAAMO Cc1[nH]ccc1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091493769 524716784 /nfs/dbraw/zinc/71/67/84/524716784.db2.gz JOMDEIRZIJNCNC-INIZCTEOSA-N 1 1 358.486 1.872 50 0 FDAAMO CCc1nc(C)sc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091644959 524750937 /nfs/dbraw/zinc/75/09/37/524750937.db2.gz AWCDAHKEOKIGET-KRWDZBQOSA-N 1 1 350.488 1.440 50 0 FDAAMO CCc1nc(C)sc1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091644959 524750949 /nfs/dbraw/zinc/75/09/49/524750949.db2.gz AWCDAHKEOKIGET-KRWDZBQOSA-N 1 1 350.488 1.440 50 0 FDAAMO COCCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091691178 524762525 /nfs/dbraw/zinc/76/25/25/524762525.db2.gz WWPBAXGTZPTRPS-QFBILLFUSA-N 1 1 358.482 1.740 50 0 FDAAMO CN1CC[NH+](C[C@@H]2CN(Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000091738235 524770676 /nfs/dbraw/zinc/77/06/76/524770676.db2.gz XWADPLMURMJADN-IAGOWNOFSA-N 1 1 369.456 1.576 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@@H]1CO ZINC000091746508 524775313 /nfs/dbraw/zinc/77/53/13/524775313.db2.gz ABJFWMUCLYTVMB-QZTJIDSGSA-N 1 1 370.497 1.409 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@@H]1CO ZINC000091746508 524775327 /nfs/dbraw/zinc/77/53/27/524775327.db2.gz ABJFWMUCLYTVMB-QZTJIDSGSA-N 1 1 370.497 1.409 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000091819079 524790846 /nfs/dbraw/zinc/79/08/46/524790846.db2.gz YPXDMVGWJSEIGK-AWEZNQCLSA-N 1 1 351.834 1.140 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000091819079 524790855 /nfs/dbraw/zinc/79/08/55/524790855.db2.gz YPXDMVGWJSEIGK-AWEZNQCLSA-N 1 1 351.834 1.140 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1nnc(-c3ccc(C)n3C)o1)C2 ZINC000091872719 524803772 /nfs/dbraw/zinc/80/37/72/524803772.db2.gz CKWHHCCIAWOWOI-JKSUJKDBSA-N 1 1 359.474 1.926 50 0 FDAAMO O=C1N(CCO)CCC[C@@]12CC[N@@H+](Cc1nnc(-c3ccccc3)o1)C2 ZINC000092065955 524839067 /nfs/dbraw/zinc/83/90/67/524839067.db2.gz WVUPYQZCDWLDHQ-IBGZPJMESA-N 1 1 356.426 1.543 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CC[N@H+](C)[C@H]3CCN(C)C3)CC2=O)cc1 ZINC000082157620 524959323 /nfs/dbraw/zinc/95/93/23/524959323.db2.gz SCNRUTPIZHBZPO-SFHVURJKSA-N 1 1 358.486 1.196 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CCN(C)[C@H]3CC[N@H+](C)C3)CC2=O)cc1 ZINC000082157620 524959330 /nfs/dbraw/zinc/95/93/30/524959330.db2.gz SCNRUTPIZHBZPO-SFHVURJKSA-N 1 1 358.486 1.196 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CCN(C)[C@H]3CC[N@@H+](C)C3)CC2=O)cc1 ZINC000082157620 524959342 /nfs/dbraw/zinc/95/93/42/524959342.db2.gz SCNRUTPIZHBZPO-SFHVURJKSA-N 1 1 358.486 1.196 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCN(CC(=O)NC(C)C)CC2)[NH+](C)C)c1 ZINC000095353543 525026904 /nfs/dbraw/zinc/02/69/04/525026904.db2.gz OTUFFPYKFWNSSM-IBGZPJMESA-N 1 1 360.502 1.267 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccccc1=O)C2 ZINC000095354905 525029129 /nfs/dbraw/zinc/02/91/29/525029129.db2.gz BIMFOXASJNKRSE-DLBZAZTESA-N 1 1 370.453 1.576 50 0 FDAAMO Cc1ccc2nc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)[nH]c2c1C ZINC000095369788 525044998 /nfs/dbraw/zinc/04/49/98/525044998.db2.gz QTVBCKLUAXDKDM-AWEZNQCLSA-N 1 1 357.458 1.206 50 0 FDAAMO O=C(NCCNC(=O)[C@H](c1cccnc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000095379004 525053242 /nfs/dbraw/zinc/05/32/42/525053242.db2.gz ORTFKSIMNRPKJN-SFHVURJKSA-N 1 1 370.428 1.904 50 0 FDAAMO COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1OC ZINC000095381282 525055022 /nfs/dbraw/zinc/05/50/22/525055022.db2.gz UHGFFGAHKQYLHR-UKRRQHHQSA-N 1 1 354.472 1.560 50 0 FDAAMO COc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(C)(=O)=O)C3)c1OC ZINC000095381282 525055035 /nfs/dbraw/zinc/05/50/35/525055035.db2.gz UHGFFGAHKQYLHR-UKRRQHHQSA-N 1 1 354.472 1.560 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccco3)C1)C2 ZINC000095504790 525087758 /nfs/dbraw/zinc/08/77/58/525087758.db2.gz QFVZJZPMHNUOEY-CQSZACIVSA-N 1 1 356.426 1.436 50 0 FDAAMO O=C(CN1CCc2ccccc21)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095509990 525092419 /nfs/dbraw/zinc/09/24/19/525092419.db2.gz DGTKYQXAPDCISK-HXUWFJFHSA-N 1 1 365.477 1.754 50 0 FDAAMO COCCC[NH+]1CCN(C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 ZINC000095512005 525092994 /nfs/dbraw/zinc/09/29/94/525092994.db2.gz AIQIQNQVSUSXEH-UHFFFAOYSA-N 1 1 364.446 1.840 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)Nc1cc(OC)ccc1-n1cnnn1 ZINC000095516640 525095671 /nfs/dbraw/zinc/09/56/71/525095671.db2.gz BNKPGSLLXMLXHT-UHFFFAOYSA-N 1 1 356.390 1.252 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCc2scnc2C)C[N@@H+]1C ZINC000095523196 525100477 /nfs/dbraw/zinc/10/04/77/525100477.db2.gz DFHRQAZKBXVIFV-KGLIPLIRSA-N 1 1 352.504 1.441 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CCc2scnc2C)C[N@H+]1C ZINC000095523196 525100485 /nfs/dbraw/zinc/10/04/85/525100485.db2.gz DFHRQAZKBXVIFV-KGLIPLIRSA-N 1 1 352.504 1.441 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095529838 525105278 /nfs/dbraw/zinc/10/52/78/525105278.db2.gz GYAHMCXKRCREHS-KRWDZBQOSA-N 1 1 365.437 1.137 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000095962146 525110420 /nfs/dbraw/zinc/11/04/20/525110420.db2.gz JFEZKAHGFPARER-QZSNXIIRSA-N 1 1 352.500 1.482 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000095962146 525110424 /nfs/dbraw/zinc/11/04/24/525110424.db2.gz JFEZKAHGFPARER-QZSNXIIRSA-N 1 1 352.500 1.482 50 0 FDAAMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 ZINC000096000260 525117609 /nfs/dbraw/zinc/11/76/09/525117609.db2.gz ROOGQBWVMZRJIW-OAHLLOKOSA-N 1 1 365.499 1.114 50 0 FDAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC000096104551 525132746 /nfs/dbraw/zinc/13/27/46/525132746.db2.gz KGHAKMWAAKLMEO-OAHLLOKOSA-N 1 1 358.891 1.950 50 0 FDAAMO COCCNC(=O)c1ccc(NC(=O)N(C)C[C@]2(C)CC[N@@H+](C)C2)cc1 ZINC000096153231 525141461 /nfs/dbraw/zinc/14/14/61/525141461.db2.gz QLCIWOAZJAVDCD-LJQANCHMSA-N 1 1 362.474 1.868 50 0 FDAAMO C[C@]1(C2CC2)NC(=O)N(CN2CC[NH+](C/C=C\c3ccccc3)CC2)C1=O ZINC000096920761 525162685 /nfs/dbraw/zinc/16/26/85/525162685.db2.gz KEPQZKYCKMIANF-HUCIYCNJSA-N 1 1 368.481 1.995 50 0 FDAAMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2n1 ZINC000097631904 525188621 /nfs/dbraw/zinc/18/86/21/525188621.db2.gz QNXSPTXBJWKVFT-ZDUSSCGKSA-N 1 1 356.426 1.171 50 0 FDAAMO COc1cccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)o2)c1 ZINC000097698608 525192134 /nfs/dbraw/zinc/19/21/34/525192134.db2.gz CUCPRBOVHHOXEW-HNNXBMFYSA-N 1 1 371.437 1.882 50 0 FDAAMO Cc1nn(C)cc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000097711581 525192494 /nfs/dbraw/zinc/19/24/94/525192494.db2.gz DNIBTYBTJLVZNI-BSLVTKGXSA-N 1 1 365.481 1.026 50 0 FDAAMO COc1ccc([C@@H](O)C(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)cc1 ZINC000082108177 525205463 /nfs/dbraw/zinc/20/54/63/525205463.db2.gz ZHQNLTJFSOAYPN-LJQANCHMSA-N 1 1 372.469 1.713 50 0 FDAAMO C1=CCN(c2nc(NC3CC3)nc3c2CC[N@@H+](Cc2c[nH]cn2)CC3)C1 ZINC000101145671 525218274 /nfs/dbraw/zinc/21/82/74/525218274.db2.gz NBTVJRSEQCLUPH-UHFFFAOYSA-N 1 1 351.458 1.751 50 0 FDAAMO C1=CCN(c2nc(NC3CC3)nc3c2CC[N@H+](Cc2cnc[nH]2)CC3)C1 ZINC000101145671 525218278 /nfs/dbraw/zinc/21/82/78/525218278.db2.gz NBTVJRSEQCLUPH-UHFFFAOYSA-N 1 1 351.458 1.751 50 0 FDAAMO C1=CCN(c2nc(NC3CC3)nc3c2CC[N@@H+](Cc2cnc[nH]2)CC3)C1 ZINC000101145671 525218287 /nfs/dbraw/zinc/21/82/87/525218287.db2.gz NBTVJRSEQCLUPH-UHFFFAOYSA-N 1 1 351.458 1.751 50 0 FDAAMO CCCOC(=O)N1C[C@H]2[C@H](C[NH+]3CCN(C(=O)c4ccco4)CC3)[C@H]2C1 ZINC000102683334 525301304 /nfs/dbraw/zinc/30/13/04/525301304.db2.gz IPVDBRTUDJIXHR-PHZGNYQRSA-N 1 1 361.442 1.762 50 0 FDAAMO Cc1cc2ncc(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@H+]3C)c(=O)n2[n-]1 ZINC000102736256 525303461 /nfs/dbraw/zinc/30/34/61/525303461.db2.gz CKZPSDIDUYBGSP-INIZCTEOSA-N 1 1 365.437 1.460 50 0 FDAAMO Cc1cc2ncc(C(=O)N(C)C[C@@H]3Cc4ccccc4CN3C)c(=O)n2[n-]1 ZINC000102736256 525303469 /nfs/dbraw/zinc/30/34/69/525303469.db2.gz CKZPSDIDUYBGSP-INIZCTEOSA-N 1 1 365.437 1.460 50 0 FDAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000091416654 527334333 /nfs/dbraw/zinc/33/43/33/527334333.db2.gz VIXWPNUICJNOQW-HNNXBMFYSA-N 1 1 368.268 1.935 50 0 FDAAMO OC[C@]1(O)CCC[N@@H+](Cc2ccccc2OCCCN2CCOCC2)C1 ZINC000216374979 527628128 /nfs/dbraw/zinc/62/81/28/527628128.db2.gz JHAKGCAUZANMQE-FQEVSTJZSA-N 1 1 364.486 1.107 50 0 FDAAMO CCNc1ccnc(N2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)n1 ZINC000072427326 535528239 /nfs/dbraw/zinc/52/82/39/535528239.db2.gz FKTMYKXFVGZWKN-QGZVFWFLSA-N 1 1 371.485 1.990 50 0 FDAAMO CCNc1ccnc(N2CC[N@@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)n1 ZINC000072427326 535528245 /nfs/dbraw/zinc/52/82/45/535528245.db2.gz FKTMYKXFVGZWKN-QGZVFWFLSA-N 1 1 371.485 1.990 50 0 FDAAMO C[NH+](C)CCCNC(=O)[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000009421432 535835949 /nfs/dbraw/zinc/83/59/49/535835949.db2.gz VHCNWBXBSGSIPH-LLVKDONJSA-N 1 1 365.869 1.291 50 0 FDAAMO CCc1nc(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)cc(C)[nH+]1 ZINC000065535913 536126885 /nfs/dbraw/zinc/12/68/85/536126885.db2.gz MPXLYBYHKMSYMM-OAHLLOKOSA-N 1 1 358.446 1.149 50 0 FDAAMO C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)C1=CC[N@@H+](C)CC1 ZINC000332833004 537286066 /nfs/dbraw/zinc/28/60/66/537286066.db2.gz GUFDLFQXUUJDHF-OWQGQXMQSA-N 1 1 359.474 1.096 50 0 FDAAMO CN(C(=O)CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000220694739 537494414 /nfs/dbraw/zinc/49/44/14/537494414.db2.gz BNFWZBTWJMFWAK-SFHVURJKSA-N 1 1 364.511 1.934 50 0 FDAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000221345992 537501185 /nfs/dbraw/zinc/50/11/85/537501185.db2.gz SQUKRJMDJGAPOW-GOSISDBHSA-N 1 1 373.497 1.404 50 0 FDAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)NCC1(c2ccccc2)CCCC1 ZINC000221345992 537501193 /nfs/dbraw/zinc/50/11/93/537501193.db2.gz SQUKRJMDJGAPOW-GOSISDBHSA-N 1 1 373.497 1.404 50 0 FDAAMO CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000221924295 537502127 /nfs/dbraw/zinc/50/21/27/537502127.db2.gz WGDWOOCHMHXBGB-KGLIPLIRSA-N 1 1 356.536 1.944 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000222272688 537504638 /nfs/dbraw/zinc/50/46/38/537504638.db2.gz VFQBGOASWXJFML-LJQANCHMSA-N 1 1 365.481 1.962 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCN(c2ncccn2)CC1 ZINC000222272688 537504645 /nfs/dbraw/zinc/50/46/45/537504645.db2.gz VFQBGOASWXJFML-LJQANCHMSA-N 1 1 365.481 1.962 50 0 FDAAMO Cc1ccc2nc(SCC(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)[nH]c2c1 ZINC000222383275 537508737 /nfs/dbraw/zinc/50/87/37/537508737.db2.gz UFKGUKUILFYIPO-HOTGVXAUSA-N 1 1 360.483 1.943 50 0 FDAAMO COC(=O)Nc1ccc(S(=O)(=O)NCCn2cc[nH+]c2C2CC2)cc1 ZINC000225568725 537553612 /nfs/dbraw/zinc/55/36/12/537553612.db2.gz WCUMGIQXIURXJG-UHFFFAOYSA-N 1 1 364.427 1.917 50 0 FDAAMO Cc1nc(-c2ccc(NC(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)n[nH]1 ZINC000299777313 537594432 /nfs/dbraw/zinc/59/44/32/537594432.db2.gz KYKDTFRJGAHANM-CQSZACIVSA-N 1 1 371.445 1.099 50 0 FDAAMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000244691552 537650198 /nfs/dbraw/zinc/65/01/98/537650198.db2.gz JEUZEHHIJJCGBV-UHFFFAOYSA-N 1 1 368.528 1.700 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)CC[N@H+](C)[C@H]1CCN(C)C1 ZINC000426739742 538127292 /nfs/dbraw/zinc/12/72/92/538127292.db2.gz KQHMAFRHRKZIJB-SFHVURJKSA-N 1 1 355.486 1.823 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000426739742 538127295 /nfs/dbraw/zinc/12/72/95/538127295.db2.gz KQHMAFRHRKZIJB-SFHVURJKSA-N 1 1 355.486 1.823 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000426739742 538127297 /nfs/dbraw/zinc/12/72/97/538127297.db2.gz KQHMAFRHRKZIJB-SFHVURJKSA-N 1 1 355.486 1.823 50 0 FDAAMO Cc1cccc2nc(CCNC(=O)Cn3nccc3[C@H]3CCC[NH2+]C3)[nH]c21 ZINC000426567130 538424492 /nfs/dbraw/zinc/42/44/92/538424492.db2.gz RVEAXKZVOIHOKG-HNNXBMFYSA-N 1 1 366.469 1.894 50 0 FDAAMO Cc1csc2nc(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)cc(=O)n12 ZINC000048309597 570943190 /nfs/dbraw/zinc/94/31/90/570943190.db2.gz OVXGWYDYZKGTQP-AWEZNQCLSA-N 1 1 360.483 1.803 50 0 FDAAMO COc1ncc(CN2C[C@H]3C[N@@H+](C)CC[C@@]3(c3nc(C)no3)C2)c(C)n1 ZINC000685940564 571100115 /nfs/dbraw/zinc/10/01/15/571100115.db2.gz DATQGUUBOXBBFZ-CRAIPNDOSA-N 1 1 358.446 1.190 50 0 FDAAMO COc1ncc(C[N@@H+]2C[C@H]3CN(C)CC[C@@]3(c3nc(C)no3)C2)c(C)n1 ZINC000685940564 571100119 /nfs/dbraw/zinc/10/01/19/571100119.db2.gz DATQGUUBOXBBFZ-CRAIPNDOSA-N 1 1 358.446 1.190 50 0 FDAAMO COc1ncc(C[N@H+]2C[C@H]3CN(C)CC[C@@]3(c3nc(C)no3)C2)c(C)n1 ZINC000685940564 571100122 /nfs/dbraw/zinc/10/01/22/571100122.db2.gz DATQGUUBOXBBFZ-CRAIPNDOSA-N 1 1 358.446 1.190 50 0 FDAAMO CC(C)Oc1cccc(OCC[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000244882710 571119066 /nfs/dbraw/zinc/11/90/66/571119066.db2.gz XWYYBXGOOGESFB-OALUTQOASA-N 1 1 350.459 1.230 50 0 FDAAMO CCC1(CC)CN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CCO1 ZINC000426503544 571130967 /nfs/dbraw/zinc/13/09/67/571130967.db2.gz QAGDVDQONNNVFS-AWEZNQCLSA-N 1 1 350.463 1.780 50 0 FDAAMO CS(=O)(=O)NC1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000252481655 571131501 /nfs/dbraw/zinc/13/15/01/571131501.db2.gz CPZODBFYOKHIDV-KRWDZBQOSA-N 1 1 351.516 1.522 50 0 FDAAMO CCN1C[C@]2(CCC[N@H+](CC(=O)Nc3ccc(C(N)=O)cc3)C2)CCC1=O ZINC000252485045 571132207 /nfs/dbraw/zinc/13/22/07/571132207.db2.gz GMXMVDUUUQITEE-HXUWFJFHSA-N 1 1 372.469 1.449 50 0 FDAAMO CCN1C[C@]2(CCC[N@@H+](CC(=O)Nc3ccc(C(N)=O)cc3)C2)CCC1=O ZINC000252485045 571132208 /nfs/dbraw/zinc/13/22/08/571132208.db2.gz GMXMVDUUUQITEE-HXUWFJFHSA-N 1 1 372.469 1.449 50 0 FDAAMO OC1CN(c2nc(NCCCOc3ccccc3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000426438905 571132782 /nfs/dbraw/zinc/13/27/82/571132782.db2.gz QCENNUNYWKSHOZ-HNNXBMFYSA-N 1 1 370.453 2.042 50 0 FDAAMO OCCNc1nc(N(Cc2ccncc2)C2CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426658234 571132821 /nfs/dbraw/zinc/13/28/21/571132821.db2.gz MMFZVLDHIUPBCO-OAHLLOKOSA-N 1 1 355.442 1.949 50 0 FDAAMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C(N)=O)c(=O)[nH]1 ZINC000077515812 571140464 /nfs/dbraw/zinc/14/04/64/571140464.db2.gz ZSJGNDAYRDVGTH-UHFFFAOYSA-N 1 1 355.373 1.635 50 0 FDAAMO CCCn1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299755556 571192254 /nfs/dbraw/zinc/19/22/54/571192254.db2.gz FNTBYYLBJWYUNL-NVXWUHKLSA-N 1 1 361.446 1.263 50 0 FDAAMO CCCn1nccc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299755556 571192255 /nfs/dbraw/zinc/19/22/55/571192255.db2.gz FNTBYYLBJWYUNL-NVXWUHKLSA-N 1 1 361.446 1.263 50 0 FDAAMO C[NH+](C)CCOc1ccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299760435 571193155 /nfs/dbraw/zinc/19/31/55/571193155.db2.gz HNXGQGKGSGAAGR-OALUTQOASA-N 1 1 357.458 1.564 50 0 FDAAMO O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000091808828 571195510 /nfs/dbraw/zinc/19/55/10/571195510.db2.gz LSTVAOYUPRQQFU-INIZCTEOSA-N 1 1 368.437 1.374 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000091893861 571197335 /nfs/dbraw/zinc/19/73/35/571197335.db2.gz MIDHZCBUDFHBQF-CYBMUJFWSA-N 1 1 357.376 1.561 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H](O)C1 ZINC000299786443 571199570 /nfs/dbraw/zinc/19/95/70/571199570.db2.gz KPJXPUYDIHUNFF-NVXWUHKLSA-N 1 1 359.430 1.063 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc(C)nc(C)n2)[C@H](O)C1 ZINC000299786443 571199572 /nfs/dbraw/zinc/19/95/72/571199572.db2.gz KPJXPUYDIHUNFF-NVXWUHKLSA-N 1 1 359.430 1.063 50 0 FDAAMO CC(C)c1nc(CCNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000299793912 571201586 /nfs/dbraw/zinc/20/15/86/571201586.db2.gz HQQOQPKYJRFFAT-CQSZACIVSA-N 1 1 373.544 1.434 50 0 FDAAMO CC(C)c1nc(CCNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000299793912 571201590 /nfs/dbraw/zinc/20/15/90/571201590.db2.gz HQQOQPKYJRFFAT-CQSZACIVSA-N 1 1 373.544 1.434 50 0 FDAAMO CCc1ccccc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)CC1 ZINC000426425149 571223868 /nfs/dbraw/zinc/22/38/68/571223868.db2.gz FSYPBBCBKXCSQT-IBGZPJMESA-N 1 1 374.529 1.927 50 0 FDAAMO CCc1cc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)[nH]n1 ZINC000426445173 571226201 /nfs/dbraw/zinc/22/62/01/571226201.db2.gz WFCVWENTKFPCCN-HNNXBMFYSA-N 1 1 373.505 1.312 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2cnc3sccn3c2=O)C1 ZINC000426510631 571229252 /nfs/dbraw/zinc/22/92/52/571229252.db2.gz NCLAEVUUTHQDJB-GFCCVEGCSA-N 1 1 365.459 1.236 50 0 FDAAMO O=C(NCc1ccc2nonc2c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000426690739 571235374 /nfs/dbraw/zinc/23/53/74/571235374.db2.gz SSDYYTXLAWMLJS-OAHLLOKOSA-N 1 1 359.430 1.619 50 0 FDAAMO C[C@@H]1CN(C(=O)c2ccc3nnc(C(F)F)n3c2)CC[N@H+]1CC(C)(C)O ZINC000170086763 571262087 /nfs/dbraw/zinc/26/20/87/571262087.db2.gz XLXQOYIZNGYAIS-LLVKDONJSA-N 1 1 367.400 1.584 50 0 FDAAMO NC(=O)C[C@@H](c1ccncc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253408529 571312377 /nfs/dbraw/zinc/31/23/77/571312377.db2.gz KVBHFMJFYPNOIM-HNNXBMFYSA-N 1 1 357.410 1.734 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670454167 571353385 /nfs/dbraw/zinc/35/33/85/571353385.db2.gz SRUXOODYMNVGKG-MRXNPFEDSA-N 1 1 370.515 1.944 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670454167 571353386 /nfs/dbraw/zinc/35/33/86/571353386.db2.gz SRUXOODYMNVGKG-MRXNPFEDSA-N 1 1 370.515 1.944 50 0 FDAAMO COc1cc(Br)c(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000034994443 670876015 /nfs/dbraw/zinc/87/60/15/670876015.db2.gz MMUXDJTWZKDOIZ-SNVBAGLBSA-N 1 1 364.261 1.743 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3cnccc3C)CC2)C12CCOCC2 ZINC000581802538 787011794 /nfs/dbraw/zinc/01/17/94/787011794.db2.gz MMJWUIDBCJADJP-SFHVURJKSA-N 1 1 359.470 1.874 50 0 FDAAMO CC(C)NC(=O)N1CCC2(C[C@H](C(=O)NCc3ccccn3)[N@@H+](C)C2)CC1 ZINC000675009204 795199611 /nfs/dbraw/zinc/19/96/11/795199611.db2.gz AYLUGZYOYVHNLD-QGZVFWFLSA-N 1 1 373.501 1.602 50 0 FDAAMO COCC(=O)N1CC[N@@H+](CCOc2ccccc2)CC[C@H]1c1nnc(C)[nH]1 ZINC000675013503 795218298 /nfs/dbraw/zinc/21/82/98/795218298.db2.gz MPVIDUQKZASOTQ-KRWDZBQOSA-N 1 1 373.457 1.414 50 0 FDAAMO CC(=O)N1CC[C@@]2(CO)C[N@@H+](Cc3c[nH]nc3-c3cccs3)C[C@H]2C1 ZINC000675022388 795250069 /nfs/dbraw/zinc/25/00/69/795250069.db2.gz ZPGQVEBNPICVCW-YJBOKZPZSA-N 1 1 360.483 1.801 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCc3nc(N(C)C)[nH]c(=O)c3CC2)cc1OC ZINC000169751605 855148282 /nfs/dbraw/zinc/14/82/82/855148282.db2.gz KDYJTRVZXWBBFN-UHFFFAOYSA-N 1 1 372.469 1.844 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2Cn3cccc3C(=O)N2Cc2cccnc2)CC1 ZINC000169774928 864508503 /nfs/dbraw/zinc/50/85/03/864508503.db2.gz PRNDRSKJCQHPAD-SFHVURJKSA-N 1 1 367.453 1.072 50 0 FDAAMO CC(C)C[N@@H+]1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000012281505 877765683 /nfs/dbraw/zinc/76/56/83/877765683.db2.gz HQQHLNGGHKTQFM-UHFFFAOYSA-N 1 1 371.485 1.530 50 0 FDAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cncnc3N)cc2)CC1 ZINC000185421667 900237499 /nfs/dbraw/zinc/23/74/99/900237499.db2.gz PVWQQWWKRVYMOW-UHFFFAOYSA-N 1 1 354.458 1.126 50 0 FDAAMO CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1 ZINC000818971843 917938847 /nfs/dbraw/zinc/93/88/47/917938847.db2.gz QOBHEYCRPGOZFI-OAHLLOKOSA-N 1 1 353.488 1.080 50 0 FDAAMO CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CN(C)c4ccccc4O3)CC2)C1 ZINC000822921605 921033112 /nfs/dbraw/zinc/03/31/12/921033112.db2.gz ANUFNMNZBSDIKH-IBGZPJMESA-N 1 1 373.497 1.987 50 0 FDAAMO COC1CCN(S(=O)(=O)NCC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000824300261 922921078 /nfs/dbraw/zinc/92/10/78/922921078.db2.gz DEKUIEJCIWXNBY-MRXNPFEDSA-N 1 1 361.552 1.832 50 0 FDAAMO CN1N=C(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)CCC1=O ZINC000828052170 924810759 /nfs/dbraw/zinc/81/07/59/924810759.db2.gz HLRGXVGNVDOFJW-UHFFFAOYSA-N 1 1 371.441 1.658 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCOCC2)CC1 ZINC000581787929 927573741 /nfs/dbraw/zinc/57/37/41/927573741.db2.gz KNIPGFQRDCHEPP-HNNXBMFYSA-N 1 1 356.463 1.949 50 0 FDAAMO Cc1[nH+]cc(CN2CC(c3nc(CCN(C)C(=O)C4CC4)no3)C2)n1C ZINC000581809617 927605878 /nfs/dbraw/zinc/60/58/78/927605878.db2.gz QMOSEEIACJNSQK-UHFFFAOYSA-N 1 1 358.446 1.122 50 0 FDAAMO CC[NH+]1CCN(c2ccc(C(=O)N(C)Cc3nncn3C)cc2F)CC1 ZINC000585083298 943834164 /nfs/dbraw/zinc/83/41/64/943834164.db2.gz OTBXCNQAGHSLHS-UHFFFAOYSA-N 1 1 360.437 1.368 50 0 FDAAMO O=C(Cn1cc(C2CC2)nn1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192222117 952869915 /nfs/dbraw/zinc/86/99/15/952869915.db2.gz MECRBGGCABSQDQ-SFHVURJKSA-N 1 1 369.469 1.563 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cncnc1N ZINC000192237330 952873975 /nfs/dbraw/zinc/87/39/75/952873975.db2.gz XEQPAMCDDKRXSV-HNNXBMFYSA-N 1 1 355.442 1.891 50 0 FDAAMO CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)CN1CCC[N@@H+](C)CC1 ZINC000952982326 960296595 /nfs/dbraw/zinc/29/65/95/960296595.db2.gz GSPGTLYGZJKDOX-UHFFFAOYSA-N 1 1 373.501 1.600 50 0 FDAAMO CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)CN1CCC[N@H+](C)CC1 ZINC000952982326 960296602 /nfs/dbraw/zinc/29/66/02/960296602.db2.gz GSPGTLYGZJKDOX-UHFFFAOYSA-N 1 1 373.501 1.600 50 0 FDAAMO CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)CN1CCC[N@@H+](C)CC1 ZINC000952982326 960296607 /nfs/dbraw/zinc/29/66/07/960296607.db2.gz GSPGTLYGZJKDOX-UHFFFAOYSA-N 1 1 373.501 1.600 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1 ZINC000534584974 540385472 /nfs/dbraw/zinc/38/54/72/540385472.db2.gz GVSIUQJWPLQYTJ-UHFFFAOYSA-N 1 1 351.410 1.772 50 0 FDAAMO CC[N@@H+](C)C[C@@H](C)CNC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000534634831 540392353 /nfs/dbraw/zinc/39/23/53/540392353.db2.gz VOSBQCFGTXJLOS-HNNXBMFYSA-N 1 1 364.465 1.767 50 0 FDAAMO O=C(NCCc1cn2cccnc2n1)C1([NH+]2CCOCC2)CCCCC1 ZINC000299799596 223103449 /nfs/dbraw/zinc/10/34/49/223103449.db2.gz UEDCBHYRUQRRTD-UHFFFAOYSA-N 1 1 357.458 1.423 50 0 FDAAMO Cc1c(C)n2c3c(nc2n1CC[N@@H+]1CCC[C@@H](C)C1)n(C)c(=O)n(C)c3=O ZINC000010233882 204000680 /nfs/dbraw/zinc/00/06/80/204000680.db2.gz QKRGWAFYKBIWCS-GFCCVEGCSA-N 1 1 372.473 1.035 50 0 FDAAMO CC1=[NH+]N(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005147998 204194144 /nfs/dbraw/zinc/19/41/44/204194144.db2.gz UHADYONLPGEGAH-GFCCVEGCSA-N 1 1 352.398 1.391 50 0 FDAAMO CCOC(=O)c1cnc2ccc(OC)cc2c1NCCC[NH+]1CCOCC1 ZINC000005958574 204232272 /nfs/dbraw/zinc/23/22/72/204232272.db2.gz GENIJMPUCADACI-UHFFFAOYSA-N 1 1 373.453 1.976 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000008429262 204330908 /nfs/dbraw/zinc/33/09/08/204330908.db2.gz OSDSBJFOIPUEAU-UHFFFAOYSA-N 1 1 371.890 1.558 50 0 FDAAMO Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)N3CC[NH+](C)CC3)no2)cc1 ZINC000036002360 205000773 /nfs/dbraw/zinc/00/07/73/205000773.db2.gz KSBNZUOIYSPJSE-AWEZNQCLSA-N 1 1 356.426 1.542 50 0 FDAAMO O=C([C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCOCC1 ZINC000036249976 205008277 /nfs/dbraw/zinc/00/82/77/205008277.db2.gz UYMCLNNNUNWCAK-GOSISDBHSA-N 1 1 363.502 1.348 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnn(C)c2)C[C@@H]1CCO ZINC000039371958 205043911 /nfs/dbraw/zinc/04/39/11/205043911.db2.gz NMOPSIHJCXFSCA-IBGZPJMESA-N 1 1 358.486 1.888 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cnn(C)c2)C[C@@H]1CCO ZINC000039371958 205043914 /nfs/dbraw/zinc/04/39/14/205043914.db2.gz NMOPSIHJCXFSCA-IBGZPJMESA-N 1 1 358.486 1.888 50 0 FDAAMO CCCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046140879 205133579 /nfs/dbraw/zinc/13/35/79/205133579.db2.gz OKSAZEFKXLMEEA-UHFFFAOYSA-N 1 1 373.544 1.616 50 0 FDAAMO COc1cccc(COCC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000046745312 205138693 /nfs/dbraw/zinc/13/86/93/205138693.db2.gz FPRIYJDLOXJUIT-ARFHVFGLSA-N 1 1 350.459 1.826 50 0 FDAAMO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000046954865 205141620 /nfs/dbraw/zinc/14/16/20/205141620.db2.gz QHRUMXOEIMZRML-IXDOHACOSA-N 1 1 358.486 1.667 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H](C)NC(=O)c2ccoc2)ccn1 ZINC000048314784 205158521 /nfs/dbraw/zinc/15/85/21/205158521.db2.gz JPDUPAIVHRMVOH-LBPRGKRZSA-N 1 1 353.382 1.603 50 0 FDAAMO CC(C)N(C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000052833516 205186512 /nfs/dbraw/zinc/18/65/12/205186512.db2.gz WHFWXACGQVBVPW-ZDUSSCGKSA-N 1 1 356.467 1.539 50 0 FDAAMO CC(C)N(C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000052833516 205186514 /nfs/dbraw/zinc/18/65/14/205186514.db2.gz WHFWXACGQVBVPW-ZDUSSCGKSA-N 1 1 356.467 1.539 50 0 FDAAMO Cn1c(N)c(C(=O)C[N@H+](C)Cc2ccc3ccccc3c2)c(=O)n(C)c1=O ZINC000057523412 205242701 /nfs/dbraw/zinc/24/27/01/205242701.db2.gz HTLRQHPQMPQWRX-UHFFFAOYSA-N 1 1 366.421 1.134 50 0 FDAAMO Cn1c(N)c(C(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)c(=O)n(C)c1=O ZINC000057523412 205242704 /nfs/dbraw/zinc/24/27/04/205242704.db2.gz HTLRQHPQMPQWRX-UHFFFAOYSA-N 1 1 366.421 1.134 50 0 FDAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000057801450 205244092 /nfs/dbraw/zinc/24/40/92/205244092.db2.gz XYLZHHNHHIZDEB-AWEZNQCLSA-N 1 1 352.394 1.829 50 0 FDAAMO Cc1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(O)c1C ZINC000058226976 205265786 /nfs/dbraw/zinc/26/57/86/205265786.db2.gz HVLAEQLCHAWHBA-UHFFFAOYSA-N 1 1 359.470 1.635 50 0 FDAAMO Cc1ccc([C@@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000058264604 205267260 /nfs/dbraw/zinc/26/72/60/205267260.db2.gz MRMRMWUUXVXFFZ-JKSUJKDBSA-N 1 1 370.540 1.634 50 0 FDAAMO CCC[NH+]1CCN(C(=O)c2nccnc2NC(=O)c2ccccc2)CC1 ZINC000065228673 205325169 /nfs/dbraw/zinc/32/51/69/205325169.db2.gz GHQZLISJNSJTML-UHFFFAOYSA-N 1 1 353.426 1.897 50 0 FDAAMO CCn1ncnc1[C@H]1CC(=O)Nc2cc(NC(=O)C[NH+]3CCCC3)ccc21 ZINC000065454255 205351827 /nfs/dbraw/zinc/35/18/27/205351827.db2.gz YCWKROICEWWOAR-HNNXBMFYSA-N 1 1 368.441 1.806 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2cc(F)ccc2F)cc(N(C)C)[nH+]1 ZINC000065362750 205338467 /nfs/dbraw/zinc/33/84/67/205338467.db2.gz CUDMKTXGMOLBBC-UHFFFAOYSA-N 1 1 371.413 1.520 50 0 FDAAMO Cc1ccc(NC(=O)CNc2nc(N3CCC[C@@H](O)C3)cc[nH+]2)c(F)c1 ZINC000065398208 205346059 /nfs/dbraw/zinc/34/60/59/205346059.db2.gz QBDVXVGSMYMTFC-CYBMUJFWSA-N 1 1 359.405 1.936 50 0 FDAAMO Cc1nc(NCCNC(=O)c2cccc(F)c2)cc(N2CCOCC2)[nH+]1 ZINC000067622396 205379092 /nfs/dbraw/zinc/37/90/92/205379092.db2.gz PMVARXCGGUOKSD-UHFFFAOYSA-N 1 1 359.405 1.603 50 0 FDAAMO COC(=O)c1ccccc1C(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067804977 205392436 /nfs/dbraw/zinc/39/24/36/205392436.db2.gz SEYMIJAWZKKDAM-UHFFFAOYSA-N 1 1 359.470 1.715 50 0 FDAAMO COC(=O)c1ccccc1C(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067804977 205392440 /nfs/dbraw/zinc/39/24/40/205392440.db2.gz SEYMIJAWZKKDAM-UHFFFAOYSA-N 1 1 359.470 1.715 50 0 FDAAMO C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000067833604 205394437 /nfs/dbraw/zinc/39/44/37/205394437.db2.gz WQJFPPIVHIECJM-KKUMJFAQSA-N 1 1 353.850 1.464 50 0 FDAAMO Cc1cc(N)n(CC(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)n1 ZINC000092038925 205713018 /nfs/dbraw/zinc/71/30/18/205713018.db2.gz CCYDVYYBIDZSNA-UHFFFAOYSA-N 1 1 371.489 1.435 50 0 FDAAMO COCCNC(=O)c1ccc(NC(=O)N(C)C[C@@]2(C)CC[N@@H+](C)C2)cc1 ZINC000096153230 205838491 /nfs/dbraw/zinc/83/84/91/205838491.db2.gz QLCIWOAZJAVDCD-IBGZPJMESA-N 1 1 362.474 1.868 50 0 FDAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000106136202 206012756 /nfs/dbraw/zinc/01/27/56/206012756.db2.gz WPNCGDFVJWXLAN-KGLIPLIRSA-N 1 1 358.490 1.910 50 0 FDAAMO COCCN1CC[C@@]2(C[N@H+](C3Cc4ccccc4C3)CCN2C)CCC1=O ZINC000107410552 206019395 /nfs/dbraw/zinc/01/93/95/206019395.db2.gz IAVQUQHWENKCCJ-JOCHJYFZSA-N 1 1 371.525 1.799 50 0 FDAAMO COCCN1CC[C@@]2(CN(C3Cc4ccccc4C3)CC[N@@H+]2C)CCC1=O ZINC000107410552 206019399 /nfs/dbraw/zinc/01/93/99/206019399.db2.gz IAVQUQHWENKCCJ-JOCHJYFZSA-N 1 1 371.525 1.799 50 0 FDAAMO COCCN1CC[C@@]2(CN(C3Cc4ccccc4C3)CC[N@H+]2C)CCC1=O ZINC000107410552 206019405 /nfs/dbraw/zinc/01/94/05/206019405.db2.gz IAVQUQHWENKCCJ-JOCHJYFZSA-N 1 1 371.525 1.799 50 0 FDAAMO C[N@H+]1CCN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@]12CCNC(=O)CC2 ZINC000107411265 206020137 /nfs/dbraw/zinc/02/01/37/206020137.db2.gz PMEXCIYXYOUGME-HXUWFJFHSA-N 1 1 371.460 1.798 50 0 FDAAMO C[NH+]1CCN(NC(=O)CCN2C(=O)S/C(=C/c3ccccc3)C2=O)CC1 ZINC000006088353 206201238 /nfs/dbraw/zinc/20/12/38/206201238.db2.gz FACAPRBOQIRIOK-FYWRMAATSA-N 1 1 374.466 1.392 50 0 FDAAMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](C)C1CCCCC1 ZINC000014198336 206309033 /nfs/dbraw/zinc/30/90/33/206309033.db2.gz MUAREIVTPYGOBR-ZDUSSCGKSA-N 1 1 365.499 1.876 50 0 FDAAMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc(Cl)c1OCC(N)=O ZINC000216364093 206358271 /nfs/dbraw/zinc/35/82/71/206358271.db2.gz MOVNAQBMCIQWID-GXTWGEPZSA-N 1 1 353.850 1.349 50 0 FDAAMO CN1CCC[C@]2(CC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)C1=O ZINC000215588775 206346905 /nfs/dbraw/zinc/34/69/05/206346905.db2.gz COKXWDUKNOYDEV-QGZVFWFLSA-N 1 1 350.488 1.424 50 0 FDAAMO CCc1nn(C)c(Cl)c1CN1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000215642728 206350695 /nfs/dbraw/zinc/35/06/95/206350695.db2.gz YPYZNBDLNDGQAM-UHFFFAOYSA-N 1 1 353.898 1.422 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000216068684 206355125 /nfs/dbraw/zinc/35/51/25/206355125.db2.gz MSLXMTVHOZDWOP-HNNXBMFYSA-N 1 1 365.441 1.539 50 0 FDAAMO O=C(COc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1)NC[C@@H]1CCCO1 ZINC000216226104 206355366 /nfs/dbraw/zinc/35/53/66/206355366.db2.gz QOSSCTXQNIKXKJ-SFHVURJKSA-N 1 1 370.453 1.642 50 0 FDAAMO O=C(COc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1)NC[C@@H]1CCCO1 ZINC000216226104 206355371 /nfs/dbraw/zinc/35/53/71/206355371.db2.gz QOSSCTXQNIKXKJ-SFHVURJKSA-N 1 1 370.453 1.642 50 0 FDAAMO CC(C)(CN1CCn2nc([C@@H](O)c3ccccc3)cc2C1)[NH+]1CCOCC1 ZINC000218888785 206375135 /nfs/dbraw/zinc/37/51/35/206375135.db2.gz HABFONATBZRFHA-FQEVSTJZSA-N 1 1 370.497 1.891 50 0 FDAAMO C[N@H+]1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 ZINC000219458387 206384977 /nfs/dbraw/zinc/38/49/77/206384977.db2.gz AVTKMXZJJOAJNJ-YJBOKZPZSA-N 1 1 357.454 1.325 50 0 FDAAMO Cc1nc[nH]c1CN1C[C@H]2C[N@H+](C3Cc4ccccc4C3)C[C@@]2(C(=O)[O-])C1 ZINC000216359957 206358798 /nfs/dbraw/zinc/35/87/98/206358798.db2.gz SXHGPURVGKSMJI-UWJYYQICSA-N 1 1 366.465 1.704 50 0 FDAAMO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058166710 206395653 /nfs/dbraw/zinc/39/56/53/206395653.db2.gz MUWDINCANWTOCR-HNNXBMFYSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1cc(F)cc(F)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058166710 206395657 /nfs/dbraw/zinc/39/56/57/206395657.db2.gz MUWDINCANWTOCR-HNNXBMFYSA-N 1 1 360.426 1.840 50 0 FDAAMO COCCNc1nc2cc(C(=O)N(C)CCn3cc[nH+]c3C)ccc2n1C ZINC000220108674 206398088 /nfs/dbraw/zinc/39/80/88/206398088.db2.gz ZISDNHIZVXUJQE-UHFFFAOYSA-N 1 1 370.457 1.909 50 0 FDAAMO COc1cccc(CO[C@@H](C)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000221932409 206410884 /nfs/dbraw/zinc/41/08/84/206410884.db2.gz JJZSFMWOGRFWCI-HOTGVXAUSA-N 1 1 350.459 1.515 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000286165017 183002934 /nfs/dbraw/zinc/00/29/34/183002934.db2.gz YFFYCECIWPHTEP-TZMCWYRMSA-N 1 1 354.472 1.745 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000286165017 183002936 /nfs/dbraw/zinc/00/29/36/183002936.db2.gz YFFYCECIWPHTEP-TZMCWYRMSA-N 1 1 354.472 1.745 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3c(C)nc4ccccn43)C2)[nH+]c(N)n1 ZINC000244900073 206561074 /nfs/dbraw/zinc/56/10/74/206561074.db2.gz ZVOAKKYNYOUWDS-TXEJJXNPSA-N 1 1 351.414 1.733 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1ncc(C)c(N(C)C)n1)CC2 ZINC000091736215 132203491 /nfs/dbraw/zinc/20/34/91/132203491.db2.gz HWUWRGZHEAMAFR-UHFFFAOYSA-N 1 1 355.490 1.948 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)n1 ZINC000106952339 132266227 /nfs/dbraw/zinc/26/62/27/132266227.db2.gz PNIWJLSSYIJRBW-MRXNPFEDSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1cccc(C[N@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)n1 ZINC000106952339 132266228 /nfs/dbraw/zinc/26/62/28/132266228.db2.gz PNIWJLSSYIJRBW-MRXNPFEDSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1cnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc1N ZINC000071768062 136140874 /nfs/dbraw/zinc/14/08/74/136140874.db2.gz MURJBMOZGMZWHR-INIZCTEOSA-N 1 1 372.517 1.670 50 0 FDAAMO O=C(Nc1ccccc1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072115991 136142030 /nfs/dbraw/zinc/14/20/30/136142030.db2.gz NBTPQACOMFDSBD-UHFFFAOYSA-N 1 1 368.441 1.667 50 0 FDAAMO Cc1nnc(CN(C)CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1C ZINC000131802187 173213983 /nfs/dbraw/zinc/21/39/83/173213983.db2.gz QNHUATPEXXQTRY-QGZVFWFLSA-N 1 1 356.474 1.071 50 0 FDAAMO Cc1nnc(CN(C)CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1C ZINC000131802187 173213986 /nfs/dbraw/zinc/21/39/86/173213986.db2.gz QNHUATPEXXQTRY-QGZVFWFLSA-N 1 1 356.474 1.071 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnc(N)nc2)C[C@H]1CCO ZINC000104636872 222359920 /nfs/dbraw/zinc/35/99/20/222359920.db2.gz GNWUSKXMMJSBNF-GOSISDBHSA-N 1 1 371.485 1.526 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cnc(N)nc2)C[C@H]1CCO ZINC000104636872 222359922 /nfs/dbraw/zinc/35/99/22/222359922.db2.gz GNWUSKXMMJSBNF-GOSISDBHSA-N 1 1 371.485 1.526 50 0 FDAAMO CN1CCN(c2cc(N3CC[NH+](Cc4cccs4)CC3)ncn2)CC1=O ZINC000302263451 259041340 /nfs/dbraw/zinc/04/13/40/259041340.db2.gz DXJWWUFSEVZKIQ-UHFFFAOYSA-N 1 1 372.498 1.139 50 0 FDAAMO CCc1cc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nc(C)[nH+]1 ZINC000329304659 259089596 /nfs/dbraw/zinc/08/95/96/259089596.db2.gz OKVMPPHSOFMTPI-UHFFFAOYSA-N 1 1 367.500 1.623 50 0 FDAAMO C[C@@H](C(=O)N[C@@H](CO)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1 ZINC000331074538 259175021 /nfs/dbraw/zinc/17/50/21/259175021.db2.gz KUGYFEPDJAFDQW-FZMZJTMJSA-N 1 1 360.285 1.779 50 0 FDAAMO CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000367286193 260021518 /nfs/dbraw/zinc/02/15/18/260021518.db2.gz JKLHDOPZMXJQEQ-GFCCVEGCSA-N 1 1 366.817 1.813 50 0 FDAAMO COC1(C(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)CCOCC1 ZINC000375042739 261254774 /nfs/dbraw/zinc/25/47/74/261254774.db2.gz MPCGIAMDSSKLME-UHFFFAOYSA-N 1 1 367.515 1.975 50 0 FDAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000426545192 263628474 /nfs/dbraw/zinc/62/84/74/263628474.db2.gz YWSGTTMDLISIDD-INIZCTEOSA-N 1 1 365.499 1.224 50 0 FDAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000426545192 263628476 /nfs/dbraw/zinc/62/84/76/263628476.db2.gz YWSGTTMDLISIDD-INIZCTEOSA-N 1 1 365.499 1.224 50 0 FDAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008394538 518474474 /nfs/dbraw/zinc/47/44/74/518474474.db2.gz DDJKCXJAXPREFU-NSHDSACASA-N 1 1 374.470 1.597 50 0 FDAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000008746437 518486220 /nfs/dbraw/zinc/48/62/20/518486220.db2.gz VVBQOUDKUGJYIZ-GDBMZVCRSA-N 1 1 365.499 1.781 50 0 FDAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)cc1 ZINC000012039321 518583374 /nfs/dbraw/zinc/58/33/74/518583374.db2.gz UNXMTVXORQHUFT-GOSISDBHSA-N 1 1 371.485 1.961 50 0 FDAAMO CSCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012572192 518622429 /nfs/dbraw/zinc/62/24/29/518622429.db2.gz IJOSLOPTYSOYOJ-CQSZACIVSA-N 1 1 353.532 1.721 50 0 FDAAMO Cn1cccc1C(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012799949 518634942 /nfs/dbraw/zinc/63/49/42/518634942.db2.gz JSHKGKVXHYMBBE-HNNXBMFYSA-N 1 1 369.421 1.890 50 0 FDAAMO Cn1cccc1C(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012799949 518634947 /nfs/dbraw/zinc/63/49/47/518634947.db2.gz JSHKGKVXHYMBBE-HNNXBMFYSA-N 1 1 369.421 1.890 50 0 FDAAMO COc1ccccc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012926526 518643272 /nfs/dbraw/zinc/64/32/72/518643272.db2.gz RRWGJTJDWKLZTI-UHFFFAOYSA-N 1 1 367.449 1.769 50 0 FDAAMO CC[N@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1 ZINC000014122527 518675861 /nfs/dbraw/zinc/67/58/61/518675861.db2.gz HQHVFZFOZIRSQM-UHFFFAOYSA-N 1 1 358.442 1.794 50 0 FDAAMO CC[N@@H+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1 ZINC000014122527 518675867 /nfs/dbraw/zinc/67/58/67/518675867.db2.gz HQHVFZFOZIRSQM-UHFFFAOYSA-N 1 1 358.442 1.794 50 0 FDAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]Cc1ncc[nH]1 ZINC000015080337 518708933 /nfs/dbraw/zinc/70/89/33/518708933.db2.gz LGGZWOQRKSJCRV-KRWDZBQOSA-N 1 1 350.369 1.331 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21c2ccccc2NC1=O ZINC000016024942 518740861 /nfs/dbraw/zinc/74/08/61/518740861.db2.gz SSOWHLNZRXPOGA-ZOZBEKFXSA-N 1 1 353.422 1.712 50 0 FDAAMO Cn1ncc(N2CCN(C3CC[NH+](Cc4ccco4)CC3)CC2)cc1=O ZINC000019770844 518835152 /nfs/dbraw/zinc/83/51/52/518835152.db2.gz DYDUXJZZIRLARA-UHFFFAOYSA-N 1 1 357.458 1.160 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1 ZINC000019991869 518841677 /nfs/dbraw/zinc/84/16/77/518841677.db2.gz PQUZWKDRWHRTDI-UHFFFAOYSA-N 1 1 353.488 1.397 50 0 FDAAMO CC(C)(C)OC[C@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000021364652 518873087 /nfs/dbraw/zinc/87/30/87/518873087.db2.gz TWFSWHWTDMUFAP-QZTJIDSGSA-N 1 1 364.486 1.473 50 0 FDAAMO Cc1cc(C)cc(-n2ncc3c2ncnc3N2CC[NH+](CCO)CC2)c1 ZINC000022699186 518907940 /nfs/dbraw/zinc/90/79/40/518907940.db2.gz WBSFPWSZEUSMME-UHFFFAOYSA-N 1 1 352.442 1.547 50 0 FDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000023641547 518959622 /nfs/dbraw/zinc/95/96/22/518959622.db2.gz GNEWSPYSONMUCO-HNNXBMFYSA-N 1 1 363.458 1.745 50 0 FDAAMO CCCC1N=NC(=S)N1CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024622460 519000309 /nfs/dbraw/zinc/00/03/09/519000309.db2.gz CIDBUQXCRQQFRW-UHFFFAOYSA-N 1 1 373.526 1.906 50 0 FDAAMO NC(=O)NCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025436650 519062444 /nfs/dbraw/zinc/06/24/44/519062444.db2.gz XAKXTTOGHLFIDD-UHFFFAOYSA-N 1 1 352.438 1.589 50 0 FDAAMO CNC(=O)c1ccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000026301656 519114408 /nfs/dbraw/zinc/11/44/08/519114408.db2.gz DDENGNHOQLRVJG-QGZVFWFLSA-N 1 1 362.474 1.202 50 0 FDAAMO CC(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000032845444 519546170 /nfs/dbraw/zinc/54/61/70/519546170.db2.gz JWXZYJBYCAFKSN-UHFFFAOYSA-N 1 1 359.470 1.394 50 0 FDAAMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccn(C)c(=O)c1 ZINC000032937648 519554163 /nfs/dbraw/zinc/55/41/63/519554163.db2.gz DZWIZFYTUAKLHT-UHFFFAOYSA-N 1 1 356.426 1.804 50 0 FDAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N1c2ccccc2CCCC1=O ZINC000033249642 519583086 /nfs/dbraw/zinc/58/30/86/519583086.db2.gz ASFGCFPNMMYCFW-MRXNPFEDSA-N 1 1 359.470 1.583 50 0 FDAAMO COCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)CC1 ZINC000034918054 519599701 /nfs/dbraw/zinc/59/97/01/519599701.db2.gz UOFUJPDNOCJIDC-KRWDZBQOSA-N 1 1 359.470 1.447 50 0 FDAAMO CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)[NH+]1CCOCC1 ZINC000040040750 519639071 /nfs/dbraw/zinc/63/90/71/519639071.db2.gz REVFDQKUOPTLCK-QGZVFWFLSA-N 1 1 372.469 1.329 50 0 FDAAMO CCCc1oncc1C(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091690424 521612031 /nfs/dbraw/zinc/61/20/31/521612031.db2.gz HURFRQGDWIZBIE-CABCVRRESA-N 1 1 351.447 1.030 50 0 FDAAMO Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000069810840 521957551 /nfs/dbraw/zinc/95/75/51/521957551.db2.gz PRLPFVCWZHEEBS-CYBMUJFWSA-N 1 1 355.442 1.425 50 0 FDAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)c1 ZINC000071439491 522114218 /nfs/dbraw/zinc/11/42/18/522114218.db2.gz ZKATWVSVJJDXAI-OAHLLOKOSA-N 1 1 371.437 1.945 50 0 FDAAMO Cc1nnnn1CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071614742 522117088 /nfs/dbraw/zinc/11/70/88/522117088.db2.gz UDWNKHDGAXGGSP-SFHVURJKSA-N 1 1 374.464 1.880 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ncccn3)CC2)C1)N1CCCC1 ZINC000071757325 522126828 /nfs/dbraw/zinc/12/68/28/522126828.db2.gz NYONNRAWACDJIS-QGZVFWFLSA-N 1 1 357.502 1.775 50 0 FDAAMO CCN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071762285 522129183 /nfs/dbraw/zinc/12/91/83/522129183.db2.gz ABYDETPMLUIKHD-IBGZPJMESA-N 1 1 374.529 1.599 50 0 FDAAMO CN(Cc1ncc[nH]1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071767706 522129332 /nfs/dbraw/zinc/12/93/32/522129332.db2.gz OTHQRBLHGMRPTE-MRXNPFEDSA-N 1 1 373.501 1.481 50 0 FDAAMO NC(=O)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071761327 522130461 /nfs/dbraw/zinc/13/04/61/522130461.db2.gz RQEIKOBGTKXCLU-GOSISDBHSA-N 1 1 372.513 1.355 50 0 FDAAMO O=C([C@H]1CN(Cc2c(Cl)ccc(O)c2Cl)CC[NH2+]1)N1CCOCC1 ZINC000071762488 522130710 /nfs/dbraw/zinc/13/07/10/522130710.db2.gz UJEVWIXGZCNGGC-CYBMUJFWSA-N 1 1 374.268 1.332 50 0 FDAAMO CCc1[nH]c2ccc(CNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)cc2c1C ZINC000071775810 522132506 /nfs/dbraw/zinc/13/25/06/522132506.db2.gz SOPDPMRGCRVUKU-HNNXBMFYSA-N 1 1 356.470 1.852 50 0 FDAAMO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000071972330 522143421 /nfs/dbraw/zinc/14/34/21/522143421.db2.gz GVCVNFMINCMWFH-CYBMUJFWSA-N 1 1 362.517 1.489 50 0 FDAAMO Cn1ccnc1CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C)C1CC1 ZINC000072125318 522155545 /nfs/dbraw/zinc/15/55/45/522155545.db2.gz IABIAMNZALPJCU-HNNXBMFYSA-N 1 1 361.490 1.148 50 0 FDAAMO Cn1ccnc1CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C)C1CC1 ZINC000072125318 522155555 /nfs/dbraw/zinc/15/55/55/522155555.db2.gz IABIAMNZALPJCU-HNNXBMFYSA-N 1 1 361.490 1.148 50 0 FDAAMO COCCc1noc([C@H]2CCC[N@@H+](CC(C)(C)CN3CCOCC3)C2)n1 ZINC000072129483 522159697 /nfs/dbraw/zinc/15/96/97/522159697.db2.gz CHPSCRXIPCCZGA-INIZCTEOSA-N 1 1 366.506 1.796 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000072133395 522161369 /nfs/dbraw/zinc/16/13/69/522161369.db2.gz VZMJNUIWIOJAFO-GOSISDBHSA-N 1 1 358.486 1.809 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1cccnc1)C1CC1 ZINC000072133395 522161377 /nfs/dbraw/zinc/16/13/77/522161377.db2.gz VZMJNUIWIOJAFO-GOSISDBHSA-N 1 1 358.486 1.809 50 0 FDAAMO CCOC(=O)CCNC(=O)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072140199 522166712 /nfs/dbraw/zinc/16/67/12/522166712.db2.gz FYQPUXAGPJKNKU-QGZVFWFLSA-N 1 1 359.470 1.871 50 0 FDAAMO CCCn1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(C)nc2)c(C)n1 ZINC000072144945 522169947 /nfs/dbraw/zinc/16/99/47/522169947.db2.gz XIQNNRODTXOWKI-QGZVFWFLSA-N 1 1 370.457 1.358 50 0 FDAAMO NC(=O)NCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072143854 522169980 /nfs/dbraw/zinc/16/99/80/522169980.db2.gz BEBOZYFPJYKROQ-DJIMGWMZSA-N 1 1 364.396 1.022 50 0 FDAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC(O)C2)Cc2ccccc2C1 ZINC000072145205 522170250 /nfs/dbraw/zinc/17/02/50/522170250.db2.gz WCLILDVZJJQBQM-UHFFFAOYSA-N 1 1 350.462 1.902 50 0 FDAAMO NC(=O)NCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072146666 522172191 /nfs/dbraw/zinc/17/21/91/522172191.db2.gz BEBOZYFPJYKROQ-USXIJHARSA-N 1 1 364.396 1.022 50 0 FDAAMO COc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC(C)C)c1OC ZINC000072147265 522173924 /nfs/dbraw/zinc/17/39/24/522173924.db2.gz MVCGJZLFZFJEQW-HNNXBMFYSA-N 1 1 363.458 1.167 50 0 FDAAMO NC(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000072150725 522177800 /nfs/dbraw/zinc/17/78/00/522177800.db2.gz MLGXORKKZGVRJC-HXUWFJFHSA-N 1 1 358.486 1.602 50 0 FDAAMO CCc1n[nH]c2c1CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CCC(C)C)CC2 ZINC000072171193 522200626 /nfs/dbraw/zinc/20/06/26/522200626.db2.gz HGPNPWAITANYTK-KRWDZBQOSA-N 1 1 361.490 1.093 50 0 FDAAMO CCc1n[nH]c2c1CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)C)CC2 ZINC000072171193 522200635 /nfs/dbraw/zinc/20/06/35/522200635.db2.gz HGPNPWAITANYTK-KRWDZBQOSA-N 1 1 361.490 1.093 50 0 FDAAMO C[NH+]1CCN(Cc2noc(-c3cn(C/C=C/c4ccccc4)nn3)n2)CC1 ZINC000072174131 522203163 /nfs/dbraw/zinc/20/31/63/522203163.db2.gz UDJAZEPLVQWIIN-VMPITWQZSA-N 1 1 365.441 1.789 50 0 FDAAMO COc1ccc(O)cc1C[N@@H+]1CC[C@@H](CNC(=O)N2CCCC2)[C@H](O)C1 ZINC000072448452 522283357 /nfs/dbraw/zinc/28/33/57/522283357.db2.gz JWHUFVSPEKKGDR-WMLDXEAASA-N 1 1 363.458 1.389 50 0 FDAAMO COc1ccc(O)cc1C[N@H+]1CC[C@@H](CNC(=O)N2CCCC2)[C@H](O)C1 ZINC000072448452 522283370 /nfs/dbraw/zinc/28/33/70/522283370.db2.gz JWHUFVSPEKKGDR-WMLDXEAASA-N 1 1 363.458 1.389 50 0 FDAAMO CC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)c1cnc3c(c1)ncn3C)C2 ZINC000072480750 522306363 /nfs/dbraw/zinc/30/63/63/522306363.db2.gz UJVGOZZEABNCDC-UHFFFAOYSA-N 1 1 353.430 1.273 50 0 FDAAMO CC[N@@H+](C)Cc1cc2n(n1)CCN(C(=O)c1cnc3c(c1)ncn3C)C2 ZINC000072480750 522306371 /nfs/dbraw/zinc/30/63/71/522306371.db2.gz UJVGOZZEABNCDC-UHFFFAOYSA-N 1 1 353.430 1.273 50 0 FDAAMO COc1cc(C[N@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091440965 522403953 /nfs/dbraw/zinc/40/39/53/522403953.db2.gz GQQNWHIYYBEULQ-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1cc(CN2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091440965 522403966 /nfs/dbraw/zinc/40/39/66/522403966.db2.gz GQQNWHIYYBEULQ-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1cc(CN2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091440965 522403977 /nfs/dbraw/zinc/40/39/77/522403977.db2.gz GQQNWHIYYBEULQ-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COC(=O)c1ccc(C[NH+]2CCN(c3cnn4cnnc4c3)CC2)cc1 ZINC000065282480 522802704 /nfs/dbraw/zinc/80/27/04/522802704.db2.gz GRFDBONOCMPHKO-UHFFFAOYSA-N 1 1 352.398 1.233 50 0 FDAAMO COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCCCC[N@H+]2C)CC1 ZINC000077342001 523301088 /nfs/dbraw/zinc/30/10/88/523301088.db2.gz QBRPTHYCAVMTAY-KRWDZBQOSA-N 1 1 359.470 1.854 50 0 FDAAMO COCCN1C[C@]2(CCCN(C(=O)CCn3cc[nH+]c3C)C2)CCC1=O ZINC000077376101 523310345 /nfs/dbraw/zinc/31/03/45/523310345.db2.gz OFDNPRFZHOJSPG-LJQANCHMSA-N 1 1 362.474 1.459 50 0 FDAAMO CCC(CC)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]3C1=O ZINC000077540832 523377111 /nfs/dbraw/zinc/37/71/11/523377111.db2.gz QNIISZIIRGJVBZ-LJCCNALRSA-N 1 1 361.486 1.121 50 0 FDAAMO CCC(=O)N1CCC2(CN(CCC[N@@H+]3CC[C@H](N(C)C)C3)C(=O)O2)CC1 ZINC000077539111 523377170 /nfs/dbraw/zinc/37/71/70/523377170.db2.gz UUCWTYWZTHLXFG-INIZCTEOSA-N 1 1 366.506 1.236 50 0 FDAAMO CCC(=O)N1CCC2(CN(CCC[N@H+]3CC[C@H](N(C)C)C3)C(=O)O2)CC1 ZINC000077539111 523377175 /nfs/dbraw/zinc/37/71/75/523377175.db2.gz UUCWTYWZTHLXFG-INIZCTEOSA-N 1 1 366.506 1.236 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccc(C)n3)CC2)C1 ZINC000067934449 523641147 /nfs/dbraw/zinc/64/11/47/523641147.db2.gz PGNUTYVSRJITNK-SFHVURJKSA-N 1 1 374.529 1.829 50 0 FDAAMO Cc1n[nH]c(C)c1CCC(=O)NCc1cccnc1N1CCC[N@H+](C)CC1 ZINC000067946576 523645019 /nfs/dbraw/zinc/64/50/19/523645019.db2.gz RBVQMOSZUCGAHK-UHFFFAOYSA-N 1 1 370.501 1.812 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCN(C)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067954728 523647512 /nfs/dbraw/zinc/64/75/12/523647512.db2.gz SKJHXXDYDROCHH-OAHLLOKOSA-N 1 1 350.463 1.453 50 0 FDAAMO C[C@H](O)CN(C)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067967945 523652082 /nfs/dbraw/zinc/65/20/82/523652082.db2.gz RTHXPQKUWUXHMS-INIZCTEOSA-N 1 1 372.469 1.445 50 0 FDAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1O ZINC000082106706 524029332 /nfs/dbraw/zinc/02/93/32/524029332.db2.gz PEYRQJQJWLFRGI-HXUWFJFHSA-N 1 1 362.470 1.988 50 0 FDAAMO COc1ccc(CNC(=O)C[NH+]2CCC(c3nccn3C)CC2)cc1OC ZINC000091254784 524050121 /nfs/dbraw/zinc/05/01/21/524050121.db2.gz UWBALBDXLOCTPD-UHFFFAOYSA-N 1 1 372.469 1.933 50 0 FDAAMO O=C(NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)c1ccc(=O)[nH]c1 ZINC000082106212 524211199 /nfs/dbraw/zinc/21/11/99/524211199.db2.gz CEBHCZYJVLQZKH-UHFFFAOYSA-N 1 1 355.442 1.650 50 0 FDAAMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000174022975 524506077 /nfs/dbraw/zinc/50/60/77/524506077.db2.gz QCGISLAVSHKYAL-CQSZACIVSA-N 1 1 365.499 1.924 50 0 FDAAMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000089929931 524549103 /nfs/dbraw/zinc/54/91/03/524549103.db2.gz FYIPAPKPWFFYRB-MOPGFXCFSA-N 1 1 350.551 1.735 50 0 FDAAMO O=C(C[C@@H]1COCC[NH2+]1)NCc1cc2n(n1)CCN(C1CCCCC1)C2 ZINC000091326594 524693201 /nfs/dbraw/zinc/69/32/01/524693201.db2.gz FXPNFFJTZFLXDV-MRXNPFEDSA-N 1 1 361.490 1.026 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 ZINC000091424889 524702043 /nfs/dbraw/zinc/70/20/43/524702043.db2.gz FLGGAFKQFBSDDI-AWEZNQCLSA-N 1 1 372.469 1.591 50 0 FDAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000091657078 524753256 /nfs/dbraw/zinc/75/32/56/524753256.db2.gz DLSVKBQHHCLBHE-HNNXBMFYSA-N 1 1 353.488 1.113 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C)n(C)c1=O)C2 ZINC000091657141 524754266 /nfs/dbraw/zinc/75/42/66/524754266.db2.gz KQNZYUHVDIVPFT-JKSUJKDBSA-N 1 1 369.469 1.462 50 0 FDAAMO O=S(=O)(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091665047 524757874 /nfs/dbraw/zinc/75/78/74/524757874.db2.gz GOBUCQYQODETSJ-GOEBONIOSA-N 1 1 351.472 1.346 50 0 FDAAMO CCCCOC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CCOC)CC2 ZINC000091792827 524783032 /nfs/dbraw/zinc/78/30/32/524783032.db2.gz ARWWZTKNDOHNGO-GOSISDBHSA-N 1 1 355.479 1.568 50 0 FDAAMO Cc1nc(N)nc(C)c1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091817503 524792080 /nfs/dbraw/zinc/79/20/80/524792080.db2.gz BNVBYLCVOQODKC-DOTOQJQBSA-N 1 1 373.501 1.320 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)c(C)n1 ZINC000091847454 524798688 /nfs/dbraw/zinc/79/86/88/524798688.db2.gz VYZZKVLPPBQEDV-INIZCTEOSA-N 1 1 368.489 1.964 50 0 FDAAMO CN(C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000091935146 524814399 /nfs/dbraw/zinc/81/43/99/524814399.db2.gz FFENWOGXJOXNME-CYBMUJFWSA-N 1 1 360.389 1.676 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3ccc[nH]3)CC2)n1C ZINC000091931984 524815154 /nfs/dbraw/zinc/81/51/54/524815154.db2.gz QLDABGKSCSMDKQ-UHFFFAOYSA-N 1 1 353.430 1.716 50 0 FDAAMO Cc1nnc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)s1 ZINC000092081328 524846167 /nfs/dbraw/zinc/84/61/67/524846167.db2.gz VVJRZHAMIYYYSW-QGZVFWFLSA-N 1 1 350.488 1.840 50 0 FDAAMO Cc1nnc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)s1 ZINC000092081328 524846178 /nfs/dbraw/zinc/84/61/78/524846178.db2.gz VVJRZHAMIYYYSW-QGZVFWFLSA-N 1 1 350.488 1.840 50 0 FDAAMO CCCOCC(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095357190 525031572 /nfs/dbraw/zinc/03/15/72/525031572.db2.gz IJTSEDOZWORHBX-HNNXBMFYSA-N 1 1 360.462 1.501 50 0 FDAAMO C[C@@H](C(=O)N1CCC(O)(Cn2ccnc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000095358922 525034336 /nfs/dbraw/zinc/03/43/36/525034336.db2.gz TXQHAXKGZMAPJJ-KRWDZBQOSA-N 1 1 368.481 1.683 50 0 FDAAMO Cc1noc(C)c1C(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095381507 525054879 /nfs/dbraw/zinc/05/48/79/525054879.db2.gz JYVKCPPWCRAYOI-NOXHYTERSA-N 1 1 351.447 1.081 50 0 FDAAMO CC[N@@H+](C)C(C)(C)CNC(=O)c1ccc2c(c1)nc(N1CC[C@H](O)C1)n2C ZINC000095383584 525057358 /nfs/dbraw/zinc/05/73/58/525057358.db2.gz VKCFIKLXRCEXRU-HNNXBMFYSA-N 1 1 373.501 1.604 50 0 FDAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCc2nnc(Cc3cccnc3)n2CC1 ZINC000095386927 525061163 /nfs/dbraw/zinc/06/11/63/525061163.db2.gz DNEJTVHEWLLUHY-QGZVFWFLSA-N 1 1 368.485 1.523 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)no1 ZINC000095512552 525095449 /nfs/dbraw/zinc/09/54/49/525095449.db2.gz FBQIAUMOIGCZEM-MRXNPFEDSA-N 1 1 373.457 1.527 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)NCc2ccco2)CC3)C1 ZINC000095518677 525096610 /nfs/dbraw/zinc/09/66/10/525096610.db2.gz YBFLHJNNDBSGQD-INIZCTEOSA-N 1 1 374.485 1.898 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccco2)C[N@H+]1C1CCOCC1 ZINC000096131147 525137863 /nfs/dbraw/zinc/13/78/63/525137863.db2.gz BFIARYUWWRFFOW-ZBFHGGJFSA-N 1 1 363.458 1.500 50 0 FDAAMO COc1cc2cccnc2c(NC(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000096147920 525139929 /nfs/dbraw/zinc/13/99/29/525139929.db2.gz DFGZPYLXSVHKRH-CQSZACIVSA-N 1 1 371.441 1.562 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)cc2)C[N@@H+]1C ZINC000096148661 525141678 /nfs/dbraw/zinc/14/16/78/525141678.db2.gz ZZCYKKWTTREFKO-HKUYNNGSSA-N 1 1 372.513 1.958 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc(N3CCCC3)cc2)C[N@H+]1C ZINC000096148661 525141682 /nfs/dbraw/zinc/14/16/82/525141682.db2.gz ZZCYKKWTTREFKO-HKUYNNGSSA-N 1 1 372.513 1.958 50 0 FDAAMO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CCNC(=O)[C@H]1Cc1cnc[nH]1 ZINC000097600941 525187936 /nfs/dbraw/zinc/18/79/36/525187936.db2.gz VIXONRZRIQEOHA-GOSISDBHSA-N 1 1 373.501 1.324 50 0 FDAAMO NC(=O)N1CCC[C@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000097679718 525190702 /nfs/dbraw/zinc/19/07/02/525190702.db2.gz NAYPOYXRKLYQEZ-IBGZPJMESA-N 1 1 372.513 1.944 50 0 FDAAMO C[NH+]1CCN([C@H]2CC(=O)N(c3cccc(Br)c3)C2=O)CC1 ZINC000100047597 525210850 /nfs/dbraw/zinc/21/08/50/525210850.db2.gz DQBUFJBEPRYPGZ-ZDUSSCGKSA-N 1 1 352.232 1.328 50 0 FDAAMO Cc1cc2ncc(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@H+]3C)c(=O)n2[n-]1 ZINC000102736258 525303395 /nfs/dbraw/zinc/30/33/95/525303395.db2.gz CKZPSDIDUYBGSP-MRXNPFEDSA-N 1 1 365.437 1.460 50 0 FDAAMO Cc1cc2ncc(C(=O)N(C)C[C@H]3Cc4ccccc4CN3C)c(=O)n2[n-]1 ZINC000102736258 525303402 /nfs/dbraw/zinc/30/34/02/525303402.db2.gz CKZPSDIDUYBGSP-MRXNPFEDSA-N 1 1 365.437 1.460 50 0 FDAAMO CSc1ncc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cn1 ZINC000020539206 526221353 /nfs/dbraw/zinc/22/13/53/526221353.db2.gz VMWBXLSOLJTOQS-KRWDZBQOSA-N 1 1 365.547 1.161 50 0 FDAAMO CSc1ncc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)cn1 ZINC000020539206 526221360 /nfs/dbraw/zinc/22/13/60/526221360.db2.gz VMWBXLSOLJTOQS-KRWDZBQOSA-N 1 1 365.547 1.161 50 0 FDAAMO Cc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)o1 ZINC000091536827 526379251 /nfs/dbraw/zinc/37/92/51/526379251.db2.gz GQAKJDKYUTWKCK-DZGCQCFKSA-N 1 1 366.487 1.572 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000091504892 526524832 /nfs/dbraw/zinc/52/48/32/526524832.db2.gz RHFLSNYLYXMXPZ-SFHVURJKSA-N 1 1 370.497 1.907 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000091504892 526524837 /nfs/dbraw/zinc/52/48/37/526524837.db2.gz RHFLSNYLYXMXPZ-SFHVURJKSA-N 1 1 370.497 1.907 50 0 FDAAMO O=C(C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O)NC1CCCCCCC1 ZINC000091321506 526805983 /nfs/dbraw/zinc/80/59/83/526805983.db2.gz BEUUCRPQLGEQHC-HXUWFJFHSA-N 1 1 365.518 1.522 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000091270249 527055959 /nfs/dbraw/zinc/05/59/59/527055959.db2.gz LQAVCAQABKJASW-UHFFFAOYSA-N 1 1 368.529 1.942 50 0 FDAAMO Cn1ccnc1C1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)o2)CC1 ZINC000091441324 527426615 /nfs/dbraw/zinc/42/66/15/527426615.db2.gz GVEZOXUJKCHHQS-UHFFFAOYSA-N 1 1 371.485 1.780 50 0 FDAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000247958691 537159590 /nfs/dbraw/zinc/15/95/90/537159590.db2.gz POLRSWCWPQNOOX-DLBZAZTESA-N 1 1 351.443 1.618 50 0 FDAAMO CO[C@@H]1C(=O)C[C@]23CC[N@H+](C)[C@@]24C[C@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000252497487 537250129 /nfs/dbraw/zinc/25/01/29/537250129.db2.gz QJDYNQYLCIPODD-LJDSDSDDSA-N 1 1 373.405 1.533 50 0 FDAAMO CO[C@@H]1C(=O)C[C@]23CC[N@@H+](C)[C@@]24C[C@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000252497487 537250131 /nfs/dbraw/zinc/25/01/31/537250131.db2.gz QJDYNQYLCIPODD-LJDSDSDDSA-N 1 1 373.405 1.533 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223098286 537516175 /nfs/dbraw/zinc/51/61/75/537516175.db2.gz UYMAKOOTUUPQQT-QYGXFBIXSA-N 1 1 369.465 1.885 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@@H](c2nnc(CO)n2C2CC2)C1 ZINC000223335342 537523996 /nfs/dbraw/zinc/52/39/96/537523996.db2.gz JWXGKFDPYQTEBD-HDJSIYSDSA-N 1 1 358.446 1.453 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000227035583 537569605 /nfs/dbraw/zinc/56/96/05/537569605.db2.gz XTWMPYDVSJKONX-YYQBIWNASA-N 1 1 371.412 1.851 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000227035583 537569611 /nfs/dbraw/zinc/56/96/11/537569611.db2.gz XTWMPYDVSJKONX-YYQBIWNASA-N 1 1 371.412 1.851 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCNC(=O)c2ccccc2)C[C@H](C)O1 ZINC000229653614 537575663 /nfs/dbraw/zinc/57/56/63/537575663.db2.gz PNDYEOBZRSJCGZ-ZIFCJYIRSA-N 1 1 373.497 1.907 50 0 FDAAMO CS(=O)(=O)Nc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000299774574 537594993 /nfs/dbraw/zinc/59/49/93/537594993.db2.gz HHCUXPNGQQDOQN-OAHLLOKOSA-N 1 1 370.475 1.026 50 0 FDAAMO O[C@H]1CN(CCN2CCN(Cc3ccccc3)CC2)C[C@@H]1[NH+]1CCCCC1 ZINC000244690840 537649953 /nfs/dbraw/zinc/64/99/53/537649953.db2.gz IXXSOOKRANAAOT-VXKWHMMOSA-N 1 1 372.557 1.335 50 0 FDAAMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)C3CCC3)CC2)cc1 ZINC000244678796 537650026 /nfs/dbraw/zinc/65/00/26/537650026.db2.gz IKNIADDMMHWWCJ-UHFFFAOYSA-N 1 1 372.469 1.449 50 0 FDAAMO O[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1Nc1ncccn1 ZINC000426674027 538121327 /nfs/dbraw/zinc/12/13/27/538121327.db2.gz JLTAMZTZYRKTMA-QZTJIDSGSA-N 1 1 350.426 1.710 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1Nc1ncccn1 ZINC000426674027 538121333 /nfs/dbraw/zinc/12/13/33/538121333.db2.gz JLTAMZTZYRKTMA-QZTJIDSGSA-N 1 1 350.426 1.710 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 ZINC000584907096 551567981 /nfs/dbraw/zinc/56/79/81/551567981.db2.gz OIJUVWOYAYSCNT-HNNXBMFYSA-N 1 1 357.458 1.829 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)n1 ZINC000613508304 554933238 /nfs/dbraw/zinc/93/32/38/554933238.db2.gz AVAZWOASSLNHGA-QGZVFWFLSA-N 1 1 371.485 1.045 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)n1 ZINC000613508304 554933239 /nfs/dbraw/zinc/93/32/39/554933239.db2.gz AVAZWOASSLNHGA-QGZVFWFLSA-N 1 1 371.485 1.045 50 0 FDAAMO Cc1cc(=O)c2cccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)c2[nH]1 ZINC000426411151 570449923 /nfs/dbraw/zinc/44/99/23/570449923.db2.gz BMUQZYVVRAZTGU-ZDUSSCGKSA-N 1 1 356.426 1.176 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263617129 571046836 /nfs/dbraw/zinc/04/68/36/571046836.db2.gz MEEUQRMJCUDTOB-QGZVFWFLSA-N 1 1 355.442 1.716 50 0 FDAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)[nH]1 ZINC000243885849 571112009 /nfs/dbraw/zinc/11/20/09/571112009.db2.gz ACUXSYFHMOHRSX-CQSZACIVSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n1 ZINC000243885849 571112010 /nfs/dbraw/zinc/11/20/10/571112010.db2.gz ACUXSYFHMOHRSX-CQSZACIVSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n1 ZINC000243885849 571112011 /nfs/dbraw/zinc/11/20/11/571112011.db2.gz ACUXSYFHMOHRSX-CQSZACIVSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n[nH]1 ZINC000243885849 571112012 /nfs/dbraw/zinc/11/20/12/571112012.db2.gz ACUXSYFHMOHRSX-CQSZACIVSA-N 1 1 356.430 1.420 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)n[nH]1 ZINC000243885849 571112013 /nfs/dbraw/zinc/11/20/13/571112013.db2.gz ACUXSYFHMOHRSX-CQSZACIVSA-N 1 1 356.430 1.420 50 0 FDAAMO CS(=O)(=O)NC1CCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000244875009 571118747 /nfs/dbraw/zinc/11/87/47/571118747.db2.gz XLAFCXUPGBDGIM-GOSISDBHSA-N 1 1 351.516 1.665 50 0 FDAAMO CN(Cc1cc(C2CC2)n[nH]1)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426641402 571128894 /nfs/dbraw/zinc/12/88/94/571128894.db2.gz QYXLULOCYMXDBW-CYBMUJFWSA-N 1 1 358.446 1.622 50 0 FDAAMO Cc1ccc(F)cc1CNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426531550 571132698 /nfs/dbraw/zinc/13/26/98/571132698.db2.gz HQWSVUIYCUXKHX-CYBMUJFWSA-N 1 1 358.417 2.221 50 0 FDAAMO Cc1ccc(F)cc1CNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426531551 571132711 /nfs/dbraw/zinc/13/27/11/571132711.db2.gz HQWSVUIYCUXKHX-ZDUSSCGKSA-N 1 1 358.417 2.221 50 0 FDAAMO COc1ccc(CN(C)c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)cc1 ZINC000426414440 571133573 /nfs/dbraw/zinc/13/35/73/571133573.db2.gz PYCUVJRRHNUEGK-HNNXBMFYSA-N 1 1 358.442 2.030 50 0 FDAAMO O=C1NCC2(CCN(C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)O1 ZINC000299759112 571192889 /nfs/dbraw/zinc/19/28/89/571192889.db2.gz OCLOKAKCJIGNLI-GOSISDBHSA-N 1 1 359.470 1.852 50 0 FDAAMO O=C1NCC2(CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)O1 ZINC000299759112 571192891 /nfs/dbraw/zinc/19/28/91/571192891.db2.gz OCLOKAKCJIGNLI-GOSISDBHSA-N 1 1 359.470 1.852 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3[nH]cc(C)c(=O)c3C)C[C@H]2O)no1 ZINC000299780246 571198007 /nfs/dbraw/zinc/19/80/07/571198007.db2.gz UFXLPXCBQDYYQR-CZUORRHYSA-N 1 1 360.414 1.066 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3[nH]cc(C)c(=O)c3C)C[C@H]2O)no1 ZINC000299780246 571198008 /nfs/dbraw/zinc/19/80/08/571198008.db2.gz UFXLPXCBQDYYQR-CZUORRHYSA-N 1 1 360.414 1.066 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000299796672 571202044 /nfs/dbraw/zinc/20/20/44/571202044.db2.gz OGDGFSYABWSNJV-AWEZNQCLSA-N 1 1 356.430 1.191 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccn2)[C@H](O)C1 ZINC000426361287 571215501 /nfs/dbraw/zinc/21/55/01/571215501.db2.gz NCPAZAQPZDGLRM-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCc2ccccn2)[C@H](O)C1 ZINC000426361287 571215502 /nfs/dbraw/zinc/21/55/02/571215502.db2.gz NCPAZAQPZDGLRM-QZTJIDSGSA-N 1 1 358.442 1.371 50 0 FDAAMO O=C(CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1)Nc1cccnc1 ZINC000426420143 571222831 /nfs/dbraw/zinc/22/28/31/571222831.db2.gz OTYBZRBXWXKZDI-QZTJIDSGSA-N 1 1 368.437 1.275 50 0 FDAAMO CN(Cc1nncn1C)C(=O)NCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000426429843 571224622 /nfs/dbraw/zinc/22/46/22/571224622.db2.gz QRBNSLFIDPWMCZ-QGZVFWFLSA-N 1 1 356.474 1.836 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3cncnc3)cc2)C1 ZINC000426442026 571225436 /nfs/dbraw/zinc/22/54/36/571225436.db2.gz UTBQETHBZIMOCR-KRWDZBQOSA-N 1 1 367.453 1.461 50 0 FDAAMO CC(C)c1cc(CNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)no1 ZINC000426470866 571226843 /nfs/dbraw/zinc/22/68/43/571226843.db2.gz SGRXABMIMKMHBL-HNNXBMFYSA-N 1 1 369.487 1.313 50 0 FDAAMO OCCNc1nc(NCc2ccc(F)cc2Cl)cc([C@H]2CCOC2)[nH+]1 ZINC000426545494 571231301 /nfs/dbraw/zinc/23/13/01/571231301.db2.gz VSBJTLDAKIIRKT-LBPRGKRZSA-N 1 1 366.824 1.633 50 0 FDAAMO COc1nc2ccccc2nc1CCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1OC ZINC000426711979 571236287 /nfs/dbraw/zinc/23/62/87/571236287.db2.gz DJLCQXQWUWDUJM-ROUUACIJSA-N 1 1 372.469 1.795 50 0 FDAAMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[C@@]1(O)CCCOC1 ZINC000585091639 571320360 /nfs/dbraw/zinc/32/03/60/571320360.db2.gz CQAQFHJQWYFECQ-VQTJNVASSA-N 1 1 373.453 1.115 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000046861144 671016735 /nfs/dbraw/zinc/01/67/35/671016735.db2.gz FYOZWPNAKACCJG-ZDUSSCGKSA-N 1 1 350.488 1.803 50 0 FDAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568937 675436681 /nfs/dbraw/zinc/43/66/81/675436681.db2.gz OUSHVNCMRLWBHC-OLZOCXBDSA-N 1 1 366.767 1.839 50 0 FDAAMO C[N@H+]1CCO[C@H](C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568937 675436682 /nfs/dbraw/zinc/43/66/82/675436682.db2.gz OUSHVNCMRLWBHC-OLZOCXBDSA-N 1 1 366.767 1.839 50 0 FDAAMO Cc1nn(C)cc1CN(C)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCCC2)[NH2+]1 ZINC000675017599 795222750 /nfs/dbraw/zinc/22/27/50/795222750.db2.gz NNBDGXSQDBQUTI-INIZCTEOSA-N 1 1 356.474 1.784 50 0 FDAAMO CC(C)[N@@H+]1CCc2nnc(C3CCN(C(=O)c4cocn4)CC3)n2CC1 ZINC000675015135 795227232 /nfs/dbraw/zinc/22/72/32/795227232.db2.gz SDXSUXJBIMPPNX-UHFFFAOYSA-N 1 1 358.446 1.552 50 0 FDAAMO CC[N@H+]1CC[C@H](N(C)c2ncnc3c2ncn3C[C@]2(O)CCOC2)[C@@H](C)C1 ZINC000888097642 808184490 /nfs/dbraw/zinc/18/44/90/808184490.db2.gz LVAOVQCOTHPBLR-YZVOILCLSA-N 1 1 374.489 1.144 50 0 FDAAMO Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)[nH]n1 ZINC000426690308 811565397 /nfs/dbraw/zinc/56/53/97/811565397.db2.gz OGTSIUWRNKBALH-HNNXBMFYSA-N 1 1 373.505 1.183 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCc2nc(N(C)C)[nH]c(=O)c2CC1 ZINC000299772392 833036948 /nfs/dbraw/zinc/03/69/48/833036948.db2.gz VRNYBAJKIMATHE-UHFFFAOYSA-N 1 1 358.446 1.025 50 0 FDAAMO CN1C(=O)c2cccn2C[C@@H]1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000169774704 864509041 /nfs/dbraw/zinc/50/90/41/864509041.db2.gz BAWAFQOUIYEQQQ-LJQANCHMSA-N 1 1 366.465 1.507 50 0 FDAAMO COCc1noc([C@@H]2C[N@@H+](Cc3ccc(F)c(OC)c3)C[C@H]2C(N)=O)n1 ZINC000169791169 864529465 /nfs/dbraw/zinc/52/94/65/864529465.db2.gz HPHRPOMXCSOION-VXGBXAGGSA-N 1 1 364.377 1.065 50 0 FDAAMO CC(C)C[N@@H+]1CCc2nnc([C@H]3CCN(C(=O)c4cccnc4)C3)n2CC1 ZINC000257187970 864539329 /nfs/dbraw/zinc/53/93/29/864539329.db2.gz MHTRTKYAMPVPKS-KRWDZBQOSA-N 1 1 368.485 1.817 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)c1cn(CCC2CCCCC2)nn1 ZINC000012453188 882097826 /nfs/dbraw/zinc/09/78/26/882097826.db2.gz PIWRRUKOFIMEAJ-KRWDZBQOSA-N 1 1 363.506 1.825 50 0 FDAAMO Cc1nnc([C@H]2CC[N@H+](Cc3scnc3C)C[C@H]2NC(=O)C2CC2)[nH]1 ZINC000169782924 907107283 /nfs/dbraw/zinc/10/72/83/907107283.db2.gz AAGYAFLZVMQBPA-UONOGXRCSA-N 1 1 360.487 1.762 50 0 FDAAMO Cc1nnc([C@H]2CC[N@@H+](Cc3scnc3C)C[C@H]2NC(=O)C2CC2)[nH]1 ZINC000169782924 907107297 /nfs/dbraw/zinc/10/72/97/907107297.db2.gz AAGYAFLZVMQBPA-UONOGXRCSA-N 1 1 360.487 1.762 50 0 FDAAMO C[N@H+]1CCC[C@@H](NC(=O)N(CCCn2ccnc2)Cc2cccnc2)C1 ZINC000823770605 922047628 /nfs/dbraw/zinc/04/76/28/922047628.db2.gz IXOXDWQZKJDHMS-GOSISDBHSA-N 1 1 356.474 1.974 50 0 FDAAMO O=C(CN1CCOCC1)NC[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000827836835 924759413 /nfs/dbraw/zinc/75/94/13/924759413.db2.gz KAMSSRMDOWZUBY-GOSISDBHSA-N 1 1 370.497 1.828 50 0 FDAAMO O=C(CCC(=O)Nc1cccc(O)c1)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000828711003 924927065 /nfs/dbraw/zinc/92/70/65/924927065.db2.gz WYBZMJWIRLFVQN-INIZCTEOSA-N 1 1 363.458 1.464 50 0 FDAAMO CCCn1c(C)c[nH+]c1C[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000581806548 927602726 /nfs/dbraw/zinc/60/27/26/927602726.db2.gz SLHHSATWMXGZNZ-CQSZACIVSA-N 1 1 351.476 1.588 50 0 FDAAMO CN(Cc1nncn1C)C(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2)C1 ZINC000585083210 943831600 /nfs/dbraw/zinc/83/16/00/943831600.db2.gz AIMFLILZKOYOHM-OAHLLOKOSA-N 1 1 370.457 1.124 50 0 FDAAMO CN(Cc1nncn1C)C(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2)C1 ZINC000585083210 943831608 /nfs/dbraw/zinc/83/16/08/943831608.db2.gz AIMFLILZKOYOHM-OAHLLOKOSA-N 1 1 370.457 1.124 50 0 FDAAMO CNC(=O)COc1ccccc1C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000952845774 960142097 /nfs/dbraw/zinc/14/20/97/960142097.db2.gz QUOATNXKSBIGFC-CQSZACIVSA-N 1 1 355.442 1.563 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@H]1CCO ZINC000952962263 960244653 /nfs/dbraw/zinc/24/46/53/960244653.db2.gz BNCJLDDPNDFYCC-QGZVFWFLSA-N 1 1 369.469 1.703 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CCCN(Cc2cnn(-c3ccccc3F)c2)CC1 ZINC000952974464 960269349 /nfs/dbraw/zinc/26/93/49/960269349.db2.gz UZPHNIPJZXWGFQ-UHFFFAOYSA-N 1 1 359.449 1.607 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CCCN(Cc2cnn(-c3ccccc3F)c2)CC1 ZINC000952974464 960269359 /nfs/dbraw/zinc/26/93/59/960269359.db2.gz UZPHNIPJZXWGFQ-UHFFFAOYSA-N 1 1 359.449 1.607 50 0 FDAAMO COc1cc(C(=O)N[C@H](C)c2nn[nH]n2)ccc1OC1CC[NH+](C)CC1 ZINC000095505895 1013956370 /nfs/dbraw/zinc/95/63/70/1013956370.db2.gz MSEGYVVNQYHVBC-LLVKDONJSA-N 1 1 360.418 1.172 50 0 FDAAMO CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[N@H+](C3CCC3)CC2)cc1 ZINC000828158475 999061001 /nfs/dbraw/zinc/06/10/01/999061001.db2.gz UZALOXRIYOINBX-UHFFFAOYSA-N 1 1 365.499 1.637 50 0 FDAAMO C[N@H+]1C[C@@H](c2cccnc2)[C@H](C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000253390549 1008749482 /nfs/dbraw/zinc/74/94/82/1008749482.db2.gz UERGHDSOJUHYKL-LEWJYISDSA-N 1 1 364.493 1.901 50 0 FDAAMO C[N@@H+]1C[C@@H](c2cccnc2)[C@H](C(=O)NCCN2CCc3ccccc3C2)C1 ZINC000253390549 1008749506 /nfs/dbraw/zinc/74/95/06/1008749506.db2.gz UERGHDSOJUHYKL-LEWJYISDSA-N 1 1 364.493 1.901 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N(C)Cc3nc(C)no3)cc2C1 ZINC000534669037 540398020 /nfs/dbraw/zinc/39/80/20/540398020.db2.gz IYNPWCZKFZRFKT-UHFFFAOYSA-N 1 1 361.450 1.532 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@@H]1C ZINC000010357303 204020879 /nfs/dbraw/zinc/02/08/79/204020879.db2.gz PYQWVWNMNUOSNJ-GFCCVEGCSA-N 1 1 352.398 1.332 50 0 FDAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000002281120 204031700 /nfs/dbraw/zinc/03/17/00/204031700.db2.gz NKRFLWQAPQVESS-UHFFFAOYSA-N 1 1 358.398 1.090 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1 ZINC000004688058 204155141 /nfs/dbraw/zinc/15/51/41/204155141.db2.gz UEQWAIMJMJOTDT-KRWDZBQOSA-N 1 1 373.563 1.819 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000004712371 204157679 /nfs/dbraw/zinc/15/76/79/204157679.db2.gz QQRKRZKEXSFCJS-IRXDYDNUSA-N 1 1 373.563 1.676 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC000004778685 204163288 /nfs/dbraw/zinc/16/32/88/204163288.db2.gz FRUICLCKDDNIKG-OAHLLOKOSA-N 1 1 351.472 1.270 50 0 FDAAMO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000009514874 204372656 /nfs/dbraw/zinc/37/26/56/204372656.db2.gz HXWGQINLEJIGDY-ZDUSSCGKSA-N 1 1 362.426 1.695 50 0 FDAAMO CCCCOC[C@@H](O)C[N@@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000009595078 204375479 /nfs/dbraw/zinc/37/54/79/204375479.db2.gz SZGZECNJOSGQQZ-OALUTQOASA-N 1 1 364.486 1.474 50 0 FDAAMO CCC(N[C@H]1CCCC[C@H]1[NH3+])=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000019359809 204680635 /nfs/dbraw/zinc/68/06/35/204680635.db2.gz MBHCWENHJMABNB-PODIUQQRSA-N 1 1 362.474 1.921 50 0 FDAAMO Cc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)N3CC[NH+](C)CC3)no2)cc1 ZINC000036002361 205000682 /nfs/dbraw/zinc/00/06/82/205000682.db2.gz KSBNZUOIYSPJSE-CQSZACIVSA-N 1 1 356.426 1.542 50 0 FDAAMO C[NH+]1CCN(CCCNc2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000036646256 205019414 /nfs/dbraw/zinc/01/94/14/205019414.db2.gz YCWSTXLTPCANDK-UHFFFAOYSA-N 1 1 351.458 1.841 50 0 FDAAMO CC(C)CC(=O)Nc1nc(C(=O)NCCC[NH+]2CCN(C)CC2)cs1 ZINC000040355311 205066291 /nfs/dbraw/zinc/06/62/91/205066291.db2.gz AREGQGITZCIFMX-UHFFFAOYSA-N 1 1 367.519 1.495 50 0 FDAAMO Cc1nn2c(ncc3c2ccn(N2CC[NH+](C)CC2)c3=O)c1-c1ccccc1 ZINC000040396263 205069606 /nfs/dbraw/zinc/06/96/06/205069606.db2.gz OMIWZWYADRHZGC-UHFFFAOYSA-N 1 1 374.448 1.903 50 0 FDAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000046714674 205138479 /nfs/dbraw/zinc/13/84/79/205138479.db2.gz XVSJLFAGGDEUMR-OAHLLOKOSA-N 1 1 370.453 1.085 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000052804987 205187748 /nfs/dbraw/zinc/18/77/48/205187748.db2.gz KUPASLOOEYGBMF-HNNXBMFYSA-N 1 1 364.515 1.631 50 0 FDAAMO CCCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000049611654 205173929 /nfs/dbraw/zinc/17/39/29/205173929.db2.gz YOARTQNOEATFJK-HOTGVXAUSA-N 1 1 359.513 1.714 50 0 FDAAMO CN1CCN([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]2O)CC1 ZINC000055107635 205207369 /nfs/dbraw/zinc/20/73/69/205207369.db2.gz CAZRLTCOERNQAN-ROUUACIJSA-N 1 1 359.449 1.008 50 0 FDAAMO CCC(=O)Nc1cccc(OCC(=O)NCC[N@H+]2CCCC[C@H]2CO)c1 ZINC000055340761 205214193 /nfs/dbraw/zinc/21/41/93/205214193.db2.gz MOSFPKJWYKKGHN-INIZCTEOSA-N 1 1 363.458 1.377 50 0 FDAAMO O=C(CCc1ccccc1F)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000056808765 205232803 /nfs/dbraw/zinc/23/28/03/205232803.db2.gz JQWSIDDUHSLNND-UHFFFAOYSA-N 1 1 361.461 1.961 50 0 FDAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057381148 205239117 /nfs/dbraw/zinc/23/91/17/205239117.db2.gz MDALPEDVXQVOEX-GHMZBOCLSA-N 1 1 362.455 1.136 50 0 FDAAMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057381148 205239120 /nfs/dbraw/zinc/23/91/20/205239120.db2.gz MDALPEDVXQVOEX-GHMZBOCLSA-N 1 1 362.455 1.136 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+](C)Cc2ccccc2C)c(=O)n(C)c1=O ZINC000058167042 205252843 /nfs/dbraw/zinc/25/28/43/205252843.db2.gz QAKQVONLSAVFNX-UHFFFAOYSA-N 1 1 358.442 1.162 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)Cc2ccccc2C)c(=O)n(C)c1=O ZINC000058167042 205252846 /nfs/dbraw/zinc/25/28/46/205252846.db2.gz QAKQVONLSAVFNX-UHFFFAOYSA-N 1 1 358.442 1.162 50 0 FDAAMO Cc1ncsc1C(=O)NC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000058213823 205261997 /nfs/dbraw/zinc/26/19/97/205261997.db2.gz NTLYGSNIFKLGMM-UHFFFAOYSA-N 1 1 372.494 1.962 50 0 FDAAMO COc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000061722085 205288193 /nfs/dbraw/zinc/28/81/93/205288193.db2.gz VEANKWAFPJKYEZ-GOSISDBHSA-N 1 1 357.454 1.648 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000061722118 205288426 /nfs/dbraw/zinc/28/84/26/205288426.db2.gz WPMZFIWYXXZEOO-SFHVURJKSA-N 1 1 357.454 1.648 50 0 FDAAMO CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC[N@@H+](C)CC1 ZINC000065426488 205350064 /nfs/dbraw/zinc/35/00/64/205350064.db2.gz WQKLKXANLQCMBX-KRWDZBQOSA-N 1 1 361.486 1.701 50 0 FDAAMO Cc1cccc([C@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)[NH+](C)C)c1 ZINC000065460111 205351371 /nfs/dbraw/zinc/35/13/71/205351371.db2.gz VRHPTSSDTNGHGZ-MRXNPFEDSA-N 1 1 353.488 1.138 50 0 FDAAMO NC(=O)C[NH+]1CCC(Nc2ncc3c(n2)CCN3c2ccccc2)CC1 ZINC000065488747 205353553 /nfs/dbraw/zinc/35/35/53/205353553.db2.gz RDNPNNQUOGTBFQ-UHFFFAOYSA-N 1 1 352.442 1.532 50 0 FDAAMO CCc1nc(NC(=O)c2cccc(CN3CCC[N@@H+](C)CC3)c2)nn1C ZINC000065507831 205357730 /nfs/dbraw/zinc/35/77/30/205357730.db2.gz IAQKHBRGGXCYBV-UHFFFAOYSA-N 1 1 356.474 1.767 50 0 FDAAMO COC(=O)c1cc2n(n1)CCCN(C(=O)[C@H](C)n1cc[nH+]c1C(C)C)C2 ZINC000065370510 205339116 /nfs/dbraw/zinc/33/91/16/205339116.db2.gz NUBWTQKABLAUGX-ZDUSSCGKSA-N 1 1 359.430 1.983 50 0 FDAAMO C[N@H+]1CCN2CCN(Cc3cc(=O)n4c5c(cccc35)CCC4)C[C@@H]2C1 ZINC000065371893 205342149 /nfs/dbraw/zinc/34/21/49/205342149.db2.gz NQZQPVOBWRCEAT-SFHVURJKSA-N 1 1 352.482 1.379 50 0 FDAAMO O=C(C[NH2+]CCN1N=C(c2ccccc2)CCC1=O)Nc1cnccn1 ZINC000065381977 205343108 /nfs/dbraw/zinc/34/31/08/205343108.db2.gz YASKIYKVGYQBML-UHFFFAOYSA-N 1 1 352.398 1.031 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065395162 205345534 /nfs/dbraw/zinc/34/55/34/205345534.db2.gz ZJTITNFWMICZEB-GOSISDBHSA-N 1 1 369.469 1.396 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065395162 205345538 /nfs/dbraw/zinc/34/55/38/205345538.db2.gz ZJTITNFWMICZEB-GOSISDBHSA-N 1 1 369.469 1.396 50 0 FDAAMO O=C(c1cc2n(n1)CCC[N@H+](C1Cc3ccccc3C1)C2)N1CCOCC1 ZINC000065417828 205348393 /nfs/dbraw/zinc/34/83/93/205348393.db2.gz HCDVYNXHOXHXNG-UHFFFAOYSA-N 1 1 366.465 1.729 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 ZINC000067338654 205371266 /nfs/dbraw/zinc/37/12/66/205371266.db2.gz SWRDIRRWAYQHRW-CQSZACIVSA-N 1 1 369.487 1.014 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000067601843 205376459 /nfs/dbraw/zinc/37/64/59/205376459.db2.gz BOMOZVHIWJJMPQ-BBWFWOEESA-N 1 1 373.563 1.532 50 0 FDAAMO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)no1 ZINC000067673373 205379646 /nfs/dbraw/zinc/37/96/46/205379646.db2.gz USLVDOSIHZIOOI-UHFFFAOYSA-N 1 1 354.410 1.233 50 0 FDAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067723352 205386349 /nfs/dbraw/zinc/38/63/49/205386349.db2.gz OYQIJEFOYHEQLP-HNNXBMFYSA-N 1 1 355.373 1.659 50 0 FDAAMO Cc1ccc(C2(O)CCN(C(=O)CC[C@@H](C)N3CC[NH+](C)CC3)CC2)nc1 ZINC000067741300 205386851 /nfs/dbraw/zinc/38/68/51/205386851.db2.gz RUAMSKTXTHDTQG-GOSISDBHSA-N 1 1 374.529 1.616 50 0 FDAAMO COc1cc2[nH]c(=O)c(CN3CC[N@H+]4CCC[C@@H]4C3)cc2c(OC)c1OC ZINC000067846789 205395261 /nfs/dbraw/zinc/39/52/61/205395261.db2.gz QNSRMSVKQILZJJ-CQSZACIVSA-N 1 1 373.453 1.834 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(NCC(=O)N(C)C)nc2)C1 ZINC000067856475 205397512 /nfs/dbraw/zinc/39/75/12/205397512.db2.gz RNADHTSIPUPAPA-OAHLLOKOSA-N 1 1 361.490 1.289 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cccn2-c2nnc(N3CCCC3)s2)CC1 ZINC000015731310 220163425 /nfs/dbraw/zinc/16/34/25/220163425.db2.gz UKNXDTGDSLEQMH-UHFFFAOYSA-N 1 1 360.487 1.707 50 0 FDAAMO c1cnn(Cc2nnc(C3CCN(C4CC[NH2+]CC4)CC3)n2C2CC2)c1 ZINC000091305900 205670051 /nfs/dbraw/zinc/67/00/51/205670051.db2.gz SQUWUDVDCQQHSP-UHFFFAOYSA-N 1 1 355.490 1.789 50 0 FDAAMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000170591722 206270008 /nfs/dbraw/zinc/27/00/08/206270008.db2.gz DERXHPSQUSSFHI-PBHICJAKSA-N 1 1 368.499 1.508 50 0 FDAAMO CC(C)(C)NC(=O)C(=O)NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000016847338 206320996 /nfs/dbraw/zinc/32/09/96/206320996.db2.gz GKWPBBGKKYRQOX-KRWDZBQOSA-N 1 1 361.486 1.871 50 0 FDAAMO CC(C)(C)NC(=O)C(=O)NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000016847338 206321000 /nfs/dbraw/zinc/32/10/00/206321000.db2.gz GKWPBBGKKYRQOX-KRWDZBQOSA-N 1 1 361.486 1.871 50 0 FDAAMO O=c1[nH]c([O-])c([C@@H]2[NH2+]CCc3ccccc32)c(=O)n1CCc1ccccc1 ZINC000020410497 206330494 /nfs/dbraw/zinc/33/04/94/206330494.db2.gz DMYDHSNULWPSNS-GOSISDBHSA-N 1 1 363.417 1.720 50 0 biogenic FDAAMO C[N@H+]1CCCN(CC(=O)NCc2noc(-c3c(F)cccc3F)n2)CC1 ZINC000218871298 206374570 /nfs/dbraw/zinc/37/45/70/206374570.db2.gz RGFJUJPKQGPOFT-UHFFFAOYSA-N 1 1 365.384 1.269 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000218986105 206376158 /nfs/dbraw/zinc/37/61/58/206376158.db2.gz SUFVSGFGSCRYIF-LBXVMSDZSA-N 1 1 360.454 1.272 50 0 FDAAMO Cn1ccnc1CN(C(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C)C1CC1 ZINC000218965794 206376807 /nfs/dbraw/zinc/37/68/07/206376807.db2.gz LSTUNLGRODLVTF-SFHVURJKSA-N 1 1 356.426 1.943 50 0 FDAAMO CCc1nc(C)sc1CNC(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000219166379 206379396 /nfs/dbraw/zinc/37/93/96/206379396.db2.gz TYXPUYMQXAICAX-LBPRGKRZSA-N 1 1 359.517 1.139 50 0 FDAAMO CCc1nc(C)sc1CNC(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000219166379 206379401 /nfs/dbraw/zinc/37/94/01/206379401.db2.gz TYXPUYMQXAICAX-LBPRGKRZSA-N 1 1 359.517 1.139 50 0 FDAAMO O=C(Cc1ccc(Cl)cc1)N1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000219690774 206389394 /nfs/dbraw/zinc/38/93/94/206389394.db2.gz MTJWKOAEKUQABF-UHFFFAOYSA-N 1 1 365.905 1.483 50 0 FDAAMO C[NH+](C)C[C@]1(CO)CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 ZINC000221349966 206407870 /nfs/dbraw/zinc/40/78/70/206407870.db2.gz OJOKPAONLKWFDT-GOSISDBHSA-N 1 1 368.499 1.013 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)ncn1 ZINC000082156670 132197741 /nfs/dbraw/zinc/19/77/41/132197741.db2.gz UKNZVMOYTJUIEP-QGZVFWFLSA-N 1 1 373.501 1.325 50 0 FDAAMO CNc1nc(C)cc(N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091964615 132205037 /nfs/dbraw/zinc/20/50/37/132205037.db2.gz VUAJIFASLLJFSH-MRXNPFEDSA-N 1 1 372.517 1.740 50 0 FDAAMO CNc1nc(C)cc(N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091964615 132205038 /nfs/dbraw/zinc/20/50/38/132205038.db2.gz VUAJIFASLLJFSH-MRXNPFEDSA-N 1 1 372.517 1.740 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2ncccn2)CC1 ZINC000095359317 132207610 /nfs/dbraw/zinc/20/76/10/132207610.db2.gz ZRAOFWSNYDHAQG-MRXNPFEDSA-N 1 1 355.442 1.630 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CC[C@](O)(CO)C3)CC2)nc(-c2ccccc2)n1 ZINC000096163360 132221390 /nfs/dbraw/zinc/22/13/90/132221390.db2.gz CYGLNGATHVHWSC-OAQYLSRUSA-N 1 1 368.481 1.850 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3ncnc4nc[nH]c43)C[C@H]2CCO)c1 ZINC000106988868 132266269 /nfs/dbraw/zinc/26/62/69/132266269.db2.gz UWVDTHIJCLTSFD-OAHLLOKOSA-N 1 1 368.441 1.435 50 0 FDAAMO C[C@H](O)C[N@H+]1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[C@@H](C)C1 ZINC000221909111 132276828 /nfs/dbraw/zinc/27/68/28/132276828.db2.gz BJURPTWZAIJLLU-KBPBESRZSA-N 1 1 368.441 1.000 50 0 FDAAMO CNc1nc(N2CCC(O)(c3cccnc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299756248 132297844 /nfs/dbraw/zinc/29/78/44/132297844.db2.gz FHINSFVOVBAVLY-CQSZACIVSA-N 1 1 355.442 1.905 50 0 FDAAMO CO[C@]12CC[N@@H+](CCN3CCN(c4ccccc4)CC3)[C@H]1C[C@H](O)CC2 ZINC000299764366 132298380 /nfs/dbraw/zinc/29/83/80/132298380.db2.gz RZCNAAZCAYPLIK-QHAWAJNXSA-N 1 1 359.514 1.813 50 0 FDAAMO CCn1nc(CO)c2c1CCN(c1cc([C@H]3CCOC3)[nH+]c(NC)n1)C2 ZINC000299778573 132299396 /nfs/dbraw/zinc/29/93/96/132299396.db2.gz QQUHOHIBQFKCLV-LBPRGKRZSA-N 1 1 358.446 1.294 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCN(c2cn[nH]c(=O)c2)CC1 ZINC000055107494 136126055 /nfs/dbraw/zinc/12/60/55/136126055.db2.gz AFKSTIJEIVNFLK-HNNXBMFYSA-N 1 1 371.441 1.336 50 0 FDAAMO Cc1c[nH+]c(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1N ZINC000067674369 136137230 /nfs/dbraw/zinc/13/72/30/136137230.db2.gz PPAKTIHBENJRBN-CYBMUJFWSA-N 1 1 351.414 1.625 50 0 FDAAMO Nc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071638970 136139616 /nfs/dbraw/zinc/13/96/16/136139616.db2.gz XNDTZGYMTCBUQG-OAHLLOKOSA-N 1 1 358.490 1.362 50 0 FDAAMO Cc1ccc(-c2ccnc(N3CC[NH2+][C@@H](C(=O)NC4CC4)C3)n2)c(C)n1 ZINC000072154594 136143069 /nfs/dbraw/zinc/14/30/69/136143069.db2.gz SJFMTTICELORBM-QGZVFWFLSA-N 1 1 352.442 1.212 50 0 FDAAMO CCCc1nc(C)cc(N2CC[NH2+][C@H](C(=O)NCc3cccnc3)C2)n1 ZINC000072171567 136143723 /nfs/dbraw/zinc/14/37/23/136143723.db2.gz MFUJHOBHNFOJBR-INIZCTEOSA-N 1 1 354.458 1.227 50 0 FDAAMO Cn1cc[nH+]c1N1CCN(c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000075053150 136150043 /nfs/dbraw/zinc/15/00/43/136150043.db2.gz ZQNHUIKDPKZGQW-UHFFFAOYSA-N 1 1 356.398 1.743 50 0 FDAAMO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](CCO)CC2)c(C)c1 ZINC000026580409 136153237 /nfs/dbraw/zinc/15/32/37/136153237.db2.gz SAXNTACYTNECDP-UHFFFAOYSA-N 1 1 352.442 1.547 50 0 FDAAMO C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3ccccc3N)CC2)CC1 ZINC000332161980 259246246 /nfs/dbraw/zinc/24/62/46/259246246.db2.gz ZDCNWCOCLYXIHE-UHFFFAOYSA-N 1 1 366.531 1.307 50 0 FDAAMO CCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000019772045 263376544 /nfs/dbraw/zinc/37/65/44/263376544.db2.gz QBIRMHHMCDOIPT-QGZVFWFLSA-N 1 1 373.453 1.695 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N2CCC(c3nnc[nH]3)CC2)C1 ZINC000426661974 263653355 /nfs/dbraw/zinc/65/33/55/263653355.db2.gz HGNIVXBYVBCXJG-AWEZNQCLSA-N 1 1 350.467 1.052 50 0 FDAAMO COCC[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(c3nc[nH]n3)CC2)C1 ZINC000426661974 263653356 /nfs/dbraw/zinc/65/33/56/263653356.db2.gz HGNIVXBYVBCXJG-AWEZNQCLSA-N 1 1 350.467 1.052 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N2CCC(c3nc[nH]n3)CC2)C1 ZINC000426661974 263653359 /nfs/dbraw/zinc/65/33/59/263653359.db2.gz HGNIVXBYVBCXJG-AWEZNQCLSA-N 1 1 350.467 1.052 50 0 FDAAMO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000008706006 518482038 /nfs/dbraw/zinc/48/20/38/518482038.db2.gz YRBQHEFYJOVKOW-UHFFFAOYSA-N 1 1 352.398 1.414 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(CCCn3cccn3)CC2)C1 ZINC000012438557 518612937 /nfs/dbraw/zinc/61/29/37/518612937.db2.gz JXDQOLJBDJJDKI-KRWDZBQOSA-N 1 1 359.518 1.728 50 0 FDAAMO Cn1cnnc1SCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012432000 518613429 /nfs/dbraw/zinc/61/34/29/518613429.db2.gz MFKDDCNWITYIKC-CQSZACIVSA-N 1 1 363.462 1.827 50 0 FDAAMO Cn1cnnc1SCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012432000 518613433 /nfs/dbraw/zinc/61/34/33/518613433.db2.gz MFKDDCNWITYIKC-CQSZACIVSA-N 1 1 363.462 1.827 50 0 FDAAMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCOCC3)CC2)cc1 ZINC000012940965 518643484 /nfs/dbraw/zinc/64/34/84/518643484.db2.gz JTDGWEWJCXXRRL-MRXNPFEDSA-N 1 1 359.470 1.893 50 0 FDAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000013371618 518656579 /nfs/dbraw/zinc/65/65/79/518656579.db2.gz VOXTWBRBGVRQCA-HOTGVXAUSA-N 1 1 373.496 1.167 50 0 FDAAMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000014120007 518676457 /nfs/dbraw/zinc/67/64/57/518676457.db2.gz OPQLIMGYFHMOSS-IBGZPJMESA-N 1 1 374.441 1.225 50 0 FDAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(O)cc2)CC[C@H]1N1CCOCC1 ZINC000014978921 518703273 /nfs/dbraw/zinc/70/32/73/518703273.db2.gz AUOMKTDPWHRHNF-PKOBYXMFSA-N 1 1 362.470 1.868 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000015077049 518709431 /nfs/dbraw/zinc/70/94/31/518709431.db2.gz DXKQCGOTUDKJBP-FQEVSTJZSA-N 1 1 374.460 1.853 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2ccccn2c1=O ZINC000015962653 518739671 /nfs/dbraw/zinc/73/96/71/518739671.db2.gz SGIQSCZFTGZRKO-CQSZACIVSA-N 1 1 358.442 1.785 50 0 FDAAMO COC[C@H](C)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422364 518756888 /nfs/dbraw/zinc/75/68/88/518756888.db2.gz DBNJIUWVIPDDJK-ZDUSSCGKSA-N 1 1 374.407 1.764 50 0 FDAAMO COC[C@H](C)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422364 518756894 /nfs/dbraw/zinc/75/68/94/518756894.db2.gz DBNJIUWVIPDDJK-ZDUSSCGKSA-N 1 1 374.407 1.764 50 0 FDAAMO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+](CCO)CC2)cc1C ZINC000017120361 518775927 /nfs/dbraw/zinc/77/59/27/518775927.db2.gz SAVJPWWQLKXIAN-UHFFFAOYSA-N 1 1 352.442 1.547 50 0 FDAAMO CC(C)[N@H+]1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@@H]1CCO ZINC000019641753 518823149 /nfs/dbraw/zinc/82/31/49/518823149.db2.gz QBYWCFCCIIMHEM-AWEZNQCLSA-N 1 1 365.503 1.836 50 0 FDAAMO C[NH+]1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019732120 518832815 /nfs/dbraw/zinc/83/28/15/518832815.db2.gz GPRCPTHYBRXRCE-UHFFFAOYSA-N 1 1 365.433 1.990 50 0 FDAAMO Cc1cc(OCC(=O)N2CC[NH+](C)CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000020266977 518847366 /nfs/dbraw/zinc/84/73/66/518847366.db2.gz YQELIMATSYTRAI-UHFFFAOYSA-N 1 1 356.422 1.743 50 0 FDAAMO CCC[N@@H+]1CCc2c(sc3c2c(N[C@@H](CC)CO)nc2nnnn23)C1 ZINC000020518020 518851514 /nfs/dbraw/zinc/85/15/14/518851514.db2.gz QIKLRSBRKVWYEL-JTQLQIEISA-N 1 1 361.475 1.685 50 0 FDAAMO CCC[N@H+]1CCc2c(sc3c2c(N[C@@H](CC)CO)nc2nnnn23)C1 ZINC000020518020 518851522 /nfs/dbraw/zinc/85/15/22/518851522.db2.gz QIKLRSBRKVWYEL-JTQLQIEISA-N 1 1 361.475 1.685 50 0 FDAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H]([NH2+]CC(C)C)C2 ZINC000020999669 518863047 /nfs/dbraw/zinc/86/30/47/518863047.db2.gz ODLNKXWROOXLJQ-MRXNPFEDSA-N 1 1 361.534 1.784 50 0 FDAAMO C[NH+]1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2cccs2)CC1 ZINC000021487215 518874407 /nfs/dbraw/zinc/87/44/07/518874407.db2.gz FSOZCWUBCDJCSV-QINSGFPZSA-N 1 1 356.451 1.688 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(C(=O)OC)c2N)cc1 ZINC000021652324 518880322 /nfs/dbraw/zinc/88/03/22/518880322.db2.gz RVXVKECHUUDWLY-HNNXBMFYSA-N 1 1 371.441 1.455 50 0 FDAAMO CCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n2ncnc2n1 ZINC000022668307 518905653 /nfs/dbraw/zinc/90/56/53/518905653.db2.gz HKUNLYYOJBJTFG-UHFFFAOYSA-N 1 1 366.425 1.738 50 0 FDAAMO COC(=O)c1cc2oc3ccccc3c2n1C[C@H](O)CN1CC[NH+](C)CC1 ZINC000022870929 518917383 /nfs/dbraw/zinc/91/73/83/518917383.db2.gz UIENJSLFIPQCGC-CQSZACIVSA-N 1 1 371.437 1.782 50 0 FDAAMO Nc1nc(N)nc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000023248980 518938380 /nfs/dbraw/zinc/93/83/80/518938380.db2.gz ZTJOTLCKGQKCOM-UHFFFAOYSA-N 1 1 367.379 1.373 50 0 FDAAMO COC(=O)[C@]1(C)C[C@H](C(=O)N2CCN(C)CC2)[C@H](c2ccccc2C)[N@H+]1C ZINC000023340403 518947723 /nfs/dbraw/zinc/94/77/23/518947723.db2.gz TUZBNXMDNFIOOF-WFXMLNOXSA-N 1 1 373.497 1.694 50 0 FDAAMO COc1cccc(CCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1OC ZINC000023640991 518959131 /nfs/dbraw/zinc/95/91/31/518959131.db2.gz VOVAFJGTUXUHMG-QGZVFWFLSA-N 1 1 362.470 1.960 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CCCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000024675512 519004424 /nfs/dbraw/zinc/00/44/24/519004424.db2.gz DDWVTTDTLRBVPL-UHFFFAOYSA-N 1 1 352.866 1.374 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CCCN(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000024675512 519004431 /nfs/dbraw/zinc/00/44/31/519004431.db2.gz DDWVTTDTLRBVPL-UHFFFAOYSA-N 1 1 352.866 1.374 50 0 FDAAMO Cc1ccc(CNC(=O)[C@H](C)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000024678002 519004563 /nfs/dbraw/zinc/00/45/63/519004563.db2.gz QRHDXUUVSVXMRQ-KRWDZBQOSA-N 1 1 360.502 1.096 50 0 FDAAMO Cc1ccc(CNC(=O)[C@H](C)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000024678002 519004569 /nfs/dbraw/zinc/00/45/69/519004569.db2.gz QRHDXUUVSVXMRQ-KRWDZBQOSA-N 1 1 360.502 1.096 50 0 FDAAMO Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCN(CC(=O)N(C)C)CC2)cc1 ZINC000024678002 519004572 /nfs/dbraw/zinc/00/45/72/519004572.db2.gz QRHDXUUVSVXMRQ-KRWDZBQOSA-N 1 1 360.502 1.096 50 0 FDAAMO Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCCN(CC(=O)N(C)C)CC2)cc1 ZINC000024678002 519004580 /nfs/dbraw/zinc/00/45/80/519004580.db2.gz QRHDXUUVSVXMRQ-KRWDZBQOSA-N 1 1 360.502 1.096 50 0 FDAAMO COc1ccccc1NC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000024691768 519008396 /nfs/dbraw/zinc/00/83/96/519008396.db2.gz WDERYHDKESCNBT-UHFFFAOYSA-N 1 1 360.458 1.857 50 0 FDAAMO COc1ccccc1NC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000024691768 519008403 /nfs/dbraw/zinc/00/84/03/519008403.db2.gz WDERYHDKESCNBT-UHFFFAOYSA-N 1 1 360.458 1.857 50 0 FDAAMO CC(C)[C@H](CNC(=O)CN1CSCC1=O)[N@H+]1CCc2ccccc2C1 ZINC000025535545 519069154 /nfs/dbraw/zinc/06/91/54/519069154.db2.gz FSOSCJGIPIWDJZ-KRWDZBQOSA-N 1 1 361.511 1.718 50 0 FDAAMO C[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826450 519085886 /nfs/dbraw/zinc/08/58/86/519085886.db2.gz NJDBLHUUNOIDFY-BRWVUGGUSA-N 1 1 373.497 1.905 50 0 FDAAMO Cc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)c(F)c1 ZINC000028835424 519251327 /nfs/dbraw/zinc/25/13/27/519251327.db2.gz DBHSEABHVWMJRO-OAHLLOKOSA-N 1 1 363.433 1.326 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(COc2c(=O)ccoc2C)no1 ZINC000031814646 519465986 /nfs/dbraw/zinc/46/59/86/519465986.db2.gz XSLHOAWGGARMTM-GFCCVEGCSA-N 1 1 362.386 1.124 50 0 FDAAMO CCCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020453690 520691200 /nfs/dbraw/zinc/69/12/00/520691200.db2.gz FSIPFOCGOUUCPW-GOSISDBHSA-N 1 1 365.518 1.572 50 0 FDAAMO CCC[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)nc2)C[C@H]1NS(C)(=O)=O ZINC000082097522 520840877 /nfs/dbraw/zinc/84/08/77/520840877.db2.gz RFZRLEOOKLJEKI-HUUCEWRRSA-N 1 1 364.471 1.886 50 0 FDAAMO CCC[C@@H]1C[N@@H+](Cc2cnc(-c3ccco3)nc2)C[C@H]1NS(C)(=O)=O ZINC000082097522 520840891 /nfs/dbraw/zinc/84/08/91/520840891.db2.gz RFZRLEOOKLJEKI-HUUCEWRRSA-N 1 1 364.471 1.886 50 0 FDAAMO CCCn1ncc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1C ZINC000091651464 521671812 /nfs/dbraw/zinc/67/18/12/521671812.db2.gz SVOVZTRYPBFWII-UHFFFAOYSA-N 1 1 374.489 1.467 50 0 FDAAMO CCCn1ncc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1C ZINC000091651464 521671815 /nfs/dbraw/zinc/67/18/15/521671815.db2.gz SVOVZTRYPBFWII-UHFFFAOYSA-N 1 1 374.489 1.467 50 0 FDAAMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000069138663 521816399 /nfs/dbraw/zinc/81/63/99/521816399.db2.gz SMNHVEXFVMFMMH-OAHLLOKOSA-N 1 1 365.499 1.688 50 0 FDAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N3CCOCC3)c2C)C1 ZINC000069570282 521916283 /nfs/dbraw/zinc/91/62/83/521916283.db2.gz VTXDYIQTHPOXJL-UHFFFAOYSA-N 1 1 355.442 1.426 50 0 FDAAMO CCC(CC)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CCO)C3)c1C ZINC000069926497 521979317 /nfs/dbraw/zinc/97/93/17/521979317.db2.gz WXVTVOKHCSWBCN-UHFFFAOYSA-N 1 1 371.485 1.845 50 0 FDAAMO O=C(NCCCO)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071416208 522112972 /nfs/dbraw/zinc/11/29/72/522112972.db2.gz PMZMFLOLTVUDKH-GOSISDBHSA-N 1 1 360.502 1.257 50 0 FDAAMO Cn1cccc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071730381 522120321 /nfs/dbraw/zinc/12/03/21/522120321.db2.gz DLWLJBXRKMCYTE-HNNXBMFYSA-N 1 1 358.486 1.620 50 0 FDAAMO Cc1nc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)no1 ZINC000071681634 522121901 /nfs/dbraw/zinc/12/19/01/522121901.db2.gz WBVUIFTYZDFUPK-MRXNPFEDSA-N 1 1 361.490 1.677 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000071752787 522126669 /nfs/dbraw/zinc/12/66/69/522126669.db2.gz ZRTWJJYPXXHUGZ-OAHLLOKOSA-N 1 1 366.531 1.582 50 0 FDAAMO Cc1cncc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071754415 522127840 /nfs/dbraw/zinc/12/78/40/522127840.db2.gz VEVMOECEHWHGIZ-MRXNPFEDSA-N 1 1 370.497 1.985 50 0 FDAAMO CCCn1cnnc1CN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071765256 522130054 /nfs/dbraw/zinc/13/00/54/522130054.db2.gz DCVTWPVAGAROPD-MRXNPFEDSA-N 1 1 362.522 1.453 50 0 FDAAMO O=c1c2ccc(F)cc2ncn1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000071825038 522137271 /nfs/dbraw/zinc/13/72/71/522137271.db2.gz PPTZIUGHKQJZTB-KRWDZBQOSA-N 1 1 353.397 1.955 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(-n3cc(C)cn3)cc2)CC1 ZINC000072012852 522145104 /nfs/dbraw/zinc/14/51/04/522145104.db2.gz RTRXNAKBUMDJQV-UHFFFAOYSA-N 1 1 355.486 1.938 50 0 FDAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cn3c(n2)CNCC3)C1 ZINC000072124219 522156923 /nfs/dbraw/zinc/15/69/23/522156923.db2.gz ZIXYARBJKLIMGT-INIZCTEOSA-N 1 1 353.470 1.514 50 0 FDAAMO CC[N@@H+](C)[C@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 ZINC000072134635 522165101 /nfs/dbraw/zinc/16/51/01/522165101.db2.gz NGSVUQRSDCGXKK-CQSZACIVSA-N 1 1 368.485 1.830 50 0 FDAAMO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)cc2C)cn1 ZINC000072167667 522194757 /nfs/dbraw/zinc/19/47/57/522194757.db2.gz SEEDSUMQQAQXIR-SFHVURJKSA-N 1 1 370.428 1.819 50 0 FDAAMO C[C@@H](CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)NC(=O)C1CCCC1 ZINC000072277567 522205745 /nfs/dbraw/zinc/20/57/45/522205745.db2.gz YGWIWDJTMPUJHM-WMZOPIPTSA-N 1 1 365.518 1.785 50 0 FDAAMO CCCOc1ccc(CCNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)cc1OC ZINC000072410678 522242600 /nfs/dbraw/zinc/24/26/00/522242600.db2.gz KJPWCFUSBNJRIC-GOSISDBHSA-N 1 1 358.442 1.753 50 0 FDAAMO CSCCC[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072434267 522271540 /nfs/dbraw/zinc/27/15/40/522271540.db2.gz AJPWOIWCHJYZJP-HNNXBMFYSA-N 1 1 353.536 1.580 50 0 FDAAMO CNc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cs1 ZINC000072473934 522296399 /nfs/dbraw/zinc/29/63/99/522296399.db2.gz JRXGVQZNRAXSOG-HNNXBMFYSA-N 1 1 360.483 1.894 50 0 FDAAMO CNc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cs1 ZINC000072473934 522296410 /nfs/dbraw/zinc/29/64/10/522296410.db2.gz JRXGVQZNRAXSOG-HNNXBMFYSA-N 1 1 360.483 1.894 50 0 FDAAMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072476550 522298458 /nfs/dbraw/zinc/29/84/58/522298458.db2.gz MLNHEWKRWAPGMY-KRWDZBQOSA-N 1 1 372.469 1.142 50 0 FDAAMO C[C@@H](Cn1cncn1)Nc1nc(-c2ccco2)nc2c1CC[N@@H+](C)CC2 ZINC000072477534 522301527 /nfs/dbraw/zinc/30/15/27/522301527.db2.gz MTCBQWAKVBQAHE-ZDUSSCGKSA-N 1 1 353.430 1.859 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072480688 522305941 /nfs/dbraw/zinc/30/59/41/522305941.db2.gz IGRFMJZLAGMTSS-MRXNPFEDSA-N 1 1 362.522 1.459 50 0 FDAAMO NC(=O)C[N@@H+]1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000059403363 522338811 /nfs/dbraw/zinc/33/88/11/522338811.db2.gz KVKZNOUOZWNLPI-UHFFFAOYSA-N 1 1 353.348 1.646 50 0 FDAAMO NC(=O)C[N@H+]1CCCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000059403363 522338815 /nfs/dbraw/zinc/33/88/15/522338815.db2.gz KVKZNOUOZWNLPI-UHFFFAOYSA-N 1 1 353.348 1.646 50 0 FDAAMO COc1cc(C[NH+]2CCSCC2)ccc1OCC(=O)N1CCOCC1 ZINC000216540592 522391325 /nfs/dbraw/zinc/39/13/25/522391325.db2.gz KUBRGGBXNCQUIL-UHFFFAOYSA-N 1 1 366.483 1.482 50 0 FDAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000091651534 522674244 /nfs/dbraw/zinc/67/42/44/522674244.db2.gz FYNCXABUPZEOME-CQSZACIVSA-N 1 1 351.878 1.956 50 0 FDAAMO CN(CCC(=O)N1CC(Oc2ccccc2Cl)C1)[C@@H]1CC[N@H+](C)C1 ZINC000091651534 522674250 /nfs/dbraw/zinc/67/42/50/522674250.db2.gz FYNCXABUPZEOME-CQSZACIVSA-N 1 1 351.878 1.956 50 0 FDAAMO CN(CCC(=O)N1CC(Oc2ccccc2Cl)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000091651534 522674260 /nfs/dbraw/zinc/67/42/60/522674260.db2.gz FYNCXABUPZEOME-CQSZACIVSA-N 1 1 351.878 1.956 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(OC)cc1C)C2 ZINC000082172133 522766329 /nfs/dbraw/zinc/76/63/29/522766329.db2.gz VLNBTOGMOSJYOT-UHFFFAOYSA-N 1 1 372.469 1.869 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(OC)cc1C)C2 ZINC000082172133 522766339 /nfs/dbraw/zinc/76/63/39/522766339.db2.gz VLNBTOGMOSJYOT-UHFFFAOYSA-N 1 1 372.469 1.869 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1CO ZINC000091620542 522882316 /nfs/dbraw/zinc/88/23/16/522882316.db2.gz OVPRMULWWGNEMZ-QZTJIDSGSA-N 1 1 360.498 1.489 50 0 FDAAMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000075325200 522903386 /nfs/dbraw/zinc/90/33/86/522903386.db2.gz DPCKTDXRHHJJMQ-QZTJIDSGSA-N 1 1 364.511 1.792 50 0 FDAAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(C)cc1)CC2 ZINC000019839925 522956923 /nfs/dbraw/zinc/95/69/23/522956923.db2.gz AMQVDFKDUACMIB-MRXNPFEDSA-N 1 1 371.485 1.859 50 0 FDAAMO COc1cccc(C(=O)NCCNc2cc(-n3cc[nH+]c3C)ncn2)c1 ZINC000077128453 523251169 /nfs/dbraw/zinc/25/11/69/523251169.db2.gz DNWKOFHRCLMPOE-UHFFFAOYSA-N 1 1 352.398 1.821 50 0 FDAAMO COC(=O)CC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077407955 523327017 /nfs/dbraw/zinc/32/70/17/523327017.db2.gz HCHHOQTXPADPAJ-IBGZPJMESA-N 1 1 360.458 1.553 50 0 FDAAMO CCNC(=O)CC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077407540 523327751 /nfs/dbraw/zinc/32/77/51/523327751.db2.gz SDSGSMMTZVJIKL-NRFANRHFSA-N 1 1 372.513 1.855 50 0 FDAAMO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CN1CCC[C@H](O)C1 ZINC000077469755 523349864 /nfs/dbraw/zinc/34/98/64/523349864.db2.gz JCHAEYMFTYWGMY-FQEVSTJZSA-N 1 1 359.514 1.814 50 0 FDAAMO C[NH2+][C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077488450 523359981 /nfs/dbraw/zinc/35/99/81/523359981.db2.gz YEJAJRJHGRREDB-ZDUSSCGKSA-N 1 1 374.466 1.375 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)s1 ZINC000077523685 523370664 /nfs/dbraw/zinc/37/06/64/523370664.db2.gz YGRIPFSBQXNRRL-QGZVFWFLSA-N 1 1 352.504 1.406 50 0 FDAAMO CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@H]3C1=O ZINC000077540840 523377066 /nfs/dbraw/zinc/37/70/66/523377066.db2.gz QNIISZIIRGJVBZ-CLWJZODNSA-N 1 1 361.486 1.121 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)Cc2sc(C)nc2C)C1 ZINC000091351289 523619338 /nfs/dbraw/zinc/61/93/38/523619338.db2.gz LRKMBDQFCJLXAF-HZPDHXFCSA-N 1 1 369.531 1.338 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1CO ZINC000091452181 524061300 /nfs/dbraw/zinc/06/13/00/524061300.db2.gz SFMHHWWAQCITGV-ZIAGYGMSSA-N 1 1 355.429 1.139 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1CO ZINC000091452181 524061301 /nfs/dbraw/zinc/06/13/01/524061301.db2.gz SFMHHWWAQCITGV-ZIAGYGMSSA-N 1 1 355.429 1.139 50 0 FDAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)CCc2scnc2C)[C@@H](C(C)C)C1 ZINC000091452069 524073682 /nfs/dbraw/zinc/07/36/82/524073682.db2.gz CZRHNGZEEKFOOQ-KGLIPLIRSA-N 1 1 352.504 1.203 50 0 FDAAMO Cc1ncc(C(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)c(=O)[nH]1 ZINC000082100029 524208630 /nfs/dbraw/zinc/20/86/30/524208630.db2.gz CXBXYHBLCSSKKK-UHFFFAOYSA-N 1 1 358.446 1.067 50 0 FDAAMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000082120159 524214813 /nfs/dbraw/zinc/21/48/13/524214813.db2.gz GNTPCWDPKYZILO-UHFFFAOYSA-N 1 1 363.477 1.971 50 0 FDAAMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000082120159 524214822 /nfs/dbraw/zinc/21/48/22/524214822.db2.gz GNTPCWDPKYZILO-UHFFFAOYSA-N 1 1 363.477 1.971 50 0 FDAAMO Cc1cc(C)c(C(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)c(=O)[nH]1 ZINC000082167031 524218439 /nfs/dbraw/zinc/21/84/39/524218439.db2.gz KASMBIWTRZDWRM-UHFFFAOYSA-N 1 1 357.458 1.590 50 0 FDAAMO Cc1cc(C)c(C(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)c(=O)[nH]1 ZINC000082091681 524234745 /nfs/dbraw/zinc/23/47/45/524234745.db2.gz KAZJYMWXNKKGFQ-UHFFFAOYSA-N 1 1 371.485 1.980 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)N1CC[NH+](C)CC1 ZINC000084070245 524284787 /nfs/dbraw/zinc/28/47/87/524284787.db2.gz OUZAFCPRZLNYHG-ZDUSSCGKSA-N 1 1 354.458 1.924 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)CC2 ZINC000084169103 524289758 /nfs/dbraw/zinc/28/97/58/524289758.db2.gz IVXGWYGTPZULDJ-GOSISDBHSA-N 1 1 364.486 1.927 50 0 FDAAMO CC[N@@H+]1CCO[C@H](C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1 ZINC000174549263 524625574 /nfs/dbraw/zinc/62/55/74/524625574.db2.gz QCBMSHHKZRZZQD-IBGZPJMESA-N 1 1 371.481 1.791 50 0 FDAAMO CC[N@H+]1CCO[C@H](C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1 ZINC000174549263 524625580 /nfs/dbraw/zinc/62/55/80/524625580.db2.gz QCBMSHHKZRZZQD-IBGZPJMESA-N 1 1 371.481 1.791 50 0 FDAAMO CNc1nc(N2C[C@H](NC(=O)CCOC)[C@@H](C3CC3)C2)[nH+]c2c1CCC2 ZINC000091461747 524710437 /nfs/dbraw/zinc/71/04/37/524710437.db2.gz WODQIKDHEAHUGC-ZBFHGGJFSA-N 1 1 359.474 1.375 50 0 FDAAMO CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC000091486123 524715631 /nfs/dbraw/zinc/71/56/31/524715631.db2.gz IXOBGUVXQVFSBQ-UHFFFAOYSA-N 1 1 370.457 1.227 50 0 FDAAMO Cc1[nH]ccc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091493766 524716192 /nfs/dbraw/zinc/71/61/92/524716192.db2.gz JOMDEIRZIJNCNC-MRXNPFEDSA-N 1 1 358.486 1.872 50 0 FDAAMO Cn1c(C(N)=O)cc2c1CN(C(=O)[C@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC000091505206 524718746 /nfs/dbraw/zinc/71/87/46/524718746.db2.gz KHDNSXUCIPNPLP-HNNXBMFYSA-N 1 1 358.486 1.663 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC000091519276 524719796 /nfs/dbraw/zinc/71/97/96/524719796.db2.gz QWXWTLUNFUKGIH-CABCVRRESA-N 1 1 368.449 1.483 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cnc3ccccc3c2)C1 ZINC000091535414 524722557 /nfs/dbraw/zinc/72/25/57/524722557.db2.gz PXXIFZAZSORTCI-IAGOWNOFSA-N 1 1 371.481 1.884 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cnc3c(c2)CCCC3)C[C@]12CCNC(=O)CC2 ZINC000091548685 524723773 /nfs/dbraw/zinc/72/37/73/524723773.db2.gz BETDLSWLVHPNTM-FQEVSTJZSA-N 1 1 356.470 1.387 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3oc(C)cc3c2)C[C@@H]1CO ZINC000091665078 524755932 /nfs/dbraw/zinc/75/59/32/524755932.db2.gz LIRPSPKBVDEYLR-QZTJIDSGSA-N 1 1 360.454 2.000 50 0 FDAAMO Cn1c2ccccc2nc1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091677312 524760073 /nfs/dbraw/zinc/76/00/73/524760073.db2.gz JROKTHSWZRXGMH-QZTJIDSGSA-N 1 1 371.529 1.251 50 0 FDAAMO CN(C)c1ncc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)s1 ZINC000091707284 524765369 /nfs/dbraw/zinc/76/53/69/524765369.db2.gz NSTPVXHKWYYBGI-QGZVFWFLSA-N 1 1 351.520 1.338 50 0 FDAAMO C[N@H+]1CCN(C(=O)CCCOc2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000091951954 524818988 /nfs/dbraw/zinc/81/89/88/524818988.db2.gz AVDMDUMGEUMQGC-FQEVSTJZSA-N 1 1 359.470 1.659 50 0 FDAAMO CCC[C@H]1C[N@H+](Cc2cnc(NC(C)C)nc2)C[C@@H]1NS(C)(=O)=O ZINC000091997133 524825732 /nfs/dbraw/zinc/82/57/32/524825732.db2.gz LWXBWGCNTAXCLS-GJZGRUSLSA-N 1 1 355.508 1.447 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cnc(NC(C)C)nc2)C[C@@H]1NS(C)(=O)=O ZINC000091997133 524825743 /nfs/dbraw/zinc/82/57/43/524825743.db2.gz LWXBWGCNTAXCLS-GJZGRUSLSA-N 1 1 355.508 1.447 50 0 FDAAMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cnc(C3CC3)nc2C)[C@@H](C(C)C)C1 ZINC000092066249 524837445 /nfs/dbraw/zinc/83/74/45/524837445.db2.gz LTHXKGZPHLCIQE-CVEARBPZSA-N 1 1 359.474 1.095 50 0 FDAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2cnc(C3CC3)nc2C)[C@@H](C(C)C)C1 ZINC000092066249 524837452 /nfs/dbraw/zinc/83/74/52/524837452.db2.gz LTHXKGZPHLCIQE-CVEARBPZSA-N 1 1 359.474 1.095 50 0 FDAAMO Cc1[nH+]c(N)nc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c1CCC(=O)[O-] ZINC000095359506 525034502 /nfs/dbraw/zinc/03/45/02/525034502.db2.gz FLAPGWMAVONBDJ-HUUCEWRRSA-N 1 1 359.474 1.695 50 0 FDAAMO Cc1cccc([C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)[NH+](C)C)c1 ZINC000095365503 525040041 /nfs/dbraw/zinc/04/00/41/525040041.db2.gz SUYGAWIDECWIFT-SFHVURJKSA-N 1 1 354.454 1.910 50 0 FDAAMO O=C([C@H]1CC(=O)N(Cc2cccnc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000095376975 525048886 /nfs/dbraw/zinc/04/88/86/525048886.db2.gz LAJAFNRFHWFPQQ-SFHVURJKSA-N 1 1 370.497 1.907 50 0 FDAAMO COc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1=O ZINC000095376699 525048988 /nfs/dbraw/zinc/04/89/88/525048988.db2.gz PSHFIPKCQAPSCX-GDBMZVCRSA-N 1 1 368.437 1.515 50 0 FDAAMO COc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1=O ZINC000095376699 525048998 /nfs/dbraw/zinc/04/89/98/525048998.db2.gz PSHFIPKCQAPSCX-GDBMZVCRSA-N 1 1 368.437 1.515 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ccc4ncccc4c3)C[C@@H]2CO)CC1 ZINC000095380444 525055985 /nfs/dbraw/zinc/05/59/85/525055985.db2.gz JLXIHXZSBTYFAU-RTBURBONSA-N 1 1 368.481 1.163 50 0 FDAAMO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000095391071 525062562 /nfs/dbraw/zinc/06/25/62/525062562.db2.gz RPVHXTLZHHCTNW-HNNXBMFYSA-N 1 1 352.446 1.417 50 0 FDAAMO CC[N@@H+](Cc1cccc(OC)c1OC[C@@H](O)CN1CCOCC1)C1CC1 ZINC000095497073 525079775 /nfs/dbraw/zinc/07/97/75/525079775.db2.gz IZKMNJOLXSBJBE-SFHVURJKSA-N 1 1 364.486 1.751 50 0 FDAAMO COCC(=O)N1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)CC1 ZINC000095497665 525080373 /nfs/dbraw/zinc/08/03/73/525080373.db2.gz RTUGVDULLBFEFH-INIZCTEOSA-N 1 1 363.458 1.199 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000095499382 525083321 /nfs/dbraw/zinc/08/33/21/525083321.db2.gz KVJUYOITUDHDTG-QGZVFWFLSA-N 1 1 374.533 1.309 50 0 FDAAMO CCOc1ncccc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095505941 525088827 /nfs/dbraw/zinc/08/88/27/525088827.db2.gz FWCUNLKAFGHZGA-QGZVFWFLSA-N 1 1 355.438 1.799 50 0 FDAAMO CCOc1ncccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095505941 525088838 /nfs/dbraw/zinc/08/88/38/525088838.db2.gz FWCUNLKAFGHZGA-QGZVFWFLSA-N 1 1 355.438 1.799 50 0 FDAAMO CC(C)Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)[nH]c(=O)n1 ZINC000095510845 525093217 /nfs/dbraw/zinc/09/32/17/525093217.db2.gz QSJJSNIVQAJOKR-NVXWUHKLSA-N 1 1 358.486 1.915 50 0 FDAAMO COCCNC(=O)c1ccc(OC2CC[NH+](CC(N)=O)CC2)c(Cl)c1 ZINC000095523372 525101176 /nfs/dbraw/zinc/10/11/76/525101176.db2.gz SPKUUESAEOAYIX-UHFFFAOYSA-N 1 1 369.849 1.045 50 0 FDAAMO O[C@H]1CN(Cc2nc(C(F)(F)F)no2)CC[N@@H+](Cc2ccccc2)C1 ZINC000095527009 525103651 /nfs/dbraw/zinc/10/36/51/525103651.db2.gz ISAXEVWVQDESKG-CYBMUJFWSA-N 1 1 356.348 1.767 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2cnc(C)c2C)C[N@H+]1C1CCCC1 ZINC000096132138 525136146 /nfs/dbraw/zinc/13/61/46/525136146.db2.gz SMLOLHIBGRZCLE-RDJZCZTQSA-N 1 1 361.490 1.138 50 0 FDAAMO COc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000096133156 525136597 /nfs/dbraw/zinc/13/65/97/525136597.db2.gz VJWVNOCSERXVBE-OAHLLOKOSA-N 1 1 371.437 1.882 50 0 FDAAMO CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2cc(-c3ccccc3Cl)on2)C1 ZINC000096133693 525137350 /nfs/dbraw/zinc/13/73/50/525137350.db2.gz BAPPMYAGMZVXQD-KZULUSFZSA-N 1 1 360.845 1.762 50 0 FDAAMO Cc1nnsc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000096160638 525144196 /nfs/dbraw/zinc/14/41/96/525144196.db2.gz VBCXSSZTXLUZAW-UHFFFAOYSA-N 1 1 358.475 1.599 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2(c3ccccc3F)CC2)C[N@@H+]1C ZINC000096163637 525144562 /nfs/dbraw/zinc/14/45/62/525144562.db2.gz RMWRCLLDJGCLQW-YOEHRIQHSA-N 1 1 361.461 1.915 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2(c3ccccc3F)CC2)C[N@H+]1C ZINC000096163637 525144567 /nfs/dbraw/zinc/14/45/67/525144567.db2.gz RMWRCLLDJGCLQW-YOEHRIQHSA-N 1 1 361.461 1.915 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000096165665 525146876 /nfs/dbraw/zinc/14/68/76/525146876.db2.gz KAHOUJPVYYGUAS-AWEZNQCLSA-N 1 1 352.398 1.734 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000097602301 525188529 /nfs/dbraw/zinc/18/85/29/525188529.db2.gz TVQREMSIXLFZCC-MUPIXQSSSA-N 1 1 357.498 1.812 50 0 FDAAMO COCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)[nH]n1 ZINC000097604297 525189064 /nfs/dbraw/zinc/18/90/64/525189064.db2.gz NIUCWFGDIPCYEA-CQSZACIVSA-N 1 1 350.463 1.406 50 0 FDAAMO COCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)n[nH]1 ZINC000097604297 525189072 /nfs/dbraw/zinc/18/90/72/525189072.db2.gz NIUCWFGDIPCYEA-CQSZACIVSA-N 1 1 350.463 1.406 50 0 FDAAMO COCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)n[nH]1 ZINC000097604297 525189078 /nfs/dbraw/zinc/18/90/78/525189078.db2.gz NIUCWFGDIPCYEA-CQSZACIVSA-N 1 1 350.463 1.406 50 0 FDAAMO CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC000097655535 525190989 /nfs/dbraw/zinc/19/09/89/525190989.db2.gz OTZDSZWHOIXEON-SFHVURJKSA-N 1 1 370.497 1.834 50 0 FDAAMO Cc1ocnc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000097773224 525194891 /nfs/dbraw/zinc/19/48/91/525194891.db2.gz QFTKGKFHOIACGK-VDUSKEEQSA-N 1 1 352.438 1.280 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@H+](Cc1ccc(-n3cccn3)cc1C)CC2 ZINC000097756451 525195530 /nfs/dbraw/zinc/19/55/30/525195530.db2.gz MNENNGXSRKJMRU-UHFFFAOYSA-N 1 1 350.426 1.822 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](Cc1ccc(-n3cccn3)cc1C)CC2 ZINC000097756451 525195539 /nfs/dbraw/zinc/19/55/39/525195539.db2.gz MNENNGXSRKJMRU-UHFFFAOYSA-N 1 1 350.426 1.822 50 0 FDAAMO CN1CC[NH+](Cc2ccc(CNC(=O)N3CCOC4(CCC4)C3)cc2)CC1 ZINC000125587546 525216276 /nfs/dbraw/zinc/21/62/76/525216276.db2.gz DXHRPELQTLMXNU-UHFFFAOYSA-N 1 1 372.513 1.899 50 0 FDAAMO COc1cccc(CN2CCN(C(=O)CCCn3cc[nH+]c3C)CC2=O)c1 ZINC000082156977 525941497 /nfs/dbraw/zinc/94/14/97/525941497.db2.gz PKXHNMIPIHMFET-UHFFFAOYSA-N 1 1 370.453 1.851 50 0 FDAAMO Cc1ccc([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+](C)C)o1 ZINC000091650322 525953600 /nfs/dbraw/zinc/95/36/00/525953600.db2.gz YYGVFIZLAQTFSY-INIZCTEOSA-N 1 1 354.410 1.717 50 0 FDAAMO Cc1nn(CCO)cc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091526786 526281743 /nfs/dbraw/zinc/28/17/43/526281743.db2.gz WEOWFLPIUASXLA-YLJYHZDGSA-N 1 1 368.481 1.920 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000091305218 526883548 /nfs/dbraw/zinc/88/35/48/526883548.db2.gz MTBFVWFREFLBLW-QGZVFWFLSA-N 1 1 359.470 1.392 50 0 FDAAMO O=C(COc1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1)N1CCOCC1 ZINC000244701112 526949593 /nfs/dbraw/zinc/94/95/93/526949593.db2.gz KAJDODZHDWAUIQ-IBGZPJMESA-N 1 1 373.497 1.594 50 0 FDAAMO NC(=O)c1c2c(sc1NC(=O)NCCC[NH+]1CCOCC1)CCCC2 ZINC000020572751 527021944 /nfs/dbraw/zinc/02/19/44/527021944.db2.gz MLBPXCCLZZMODU-UHFFFAOYSA-N 1 1 366.487 1.570 50 0 FDAAMO O=C(Cc1ccc(F)cc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091594088 527232440 /nfs/dbraw/zinc/23/24/40/527232440.db2.gz KXSSFFRPVUIPJH-HUUCEWRRSA-N 1 1 370.852 1.421 50 0 FDAAMO O=C(Cc1ccccc1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC000082230610 527278494 /nfs/dbraw/zinc/27/84/94/527278494.db2.gz HVWVOWDILVJLMQ-UHFFFAOYSA-N 1 1 351.454 1.968 50 0 FDAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)C[NH+]1CCC(O)CC1 ZINC000020542958 527528011 /nfs/dbraw/zinc/52/80/11/527528011.db2.gz CUFCPPQGNDRUQH-UHFFFAOYSA-N 1 1 360.433 1.701 50 0 FDAAMO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019790677 527661512 /nfs/dbraw/zinc/66/15/12/527661512.db2.gz BAACYSBXMMPPIF-GOSISDBHSA-N 1 1 370.449 1.973 50 0 FDAAMO CCOc1ccc(NC(=O)c2cnc(N3CC[NH+](CC)CC3)nc2N)cc1 ZINC000065154831 535748930 /nfs/dbraw/zinc/74/89/30/535748930.db2.gz NUGLYBYPAIHZQF-UHFFFAOYSA-N 1 1 370.457 1.852 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1F ZINC000188502247 536294859 /nfs/dbraw/zinc/29/48/59/536294859.db2.gz ZJBKWNZIRKRLFS-CQSZACIVSA-N 1 1 367.465 1.863 50 0 FDAAMO COCc1cc(N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n2nccc2n1 ZINC000072417857 536725169 /nfs/dbraw/zinc/72/51/69/536725169.db2.gz XKKIYDLXWBNYNP-GASCZTMLSA-N 1 1 359.474 1.954 50 0 FDAAMO COc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071762923 536824044 /nfs/dbraw/zinc/82/40/44/536824044.db2.gz XQIQHEXLERLRNO-MRXNPFEDSA-N 1 1 373.501 1.788 50 0 FDAAMO O=C(NCC[N@H+]1CCCOCC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000189419493 537043972 /nfs/dbraw/zinc/04/39/72/537043972.db2.gz ROFCXRLQCLODKK-UHFFFAOYSA-N 1 1 372.469 1.883 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C(C)(C)O)C2)CC1 ZINC000072154622 537071062 /nfs/dbraw/zinc/07/10/62/537071062.db2.gz YFOZVXTYQOBZFO-INIZCTEOSA-N 1 1 361.486 1.579 50 0 FDAAMO COCCN1CCC[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)CC1=O ZINC000252498506 537250376 /nfs/dbraw/zinc/25/03/76/537250376.db2.gz RDOKGNBGSCFOTR-HNNXBMFYSA-N 1 1 361.442 1.088 50 0 FDAAMO COCCN1CCC[N@@H+](C[C@H](O)COc2cccc3[nH]ccc32)CC1=O ZINC000252498506 537250377 /nfs/dbraw/zinc/25/03/77/537250377.db2.gz RDOKGNBGSCFOTR-HNNXBMFYSA-N 1 1 361.442 1.088 50 0 FDAAMO c1c[nH]c([C@@H]([NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c2ccncc2)n1 ZINC000252584740 537251051 /nfs/dbraw/zinc/25/10/51/537251051.db2.gz CNMWHPMCXGOJRR-BZSNNMDCSA-N 1 1 357.458 1.221 50 0 FDAAMO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1CO ZINC000257189698 537252759 /nfs/dbraw/zinc/25/27/59/537252759.db2.gz NZAUEYZAWVWFSI-GXTWGEPZSA-N 1 1 358.360 1.904 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 ZINC000220387891 537487096 /nfs/dbraw/zinc/48/70/96/537487096.db2.gz ACOQHDWTUPJWGS-IAGOWNOFSA-N 1 1 352.406 1.201 50 0 FDAAMO CCCN1C(=O)N[C@@H](CC(=O)NCc2ccccc2-n2cc[nH+]c2C)C1=O ZINC000221214812 537495445 /nfs/dbraw/zinc/49/54/45/537495445.db2.gz GHVZLZMKWFLQQS-HNNXBMFYSA-N 1 1 369.425 1.517 50 0 FDAAMO Cc1[nH+]ccn1CC1CCN(C(=O)CSc2nnc(N)s2)CC1 ZINC000223200849 537518441 /nfs/dbraw/zinc/51/84/41/537518441.db2.gz HOTNDRQELJUIBR-UHFFFAOYSA-N 1 1 352.489 1.656 50 0 FDAAMO COc1ccccc1CN1C(=O)CC[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000223410324 537523961 /nfs/dbraw/zinc/52/39/61/537523961.db2.gz YDVYBZGPMJGJMK-KRWDZBQOSA-N 1 1 370.453 1.898 50 0 FDAAMO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)c2ccn(C(F)F)n2)CC1 ZINC000223635741 537532211 /nfs/dbraw/zinc/53/22/11/537532211.db2.gz DBIWNVJUANQAJO-CQSZACIVSA-N 1 1 355.433 1.910 50 0 FDAAMO CC[N@H+]1CCCN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CC1 ZINC000299775107 537594009 /nfs/dbraw/zinc/59/40/09/537594009.db2.gz GYDUWGSNBHMCFJ-UHFFFAOYSA-N 1 1 360.437 1.814 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[NH+]2CCC3(CCC(=O)N3C)CC2)cc1 ZINC000244873030 537654606 /nfs/dbraw/zinc/65/46/06/537654606.db2.gz WIYWTSPNOGFOBZ-UHFFFAOYSA-N 1 1 372.469 1.348 50 0 FDAAMO NC(=O)COCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426698451 538123985 /nfs/dbraw/zinc/12/39/85/538123985.db2.gz PAXZJPACAFXGLB-FQEVSTJZSA-N 1 1 359.470 1.046 50 0 FDAAMO COCCN(Cc1ccccc1OC)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000584884891 551564565 /nfs/dbraw/zinc/56/45/65/551564565.db2.gz LYOSFONSLVSOQM-QGZVFWFLSA-N 1 1 364.490 1.099 50 0 FDAAMO COC[C@H](c1ccccn1)N(C)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000584887930 551565194 /nfs/dbraw/zinc/56/51/94/551565194.db2.gz YLFDUXAHYYIUDS-QGZVFWFLSA-N 1 1 363.506 1.437 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)N2CCN(Cc3ccc(C)cc3)C(=O)C2)c1C ZINC000584900014 551566955 /nfs/dbraw/zinc/56/69/55/551566955.db2.gz ASCYROOTQIJJQY-UHFFFAOYSA-N 1 1 369.469 1.862 50 0 FDAAMO Cc1nccc(N(C)CC[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000585138283 551574940 /nfs/dbraw/zinc/57/49/40/551574940.db2.gz BCZCPYFFSWXOPM-UHFFFAOYSA-N 1 1 353.426 1.449 50 0 FDAAMO Cc1cnc(C)c(N2CCN(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)CC2)n1 ZINC000426490619 570608140 /nfs/dbraw/zinc/60/81/40/570608140.db2.gz SHPNEQVGQXCMHN-SFHVURJKSA-N 1 1 374.533 1.903 50 0 FDAAMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539696 570891534 /nfs/dbraw/zinc/89/15/34/570891534.db2.gz HJAQAHPSFSIRAR-LBPRGKRZSA-N 1 1 370.494 1.988 50 0 FDAAMO Cc1cn(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c(=O)[nH]c1=O ZINC000670470448 571042813 /nfs/dbraw/zinc/04/28/13/571042813.db2.gz YPJBDXOLYCCQGC-OAHLLOKOSA-N 1 1 374.416 1.177 50 0 FDAAMO Cc1cn(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(=O)[nH]c1=O ZINC000670470448 571042821 /nfs/dbraw/zinc/04/28/21/571042821.db2.gz YPJBDXOLYCCQGC-OAHLLOKOSA-N 1 1 374.416 1.177 50 0 FDAAMO Cc1noc([C@]23CN(Cc4nnc(C)n4C4CC4)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685941135 571100623 /nfs/dbraw/zinc/10/06/23/571100623.db2.gz SOFBLNGRSBWTKI-RDTXWAMCSA-N 1 1 357.462 1.318 50 0 FDAAMO COc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000252485164 571132227 /nfs/dbraw/zinc/13/22/27/571132227.db2.gz GOLOOZPKYVQBJQ-QZTJIDSGSA-N 1 1 355.438 1.384 50 0 FDAAMO COc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000252485164 571132228 /nfs/dbraw/zinc/13/22/28/571132228.db2.gz GOLOOZPKYVQBJQ-QZTJIDSGSA-N 1 1 355.438 1.384 50 0 FDAAMO Cc1nnc(SCCCNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)s1 ZINC000426513655 571137314 /nfs/dbraw/zinc/13/73/14/571137314.db2.gz MZAWIAPWRJQUTE-SNVBAGLBSA-N 1 1 352.489 1.739 50 0 FDAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000253536312 571137813 /nfs/dbraw/zinc/13/78/13/571137813.db2.gz MQNHOEUQBIWWPI-GFCCVEGCSA-N 1 1 351.410 1.892 50 0 FDAAMO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000299755106 571191829 /nfs/dbraw/zinc/19/18/29/571191829.db2.gz ACEPTGZRHNJVBX-SFHVURJKSA-N 1 1 361.490 1.324 50 0 FDAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299755106 571191832 /nfs/dbraw/zinc/19/18/32/571191832.db2.gz ACEPTGZRHNJVBX-SFHVURJKSA-N 1 1 361.490 1.324 50 0 FDAAMO CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000299755106 571191833 /nfs/dbraw/zinc/19/18/33/571191833.db2.gz ACEPTGZRHNJVBX-SFHVURJKSA-N 1 1 361.490 1.324 50 0 FDAAMO C[NH+](C)CCCOc1ccccc1CN1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299758611 571192872 /nfs/dbraw/zinc/19/28/72/571192872.db2.gz LDBRAGINBWRXDL-ICSRJNTNSA-N 1 1 371.485 1.954 50 0 FDAAMO CCc1noc(-c2ccccc2NC(=O)NC[C@H]2COCC[N@@H+](C)C2)n1 ZINC000299769120 571195577 /nfs/dbraw/zinc/19/55/77/571195577.db2.gz NBHWVEQYISPTFH-CYBMUJFWSA-N 1 1 359.430 1.999 50 0 FDAAMO O=C(c1cccnc1)N1CCC([N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1 ZINC000299772115 571195914 /nfs/dbraw/zinc/19/59/14/571195914.db2.gz YDWULKRXRVFBBS-ZWKOTPCHSA-N 1 1 368.441 1.124 50 0 FDAAMO CC(=O)Nc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2CO)ccc1F ZINC000299786468 571199626 /nfs/dbraw/zinc/19/96/26/571199626.db2.gz KRZVQTZNVBRZBP-AWEZNQCLSA-N 1 1 352.410 1.752 50 0 FDAAMO CCc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)cn1 ZINC000299785908 571199654 /nfs/dbraw/zinc/19/96/54/571199654.db2.gz MOSORODVOSOZJF-HZPDHXFCSA-N 1 1 359.430 1.009 50 0 FDAAMO CCc1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)cn1 ZINC000299785908 571199656 /nfs/dbraw/zinc/19/96/56/571199656.db2.gz MOSORODVOSOZJF-HZPDHXFCSA-N 1 1 359.430 1.009 50 0 FDAAMO CCn1nnc(-c2cccc(NC(=O)N3CC[NH+](CCOC)CC3)c2)n1 ZINC000299791080 571200781 /nfs/dbraw/zinc/20/07/81/571200781.db2.gz CKDZBMDUWPYMLZ-UHFFFAOYSA-N 1 1 359.434 1.156 50 0 FDAAMO Cn1cnnc1SCC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000299791853 571200932 /nfs/dbraw/zinc/20/09/32/571200932.db2.gz DOSSIRLDKUYGBQ-UHFFFAOYSA-N 1 1 357.483 1.219 50 0 FDAAMO OC1CN(c2nc(NCc3cncn3C3CC3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299795828 571202276 /nfs/dbraw/zinc/20/22/76/571202276.db2.gz LFCMZMLBTDOJPH-LBPRGKRZSA-N 1 1 356.430 1.305 50 0 FDAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299801712 571203315 /nfs/dbraw/zinc/20/33/15/571203315.db2.gz XHCMMLPNTCJBCN-ZWKOTPCHSA-N 1 1 353.426 1.009 50 0 FDAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299801712 571203317 /nfs/dbraw/zinc/20/33/17/571203317.db2.gz XHCMMLPNTCJBCN-ZWKOTPCHSA-N 1 1 353.426 1.009 50 0 FDAAMO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2O)o1 ZINC000426479165 571227557 /nfs/dbraw/zinc/22/75/57/571227557.db2.gz XKBFETOKTPLUKG-IAGOWNOFSA-N 1 1 358.442 1.101 50 0 FDAAMO Cc1n[nH]c(C)c1CCNC(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000426485708 571227819 /nfs/dbraw/zinc/22/78/19/571227819.db2.gz QNXUPQOZTQBTGD-UHFFFAOYSA-N 1 1 356.474 1.882 50 0 FDAAMO Cc1n[nH]c(C)c1CCNC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000426485708 571227821 /nfs/dbraw/zinc/22/78/21/571227821.db2.gz QNXUPQOZTQBTGD-UHFFFAOYSA-N 1 1 356.474 1.882 50 0 FDAAMO COc1ccc(C)cc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426509234 571229074 /nfs/dbraw/zinc/22/90/74/571229074.db2.gz CDNDXVWVSDOVPA-QZTJIDSGSA-N 1 1 373.453 1.974 50 0 FDAAMO COc1ccc(C)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426509234 571229076 /nfs/dbraw/zinc/22/90/76/571229076.db2.gz CDNDXVWVSDOVPA-QZTJIDSGSA-N 1 1 373.453 1.974 50 0 FDAAMO Cc1ccc(OC2CN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)cc1 ZINC000426510199 571229216 /nfs/dbraw/zinc/22/92/16/571229216.db2.gz UVAZCIKUHFYPHL-MRXNPFEDSA-N 1 1 374.485 1.355 50 0 FDAAMO O=C(NCCC[N@H+]1CCC[C@H](O)C1)N(CCO)Cc1ccccc1F ZINC000426593913 571232565 /nfs/dbraw/zinc/23/25/65/571232565.db2.gz YUSIXJAAJFUDDJ-INIZCTEOSA-N 1 1 353.438 1.176 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@@H](c1ccccc1C)[NH+](C)C)C2 ZINC000426690217 571235316 /nfs/dbraw/zinc/23/53/16/571235316.db2.gz BZXGHIRGKLHTIR-LJQANCHMSA-N 1 1 369.469 1.473 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000252537647 571282949 /nfs/dbraw/zinc/28/29/49/571282949.db2.gz LXZALAABOSERMO-MRXNPFEDSA-N 1 1 369.425 1.065 50 0 FDAAMO C[C@@H](CCc1ncnn1-c1ccc2c(c1)OCCO2)N1CC[NH+](C)CC1 ZINC000670438926 571348081 /nfs/dbraw/zinc/34/80/81/571348081.db2.gz MGUYJMFSYZXUNI-HNNXBMFYSA-N 1 1 357.458 1.607 50 0 FDAAMO COCCN(C)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000012111789 670610886 /nfs/dbraw/zinc/61/08/86/670610886.db2.gz OBIZPFYDJGKKGU-KRWDZBQOSA-N 1 1 354.516 1.553 50 0 FDAAMO COCC[N@H+](C)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000012111789 670610887 /nfs/dbraw/zinc/61/08/87/670610887.db2.gz OBIZPFYDJGKKGU-KRWDZBQOSA-N 1 1 354.516 1.553 50 0 FDAAMO COCC[N@@H+](C)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000012111789 670610891 /nfs/dbraw/zinc/61/08/91/670610891.db2.gz OBIZPFYDJGKKGU-KRWDZBQOSA-N 1 1 354.516 1.553 50 0 FDAAMO COc1cc(OC)c(CN2CC[NH+](CCO)CC2)cc1Br ZINC000023114784 670700745 /nfs/dbraw/zinc/70/07/45/670700745.db2.gz XTZGPAYZYOSBDK-UHFFFAOYSA-N 1 1 359.264 1.576 50 0 FDAAMO Cc1noc([C@H]2CC[N@H+](C3CCSCC3)C[C@H]2NC(=O)C2CC2)n1 ZINC000169782870 672041142 /nfs/dbraw/zinc/04/11/42/672041142.db2.gz IXVKHWBJSGHGJP-LSDHHAIUSA-N 1 1 350.488 1.958 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](CC)C3(CCOCC3)C2)cn1 ZINC000169787318 672041927 /nfs/dbraw/zinc/04/19/27/672041927.db2.gz RAAYVFNASYRZHC-UHFFFAOYSA-N 1 1 356.492 1.169 50 0 FDAAMO Cc1cccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1Cl ZINC000186121004 672268412 /nfs/dbraw/zinc/26/84/12/672268412.db2.gz QSQPFXVLITZMST-ZDUSSCGKSA-N 1 1 371.890 1.233 50 0 FDAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193995324 672377135 /nfs/dbraw/zinc/37/71/35/672377135.db2.gz ADIVSBQYRKEEPY-CYBMUJFWSA-N 1 1 350.444 1.316 50 0 FDAAMO CCC[C@@]1(CO)CC[N@@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000288698871 676041823 /nfs/dbraw/zinc/04/18/23/676041823.db2.gz DQZWJSOJPZBQOW-GOSISDBHSA-N 1 1 370.515 1.800 50 0 FDAAMO CC(C)(C)C(=O)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000023359905 785756438 /nfs/dbraw/zinc/75/64/38/785756438.db2.gz UZLSLWYNEATLFZ-WOJBJXKFSA-N 1 1 373.541 1.855 50 0 FDAAMO NC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1COc1ccncc1 ZINC000257188548 794004868 /nfs/dbraw/zinc/00/48/68/794004868.db2.gz MVSIONATTNICLW-FUHWJXTLSA-N 1 1 353.422 1.629 50 0 FDAAMO COc1ccccc1NC(=O)N1CC[C@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000257191675 794017457 /nfs/dbraw/zinc/01/74/57/794017457.db2.gz PXJVJJGJZVDBJE-AWEZNQCLSA-N 1 1 370.457 1.796 50 0 FDAAMO CN(C)C(=O)[C@]12CCS(=O)(=O)N(C)[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000675009836 795206227 /nfs/dbraw/zinc/20/62/27/795206227.db2.gz FWBIOFOMSBBSIQ-ZBFHGGJFSA-N 1 1 371.528 1.062 50 0 FDAAMO Cc1nnc([C@H]2CC[N@H+](CCc3cccnc3)CCN2C(=O)C(C)C)[nH]1 ZINC000675013058 795216396 /nfs/dbraw/zinc/21/63/96/795216396.db2.gz HBMXFHCCFGLBOK-QGZVFWFLSA-N 1 1 356.474 1.982 50 0 FDAAMO CC(C)[N@H+]1CC[C@H](N(C)c2ncnc3c2ncn3CC2(O)CCOCC2)C1 ZINC000888097807 808187003 /nfs/dbraw/zinc/18/70/03/808187003.db2.gz PJNWYWWJTVPTHF-HNNXBMFYSA-N 1 1 374.489 1.287 50 0 FDAAMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)[nH]n1 ZINC000426690309 811564779 /nfs/dbraw/zinc/56/47/79/811564779.db2.gz OGTSIUWRNKBALH-OAHLLOKOSA-N 1 1 373.505 1.183 50 0 FDAAMO O=C(NCCCCCN1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426690550 811564987 /nfs/dbraw/zinc/56/49/87/811564987.db2.gz HYSALCZZKLGDQN-UHFFFAOYSA-N 1 1 361.490 1.416 50 0 FDAAMO Cc1ccsc1C[N@@H+]1CCc2nc(N3CCN(C)CC3)[nH]c(=O)c2CC1 ZINC000169752191 855146988 /nfs/dbraw/zinc/14/69/88/855146988.db2.gz QFZVHBKTTMWOKE-UHFFFAOYSA-N 1 1 373.526 1.492 50 0 FDAAMO Cc1ccsc1C[N@H+]1CCc2nc(N3CCN(C)CC3)[nH]c(=O)c2CC1 ZINC000169752191 855146992 /nfs/dbraw/zinc/14/69/92/855146992.db2.gz QFZVHBKTTMWOKE-UHFFFAOYSA-N 1 1 373.526 1.492 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1cc(F)ccc1F ZINC000169790892 864528636 /nfs/dbraw/zinc/52/86/36/864528636.db2.gz NIZYJTITMNAXNL-FZKQIMNGSA-N 1 1 367.440 1.736 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1cc(F)ccc1F ZINC000169790892 864528646 /nfs/dbraw/zinc/52/86/46/864528646.db2.gz NIZYJTITMNAXNL-FZKQIMNGSA-N 1 1 367.440 1.736 50 0 FDAAMO Cc1ccn2cc(C(=O)N[C@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000011936670 872636354 /nfs/dbraw/zinc/63/63/54/872636354.db2.gz WSCZLADHSPZKCM-INIZCTEOSA-N 1 1 355.486 1.931 50 0 FDAAMO Cc1ccn2cc(C(=O)N[C@H]3CCC[N@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000011936670 872636361 /nfs/dbraw/zinc/63/63/61/872636361.db2.gz WSCZLADHSPZKCM-INIZCTEOSA-N 1 1 355.486 1.931 50 0 FDAAMO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2ccncc2)CC1 ZINC000011821732 873772928 /nfs/dbraw/zinc/77/29/28/873772928.db2.gz LHALLSGNTZFPJC-GOSISDBHSA-N 1 1 358.486 1.634 50 0 FDAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2ccncc2)CC1 ZINC000011821732 873772932 /nfs/dbraw/zinc/77/29/32/873772932.db2.gz LHALLSGNTZFPJC-GOSISDBHSA-N 1 1 358.486 1.634 50 0 FDAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2ccncc2)CC1 ZINC000011821731 873773081 /nfs/dbraw/zinc/77/30/81/873773081.db2.gz LHALLSGNTZFPJC-SFHVURJKSA-N 1 1 358.486 1.634 50 0 FDAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2ccncc2)CC1 ZINC000011821731 873773084 /nfs/dbraw/zinc/77/30/84/873773084.db2.gz LHALLSGNTZFPJC-SFHVURJKSA-N 1 1 358.486 1.634 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)C1=O ZINC000012112336 873835842 /nfs/dbraw/zinc/83/58/42/873835842.db2.gz ZMXQVMDUESXPKB-OAQYLSRUSA-N 1 1 371.481 1.834 50 0 FDAAMO C/C=C1/C[N@@H+]2[C@@H]3C[C@]45c6ccccc6N[C@@H]4[C@@H]2C[C@H]1[C@@]3(C(=O)OC)[C@H]5O ZINC000252310898 874123885 /nfs/dbraw/zinc/12/38/85/874123885.db2.gz RLUORQGMBKDXPO-BJJURMTRSA-N 1 1 352.434 1.675 50 0 endogenous,in-man FDAAMO C/C=C1/C[N@H+]2[C@@H]3C[C@]45c6ccccc6N[C@@H]4[C@@H]2C[C@H]1[C@@]3(C(=O)OC)[C@H]5O ZINC000252310898 874123890 /nfs/dbraw/zinc/12/38/90/874123890.db2.gz RLUORQGMBKDXPO-BJJURMTRSA-N 1 1 352.434 1.675 50 0 endogenous,in-man FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)C2(N3CCOCC3)CCCCC2)C1 ZINC000824390169 922941692 /nfs/dbraw/zinc/94/16/92/922941692.db2.gz BESOJXPBWQIAKL-GOSISDBHSA-N 1 1 367.534 1.496 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)/C=C/c2cnc(N(C)C)nc2)C[C@@H]1CCO ZINC000828747104 924932513 /nfs/dbraw/zinc/93/25/13/924932513.db2.gz DVIFSKANBTYXJS-RTRPANQVSA-N 1 1 361.490 1.107 50 0 FDAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1CO ZINC000581799332 927584543 /nfs/dbraw/zinc/58/45/43/927584543.db2.gz QWXUTRLAVJNHBC-UKRRQHHQSA-N 1 1 360.376 1.651 50 0 FDAAMO CCNC(=O)N1CCC([N@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802890 927588057 /nfs/dbraw/zinc/58/80/57/927588057.db2.gz RCTQTAUYZSISFL-KRWDZBQOSA-N 1 1 351.491 1.840 50 0 FDAAMO Cc1ccc(C(=O)N2CCC3(C[C@H](CN4CCOCC4)[N@@H+](C)C3)CC2)cn1 ZINC000581802749 927588113 /nfs/dbraw/zinc/58/81/13/927588113.db2.gz NKWCNUAZBJHCJJ-LJQANCHMSA-N 1 1 372.513 1.649 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccco1)CC2 ZINC000581802795 927588156 /nfs/dbraw/zinc/58/81/56/927588156.db2.gz OVDPIPCWOSQSIC-HNNXBMFYSA-N 1 1 361.442 1.065 50 0 FDAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1 ZINC000585080153 943757979 /nfs/dbraw/zinc/75/79/79/943757979.db2.gz KDRQUPHOYIQECF-LJQANCHMSA-N 1 1 374.529 1.863 50 0 FDAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000585081904 943783925 /nfs/dbraw/zinc/78/39/25/943783925.db2.gz XEHYLLPJIVEKOJ-MRXNPFEDSA-N 1 1 370.453 1.687 50 0 FDAAMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000585086002 943928460 /nfs/dbraw/zinc/92/84/60/943928460.db2.gz UEXOFLPSSLATRG-CYBMUJFWSA-N 1 1 360.426 1.778 50 0 FDAAMO CC(C)n1ccnc1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000952868811 960207860 /nfs/dbraw/zinc/20/78/60/960207860.db2.gz GWJOLWGMFLQOPY-HZPDHXFCSA-N 1 1 361.490 1.367 50 0 FDAAMO CCc1nc2cc(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1CC ZINC000952969997 960262844 /nfs/dbraw/zinc/26/28/44/960262844.db2.gz BIHSJEPYTIYTBI-CYBMUJFWSA-N 1 1 357.458 1.754 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2cc(OC)c(C)cc2C)C1 ZINC000952972671 960267024 /nfs/dbraw/zinc/26/70/24/960267024.db2.gz GILZXABHZBLZBH-INIZCTEOSA-N 1 1 370.515 1.901 50 0 FDAAMO Cc1nc(-c2cccc(NC(=O)C[C@@H]3C(=O)NCC[N@H+]3C(C)C)c2)n[nH]1 ZINC000952981039 960269237 /nfs/dbraw/zinc/26/92/37/960269237.db2.gz BOVCDWOCSUPYRD-OAHLLOKOSA-N 1 1 356.430 1.318 50 0 FDAAMO Cc1nc(-c2cccc(NC(=O)C[C@@H]3C(=O)NCC[N@@H+]3C(C)C)c2)n[nH]1 ZINC000952981039 960269242 /nfs/dbraw/zinc/26/92/42/960269242.db2.gz BOVCDWOCSUPYRD-OAHLLOKOSA-N 1 1 356.430 1.318 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@H]1CCO ZINC000952989152 960313018 /nfs/dbraw/zinc/31/30/18/960313018.db2.gz SWDAHLPCPYOWRG-OAHLLOKOSA-N 1 1 357.458 1.637 50 0 FDAAMO CC(C)C[N@@H+]1CCN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@H]1CCO ZINC000952989152 960313029 /nfs/dbraw/zinc/31/30/29/960313029.db2.gz SWDAHLPCPYOWRG-OAHLLOKOSA-N 1 1 357.458 1.637 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@H]1CCO ZINC000952989152 960313043 /nfs/dbraw/zinc/31/30/43/960313043.db2.gz SWDAHLPCPYOWRG-OAHLLOKOSA-N 1 1 357.458 1.637 50 0 FDAAMO COc1cc(C(=O)N[C@@H](C)c2nn[nH]n2)ccc1OC1CC[NH+](C)CC1 ZINC000095505894 1013956462 /nfs/dbraw/zinc/95/64/62/1013956462.db2.gz MSEGYVVNQYHVBC-NSHDSACASA-N 1 1 360.418 1.172 50 0 FDAAMO Nc1nc(NCCO)cc(-c2cccc(C(=O)N3CCCCCC3)c2)[nH+]1 ZINC000534592250 540387675 /nfs/dbraw/zinc/38/76/75/540387675.db2.gz VPQTZODRASMWHC-UHFFFAOYSA-N 1 1 355.442 1.568 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3cc[nH]n3)[C@H]1C[C@H](NC(=O)C1CCOCC1)CC2 ZINC000534656093 540395204 /nfs/dbraw/zinc/39/52/04/540395204.db2.gz CMHYTLYYYFFPAM-HHXXYDBFSA-N 1 1 362.474 1.465 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1 ZINC000534666909 540397552 /nfs/dbraw/zinc/39/75/52/540397552.db2.gz CVDJZFDJFPOVRL-SFHVURJKSA-N 1 1 369.469 1.510 50 0 FDAAMO O=c1cc(C[N@H+](C/C=C/c2ccccc2)CCO)nc2c(O)cccn12 ZINC000299766500 203756565 /nfs/dbraw/zinc/75/65/65/203756565.db2.gz OPSCRLFMABFKHL-XBXARRHUSA-N 1 1 351.406 1.908 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000245342964 203905792 /nfs/dbraw/zinc/90/57/92/203905792.db2.gz AIFQLANRLDQALE-SJORKVTESA-N 1 1 373.563 1.819 50 0 FDAAMO C/C=C/CN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(C/C=C/C)c3=O ZINC000010337148 204009305 /nfs/dbraw/zinc/00/93/05/204009305.db2.gz INEPTYIPHOUUMH-IQWIHVJWSA-N 1 1 356.430 1.806 50 0 FDAAMO CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC)C1 ZINC000004712190 204157425 /nfs/dbraw/zinc/15/74/25/204157425.db2.gz UXFNABCREKYRFI-MRXNPFEDSA-N 1 1 361.552 1.676 50 0 FDAAMO CCCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000004710719 204157756 /nfs/dbraw/zinc/15/77/56/204157756.db2.gz BFVZSKMECAQMBP-KRWDZBQOSA-N 1 1 361.486 1.892 50 0 FDAAMO Cc1nc2c(ncn2-c2ccccc2)c(=O)n1NC(=O)C[NH+]1CCCC1 ZINC000004335412 204134058 /nfs/dbraw/zinc/13/40/58/204134058.db2.gz VDBWGKSCECXGPH-UHFFFAOYSA-N 1 1 352.398 1.057 50 0 FDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(c2c(=O)c(=O)c2-c2ccccc2)CC1 ZINC000006892914 204280402 /nfs/dbraw/zinc/28/04/02/204280402.db2.gz AAXSHVAAIQRNOY-UHFFFAOYSA-N 1 1 367.449 1.260 50 0 FDAAMO Cc1ccc(NC(=O)C[NH+]2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000010051296 204390414 /nfs/dbraw/zinc/39/04/14/204390414.db2.gz HFISEQVHOWPIMQ-UHFFFAOYSA-N 1 1 367.471 1.050 50 0 FDAAMO CC(C)[C@H]1NC(=O)[C@H]2C[N@H+](Cc3cccc4cccnc43)CCN2C1=O ZINC000014747544 204587607 /nfs/dbraw/zinc/58/76/07/204587607.db2.gz GHXVERVBUHXWKS-IAGOWNOFSA-N 1 1 352.438 1.402 50 0 FDAAMO CC(C)[C@H]1NC(=O)[C@H]2C[N@@H+](Cc3cccc4cccnc43)CCN2C1=O ZINC000014747544 204587609 /nfs/dbraw/zinc/58/76/09/204587609.db2.gz GHXVERVBUHXWKS-IAGOWNOFSA-N 1 1 352.438 1.402 50 0 FDAAMO CC[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019797213 204709724 /nfs/dbraw/zinc/70/97/24/204709724.db2.gz UPAMWYIETRQGAL-BPNCWPANSA-N 1 1 365.904 1.667 50 0 FDAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C[C@@H](C)O1 ZINC000025099952 204831559 /nfs/dbraw/zinc/83/15/59/204831559.db2.gz DRSFGUKYQBMZOO-CPUCHLNUSA-N 1 1 366.483 1.213 50 0 FDAAMO Cc1cc(=O)n2nc(NCc3ccc(C[NH+]4CCOCC4)cc3)sc2n1 ZINC000040049468 205051237 /nfs/dbraw/zinc/05/12/37/205051237.db2.gz CJQCVGPBUROVFB-UHFFFAOYSA-N 1 1 371.466 1.904 50 0 FDAAMO Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1-n1cnnn1 ZINC000040104918 205055247 /nfs/dbraw/zinc/05/52/47/205055247.db2.gz WXGGOELSFBKGOY-OAHLLOKOSA-N 1 1 355.402 1.988 50 0 FDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1 ZINC000046141030 205132996 /nfs/dbraw/zinc/13/29/96/205132996.db2.gz RNKSORBEQXUAMG-UHFFFAOYSA-N 1 1 359.517 1.225 50 0 FDAAMO Cc1cc(=O)n2nc(NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)sc2n1 ZINC000048310860 205157864 /nfs/dbraw/zinc/15/78/64/205157864.db2.gz ZEYMFWJAMLZCQO-RYUDHWBXSA-N 1 1 351.476 1.759 50 0 FDAAMO O=C(c1ccccc1Cl)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000046140832 205132556 /nfs/dbraw/zinc/13/25/56/205132556.db2.gz CZAZTWKYYVLTDV-UHFFFAOYSA-N 1 1 371.890 1.180 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCNC(=O)c2ccoc2)ccn1 ZINC000053397978 205193634 /nfs/dbraw/zinc/19/36/34/205193634.db2.gz UOUTXLJSOODWGG-UHFFFAOYSA-N 1 1 353.382 1.605 50 0 FDAAMO Cc1ccc([C@@H](CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000058264602 205267628 /nfs/dbraw/zinc/26/76/28/205267628.db2.gz MRMRMWUUXVXFFZ-HZPDHXFCSA-N 1 1 370.540 1.634 50 0 FDAAMO CCC[C@H]1CC[N@@H+](Cc2cn(C3CCN(S(=O)(=O)CC)CC3)nn2)C1 ZINC000063832688 205293566 /nfs/dbraw/zinc/29/35/66/205293566.db2.gz JYTPJUAOXIUIMJ-HNNXBMFYSA-N 1 1 369.535 1.887 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776107 205304965 /nfs/dbraw/zinc/30/49/65/205304965.db2.gz ZTZDMZPIZWNSNL-MRXNPFEDSA-N 1 1 367.453 1.613 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775982 205305083 /nfs/dbraw/zinc/30/50/83/205305083.db2.gz YIXSOXBIGUEPBW-CQSZACIVSA-N 1 1 367.453 1.613 50 0 FDAAMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(C)n1C ZINC000064923184 205309931 /nfs/dbraw/zinc/30/99/31/205309931.db2.gz AHCDVMCAOUCWBB-ZDUSSCGKSA-N 1 1 371.503 1.520 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065461006 205351935 /nfs/dbraw/zinc/35/19/35/205351935.db2.gz FZQLDATVLHSGDD-CYBMUJFWSA-N 1 1 370.457 1.699 50 0 FDAAMO CN(Cc1ccnc2ccccc12)c1cc(N2CC[NH+](C)CC2)nc(N)n1 ZINC000065492367 205354895 /nfs/dbraw/zinc/35/48/95/205354895.db2.gz ILWXJTAFPQFRBH-UHFFFAOYSA-N 1 1 363.469 1.995 50 0 FDAAMO Cc1nc(NCCNC(=O)c2ccccc2F)cc(N2CCOCC2)[nH+]1 ZINC000065364841 205339091 /nfs/dbraw/zinc/33/90/91/205339091.db2.gz UFMFECKSCZSIQM-UHFFFAOYSA-N 1 1 359.405 1.603 50 0 FDAAMO CC(=O)N1CCCN(CCn2cc(C[NH2+]Cc3ccccc3)cn2)CC1 ZINC000065397229 205345983 /nfs/dbraw/zinc/34/59/83/205345983.db2.gz SHONIYNVOZJIOX-UHFFFAOYSA-N 1 1 355.486 1.727 50 0 FDAAMO CCOc1ccc([C@@H]2NC(=O)N=C(C[NH+]3CCCC3)C2C(=O)OC)cc1 ZINC000067287141 205369807 /nfs/dbraw/zinc/36/98/07/205369807.db2.gz CZXVJDKVOTVART-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCC[NH+](C)C)[C@H](c2ccc(F)cc2)[N@H+]1C ZINC000067587405 205376385 /nfs/dbraw/zinc/37/63/85/205376385.db2.gz BGTDMYHWDQMEAY-BXWFABGCSA-N 1 1 365.449 1.730 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000067601977 205376401 /nfs/dbraw/zinc/37/64/01/205376401.db2.gz RIIXVVDGWZQJLX-UHFFFAOYSA-N 1 1 361.471 1.776 50 0 FDAAMO Cc1nc(-n2cccn2)cc(NCCNC(=O)c2ccc3c(c2)OCO3)[nH+]1 ZINC000067612847 205376650 /nfs/dbraw/zinc/37/66/50/205376650.db2.gz VIZPTRDIHXILNQ-UHFFFAOYSA-N 1 1 366.381 1.541 50 0 FDAAMO Cc1ccc(-n2cccn2)c(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1 ZINC000067675727 205381477 /nfs/dbraw/zinc/38/14/77/205381477.db2.gz NSWAADOBKCXRLF-UHFFFAOYSA-N 1 1 367.497 1.967 50 0 FDAAMO Cc1ccc(-n2cccn2)c(C[NH+]2CCC3(CC2)C(=O)NCCCN3C)c1 ZINC000067675727 205381481 /nfs/dbraw/zinc/38/14/81/205381481.db2.gz NSWAADOBKCXRLF-UHFFFAOYSA-N 1 1 367.497 1.967 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@@H+]3CCC[C@@H]3C(N)=O)cc2c(OC)c1OC ZINC000067694712 205383880 /nfs/dbraw/zinc/38/38/80/205383880.db2.gz IQVCIRWVZGZOEB-CYBMUJFWSA-N 1 1 361.398 1.004 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@H+]3CCC[C@@H]3C(N)=O)cc2c(OC)c1OC ZINC000067694712 205383884 /nfs/dbraw/zinc/38/38/84/205383884.db2.gz IQVCIRWVZGZOEB-CYBMUJFWSA-N 1 1 361.398 1.004 50 0 FDAAMO CN1Cc2ccccc2C[C@@H]1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000067739742 205388122 /nfs/dbraw/zinc/38/81/22/205388122.db2.gz HZKLSTPBDODZCD-GOSISDBHSA-N 1 1 351.516 1.399 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC(Cc2nn(C)c(=O)n2-c2ccccc2)CC1 ZINC000067804727 205391671 /nfs/dbraw/zinc/39/16/71/205391671.db2.gz FZAFPKUKZBPEPN-UHFFFAOYSA-N 1 1 371.485 1.304 50 0 FDAAMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067803486 205393167 /nfs/dbraw/zinc/39/31/67/205393167.db2.gz YOOLMPYLYGMIJO-QGZVFWFLSA-N 1 1 350.463 1.044 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067803486 205393172 /nfs/dbraw/zinc/39/31/72/205393172.db2.gz YOOLMPYLYGMIJO-QGZVFWFLSA-N 1 1 350.463 1.044 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)N3CCOc4ccccc4C3)no2)CC1 ZINC000067842034 205396231 /nfs/dbraw/zinc/39/62/31/205396231.db2.gz RAFPOGHYXOVGCM-UHFFFAOYSA-N 1 1 370.453 1.847 50 0 FDAAMO CN(C)c1ncnc2c1CCN(C(=O)[C@H](c1cccnc1)[NH+]1CCCC1)C2 ZINC000072124169 205470489 /nfs/dbraw/zinc/47/04/89/205470489.db2.gz SFRRYAGRRQRHHY-SFHVURJKSA-N 1 1 366.469 1.659 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000077286404 205586128 /nfs/dbraw/zinc/58/61/28/205586128.db2.gz PPACKYMQWDOGEY-UHFFFAOYSA-N 1 1 370.453 1.829 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H](c3cccc(C)c3)[NH+](C)C)CC2)no1 ZINC000092022610 205711810 /nfs/dbraw/zinc/71/18/10/205711810.db2.gz AZOGPHVIMAFAQO-GOSISDBHSA-N 1 1 357.458 1.634 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](C[C@@H](C)Cc1ccc3c(c1)OCO3)CC2 ZINC000097602142 205917060 /nfs/dbraw/zinc/91/70/60/205917060.db2.gz MMAMSZICEADHOY-LBPRGKRZSA-N 1 1 356.426 1.735 50 0 FDAAMO CNC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000102616644 205975560 /nfs/dbraw/zinc/97/55/60/205975560.db2.gz WIEDBYOFJAMOKZ-HNNXBMFYSA-N 1 1 363.845 1.426 50 0 FDAAMO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000106762936 206016076 /nfs/dbraw/zinc/01/60/76/206016076.db2.gz JHPKCXRGBNHINM-NJAFHUGGSA-N 1 1 354.454 1.741 50 0 FDAAMO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000106762936 206016079 /nfs/dbraw/zinc/01/60/79/206016079.db2.gz JHPKCXRGBNHINM-NJAFHUGGSA-N 1 1 354.454 1.741 50 0 FDAAMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(C)s1 ZINC000107409564 206019902 /nfs/dbraw/zinc/01/99/02/206019902.db2.gz AEVLZWAZIRZDAT-MRXNPFEDSA-N 1 1 371.528 1.340 50 0 FDAAMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(C)s1 ZINC000107409564 206019907 /nfs/dbraw/zinc/01/99/07/206019907.db2.gz AEVLZWAZIRZDAT-MRXNPFEDSA-N 1 1 371.528 1.340 50 0 FDAAMO C[N@H+]1CCN(Cc2c[nH]c(CC3CCCC3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107666886 206021351 /nfs/dbraw/zinc/02/13/51/206021351.db2.gz XUQBJVMOZKWLID-HXUWFJFHSA-N 1 1 359.518 1.929 50 0 FDAAMO C[N@@H+]1CCN(Cc2cnc(CC3CCCC3)[nH]2)C[C@@]12CCNC(=O)CC2 ZINC000107666886 206021355 /nfs/dbraw/zinc/02/13/55/206021355.db2.gz XUQBJVMOZKWLID-HXUWFJFHSA-N 1 1 359.518 1.929 50 0 FDAAMO C[N@H+]1CCN(Cc2cnc(CC3CCCC3)[nH]2)C[C@@]12CCNC(=O)CC2 ZINC000107666886 206021361 /nfs/dbraw/zinc/02/13/61/206021361.db2.gz XUQBJVMOZKWLID-HXUWFJFHSA-N 1 1 359.518 1.929 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C[C@H](C)O ZINC000108352028 206314614 /nfs/dbraw/zinc/31/46/14/206314614.db2.gz JFEZKAHGFPARER-XDVIXQCFSA-N 1 1 352.500 1.482 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@H+]1C[C@H](C)O ZINC000108352028 206314616 /nfs/dbraw/zinc/31/46/16/206314616.db2.gz JFEZKAHGFPARER-XDVIXQCFSA-N 1 1 352.500 1.482 50 0 FDAAMO CC(C)(C)NC(=O)C(=O)NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000016847335 206319893 /nfs/dbraw/zinc/31/98/93/206319893.db2.gz GKWPBBGKKYRQOX-QGZVFWFLSA-N 1 1 361.486 1.871 50 0 FDAAMO CC(C)(C)NC(=O)C(=O)NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000016847335 206319898 /nfs/dbraw/zinc/31/98/98/206319898.db2.gz GKWPBBGKKYRQOX-QGZVFWFLSA-N 1 1 361.486 1.871 50 0 FDAAMO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000215042416 206344449 /nfs/dbraw/zinc/34/44/49/206344449.db2.gz SMUFCYLPZNUERF-SFHVURJKSA-N 1 1 362.437 1.882 50 0 FDAAMO O=C1CC[N@H+](Cc2cccc(OCCCCN3CCOCC3)c2)CCN1 ZINC000216187961 206356695 /nfs/dbraw/zinc/35/66/95/206356695.db2.gz SKWKPUKZDGTAKU-UHFFFAOYSA-N 1 1 361.486 1.500 50 0 FDAAMO O=C1CC[N@@H+](Cc2cccc(OCCCCN3CCOCC3)c2)CCN1 ZINC000216187961 206356699 /nfs/dbraw/zinc/35/66/99/206356699.db2.gz SKWKPUKZDGTAKU-UHFFFAOYSA-N 1 1 361.486 1.500 50 0 FDAAMO Cn1ccnc1CN(C(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C)C1CC1 ZINC000218965754 206376656 /nfs/dbraw/zinc/37/66/56/206376656.db2.gz LSTUNLGRODLVTF-GOSISDBHSA-N 1 1 356.426 1.943 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC000022516550 206379245 /nfs/dbraw/zinc/37/92/45/206379245.db2.gz XVTWSZNTGMSZDC-IBGZPJMESA-N 1 1 372.513 1.192 50 0 FDAAMO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)C1 ZINC000220057803 206397646 /nfs/dbraw/zinc/39/76/46/206397646.db2.gz HULGZUIIFHJSHC-BEFAXECRSA-N 1 1 358.442 1.374 50 0 FDAAMO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c2ccccc2n1 ZINC000023105399 206399862 /nfs/dbraw/zinc/39/98/62/206399862.db2.gz JZCNTXJLCWMSHT-UHFFFAOYSA-N 1 1 356.426 1.320 50 0 FDAAMO Cc1ccc2cc(C[N@@H+]3CCOC[C@H](O)C3)c(N3CCOCC3)nc2c1 ZINC000077319511 132180821 /nfs/dbraw/zinc/18/08/21/132180821.db2.gz OHPAIAIPKNFOPE-GOSISDBHSA-N 1 1 357.454 1.573 50 0 FDAAMO Cc1ccc2cc(C[N@H+]3CCOC[C@H](O)C3)c(N3CCOCC3)nc2c1 ZINC000077319511 132180822 /nfs/dbraw/zinc/18/08/22/132180822.db2.gz OHPAIAIPKNFOPE-GOSISDBHSA-N 1 1 357.454 1.573 50 0 FDAAMO O=C1N(CCO)CCC[C@@]12CC[N@H+](C1CCN(c3ccccc3)CC1)C2 ZINC000091254834 132200887 /nfs/dbraw/zinc/20/08/87/132200887.db2.gz IBNAZYFYSRBCIC-NRFANRHFSA-N 1 1 357.498 1.962 50 0 FDAAMO Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)n1 ZINC000095358353 132207485 /nfs/dbraw/zinc/20/74/85/132207485.db2.gz BMJFNHIWXQARTF-IBGZPJMESA-N 1 1 365.481 1.799 50 0 FDAAMO Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)n1 ZINC000095358353 132207487 /nfs/dbraw/zinc/20/74/87/132207487.db2.gz BMJFNHIWXQARTF-IBGZPJMESA-N 1 1 365.481 1.799 50 0 FDAAMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(C(=O)N3CCOCC3)ccn2)C1 ZINC000095505193 132212506 /nfs/dbraw/zinc/21/25/06/132212506.db2.gz JXIPRZFDYYNHPC-MRXNPFEDSA-N 1 1 355.442 1.672 50 0 FDAAMO C[NH+]1CCN([C@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)CC1 ZINC000100566264 132232631 /nfs/dbraw/zinc/23/26/31/132232631.db2.gz IPLCBLTWUNHPBG-SFHVURJKSA-N 1 1 356.470 1.556 50 0 FDAAMO CN(Cc1nc(-c2cccnc2)no1)c1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000106263272 132240148 /nfs/dbraw/zinc/24/01/48/132240148.db2.gz WOXGFNIHTILYGJ-CQSZACIVSA-N 1 1 367.413 1.519 50 0 FDAAMO COc1ccc(C[N@@H+]2CCN(c3nccc(N)n3)C[C@H]2CCO)cc1C ZINC000107011876 132266528 /nfs/dbraw/zinc/26/65/28/132266528.db2.gz XVTHZMBDAZNMDU-MRXNPFEDSA-N 1 1 357.458 1.449 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(c3nccc(N)n3)C[C@H]2CCO)cc1C ZINC000107011876 132266529 /nfs/dbraw/zinc/26/65/29/132266529.db2.gz XVTHZMBDAZNMDU-MRXNPFEDSA-N 1 1 357.458 1.449 50 0 FDAAMO COc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)ncn1 ZINC000230163755 132288953 /nfs/dbraw/zinc/28/89/53/132288953.db2.gz FXHBQOKBLRBXLS-LJQANCHMSA-N 1 1 359.474 1.398 50 0 FDAAMO C[N@H+](CCOc1cccc(F)c1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000053186734 136124795 /nfs/dbraw/zinc/12/47/95/136124795.db2.gz FBQOSAJGQPBSNQ-UHFFFAOYSA-N 1 1 373.432 1.275 50 0 FDAAMO C[N@@H+](CCOc1cccc(F)c1)CC(=O)N1CCN(c2cnccn2)CC1 ZINC000053186734 136124796 /nfs/dbraw/zinc/12/47/96/136124796.db2.gz FBQOSAJGQPBSNQ-UHFFFAOYSA-N 1 1 373.432 1.275 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000055326475 136126559 /nfs/dbraw/zinc/12/65/59/136126559.db2.gz NJSSDOAUYGSXKH-UHFFFAOYSA-N 1 1 369.425 1.712 50 0 FDAAMO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH2+][C@H](C(N)=O)C3)c2c1C ZINC000057423102 136129232 /nfs/dbraw/zinc/12/92/32/136129232.db2.gz ZPMYENOBACQPNN-ZDUSSCGKSA-N 1 1 368.466 1.634 50 0 FDAAMO Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 ZINC000071419191 136139069 /nfs/dbraw/zinc/13/90/69/136139069.db2.gz CCEUMUADRGITFV-AWEZNQCLSA-N 1 1 358.490 1.327 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 ZINC000071419191 136139070 /nfs/dbraw/zinc/13/90/70/136139070.db2.gz CCEUMUADRGITFV-AWEZNQCLSA-N 1 1 358.490 1.327 50 0 FDAAMO Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc(N)n1 ZINC000071589743 136139489 /nfs/dbraw/zinc/13/94/89/136139489.db2.gz GFMOCDLXHLLVMI-INIZCTEOSA-N 1 1 372.517 1.670 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc(N)n1 ZINC000071589743 136139490 /nfs/dbraw/zinc/13/94/90/136139490.db2.gz GFMOCDLXHLLVMI-INIZCTEOSA-N 1 1 372.517 1.670 50 0 FDAAMO Nc1nccc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071757112 136140524 /nfs/dbraw/zinc/14/05/24/136140524.db2.gz MQVACCDWJSEZGZ-OAHLLOKOSA-N 1 1 358.490 1.362 50 0 FDAAMO Cc1ccc(C(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000072115691 136142044 /nfs/dbraw/zinc/14/20/44/136142044.db2.gz ZVTCPSYFKXJNAB-UHFFFAOYSA-N 1 1 367.453 1.584 50 0 FDAAMO COc1ccccc1N1CCC([N@H+]2CCN[C@H](C(=O)NC3CC3)C2)CC1 ZINC000072131908 136142089 /nfs/dbraw/zinc/14/20/89/136142089.db2.gz WGRTUQBVUDYNDN-KRWDZBQOSA-N 1 1 358.486 1.216 50 0 FDAAMO CCN(C)C(=O)C[N@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072137283 136142514 /nfs/dbraw/zinc/14/25/14/136142514.db2.gz WPHZATLRXKMPTP-SFHVURJKSA-N 1 1 374.529 1.760 50 0 FDAAMO CCN(C)C(=O)CN1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072137283 136142516 /nfs/dbraw/zinc/14/25/16/136142516.db2.gz WPHZATLRXKMPTP-SFHVURJKSA-N 1 1 374.529 1.760 50 0 FDAAMO OC[C@@]1(O)CCC[N@@H+](Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000072430253 136146868 /nfs/dbraw/zinc/14/68/68/136146868.db2.gz PTPWLAUOPIHHGP-HXUWFJFHSA-N 1 1 357.454 1.391 50 0 FDAAMO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000092771765 172304576 /nfs/dbraw/zinc/30/45/76/172304576.db2.gz BIYHJTVKFPAHHR-DLBZAZTESA-N 1 1 365.499 1.191 50 0 FDAAMO C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000332048837 259237511 /nfs/dbraw/zinc/23/75/11/259237511.db2.gz LEOJOKCWBGXYBX-JKSUJKDBSA-N 1 1 361.490 1.787 50 0 FDAAMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CC[C@](F)(CO)C1 ZINC000332727656 259290421 /nfs/dbraw/zinc/29/04/21/259290421.db2.gz SSAVCCVYGSVWJT-IEBWSBKVSA-N 1 1 365.449 1.393 50 0 FDAAMO OC[C@@]1(c2ccccc2)CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000374589353 261158096 /nfs/dbraw/zinc/15/80/96/261158096.db2.gz ZPVWOLZAOXEHAI-HXUWFJFHSA-N 1 1 354.454 1.844 50 0 FDAAMO CC(C)OCC[NH2+]Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000011998331 518581505 /nfs/dbraw/zinc/58/15/05/518581505.db2.gz YFXVTUTXDBELKI-SFHVURJKSA-N 1 1 368.543 1.990 50 0 FDAAMO CCc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1 ZINC000012217945 518596881 /nfs/dbraw/zinc/59/68/81/518596881.db2.gz DWNVGZCCWXGFQX-GOSISDBHSA-N 1 1 371.485 1.742 50 0 FDAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000012990629 518646351 /nfs/dbraw/zinc/64/63/51/518646351.db2.gz UAAOGIXGFFQODY-INIZCTEOSA-N 1 1 358.438 1.963 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21c2cc(F)ccc2NC1=O ZINC000013575342 518661834 /nfs/dbraw/zinc/66/18/34/518661834.db2.gz XWLQFAKSDIEBEW-KXBZBNQCSA-N 1 1 371.412 1.851 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21c2cc(F)ccc2NC1=O ZINC000013575342 518661840 /nfs/dbraw/zinc/66/18/40/518661840.db2.gz XWLQFAKSDIEBEW-KXBZBNQCSA-N 1 1 371.412 1.851 50 0 FDAAMO COc1ccc2c(C)c(CCC(=O)N3CC[NH+](CCO)CC3)c(=O)oc2c1 ZINC000013623518 518662226 /nfs/dbraw/zinc/66/22/26/518662226.db2.gz UQXXPKQVODGGBL-UHFFFAOYSA-N 1 1 374.437 1.179 50 0 FDAAMO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000014967595 518702524 /nfs/dbraw/zinc/70/25/24/518702524.db2.gz YVNFQZXUVJMLMN-HNNXBMFYSA-N 1 1 369.487 1.066 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015063759 518707494 /nfs/dbraw/zinc/70/74/94/518707494.db2.gz SWGLXKNEVWXSCV-INIZCTEOSA-N 1 1 360.433 1.953 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015063759 518707499 /nfs/dbraw/zinc/70/74/99/518707499.db2.gz SWGLXKNEVWXSCV-INIZCTEOSA-N 1 1 360.433 1.953 50 0 FDAAMO C1CCC(Nc2nc3nonc3nc2N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000019594706 518820504 /nfs/dbraw/zinc/82/05/04/518820504.db2.gz FEYSPUOPIDECRJ-UHFFFAOYSA-N 1 1 373.461 1.668 50 0 FDAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019793575 518836417 /nfs/dbraw/zinc/83/64/17/518836417.db2.gz MTNVVUMCDIGLFN-UHFFFAOYSA-N 1 1 356.470 1.833 50 0 FDAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019793575 518836429 /nfs/dbraw/zinc/83/64/29/518836429.db2.gz MTNVVUMCDIGLFN-UHFFFAOYSA-N 1 1 356.470 1.833 50 0 FDAAMO Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000019810085 518838494 /nfs/dbraw/zinc/83/84/94/518838494.db2.gz GKPOPFJLPJGDID-UHFFFAOYSA-N 1 1 353.488 1.006 50 0 FDAAMO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC[NH+](C)CC1 ZINC000020358278 518849660 /nfs/dbraw/zinc/84/96/60/518849660.db2.gz FXZGWHJMPXRJQP-UHFFFAOYSA-N 1 1 360.414 1.149 50 0 FDAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[NH+]3CCOCC3)c1CO2 ZINC000020509824 518850873 /nfs/dbraw/zinc/85/08/73/518850873.db2.gz TYQUXZORFJIVOK-UHFFFAOYSA-N 1 1 357.410 1.995 50 0 FDAAMO CC(C)(C)CN1CCC[C@](O)(C[NH+]2CCN(CC3CCC3)CC2)C1=O ZINC000020601739 518853956 /nfs/dbraw/zinc/85/39/56/518853956.db2.gz XNFPDTQQSVFTMI-FQEVSTJZSA-N 1 1 351.535 1.804 50 0 FDAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccc(OCCO)cc2)C[C@@H]1CCO ZINC000020780553 518857900 /nfs/dbraw/zinc/85/79/00/518857900.db2.gz QYYZHQIOJFWTIX-SFHVURJKSA-N 1 1 350.503 1.972 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020942679 518860977 /nfs/dbraw/zinc/86/09/77/518860977.db2.gz PEUXCEDLRWDVCM-HNNXBMFYSA-N 1 1 374.514 1.709 50 0 FDAAMO COc1ccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)cc1OC ZINC000021637810 518879476 /nfs/dbraw/zinc/87/94/76/518879476.db2.gz ILGUNKBTJTWNMU-UHFFFAOYSA-N 1 1 371.441 1.806 50 0 FDAAMO O=c1n(CN2CC[NH+](Cc3cccs3)CC2)nnn1-c1cccs1 ZINC000022785931 518911510 /nfs/dbraw/zinc/91/15/10/518911510.db2.gz APROOXSPNIBVJJ-UHFFFAOYSA-N 1 1 362.484 1.327 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000022800539 518912562 /nfs/dbraw/zinc/91/25/62/518912562.db2.gz FGIGQKCRODDYNE-UHFFFAOYSA-N 1 1 366.465 1.830 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H]2CCCO2)CC1)NC(=O)Nc1ccccc1F ZINC000022876296 518917889 /nfs/dbraw/zinc/91/78/89/518917889.db2.gz GUWXPSNFKJRKGA-CQSZACIVSA-N 1 1 364.421 1.270 50 0 FDAAMO COc1cc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc2c1OCO2 ZINC000023373362 518949307 /nfs/dbraw/zinc/94/93/07/518949307.db2.gz KSLRTQIWEFOTSS-INIZCTEOSA-N 1 1 350.459 1.949 50 0 FDAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)CC1 ZINC000023374898 518949475 /nfs/dbraw/zinc/94/94/75/518949475.db2.gz DGPZUBPJKAYLNA-OAHLLOKOSA-N 1 1 351.447 1.510 50 0 FDAAMO CC(C)[C@@H](CNC(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000026302250 519114472 /nfs/dbraw/zinc/11/44/72/519114472.db2.gz AXNONMDLHPSRLR-LJQANCHMSA-N 1 1 360.502 1.875 50 0 FDAAMO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000028694892 519247127 /nfs/dbraw/zinc/24/71/27/519247127.db2.gz KAMCBSVHDPRUAK-KRWDZBQOSA-N 1 1 364.442 1.157 50 0 FDAAMO CCOc1ccc(OCC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000029236506 519280711 /nfs/dbraw/zinc/28/07/11/519280711.db2.gz WTASSLKEKQQNTI-SFHVURJKSA-N 1 1 350.459 1.937 50 0 FDAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)CC1 ZINC000034918052 519599978 /nfs/dbraw/zinc/59/99/78/519599978.db2.gz UOFUJPDNOCJIDC-QGZVFWFLSA-N 1 1 359.470 1.447 50 0 FDAAMO CCc1ccc(N2C[C@H](C(=O)N3CC[NH+](CCOC)CC3)CC2=O)cc1 ZINC000034916364 519600373 /nfs/dbraw/zinc/60/03/73/519600373.db2.gz DVBSUESKZYCPEO-QGZVFWFLSA-N 1 1 359.470 1.393 50 0 FDAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000035380389 519604657 /nfs/dbraw/zinc/60/46/57/519604657.db2.gz NGNFYZOSKDENJD-SQNIBIBYSA-N 1 1 359.470 1.137 50 0 FDAAMO C[C@@H]1CN(Cc2ccc(CNC(=S)NCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000040087583 519639860 /nfs/dbraw/zinc/63/98/60/519639860.db2.gz YYOGSVHIEFPKAA-IYBDPMFKSA-N 1 1 364.559 1.822 50 0 FDAAMO CCOC(=O)C1C(CN2CC[NH+](CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283410 520514363 /nfs/dbraw/zinc/51/43/63/520514363.db2.gz HOUQPNKKHGFUOR-GOSISDBHSA-N 1 1 372.469 1.495 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCSC2=O)C1 ZINC000241317022 521058585 /nfs/dbraw/zinc/05/85/85/521058585.db2.gz LXDHMKFQXLRSCU-IHRRRGAJSA-N 1 1 355.504 1.152 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H]2CCSC2=O)C1 ZINC000241317022 521058589 /nfs/dbraw/zinc/05/85/89/521058589.db2.gz LXDHMKFQXLRSCU-IHRRRGAJSA-N 1 1 355.504 1.152 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@@H]1CO ZINC000091476320 521121663 /nfs/dbraw/zinc/12/16/63/521121663.db2.gz JHERLEGZLDAMIG-HUUCEWRRSA-N 1 1 372.868 1.403 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000069131652 521815302 /nfs/dbraw/zinc/81/53/02/521815302.db2.gz HISAZYYHWIPFOS-MRXNPFEDSA-N 1 1 357.479 1.863 50 0 FDAAMO Cn1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071416257 522115145 /nfs/dbraw/zinc/11/51/45/522115145.db2.gz YZJUTUBYRBBGEK-CQSZACIVSA-N 1 1 359.474 1.015 50 0 FDAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)cc1OC ZINC000071746622 522120910 /nfs/dbraw/zinc/12/09/10/522120910.db2.gz DDPQZUKDYGRLRA-ZDUSSCGKSA-N 1 1 373.409 1.175 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000071751322 522124976 /nfs/dbraw/zinc/12/49/76/522124976.db2.gz QLPIPRQVTDDCPS-OAHLLOKOSA-N 1 1 363.458 1.359 50 0 FDAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3cnccn3)[nH+]c(C)n2)n1 ZINC000072115842 522154350 /nfs/dbraw/zinc/15/43/50/522154350.db2.gz LBIHIZJIFSQUDD-UHFFFAOYSA-N 1 1 352.402 1.219 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](CCOCCO)CCC(=O)N1Cc1ccc(F)cc1 ZINC000072133590 522161743 /nfs/dbraw/zinc/16/17/43/522161743.db2.gz ZPNDQSHHJMZEND-GOSISDBHSA-N 1 1 352.450 1.894 50 0 FDAAMO CCNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 ZINC000072133198 522162925 /nfs/dbraw/zinc/16/29/25/522162925.db2.gz MPSTZWOTIRJFEF-AWEZNQCLSA-N 1 1 358.398 1.481 50 0 FDAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C(=O)OC)cc3)no2)C1 ZINC000072133198 522162935 /nfs/dbraw/zinc/16/29/35/522162935.db2.gz MPSTZWOTIRJFEF-AWEZNQCLSA-N 1 1 358.398 1.481 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000072144175 522171302 /nfs/dbraw/zinc/17/13/02/522171302.db2.gz QHNIAUYHHJHNLE-KRWDZBQOSA-N 1 1 371.485 1.758 50 0 FDAAMO Cc1nc(C(C)C)sc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072150465 522175206 /nfs/dbraw/zinc/17/52/06/522175206.db2.gz NYXIJWPXTFYHDC-CYBMUJFWSA-N 1 1 350.488 1.611 50 0 FDAAMO Cc1ccc(OCCN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1 ZINC000072151580 522179310 /nfs/dbraw/zinc/17/93/10/522179310.db2.gz YAGXPABTOWGDPK-IBGZPJMESA-N 1 1 373.497 1.965 50 0 FDAAMO O=C(NCc1ccccn1)[C@@H]1CN(c2nc3ccccc3s2)CC[NH2+]1 ZINC000072168638 522196113 /nfs/dbraw/zinc/19/61/13/522196113.db2.gz JVRJADFVZOALHZ-HNNXBMFYSA-N 1 1 353.451 1.786 50 0 FDAAMO Cc1cn(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c(=O)[nH]c1=O ZINC000072421660 522252852 /nfs/dbraw/zinc/25/28/52/522252852.db2.gz LJPLXOIEWHHTOD-INIZCTEOSA-N 1 1 362.474 1.006 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cnn1C ZINC000072453489 522283276 /nfs/dbraw/zinc/28/32/76/522283276.db2.gz PGBIKXMZTAGYOT-INIZCTEOSA-N 1 1 357.506 1.832 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1)NC1CC1 ZINC000072462626 522286525 /nfs/dbraw/zinc/28/65/25/522286525.db2.gz KNRXRICSSRJYHV-HXUWFJFHSA-N 1 1 356.470 1.565 50 0 FDAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072473812 522296345 /nfs/dbraw/zinc/29/63/45/522296345.db2.gz KQHYWPBBCLBLKY-SFHVURJKSA-N 1 1 368.416 1.855 50 0 FDAAMO O=C([C@H]1CNC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072479633 522306475 /nfs/dbraw/zinc/30/64/75/522306475.db2.gz ORMBRDFKDFDSPW-GOSISDBHSA-N 1 1 364.449 1.602 50 0 FDAAMO CCOc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2O)cc1OCC ZINC000075106661 522878384 /nfs/dbraw/zinc/87/83/84/522878384.db2.gz JUBQIDDHXXQMGK-SJORKVTESA-N 1 1 364.486 1.988 50 0 FDAAMO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245522048 523003007 /nfs/dbraw/zinc/00/30/07/523003007.db2.gz LJEMFLSJIDXVJB-OLZOCXBDSA-N 1 1 370.471 1.876 50 0 FDAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)Nc1cccc2cccnc21 ZINC000078599472 523015411 /nfs/dbraw/zinc/01/54/11/523015411.db2.gz GCUQALIGMYVUCJ-MRXNPFEDSA-N 1 1 357.458 1.307 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(C(C)(C)C)C(=O)[C@@H]13)O2 ZINC000077323839 523297468 /nfs/dbraw/zinc/29/74/68/523297468.db2.gz QABIWHKGJWYEFT-ROYATCLZSA-N 1 1 372.469 1.230 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1O)c1cnccn1 ZINC000077339603 523300899 /nfs/dbraw/zinc/30/08/99/523300899.db2.gz BUWUXYMDIZHHTG-FCCBDOLVSA-N 1 1 356.401 1.494 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077341845 523302126 /nfs/dbraw/zinc/30/21/26/523302126.db2.gz JWJGOZQCUOPUOK-UHFFFAOYSA-N 1 1 364.453 1.905 50 0 FDAAMO COCCC[N@H+]1CCCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000081085275 523302445 /nfs/dbraw/zinc/30/24/45/523302445.db2.gz ZXINCEOIADNHBJ-MRXNPFEDSA-N 1 1 351.495 1.835 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1O)c1ccccn1 ZINC000077389449 523318892 /nfs/dbraw/zinc/31/88/92/523318892.db2.gz CSGYURSCIHIKCB-RHSMWYFYSA-N 1 1 367.409 1.430 50 0 FDAAMO Cc1cccc(-c2ncc(CN3CC[NH+](CCn4cncn4)CC3)cn2)c1 ZINC000077517562 523367700 /nfs/dbraw/zinc/36/77/00/523367700.db2.gz GVYWHSPABCTHCT-UHFFFAOYSA-N 1 1 363.469 1.861 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091664473 523573395 /nfs/dbraw/zinc/57/33/95/523573395.db2.gz GMVFTOIQPPXMSM-LJQANCHMSA-N 1 1 351.491 1.348 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091664473 523573404 /nfs/dbraw/zinc/57/34/04/523573404.db2.gz GMVFTOIQPPXMSM-LJQANCHMSA-N 1 1 351.491 1.348 50 0 FDAAMO CCN1CCN(Cc2cc(C(=O)N(C)C[C@@H]3CCCC[N@H+]3C)no2)CC1 ZINC000067967713 523652669 /nfs/dbraw/zinc/65/26/69/523652669.db2.gz DBFIKIALINPINH-INIZCTEOSA-N 1 1 363.506 1.368 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)NCc3ccccc3)C2)C1=O ZINC000091505027 523829399 /nfs/dbraw/zinc/82/93/99/523829399.db2.gz HGUXBMDMDJOZDY-FQEVSTJZSA-N 1 1 359.470 1.264 50 0 FDAAMO COc1ccc(CNC(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000089756803 524050563 /nfs/dbraw/zinc/05/05/63/524050563.db2.gz HUTRXUOZYVPTFQ-IBGZPJMESA-N 1 1 372.469 1.491 50 0 FDAAMO Cc1cccc(=O)n1CCC(=O)NCc1cc2n(n1)CC[N@H+](CC(C)C)C2 ZINC000082107148 524156022 /nfs/dbraw/zinc/15/60/22/524156022.db2.gz MGRHHNURASQZCT-UHFFFAOYSA-N 1 1 371.485 1.531 50 0 FDAAMO CC1(C)C[C@H](C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)CCO1 ZINC000082115546 524211034 /nfs/dbraw/zinc/21/10/34/524211034.db2.gz HPKXWYBMDGWPHB-CQSZACIVSA-N 1 1 370.519 1.343 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cnc(-c2cccs2)[nH]c1=O ZINC000091255047 524684039 /nfs/dbraw/zinc/68/40/39/524684039.db2.gz FSPWXFMBCLEVMM-STQMWFEESA-N 1 1 362.455 1.748 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccc3c2NCCC3)C[C@@]12CCNC(=O)CC2 ZINC000091327081 524692921 /nfs/dbraw/zinc/69/29/21/524692921.db2.gz XRXDNCRUYCWUNA-HXUWFJFHSA-N 1 1 356.470 1.471 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccc3c2NCCC3)C[C@]12CCNC(=O)CC2 ZINC000091327079 524693239 /nfs/dbraw/zinc/69/32/39/524693239.db2.gz XRXDNCRUYCWUNA-FQEVSTJZSA-N 1 1 356.470 1.471 50 0 FDAAMO Cc1cc2c(cc1CN1CC[N@H+](C)[C@]3(C1)CCNC(=O)CC3)OCCO2 ZINC000091462295 524709377 /nfs/dbraw/zinc/70/93/77/524709377.db2.gz HBHWCOQLSVPLAN-FQEVSTJZSA-N 1 1 359.470 1.553 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CCSc1ccccc1)C2 ZINC000091475302 524713150 /nfs/dbraw/zinc/71/31/50/524713150.db2.gz MDGMRFQVCBLURA-JKSUJKDBSA-N 1 1 361.511 1.790 50 0 FDAAMO CN1CC[N@@H+](C2CCN(Cc3ccco3)CC2)C[C@]12CCC(=O)N(C)CC2 ZINC000091602596 524739115 /nfs/dbraw/zinc/73/91/15/524739115.db2.gz YWZFGBHVBZXFEM-OAQYLSRUSA-N 1 1 374.529 1.873 50 0 FDAAMO CN1CC[N@H+](C2CCN(Cc3ccco3)CC2)C[C@]12CCC(=O)N(C)CC2 ZINC000091602596 524739122 /nfs/dbraw/zinc/73/91/22/524739122.db2.gz YWZFGBHVBZXFEM-OAQYLSRUSA-N 1 1 374.529 1.873 50 0 FDAAMO NC(=O)CC[N@H+]1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H](C2CC2)C1 ZINC000091637080 524750227 /nfs/dbraw/zinc/75/02/27/524750227.db2.gz PZXHVIJMIAQZMP-DOMZBBRYSA-N 1 1 353.825 1.795 50 0 FDAAMO COC[C@H]1CCCN(S(=O)(=O)N2CCC(c3[nH+]ccn3C)CC2)C1 ZINC000091644061 524752043 /nfs/dbraw/zinc/75/20/43/524752043.db2.gz LHZSXYYVJCNTSO-AWEZNQCLSA-N 1 1 356.492 1.203 50 0 FDAAMO CCS(=O)(=O)N1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091643608 524752142 /nfs/dbraw/zinc/75/21/42/524752142.db2.gz ZOWDRRIXWJHBRQ-UHFFFAOYSA-N 1 1 369.535 1.720 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2CO)CC1 ZINC000091694804 524763292 /nfs/dbraw/zinc/76/32/92/524763292.db2.gz ZAQNAEHAQMIJBJ-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2CO)CC1 ZINC000091694804 524763304 /nfs/dbraw/zinc/76/33/04/524763304.db2.gz ZAQNAEHAQMIJBJ-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]2CO)CC1 ZINC000091694804 524763311 /nfs/dbraw/zinc/76/33/11/524763311.db2.gz ZAQNAEHAQMIJBJ-HUUCEWRRSA-N 1 1 372.435 1.783 50 0 FDAAMO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091713911 524767762 /nfs/dbraw/zinc/76/77/62/524767762.db2.gz OFMLEGJMCQZGCN-ZDUSSCGKSA-N 1 1 367.877 1.894 50 0 FDAAMO Cc1cc(C(F)(F)F)cc(N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000091769405 524779632 /nfs/dbraw/zinc/77/96/32/524779632.db2.gz MJPBEVAKMQEPRH-ZIAGYGMSSA-N 1 1 359.392 1.786 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H](c3ccc(C)cc3)[NH+](C)C)CC2)no1 ZINC000091781504 524784983 /nfs/dbraw/zinc/78/49/83/524784983.db2.gz BBOKPLMKCLOFHY-SFHVURJKSA-N 1 1 357.458 1.634 50 0 FDAAMO O=C(c1ccc(N2CC(=O)NC2=O)cc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000091807081 524788269 /nfs/dbraw/zinc/78/82/69/524788269.db2.gz UATJQWGUGLMQCR-KRWDZBQOSA-N 1 1 364.405 1.530 50 0 FDAAMO Cc1ccc2[nH]c(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cc(=O)c2c1 ZINC000091847737 524798274 /nfs/dbraw/zinc/79/82/74/524798274.db2.gz GYVUITKCZDMWIZ-MRXNPFEDSA-N 1 1 369.465 1.907 50 0 FDAAMO CCCS(=O)(=O)N[C@H]1C[N@@H+](CCCn2ccnc2C)C[C@@H]1C1CC1 ZINC000091872834 524803629 /nfs/dbraw/zinc/80/36/29/524803629.db2.gz CBMZXYNMCDWYPC-SJORKVTESA-N 1 1 354.520 1.621 50 0 FDAAMO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000091876765 524804853 /nfs/dbraw/zinc/80/48/53/524804853.db2.gz PCKRHOSZPZSCIO-MRXNPFEDSA-N 1 1 370.497 1.949 50 0 FDAAMO C[C@@H](C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)n1cncn1 ZINC000091907555 524808468 /nfs/dbraw/zinc/80/84/68/524808468.db2.gz ATSNTXPBQKCYBH-HNNXBMFYSA-N 1 1 371.489 1.890 50 0 FDAAMO CCN1CC[C@@]2(CN(CCn3cc(Cl)cn3)CC[N@H+]2C)CCC1=O ZINC000091951919 524816273 /nfs/dbraw/zinc/81/62/73/524816273.db2.gz VTAHQJFGEBTJRS-QGZVFWFLSA-N 1 1 353.898 1.555 50 0 FDAAMO O=C(c1ccc2cccc(F)c2n1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000091943862 524816336 /nfs/dbraw/zinc/81/63/36/524816336.db2.gz BISRWMKIDCVPMS-IRXDYDNUSA-N 1 1 359.401 1.282 50 0 FDAAMO O=C(c1ccc2cccc(F)c2n1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000091943862 524816342 /nfs/dbraw/zinc/81/63/42/524816342.db2.gz BISRWMKIDCVPMS-IRXDYDNUSA-N 1 1 359.401 1.282 50 0 FDAAMO Cc1ccc(OCCCN(C)C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c(C)c1 ZINC000091952193 524818622 /nfs/dbraw/zinc/81/86/22/524818622.db2.gz GCTZNZPOGQLUKR-KRWDZBQOSA-N 1 1 361.486 1.728 50 0 FDAAMO Cc1c(NC(=O)C[NH+]2CCC3(CC(=O)N(CC(C)C)C3)CC2)cnn1C ZINC000091966557 524820885 /nfs/dbraw/zinc/82/08/85/524820885.db2.gz BUEFDQXTLQMAMS-UHFFFAOYSA-N 1 1 361.490 1.638 50 0 FDAAMO COc1cccc([C@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2NC(C)=O)c1 ZINC000092028594 524831763 /nfs/dbraw/zinc/83/17/63/524831763.db2.gz AKSIZQIYDPNYPW-MOPGFXCFSA-N 1 1 359.470 1.612 50 0 FDAAMO COc1cccc([C@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2NC(C)=O)c1 ZINC000092028594 524831776 /nfs/dbraw/zinc/83/17/76/524831776.db2.gz AKSIZQIYDPNYPW-MOPGFXCFSA-N 1 1 359.470 1.612 50 0 FDAAMO O=C(c1ccc(Cl)s1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000092045850 524836555 /nfs/dbraw/zinc/83/65/55/524836555.db2.gz ZQNXQMYBDXHTHS-CHWSQXEVSA-N 1 1 358.891 1.804 50 0 FDAAMO CCCOCC(=O)N1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000092077624 524844072 /nfs/dbraw/zinc/84/40/72/524844072.db2.gz PNDUNGJKUFLIHA-UHFFFAOYSA-N 1 1 360.462 1.501 50 0 FDAAMO COc1ccc(OCC(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000020454471 524934167 /nfs/dbraw/zinc/93/41/67/524934167.db2.gz RQEIMJKZQBRNQS-INIZCTEOSA-N 1 1 361.486 1.749 50 0 FDAAMO COc1ccc(OCC(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000020454471 524934177 /nfs/dbraw/zinc/93/41/77/524934177.db2.gz RQEIMJKZQBRNQS-INIZCTEOSA-N 1 1 361.486 1.749 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccc4[nH]cnc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091706433 524975242 /nfs/dbraw/zinc/97/52/42/524975242.db2.gz MSHWMKSNTFFZFW-YALNPMBYSA-N 1 1 372.469 1.353 50 0 FDAAMO c1nnnn1CCCN1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095368027 525042281 /nfs/dbraw/zinc/04/22/81/525042281.db2.gz CGWGBQHJVDHTDE-VQIMIIECSA-N 1 1 352.486 1.627 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095368882 525044047 /nfs/dbraw/zinc/04/40/47/525044047.db2.gz UTBMWHODTRLMID-OCVGTWLNSA-N 1 1 367.877 1.525 50 0 FDAAMO COc1ccnc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1OC ZINC000095376821 525049082 /nfs/dbraw/zinc/04/90/82/525049082.db2.gz KBMIQNPHRZSAGU-LJQANCHMSA-N 1 1 362.474 1.227 50 0 FDAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 ZINC000124689621 525053890 /nfs/dbraw/zinc/05/38/90/525053890.db2.gz CMPCVCRWUQQYJY-KBPBESRZSA-N 1 1 354.476 1.369 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CN2CCOC2=O)C3)cc1 ZINC000095385242 525059641 /nfs/dbraw/zinc/05/96/41/525059641.db2.gz HMDYCBOQCJLUBG-DLBZAZTESA-N 1 1 373.453 1.570 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)no1 ZINC000095388876 525062144 /nfs/dbraw/zinc/06/21/44/525062144.db2.gz KPWZJALKAQDEEZ-QGZVFWFLSA-N 1 1 361.421 1.464 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000095388784 525062998 /nfs/dbraw/zinc/06/29/98/525062998.db2.gz BVADDLGQJCUPGZ-AZUAARDMSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(-n3cccn3)cc1)C2 ZINC000095388784 525063005 /nfs/dbraw/zinc/06/30/05/525063005.db2.gz BVADDLGQJCUPGZ-AZUAARDMSA-N 1 1 367.497 1.857 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(-n3cccn3)cc1)C2 ZINC000095388784 525063014 /nfs/dbraw/zinc/06/30/14/525063014.db2.gz BVADDLGQJCUPGZ-AZUAARDMSA-N 1 1 367.497 1.857 50 0 FDAAMO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@H+](Cc3ccc(CO)o3)C[C@@H]2C1 ZINC000095392775 525065321 /nfs/dbraw/zinc/06/53/21/525065321.db2.gz MRYAIPGWJNOUIX-OXQOHEQNSA-N 1 1 362.470 1.747 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(CCOC)c(=O)c2ccccc12 ZINC000095476219 525075324 /nfs/dbraw/zinc/07/53/24/525075324.db2.gz JEPGSZAOXZGCJK-HNNXBMFYSA-N 1 1 357.454 1.862 50 0 FDAAMO NC(=O)CN(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095500446 525082683 /nfs/dbraw/zinc/08/26/83/525082683.db2.gz DYLLMFZDKCHEHB-NRFANRHFSA-N 1 1 371.525 1.832 50 0 FDAAMO O[C@H](COc1ccccc1CN1CC(O)C1)C[N@H+]1CCc2ccccc2C1 ZINC000095501756 525085664 /nfs/dbraw/zinc/08/56/64/525085664.db2.gz LGPRMHCXEYSELA-NRFANRHFSA-N 1 1 368.477 1.661 50 0 FDAAMO CN1CC2(CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)OC1=O ZINC000095509687 525092635 /nfs/dbraw/zinc/09/26/35/525092635.db2.gz GWAZEAPLCCNBAF-OAHLLOKOSA-N 1 1 361.442 1.935 50 0 FDAAMO NC(=O)c1cc2c(nc1N1CC[N@@H+](Cc3ccccc3)C[C@@H](O)C1)CCC2 ZINC000095510420 525093155 /nfs/dbraw/zinc/09/31/55/525093155.db2.gz MHWOJSRECRTYMD-QGZVFWFLSA-N 1 1 366.465 1.352 50 0 FDAAMO CN(C)C(=O)NCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000095513256 525094389 /nfs/dbraw/zinc/09/43/89/525094389.db2.gz PYVZLTQXQYDBJI-GOSISDBHSA-N 1 1 360.502 1.671 50 0 FDAAMO CN(Cc1ccc(-n2cccn2)cc1)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000095519710 525097118 /nfs/dbraw/zinc/09/71/18/525097118.db2.gz HOSKGEINQXJIDQ-KRWDZBQOSA-N 1 1 350.426 1.870 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095520411 525098314 /nfs/dbraw/zinc/09/83/14/525098314.db2.gz PQMONGPTDOMNIZ-KRWDZBQOSA-N 1 1 369.469 1.170 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095520411 525098321 /nfs/dbraw/zinc/09/83/21/525098321.db2.gz PQMONGPTDOMNIZ-KRWDZBQOSA-N 1 1 369.469 1.170 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)CC1 ZINC000095521343 525098509 /nfs/dbraw/zinc/09/85/09/525098509.db2.gz XFWOEMIPHKSFRF-MRXNPFEDSA-N 1 1 370.453 1.804 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)N1CCc2onc(C(=O)N(C)C)c2C1)[NH+](C)C ZINC000095524810 525100688 /nfs/dbraw/zinc/10/06/88/525100688.db2.gz ICJNXYBWMVBZTB-GOSISDBHSA-N 1 1 370.453 1.872 50 0 FDAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3ncnn3)CC2)C1 ZINC000096138617 525140239 /nfs/dbraw/zinc/14/02/39/525140239.db2.gz SVAIGLYNMDSQJD-KRWDZBQOSA-N 1 1 354.458 1.401 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)C[N@@H+]1C ZINC000096138679 525140599 /nfs/dbraw/zinc/14/05/99/525140599.db2.gz VTGJXFGWKCDDIY-AEFFLSMTSA-N 1 1 356.470 1.699 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cn2ccc3ccccc32)C[N@H+]1C ZINC000096138679 525140607 /nfs/dbraw/zinc/14/06/07/525140607.db2.gz VTGJXFGWKCDDIY-AEFFLSMTSA-N 1 1 356.470 1.699 50 0 FDAAMO COCCC[NH+]1CCN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 ZINC000096163078 525144499 /nfs/dbraw/zinc/14/44/99/525144499.db2.gz VWPWMFYOCIIHTI-UHFFFAOYSA-N 1 1 352.410 1.970 50 0 FDAAMO COc1cccc([C@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096279978 525157817 /nfs/dbraw/zinc/15/78/17/525157817.db2.gz LRTFCDRWONRBDY-RTBURBONSA-N 1 1 373.497 1.667 50 0 FDAAMO COCCN1CC[C@@H]([N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)C1=O ZINC000097111895 525171618 /nfs/dbraw/zinc/17/16/18/525171618.db2.gz AHPDHKXYMMAQQI-LJQANCHMSA-N 1 1 373.497 1.401 50 0 FDAAMO COCCN1CC[C@@H]([N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)C1=O ZINC000097111895 525171626 /nfs/dbraw/zinc/17/16/26/525171626.db2.gz AHPDHKXYMMAQQI-LJQANCHMSA-N 1 1 373.497 1.401 50 0 FDAAMO CN1C(=O)[C@H](CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)N(C)C1=O ZINC000097172927 525176494 /nfs/dbraw/zinc/17/64/94/525176494.db2.gz IMKRXHRTSAMDLL-INIZCTEOSA-N 1 1 372.469 1.222 50 0 FDAAMO CC(C)=CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1cccn1)CC2 ZINC000097259142 525178357 /nfs/dbraw/zinc/17/83/57/525178357.db2.gz NVPKDAXNCUNRKJ-UHFFFAOYSA-N 1 1 368.485 1.948 50 0 FDAAMO O=C(c1ccoc1)N1CCC2(CC[NH+](Cc3cnc[nH]3)CC2)[C@@H](CO)C1 ZINC000097505560 525186462 /nfs/dbraw/zinc/18/64/62/525186462.db2.gz IXWKESDHPLLDPV-MRXNPFEDSA-N 1 1 358.442 1.740 50 0 FDAAMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2n1 ZINC000097631905 525187830 /nfs/dbraw/zinc/18/78/30/525187830.db2.gz QNXSPTXBJWKVFT-CYBMUJFWSA-N 1 1 356.426 1.171 50 0 FDAAMO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000097694665 525190368 /nfs/dbraw/zinc/19/03/68/525190368.db2.gz ZNBXHLCVORUVOF-KGLIPLIRSA-N 1 1 358.442 1.307 50 0 FDAAMO Cc1c(C[N@@H+]2Cc3nc(C)[nH]c(=O)c3C2)c(=O)n(-c2ccccc2)n1C ZINC000097681863 525191140 /nfs/dbraw/zinc/19/11/40/525191140.db2.gz VQNSJGJWVZHVAC-UHFFFAOYSA-N 1 1 351.410 1.392 50 0 FDAAMO Cc1c(C[N@H+]2Cc3nc(C)[nH]c(=O)c3C2)c(=O)n(-c2ccccc2)n1C ZINC000097681863 525191144 /nfs/dbraw/zinc/19/11/44/525191144.db2.gz VQNSJGJWVZHVAC-UHFFFAOYSA-N 1 1 351.410 1.392 50 0 FDAAMO NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000097674174 525191214 /nfs/dbraw/zinc/19/12/14/525191214.db2.gz UZXRLBWRGVSLDA-IAGOWNOFSA-N 1 1 365.499 1.257 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2ccc3cccc(Cl)c3n2)C1 ZINC000097797224 525194914 /nfs/dbraw/zinc/19/49/14/525194914.db2.gz KCTICDDRHULGGQ-ZDUSSCGKSA-N 1 1 360.845 1.815 50 0 FDAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000085436916 525797026 /nfs/dbraw/zinc/79/70/26/525797026.db2.gz DXLPZWYNHCSUPH-GOSISDBHSA-N 1 1 359.514 1.466 50 0 FDAAMO O=C(CCCn1cnnn1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082096335 526472848 /nfs/dbraw/zinc/47/28/48/526472848.db2.gz YMLUYKKUCJICEW-UHFFFAOYSA-N 1 1 354.458 1.155 50 0 FDAAMO O=C(CC[N@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)NCc1ccco1 ZINC000091475408 526496893 /nfs/dbraw/zinc/49/68/93/526496893.db2.gz WOLKPNNSMRQYDM-HZPDHXFCSA-N 1 1 355.442 1.677 50 0 FDAAMO Nc1n[nH]c2nc(NCCOCCO)c3c(c12)CC[N@H+](C1CCCCC1)C3 ZINC000020546657 527421941 /nfs/dbraw/zinc/42/19/41/527421941.db2.gz QCCVIADVDZCTOS-UHFFFAOYSA-N 1 1 374.489 1.652 50 0 FDAAMO Nc1n[nH]c2nc(NCCOCCO)c3c(c12)CC[N@@H+](C1CCCCC1)C3 ZINC000020546657 527421947 /nfs/dbraw/zinc/42/19/47/527421947.db2.gz QCCVIADVDZCTOS-UHFFFAOYSA-N 1 1 374.489 1.652 50 0 FDAAMO COc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071415548 536823607 /nfs/dbraw/zinc/82/36/07/536823607.db2.gz GCZLNJPBVSUBJD-CQSZACIVSA-N 1 1 359.474 1.445 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO)c1cc(F)ccc1Cl ZINC000257190031 537252917 /nfs/dbraw/zinc/25/29/17/537252917.db2.gz OHZLBWQORGZLOP-MEDUHNTESA-N 1 1 356.825 1.681 50 0 FDAAMO Cn1ccnc1[C@@H](O)C1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000220757692 537496725 /nfs/dbraw/zinc/49/67/25/537496725.db2.gz BGCNLLZJEDECKL-FQEVSTJZSA-N 1 1 368.481 1.750 50 0 FDAAMO Cn1ccnc1[C@@H](O)C1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000220757692 537496727 /nfs/dbraw/zinc/49/67/27/537496727.db2.gz BGCNLLZJEDECKL-FQEVSTJZSA-N 1 1 368.481 1.750 50 0 FDAAMO C[N@H+](CCC(=O)N1CCc2c(Cl)cccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000221257808 537497678 /nfs/dbraw/zinc/49/76/78/537497678.db2.gz TWCNAEHPKJLYIV-CQSZACIVSA-N 1 1 370.902 1.734 50 0 FDAAMO C[N@@H+](CCC(=O)N1CCc2c(Cl)cccc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000221257808 537497683 /nfs/dbraw/zinc/49/76/83/537497683.db2.gz TWCNAEHPKJLYIV-CQSZACIVSA-N 1 1 370.902 1.734 50 0 FDAAMO Cc1cc(C)n2c(nnc2C(=O)NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000221383640 537500086 /nfs/dbraw/zinc/50/00/86/537500086.db2.gz RSJPLKUPOLNIOY-UHFFFAOYSA-N 1 1 350.426 1.529 50 0 FDAAMO Cc1cc(C)n2c(nnc2C(=O)NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000221383640 537500094 /nfs/dbraw/zinc/50/00/94/537500094.db2.gz RSJPLKUPOLNIOY-UHFFFAOYSA-N 1 1 350.426 1.529 50 0 FDAAMO CCNC(=O)N1CCC(NC(=O)[C@H]2Cc3ccccc3C[N@@H+]2CC)CC1 ZINC000222384485 537507502 /nfs/dbraw/zinc/50/75/02/537507502.db2.gz DYAPPKKORGKEQM-GOSISDBHSA-N 1 1 358.486 1.743 50 0 FDAAMO CCNC(=O)N1CCC(NC(=O)[C@H]2Cc3ccccc3C[N@H+]2CC)CC1 ZINC000222384485 537507513 /nfs/dbraw/zinc/50/75/13/537507513.db2.gz DYAPPKKORGKEQM-GOSISDBHSA-N 1 1 358.486 1.743 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000223216775 537521194 /nfs/dbraw/zinc/52/11/94/537521194.db2.gz WOGNCANLXZISHA-IAGOWNOFSA-N 1 1 372.469 1.140 50 0 FDAAMO Cc1ccc(C(=O)NCCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000223883880 537535450 /nfs/dbraw/zinc/53/54/50/537535450.db2.gz BPTOITBHPAFSBY-IBGZPJMESA-N 1 1 373.497 1.828 50 0 FDAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(F)(F)C(C)(C)O)CC1 ZINC000225392212 537545463 /nfs/dbraw/zinc/54/54/63/537545463.db2.gz NWXUMSANGROJRW-UHFFFAOYSA-N 1 1 369.456 1.847 50 0 FDAAMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC000225702507 537557151 /nfs/dbraw/zinc/55/71/51/537557151.db2.gz HPQMIABFILNXTF-LJQANCHMSA-N 1 1 361.486 1.319 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCN(CCOc3ccccc3)CC2)C1 ZINC000225702507 537557157 /nfs/dbraw/zinc/55/71/57/537557157.db2.gz HPQMIABFILNXTF-LJQANCHMSA-N 1 1 361.486 1.319 50 0 FDAAMO O=C(CSc1ccc2nncn2n1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230205012 537579575 /nfs/dbraw/zinc/57/95/75/537579575.db2.gz IQYHRAAYCWUGME-KGLIPLIRSA-N 1 1 360.487 1.597 50 0 FDAAMO CC1(C)SC[C@@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)NC1=O ZINC000299776021 537595014 /nfs/dbraw/zinc/59/50/14/537595014.db2.gz JWVBGDNOPHEGTF-HNNXBMFYSA-N 1 1 362.499 1.126 50 0 FDAAMO CC1(C)SC[C@@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)NC1=O ZINC000299776021 537595021 /nfs/dbraw/zinc/59/50/21/537595021.db2.gz JWVBGDNOPHEGTF-HNNXBMFYSA-N 1 1 362.499 1.126 50 0 FDAAMO Cn1cc(C(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)nn1 ZINC000289995704 537644116 /nfs/dbraw/zinc/64/41/16/537644116.db2.gz UHLFNUCSGGPAHI-UHFFFAOYSA-N 1 1 373.457 1.235 50 0 FDAAMO C[C@H](Oc1ncccc1C(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000241231016 537646743 /nfs/dbraw/zinc/64/67/43/537646743.db2.gz KRGLUIKKQKFFNQ-LBPRGKRZSA-N 1 1 361.364 1.863 50 0 FDAAMO C[C@H](Oc1ncccc1C(=O)NCC[N@H+]1CCCOCC1)C(F)(F)F ZINC000241231016 537646748 /nfs/dbraw/zinc/64/67/48/537646748.db2.gz KRGLUIKKQKFFNQ-LBPRGKRZSA-N 1 1 361.364 1.863 50 0 FDAAMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000241124358 537646886 /nfs/dbraw/zinc/64/68/86/537646886.db2.gz JHPKCXRGBNHINM-NXHRZFHOSA-N 1 1 354.454 1.741 50 0 FDAAMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000241124358 537646890 /nfs/dbraw/zinc/64/68/90/537646890.db2.gz JHPKCXRGBNHINM-NXHRZFHOSA-N 1 1 354.454 1.741 50 0 FDAAMO COc1ccc(C(=O)N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)cc1 ZINC000244758087 537652485 /nfs/dbraw/zinc/65/24/85/537652485.db2.gz OSDJVZXUIQGDCY-UHFFFAOYSA-N 1 1 368.437 1.877 50 0 FDAAMO CN(CCc1nc2ccc(F)cc2[nH]1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(N)n1 ZINC000244773722 537652652 /nfs/dbraw/zinc/65/26/52/537652652.db2.gz PFETUOMXMLISKQ-UMSPYCQHSA-N 1 1 355.421 1.958 50 0 FDAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426739957 538127282 /nfs/dbraw/zinc/12/72/82/538127282.db2.gz WLAQVWCZEUABCQ-QGZVFWFLSA-N 1 1 367.497 1.954 50 0 FDAAMO C[N@@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3cccc4nsnc43)C[C@H]21 ZINC000575543186 550465391 /nfs/dbraw/zinc/46/53/91/550465391.db2.gz UZFRIMMGNICYMF-DGCLKSJQSA-N 1 1 368.484 1.033 50 0 FDAAMO C[N@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3cccc4nsnc43)C[C@H]21 ZINC000575543186 550465393 /nfs/dbraw/zinc/46/53/93/550465393.db2.gz UZFRIMMGNICYMF-DGCLKSJQSA-N 1 1 368.484 1.033 50 0 FDAAMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 ZINC000579486987 550878657 /nfs/dbraw/zinc/87/86/57/550878657.db2.gz CYZCNNHPJUOEIA-IXDOHACOSA-N 1 1 374.485 1.543 50 0 FDAAMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 ZINC000579486987 550878658 /nfs/dbraw/zinc/87/86/58/550878658.db2.gz CYZCNNHPJUOEIA-IXDOHACOSA-N 1 1 374.485 1.543 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000584895226 551566705 /nfs/dbraw/zinc/56/67/05/551566705.db2.gz LUJWNUOOKBVVTR-OAHLLOKOSA-N 1 1 359.405 1.778 50 0 FDAAMO Nc1nc(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000222552917 568538713 /nfs/dbraw/zinc/53/87/13/568538713.db2.gz FUJOIUUANBLQRI-MRXNPFEDSA-N 1 1 360.483 1.675 50 0 FDAAMO Nc1nc(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000222552917 568538715 /nfs/dbraw/zinc/53/87/15/568538715.db2.gz FUJOIUUANBLQRI-MRXNPFEDSA-N 1 1 360.483 1.675 50 0 FDAAMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539699 570891581 /nfs/dbraw/zinc/89/15/81/570891581.db2.gz HJAQAHPSFSIRAR-GFCCVEGCSA-N 1 1 370.494 1.988 50 0 FDAAMO COc1ccc([C@@H]2CCCN2C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000045402268 570908242 /nfs/dbraw/zinc/90/82/42/570908242.db2.gz NDIYVRWRCXRHAA-KRWDZBQOSA-N 1 1 360.458 1.491 50 0 FDAAMO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2[nH][nH]c(=O)c2CC1 ZINC000252483242 571131896 /nfs/dbraw/zinc/13/18/96/571131896.db2.gz DXXLSHRPAPKSKQ-SFHVURJKSA-N 1 1 354.454 1.685 50 0 FDAAMO Cc1cc(=O)n(CC[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)c(=O)[nH]1 ZINC000253536835 571137887 /nfs/dbraw/zinc/13/78/87/571137887.db2.gz PODULCXEMCRVSX-INIZCTEOSA-N 1 1 353.426 1.981 50 0 FDAAMO Cc1cc(=O)n(CC[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)c(=O)[nH]1 ZINC000253536835 571137888 /nfs/dbraw/zinc/13/78/88/571137888.db2.gz PODULCXEMCRVSX-INIZCTEOSA-N 1 1 353.426 1.981 50 0 FDAAMO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000090419682 571177065 /nfs/dbraw/zinc/17/70/65/571177065.db2.gz FGTGHXDTFLLVOM-GUYCJALGSA-N 1 1 361.417 1.774 50 0 FDAAMO O=C(C[NH+]1CCC(O)CC1)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000299755484 571192248 /nfs/dbraw/zinc/19/22/48/571192248.db2.gz AGFCPBIBCMZROH-UHFFFAOYSA-N 1 1 350.850 1.722 50 0 FDAAMO COc1cc2c(cc1CNc1cc([C@H]3CCOC3)[nH+]c(N)n1)OCCO2 ZINC000299765365 571194614 /nfs/dbraw/zinc/19/46/14/571194614.db2.gz AIUJORQWRDKSLO-NSHDSACASA-N 1 1 358.398 1.955 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC000299778050 571196923 /nfs/dbraw/zinc/19/69/23/571196923.db2.gz LRVTYGOOAZXBDT-UHFFFAOYSA-N 1 1 351.454 1.623 50 0 FDAAMO O=C(C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1)N1CCc2ccccc2C1 ZINC000299788321 571200137 /nfs/dbraw/zinc/20/01/37/571200137.db2.gz UCILYTNBDWPFAL-GOSISDBHSA-N 1 1 362.495 1.470 50 0 FDAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)[C@H]2C1 ZINC000299788810 571200224 /nfs/dbraw/zinc/20/02/24/571200224.db2.gz XQVPGYRUHLHZEO-URLQWDBASA-N 1 1 359.426 1.559 50 0 FDAAMO CC(C)c1nc(CCNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000299793902 571201642 /nfs/dbraw/zinc/20/16/42/571201642.db2.gz HQQOQPKYJRFFAT-AWEZNQCLSA-N 1 1 373.544 1.434 50 0 FDAAMO CC(C)c1nc(CCNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000299793902 571201643 /nfs/dbraw/zinc/20/16/43/571201643.db2.gz HQQOQPKYJRFFAT-AWEZNQCLSA-N 1 1 373.544 1.434 50 0 FDAAMO CNC(=O)Cc1ccc(NC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)cc1 ZINC000426386516 571218007 /nfs/dbraw/zinc/21/80/07/571218007.db2.gz ZHTNZNWZIJBFHZ-SFHVURJKSA-N 1 1 374.485 1.286 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000426396636 571219464 /nfs/dbraw/zinc/21/94/64/571219464.db2.gz PMWUXBLELQKVGV-LJQANCHMSA-N 1 1 353.470 1.609 50 0 FDAAMO Cc1n[nH]c(C)c1CCN(C)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426477979 571227400 /nfs/dbraw/zinc/22/74/00/571227400.db2.gz IAQGJDNZVMBTOB-CQSZACIVSA-N 1 1 372.473 1.180 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cnc4cnccn34)C2)CC1 ZINC000426509513 571229109 /nfs/dbraw/zinc/22/91/09/571229109.db2.gz RCZKEWPXSJDDHZ-OAHLLOKOSA-N 1 1 356.474 1.152 50 0 FDAAMO COc1ccnc(-c2ccc(C(=O)NC[C@@H]3COCC[N@@H+](C)C3)cc2)n1 ZINC000426624759 571233739 /nfs/dbraw/zinc/23/37/39/571233739.db2.gz LUSRCHWZXOQLDP-AWEZNQCLSA-N 1 1 356.426 1.460 50 0 FDAAMO CCC[N@H+]1CCC[C@H](NS(=O)(=O)c2c3nonc3c(C)cc2C)C1 ZINC000670444063 571350124 /nfs/dbraw/zinc/35/01/24/571350124.db2.gz ZLGHTGYAFGVCIL-ZDUSSCGKSA-N 1 1 352.460 1.992 50 0 FDAAMO COCC1CCN(S(=O)(=O)NCCCn2cc[nH+]c2C(C)C)CC1 ZINC000670467145 571358868 /nfs/dbraw/zinc/35/88/68/571358868.db2.gz HWTUNOVVYREQGY-UHFFFAOYSA-N 1 1 358.508 1.589 50 0 FDAAMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCc2n[nH]c(=O)n2CC1 ZINC000257174420 793797741 /nfs/dbraw/zinc/79/77/41/793797741.db2.gz GRONYISKAGKEHU-OAHLLOKOSA-N 1 1 356.405 1.938 50 0 FDAAMO O[C@@H]1C[C@@H](c2nnc3n2CC[N@H+](C2CCCC2)C3)N(Cc2cccnc2)C1 ZINC000257182908 793931608 /nfs/dbraw/zinc/93/16/08/793931608.db2.gz GYYAEHADJGPYGW-MSOLQXFVSA-N 1 1 368.485 1.739 50 0 FDAAMO O[C@@H]1C[C@@H](c2nnc3n2CC[N@@H+](C2CCCC2)C3)N(Cc2cccnc2)C1 ZINC000257182908 793931611 /nfs/dbraw/zinc/93/16/11/793931611.db2.gz GYYAEHADJGPYGW-MSOLQXFVSA-N 1 1 368.485 1.739 50 0 FDAAMO COc1ccc(CN2CCn3c(=O)[nH]nc3C2)cc1Cn1cc[nH+]c1C ZINC000257186232 793960030 /nfs/dbraw/zinc/96/00/30/793960030.db2.gz KFGQXABXNYSGEB-UHFFFAOYSA-N 1 1 354.414 1.149 50 0 FDAAMO CC(C)C(=O)N1CC[C@@H](c2nnc3n2CC[N@H+](Cc2cccnc2)CC3)C1 ZINC000257188746 793996972 /nfs/dbraw/zinc/99/69/72/793996972.db2.gz NAOUNDCJSOMKBN-QGZVFWFLSA-N 1 1 368.485 1.703 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCCC1)CCN(C(=O)NCc1ccco1)CC2 ZINC000675011008 795203360 /nfs/dbraw/zinc/20/33/60/795203360.db2.gz PINQOYQWWSXOSL-QGZVFWFLSA-N 1 1 374.485 1.898 50 0 FDAAMO CCC[C@]1(CO)CC[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000808794696 822484782 /nfs/dbraw/zinc/48/47/82/822484782.db2.gz CTTZNOWVGRLPLN-IBGZPJMESA-N 1 1 363.458 1.049 50 0 FDAAMO COc1ccc(C(=O)N2CCC3(C[C@H]4C(=O)NCC[N@@H+]4C3)CC2)c(OC)c1 ZINC000169787683 864518299 /nfs/dbraw/zinc/51/82/99/864518299.db2.gz YCEPTEHBWUEKGP-INIZCTEOSA-N 1 1 373.453 1.130 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000012612960 877372219 /nfs/dbraw/zinc/37/22/19/877372219.db2.gz KCOQDAROBWEVKH-CQSZACIVSA-N 1 1 373.375 1.800 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000012612960 877372241 /nfs/dbraw/zinc/37/22/41/877372241.db2.gz KCOQDAROBWEVKH-CQSZACIVSA-N 1 1 373.375 1.800 50 0 FDAAMO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)n2)cc1 ZINC000012744924 877500466 /nfs/dbraw/zinc/50/04/66/877500466.db2.gz NXHPZQGPKHFVEB-AWEZNQCLSA-N 1 1 372.425 1.871 50 0 FDAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](CNC(C)=O)C3)n2)cc1 ZINC000012744924 877500490 /nfs/dbraw/zinc/50/04/90/877500490.db2.gz NXHPZQGPKHFVEB-AWEZNQCLSA-N 1 1 372.425 1.871 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)CCCn2nnc(-c3ccc(F)cc3)n2)c1C ZINC000828026283 924815730 /nfs/dbraw/zinc/81/57/30/924815730.db2.gz CKVGEKSHEQHPIW-UHFFFAOYSA-N 1 1 371.420 1.889 50 0 FDAAMO C[NH2+]CC(=O)N1CCCc2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc21 ZINC000952850577 960147518 /nfs/dbraw/zinc/14/75/18/960147518.db2.gz ZMJGLUBHMDPBBT-HNNXBMFYSA-N 1 1 367.453 1.967 50 0 FDAAMO CCC1(N2CCOCC2)CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000952852294 960168530 /nfs/dbraw/zinc/16/85/30/960168530.db2.gz ITTPAWQASAVONN-ZWKOTPCHSA-N 1 1 364.534 1.661 50 0 FDAAMO COc1cc(-n2cnnn2)ccc1NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000952977123 960273970 /nfs/dbraw/zinc/27/39/70/960273970.db2.gz SISBVFCBVOHVOU-KRWDZBQOSA-N 1 1 366.425 1.782 50 0 FDAAMO C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)cc2)CC1 ZINC000952978190 960276038 /nfs/dbraw/zinc/27/60/38/960276038.db2.gz BBUBDLYJRCYEOP-OAHLLOKOSA-N 1 1 374.485 1.295 50 0 FDAAMO O=C(Nc1ccc(Oc2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000952978346 960277788 /nfs/dbraw/zinc/27/77/88/960277788.db2.gz LFKWLVRDWPOBDI-ZDUSSCGKSA-N 1 1 372.429 1.822 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)Cn3nc(C)c(Cl)c3C)C2)[nH+]c(N)n1 ZINC000244601892 209900995 /nfs/dbraw/zinc/90/09/95/209900995.db2.gz DTUNPUCFFJSPOO-PHIMTYICSA-N 1 1 363.853 1.630 50 0 FDAAMO Cc1cc(C)n(C[C@@H](C)NC(=O)c2cccc(-c3cc(N)nc(N)[nH+]3)c2)n1 ZINC000534591469 540386947 /nfs/dbraw/zinc/38/69/47/540386947.db2.gz UHZCMKNWYQSMGR-GFCCVEGCSA-N 1 1 365.441 1.601 50 0 FDAAMO Cc1ccccc1CN1CCN(C(=O)NC[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000534673683 540398626 /nfs/dbraw/zinc/39/86/26/540398626.db2.gz FQDIUHDRYXAWLV-LJQANCHMSA-N 1 1 374.529 1.527 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000048367507 209332752 /nfs/dbraw/zinc/33/27/52/209332752.db2.gz UUQGUTTVIOESHN-AWEZNQCLSA-N 1 1 360.458 1.423 50 0 FDAAMO CN(Cc1nc(-c2ccccc2)no1)c1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC000108003711 209281442 /nfs/dbraw/zinc/28/14/42/209281442.db2.gz XREYLVHAIHZFQG-CQSZACIVSA-N 1 1 352.398 1.734 50 0 FDAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cccc(-n2cnnc2)n1 ZINC000097784974 209196493 /nfs/dbraw/zinc/19/64/93/209196493.db2.gz YKFVSRREEIYMIZ-HNNXBMFYSA-N 1 1 362.437 1.839 50 0 FDAAMO CCn1c(Cn2cncn2)nnc1C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000097785655 209195966 /nfs/dbraw/zinc/19/59/66/209195966.db2.gz BXIXWYZYJHKTCQ-UHFFFAOYSA-N 1 1 372.521 1.602 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 ZINC000097578764 209187290 /nfs/dbraw/zinc/18/72/90/209187290.db2.gz IKMPOHXVITVVSI-LLVKDONJSA-N 1 1 355.435 1.172 50 0 FDAAMO CCn1ncnc1CN1CCC2(CC1)CC[N@@H+](Cc1ccoc1)C[C@@H]2CO ZINC000097546575 209186051 /nfs/dbraw/zinc/18/60/51/209186051.db2.gz CVACRYHLHJIZQR-GOSISDBHSA-N 1 1 373.501 1.988 50 0 FDAAMO CN1C(=O)[C@@H](CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)N(C)C1=O ZINC000097172925 209174442 /nfs/dbraw/zinc/17/44/42/209174442.db2.gz IMKRXHRTSAMDLL-MRXNPFEDSA-N 1 1 372.469 1.222 50 0 FDAAMO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1 ZINC000096180277 209130174 /nfs/dbraw/zinc/13/01/74/209130174.db2.gz GIEGFWJMIPFDID-QGZVFWFLSA-N 1 1 368.481 1.765 50 0 FDAAMO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1 ZINC000096180277 209130178 /nfs/dbraw/zinc/13/01/78/209130178.db2.gz GIEGFWJMIPFDID-QGZVFWFLSA-N 1 1 368.481 1.765 50 0 FDAAMO C[N@H+]1CCc2[nH]nc(-c3nc(-c4ccc(Cl)cc4)nn3CCO)c2C1 ZINC000096164770 209129418 /nfs/dbraw/zinc/12/94/18/209129418.db2.gz IXXYMUVQCPJEQA-UHFFFAOYSA-N 1 1 358.833 1.969 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2cc(C(=O)N3CCN(C)CC3)ccn2)C1 ZINC000096162083 209128999 /nfs/dbraw/zinc/12/89/99/209128999.db2.gz CZUNFFBDOUNDKQ-MRXNPFEDSA-N 1 1 357.502 1.532 50 0 FDAAMO Cn1c(CN2CCN(C)CC2)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000096132850 209117547 /nfs/dbraw/zinc/11/75/47/209117547.db2.gz FMNGZHARHBBRGQ-UHFFFAOYSA-N 1 1 369.517 1.337 50 0 FDAAMO CCCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000004712023 207040814 /nfs/dbraw/zinc/04/08/14/207040814.db2.gz SWNJAPBJORMZSP-MRXNPFEDSA-N 1 1 373.563 1.819 50 0 FDAAMO C[C@@H]1CCCN(Cc2nnn(-c3nonc3N)c2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000004786484 207048045 /nfs/dbraw/zinc/04/80/45/207048045.db2.gz QFENPDYVIVLENT-KGLIPLIRSA-N 1 1 374.493 1.696 50 0 FDAAMO C[C@@H]1CCCN(Cc2nnn(-c3nonc3N)c2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000004786484 207048049 /nfs/dbraw/zinc/04/80/49/207048049.db2.gz QFENPDYVIVLENT-KGLIPLIRSA-N 1 1 374.493 1.696 50 0 FDAAMO COC[C@@H]1CC[N@@H+](Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000012433542 207376352 /nfs/dbraw/zinc/37/63/52/207376352.db2.gz LPGIRULKBFGIDR-MRXNPFEDSA-N 1 1 372.469 1.583 50 0 FDAAMO C[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1N1CCOCC1 ZINC000012534670 207386677 /nfs/dbraw/zinc/38/66/77/207386677.db2.gz ZZBIKJBZLYNJPM-UHFFFAOYSA-N 1 1 362.474 1.579 50 0 FDAAMO C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1N1CCOCC1 ZINC000012534670 207386686 /nfs/dbraw/zinc/38/66/86/207386686.db2.gz ZZBIKJBZLYNJPM-UHFFFAOYSA-N 1 1 362.474 1.579 50 0 FDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032850920 208049302 /nfs/dbraw/zinc/04/93/02/208049302.db2.gz RZWGJNGJTTVKTJ-JCVNQNCUSA-N 1 1 367.501 1.912 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 ZINC000032900063 208052188 /nfs/dbraw/zinc/05/21/88/208052188.db2.gz RRDUSSHBOUXJKU-UHFFFAOYSA-N 1 1 362.433 1.961 50 0 FDAAMO Cc1c(C(=O)OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cnn1C ZINC000031185448 208011136 /nfs/dbraw/zinc/01/11/36/208011136.db2.gz WHSYDLAUNKVMOP-UHFFFAOYSA-N 1 1 370.453 1.538 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000032768931 208040510 /nfs/dbraw/zinc/04/05/10/208040510.db2.gz AHNRLFPRNYSIRG-MRXNPFEDSA-N 1 1 373.453 1.319 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000032768931 208040515 /nfs/dbraw/zinc/04/05/15/208040515.db2.gz AHNRLFPRNYSIRG-MRXNPFEDSA-N 1 1 373.453 1.319 50 0 FDAAMO Cc1nn(C)c2ncc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)cc12 ZINC000032920959 208056046 /nfs/dbraw/zinc/05/60/46/208056046.db2.gz OHLLYRXFIMKGPR-CHWSQXEVSA-N 1 1 359.474 1.894 50 0 FDAAMO Cc1nn(-c2nc(CC(=O)N3CC[NH+](C)CC3)cs2)c(C)c1Cl ZINC000033004449 208065246 /nfs/dbraw/zinc/06/52/46/208065246.db2.gz BGEGTGJYEHOLRB-UHFFFAOYSA-N 1 1 353.879 1.916 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000034691391 208104279 /nfs/dbraw/zinc/10/42/79/208104279.db2.gz XUYWSWSXFJFRIC-OALUTQOASA-N 1 1 364.486 1.555 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 ZINC000034691391 208104282 /nfs/dbraw/zinc/10/42/82/208104282.db2.gz XUYWSWSXFJFRIC-OALUTQOASA-N 1 1 364.486 1.555 50 0 FDAAMO Cc1c(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000039500431 208212009 /nfs/dbraw/zinc/21/20/09/208212009.db2.gz KWOSECZZKJAQOX-LJQANCHMSA-N 1 1 372.513 1.761 50 0 FDAAMO O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000040079562 208222740 /nfs/dbraw/zinc/22/27/40/208222740.db2.gz OKMLQYSQSGRQMI-AEFFLSMTSA-N 1 1 357.454 1.363 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000065364686 208666745 /nfs/dbraw/zinc/66/67/45/208666745.db2.gz AWABRZXUEVHTMD-MRXNPFEDSA-N 1 1 369.487 1.014 50 0 FDAAMO Cc1cccc2cc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)c(C)nc12 ZINC000072174270 208823405 /nfs/dbraw/zinc/82/34/05/208823405.db2.gz LXLNGVJCUYRRGB-QGZVFWFLSA-N 1 1 352.438 1.544 50 0 FDAAMO COC[C@@H]1CCCN(S(=O)(=O)N2CCC(c3[nH+]ccn3C)CC2)C1 ZINC000091644062 208986983 /nfs/dbraw/zinc/98/69/83/208986983.db2.gz LHZSXYYVJCNTSO-CQSZACIVSA-N 1 1 356.492 1.203 50 0 FDAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CC[NH+](CC1CCCC1)CC2 ZINC000091847670 209000827 /nfs/dbraw/zinc/00/08/27/209000827.db2.gz ALXXEQFPIHTXBT-UHFFFAOYSA-N 1 1 352.504 1.709 50 0 FDAAMO CCn1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)cc1=O ZINC000091873023 209001847 /nfs/dbraw/zinc/00/18/47/209001847.db2.gz UAAQTAYVNJLKKM-DOTOQJQBSA-N 1 1 369.469 1.636 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000091892948 209002560 /nfs/dbraw/zinc/00/25/60/209002560.db2.gz DDEJWQORMLRPCC-FUHWJXTLSA-N 1 1 367.453 1.740 50 0 FDAAMO CCCN1C[C@H]2CC[C@@H]1C[N@H+](C1CCN(C(=O)c3cnccn3)CC1)C2 ZINC000091908017 209004181 /nfs/dbraw/zinc/00/41/81/209004181.db2.gz BTWJRZQBJIUKSB-SJLPKXTDSA-N 1 1 357.502 1.887 50 0 FDAAMO O=C(c1ccc(-n2cnnc2)nc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091951152 209006943 /nfs/dbraw/zinc/00/69/43/209006943.db2.gz YKAJOBHMLNKJTO-NVXWUHKLSA-N 1 1 352.442 1.609 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000091943757 209007236 /nfs/dbraw/zinc/00/72/36/209007236.db2.gz WYLRADXQAYESIP-IAGOWNOFSA-N 1 1 364.511 1.965 50 0 FDAAMO CCCOCC(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095357191 209025591 /nfs/dbraw/zinc/02/55/91/209025591.db2.gz IJTSEDOZWORHBX-OAHLLOKOSA-N 1 1 360.462 1.501 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)NCc3cccs3)CC[N@H+]2C)CCC1=O ZINC000095358027 209026861 /nfs/dbraw/zinc/02/68/61/209026861.db2.gz NRRPORNRACGYJO-KRWDZBQOSA-N 1 1 350.488 1.586 50 0 FDAAMO Cc1ccc([C@@H](C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)[NH+](C)C)cc1 ZINC000095360217 209027503 /nfs/dbraw/zinc/02/75/03/209027503.db2.gz FRJXUPXMHLEMCJ-SFHVURJKSA-N 1 1 357.454 1.643 50 0 FDAAMO Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c1 ZINC000092078724 209015747 /nfs/dbraw/zinc/01/57/47/209015747.db2.gz DHBUCDCPMMWFDX-JKSUJKDBSA-N 1 1 361.471 1.100 50 0 FDAAMO Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)c1 ZINC000092078724 209015751 /nfs/dbraw/zinc/01/57/51/209015751.db2.gz DHBUCDCPMMWFDX-JKSUJKDBSA-N 1 1 361.471 1.100 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2CN(Cc3cnc(C(C)C)nc3)C[C@@H]2CO)CC1 ZINC000095385815 209043756 /nfs/dbraw/zinc/04/37/56/209043756.db2.gz PHCPTDIJYQDWCH-RTBURBONSA-N 1 1 361.534 1.278 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@@H]3COc4ccccc4O3)cc2C1 ZINC000095385151 209043780 /nfs/dbraw/zinc/04/37/80/209043780.db2.gz MUAVNNKJJVXGOT-IBGZPJMESA-N 1 1 370.453 1.811 50 0 FDAAMO C[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095366395 209031113 /nfs/dbraw/zinc/03/11/13/209031113.db2.gz NXDFWKJUIXLQIX-YYIAUSFCSA-N 1 1 374.485 1.819 50 0 FDAAMO O=C([C@H]1CC(=O)N(Cc2ccncc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000095364440 209031378 /nfs/dbraw/zinc/03/13/78/209031378.db2.gz XFQFVBCWJQQJOD-SFHVURJKSA-N 1 1 370.497 1.907 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)Cc3ccccc3OC)CC[N@H+]2C)CCC1=O ZINC000095365335 209031558 /nfs/dbraw/zinc/03/15/58/209031558.db2.gz QRTWWDZUJHZTHH-NRFANRHFSA-N 1 1 373.497 1.783 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000095370163 209032504 /nfs/dbraw/zinc/03/25/04/209032504.db2.gz WPJAIXKLJAGHJK-ZDUSSCGKSA-N 1 1 352.438 1.378 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095368966 209032972 /nfs/dbraw/zinc/03/29/72/209032972.db2.gz XSRRWFIGXHIWNQ-MAUKXSAKSA-N 1 1 369.469 1.551 50 0 FDAAMO Cc1ccc([C@H](C(=O)N2CCN(Cc3nccn3C)CC2)[NH+](C)C)cc1 ZINC000095369739 209033958 /nfs/dbraw/zinc/03/39/58/209033958.db2.gz NSLMQRXNXDPMNM-LJQANCHMSA-N 1 1 355.486 1.676 50 0 FDAAMO O=C(Cn1cnnn1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095377800 209038733 /nfs/dbraw/zinc/03/87/33/209038733.db2.gz WRXOPALZPQNDFU-KBAYOESNSA-N 1 1 374.395 1.040 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(SCCO)cc1)C2 ZINC000095377114 209038804 /nfs/dbraw/zinc/03/88/04/209038804.db2.gz XRSXEUMAZUCRBS-NVXWUHKLSA-N 1 1 364.511 1.954 50 0 FDAAMO O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095382135 209041191 /nfs/dbraw/zinc/04/11/91/209041191.db2.gz UIDBHCFDMOPVFB-CYBMUJFWSA-N 1 1 372.429 1.034 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(Cl)c1)C2 ZINC000095382617 209043096 /nfs/dbraw/zinc/04/30/96/209043096.db2.gz ZSKPVLCBVCWLKZ-DOTOQJQBSA-N 1 1 363.889 1.894 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cccc(Cl)c1)C2 ZINC000095382617 209043100 /nfs/dbraw/zinc/04/31/00/209043100.db2.gz ZSKPVLCBVCWLKZ-DOTOQJQBSA-N 1 1 363.889 1.894 50 0 FDAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C[C@@H]1C ZINC000095461104 209054291 /nfs/dbraw/zinc/05/42/91/209054291.db2.gz VTPBZGLNDAUDQL-QWHCGFSZSA-N 1 1 365.865 1.584 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cncn1)CC2 ZINC000095498129 209060285 /nfs/dbraw/zinc/06/02/85/209060285.db2.gz GVKYGXTZNPDZEF-OAHLLOKOSA-N 1 1 371.489 1.594 50 0 FDAAMO O[C@H](COc1ccc(CN2CC(O)C2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000095504492 209064614 /nfs/dbraw/zinc/06/46/14/209064614.db2.gz JUZSCRXXDJWRJX-NRFANRHFSA-N 1 1 368.477 1.661 50 0 FDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095506652 209065987 /nfs/dbraw/zinc/06/59/87/209065987.db2.gz BTNJDYAGGAETFB-INIZCTEOSA-N 1 1 371.485 1.116 50 0 FDAAMO C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095506652 209065990 /nfs/dbraw/zinc/06/59/90/209065990.db2.gz BTNJDYAGGAETFB-INIZCTEOSA-N 1 1 371.485 1.116 50 0 FDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095506652 209065992 /nfs/dbraw/zinc/06/59/92/209065992.db2.gz BTNJDYAGGAETFB-INIZCTEOSA-N 1 1 371.485 1.116 50 0 FDAAMO CN1CC2(CCN(C(=O)[C@H](c3cccnc3)[NH+]3CCCC3)CC2)OC1=O ZINC000095519894 209072190 /nfs/dbraw/zinc/07/21/90/209072190.db2.gz GQRXZRQABXIKMF-INIZCTEOSA-N 1 1 358.442 1.662 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1 ZINC000082156667 132197382 /nfs/dbraw/zinc/19/73/82/132197382.db2.gz UKNZVMOYTJUIEP-KRWDZBQOSA-N 1 1 373.501 1.325 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(c3nccc(N)n3)CC2)n1C ZINC000091351278 132201381 /nfs/dbraw/zinc/20/13/81/132201381.db2.gz JTTJMFFRXCZRTO-UHFFFAOYSA-N 1 1 353.434 1.125 50 0 FDAAMO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000091707027 132203377 /nfs/dbraw/zinc/20/33/77/132203377.db2.gz OHHXECWVQXAUJH-HNNXBMFYSA-N 1 1 372.517 1.236 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095365703 132208210 /nfs/dbraw/zinc/20/82/10/132208210.db2.gz VPDGWWWTXXFCGS-CYBMUJFWSA-N 1 1 363.429 1.715 50 0 FDAAMO CCc1cc(N2CCC([NH2+]Cc3cnc(C)cn3)CC2)nc(N(C)C)n1 ZINC000095375444 132209261 /nfs/dbraw/zinc/20/92/61/132209261.db2.gz DRWXLFYJZHXGGJ-UHFFFAOYSA-N 1 1 355.490 1.962 50 0 FDAAMO CCc1cc(N2CCC([NH2+]Cc3cc(C)nn3C)CC2)nc(N(C)C)n1 ZINC000095501907 132212192 /nfs/dbraw/zinc/21/21/92/132212192.db2.gz DFLSWASONHAEJD-UHFFFAOYSA-N 1 1 357.506 1.906 50 0 FDAAMO CCc1cc(N2CCC([N@@H+]3CCOC[C@H](CO)C3)CC2)nc(N(C)C)n1 ZINC000095505500 132212530 /nfs/dbraw/zinc/21/25/30/132212530.db2.gz QYKVBSPOQTUAIQ-HNNXBMFYSA-N 1 1 363.506 1.015 50 0 FDAAMO CCc1cc(N2CCC([N@H+]3CCOC[C@H](CO)C3)CC2)nc(N(C)C)n1 ZINC000095505500 132212532 /nfs/dbraw/zinc/21/25/32/132212532.db2.gz QYKVBSPOQTUAIQ-HNNXBMFYSA-N 1 1 363.506 1.015 50 0 FDAAMO O=c1[nH]ccnc1N1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000097551215 132229672 /nfs/dbraw/zinc/22/96/72/132229672.db2.gz ORFZVMBULAJQBE-UHFFFAOYSA-N 1 1 350.426 1.337 50 0 FDAAMO COc1cc(N2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)nc(N)n1 ZINC000106993419 132240765 /nfs/dbraw/zinc/24/07/65/132240765.db2.gz VRVLFDQCVLMDKC-INIZCTEOSA-N 1 1 357.458 1.183 50 0 FDAAMO CC[NH+]1CCN(c2cnn(-c3nc4ccccc4[nH]3)c(=O)c2Cl)CC1 ZINC000005210232 132256917 /nfs/dbraw/zinc/25/69/17/132256917.db2.gz XYEHQSVLBSMXIA-UHFFFAOYSA-N 1 1 358.833 1.904 50 0 FDAAMO CCOc1ccc(C[NH+]2CCN(c3nccc(OC)n3)CC2)cc1CO ZINC000216222758 132271347 /nfs/dbraw/zinc/27/13/47/132271347.db2.gz CWPKFDJDISWEBH-UHFFFAOYSA-N 1 1 358.442 1.698 50 0 FDAAMO CCOc1ccccc1N1CC[NH+](CCn2c(=O)cc(C)[nH]c2=O)CC1 ZINC000253536971 132294432 /nfs/dbraw/zinc/29/44/32/132294432.db2.gz SARMTRIDVGRKRI-UHFFFAOYSA-N 1 1 358.442 1.478 50 0 FDAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 ZINC000052584297 136124442 /nfs/dbraw/zinc/12/44/42/136124442.db2.gz YIBAHIUJRKGNMN-KRWDZBQOSA-N 1 1 372.469 1.634 50 0 FDAAMO CNc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071738850 136139747 /nfs/dbraw/zinc/13/97/47/136139747.db2.gz RNJIGPXCGZMPLW-INIZCTEOSA-N 1 1 372.517 1.822 50 0 FDAAMO CCNC(=O)C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072135368 136142459 /nfs/dbraw/zinc/14/24/59/136142459.db2.gz NIJZIOHBVIEULJ-KRWDZBQOSA-N 1 1 360.502 1.418 50 0 FDAAMO CCNC(=O)C[N@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072135368 136142460 /nfs/dbraw/zinc/14/24/60/136142460.db2.gz NIJZIOHBVIEULJ-KRWDZBQOSA-N 1 1 360.502 1.418 50 0 FDAAMO CCNC(=O)CN1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072135368 136142461 /nfs/dbraw/zinc/14/24/61/136142461.db2.gz NIJZIOHBVIEULJ-KRWDZBQOSA-N 1 1 360.502 1.418 50 0 FDAAMO Nc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)[nH]n1 ZINC000072157648 136143139 /nfs/dbraw/zinc/14/31/39/136143139.db2.gz LQVOEZWOIUKDIC-INIZCTEOSA-N 1 1 372.448 1.558 50 0 FDAAMO Cc1nc(C)c(C(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)s1 ZINC000072436882 136147335 /nfs/dbraw/zinc/14/73/35/136147335.db2.gz INHPQNURJONZFL-UHFFFAOYSA-N 1 1 360.487 1.887 50 0 FDAAMO COc1ccc(CC(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)cc1 ZINC000072437935 136147496 /nfs/dbraw/zinc/14/74/96/136147496.db2.gz WXEYXOGFTWDDKF-UHFFFAOYSA-N 1 1 369.469 1.751 50 0 FDAAMO COc1ccc(CN2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)cc1C ZINC000072476611 136149384 /nfs/dbraw/zinc/14/93/84/136149384.db2.gz KGOXKVAEBBUSME-KRWDZBQOSA-N 1 1 371.485 1.757 50 0 FDAAMO Cc1cc(Cl)cc(C)c1NC(=O)N1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000095526907 209075764 /nfs/dbraw/zinc/07/57/64/209075764.db2.gz JULRTEFUHQSQBT-HOTGVXAUSA-N 1 1 366.893 1.781 50 0 FDAAMO O=C1C[NH2+]CCN1[C@H]1CCCN(c2cncc(OC3CCCCC3)n2)C1 ZINC000333875231 259389593 /nfs/dbraw/zinc/38/95/93/259389593.db2.gz CLDBIZXPAWCPFO-HNNXBMFYSA-N 1 1 359.474 1.589 50 0 FDAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC ZINC000000967922 518223999 /nfs/dbraw/zinc/22/39/99/518223999.db2.gz UNRHXEPDKXPRTM-ZDUSSCGKSA-N 1 1 354.472 1.703 50 0 in-man FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC ZINC000000967922 518224001 /nfs/dbraw/zinc/22/40/01/518224001.db2.gz UNRHXEPDKXPRTM-ZDUSSCGKSA-N 1 1 354.472 1.703 50 0 in-man FDAAMO CC1=[NH+]N(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000005148025 518332723 /nfs/dbraw/zinc/33/27/23/518332723.db2.gz OSOGPSJOOWPRIL-ZDUSSCGKSA-N 1 1 366.425 1.433 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 ZINC000008863597 518490058 /nfs/dbraw/zinc/49/00/58/518490058.db2.gz SCJVCJKTJPFCTK-ZDUSSCGKSA-N 1 1 361.423 1.834 50 0 FDAAMO Cc1ccccc1Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3C)n(C)c1=O ZINC000010358564 518535357 /nfs/dbraw/zinc/53/53/57/518535357.db2.gz DDCUZISGEBOYKZ-CYBMUJFWSA-N 1 1 366.425 1.640 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000012568692 518621485 /nfs/dbraw/zinc/62/14/85/518621485.db2.gz PKPCMZGWINLNAW-CZUORRHYSA-N 1 1 359.426 1.305 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000012568692 518621491 /nfs/dbraw/zinc/62/14/91/518621491.db2.gz PKPCMZGWINLNAW-CZUORRHYSA-N 1 1 359.426 1.305 50 0 FDAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000012994856 518647285 /nfs/dbraw/zinc/64/72/85/518647285.db2.gz BJWDWXUDOBNXGP-SFHVURJKSA-N 1 1 353.422 1.706 50 0 FDAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000012994856 518647291 /nfs/dbraw/zinc/64/72/91/518647291.db2.gz BJWDWXUDOBNXGP-SFHVURJKSA-N 1 1 353.422 1.706 50 0 FDAAMO Cc1cc(C)c(C(N)=O)c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000014141867 518679611 /nfs/dbraw/zinc/67/96/11/518679611.db2.gz OEQGYVWMGGXGCH-UHFFFAOYSA-N 1 1 368.437 1.848 50 0 FDAAMO CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@H+](CCC(N)=O)C2 ZINC000014539763 518693245 /nfs/dbraw/zinc/69/32/45/518693245.db2.gz MYUDISGVVYBFBG-UHFFFAOYSA-N 1 1 361.490 1.445 50 0 FDAAMO CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CC[N@@H+](CCC(N)=O)C2 ZINC000014539763 518693258 /nfs/dbraw/zinc/69/32/58/518693258.db2.gz MYUDISGVVYBFBG-UHFFFAOYSA-N 1 1 361.490 1.445 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 ZINC000014741079 518698499 /nfs/dbraw/zinc/69/84/99/518698499.db2.gz YSZWZTCVTNDGFI-VQTJNVASSA-N 1 1 363.461 1.749 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]3C2)cc1 ZINC000014741079 518698504 /nfs/dbraw/zinc/69/85/04/518698504.db2.gz YSZWZTCVTNDGFI-VQTJNVASSA-N 1 1 363.461 1.749 50 0 FDAAMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)c(C)c1 ZINC000015001368 518704528 /nfs/dbraw/zinc/70/45/28/518704528.db2.gz FECPVJBJQWQJDV-GOSISDBHSA-N 1 1 371.485 1.844 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022128 518741678 /nfs/dbraw/zinc/74/16/78/518741678.db2.gz XTWMPYDVSJKONX-ZOZBEKFXSA-N 1 1 371.412 1.851 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022128 518741682 /nfs/dbraw/zinc/74/16/82/518741682.db2.gz XTWMPYDVSJKONX-ZOZBEKFXSA-N 1 1 371.412 1.851 50 0 FDAAMO OCc1cn(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)nn1 ZINC000019146290 518804258 /nfs/dbraw/zinc/80/42/58/518804258.db2.gz FMEWFJCLIJMBID-KRWDZBQOSA-N 1 1 352.442 1.868 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)CC1 ZINC000019527844 518817486 /nfs/dbraw/zinc/81/74/86/518817486.db2.gz GWJGWEWTSPBGAB-UHFFFAOYSA-N 1 1 373.906 1.579 50 0 FDAAMO CC(C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000019797201 518836943 /nfs/dbraw/zinc/83/69/43/518836943.db2.gz CESVEUZPBMPXKL-STQMWFEESA-N 1 1 351.877 1.277 50 0 FDAAMO C[NH+]1CCN(C(=O)CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019928976 518840053 /nfs/dbraw/zinc/84/00/53/518840053.db2.gz URNNJHXSXRXNJG-UHFFFAOYSA-N 1 1 351.406 1.600 50 0 FDAAMO CCc1ccccc1N(CC(=O)N1CC[NH+](CC)CC1)S(C)(=O)=O ZINC000020026910 518842809 /nfs/dbraw/zinc/84/28/09/518842809.db2.gz OQFIUJSAHXJWEP-UHFFFAOYSA-N 1 1 353.488 1.179 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1 ZINC000020500472 518851677 /nfs/dbraw/zinc/85/16/77/518851677.db2.gz DYRKWSDXDKPKCL-HNNXBMFYSA-N 1 1 353.488 1.314 50 0 FDAAMO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022478450 518902055 /nfs/dbraw/zinc/90/20/55/518902055.db2.gz BUVDQYDAOOCTJP-KRWDZBQOSA-N 1 1 371.437 1.430 50 0 FDAAMO CNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022787824 518912097 /nfs/dbraw/zinc/91/20/97/518912097.db2.gz YVGLXBZYHMYTTL-CYBMUJFWSA-N 1 1 360.483 1.863 50 0 FDAAMO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000022937687 518924082 /nfs/dbraw/zinc/92/40/82/518924082.db2.gz VFZHIGNKHIGAMG-SFHVURJKSA-N 1 1 358.486 1.108 50 0 FDAAMO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)CC1 ZINC000023375276 518949270 /nfs/dbraw/zinc/94/92/70/518949270.db2.gz XDDIPPVIJMSRIZ-MRXNPFEDSA-N 1 1 373.457 1.961 50 0 FDAAMO Cn1ncc(NC(=O)Cn2c(C[C@@H]3CCC[N@@H+](C)C3)nc3ccccc32)n1 ZINC000023619598 518958654 /nfs/dbraw/zinc/95/86/54/518958654.db2.gz ISQRXNRUMLXAAE-AWEZNQCLSA-N 1 1 367.457 1.688 50 0 FDAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c1 ZINC000025233064 519046054 /nfs/dbraw/zinc/04/60/54/519046054.db2.gz QTZHNTONJKXWAH-MAUKXSAKSA-N 1 1 350.459 1.534 50 0 FDAAMO O=C(NCC(F)(F)F)C1CC[NH+](Cn2c(=O)oc3ccccc32)CC1 ZINC000026689336 519131967 /nfs/dbraw/zinc/13/19/67/519131967.db2.gz ACCDQRRXZOALIM-UHFFFAOYSA-N 1 1 357.332 1.943 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H](O)c2cccs2)CC1)NCc1ccccc1 ZINC000026913519 519145995 /nfs/dbraw/zinc/14/59/95/519145995.db2.gz LLYGPVWBONFDJG-KRWDZBQOSA-N 1 1 359.495 1.716 50 0 FDAAMO CC(C)C[C@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020136641 519419295 /nfs/dbraw/zinc/41/92/95/519419295.db2.gz SWKVZERFUNLQLU-GOSISDBHSA-N 1 1 374.485 1.917 50 0 FDAAMO CCC(=O)N[C@@H](CCSC)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040154935 519641925 /nfs/dbraw/zinc/64/19/25/519641925.db2.gz FECYCXCIRXWPGZ-KRWDZBQOSA-N 1 1 363.527 1.979 50 0 FDAAMO CCC[C@@H]1C[N@H+](Cc2cc(=O)n3nc(CC)sc3n2)C[C@H]1NC(C)=O ZINC000082096654 520839177 /nfs/dbraw/zinc/83/91/77/520839177.db2.gz HIFVQHVKGLZZDN-TZMCWYRMSA-N 1 1 363.487 1.450 50 0 FDAAMO CCC[C@@H]1C[N@@H+](Cc2cc(=O)n3nc(CC)sc3n2)C[C@H]1NC(C)=O ZINC000082096654 520839186 /nfs/dbraw/zinc/83/91/86/520839186.db2.gz HIFVQHVKGLZZDN-TZMCWYRMSA-N 1 1 363.487 1.450 50 0 FDAAMO CCCc1nc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000091585924 521477290 /nfs/dbraw/zinc/47/72/90/521477290.db2.gz BGNOOWHHWZSXOX-ZIAGYGMSSA-N 1 1 353.488 1.108 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000020722429 521657337 /nfs/dbraw/zinc/65/73/37/521657337.db2.gz MRYPJLYUZHMXJS-ZDUSSCGKSA-N 1 1 360.414 1.968 50 0 FDAAMO CCN1CCN(C(=O)[C@@H](C)[N@@H+](C)C2CCN(Cc3ccncc3)CC2)CC1 ZINC000089977274 521667142 /nfs/dbraw/zinc/66/71/42/521667142.db2.gz RHQMDXKFZVKRKJ-GOSISDBHSA-N 1 1 373.545 1.530 50 0 FDAAMO CCN1CC[NH+](C[C@@H](O)COCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000019790811 521684950 /nfs/dbraw/zinc/68/49/50/521684950.db2.gz YPYDJTIBVCWXPH-MRXNPFEDSA-N 1 1 368.474 1.227 50 0 FDAAMO COCCCNC(=O)C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000056308473 521835232 /nfs/dbraw/zinc/83/52/32/521835232.db2.gz KKIFTQSMQVUOQH-UHFFFAOYSA-N 1 1 359.470 1.440 50 0 FDAAMO Cn1c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc(=O)n(C)c1=O ZINC000057364767 522074330 /nfs/dbraw/zinc/07/43/30/522074330.db2.gz RMFZTTIXORIGJM-HNNXBMFYSA-N 1 1 357.410 1.192 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057554884 522109169 /nfs/dbraw/zinc/10/91/69/522109169.db2.gz JWZMOZHGCVDTJX-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057554884 522109179 /nfs/dbraw/zinc/10/91/79/522109179.db2.gz JWZMOZHGCVDTJX-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO Cc1ncoc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071499082 522115638 /nfs/dbraw/zinc/11/56/38/522115638.db2.gz RGWMSXWLRPACMX-AWEZNQCLSA-N 1 1 360.458 1.578 50 0 FDAAMO CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071748054 522123831 /nfs/dbraw/zinc/12/38/31/522123831.db2.gz GKMHCWJNDXCFPB-QGZVFWFLSA-N 1 1 358.486 1.811 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1 ZINC000071754416 522126745 /nfs/dbraw/zinc/12/67/45/522126745.db2.gz NHGWSOATVCWLHE-IBGZPJMESA-N 1 1 371.529 1.190 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1 ZINC000071754416 522126751 /nfs/dbraw/zinc/12/67/51/522126751.db2.gz NHGWSOATVCWLHE-IBGZPJMESA-N 1 1 371.529 1.190 50 0 FDAAMO CC(=O)c1cccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000071768196 522134470 /nfs/dbraw/zinc/13/44/70/522134470.db2.gz OZKSHGUHMLGDQL-UHFFFAOYSA-N 1 1 357.454 1.835 50 0 FDAAMO C[N@@H+](Cc1ccccc1)C1(C(=O)NC[C@H](O)CO)Cc2ccccc2C1 ZINC000072132077 522162277 /nfs/dbraw/zinc/16/22/77/522162277.db2.gz UWHSCWLSNYQXJY-IBGZPJMESA-N 1 1 354.450 1.125 50 0 FDAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000072151505 522178363 /nfs/dbraw/zinc/17/83/63/522178363.db2.gz AIDCGFQFPDNYQV-QGZVFWFLSA-N 1 1 352.500 1.792 50 0 FDAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000072162465 522189009 /nfs/dbraw/zinc/18/90/09/522189009.db2.gz UZOPFFCNLAXYFX-KRWDZBQOSA-N 1 1 367.384 1.755 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1nccs1)C1CC1 ZINC000072166326 522195070 /nfs/dbraw/zinc/19/50/70/522195070.db2.gz FHSIBNYLRVYQQD-OAHLLOKOSA-N 1 1 364.515 1.871 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1nccs1)C1CC1 ZINC000072166326 522195080 /nfs/dbraw/zinc/19/50/80/522195080.db2.gz FHSIBNYLRVYQQD-OAHLLOKOSA-N 1 1 364.515 1.871 50 0 FDAAMO CN(C)c1nc(N)nc(CNc2nc(C3CCCC3)nc3c2C[NH2+]C3)n1 ZINC000072167241 522195319 /nfs/dbraw/zinc/19/53/19/522195319.db2.gz ZEOBAQPCBCCUOT-UHFFFAOYSA-N 1 1 355.450 1.183 50 0 FDAAMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 ZINC000089943507 522203745 /nfs/dbraw/zinc/20/37/45/522203745.db2.gz DSFBKIHXWOWFMT-TZMCWYRMSA-N 1 1 363.483 1.648 50 0 FDAAMO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072407631 522236611 /nfs/dbraw/zinc/23/66/11/522236611.db2.gz ZIHAZGDIYAIUSW-OAHLLOKOSA-N 1 1 373.505 1.183 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000072419379 522248054 /nfs/dbraw/zinc/24/80/54/522248054.db2.gz AUJYHPUFRTWVMZ-OAHLLOKOSA-N 1 1 359.474 1.744 50 0 FDAAMO CCCCCn1nc(C(=O)NCC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC000058342319 522248870 /nfs/dbraw/zinc/24/88/70/522248870.db2.gz BJJRKHUWJZFGPN-UHFFFAOYSA-N 1 1 374.485 1.895 50 0 FDAAMO COc1cc(CN2CCC[C@](O)(CO)C2)ccc1OCC[NH+]1CCCC1 ZINC000072423368 522255602 /nfs/dbraw/zinc/25/56/02/522255602.db2.gz QCSWWLDUNQRDPE-HXUWFJFHSA-N 1 1 364.486 1.489 50 0 FDAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)co1 ZINC000072426092 522258042 /nfs/dbraw/zinc/25/80/42/522258042.db2.gz SVCXBTZZPSMFPL-OAHLLOKOSA-N 1 1 360.462 1.323 50 0 FDAAMO Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)co1 ZINC000072426092 522258050 /nfs/dbraw/zinc/25/80/50/522258050.db2.gz SVCXBTZZPSMFPL-OAHLLOKOSA-N 1 1 360.462 1.323 50 0 FDAAMO CC(C)C(=O)NCC(=O)N(C)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072433881 522272114 /nfs/dbraw/zinc/27/21/14/522272114.db2.gz AVGCFVHIKRLHMI-GOSISDBHSA-N 1 1 357.498 1.849 50 0 FDAAMO Cn1ccnc1C[N@@H+]1CCc2ncnc(NC[C@H]3CCCOC3)c2CC1 ZINC000072440190 522280824 /nfs/dbraw/zinc/28/08/24/522280824.db2.gz DSVRWLNUVZEJJB-OAHLLOKOSA-N 1 1 356.474 1.649 50 0 FDAAMO Cn1ccnc1C[N@H+]1CCc2ncnc(NC[C@H]3CCCOC3)c2CC1 ZINC000072440190 522280837 /nfs/dbraw/zinc/28/08/37/522280837.db2.gz DSVRWLNUVZEJJB-OAHLLOKOSA-N 1 1 356.474 1.649 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3nc(C)c(C)cc3=O)CC2)c1 ZINC000072479087 522303533 /nfs/dbraw/zinc/30/35/33/522303533.db2.gz HSHYWDYUDRFAGU-UHFFFAOYSA-N 1 1 354.454 1.513 50 0 FDAAMO CCc1nc2c(c(NCc3n[nH]c(-c4ccncc4)n3)n1)CC[NH2+]CC2 ZINC000072481605 522309026 /nfs/dbraw/zinc/30/90/26/522309026.db2.gz FCXMHBDJBLDCIE-UHFFFAOYSA-N 1 1 350.430 1.519 50 0 FDAAMO CC(C)C(=O)NCc1cnn(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000065213270 522789924 /nfs/dbraw/zinc/78/99/24/522789924.db2.gz GHYCGOMFUPSNBM-UHFFFAOYSA-N 1 1 369.469 1.532 50 0 FDAAMO O=c1oc2ccccc2n1CC[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC000065407859 522815288 /nfs/dbraw/zinc/81/52/88/522815288.db2.gz ZZLHEENCJIKENO-UHFFFAOYSA-N 1 1 359.817 1.860 50 0 FDAAMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CC=C(c2cnn(CCO)c2)CC1 ZINC000065395073 522815533 /nfs/dbraw/zinc/81/55/33/522815533.db2.gz YLOLCBDXCZCBSG-INIZCTEOSA-N 1 1 366.465 1.942 50 0 FDAAMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CC=C(c2cnn(CCO)c2)CC1 ZINC000065395073 522815544 /nfs/dbraw/zinc/81/55/44/522815544.db2.gz YLOLCBDXCZCBSG-INIZCTEOSA-N 1 1 366.465 1.942 50 0 FDAAMO Cc1cc(C[C@@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)n[nH]1 ZINC000065454609 522823097 /nfs/dbraw/zinc/82/30/97/522823097.db2.gz RPNGTSDRMNZGBP-CYBMUJFWSA-N 1 1 357.458 1.670 50 0 FDAAMO O=C(NCCc1ccncc1)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000065459400 522824472 /nfs/dbraw/zinc/82/44/72/522824472.db2.gz MQGHVHQDLVRKOD-TZIWHRDSSA-N 1 1 350.466 1.462 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077355540 523306453 /nfs/dbraw/zinc/30/64/53/523306453.db2.gz HCNQMWPCXSECLP-LJQANCHMSA-N 1 1 362.474 1.059 50 0 FDAAMO Cc1ccc([C@@H]2CN(C(=O)C3CCS(=O)(=O)CC3)C[C@H]2[NH+](C)C)cc1 ZINC000077421959 523332130 /nfs/dbraw/zinc/33/21/30/523332130.db2.gz NQJIIQWDMPBOSE-ZWKOTPCHSA-N 1 1 364.511 1.676 50 0 FDAAMO CN1C(=O)[C@H](CC(=O)N2CCC([N@@H+](C)Cc3ccccc3)CC2)N(C)C1=O ZINC000091440678 523344136 /nfs/dbraw/zinc/34/41/36/523344136.db2.gz FBQYYGLMMKLWCM-KRWDZBQOSA-N 1 1 372.469 1.392 50 0 FDAAMO CN1CCC[C@](O)(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)C1=O ZINC000067434047 523447210 /nfs/dbraw/zinc/44/72/10/523447210.db2.gz AHWGTASPYGEFDU-IBGZPJMESA-N 1 1 374.510 1.792 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@@H+](C)CC3(CO)CCC3)C2=O)c1 ZINC000067540807 523488222 /nfs/dbraw/zinc/48/82/22/523488222.db2.gz POSOJYXKKOLCSZ-OAQYLSRUSA-N 1 1 360.498 1.943 50 0 FDAAMO Cc1nnsc1C(=O)N1CCN(c2cc(-n3ccnc3)nc(C)[nH+]2)CC1 ZINC000067630223 523527063 /nfs/dbraw/zinc/52/70/63/523527063.db2.gz YEZSZHYMVAFSMY-UHFFFAOYSA-N 1 1 370.442 1.093 50 0 FDAAMO C[N@H+]1CC[C@@](C)(CNC(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)C1 ZINC000067654144 523533825 /nfs/dbraw/zinc/53/38/25/523533825.db2.gz QRPARJCSEKDSHC-IBGZPJMESA-N 1 1 372.425 1.789 50 0 FDAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+]3CCCNC(=O)C3)C2=O)cc1 ZINC000067696200 523546918 /nfs/dbraw/zinc/54/69/18/523546918.db2.gz QITOHKGERQQTKY-NRFANRHFSA-N 1 1 373.497 1.485 50 0 FDAAMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCc4c(c(CO)nn4C)C3)cc2c1 ZINC000067756749 523571709 /nfs/dbraw/zinc/57/17/09/523571709.db2.gz ZCJPKLJVDGWKKC-UHFFFAOYSA-N 1 1 368.437 1.711 50 0 FDAAMO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CCc4c(c(CO)nn4C)C3)cc2c1 ZINC000067756749 523571715 /nfs/dbraw/zinc/57/17/15/523571715.db2.gz ZCJPKLJVDGWKKC-UHFFFAOYSA-N 1 1 368.437 1.711 50 0 FDAAMO CC[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000067847254 523608466 /nfs/dbraw/zinc/60/84/66/523608466.db2.gz VZNVEPMHGRDNCO-AWEZNQCLSA-N 1 1 350.440 1.546 50 0 FDAAMO CC[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000067847254 523608475 /nfs/dbraw/zinc/60/84/75/523608475.db2.gz VZNVEPMHGRDNCO-AWEZNQCLSA-N 1 1 350.440 1.546 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc3c(cccc3C)n2C)C[C@@H]1CO ZINC000091651543 523619699 /nfs/dbraw/zinc/61/96/99/523619699.db2.gz BZTFHLHWQXQBLG-IAGOWNOFSA-N 1 1 373.497 1.745 50 0 FDAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@@H+](C)CCC(N)=O)C2=O)cc1 ZINC000067920227 523635021 /nfs/dbraw/zinc/63/50/21/523635021.db2.gz HCBVAMHNJFWKCA-FQEVSTJZSA-N 1 1 361.486 1.471 50 0 FDAAMO CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)c(C)c1 ZINC000067946221 523643903 /nfs/dbraw/zinc/64/39/03/523643903.db2.gz UADBCNXWICUBGX-UHFFFAOYSA-N 1 1 358.486 1.805 50 0 FDAAMO CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)c(C)c1 ZINC000067946221 523643913 /nfs/dbraw/zinc/64/39/13/523643913.db2.gz UADBCNXWICUBGX-UHFFFAOYSA-N 1 1 358.486 1.805 50 0 FDAAMO CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)c(C)c1 ZINC000067946221 523643922 /nfs/dbraw/zinc/64/39/22/523643922.db2.gz UADBCNXWICUBGX-UHFFFAOYSA-N 1 1 358.486 1.805 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000067973940 523655364 /nfs/dbraw/zinc/65/53/64/523655364.db2.gz MPWSVUGVMTWOKY-GOSISDBHSA-N 1 1 360.502 1.521 50 0 FDAAMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000079096042 523702629 /nfs/dbraw/zinc/70/26/29/523702629.db2.gz WQIBUKIPBXOCNN-AWEZNQCLSA-N 1 1 353.415 1.980 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189530 523721331 /nfs/dbraw/zinc/72/13/31/523721331.db2.gz QSHDOFBECMHGOI-KBXCAEBGSA-N 1 1 354.454 1.846 50 0 biogenic FDAAMO CCCC(=O)Nc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000055131434 523753736 /nfs/dbraw/zinc/75/37/36/523753736.db2.gz XMHDNOAJLSGQSK-KRWDZBQOSA-N 1 1 361.486 1.788 50 0 FDAAMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000240454732 524097217 /nfs/dbraw/zinc/09/72/17/524097217.db2.gz FYIPAPKPWFFYRB-RBUKOAKNSA-N 1 1 350.551 1.735 50 0 FDAAMO Cc1c(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cnn1C ZINC000091321386 524690641 /nfs/dbraw/zinc/69/06/41/524690641.db2.gz IVHRFZMBAQIDDC-UHFFFAOYSA-N 1 1 368.485 1.738 50 0 FDAAMO CSCc1ccc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)o1 ZINC000091325951 524691721 /nfs/dbraw/zinc/69/17/21/524691721.db2.gz PCUNEEDGRRLBTL-QGZVFWFLSA-N 1 1 351.472 1.569 50 0 FDAAMO CSCc1ccc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)o1 ZINC000091325951 524691725 /nfs/dbraw/zinc/69/17/25/524691725.db2.gz PCUNEEDGRRLBTL-QGZVFWFLSA-N 1 1 351.472 1.569 50 0 FDAAMO COc1ccc(N[C@@H]2CCCN(C(=O)CCN3CC[NH+](C)CC3)C2)cc1 ZINC000020271021 524703092 /nfs/dbraw/zinc/70/30/92/524703092.db2.gz LPPZMBWNSFBSSL-GOSISDBHSA-N 1 1 360.502 1.736 50 0 FDAAMO Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)cc1 ZINC000091444468 524705357 /nfs/dbraw/zinc/70/53/57/524705357.db2.gz PFVOLJLNJLUTQU-QZTJIDSGSA-N 1 1 367.515 1.060 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1COc3ccccc3C1)CC2 ZINC000091475374 524713392 /nfs/dbraw/zinc/71/33/92/524713392.db2.gz BWFQPQKWYIRZQO-MRXNPFEDSA-N 1 1 366.465 1.967 50 0 FDAAMO O=C(c1cn2cccnc2n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091603093 524737336 /nfs/dbraw/zinc/73/73/36/524737336.db2.gz NQKJMDDRASBRRQ-DOTOQJQBSA-N 1 1 362.437 1.861 50 0 FDAAMO O=C(c1cn2cccnc2n1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091603093 524737343 /nfs/dbraw/zinc/73/73/43/524737343.db2.gz NQKJMDDRASBRRQ-DOTOQJQBSA-N 1 1 362.437 1.861 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc[nH]c1=O)CC2 ZINC000091645326 524750797 /nfs/dbraw/zinc/75/07/97/524750797.db2.gz VAJFMUACTQCUIN-UHFFFAOYSA-N 1 1 369.469 1.744 50 0 FDAAMO CC(C)c1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)no1 ZINC000091664374 524756741 /nfs/dbraw/zinc/75/67/41/524756741.db2.gz NJBDJYREFBOVME-QKPAOTATSA-N 1 1 365.474 1.588 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](Cc2cncn2C2CC2)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC000091746532 524773541 /nfs/dbraw/zinc/77/35/41/524773541.db2.gz GYZXQCOTRVSXRD-CVEARBPZSA-N 1 1 359.474 1.056 50 0 FDAAMO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000091782372 524785136 /nfs/dbraw/zinc/78/51/36/524785136.db2.gz WFMSQUPAAXDVSW-MSOLQXFVSA-N 1 1 369.469 1.229 50 0 FDAAMO CC(C)c1cc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)on1 ZINC000091794102 524787057 /nfs/dbraw/zinc/78/70/57/524787057.db2.gz MSCQNXCHTANKST-IAGOWNOFSA-N 1 1 350.507 1.476 50 0 FDAAMO CC(C)c1cc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)on1 ZINC000091794102 524787076 /nfs/dbraw/zinc/78/70/76/524787076.db2.gz MSCQNXCHTANKST-IAGOWNOFSA-N 1 1 350.507 1.476 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1F ZINC000091829162 524793153 /nfs/dbraw/zinc/79/31/53/524793153.db2.gz DGPKGWRLVKNNDE-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cc1F ZINC000091829162 524793161 /nfs/dbraw/zinc/79/31/61/524793161.db2.gz DGPKGWRLVKNNDE-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO CC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000096099744 525133206 /nfs/dbraw/zinc/13/32/06/525133206.db2.gz IKQGICYTYZQERL-QGZVFWFLSA-N 1 1 366.483 1.499 50 0 FDAAMO COCCN1CC[C@H]([N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)C1=O ZINC000097111890 525171600 /nfs/dbraw/zinc/17/16/00/525171600.db2.gz AHPDHKXYMMAQQI-IBGZPJMESA-N 1 1 373.497 1.401 50 0 FDAAMO COCCN1CC[C@H]([N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)C1=O ZINC000097111890 525171604 /nfs/dbraw/zinc/17/16/04/525171604.db2.gz AHPDHKXYMMAQQI-IBGZPJMESA-N 1 1 373.497 1.401 50 0 FDAAMO COCCn1cc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)ccc1=O ZINC000097088820 525171984 /nfs/dbraw/zinc/17/19/84/525171984.db2.gz MNVZWLYQSWRQLM-UHFFFAOYSA-N 1 1 359.445 1.952 50 0 FDAAMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3[nH]nc4ccccc43)C2)cn1 ZINC000097137297 525174848 /nfs/dbraw/zinc/17/48/48/525174848.db2.gz CRHSTXSEAQQRRV-AWEZNQCLSA-N 1 1 351.410 1.971 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3[nH]nc4ccccc43)C2)cn1 ZINC000097137297 525174857 /nfs/dbraw/zinc/17/48/57/525174857.db2.gz CRHSTXSEAQQRRV-AWEZNQCLSA-N 1 1 351.410 1.971 50 0 FDAAMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000153646980 525276890 /nfs/dbraw/zinc/27/68/90/525276890.db2.gz CEHTYFRDFJNVOS-UHFFFAOYSA-N 1 1 365.437 1.959 50 0 FDAAMO CSCCC[N@H+]1CCCn2nc(CCC(=O)N3CCOCC3)cc2C1 ZINC000091380717 525446345 /nfs/dbraw/zinc/44/63/45/525446345.db2.gz OOAKSKHBGDDJCT-UHFFFAOYSA-N 1 1 366.531 1.633 50 0 FDAAMO CSCCCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082135227 525447782 /nfs/dbraw/zinc/44/77/82/525447782.db2.gz CCCAONUVQZLTRM-KRWDZBQOSA-N 1 1 369.575 1.775 50 0 FDAAMO CSCCCN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082135227 525447788 /nfs/dbraw/zinc/44/77/88/525447788.db2.gz CCCAONUVQZLTRM-KRWDZBQOSA-N 1 1 369.575 1.775 50 0 FDAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000106864923 525806733 /nfs/dbraw/zinc/80/67/33/525806733.db2.gz ALTNJGPPAOQPLT-KFWWJZLASA-N 1 1 352.504 1.680 50 0 FDAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000106864923 525806748 /nfs/dbraw/zinc/80/67/48/525806748.db2.gz ALTNJGPPAOQPLT-KFWWJZLASA-N 1 1 352.504 1.680 50 0 FDAAMO OC[C@@H]1CCCN1c1cc(N2CC[NH+](Cc3cccs3)CC2)ncn1 ZINC000110115255 526223137 /nfs/dbraw/zinc/22/31/37/526223137.db2.gz CGDVGCBOMZJGQW-HNNXBMFYSA-N 1 1 359.499 1.821 50 0 FDAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2cccc(C)c2n1 ZINC000082097704 526267206 /nfs/dbraw/zinc/26/72/06/526267206.db2.gz MSEUQGCOUWYKHL-OAHLLOKOSA-N 1 1 354.454 1.779 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000091624686 526454906 /nfs/dbraw/zinc/45/49/06/526454906.db2.gz YXYCROSRPLEFOA-MRXNPFEDSA-N 1 1 359.445 1.871 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000091624686 526454909 /nfs/dbraw/zinc/45/49/09/526454909.db2.gz YXYCROSRPLEFOA-MRXNPFEDSA-N 1 1 359.445 1.871 50 0 FDAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000252444043 526810046 /nfs/dbraw/zinc/81/00/46/526810046.db2.gz VWHBBNYZHLFHNZ-CABCVRRESA-N 1 1 362.474 1.784 50 0 FDAAMO O=C(c1cncc(Br)c1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436582 526879333 /nfs/dbraw/zinc/87/93/33/526879333.db2.gz ULXPZLZXULDSTQ-CQSZACIVSA-N 1 1 354.248 1.373 50 0 FDAAMO Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000091351005 527054696 /nfs/dbraw/zinc/05/46/96/527054696.db2.gz ZGGKDTIZJFYGQO-UHFFFAOYSA-N 1 1 371.489 1.934 50 0 FDAAMO CCCCS(=O)(=O)N1CCN(c2cc(-n3cc[nH+]c3C)ncn2)CC1 ZINC000035598107 535334685 /nfs/dbraw/zinc/33/46/85/535334685.db2.gz WFCIBQPKNFCEKV-UHFFFAOYSA-N 1 1 364.475 1.223 50 0 FDAAMO CCNC(=O)N1CCO[C@H](C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)C1 ZINC000034667087 535791480 /nfs/dbraw/zinc/79/14/80/535791480.db2.gz YUEOEOCOPVODOK-LJQANCHMSA-N 1 1 360.502 1.856 50 0 FDAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000095381246 536361941 /nfs/dbraw/zinc/36/19/41/536361941.db2.gz FKVLCWKKULQVSG-AWEZNQCLSA-N 1 1 357.462 1.124 50 0 FDAAMO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095381246 536361942 /nfs/dbraw/zinc/36/19/42/536361942.db2.gz FKVLCWKKULQVSG-AWEZNQCLSA-N 1 1 357.462 1.124 50 0 FDAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000095381246 536361945 /nfs/dbraw/zinc/36/19/45/536361945.db2.gz FKVLCWKKULQVSG-AWEZNQCLSA-N 1 1 357.462 1.124 50 0 FDAAMO C[NH+]1CCN(c2ncc(NC(=O)Nc3ccc4c(c3)OCO4)cn2)CC1 ZINC000075162027 536426757 /nfs/dbraw/zinc/42/67/57/536426757.db2.gz WGWGMAIVTNPDBO-UHFFFAOYSA-N 1 1 356.386 1.601 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1cn2ccccc2n1 ZINC000257189365 537252676 /nfs/dbraw/zinc/25/26/76/537252676.db2.gz NSKGAZKWAHQOCO-DLBZAZTESA-N 1 1 350.422 1.557 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1nc2ccc(Cl)cn2c1F ZINC000215904261 537444494 /nfs/dbraw/zinc/44/44/94/537444494.db2.gz YRTRLZADKAFBLW-LBPRGKRZSA-N 1 1 354.813 1.703 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000223217677 537520792 /nfs/dbraw/zinc/52/07/92/537520792.db2.gz BHPMEZSMWXXVLT-IAGOWNOFSA-N 1 1 372.469 1.488 50 0 FDAAMO CSc1ncc(C(=O)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)cn1 ZINC000223691409 537532151 /nfs/dbraw/zinc/53/21/51/537532151.db2.gz GTQVPDQSPJIDOL-INIZCTEOSA-N 1 1 363.531 1.831 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Cn2cnnn2)cc1 ZINC000230206776 537579325 /nfs/dbraw/zinc/57/93/25/537579325.db2.gz FIOPSNGSGPHISC-ROUUACIJSA-N 1 1 354.458 1.716 50 0 FDAAMO CN(C)S(=O)(=O)CCCN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000240163542 537645398 /nfs/dbraw/zinc/64/53/98/537645398.db2.gz JBUDCNHARYMIMK-UHFFFAOYSA-N 1 1 353.532 1.864 50 0 FDAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)N1CCOCC1)NCc1cccs1 ZINC000244811685 537653236 /nfs/dbraw/zinc/65/32/36/537653236.db2.gz SJJBCSCXSKVQPE-HNNXBMFYSA-N 1 1 351.472 1.078 50 0 FDAAMO C[C@H](C[NH+]1CCOCC1)C(=O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000245239682 537655832 /nfs/dbraw/zinc/65/58/32/537655832.db2.gz LPKMRVSHCPZGGD-XUJVJEKNSA-N 1 1 363.380 1.594 50 0 FDAAMO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000426662433 538119575 /nfs/dbraw/zinc/11/95/75/538119575.db2.gz OPWUTUYBFDUTCR-AWEZNQCLSA-N 1 1 351.495 1.553 50 0 FDAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000426662433 538119579 /nfs/dbraw/zinc/11/95/79/538119579.db2.gz OPWUTUYBFDUTCR-AWEZNQCLSA-N 1 1 351.495 1.553 50 0 FDAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000426662433 538119583 /nfs/dbraw/zinc/11/95/83/538119583.db2.gz OPWUTUYBFDUTCR-AWEZNQCLSA-N 1 1 351.495 1.553 50 0 FDAAMO CS(=O)(=O)N1CCC(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000575553475 550465572 /nfs/dbraw/zinc/46/55/72/550465572.db2.gz ZGDPDCXAMUALPJ-UHFFFAOYSA-N 1 1 352.500 1.733 50 0 FDAAMO O=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000584893139 551565911 /nfs/dbraw/zinc/56/59/11/551565911.db2.gz CCCWBDSGFUYBEG-MRXNPFEDSA-N 1 1 373.501 1.889 50 0 FDAAMO C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](O)c1ccc(O)cc1 ZINC000584893100 551566092 /nfs/dbraw/zinc/56/60/92/551566092.db2.gz MTJLSBIZUBELEO-BASYENTBSA-N 1 1 365.474 1.613 50 0 FDAAMO C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)C1 ZINC000624137429 556542830 /nfs/dbraw/zinc/54/28/30/556542830.db2.gz LGRUJXRCPMIXLR-GJZGRUSLSA-N 1 1 365.499 1.589 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000625762310 556920891 /nfs/dbraw/zinc/92/08/91/556920891.db2.gz SNLKAEHAFNTIDD-INIZCTEOSA-N 1 1 368.499 1.348 50 0 FDAAMO Cc1nnc(SCCNC(=O)N2CCC([NH+]3CCSCC3)CC2)[nH]1 ZINC000426544535 570615268 /nfs/dbraw/zinc/61/52/68/570615268.db2.gz WMSAVJOQJRIDMQ-UHFFFAOYSA-N 1 1 370.548 1.428 50 0 FDAAMO CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000045608403 570909670 /nfs/dbraw/zinc/90/96/70/570909670.db2.gz RARKTKSJTJREDI-UHFFFAOYSA-N 1 1 358.895 1.883 50 0 FDAAMO CN(Cc1ccco1)C(=O)[C@@]12C[N@@H+](Cc3ccnn3C)C[C@H]1COCC2 ZINC000685940422 571099348 /nfs/dbraw/zinc/09/93/48/571099348.db2.gz KOTKOZSECWYXCQ-KXBFYZLASA-N 1 1 358.442 1.510 50 0 FDAAMO CN(Cc1ccco1)C(=O)[C@@]12C[N@@H+](Cc3ccnn3C)C[C@@H]1COCC2 ZINC000685940419 571099766 /nfs/dbraw/zinc/09/97/66/571099766.db2.gz KOTKOZSECWYXCQ-BEFAXECRSA-N 1 1 358.442 1.510 50 0 FDAAMO CCOc1cc(C[NH2+][C@H]2COC[C@H]2Oc2cn[nH]c2)c(F)cc1OC ZINC000685940914 571100474 /nfs/dbraw/zinc/10/04/74/571100474.db2.gz KDFGRVPIJHALAH-WMLDXEAASA-N 1 1 351.378 1.892 50 0 FDAAMO COc1ccc(F)c(C[NH2+]C[C@H]2C[C@H](c3n[nH]c(=O)n3C)C[C@H]2O)c1 ZINC000685941624 571101760 /nfs/dbraw/zinc/10/17/60/571101760.db2.gz ZYBWWFIQGKVBEY-JVLSTEMRSA-N 1 1 350.394 1.313 50 0 FDAAMO C[NH+]1CCC(c2ncc(C(=O)N3CC[C@H](Nc4ncccn4)C3)[nH]2)CC1 ZINC000685942539 571102689 /nfs/dbraw/zinc/10/26/89/571102689.db2.gz SJHIXLXKRKUMOQ-AWEZNQCLSA-N 1 1 355.446 1.336 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(O)c1 ZINC000243893327 571112347 /nfs/dbraw/zinc/11/23/47/571112347.db2.gz APUQYQLFGJLSTN-LVKMRUPZSA-N 1 1 363.461 1.690 50 0 FDAAMO Cc1cc(C)n2c(nnc2C(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000244707839 571114670 /nfs/dbraw/zinc/11/46/70/571114670.db2.gz KIMICWKBJZJMJI-INIZCTEOSA-N 1 1 350.426 1.528 50 0 FDAAMO Cc1cc(C)n2c(nnc2C(=O)NC[C@@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000244707839 571114671 /nfs/dbraw/zinc/11/46/71/571114671.db2.gz KIMICWKBJZJMJI-INIZCTEOSA-N 1 1 350.426 1.528 50 0 FDAAMO Cc1ccnc(SCC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)n1 ZINC000244795392 571117346 /nfs/dbraw/zinc/11/73/46/571117346.db2.gz RFNKIIWTJXPOLB-HNNXBMFYSA-N 1 1 350.488 1.182 50 0 FDAAMO CN1C[C@@]2(CCC[N@@H+](CCC(=O)Nc3nnc(C4CC4)s3)C2)OC1=O ZINC000252483719 571131840 /nfs/dbraw/zinc/13/18/40/571131840.db2.gz FHICSFLRMSJFME-MRXNPFEDSA-N 1 1 365.459 1.661 50 0 FDAAMO c1csc(C[NH+]2CCN(c3nccc(N[C@@H]4CCCOC4)n3)CC2)c1 ZINC000333284279 571148148 /nfs/dbraw/zinc/14/81/48/571148148.db2.gz QDPTXROVMPKVPN-OAHLLOKOSA-N 1 1 359.499 2.451 50 0 FDAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)N1CCOCC1 ZINC000082115153 571165047 /nfs/dbraw/zinc/16/50/47/571165047.db2.gz BSIQMEQXBIVFBK-UHFFFAOYSA-N 1 1 361.490 1.963 50 0 FDAAMO CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000299171953 571191800 /nfs/dbraw/zinc/19/18/00/571191800.db2.gz XWHWLUDCHDESLO-KRWDZBQOSA-N 1 1 365.499 1.145 50 0 FDAAMO c1cnn(Cc2ccccc2C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299759395 571192717 /nfs/dbraw/zinc/19/27/17/571192717.db2.gz RCFTVDBIDKOINA-OALUTQOASA-N 1 1 350.426 1.869 50 0 FDAAMO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1 ZINC000299764565 571194320 /nfs/dbraw/zinc/19/43/20/571194320.db2.gz JDULIJHDTWLFIK-QZTJIDSGSA-N 1 1 369.531 1.216 50 0 FDAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)cc1 ZINC000299764565 571194321 /nfs/dbraw/zinc/19/43/21/571194321.db2.gz JDULIJHDTWLFIK-QZTJIDSGSA-N 1 1 369.531 1.216 50 0 FDAAMO COc1cccc(C(=O)NCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)c1 ZINC000299765925 571194581 /nfs/dbraw/zinc/19/45/81/571194581.db2.gz ZTUBFSSGPUNDNS-IRXDYDNUSA-N 1 1 363.458 1.039 50 0 FDAAMO C[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1cnn(-c2ccccc2F)c1 ZINC000299766908 571194920 /nfs/dbraw/zinc/19/49/20/571194920.db2.gz CMYOAKDJUXUGPW-HNNXBMFYSA-N 1 1 359.449 1.826 50 0 FDAAMO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)c3c(C)noc3C)cc2C1 ZINC000299778647 571197253 /nfs/dbraw/zinc/19/72/53/571197253.db2.gz KFOICZIDGPWAMI-UHFFFAOYSA-N 1 1 367.475 1.582 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)c3c(C)noc3C)cc2C1 ZINC000299778647 571197254 /nfs/dbraw/zinc/19/72/54/571197254.db2.gz KFOICZIDGPWAMI-UHFFFAOYSA-N 1 1 367.475 1.582 50 0 FDAAMO C[N@H+](CCC(=O)N1CCC(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000299781492 571198185 /nfs/dbraw/zinc/19/81/85/571198185.db2.gz VCFMFKONWOYIFY-KRWDZBQOSA-N 1 1 365.499 1.297 50 0 FDAAMO C[N@@H+](CCC(=O)N1CCC(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000299781492 571198188 /nfs/dbraw/zinc/19/81/88/571198188.db2.gz VCFMFKONWOYIFY-KRWDZBQOSA-N 1 1 365.499 1.297 50 0 FDAAMO CN1CC[NH+]([C@@H]2CCN(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)C2)CC1 ZINC000299784579 571199133 /nfs/dbraw/zinc/19/91/33/571199133.db2.gz OGZBMDIGECRTHL-CYBMUJFWSA-N 1 1 365.865 1.293 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c2cc(F)ccc2n1 ZINC000299790209 571200504 /nfs/dbraw/zinc/20/05/04/571200504.db2.gz BDOVGXNXVZLNSC-OALUTQOASA-N 1 1 372.444 1.115 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000299792218 571200966 /nfs/dbraw/zinc/20/09/66/571200966.db2.gz DUQMFVVQDYQONP-AWEZNQCLSA-N 1 1 373.457 1.132 50 0 FDAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)NCC3(O)CCCCC3)c2)CC1 ZINC000299800120 571203046 /nfs/dbraw/zinc/20/30/46/571203046.db2.gz VYGFMQKCNYABIH-UHFFFAOYSA-N 1 1 374.485 1.891 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000426376387 571216709 /nfs/dbraw/zinc/21/67/09/571216709.db2.gz OBALVBRREHTLPR-KRWDZBQOSA-N 1 1 361.490 1.272 50 0 FDAAMO CCc1ccc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)[nH]1 ZINC000426555768 571231737 /nfs/dbraw/zinc/23/17/37/571231737.db2.gz AXXHAAGUZYELOL-PWOUQQLPSA-N 1 1 364.493 1.875 50 0 FDAAMO Cc1ccc(CN(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1F ZINC000252484235 571280287 /nfs/dbraw/zinc/28/02/87/571280287.db2.gz FSIRDRLWZJGJJQ-UHFFFAOYSA-N 1 1 364.465 1.828 50 0 FDAAMO NC(=O)C[C@H](c1ccncc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253408531 571312430 /nfs/dbraw/zinc/31/24/30/571312430.db2.gz KVBHFMJFYPNOIM-OAHLLOKOSA-N 1 1 357.410 1.734 50 0 FDAAMO COc1ccc2cc(C(=O)N3CC([NH+]4CCC(C(N)=O)CC4)C3)[nH]c2c1 ZINC000390828276 571328321 /nfs/dbraw/zinc/32/83/21/571328321.db2.gz PRKCQRPSLSIPBM-UHFFFAOYSA-N 1 1 356.426 1.198 50 0 FDAAMO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cc1C(C)C ZINC000670444583 571349942 /nfs/dbraw/zinc/34/99/42/571349942.db2.gz QWLYCZSAEREZOW-HNNXBMFYSA-N 1 1 370.515 1.801 50 0 FDAAMO COc1ccc(S(=O)(=O)NCC[N@H+]2CCC[C@H](CO)C2)cc1C(C)C ZINC000670444583 571349943 /nfs/dbraw/zinc/34/99/43/571349943.db2.gz QWLYCZSAEREZOW-HNNXBMFYSA-N 1 1 370.515 1.801 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)C2)cc1F ZINC000670467854 571359315 /nfs/dbraw/zinc/35/93/15/571359315.db2.gz RFNYVBGRIGBJQF-HNNXBMFYSA-N 1 1 350.438 1.366 50 0 FDAAMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000019761947 670668846 /nfs/dbraw/zinc/66/88/46/670668846.db2.gz NALAROGCCHIAAL-LJQANCHMSA-N 1 1 350.551 1.785 50 0 FDAAMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000019761947 670668849 /nfs/dbraw/zinc/66/88/49/670668849.db2.gz NALAROGCCHIAAL-LJQANCHMSA-N 1 1 350.551 1.785 50 0 FDAAMO CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1F)C2 ZINC000257196792 794063543 /nfs/dbraw/zinc/06/35/43/794063543.db2.gz YWTRMMVMBMHUBL-CJNGLKHVSA-N 1 1 373.432 1.589 50 0 FDAAMO CC(C)[N@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1ccccc1F)C2 ZINC000257196792 794063557 /nfs/dbraw/zinc/06/35/57/794063557.db2.gz YWTRMMVMBMHUBL-CJNGLKHVSA-N 1 1 373.432 1.589 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1)N1CCCC1 ZINC000257196920 794064358 /nfs/dbraw/zinc/06/43/58/794064358.db2.gz ZCRCLKZHBWTLJA-GOSISDBHSA-N 1 1 358.486 1.812 50 0 FDAAMO Cc1nnc([C@@H]2CC[N@@H+](CCCO)CCN2C(=O)Cc2ccccc2)[nH]1 ZINC000675015376 795227842 /nfs/dbraw/zinc/22/78/42/795227842.db2.gz WTIFKQOGEIZIKK-KRWDZBQOSA-N 1 1 357.458 1.314 50 0 FDAAMO Cc1ccc2c(c1)C[N@@H+](CCNC(=O)CCc1ccc(=O)[nH]n1)C[C@H](C)O2 ZINC000299770022 800167243 /nfs/dbraw/zinc/16/72/43/800167243.db2.gz OIDGGONRIKJWTQ-HNNXBMFYSA-N 1 1 370.453 1.410 50 0 FDAAMO Cc1ccc2c(c1)C[N@H+](CCNC(=O)CCc1ccc(=O)[nH]n1)C[C@H](C)O2 ZINC000299770022 800167250 /nfs/dbraw/zinc/16/72/50/800167250.db2.gz OIDGGONRIKJWTQ-HNNXBMFYSA-N 1 1 370.453 1.410 50 0 FDAAMO C[N@H+](CCC(=O)NCCc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000242822447 809735740 /nfs/dbraw/zinc/73/57/40/809735740.db2.gz FLQJZKPDFLUIDP-OAHLLOKOSA-N 1 1 358.891 1.508 50 0 FDAAMO C[N@@H+](CCC(=O)NCCc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000242822447 809735743 /nfs/dbraw/zinc/73/57/43/809735743.db2.gz FLQJZKPDFLUIDP-OAHLLOKOSA-N 1 1 358.891 1.508 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C)nc3)CC2)C12CCOCC2 ZINC000257183827 864490386 /nfs/dbraw/zinc/49/03/86/864490386.db2.gz SINJPPATSXLPDA-SFHVURJKSA-N 1 1 359.470 1.874 50 0 FDAAMO Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CN(C)C)cc1 ZINC000169781266 864511511 /nfs/dbraw/zinc/51/15/11/864511511.db2.gz SKSXRRYHQSKLBJ-UYAOXDASSA-N 1 1 374.529 1.835 50 0 FDAAMO Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]2CN(C)C)cc1 ZINC000169781266 864511516 /nfs/dbraw/zinc/51/15/16/864511516.db2.gz SKSXRRYHQSKLBJ-UYAOXDASSA-N 1 1 374.529 1.835 50 0 FDAAMO Cn1cc(C(=O)N2CCC3(C[N@@H+](Cc4ccccc4)C[C@@H]3CO)CC2)cn1 ZINC000169783581 864526952 /nfs/dbraw/zinc/52/69/52/864526952.db2.gz UPTUOEPTUIDBIH-LJQANCHMSA-N 1 1 368.481 1.767 50 0 FDAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cc2cnc3ncnn3c2)C1 ZINC000012111963 873829751 /nfs/dbraw/zinc/82/97/51/873829751.db2.gz WQLDGODZXDIMFS-SFHVURJKSA-N 1 1 364.453 1.790 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCOCC2)CC1 ZINC000581787930 927573688 /nfs/dbraw/zinc/57/36/88/927573688.db2.gz KNIPGFQRDCHEPP-OAHLLOKOSA-N 1 1 356.463 1.949 50 0 FDAAMO CC(C)N1CCN(C(=O)[C@@]2(CCO)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581811540 927596995 /nfs/dbraw/zinc/59/69/95/927596995.db2.gz MKQKSEULUBJYJN-OAQYLSRUSA-N 1 1 359.514 1.814 50 0 FDAAMO Cc1ccncc1C(=O)N1CCC2(C[C@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803151 927598840 /nfs/dbraw/zinc/59/88/40/927598840.db2.gz UCZBYBMFIGIRCP-GOSISDBHSA-N 1 1 372.513 1.649 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccoc1)CC2 ZINC000581803548 927599933 /nfs/dbraw/zinc/59/99/33/927599933.db2.gz XMAKLWPYEDZIAS-INIZCTEOSA-N 1 1 361.442 1.065 50 0 FDAAMO CC[C@@H](Cn1cncn1)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000585084905 943920623 /nfs/dbraw/zinc/92/06/23/943920623.db2.gz DKDSSQAZKMUFDW-INIZCTEOSA-N 1 1 372.473 1.565 50 0 FDAAMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3n[nH]nc3c2)[C@@H]1c1cccnc1 ZINC000952845811 960143412 /nfs/dbraw/zinc/14/34/12/960143412.db2.gz YZAXUOMFBSOJNK-GUYCJALGSA-N 1 1 372.454 1.324 50 0 FDAAMO COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)c2c1 ZINC000952962430 960244990 /nfs/dbraw/zinc/24/49/90/960244990.db2.gz DNKZZEMLJFLANV-AWEZNQCLSA-N 1 1 358.442 1.033 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000952964987 960249102 /nfs/dbraw/zinc/24/91/02/960249102.db2.gz BAVQHOOHSKJFQW-RBUKOAKNSA-N 1 1 372.513 1.212 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000952964987 960249109 /nfs/dbraw/zinc/24/91/09/960249109.db2.gz BAVQHOOHSKJFQW-RBUKOAKNSA-N 1 1 372.513 1.212 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000952964988 960249308 /nfs/dbraw/zinc/24/93/08/960249308.db2.gz BAVQHOOHSKJFQW-RTBURBONSA-N 1 1 372.513 1.212 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000952964988 960249315 /nfs/dbraw/zinc/24/93/15/960249315.db2.gz BAVQHOOHSKJFQW-RTBURBONSA-N 1 1 372.513 1.212 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000952982152 960296662 /nfs/dbraw/zinc/29/66/62/960296662.db2.gz OYGDKVJLDGJZFU-CABCVRRESA-N 1 1 361.442 1.380 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000952982152 960296668 /nfs/dbraw/zinc/29/66/68/960296668.db2.gz OYGDKVJLDGJZFU-CABCVRRESA-N 1 1 361.442 1.380 50 0 FDAAMO Cc1ccn(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(=O)c1 ZINC000192459010 178114966 /nfs/dbraw/zinc/11/49/66/178114966.db2.gz NCTPPGNMUDEZHD-LJQANCHMSA-N 1 1 369.465 1.430 50 0 FDAAMO CCOc1ccccc1NC(=O)CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000268943694 210007480 /nfs/dbraw/zinc/00/74/80/210007480.db2.gz NGJIPXBQIPDRRM-UHFFFAOYSA-N 1 1 369.487 1.381 50 0 FDAAMO CO[C@H]1C(=O)C[C@]23CC[N@H+](C)[C@@]24C[C@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000261492344 210006051 /nfs/dbraw/zinc/00/60/51/210006051.db2.gz QJDYNQYLCIPODD-VYJAJWGXSA-N 1 1 373.405 1.533 50 0 FDAAMO CO[C@H]1C(=O)C[C@]23CC[N@@H+](C)[C@@]24C[C@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000261492344 210006055 /nfs/dbraw/zinc/00/60/55/210006055.db2.gz QJDYNQYLCIPODD-VYJAJWGXSA-N 1 1 373.405 1.533 50 0 FDAAMO Cc1ccccc1-c1noc(CNC(=O)N2CC[NH+](CCCO)CC2)n1 ZINC000534644136 540394081 /nfs/dbraw/zinc/39/40/81/540394081.db2.gz YQLZCTARHKPEON-UHFFFAOYSA-N 1 1 359.430 1.255 50 0 FDAAMO Cc1ccc(-c2noc([C@H](C)NC(=O)N3CC[NH+](CCCO)CC3)n2)cc1 ZINC000534655887 540395057 /nfs/dbraw/zinc/39/50/57/540395057.db2.gz XDKIPNINWRHOII-HNNXBMFYSA-N 1 1 373.457 1.816 50 0 FDAAMO CCN(C(=O)c1cccc(-c2cc(NC)nc(N)[nH+]2)c1)[C@@H]1CCCC[C@H]1O ZINC000534667885 540398076 /nfs/dbraw/zinc/39/80/76/540398076.db2.gz QMYIMMQOBNHUJA-IAGOWNOFSA-N 1 1 369.469 1.955 50 0 FDAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)CNc2ccc(O)cc2)C1 ZINC000001323414 209388316 /nfs/dbraw/zinc/38/83/16/209388316.db2.gz LFHHUAMCQMHXQL-DAYGRLMNSA-N 1 1 355.438 1.446 50 0 biogenic FDAAMO Cc1cccc2c1ncn(CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c2=O ZINC000106136231 209272649 /nfs/dbraw/zinc/27/26/49/209272649.db2.gz LQTGMLRULLWKLO-ZBFHGGJFSA-N 1 1 356.470 1.942 50 0 FDAAMO Cn1ccnc1-c1nn(C)c2ccc(NC(=O)CN3CC[NH+](C)CC3)cc21 ZINC000041181223 209227543 /nfs/dbraw/zinc/22/75/43/209227543.db2.gz SUYIXEXOTKPPDG-UHFFFAOYSA-N 1 1 367.457 1.160 50 0 FDAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(-n2cnnc2)nc1 ZINC000097823523 209198885 /nfs/dbraw/zinc/19/88/85/209198885.db2.gz ASGPETYEOHAWFE-GOSISDBHSA-N 1 1 362.437 1.882 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)NCCNC(=O)c2ccc(F)cc2)C1 ZINC000097572241 209187632 /nfs/dbraw/zinc/18/76/32/209187632.db2.gz VHSFDLAJUIVFTI-MRXNPFEDSA-N 1 1 351.422 1.171 50 0 FDAAMO CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]2C1=O ZINC000097527275 209184221 /nfs/dbraw/zinc/18/42/21/209184221.db2.gz OBSPZJYHENDTBF-HDICACEKSA-N 1 1 351.406 1.707 50 0 FDAAMO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1 ZINC000096180278 209130487 /nfs/dbraw/zinc/13/04/87/209130487.db2.gz GIEGFWJMIPFDID-KRWDZBQOSA-N 1 1 368.481 1.765 50 0 FDAAMO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)C1 ZINC000096180278 209130490 /nfs/dbraw/zinc/13/04/90/209130490.db2.gz GIEGFWJMIPFDID-KRWDZBQOSA-N 1 1 368.481 1.765 50 0 FDAAMO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnc[nH]2)CC1 ZINC000096165586 209130097 /nfs/dbraw/zinc/13/00/97/209130097.db2.gz QJRPWTVBMSLCNA-MRXNPFEDSA-N 1 1 350.463 1.389 50 0 FDAAMO O=C([O-])[C@@]12C[NH+](C3CCOCC3)C[C@@H]1C[N@H+](CCc1ccc(O)cc1)C2 ZINC000096151324 209125164 /nfs/dbraw/zinc/12/51/64/209125164.db2.gz HXRYVCRLQRTBHU-JXFKEZNVSA-N 1 1 360.454 1.432 50 0 FDAAMO O=C([O-])[C@]12C[NH+](CCc3ccc(O)cc3)C[C@H]1C[N@@H+](C1CCOCC1)C2 ZINC000096151324 209125165 /nfs/dbraw/zinc/12/51/65/209125165.db2.gz HXRYVCRLQRTBHU-JXFKEZNVSA-N 1 1 360.454 1.432 50 0 FDAAMO O=C([O-])[C@]12C[NH+](CCc3ccc(O)cc3)C[C@H]1C[N@H+](C1CCOCC1)C2 ZINC000096151324 209125168 /nfs/dbraw/zinc/12/51/68/209125168.db2.gz HXRYVCRLQRTBHU-JXFKEZNVSA-N 1 1 360.454 1.432 50 0 FDAAMO Cc1[nH+]ccn1CCc1nc(-c2ccncc2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000096148443 209123506 /nfs/dbraw/zinc/12/35/06/209123506.db2.gz PJFRWNAONHKRDL-HNNXBMFYSA-N 1 1 372.454 1.447 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[C@H]2C[NH2+]CCO2)CC3)cc1 ZINC000096142255 209122385 /nfs/dbraw/zinc/12/23/85/209122385.db2.gz KCOGRMJTYFVLPJ-HNNXBMFYSA-N 1 1 356.426 1.349 50 0 FDAAMO CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000008704207 207241940 /nfs/dbraw/zinc/24/19/40/207241940.db2.gz RGZKZSBDCZXKBH-UHFFFAOYSA-N 1 1 366.425 1.469 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)c1 ZINC000011840516 207325977 /nfs/dbraw/zinc/32/59/77/207325977.db2.gz WKRNMRXBRZGNIL-WOJBJXKFSA-N 1 1 372.469 1.148 50 0 FDAAMO Cc1cc(C[N@@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)[nH]n1 ZINC000012147121 207344049 /nfs/dbraw/zinc/34/40/49/207344049.db2.gz XINOHERQZHHUTI-UHFFFAOYSA-N 1 1 358.442 1.588 50 0 FDAAMO Cc1cc(C[N@H+](C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)[nH]n1 ZINC000012147121 207344054 /nfs/dbraw/zinc/34/40/54/207344054.db2.gz XINOHERQZHHUTI-UHFFFAOYSA-N 1 1 358.442 1.588 50 0 FDAAMO Cc1cc(-n2c(C)cc(C[NH+]3CCN(CC(=O)NC4CC4)CC3)c2C)no1 ZINC000022815016 207822011 /nfs/dbraw/zinc/82/20/11/207822011.db2.gz ROHMEAAXZSWKOO-UHFFFAOYSA-N 1 1 371.485 1.787 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000072241393 208184004 /nfs/dbraw/zinc/18/40/04/208184004.db2.gz DTBLMWUXNYFWNZ-DLBZAZTESA-N 1 1 365.861 1.402 50 0 FDAAMO COC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000040162286 208239788 /nfs/dbraw/zinc/23/97/88/208239788.db2.gz JSGOIJHSNQYAAP-UHFFFAOYSA-N 1 1 373.497 1.524 50 0 FDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](CC)CC3)C2=O)cc1 ZINC000019782400 220297108 /nfs/dbraw/zinc/29/71/08/220297108.db2.gz HOYJOMNQPVQDDA-INIZCTEOSA-N 1 1 359.426 1.133 50 0 FDAAMO Cc1cc(C)cc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](C)CC2)c1 ZINC000064836204 208623742 /nfs/dbraw/zinc/62/37/42/208623742.db2.gz BLYZCTJLVQSYKS-UHFFFAOYSA-N 1 1 365.437 1.890 50 0 FDAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)c1N ZINC000021651869 220361987 /nfs/dbraw/zinc/36/19/87/220361987.db2.gz XGZBKCZIIDWUPS-UHFFFAOYSA-N 1 1 371.441 1.409 50 0 FDAAMO Cc1cc(C)n2nc(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc2n1 ZINC000065526375 208687250 /nfs/dbraw/zinc/68/72/50/208687250.db2.gz AWFAZHLZRRIXGL-QGZVFWFLSA-N 1 1 364.453 1.674 50 0 FDAAMO O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1cccc(-n2cnnc2)c1 ZINC000091441649 208977984 /nfs/dbraw/zinc/97/79/84/208977984.db2.gz RTWXIFWGLGRSMN-UHFFFAOYSA-N 1 1 355.442 1.642 50 0 FDAAMO CC(C)N1CCC[C@]2(CC[N@@H+](Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O ZINC000091848999 209000773 /nfs/dbraw/zinc/00/07/73/209000773.db2.gz XOFVBVFCUQKIIV-HXUWFJFHSA-N 1 1 370.453 1.623 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccnc1)CC2 ZINC000091932113 209006095 /nfs/dbraw/zinc/00/60/95/209006095.db2.gz RGDBBAFDOWXFNY-UHFFFAOYSA-N 1 1 355.442 1.327 50 0 FDAAMO NC(=O)C[N@@H+]1C[C@H](NC(=O)Cc2c(F)cccc2Cl)[C@@H](C2CC2)C1 ZINC000091950990 209008327 /nfs/dbraw/zinc/00/83/27/209008327.db2.gz GTEMRXGRVWCWSY-DOMZBBRYSA-N 1 1 353.825 1.334 50 0 FDAAMO NC(=O)C[N@H+]1C[C@H](NC(=O)Cc2c(F)cccc2Cl)[C@@H](C2CC2)C1 ZINC000091950990 209008332 /nfs/dbraw/zinc/00/83/32/209008332.db2.gz GTEMRXGRVWCWSY-DOMZBBRYSA-N 1 1 353.825 1.334 50 0 FDAAMO Cc1nn(C)c(C)c1CCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2C ZINC000091997834 209011031 /nfs/dbraw/zinc/01/10/31/209011031.db2.gz CFIDYYRPDCVXCS-UHFFFAOYSA-N 1 1 370.501 1.698 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)C1=O ZINC000092001491 209011778 /nfs/dbraw/zinc/01/17/78/209011778.db2.gz UQMOJGKVVBPKEQ-SFHVURJKSA-N 1 1 360.414 1.791 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H](c3cccc(C)c3)[NH+](C)C)CC2)no1 ZINC000092022608 209012300 /nfs/dbraw/zinc/01/23/00/209012300.db2.gz AZOGPHVIMAFAQO-SFHVURJKSA-N 1 1 357.458 1.634 50 0 FDAAMO CCn1c(C)cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+](C)CCOC)C2)c1C ZINC000092081071 209017087 /nfs/dbraw/zinc/01/70/87/209017087.db2.gz KXSSFGZEZVKRGV-IAGOWNOFSA-N 1 1 351.491 1.384 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@H+](Cc3cccc4ncccc34)C[C@@H]2CO)CC1 ZINC000095357818 209026239 /nfs/dbraw/zinc/02/62/39/209026239.db2.gz YDPPOMJZXMWYFB-WOJBJXKFSA-N 1 1 368.525 1.913 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@@H+](Cc3cccc4ncccc34)C[C@@H]2CO)CC1 ZINC000095357818 209026242 /nfs/dbraw/zinc/02/62/42/209026242.db2.gz YDPPOMJZXMWYFB-WOJBJXKFSA-N 1 1 368.525 1.913 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@H+](Cc3cccc4c3ccn4C)C[C@@H]2CO)CC1 ZINC000095365879 209031089 /nfs/dbraw/zinc/03/10/89/209031089.db2.gz URORXOBUVRVDGV-WOJBJXKFSA-N 1 1 370.541 1.856 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@@H+](Cc3cccc4c3ccn4C)C[C@@H]2CO)CC1 ZINC000095365879 209031093 /nfs/dbraw/zinc/03/10/93/209031093.db2.gz URORXOBUVRVDGV-WOJBJXKFSA-N 1 1 370.541 1.856 50 0 FDAAMO Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3C[N@H+]2C)nc2c1CCC2 ZINC000095367986 209032489 /nfs/dbraw/zinc/03/24/89/209032489.db2.gz BUUHZOYSNFVJPT-LJQANCHMSA-N 1 1 350.466 1.989 50 0 FDAAMO Cc1nc(CCNC(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)nc2c1CCC2 ZINC000095367986 209032492 /nfs/dbraw/zinc/03/24/92/209032492.db2.gz BUUHZOYSNFVJPT-LJQANCHMSA-N 1 1 350.466 1.989 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)c3ccc(COC)o3)CC[N@@H+]2C)CCC1=O ZINC000095370620 209032978 /nfs/dbraw/zinc/03/29/78/209032978.db2.gz UWDZUIIBEFUEHR-LJQANCHMSA-N 1 1 363.458 1.585 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)c3ccc(COC)o3)CC[N@H+]2C)CCC1=O ZINC000095370620 209032980 /nfs/dbraw/zinc/03/29/80/209032980.db2.gz UWDZUIIBEFUEHR-LJQANCHMSA-N 1 1 363.458 1.585 50 0 FDAAMO O=C([C@@H]1CC(=O)N(Cc2cccnc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000095376974 209039250 /nfs/dbraw/zinc/03/92/50/209039250.db2.gz LAJAFNRFHWFPQQ-GOSISDBHSA-N 1 1 370.497 1.907 50 0 FDAAMO CS(=O)(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095380299 209040655 /nfs/dbraw/zinc/04/06/55/209040655.db2.gz YKPNLLFQTCOEEF-KBRIMQKVSA-N 1 1 350.440 1.237 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)c1ccc(F)cc1 ZINC000095379985 209040954 /nfs/dbraw/zinc/04/09/54/209040954.db2.gz PDFZTMRMDONHBV-KRWDZBQOSA-N 1 1 358.417 1.741 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnn3cc(CCO)cnc13)C2 ZINC000095384640 209042863 /nfs/dbraw/zinc/04/28/63/209042863.db2.gz BGUYWOGNYZPHOK-HZPDHXFCSA-N 1 1 357.458 1.211 50 0 FDAAMO C[C@H]1CN(C(=O)C[NH+]2CCC(CCCN3CCOCC3)CC2)CCO1 ZINC000095468476 209056191 /nfs/dbraw/zinc/05/61/91/209056191.db2.gz ZMONOYNKGCJNEW-KRWDZBQOSA-N 1 1 353.507 1.058 50 0 FDAAMO CC(C)c1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000095948534 209088129 /nfs/dbraw/zinc/08/81/29/209088129.db2.gz ZNSSRDMAVNPMGB-FQEVSTJZSA-N 1 1 359.514 1.911 50 0 FDAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000055408854 221069694 /nfs/dbraw/zinc/06/96/94/221069694.db2.gz ULWSEVKOBANOTM-DLBZAZTESA-N 1 1 371.524 1.721 50 0 FDAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)COC ZINC000095505344 209065475 /nfs/dbraw/zinc/06/54/75/209065475.db2.gz CVOZRTQUMBGPIJ-KRWDZBQOSA-N 1 1 360.498 1.987 50 0 FDAAMO O=C(CN1CCC(c2ccccc2)CC1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000095506206 209065877 /nfs/dbraw/zinc/06/58/77/209065877.db2.gz SLZNKJMFAWJOGH-IFMALSPDSA-N 1 1 371.525 1.829 50 0 FDAAMO CC[C@H]1c2cccn2CCN1C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000077339967 132181237 /nfs/dbraw/zinc/18/12/37/132181237.db2.gz KTLDLWSQXAYILX-KRWDZBQOSA-N 1 1 368.485 1.945 50 0 FDAAMO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](Nc2nc(N)cc[nH+]2)C1 ZINC000091526323 132202068 /nfs/dbraw/zinc/20/20/68/132202068.db2.gz ZLPRADQBPWRLBI-AWEZNQCLSA-N 1 1 369.473 1.936 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccccc2N2CCC(=O)NC2=O)C1 ZINC000095356275 132207109 /nfs/dbraw/zinc/20/71/09/132207109.db2.gz WCUYFTFAQRHFDP-AWEZNQCLSA-N 1 1 370.453 1.832 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3ccc(C)nn3)C2)n1C ZINC000095388428 132210224 /nfs/dbraw/zinc/21/02/24/132210224.db2.gz QLELLPASBBNJCH-HNNXBMFYSA-N 1 1 352.446 1.851 50 0 FDAAMO CCc1cc(N2CCC([N@@H+]3CCOC[C@@H](CO)C3)CC2)nc(N(C)C)n1 ZINC000095505501 132212700 /nfs/dbraw/zinc/21/27/00/132212700.db2.gz QYKVBSPOQTUAIQ-OAHLLOKOSA-N 1 1 363.506 1.015 50 0 FDAAMO CCc1cc(N2CCC([N@H+]3CCOC[C@@H](CO)C3)CC2)nc(N(C)C)n1 ZINC000095505501 132212702 /nfs/dbraw/zinc/21/27/02/132212702.db2.gz QYKVBSPOQTUAIQ-OAHLLOKOSA-N 1 1 363.506 1.015 50 0 FDAAMO COc1cccc(CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)c1OC ZINC000241173053 132289643 /nfs/dbraw/zinc/28/96/43/132289643.db2.gz KFPPWJDTPOUUSL-UHFFFAOYSA-N 1 1 367.413 1.718 50 0 FDAAMO Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC000031276422 136117272 /nfs/dbraw/zinc/11/72/72/136117272.db2.gz NNGXXSMVQIVVIB-UHFFFAOYSA-N 1 1 355.442 1.433 50 0 FDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000056997139 136127981 /nfs/dbraw/zinc/12/79/81/136127981.db2.gz WXDBCLNWHGHBRX-UHFFFAOYSA-N 1 1 353.422 1.967 50 0 FDAAMO NC(=O)c1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071748744 136140070 /nfs/dbraw/zinc/14/00/70/136140070.db2.gz ZRFRQRUOPGSPII-OAHLLOKOSA-N 1 1 371.485 1.140 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(c3ncccc3C(N)=O)C[C@@H]2CCO)c1 ZINC000072407911 136145163 /nfs/dbraw/zinc/14/51/63/136145163.db2.gz XYUVKHYXMIRABP-INIZCTEOSA-N 1 1 370.453 1.262 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3ncccc3C(N)=O)C[C@@H]2CCO)c1 ZINC000072407911 136145164 /nfs/dbraw/zinc/14/51/64/136145164.db2.gz XYUVKHYXMIRABP-INIZCTEOSA-N 1 1 370.453 1.262 50 0 FDAAMO CNc1nc(N2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)nc2c1CCC2 ZINC000072408381 136145338 /nfs/dbraw/zinc/14/53/38/136145338.db2.gz DCXDFNMOXGRJMV-HNNXBMFYSA-N 1 1 371.485 1.982 50 0 FDAAMO CNc1nc(N2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)nc2c1CCC2 ZINC000072408381 136145339 /nfs/dbraw/zinc/14/53/39/136145339.db2.gz DCXDFNMOXGRJMV-HNNXBMFYSA-N 1 1 371.485 1.982 50 0 FDAAMO Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3cnccn3)CC2)[nH+]1 ZINC000072446869 136148168 /nfs/dbraw/zinc/14/81/68/136148168.db2.gz JVOPNECIOCLLIN-UHFFFAOYSA-N 1 1 353.430 1.138 50 0 FDAAMO NC(=O)Cc1nc(CC[N@H+]2C[C@@H]3CC[C@H]2C3)n(-c2ccc3c(c2)OCO3)n1 ZINC000095522244 209074708 /nfs/dbraw/zinc/07/47/08/209074708.db2.gz GNNNEONPJYUYGS-OLZOCXBDSA-N 1 1 369.425 1.051 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000095527155 209075107 /nfs/dbraw/zinc/07/51/07/209075107.db2.gz XAOBWVPYZTXOTP-OAHLLOKOSA-N 1 1 358.486 1.728 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)C1 ZINC000097301433 222173025 /nfs/dbraw/zinc/17/30/25/222173025.db2.gz CVWWWBXRTMRLEN-GOSISDBHSA-N 1 1 368.481 1.784 50 0 FDAAMO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000332261345 259253114 /nfs/dbraw/zinc/25/31/14/259253114.db2.gz DYLVVGYFEIAEEP-LALPHHSUSA-N 1 1 365.396 1.928 50 0 FDAAMO O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000426382603 263570125 /nfs/dbraw/zinc/57/01/25/263570125.db2.gz DMKDIVAUXLWGHH-SFHVURJKSA-N 1 1 358.417 1.630 50 0 FDAAMO Cc1cnc(C)c(N2CCN(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)CC2)n1 ZINC000426490617 263604830 /nfs/dbraw/zinc/60/48/30/263604830.db2.gz SHPNEQVGQXCMHN-GOSISDBHSA-N 1 1 374.533 1.903 50 0 FDAAMO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC000007360486 518417964 /nfs/dbraw/zinc/41/79/64/518417964.db2.gz GTKGJDRGVSFFEL-UHFFFAOYSA-N 1 1 351.422 1.995 50 0 FDAAMO CCOC(=O)N1CCC(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000007360486 518417969 /nfs/dbraw/zinc/41/79/69/518417969.db2.gz GTKGJDRGVSFFEL-UHFFFAOYSA-N 1 1 351.422 1.995 50 0 FDAAMO CCCc1nnc(NC(=O)[C@H](CC)Sc2nc(N)cc(N)[nH+]2)s1 ZINC000008814435 518488661 /nfs/dbraw/zinc/48/86/61/518488661.db2.gz RFXXVEVSJBWWTA-ZETCQYMHSA-N 1 1 353.477 1.954 50 0 FDAAMO Cc1ccccc1Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3C)n(C)c1=O ZINC000010358571 518535383 /nfs/dbraw/zinc/53/53/83/518535383.db2.gz DDCUZISGEBOYKZ-ZDUSSCGKSA-N 1 1 366.425 1.640 50 0 FDAAMO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCN(C)CC3)nc2)C1 ZINC000011766602 518571713 /nfs/dbraw/zinc/57/17/13/518571713.db2.gz GRCIIBUSTQNLLJ-KRWDZBQOSA-N 1 1 359.518 1.541 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCN(C)CC3)nc2)C1 ZINC000011766602 518571714 /nfs/dbraw/zinc/57/17/14/518571714.db2.gz GRCIIBUSTQNLLJ-KRWDZBQOSA-N 1 1 359.518 1.541 50 0 FDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(F)c1)[NH+](C)C ZINC000011898948 518577242 /nfs/dbraw/zinc/57/72/42/518577242.db2.gz SPOZINJANYZBJN-OAHLLOKOSA-N 1 1 350.369 1.661 50 0 FDAAMO CCCNC(=O)[C@@H](C)NC(=O)C[N@H+](C)CCOc1ccc(OC)cc1 ZINC000012746628 518631535 /nfs/dbraw/zinc/63/15/35/518631535.db2.gz URLKVDHERHURHY-CQSZACIVSA-N 1 1 351.447 1.037 50 0 FDAAMO CCCNC(=O)[C@@H](C)NC(=O)C[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000012746628 518631539 /nfs/dbraw/zinc/63/15/39/518631539.db2.gz URLKVDHERHURHY-CQSZACIVSA-N 1 1 351.447 1.037 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000014071337 518673297 /nfs/dbraw/zinc/67/32/97/518673297.db2.gz BORSYCHAUDQZPT-UHFFFAOYSA-N 1 1 370.453 1.688 50 0 FDAAMO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000014120004 518675835 /nfs/dbraw/zinc/67/58/35/518675835.db2.gz OPQLIMGYFHMOSS-LJQANCHMSA-N 1 1 374.441 1.225 50 0 FDAAMO C[C@H]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](CC(N)=O)CC4)cc3c2C1 ZINC000014482372 518691563 /nfs/dbraw/zinc/69/15/63/518691563.db2.gz AHTUYBDUJHHNMN-ZDUSSCGKSA-N 1 1 368.481 1.972 50 0 FDAAMO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([N@@H+](C)CCO)CC2 ZINC000014752856 518698534 /nfs/dbraw/zinc/69/85/34/518698534.db2.gz ZWNGSUVQSXRJLB-INIZCTEOSA-N 1 1 362.518 1.947 50 0 FDAAMO CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000020059699 518843749 /nfs/dbraw/zinc/84/37/49/518843749.db2.gz FAMASTCHDJCXGL-INIZCTEOSA-N 1 1 357.458 1.240 50 0 FDAAMO COc1ccc2c(c1)c1ncn(CCC[NH+]3CCN(C)CC3)c(=O)c1n2C ZINC000020438369 518849254 /nfs/dbraw/zinc/84/92/54/518849254.db2.gz JBLZGLLFIXMABN-UHFFFAOYSA-N 1 1 369.469 1.534 50 0 FDAAMO Cc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](CCO)CC2)cc1 ZINC000020590874 518852932 /nfs/dbraw/zinc/85/29/32/518852932.db2.gz YFEQTYRSKUTDCP-UHFFFAOYSA-N 1 1 352.442 1.297 50 0 FDAAMO Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(N2CC[NH+](C)CC2)n1 ZINC000022607769 518904734 /nfs/dbraw/zinc/90/47/34/518904734.db2.gz OBAABFDCBSQCAX-UHFFFAOYSA-N 1 1 369.473 1.277 50 0 FDAAMO Cc1cccc(NC(=O)CSCC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000022688124 518908022 /nfs/dbraw/zinc/90/80/22/518908022.db2.gz NGXBJPUZRATLNS-UHFFFAOYSA-N 1 1 365.499 1.505 50 0 FDAAMO COc1ccccc1-c1cc2nc(C)cc(N3CC[NH+](CCO)CC3)n2n1 ZINC000023118917 518930533 /nfs/dbraw/zinc/93/05/33/518930533.db2.gz BZNXYOSXDXVNJW-UHFFFAOYSA-N 1 1 367.453 1.828 50 0 FDAAMO COc1cccc(CCC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1OC ZINC000023640988 518959204 /nfs/dbraw/zinc/95/92/04/518959204.db2.gz VOVAFJGTUXUHMG-KRWDZBQOSA-N 1 1 362.470 1.960 50 0 FDAAMO COc1cccc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023995687 518972664 /nfs/dbraw/zinc/97/26/64/518972664.db2.gz VKQLPSCYOHPDGP-UHFFFAOYSA-N 1 1 367.449 1.769 50 0 FDAAMO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024031987 518973720 /nfs/dbraw/zinc/97/37/20/518973720.db2.gz BYROPZFPXVCILE-UHFFFAOYSA-N 1 1 365.477 1.732 50 0 FDAAMO Cn1ncc2c1ncnc2NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000029170866 519276302 /nfs/dbraw/zinc/27/63/02/519276302.db2.gz HNJCWSVDJTUDDE-UHFFFAOYSA-N 1 1 365.485 1.983 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)CC1 ZINC000091595550 519511911 /nfs/dbraw/zinc/51/19/11/519511911.db2.gz HWUPFZUKMSRKDI-MRXNPFEDSA-N 1 1 371.489 1.250 50 0 FDAAMO CCCn1c(=O)cc(C)c2ccc(OCC(=O)N3CC[NH+](C)CC3)cc21 ZINC000034836047 519597522 /nfs/dbraw/zinc/59/75/22/519597522.db2.gz WEWPRGBMGGMSPQ-UHFFFAOYSA-N 1 1 357.454 1.873 50 0 FDAAMO CC(C)[N@H+]1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@H]1CCO ZINC000036385575 519621216 /nfs/dbraw/zinc/62/12/16/519621216.db2.gz QBYWCFCCIIMHEM-CQSZACIVSA-N 1 1 365.503 1.836 50 0 FDAAMO COCCCNC(=S)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000036847413 519629139 /nfs/dbraw/zinc/62/91/39/519629139.db2.gz GIGIKFWVIZUUBI-INIZCTEOSA-N 1 1 350.532 1.698 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)nc1 ZINC000040047132 519638899 /nfs/dbraw/zinc/63/88/99/519638899.db2.gz DKYIIIUXJDQTLL-LJQANCHMSA-N 1 1 366.465 1.923 50 0 FDAAMO C[C@@H]1CN(Cc2ccc(CNC(=S)NCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000040087585 519639769 /nfs/dbraw/zinc/63/97/69/519639769.db2.gz YYOGSVHIEFPKAA-HZPDHXFCSA-N 1 1 364.559 1.822 50 0 FDAAMO CC(C)n1cc(C[N@@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)cn1 ZINC000082107176 519948075 /nfs/dbraw/zinc/94/80/75/519948075.db2.gz AFYYNXSWMJHGSD-UHFFFAOYSA-N 1 1 359.478 1.838 50 0 FDAAMO CC(C)n1cc(C[N@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)cn1 ZINC000082107176 519948081 /nfs/dbraw/zinc/94/80/81/519948081.db2.gz AFYYNXSWMJHGSD-UHFFFAOYSA-N 1 1 359.478 1.838 50 0 FDAAMO CCOCCOc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246961805 520040087 /nfs/dbraw/zinc/04/00/87/520040087.db2.gz DKDHAYKERTZALH-HZPDHXFCSA-N 1 1 368.499 1.959 50 0 FDAAMO CCC[C@H]1C[N@H+](C2CCN(C(=O)C3CC3)CC2)C[C@@H]1NS(C)(=O)=O ZINC000091625373 521219427 /nfs/dbraw/zinc/21/94/27/521219427.db2.gz PQTUSIXOZSRPEC-HOCLYGCPSA-N 1 1 357.520 1.037 50 0 FDAAMO CCOC(=O)c1ccc(Cn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)o1 ZINC000020211553 521479007 /nfs/dbraw/zinc/47/90/07/521479007.db2.gz AVBHSZPOHRZCRK-UHFFFAOYSA-N 1 1 360.414 1.203 50 0 FDAAMO CC[C@H](C)[C@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020136668 522012207 /nfs/dbraw/zinc/01/22/07/522012207.db2.gz KUJSUZHKNNCGDX-KBXCAEBGSA-N 1 1 374.485 1.917 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)on1 ZINC000071415764 522114519 /nfs/dbraw/zinc/11/45/19/522114519.db2.gz PLBZWSFTHAOBGK-INIZCTEOSA-N 1 1 374.485 1.922 50 0 FDAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1OC ZINC000071589733 522116273 /nfs/dbraw/zinc/11/62/73/522116273.db2.gz DOUVJKXZDFUKAQ-ZDUSSCGKSA-N 1 1 373.409 1.175 50 0 FDAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1OC ZINC000071589733 522116287 /nfs/dbraw/zinc/11/62/87/522116287.db2.gz DOUVJKXZDFUKAQ-ZDUSSCGKSA-N 1 1 373.409 1.175 50 0 FDAAMO CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071575311 522118269 /nfs/dbraw/zinc/11/82/69/522118269.db2.gz GFKOPTWIIMXOMU-INIZCTEOSA-N 1 1 358.486 1.811 50 0 FDAAMO Cc1nn(C)cc1NC(=O)C[N@@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071745886 522119114 /nfs/dbraw/zinc/11/91/14/522119114.db2.gz BOGONPYCNKQGGI-KRWDZBQOSA-N 1 1 361.490 1.636 50 0 FDAAMO Cc1nn(C)cc1NC(=O)C[N@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071745886 522119127 /nfs/dbraw/zinc/11/91/27/522119127.db2.gz BOGONPYCNKQGGI-KRWDZBQOSA-N 1 1 361.490 1.636 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000071747034 522125263 /nfs/dbraw/zinc/12/52/63/522125263.db2.gz YEFUSZAGOMLHIT-INIZCTEOSA-N 1 1 374.485 1.161 50 0 FDAAMO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNc1cc[nH+]c(N)n1 ZINC000071755012 522126529 /nfs/dbraw/zinc/12/65/29/522126529.db2.gz SOUIMIGENQPFID-UHFFFAOYSA-N 1 1 354.414 1.973 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)C1 ZINC000071762275 522130737 /nfs/dbraw/zinc/13/07/37/522130737.db2.gz OCHIZKOBURLQEG-AWEZNQCLSA-N 1 1 355.504 1.730 50 0 FDAAMO CCCNC(=O)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000072049405 522148193 /nfs/dbraw/zinc/14/81/93/522148193.db2.gz LLHPVQCENOSFLM-UHFFFAOYSA-N 1 1 350.488 1.883 50 0 FDAAMO CC[C@@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CC[N@H+]1C(C)C ZINC000072131843 522160779 /nfs/dbraw/zinc/16/07/79/522160779.db2.gz WNZUDAUYAFQESD-OAHLLOKOSA-N 1 1 357.520 1.976 50 0 FDAAMO COCC[N@H+]1CCC[C@H](C(=O)N2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000072149726 522176032 /nfs/dbraw/zinc/17/60/32/522176032.db2.gz XACGADMNCTUZQY-INIZCTEOSA-N 1 1 371.481 1.857 50 0 FDAAMO Cc1cc(C)c(C[N@H+]2CCN[C@H](C(=O)N3CCCC3)C2)c(-n2cccn2)c1 ZINC000072149797 522176558 /nfs/dbraw/zinc/17/65/58/522176558.db2.gz BUYBTCPCKGGICG-IBGZPJMESA-N 1 1 367.497 1.885 50 0 FDAAMO Cc1cc(C)c(CN2CC[NH2+][C@H](C(=O)N3CCCC3)C2)c(-n2cccn2)c1 ZINC000072149797 522176564 /nfs/dbraw/zinc/17/65/64/522176564.db2.gz BUYBTCPCKGGICG-IBGZPJMESA-N 1 1 367.497 1.885 50 0 FDAAMO NC(=O)CCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156065 522183009 /nfs/dbraw/zinc/18/30/09/522183009.db2.gz HKPAWFPXOSEPJG-UPRAQXHNSA-N 1 1 363.408 1.619 50 0 FDAAMO COc1ccccc1COC[C@H](O)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000057941825 522189728 /nfs/dbraw/zinc/18/97/28/522189728.db2.gz ANUUSDAMJBBMOF-RTBURBONSA-N 1 1 364.486 1.369 50 0 FDAAMO CC[N@@H+](CCCO)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F ZINC000072304995 522210741 /nfs/dbraw/zinc/21/07/41/522210741.db2.gz KEGALJBYQYJONC-CQSZACIVSA-N 1 1 373.375 1.997 50 0 FDAAMO C[C@]1(c2ccco2)NC(=O)N(C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1=O ZINC000058185383 522218717 /nfs/dbraw/zinc/21/87/17/522218717.db2.gz AONBUQJSBSLUFW-OXQOHEQNSA-N 1 1 369.421 1.466 50 0 FDAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)C[C@H](C)O1 ZINC000058229436 522229100 /nfs/dbraw/zinc/22/91/00/522229100.db2.gz OQOCMGYSRWNGOM-RCJHGTSTSA-N 1 1 360.454 1.927 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)C[C@H](C)O1 ZINC000058229436 522229109 /nfs/dbraw/zinc/22/91/09/522229109.db2.gz OQOCMGYSRWNGOM-RCJHGTSTSA-N 1 1 360.454 1.927 50 0 FDAAMO Cc1cn(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c(=O)[nH]c1=O ZINC000072421659 522254636 /nfs/dbraw/zinc/25/46/36/522254636.db2.gz LJPLXOIEWHHTOD-MRXNPFEDSA-N 1 1 362.474 1.006 50 0 FDAAMO O=C([C@H]1[NH2+]CCc2nc[nH]c21)N1CCN(c2nsc3ccccc32)CC1 ZINC000072435868 522273832 /nfs/dbraw/zinc/27/38/32/522273832.db2.gz ZUHJFZZUFNEQOZ-INIZCTEOSA-N 1 1 368.466 1.555 50 0 FDAAMO Cc1cnn(CCNc2ncnc3c2CC[N@@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000072475349 522297256 /nfs/dbraw/zinc/29/72/56/522297256.db2.gz XFQNAWRLOGNKEB-INIZCTEOSA-N 1 1 356.474 1.531 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N[C@@H]1CCCCN(C(=O)c2cccnc2)C1 ZINC000082166504 522580418 /nfs/dbraw/zinc/58/04/18/522580418.db2.gz HSAOIRSCCUSWRA-MRXNPFEDSA-N 1 1 355.442 1.652 50 0 FDAAMO COc1ccc(C)cc1NC(=O)CNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063884780 522670630 /nfs/dbraw/zinc/67/06/30/522670630.db2.gz ZXXNLKBYYYDROL-UYAOXDASSA-N 1 1 361.486 1.911 50 0 FDAAMO CCn1c(C)nnc1SCCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063881811 522671253 /nfs/dbraw/zinc/67/12/53/522671253.db2.gz PVOVLQNXISHUKH-NVXWUHKLSA-N 1 1 353.536 1.668 50 0 FDAAMO CCn1c(C)nnc1SCCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063881811 522671265 /nfs/dbraw/zinc/67/12/65/522671265.db2.gz PVOVLQNXISHUKH-NVXWUHKLSA-N 1 1 353.536 1.668 50 0 FDAAMO CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065374304 522809533 /nfs/dbraw/zinc/80/95/33/522809533.db2.gz FNSLKFQDROJHIA-AWEZNQCLSA-N 1 1 361.490 1.521 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)CC1 ZINC000065375514 522812014 /nfs/dbraw/zinc/81/20/14/522812014.db2.gz RSIIVVQHEUXYAR-UHFFFAOYSA-N 1 1 361.490 1.366 50 0 FDAAMO OCc1nc2ccccc2n1-c1ccc([C@H](O)C[NH+]2CCOCC2)cc1 ZINC000065410512 522814613 /nfs/dbraw/zinc/81/46/13/522814613.db2.gz FRGURKCHOLOEOH-LJQANCHMSA-N 1 1 353.422 1.883 50 0 FDAAMO Cc1sc(NC(=O)C(C)C)c(C(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1C ZINC000065421869 522818562 /nfs/dbraw/zinc/81/85/62/522818562.db2.gz DDAOTYNZYPKHGK-OLZOCXBDSA-N 1 1 353.488 1.754 50 0 FDAAMO Cc1nn2cc(CNC(=O)c3cc4n(n3)CCC[N@@H+](C(C)C)C4)nc2s1 ZINC000065531193 522835011 /nfs/dbraw/zinc/83/50/11/522835011.db2.gz NWPHFHMARSOGRI-UHFFFAOYSA-N 1 1 373.486 1.840 50 0 FDAAMO Cc1nn2cc(CNC(=O)c3cc4n(n3)CCC[N@H+](C(C)C)C4)nc2s1 ZINC000065531193 522835016 /nfs/dbraw/zinc/83/50/16/522835016.db2.gz NWPHFHMARSOGRI-UHFFFAOYSA-N 1 1 373.486 1.840 50 0 FDAAMO Cc1ccc([C@H](C(=O)N2CCC(O)(Cn3ccnc3)CC2)[NH+](C)C)cc1 ZINC000065532700 522836648 /nfs/dbraw/zinc/83/66/48/522836648.db2.gz WCOSSCITFUTKIT-GOSISDBHSA-N 1 1 356.470 1.848 50 0 FDAAMO Cc1cc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]([NH+]3CCCC3)C2)n[nH]1 ZINC000075403492 522914483 /nfs/dbraw/zinc/91/44/83/522914483.db2.gz IPTNCOGUXIYMHL-UYAOXDASSA-N 1 1 354.454 1.916 50 0 FDAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1ccc(-n2cnnn2)cc1O ZINC000216510797 523277241 /nfs/dbraw/zinc/27/72/41/523277241.db2.gz ONRBBQNRWCESPW-UHFFFAOYSA-N 1 1 364.409 1.586 50 0 FDAAMO COCCCN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082109462 523294863 /nfs/dbraw/zinc/29/48/63/523294863.db2.gz BKVJKLFNJXRNOQ-KRWDZBQOSA-N 1 1 353.507 1.058 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cnc(C(C)(C)C)[nH]c2=O)C1 ZINC000091445142 523304497 /nfs/dbraw/zinc/30/44/97/523304497.db2.gz BJPOTMISLLPJHL-CYBMUJFWSA-N 1 1 350.463 1.156 50 0 FDAAMO CN1CC2(CCN(C(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)CC2)OC1=O ZINC000077380108 523312924 /nfs/dbraw/zinc/31/29/24/523312924.db2.gz VOZHGPGSEFSZGI-KRWDZBQOSA-N 1 1 357.454 1.919 50 0 FDAAMO COc1ccc(C[N@@H+]2C[C@@H](C(C)C)[C@H](NC(C)=O)C2)cc1Cn1cncn1 ZINC000077380516 523314500 /nfs/dbraw/zinc/31/45/00/523314500.db2.gz GLLSBJSRRBTSDI-RBUKOAKNSA-N 1 1 371.485 1.928 50 0 FDAAMO CS(=O)(=O)CCC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000077406709 523327615 /nfs/dbraw/zinc/32/76/15/523327615.db2.gz HLRBTVBCLZBLNK-UHFFFAOYSA-N 1 1 368.503 1.082 50 0 FDAAMO COC[C@H](C)n1c(CCCC(=O)N2CC[NH+](C)CC2)nc2cccnc21 ZINC000077420514 523329635 /nfs/dbraw/zinc/32/96/35/523329635.db2.gz SWIBOAPFAKXRRF-HNNXBMFYSA-N 1 1 359.474 1.735 50 0 FDAAMO COc1cccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1OC ZINC000077489767 523360627 /nfs/dbraw/zinc/36/06/27/523360627.db2.gz ZXRTTZFHJPKEDQ-NVXWUHKLSA-N 1 1 371.437 1.464 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1OC ZINC000077489767 523360634 /nfs/dbraw/zinc/36/06/34/523360634.db2.gz ZXRTTZFHJPKEDQ-NVXWUHKLSA-N 1 1 371.437 1.464 50 0 FDAAMO CCN(CC)C(=O)c1cn(C2CCN(c3nc(N)c(C)c[nH+]3)CC2)nn1 ZINC000067560774 523496321 /nfs/dbraw/zinc/49/63/21/523496321.db2.gz ORMHZHOODAGZGU-UHFFFAOYSA-N 1 1 358.450 1.282 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)CC[NH2+]1 ZINC000067740899 523566679 /nfs/dbraw/zinc/56/66/79/523566679.db2.gz BIZUEQDGMJERSR-GFCCVEGCSA-N 1 1 358.398 1.541 50 0 FDAAMO C[C@H](CCC(=O)NCc1cccnc1N1CCN(C)CC1)[NH+]1CCCC1 ZINC000067772227 523577230 /nfs/dbraw/zinc/57/72/30/523577230.db2.gz KGVMXHFAEZLKEO-QGZVFWFLSA-N 1 1 359.518 1.714 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000067834130 523600775 /nfs/dbraw/zinc/60/07/75/523600775.db2.gz ZOYOOCGWNOORKI-INIZCTEOSA-N 1 1 371.489 1.751 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@@H+](Cc2cnc(N3CCCCC3)nc2)C1 ZINC000067834130 523600786 /nfs/dbraw/zinc/60/07/86/523600786.db2.gz ZOYOOCGWNOORKI-INIZCTEOSA-N 1 1 371.489 1.751 50 0 FDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000067856387 523611186 /nfs/dbraw/zinc/61/11/86/523611186.db2.gz GXGHCRUHEUNCKY-QGZVFWFLSA-N 1 1 354.472 1.810 50 0 FDAAMO CCC(=O)N1CCCN(CC[C@H](C)[N@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000078971068 523680468 /nfs/dbraw/zinc/68/04/68/523680468.db2.gz DIOITQDSKGIMQA-SFHVURJKSA-N 1 1 366.550 1.654 50 0 FDAAMO CCC(=O)N1CCCN([C@@H](C)CC[N@@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000078971068 523680475 /nfs/dbraw/zinc/68/04/75/523680475.db2.gz DIOITQDSKGIMQA-SFHVURJKSA-N 1 1 366.550 1.654 50 0 FDAAMO CCC(=O)N1CCCN([C@@H](C)CC[N@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000078971068 523680479 /nfs/dbraw/zinc/68/04/79/523680479.db2.gz DIOITQDSKGIMQA-SFHVURJKSA-N 1 1 366.550 1.654 50 0 FDAAMO CCC(=O)N1CCCN(CC[C@@H](C)[N@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000078971066 523681688 /nfs/dbraw/zinc/68/16/88/523681688.db2.gz DIOITQDSKGIMQA-GOSISDBHSA-N 1 1 366.550 1.654 50 0 FDAAMO CCC(=O)N1CCCN([C@H](C)CC[N@@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000078971066 523681691 /nfs/dbraw/zinc/68/16/91/523681691.db2.gz DIOITQDSKGIMQA-GOSISDBHSA-N 1 1 366.550 1.654 50 0 FDAAMO CCC(=O)N1CCCN([C@H](C)CC[N@H+]2CCCN(C(=O)CC)CC2)CC1 ZINC000078971066 523681698 /nfs/dbraw/zinc/68/16/98/523681698.db2.gz DIOITQDSKGIMQA-GOSISDBHSA-N 1 1 366.550 1.654 50 0 FDAAMO C[N@H+]1CCN2CCN(Cc3cc(=O)n4c5c(cccc35)CCC4)C[C@H]2C1 ZINC000244734986 523932048 /nfs/dbraw/zinc/93/20/48/523932048.db2.gz NQZQPVOBWRCEAT-GOSISDBHSA-N 1 1 352.482 1.379 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C1 ZINC000082115694 524210313 /nfs/dbraw/zinc/21/03/13/524210313.db2.gz PWOUFLQDTKPURP-KBXCAEBGSA-N 1 1 362.499 1.944 50 0 FDAAMO Cc1nc(NCc2cc3n(n2)CCCN(S(C)(=O)=O)C3)c(C)c(C)[nH+]1 ZINC000082146359 524216884 /nfs/dbraw/zinc/21/68/84/524216884.db2.gz ZNNVISQRZBZWSL-UHFFFAOYSA-N 1 1 364.475 1.376 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ncccc2F)CC3)C1 ZINC000091452693 524708829 /nfs/dbraw/zinc/70/88/29/524708829.db2.gz VYGSIVYCZDMFIQ-OAHLLOKOSA-N 1 1 374.460 1.770 50 0 FDAAMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)C[C@H](C)O1 ZINC000091486710 524714897 /nfs/dbraw/zinc/71/48/97/524714897.db2.gz RWIQDIDWVBKAQW-JEWRLFTDSA-N 1 1 354.491 1.122 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)C2(C(N)=O)CC2)C3)cc1 ZINC000091486531 524715744 /nfs/dbraw/zinc/71/57/44/524715744.db2.gz RNYCGFYJXYDEMS-JKSUJKDBSA-N 1 1 357.454 1.384 50 0 FDAAMO CCc1c(C)nc(C)nc1N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091604598 524741730 /nfs/dbraw/zinc/74/17/30/524741730.db2.gz KMTAAVDULMAVMO-LTCOOKNTSA-N 1 1 362.518 1.810 50 0 FDAAMO Cc1ncncc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091637033 524749911 /nfs/dbraw/zinc/74/99/11/524749911.db2.gz YPDJKDDZMQNEKR-MRXNPFEDSA-N 1 1 371.485 1.334 50 0 FDAAMO O=C(Cn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091650387 524753424 /nfs/dbraw/zinc/75/34/24/524753424.db2.gz JCPOTUBZJRDSLE-ZWKOTPCHSA-N 1 1 354.458 1.229 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000091650590 524753680 /nfs/dbraw/zinc/75/36/80/524753680.db2.gz CBFXAFCMOUITLI-IAGOWNOFSA-N 1 1 355.486 1.312 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000091650590 524753691 /nfs/dbraw/zinc/75/36/91/524753691.db2.gz CBFXAFCMOUITLI-IAGOWNOFSA-N 1 1 355.486 1.312 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2CO)CC1 ZINC000091650590 524753701 /nfs/dbraw/zinc/75/37/01/524753701.db2.gz CBFXAFCMOUITLI-IAGOWNOFSA-N 1 1 355.486 1.312 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](Cc4nccn4C)C3)CCC2=O)cn1 ZINC000091663182 524757263 /nfs/dbraw/zinc/75/72/63/524757263.db2.gz JHFTYEAXCZUQJJ-FQEVSTJZSA-N 1 1 368.485 1.923 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4nccn4C)C3)CCC2=O)cn1 ZINC000091663182 524757272 /nfs/dbraw/zinc/75/72/72/524757272.db2.gz JHFTYEAXCZUQJJ-FQEVSTJZSA-N 1 1 368.485 1.923 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC)C[C@@H]1CO ZINC000091725102 524766365 /nfs/dbraw/zinc/76/63/65/524766365.db2.gz NPEMTRUJITUODN-ZIAGYGMSSA-N 1 1 370.877 1.607 50 0 FDAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)cc1 ZINC000091780179 524780632 /nfs/dbraw/zinc/78/06/32/524780632.db2.gz AWASUODORAFQAR-HNNXBMFYSA-N 1 1 355.398 1.079 50 0 FDAAMO CC(C)N1CCC[C@@H]([NH+]2CCN(c3ccc4nccnc4n3)CC2)C1=O ZINC000095999444 525115802 /nfs/dbraw/zinc/11/58/02/525115802.db2.gz ADHZELYCJXHMJA-MRXNPFEDSA-N 1 1 354.458 1.546 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C2(CCCCC2)C1 ZINC000176681606 525165748 /nfs/dbraw/zinc/16/57/48/525165748.db2.gz JCOVTGCTHRUXJN-UHFFFAOYSA-N 1 1 369.487 1.419 50 0 FDAAMO CCn1cnc2c(c1=O)CC[N@H+](C[C@H](O)COc1cc(C)cc(C)c1)C2 ZINC000170619492 525646459 /nfs/dbraw/zinc/64/64/59/525646459.db2.gz ZBXOFRDXHBICAC-INIZCTEOSA-N 1 1 357.454 1.678 50 0 FDAAMO CCn1cnc2c(c1=O)CC[N@@H+](C[C@H](O)COc1cc(C)cc(C)c1)C2 ZINC000170619492 525646466 /nfs/dbraw/zinc/64/64/66/525646466.db2.gz ZBXOFRDXHBICAC-INIZCTEOSA-N 1 1 357.454 1.678 50 0 FDAAMO COc1cccc(CN(CCC[NH+]2CCOCC2)C(=O)N(C)C)c1OC ZINC000020573774 525922246 /nfs/dbraw/zinc/92/22/46/525922246.db2.gz MXMGLRWKNSKSMQ-UHFFFAOYSA-N 1 1 365.474 1.910 50 0 FDAAMO Cn1c2ccccc2nc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000108015752 525931841 /nfs/dbraw/zinc/93/18/41/525931841.db2.gz UIWUKHDLKAFHJM-HXUWFJFHSA-N 1 1 355.486 1.702 50 0 FDAAMO O=C(CCn1cnnc1)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082087937 526688338 /nfs/dbraw/zinc/68/83/38/526688338.db2.gz UPMIPUQPWUPYAH-UHFFFAOYSA-N 1 1 357.462 1.329 50 0 FDAAMO O=C(c1cccc(Br)c1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436625 526750515 /nfs/dbraw/zinc/75/05/15/526750515.db2.gz VGUFNVQKOUJODK-HNNXBMFYSA-N 1 1 353.260 1.978 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2ccc3c(c2)[nH]c2c3CCCC2)C1 ZINC000216356565 527003144 /nfs/dbraw/zinc/00/31/44/527003144.db2.gz CWHJYBYQJUGHGH-HNNXBMFYSA-N 1 1 368.481 1.974 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000082087567 527418847 /nfs/dbraw/zinc/41/88/47/527418847.db2.gz VNFUXCCIZREXPH-MRXNPFEDSA-N 1 1 357.458 1.535 50 0 FDAAMO OCc1cn(C[C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)nn1 ZINC000020855274 527639951 /nfs/dbraw/zinc/63/99/51/527639951.db2.gz IQMFUDUFIIFPFI-QGZVFWFLSA-N 1 1 352.442 1.868 50 0 FDAAMO O=C(NCCCO)[C@H]1CCC[N@@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091493709 527679675 /nfs/dbraw/zinc/67/96/75/527679675.db2.gz LWKWVRKDPKLXHW-ZDUSSCGKSA-N 1 1 361.417 1.378 50 0 FDAAMO CCN1CC[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@H]23)CC1 ZINC000252694936 537251419 /nfs/dbraw/zinc/25/14/19/537251419.db2.gz RZJXEISZQFKAGA-JTCHRBOTSA-N 1 1 362.514 1.909 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2CO)cc1F ZINC000257189732 537252669 /nfs/dbraw/zinc/25/26/69/537252669.db2.gz OAGSSJHLEXPMDC-XJKSGUPXSA-N 1 1 352.406 1.036 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1CO)c1ccncc1 ZINC000257190905 537252943 /nfs/dbraw/zinc/25/29/43/537252943.db2.gz PDYZJNNDPPOICX-ZWKOTPCHSA-N 1 1 353.422 1.239 50 0 FDAAMO COc1cc2c(cc1C[N@@H+]1CCCN(c3ncccn3)CC1)OCCO2 ZINC000216192139 537445735 /nfs/dbraw/zinc/44/57/35/537445735.db2.gz NBLONSOVPPBBAJ-UHFFFAOYSA-N 1 1 356.426 1.969 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1CCCN(c3ncccn3)CC1)OCCO2 ZINC000216192139 537445743 /nfs/dbraw/zinc/44/57/43/537445743.db2.gz NBLONSOVPPBBAJ-UHFFFAOYSA-N 1 1 356.426 1.969 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(Cc3ccccc3OC(F)(F)F)C[C@@H]2O)CC1 ZINC000216082524 537447079 /nfs/dbraw/zinc/44/70/79/537447079.db2.gz SWXRXHVGKOFCTN-GJZGRUSLSA-N 1 1 359.392 1.378 50 0 FDAAMO O=C(Cc1ccc(O)c(Cl)c1)N1CC[N@@H+](CC2CC2)[C@@H](CCO)C1 ZINC000219489507 537474214 /nfs/dbraw/zinc/47/42/14/537474214.db2.gz ZQJLNOIWPBYCLK-HNNXBMFYSA-N 1 1 352.862 1.893 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000220303759 537485201 /nfs/dbraw/zinc/48/52/01/537485201.db2.gz OZHSTSKOLRAIDF-KRWDZBQOSA-N 1 1 371.441 1.294 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cc(-c2ccncc2)no1 ZINC000220303759 537485219 /nfs/dbraw/zinc/48/52/19/537485219.db2.gz OZHSTSKOLRAIDF-KRWDZBQOSA-N 1 1 371.441 1.294 50 0 FDAAMO O=C(NCc1ccc(-n2cncn2)cc1)C1([NH+]2CCOCC2)CCCCC1 ZINC000220274607 537485717 /nfs/dbraw/zinc/48/57/17/537485717.db2.gz FDBWDICLSGEIIP-UHFFFAOYSA-N 1 1 369.469 1.919 50 0 FDAAMO C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)S(=O)(=O)c1ccc(F)cc1 ZINC000229605563 537574843 /nfs/dbraw/zinc/57/48/43/537574843.db2.gz ZYMMAPDCLMIDNN-KCXAZCMYSA-N 1 1 354.447 1.731 50 0 FDAAMO O=C(Cn1cnc2ccsc2c1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000230202932 537578493 /nfs/dbraw/zinc/57/84/93/537578493.db2.gz SOXYTSYVOZAGBS-HIFRSBDPSA-N 1 1 360.483 1.839 50 0 FDAAMO CCCCS(=O)(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230180065 537579729 /nfs/dbraw/zinc/57/97/29/537579729.db2.gz CMVWCCOYDZHWJI-GOSISDBHSA-N 1 1 371.547 1.525 50 0 FDAAMO CCCCS(=O)(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230180065 537579736 /nfs/dbraw/zinc/57/97/36/537579736.db2.gz CMVWCCOYDZHWJI-GOSISDBHSA-N 1 1 371.547 1.525 50 0 FDAAMO C[C@@H](Oc1ncccc1C(=O)NCC[N@@H+]1CCCOCC1)C(F)(F)F ZINC000241231015 537646613 /nfs/dbraw/zinc/64/66/13/537646613.db2.gz KRGLUIKKQKFFNQ-GFCCVEGCSA-N 1 1 361.364 1.863 50 0 FDAAMO C[C@@H](Oc1ncccc1C(=O)NCC[N@H+]1CCCOCC1)C(F)(F)F ZINC000241231015 537646616 /nfs/dbraw/zinc/64/66/16/537646616.db2.gz KRGLUIKKQKFFNQ-GFCCVEGCSA-N 1 1 361.364 1.863 50 0 FDAAMO Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000244673800 537650102 /nfs/dbraw/zinc/65/01/02/537650102.db2.gz HVWLBPNCOMVLQZ-UHFFFAOYSA-N 1 1 356.470 1.721 50 0 FDAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000244796160 537653365 /nfs/dbraw/zinc/65/33/65/537653365.db2.gz RUDPEQULQDHMEK-INIZCTEOSA-N 1 1 357.458 1.112 50 0 FDAAMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000244796160 537653369 /nfs/dbraw/zinc/65/33/69/537653369.db2.gz RUDPEQULQDHMEK-INIZCTEOSA-N 1 1 357.458 1.112 50 0 FDAAMO O=S(=O)(N1CCCC1)N1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000244852737 537654264 /nfs/dbraw/zinc/65/42/64/537654264.db2.gz UXRSRHAOMHQTOT-UHFFFAOYSA-N 1 1 353.488 1.414 50 0 FDAAMO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCN1CCC[C@@H](CO)C1 ZINC000426651386 538118787 /nfs/dbraw/zinc/11/87/87/538118787.db2.gz UFBQTGHCOAHMEC-CYBMUJFWSA-N 1 1 355.866 1.112 50 0 FDAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426739956 538126918 /nfs/dbraw/zinc/12/69/18/538126918.db2.gz WLAQVWCZEUABCQ-KRWDZBQOSA-N 1 1 367.497 1.954 50 0 FDAAMO CCC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc4nccn4n3)CC2)C1 ZINC000426739794 538127328 /nfs/dbraw/zinc/12/73/28/538127328.db2.gz QLRVQONEPRTRRM-MRXNPFEDSA-N 1 1 371.489 1.435 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@]1(Cc2ccccc2)CCCCC(=O)N1 ZINC000575314098 550451706 /nfs/dbraw/zinc/45/17/06/550451706.db2.gz YKRNPACLMSKMNH-OAQYLSRUSA-N 1 1 373.497 1.497 50 0 FDAAMO COCCn1c(C)c[nH+]c1CCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000575317609 550452054 /nfs/dbraw/zinc/45/20/54/550452054.db2.gz PDJHKYGGFVKQOQ-UHFFFAOYSA-N 1 1 360.414 1.973 50 0 FDAAMO C[N@@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C[C@H]21 ZINC000575540930 550465234 /nfs/dbraw/zinc/46/52/34/550465234.db2.gz HKRQUOWCONVPLK-SJLPKXTDSA-N 1 1 350.484 1.517 50 0 FDAAMO C[N@H+]1CCOC[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)C[C@H]21 ZINC000575540930 550465236 /nfs/dbraw/zinc/46/52/36/550465236.db2.gz HKRQUOWCONVPLK-SJLPKXTDSA-N 1 1 350.484 1.517 50 0 FDAAMO COCCn1c(C)c[nH+]c1CCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000575554811 550465812 /nfs/dbraw/zinc/46/58/12/550465812.db2.gz QLICWRCNFCHJJK-UHFFFAOYSA-N 1 1 363.483 1.848 50 0 FDAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000215042368 568045150 /nfs/dbraw/zinc/04/51/50/568045150.db2.gz SMUFCYLPZNUERF-GOSISDBHSA-N 1 1 362.437 1.882 50 0 FDAAMO COCC[N@H+]1CCC[C@@]2(CCN(c3ccc(CS(C)(=O)=O)cn3)C2)C1 ZINC000426490440 570608211 /nfs/dbraw/zinc/60/82/11/570608211.db2.gz HLGZSSSCVYMINE-GOSISDBHSA-N 1 1 367.515 1.565 50 0 FDAAMO CCNc1nc(N2CCC(CC(=O)N3CCN(C(C)=O)CC3)CC2)cc[nH+]1 ZINC000065282019 570865672 /nfs/dbraw/zinc/86/56/72/570865672.db2.gz PXZDOHKCIVFORQ-UHFFFAOYSA-N 1 1 374.489 1.206 50 0 FDAAMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)N(C)c1nccn2cnnc12 ZINC000107533391 570897086 /nfs/dbraw/zinc/89/70/86/570897086.db2.gz LYXKPEYCWSHLCJ-GJZGRUSLSA-N 1 1 359.478 1.187 50 0 FDAAMO CCC[NH+]1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000263617221 571046648 /nfs/dbraw/zinc/04/66/48/571046648.db2.gz MTPWVSZGMBLWJY-QGZVFWFLSA-N 1 1 373.432 1.857 50 0 FDAAMO COCc1nnc(NC(=O)CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)s1 ZINC000243892556 571112361 /nfs/dbraw/zinc/11/23/61/571112361.db2.gz AIRNBOPUQRXDPX-UONOGXRCSA-N 1 1 365.503 1.429 50 0 FDAAMO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)cc(OC)c1OC ZINC000244787544 571116116 /nfs/dbraw/zinc/11/61/16/571116116.db2.gz PZDILJCTIDJRHD-BBRMVZONSA-N 1 1 352.431 1.550 50 0 FDAAMO OCCNc1nc(N2CCC(c3ccncc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426409008 571132877 /nfs/dbraw/zinc/13/28/77/571132877.db2.gz QDDMDTGYSXNTKG-QGZVFWFLSA-N 1 1 369.469 2.164 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CCn2ccc(=O)[nH]c2=O)C1 ZINC000253536675 571137808 /nfs/dbraw/zinc/13/78/08/571137808.db2.gz KHQILGYEPAXAOB-INIZCTEOSA-N 1 1 370.453 1.286 50 0 FDAAMO COc1ccc(CNC(=O)CC[N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299761165 571193464 /nfs/dbraw/zinc/19/34/64/571193464.db2.gz VPIZSEVJEXCEKR-ZWKOTPCHSA-N 1 1 371.441 1.139 50 0 FDAAMO O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000299763569 571194058 /nfs/dbraw/zinc/19/40/58/571194058.db2.gz OTUQHYQXGDVTMC-QGZVFWFLSA-N 1 1 362.495 1.123 50 0 FDAAMO O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000299763569 571194059 /nfs/dbraw/zinc/19/40/59/571194059.db2.gz OTUQHYQXGDVTMC-QGZVFWFLSA-N 1 1 362.495 1.123 50 0 FDAAMO CC(C)n1cnnc1CN(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)o1 ZINC000299770374 571195711 /nfs/dbraw/zinc/19/57/11/571195711.db2.gz QNXIKXLBEDYKFD-UHFFFAOYSA-N 1 1 360.462 1.472 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNC(=O)c2cnc(N)nc2-c2ccccc2)C1 ZINC000299771409 571195994 /nfs/dbraw/zinc/19/59/94/571195994.db2.gz WKYVHOLVNIBGJG-OAHLLOKOSA-N 1 1 369.469 1.814 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)c2cnc(N)nc2-c2ccccc2)C1 ZINC000299771407 571196038 /nfs/dbraw/zinc/19/60/38/571196038.db2.gz WKYVHOLVNIBGJG-HNNXBMFYSA-N 1 1 369.469 1.814 50 0 FDAAMO CCCNc1ncc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)cn1 ZINC000299793156 571201403 /nfs/dbraw/zinc/20/14/03/571201403.db2.gz GLKUQOSTZBWDFP-ZMMAXQRCSA-N 1 1 362.474 1.287 50 0 FDAAMO Cc1noc(C)c1CN(C)c1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299793995 571201681 /nfs/dbraw/zinc/20/16/81/571201681.db2.gz IWIJTAJYUROWMR-CYBMUJFWSA-N 1 1 359.430 1.403 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCSc1ccc(Cl)cc1 ZINC000299798314 571202588 /nfs/dbraw/zinc/20/25/88/571202588.db2.gz RKRLQLHDWOVTGN-AWEZNQCLSA-N 1 1 355.891 1.759 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCSc1ccc(Cl)cc1 ZINC000299798314 571202592 /nfs/dbraw/zinc/20/25/92/571202592.db2.gz RKRLQLHDWOVTGN-AWEZNQCLSA-N 1 1 355.891 1.759 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)c2ccn3nnnc3c2)C1 ZINC000426371007 571216421 /nfs/dbraw/zinc/21/64/21/571216421.db2.gz MXOFTVDBRAPKHE-HNNXBMFYSA-N 1 1 350.426 1.685 50 0 FDAAMO Cc1ccsc1CN(CCO)C(=O)NCCC[N@H+]1CCC[C@@H](O)C1 ZINC000426414675 571222416 /nfs/dbraw/zinc/22/24/16/571222416.db2.gz QWPPQYQIUXPYQZ-OAHLLOKOSA-N 1 1 355.504 1.407 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000426599571 571233153 /nfs/dbraw/zinc/23/31/53/571233153.db2.gz LFHOEHSBBQZVEU-QGZVFWFLSA-N 1 1 371.485 1.733 50 0 FDAAMO CCOC(=O)c1cnc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)n1C ZINC000253424163 571312981 /nfs/dbraw/zinc/31/29/81/571312981.db2.gz BFYQZFSGYHBMDE-CYBMUJFWSA-N 1 1 367.450 1.075 50 0 FDAAMO COc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670438209 571347831 /nfs/dbraw/zinc/34/78/31/571347831.db2.gz FGGFHGZRQFSJJF-CYBMUJFWSA-N 1 1 362.879 1.474 50 0 FDAAMO COc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000670438209 571347832 /nfs/dbraw/zinc/34/78/32/571347832.db2.gz FGGFHGZRQFSJJF-CYBMUJFWSA-N 1 1 362.879 1.474 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c(Cl)cc1F ZINC000670452323 571352645 /nfs/dbraw/zinc/35/26/45/571352645.db2.gz XIPHERCRYSVNNG-GFCCVEGCSA-N 1 1 364.870 1.770 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c(Cl)cc1F ZINC000670452323 571352646 /nfs/dbraw/zinc/35/26/46/571352646.db2.gz XIPHERCRYSVNNG-GFCCVEGCSA-N 1 1 364.870 1.770 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccsc1)CC2)[C@@H]1CCOC1 ZINC000020135681 670668760 /nfs/dbraw/zinc/66/87/60/670668760.db2.gz IQTALGXXULHUKX-CQSZACIVSA-N 1 1 361.471 1.051 50 0 FDAAMO CCc1oc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[N@@H+](C)C2)cc1C[NH+](CC)CC ZINC000252479846 672593533 /nfs/dbraw/zinc/59/35/33/672593533.db2.gz BNTVGAAXNIDDDW-KBPBESRZSA-N 1 1 351.447 1.571 50 0 FDAAMO CNC(=O)c1cccnc1N1CC[N@@H+](Cc2cccs2)[C@@H](CCO)C1 ZINC000257371973 672631730 /nfs/dbraw/zinc/63/17/30/672631730.db2.gz XNISAZPLNHLHSB-AWEZNQCLSA-N 1 1 360.483 1.576 50 0 FDAAMO O=c1ccc(-n2cncn2)nn1CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000585500675 783446311 /nfs/dbraw/zinc/44/63/11/783446311.db2.gz MQVCRRXXLHPORI-UHFFFAOYSA-N 1 1 371.832 1.789 50 0 FDAAMO C[N@H+](CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)C[C@@H]1CCOC1 ZINC000178367083 794585771 /nfs/dbraw/zinc/58/57/71/794585771.db2.gz PPHDAWWIMUGMEY-SFHVURJKSA-N 1 1 373.497 1.234 50 0 FDAAMO Cc1noc(C)c1C(=O)N1CCC2(C[C@@H](C(=O)N3CCCC3)[N@@H+](C)C2)CC1 ZINC000675009318 795200297 /nfs/dbraw/zinc/20/02/97/795200297.db2.gz CMWLMAGDMQKEBX-INIZCTEOSA-N 1 1 374.485 1.840 50 0 FDAAMO COc1cccc2c1OCC(CN1CC[N@@H+](C)[C@@]3(C1)CCNC(=O)CC3)=C2 ZINC000107405834 808368071 /nfs/dbraw/zinc/36/80/71/808368071.db2.gz FAHLWNAQAHYMFX-OAQYLSRUSA-N 1 1 371.481 1.757 50 0 FDAAMO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cc3c(cc1OC)CCC3)N[C@]2(CO)CCO ZINC000199315111 827011302 /nfs/dbraw/zinc/01/13/02/827011302.db2.gz HCVLSIIDCWXPHW-JYRKZWEQSA-N 1 1 360.498 1.510 50 0 FDAAMO CCN1C[C@H]2[C@@H](C1)[C@@H](c1cc3c(cc1OC)CCC3)[NH2+][C@]2(CO)CCO ZINC000199315111 827011309 /nfs/dbraw/zinc/01/13/09/827011309.db2.gz HCVLSIIDCWXPHW-JYRKZWEQSA-N 1 1 360.498 1.510 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccsc1)CC2)c1ccncc1 ZINC000012021736 873256041 /nfs/dbraw/zinc/25/60/41/873256041.db2.gz XVENUZUTERXTLD-UHFFFAOYSA-N 1 1 368.466 1.723 50 0 FDAAMO C[N@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000011662811 892157979 /nfs/dbraw/zinc/15/79/79/892157979.db2.gz DRPMQVPLFNEAAC-QGZVFWFLSA-N 1 1 361.461 1.771 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1N ZINC000184137819 897281351 /nfs/dbraw/zinc/28/13/51/897281351.db2.gz HRKOSTAYKVFKME-HNNXBMFYSA-N 1 1 357.458 1.835 50 0 FDAAMO Nc1nc2c(c(NCCc3cn[nH]c3)n1)CC[N@H+](C1CCOCC1)CC2 ZINC000072475268 899276946 /nfs/dbraw/zinc/27/69/46/899276946.db2.gz BPIYQZRVKXCFRL-UHFFFAOYSA-N 1 1 357.462 1.016 50 0 FDAAMO Cc1ncc2c(c1-c1nnn(C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)n1)CCC2 ZINC000063872194 901706808 /nfs/dbraw/zinc/70/68/08/901706808.db2.gz SYPODQLCNNVVKG-YLJYHZDGSA-N 1 1 368.485 1.912 50 0 FDAAMO CCc1ccc(C[N@@H+]2CCOC3(CCN(S(C)(=O)=O)CC3)C2)s1 ZINC000823529169 921914129 /nfs/dbraw/zinc/91/41/29/921914129.db2.gz ODRZHQJPJXRNOP-UHFFFAOYSA-N 1 1 358.529 1.937 50 0 FDAAMO CCc1ccc(C[N@H+]2CCOC3(CCN(S(C)(=O)=O)CC3)C2)s1 ZINC000823529169 921914136 /nfs/dbraw/zinc/91/41/36/921914136.db2.gz ODRZHQJPJXRNOP-UHFFFAOYSA-N 1 1 358.529 1.937 50 0 FDAAMO C[N@@H+]1CC[C@H](C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1 ZINC000823754999 922038766 /nfs/dbraw/zinc/03/87/66/922038766.db2.gz POOHCGXCGZRSEW-KRWDZBQOSA-N 1 1 358.486 1.227 50 0 FDAAMO C[N@H+]1CC[C@H](C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1 ZINC000823754999 922038775 /nfs/dbraw/zinc/03/87/75/922038775.db2.gz POOHCGXCGZRSEW-KRWDZBQOSA-N 1 1 358.486 1.227 50 0 FDAAMO O=C([C@@H]1CCOC1)N1CCC2(CC1)C[N@H+](C1Cc3ccccc3C1)CCO2 ZINC000827921440 924776351 /nfs/dbraw/zinc/77/63/51/924776351.db2.gz YKKHGHBYANXOGK-LJQANCHMSA-N 1 1 370.493 1.884 50 0 FDAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)c3ccc4[nH]ccc4c3)C[C@H]21 ZINC000581782292 927575398 /nfs/dbraw/zinc/57/53/98/927575398.db2.gz YWPUXJPXAKTULR-IEBWSBKVSA-N 1 1 357.454 1.977 50 0 FDAAMO CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1F ZINC000952869755 960213301 /nfs/dbraw/zinc/21/33/01/960213301.db2.gz ZSCCMZYORSKZEZ-OCCSQVGLSA-N 1 1 351.422 1.599 50 0 FDAAMO NCc1nc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCC3)cc2)co1 ZINC000952962080 960244922 /nfs/dbraw/zinc/24/49/22/960244922.db2.gz ABOGHTBUHJDQMQ-UHFFFAOYSA-N 1 1 357.414 1.810 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](COc3ccccc3)C2)C1 ZINC000952963658 960246432 /nfs/dbraw/zinc/24/64/32/960246432.db2.gz LKWVWRWWZUPHDU-IRXDYDNUSA-N 1 1 359.470 1.501 50 0 FDAAMO Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c1C ZINC000952965344 960250198 /nfs/dbraw/zinc/25/01/98/960250198.db2.gz RIQKRJWEDNKENQ-ZDUSSCGKSA-N 1 1 359.430 1.423 50 0 FDAAMO Cc1cc2[nH]c(=O)[nH]c2c(NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c1C ZINC000952965344 960250207 /nfs/dbraw/zinc/25/02/07/960250207.db2.gz RIQKRJWEDNKENQ-ZDUSSCGKSA-N 1 1 359.430 1.423 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000952968682 960283733 /nfs/dbraw/zinc/28/37/33/960283733.db2.gz DCPLXLNHSRWKQQ-SJORKVTESA-N 1 1 361.461 1.804 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 ZINC000952969039 960284828 /nfs/dbraw/zinc/28/48/28/960284828.db2.gz HNCKMMHDLOQMOD-QGZVFWFLSA-N 1 1 355.482 1.690 50 0 FDAAMO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000088562533 1013205913 /nfs/dbraw/zinc/20/59/13/1013205913.db2.gz YAQQGOXZNATDQI-QGZVFWFLSA-N 1 1 358.486 1.456 50 0 FDAAMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCC(=O)N1CCCC1 ZINC000088562533 1013205925 /nfs/dbraw/zinc/20/59/25/1013205925.db2.gz YAQQGOXZNATDQI-QGZVFWFLSA-N 1 1 358.486 1.456 50 0 FDAAMO Cc1nccn1CCN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091736617 1006755202 /nfs/dbraw/zinc/75/52/02/1006755202.db2.gz YXEWAVKZIAWOOY-FQEVSTJZSA-N 1 1 359.518 1.600 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1nnc2n1CCC2 ZINC000266552130 210006092 /nfs/dbraw/zinc/00/60/92/210006092.db2.gz IHUUFVCJMLADHU-MRXNPFEDSA-N 1 1 355.442 1.132 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1nnc2n1CCC2 ZINC000266552130 210006098 /nfs/dbraw/zinc/00/60/98/210006098.db2.gz IHUUFVCJMLADHU-MRXNPFEDSA-N 1 1 355.442 1.132 50 0 FDAAMO CC[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000274176605 181039831 /nfs/dbraw/zinc/03/98/31/181039831.db2.gz IZTITACOSRHWOG-QGZVFWFLSA-N 1 1 367.515 1.391 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](CCn2c3ccccc3oc2=O)C1 ZINC000215109968 209634210 /nfs/dbraw/zinc/63/42/10/209634210.db2.gz IDWLVZKOEMKDJP-ZDUSSCGKSA-N 1 1 357.414 1.095 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3cc(C)no3)[C@H]1C[C@H](NC(=O)c1cnccn1)CC2 ZINC000534590180 540387237 /nfs/dbraw/zinc/38/72/37/540387237.db2.gz QGRCPGPTPBQYTA-DKSSEZFCSA-N 1 1 371.441 1.715 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3ccco3)[C@H]1C[C@H](NC(=O)c1ccnn1C)CC2 ZINC000534637047 540392881 /nfs/dbraw/zinc/39/28/81/540392881.db2.gz KGZZSIZVISDCLX-DKSSEZFCSA-N 1 1 358.442 1.955 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000106028558 209270416 /nfs/dbraw/zinc/27/04/16/209270416.db2.gz GKZKFLALFQIGCY-IBGZPJMESA-N 1 1 367.497 1.729 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cn2nccc2C)C[N@H+]1C1CCCCC1 ZINC000097743586 209194854 /nfs/dbraw/zinc/19/48/54/209194854.db2.gz BPHXQFCUEXYEQG-RDJZCZTQSA-N 1 1 361.490 1.219 50 0 FDAAMO O=S(=O)(Nc1ncc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cn1)c1ccccc1 ZINC000097675444 209191089 /nfs/dbraw/zinc/19/10/89/209191089.db2.gz NPECARCNNQBNQW-HOCLYGCPSA-N 1 1 373.482 1.461 50 0 FDAAMO CN(C)C1=NC(=O)C2(CC[NH+](Cc3ccc([C@H]4CCCO4)s3)CC2)N1 ZINC000097575161 209187585 /nfs/dbraw/zinc/18/75/85/209187585.db2.gz AHVAZTLOHJERTP-CQSZACIVSA-N 1 1 362.499 1.982 50 0 FDAAMO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000097301307 209177266 /nfs/dbraw/zinc/17/72/66/209177266.db2.gz REFQBSMQBBDHLF-SECBINFHSA-N 1 1 368.787 1.669 50 0 FDAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)cc2sc(N)nc21 ZINC000097155809 209173165 /nfs/dbraw/zinc/17/31/65/209173165.db2.gz LAOHHTRRXVCEON-NSHDSACASA-N 1 1 361.471 1.114 50 0 FDAAMO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)NCC[N@H+]2CCC[C@@H]2C)C1 ZINC000097010698 209166709 /nfs/dbraw/zinc/16/67/09/209166709.db2.gz OPOKTSWZVIYFFM-MAUKXSAKSA-N 1 1 372.469 1.785 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)CC1 ZINC000096536576 209154148 /nfs/dbraw/zinc/15/41/48/209154148.db2.gz VKRSYNNFFXQQEN-UHFFFAOYSA-N 1 1 370.453 1.786 50 0 FDAAMO COc1cccc([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096279981 209148199 /nfs/dbraw/zinc/14/81/99/209148199.db2.gz LRTFCDRWONRBDY-OALUTQOASA-N 1 1 373.497 1.667 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000096152957 209125247 /nfs/dbraw/zinc/12/52/47/209125247.db2.gz PHSQUCWSBUWAOM-OXQOHEQNSA-N 1 1 355.438 1.833 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2)C[N@H+]1C1CCCCCC1 ZINC000096149754 209123813 /nfs/dbraw/zinc/12/38/13/209123813.db2.gz YKLYKXXYDVVCLK-WMZOPIPTSA-N 1 1 373.501 1.817 50 0 FDAAMO COc1cc2cccnc2c(NC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000096147919 209123617 /nfs/dbraw/zinc/12/36/17/209123617.db2.gz DFGZPYLXSVHKRH-AWEZNQCLSA-N 1 1 371.441 1.562 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2C)C[N@@H+]1CCC=C(C)C ZINC000096141648 209121776 /nfs/dbraw/zinc/12/17/76/209121776.db2.gz OBETXWUFDHAGFU-WMZOPIPTSA-N 1 1 373.501 1.759 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cnc(C)nc2C)C[N@H+]1CCC=C(C)C ZINC000096141648 209121779 /nfs/dbraw/zinc/12/17/79/209121779.db2.gz OBETXWUFDHAGFU-WMZOPIPTSA-N 1 1 373.501 1.759 50 0 FDAAMO C[C@H](c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1)[NH+]1CCOCC1 ZINC000096132709 209117460 /nfs/dbraw/zinc/11/74/60/209117460.db2.gz STRUOEMFQYYGGZ-GFCCVEGCSA-N 1 1 369.425 1.021 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Nc2ccc3cccnc3c2)C1 ZINC000096131479 209115396 /nfs/dbraw/zinc/11/53/96/209115396.db2.gz QSEAKACEUHHVGG-HNNXBMFYSA-N 1 1 355.442 1.944 50 0 FDAAMO O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004487598 207022331 /nfs/dbraw/zinc/02/23/31/207022331.db2.gz ROUPVEVEXKIBOB-OTWHNJEPSA-N 1 1 370.497 1.120 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000006600644 207149272 /nfs/dbraw/zinc/14/92/72/207149272.db2.gz GSSLOSPSJDREJB-ZDUSSCGKSA-N 1 1 359.451 1.719 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000006600644 207149277 /nfs/dbraw/zinc/14/92/77/207149277.db2.gz GSSLOSPSJDREJB-ZDUSSCGKSA-N 1 1 359.451 1.719 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C1 ZINC000008725389 207245380 /nfs/dbraw/zinc/24/53/80/207245380.db2.gz ZMXXPEXKXZQVKY-UHFFFAOYSA-N 1 1 372.816 1.424 50 0 FDAAMO CC[C@@H]1C[N@H+](CCNC(=O)c2cc[n+]([O-])cc2)Cc2cc(OC)ccc2O1 ZINC000011841613 207325032 /nfs/dbraw/zinc/32/50/32/207325032.db2.gz ZORAYZSIWDGGQD-QGZVFWFLSA-N 1 1 371.437 1.732 50 0 FDAAMO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc[n+]([O-])cc2)Cc2cc(OC)ccc2O1 ZINC000011841613 207325036 /nfs/dbraw/zinc/32/50/36/207325036.db2.gz ZORAYZSIWDGGQD-QGZVFWFLSA-N 1 1 371.437 1.732 50 0 FDAAMO C[N@@H+](C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O)C1CCOCC1 ZINC000011878345 207328049 /nfs/dbraw/zinc/32/80/49/207328049.db2.gz OWGGAOIHQXOZKA-LJQANCHMSA-N 1 1 350.434 1.790 50 0 FDAAMO CC[C@@H](C)C[N@@H+]1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 ZINC000012512512 207384891 /nfs/dbraw/zinc/38/48/91/207384891.db2.gz CMBYFFNWRBFGOB-MRXNPFEDSA-N 1 1 371.485 1.878 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CNC(C)=O)C1 ZINC000012571521 207395585 /nfs/dbraw/zinc/39/55/85/207395585.db2.gz YPSBQNBEFKMUEP-QGZVFWFLSA-N 1 1 361.486 1.544 50 0 FDAAMO O=C(c1cn(C2CCCCC2)nn1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000012592867 207397830 /nfs/dbraw/zinc/39/78/30/207397830.db2.gz SWEGAAWZNQFSBM-KRWDZBQOSA-N 1 1 361.490 1.845 50 0 FDAAMO O=C(c1cn(C2CCCCC2)nn1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000012592864 207399282 /nfs/dbraw/zinc/39/92/82/207399282.db2.gz SWEGAAWZNQFSBM-QGZVFWFLSA-N 1 1 361.490 1.845 50 0 FDAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1cnn(C)c1 ZINC000032540006 208030738 /nfs/dbraw/zinc/03/07/38/208030738.db2.gz KWBHNTQMESIMAM-KRWDZBQOSA-N 1 1 355.486 1.585 50 0 FDAAMO CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032924407 208058883 /nfs/dbraw/zinc/05/88/83/208058883.db2.gz VGZSPJHOASQZJV-NWDGAFQWSA-N 1 1 358.464 1.128 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H](C)[NH2+]1 ZINC000070076841 208127048 /nfs/dbraw/zinc/12/70/48/208127048.db2.gz IIBLPZYDXJDQQT-DTORHVGOSA-N 1 1 351.241 1.959 50 0 FDAAMO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c[nH]1 ZINC000036146004 208149493 /nfs/dbraw/zinc/14/94/93/208149493.db2.gz PKQFZNMZWKOVRZ-UHFFFAOYSA-N 1 1 355.460 1.440 50 0 FDAAMO CC(C)CC(=O)N1CC[NH+]([C@@H](C(=O)N2CCOCC2)C2CCCC2)CC1 ZINC000036249982 208152470 /nfs/dbraw/zinc/15/24/70/208152470.db2.gz SUGQKQUUHXIDAD-LJQANCHMSA-N 1 1 365.518 1.594 50 0 FDAAMO COC[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000040071659 208221512 /nfs/dbraw/zinc/22/15/12/208221512.db2.gz LNTQFITYSDHLDQ-MRXNPFEDSA-N 1 1 373.497 1.434 50 0 FDAAMO O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000040079568 208223932 /nfs/dbraw/zinc/22/39/32/208223932.db2.gz OKMLQYSQSGRQMI-FUHWJXTLSA-N 1 1 357.454 1.363 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)[NH+]1CCOCC1 ZINC000040092283 208226078 /nfs/dbraw/zinc/22/60/78/208226078.db2.gz SNKCEKDITTWIDM-INIZCTEOSA-N 1 1 359.474 1.688 50 0 FDAAMO O=C(Cn1nc2c(cc1=O)CCCCC2)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192239 208236312 /nfs/dbraw/zinc/23/63/12/208236312.db2.gz YYKQHSHWOBSLSD-PKOBYXMFSA-N 1 1 372.513 1.893 50 0 biogenic FDAAMO COc1ccc(OC)c(S(=O)(=O)NCCNc2cccc(C)[nH+]2)c1 ZINC000072307471 208829946 /nfs/dbraw/zinc/82/99/46/208829946.db2.gz QSOCGQPYPHMPNR-UHFFFAOYSA-N 1 1 351.428 1.798 50 0 FDAAMO Cc1nn(CCC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c(C)c1C ZINC000091872489 209002603 /nfs/dbraw/zinc/00/26/03/209002603.db2.gz NQTUMVFJFHYWMH-UHFFFAOYSA-N 1 1 370.501 1.927 50 0 FDAAMO CC1([C@H]2CCCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011023 209096001 /nfs/dbraw/zinc/09/60/01/209096001.db2.gz LLEFHFZZOZMBEA-RBUKOAKNSA-N 1 1 374.481 1.889 50 0 FDAAMO CC1([C@H]2CCCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011023 209096003 /nfs/dbraw/zinc/09/60/03/209096003.db2.gz LLEFHFZZOZMBEA-RBUKOAKNSA-N 1 1 374.481 1.889 50 0 FDAAMO COC(=O)CC[N@@H+]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C ZINC000095983930 209092934 /nfs/dbraw/zinc/09/29/34/209092934.db2.gz ANVXQCBZJOJNSJ-CYBMUJFWSA-N 1 1 362.405 1.945 50 0 FDAAMO COC(=O)CC[N@H+]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@H]1C ZINC000095983930 209092939 /nfs/dbraw/zinc/09/29/39/209092939.db2.gz ANVXQCBZJOJNSJ-CYBMUJFWSA-N 1 1 362.405 1.945 50 0 FDAAMO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000092002942 209011762 /nfs/dbraw/zinc/01/17/62/209011762.db2.gz SMWRKEQMFBPDQB-WOJBJXKFSA-N 1 1 360.498 1.635 50 0 FDAAMO COc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c1 ZINC000092004356 209011832 /nfs/dbraw/zinc/01/18/32/209011832.db2.gz JTQBPSXCUBDPBO-DZGCQCFKSA-N 1 1 363.433 1.345 50 0 FDAAMO COc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c1 ZINC000092004356 209011836 /nfs/dbraw/zinc/01/18/36/209011836.db2.gz JTQBPSXCUBDPBO-DZGCQCFKSA-N 1 1 363.433 1.345 50 0 FDAAMO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1CO ZINC000092077293 209016368 /nfs/dbraw/zinc/01/63/68/209016368.db2.gz BHVLOQBJSQMONZ-ZIAGYGMSSA-N 1 1 356.850 1.304 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(O)c(Cl)c2)C[C@@H]1CO ZINC000092077293 209016371 /nfs/dbraw/zinc/01/63/71/209016371.db2.gz BHVLOQBJSQMONZ-ZIAGYGMSSA-N 1 1 356.850 1.304 50 0 FDAAMO CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095360472 209028137 /nfs/dbraw/zinc/02/81/37/209028137.db2.gz GNYBCDXVVSXMLQ-FUHWJXTLSA-N 1 1 360.502 1.937 50 0 FDAAMO Nc1nnc(SCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)s1 ZINC000095359480 209028344 /nfs/dbraw/zinc/02/83/44/209028344.db2.gz RFXCCMBAPCSQHZ-CHWSQXEVSA-N 1 1 367.544 1.935 50 0 FDAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000095372184 209034945 /nfs/dbraw/zinc/03/49/45/209034945.db2.gz PBJXQRDKRSPEAE-CQSZACIVSA-N 1 1 368.503 1.014 50 0 FDAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000095372184 209034946 /nfs/dbraw/zinc/03/49/46/209034946.db2.gz PBJXQRDKRSPEAE-CQSZACIVSA-N 1 1 368.503 1.014 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)Cc3ccccc3F)CC[N@H+]2C)CCC1=O ZINC000095378476 209039327 /nfs/dbraw/zinc/03/93/27/209039327.db2.gz GAXKFGXDWHFWHM-FQEVSTJZSA-N 1 1 361.461 1.913 50 0 FDAAMO NC(=O)NCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095385237 209043626 /nfs/dbraw/zinc/04/36/26/209043626.db2.gz HFQWFZPQDCPBQE-JCURWCKSSA-N 1 1 364.396 1.022 50 0 FDAAMO COCC(=O)N1CCC(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000095391881 209047042 /nfs/dbraw/zinc/04/70/42/209047042.db2.gz WRDYJTXIIKGUHB-SFHVURJKSA-N 1 1 359.470 1.387 50 0 FDAAMO COCC(=O)N1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000095391881 209047044 /nfs/dbraw/zinc/04/70/44/209047044.db2.gz WRDYJTXIIKGUHB-SFHVURJKSA-N 1 1 359.470 1.387 50 0 FDAAMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 ZINC000095430233 209048488 /nfs/dbraw/zinc/04/84/88/209048488.db2.gz KUQFCOYDXHYSAR-DOTOQJQBSA-N 1 1 350.459 1.515 50 0 FDAAMO CCC[C@@H]1CN(C(=O)c2cnn(C)c2-n2cccc2)CC[N@H+]1CCOC ZINC000095452149 209052613 /nfs/dbraw/zinc/05/26/13/209052613.db2.gz KXVSSOQUTKQZQA-MRXNPFEDSA-N 1 1 359.474 1.784 50 0 FDAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2cn3cc(Cl)ccc3n2)C[C@H]1C ZINC000095461103 209053693 /nfs/dbraw/zinc/05/36/93/209053693.db2.gz VTPBZGLNDAUDQL-CHWSQXEVSA-N 1 1 365.865 1.584 50 0 FDAAMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000095501231 209060825 /nfs/dbraw/zinc/06/08/25/209060825.db2.gz ITFCCHPUOVHHBI-SFHVURJKSA-N 1 1 362.433 1.938 50 0 FDAAMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000095501231 209060832 /nfs/dbraw/zinc/06/08/32/209060832.db2.gz ITFCCHPUOVHHBI-SFHVURJKSA-N 1 1 362.433 1.938 50 0 FDAAMO O[C@@H](COc1ccccc1CN1CCCOCC1)C[NH+]1CCSCC1 ZINC000095500097 209061212 /nfs/dbraw/zinc/06/12/12/209061212.db2.gz KHBJMZNYTFLZIO-GOSISDBHSA-N 1 1 366.527 1.697 50 0 FDAAMO O=C(CO)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095505081 209064553 /nfs/dbraw/zinc/06/45/53/209064553.db2.gz LFEMXFSHQXCZHJ-IBGZPJMESA-N 1 1 373.497 1.342 50 0 FDAAMO COc1ccc(CN2CCC(O)CC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095502605 209064002 /nfs/dbraw/zinc/06/40/02/209064002.db2.gz ONGHFUXXQYWRQL-GOSISDBHSA-N 1 1 364.486 1.487 50 0 FDAAMO COc1ccc(-n2cnnn2)c(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000095509433 209066563 /nfs/dbraw/zinc/06/65/63/209066563.db2.gz DNHKDZULXUHHCD-QWHCGFSZSA-N 1 1 357.418 1.371 50 0 FDAAMO CCC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000095516895 209071489 /nfs/dbraw/zinc/07/14/89/209071489.db2.gz KSNUORGTVXUHSR-GOSISDBHSA-N 1 1 365.518 1.524 50 0 FDAAMO CCC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000095516895 209071494 /nfs/dbraw/zinc/07/14/94/209071494.db2.gz KSNUORGTVXUHSR-GOSISDBHSA-N 1 1 365.518 1.524 50 0 FDAAMO CCN1CC[C@@]2(CN(c3nc(N)nc4c3CCC4)CC[N@@H+]2C)CCC1=O ZINC000091707272 132203350 /nfs/dbraw/zinc/20/33/50/132203350.db2.gz MDCHBMLNEKINHX-LJQANCHMSA-N 1 1 358.490 1.071 50 0 FDAAMO CCN1CC[C@@]2(CN(c3nc(N)nc4c3CCC4)CC[N@H+]2C)CCC1=O ZINC000091707272 132203351 /nfs/dbraw/zinc/20/33/51/132203351.db2.gz MDCHBMLNEKINHX-LJQANCHMSA-N 1 1 358.490 1.071 50 0 FDAAMO CNc1ccnc(N2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)n1 ZINC000092027927 132205481 /nfs/dbraw/zinc/20/54/81/132205481.db2.gz WNSJCJDLQIEHHE-UHFFFAOYSA-N 1 1 367.461 1.584 50 0 FDAAMO C[C@@H](C(=O)N1CCN(c2cnccn2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000095356925 132207537 /nfs/dbraw/zinc/20/75/37/132207537.db2.gz NZXHMZWGKGAFBU-INIZCTEOSA-N 1 1 351.454 1.572 50 0 FDAAMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ncc[nH]c3=O)CC2)cc1 ZINC000097729673 132230790 /nfs/dbraw/zinc/23/07/90/132230790.db2.gz QVXBZBSSTVPAPI-UHFFFAOYSA-N 1 1 366.425 1.491 50 0 FDAAMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@H]2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000101487833 132234144 /nfs/dbraw/zinc/23/41/44/132234144.db2.gz UWBQHZKARFQCON-KZNAEPCWSA-N 1 1 356.470 1.125 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012696277 132267414 /nfs/dbraw/zinc/26/74/14/132267414.db2.gz GHRLWOPMFOCZIO-HUUCEWRRSA-N 1 1 360.458 1.048 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)CC2)c1 ZINC000230131793 132288786 /nfs/dbraw/zinc/28/87/86/132288786.db2.gz WTRBQKFCDCCJFG-UYAOXDASSA-N 1 1 356.514 1.812 50 0 FDAAMO OCCNc1nc(N2CCC(c3cc[nH]n3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299779050 132299353 /nfs/dbraw/zinc/29/93/53/132299353.db2.gz UAMGOGYWLJCQND-AWEZNQCLSA-N 1 1 358.446 1.492 50 0 FDAAMO O=C1[C@H]2CCCCN2C(=O)N1CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052584240 136124374 /nfs/dbraw/zinc/12/43/74/136124374.db2.gz GYYGQJMROIRYRA-QGZVFWFLSA-N 1 1 360.433 1.764 50 0 FDAAMO CC(C)[C@]1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000060358235 136132339 /nfs/dbraw/zinc/13/23/39/136132339.db2.gz MEANVTUQMIYMSX-XLIONFOSSA-N 1 1 374.485 1.136 50 0 FDAAMO OCC[NH+]1CCN(C2CCN(c3nccc(C4CCCC4)n3)CC2)CC1 ZINC000071745650 136139897 /nfs/dbraw/zinc/13/98/97/136139897.db2.gz RULNLXSDQGDJEX-UHFFFAOYSA-N 1 1 359.518 1.713 50 0 FDAAMO Nc1cc(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)nc[nH+]1 ZINC000071721334 136139911 /nfs/dbraw/zinc/13/99/11/136139911.db2.gz XSNXFOQXZHKQDX-UHFFFAOYSA-N 1 1 351.414 1.376 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(c3ccc(-c4ccccc4)nn3)C[C@H]2O)CC1 ZINC000071756780 136140294 /nfs/dbraw/zinc/14/02/94/136140294.db2.gz PMQFUCHQMVVRAG-RTBURBONSA-N 1 1 353.470 1.331 50 0 FDAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(c2ncnc3[nH]ccc32)C[C@H]1O ZINC000071752549 136140336 /nfs/dbraw/zinc/14/03/36/136140336.db2.gz LEUWGRLQXTZIKP-IAGOWNOFSA-N 1 1 352.442 1.467 50 0 FDAAMO CC(C)c1nc2c(cnn2C)c(N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000072150575 136142866 /nfs/dbraw/zinc/14/28/66/136142866.db2.gz ZSWQLZGBTUGVKV-OAHLLOKOSA-N 1 1 358.490 1.912 50 0 FDAAMO CSc1nc(N2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)cc(N)[nH+]1 ZINC000072433517 136147149 /nfs/dbraw/zinc/14/71/49/136147149.db2.gz QHGHSJGFPMWPKD-LLVKDONJSA-N 1 1 362.507 1.355 50 0 FDAAMO Cc1nn(C)c2nc(C)nc(NCC[NH+]3CCN(c4ncccn4)CC3)c12 ZINC000072463261 136148763 /nfs/dbraw/zinc/14/87/63/136148763.db2.gz HYPOOGUPUMZGTC-UHFFFAOYSA-N 1 1 367.461 1.004 50 0 FDAAMO COc1cc(CN2CCCOCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095524251 209075902 /nfs/dbraw/zinc/07/59/02/209075902.db2.gz OLEMEISFQFFFKI-GOSISDBHSA-N 1 1 366.502 1.997 50 0 FDAAMO COc1cc(CN2CCCOCC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095524251 209075907 /nfs/dbraw/zinc/07/59/07/209075907.db2.gz OLEMEISFQFFFKI-GOSISDBHSA-N 1 1 366.502 1.997 50 0 FDAAMO CCc1cnc(N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)s1 ZINC000331418427 259193992 /nfs/dbraw/zinc/19/39/92/259193992.db2.gz QLTOQZXEAFIRLO-UHFFFAOYSA-N 1 1 365.503 1.548 50 0 FDAAMO C[N@H+]1CCC[C@H]1CCNC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000426440312 263592645 /nfs/dbraw/zinc/59/26/45/263592645.db2.gz QMJMIQQIQBZGGD-KRWDZBQOSA-N 1 1 374.485 1.404 50 0 FDAAMO O=C(NCc1ccc2nonc2c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000426690738 263658558 /nfs/dbraw/zinc/65/85/58/263658558.db2.gz SSDYYTXLAWMLJS-HNNXBMFYSA-N 1 1 359.430 1.619 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC ZINC000000848837 518222659 /nfs/dbraw/zinc/22/26/59/518222659.db2.gz PKIIOZAICIYOSN-AWEZNQCLSA-N 1 1 362.474 1.934 50 0 FDAAMO CCCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000003007935 518257359 /nfs/dbraw/zinc/25/73/59/518257359.db2.gz KWLXMFIMFKWOGW-OAHLLOKOSA-N 1 1 359.536 1.429 50 0 FDAAMO Cc1ccc2[nH+]c(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cn2c1 ZINC000005267462 518338345 /nfs/dbraw/zinc/33/83/45/518338345.db2.gz NZGACQNMTJRTBW-UHFFFAOYSA-N 1 1 372.450 1.637 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000006784276 518387035 /nfs/dbraw/zinc/38/70/35/518387035.db2.gz BWKXZFWPHFITAG-OAHLLOKOSA-N 1 1 359.536 1.286 50 0 FDAAMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000007203273 518408236 /nfs/dbraw/zinc/40/82/36/518408236.db2.gz XFXGZXAODWMXGW-VIFPVBQESA-N 1 1 372.454 1.886 50 0 FDAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2ccccn2)CC1 ZINC000007856039 518440948 /nfs/dbraw/zinc/44/09/48/518440948.db2.gz YEFUBRZBKVNBJY-SFHVURJKSA-N 1 1 353.470 1.906 50 0 FDAAMO COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000008863627 518489426 /nfs/dbraw/zinc/48/94/26/518489426.db2.gz WCUGSBCBTVXBAI-MRXNPFEDSA-N 1 1 361.467 1.792 50 0 FDAAMO COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000010330882 518534195 /nfs/dbraw/zinc/53/41/95/518534195.db2.gz BCMGJXDWYATICO-AWEZNQCLSA-N 1 1 361.398 1.654 50 0 FDAAMO C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCOCC)n(C)c1=O ZINC000010387133 518535098 /nfs/dbraw/zinc/53/50/98/518535098.db2.gz ZYQCURXOYZBRJC-STMXVASLSA-N 1 1 374.445 1.266 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000013591621 518662608 /nfs/dbraw/zinc/66/26/08/518662608.db2.gz BAUVBXLDNZRGPD-QZHFEQFPSA-N 1 1 373.497 1.527 50 0 FDAAMO COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000013648564 518663798 /nfs/dbraw/zinc/66/37/98/518663798.db2.gz LHFNCRTYTOEWBS-SAPNQHFASA-N 1 1 369.421 1.833 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000014121717 518675760 /nfs/dbraw/zinc/67/57/60/518675760.db2.gz IOWNBMYWSNTUEY-OAHLLOKOSA-N 1 1 372.469 1.329 50 0 FDAAMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000014981663 518703791 /nfs/dbraw/zinc/70/37/91/518703791.db2.gz LZIPUAWXJALRLJ-OAHLLOKOSA-N 1 1 368.499 1.865 50 0 FDAAMO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]Cc1ncc[nH]1 ZINC000015080335 518708790 /nfs/dbraw/zinc/70/87/90/518708790.db2.gz LGGZWOQRKSJCRV-QGZVFWFLSA-N 1 1 350.369 1.331 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nnc(Cc2ccc(OC)c(OC)c2)o1 ZINC000015675151 518730249 /nfs/dbraw/zinc/73/02/49/518730249.db2.gz KPUZEPPLKBEWOM-AWEZNQCLSA-N 1 1 374.441 1.892 50 0 FDAAMO Cc1ccc(CNC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000016020936 518741053 /nfs/dbraw/zinc/74/10/53/518741053.db2.gz NTQMPZXGYNPKCJ-BEFAXECRSA-N 1 1 351.450 1.830 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C[C@H]2O)CC1 ZINC000019794659 518835852 /nfs/dbraw/zinc/83/58/52/518835852.db2.gz BXYRLSNPZOWRSK-WOJBJXKFSA-N 1 1 372.513 1.110 50 0 FDAAMO C[NH+]1CCN(C(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)CC1 ZINC000019819704 518838390 /nfs/dbraw/zinc/83/83/90/518838390.db2.gz KAIZBXNDTQERFU-UHFFFAOYSA-N 1 1 371.890 1.658 50 0 FDAAMO CCC(NCCC[NH+](C)C)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000020292090 518847205 /nfs/dbraw/zinc/84/72/05/518847205.db2.gz BQZCITOOKOOLGZ-FOCLMDBBSA-N 1 1 358.442 1.470 50 0 FDAAMO COc1cccc2c1OCC(C[NH+]1CCN(c3cnn(C)c(=O)c3)CC1)=C2 ZINC000020450638 518849684 /nfs/dbraw/zinc/84/96/84/518849684.db2.gz JZFBQDWCKRQGMK-UHFFFAOYSA-N 1 1 368.437 1.387 50 0 FDAAMO CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H]([NH2+]CC(C)C)C2 ZINC000020999668 518862564 /nfs/dbraw/zinc/86/25/64/518862564.db2.gz ODLNKXWROOXLJQ-INIZCTEOSA-N 1 1 361.534 1.784 50 0 FDAAMO CCS(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)[nH+]2)CC1 ZINC000021794687 518882515 /nfs/dbraw/zinc/88/25/15/518882515.db2.gz GJFMCINOYMMIMB-UHFFFAOYSA-N 1 1 353.492 1.247 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3sccc3C(N)=O)CC2)c1 ZINC000023249324 518938053 /nfs/dbraw/zinc/93/80/53/518938053.db2.gz IIKFPKOUXQISAQ-UHFFFAOYSA-N 1 1 372.494 1.912 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1 ZINC000024587150 518998477 /nfs/dbraw/zinc/99/84/77/518998477.db2.gz NEZUMCQLNMIOGV-HNNXBMFYSA-N 1 1 354.410 1.868 50 0 FDAAMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000025391648 519060883 /nfs/dbraw/zinc/06/08/83/519060883.db2.gz DZSSVGVUOIZIMS-UHFFFAOYSA-N 1 1 364.515 1.532 50 0 FDAAMO O=C(CCNC(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000027689024 519192825 /nfs/dbraw/zinc/19/28/25/519192825.db2.gz WUMYSACTBJIWOP-UHFFFAOYSA-N 1 1 353.850 1.298 50 0 FDAAMO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCc1ccc(F)cc1 ZINC000033434167 519586808 /nfs/dbraw/zinc/58/68/08/519586808.db2.gz WHUHPCXAPZYHBU-CVEARBPZSA-N 1 1 355.413 1.723 50 0 FDAAMO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)NCc1ccc(F)cc1 ZINC000033434167 519586816 /nfs/dbraw/zinc/58/68/16/519586816.db2.gz WHUHPCXAPZYHBU-CVEARBPZSA-N 1 1 355.413 1.723 50 0 FDAAMO CCOc1cc(-c2noc(CCC(=O)N3CC[NH+](C)CC3)n2)ccc1OC ZINC000020051358 520614176 /nfs/dbraw/zinc/61/41/76/520614176.db2.gz DLKDQYLYUSSPFU-UHFFFAOYSA-N 1 1 374.441 1.851 50 0 FDAAMO CCN1C[C@H](C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)CC1=O ZINC000082120599 521728321 /nfs/dbraw/zinc/72/83/21/521728321.db2.gz UBBDZDSJJRYFIZ-OAHLLOKOSA-N 1 1 373.501 1.516 50 0 FDAAMO COc1c(F)cc(C[N@@H+]2C[C@H](NC(=O)CCO)[C@@H](C3CC3)C2)cc1F ZINC000091656052 521849940 /nfs/dbraw/zinc/84/99/40/521849940.db2.gz CDLJHXXHBGUIEU-CJNGLKHVSA-N 1 1 354.397 1.682 50 0 FDAAMO COc1c(F)cc(C[N@H+]2C[C@H](NC(=O)CCO)[C@@H](C3CC3)C2)cc1F ZINC000091656052 521849951 /nfs/dbraw/zinc/84/99/51/521849951.db2.gz CDLJHXXHBGUIEU-CJNGLKHVSA-N 1 1 354.397 1.682 50 0 FDAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057381147 522079524 /nfs/dbraw/zinc/07/95/24/522079524.db2.gz MDALPEDVXQVOEX-WDEREUQCSA-N 1 1 362.455 1.136 50 0 FDAAMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057381147 522079534 /nfs/dbraw/zinc/07/95/34/522079534.db2.gz MDALPEDVXQVOEX-WDEREUQCSA-N 1 1 362.455 1.136 50 0 FDAAMO COc1ccc2cc(C[N@@H+](C)Cc3cc(=O)n(C)c(=O)n3C)ccc2c1 ZINC000057449664 522093895 /nfs/dbraw/zinc/09/38/95/522093895.db2.gz ZBNFDMWYALEYPI-UHFFFAOYSA-N 1 1 353.422 1.878 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CC(O)C1 ZINC000071575171 522118566 /nfs/dbraw/zinc/11/85/66/522118566.db2.gz BSJRKEJHGHVDPP-LJQANCHMSA-N 1 1 371.525 1.609 50 0 FDAAMO CN(Cc1ccon1)C(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071662927 522118636 /nfs/dbraw/zinc/11/86/36/522118636.db2.gz MFEPVEOSZYHMKI-INIZCTEOSA-N 1 1 374.485 1.746 50 0 FDAAMO O=C(NCCc1cn[nH]c1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071747738 522122927 /nfs/dbraw/zinc/12/29/27/522122927.db2.gz MRFOKURVDSBYQD-QGZVFWFLSA-N 1 1 373.501 1.181 50 0 FDAAMO COCCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071764091 522129387 /nfs/dbraw/zinc/12/93/87/522129387.db2.gz UTHRKPYIRQEBNF-LJQANCHMSA-N 1 1 374.529 1.863 50 0 FDAAMO CCc1ccc2occ(CC(=O)N3CC[NH2+]C[C@H]3C(=O)N3CCCC3)c2c1 ZINC000072124229 522156033 /nfs/dbraw/zinc/15/60/33/522156033.db2.gz QKTVOTJDYDBLJR-SFHVURJKSA-N 1 1 369.465 1.961 50 0 FDAAMO Cc1ccc2[nH]c(CCNC(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)nc2c1C ZINC000072167437 522194101 /nfs/dbraw/zinc/19/41/01/522194101.db2.gz LQOFJFOWOJFGDX-INIZCTEOSA-N 1 1 371.485 1.437 50 0 FDAAMO Cc1ccc2[nH]c(CCNC(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)nc2c1C ZINC000072167437 522194111 /nfs/dbraw/zinc/19/41/11/522194111.db2.gz LQOFJFOWOJFGDX-INIZCTEOSA-N 1 1 371.485 1.437 50 0 FDAAMO CN(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 ZINC000072168490 522196560 /nfs/dbraw/zinc/19/65/60/522196560.db2.gz IKTSHNBIWKDYEU-SFHVURJKSA-N 1 1 368.485 1.637 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnc(-c3cccnc3)nc2)C1 ZINC000072168490 522196572 /nfs/dbraw/zinc/19/65/72/522196572.db2.gz IKTSHNBIWKDYEU-SFHVURJKSA-N 1 1 368.485 1.637 50 0 FDAAMO O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072170443 522199698 /nfs/dbraw/zinc/19/96/98/522199698.db2.gz JXXPAEORGRPXMV-MRXNPFEDSA-N 1 1 355.442 1.533 50 0 FDAAMO O=C(c1cc(-c2ccncc2)[nH]n1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072170443 522199702 /nfs/dbraw/zinc/19/97/02/522199702.db2.gz JXXPAEORGRPXMV-MRXNPFEDSA-N 1 1 355.442 1.533 50 0 FDAAMO O=C(c1cc(-c2ccncc2)[nH]n1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072170443 522199709 /nfs/dbraw/zinc/19/97/09/522199709.db2.gz JXXPAEORGRPXMV-MRXNPFEDSA-N 1 1 355.442 1.533 50 0 FDAAMO Cc1ccccc1NC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072423365 522257080 /nfs/dbraw/zinc/25/70/80/522257080.db2.gz YNBSFGHYAPNDLL-QGZVFWFLSA-N 1 1 368.441 1.281 50 0 FDAAMO Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)cnn1C ZINC000072475711 522298250 /nfs/dbraw/zinc/29/82/50/522298250.db2.gz KMRQCYKOHGHNNP-MAUKXSAKSA-N 1 1 356.474 1.507 50 0 FDAAMO Cc1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)cnn1C ZINC000072475711 522298260 /nfs/dbraw/zinc/29/82/60/522298260.db2.gz KMRQCYKOHGHNNP-MAUKXSAKSA-N 1 1 356.474 1.507 50 0 FDAAMO Cc1c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cnc[nH]3)C2)cnn1C ZINC000072475711 522298269 /nfs/dbraw/zinc/29/82/69/522298269.db2.gz KMRQCYKOHGHNNP-MAUKXSAKSA-N 1 1 356.474 1.507 50 0 FDAAMO O=C1CC[C@H]2C[N@H+](Cc3cccc4nonc43)CC[C@H]2N1CCCCO ZINC000072478258 522303976 /nfs/dbraw/zinc/30/39/76/522303976.db2.gz USJMVAGCSGHCAJ-WMLDXEAASA-N 1 1 358.442 1.808 50 0 FDAAMO COCC(=O)N1CCC[N@H+](C2CCN(c3ccccc3OC)CC2)CC1 ZINC000065371861 522810069 /nfs/dbraw/zinc/81/00/69/522810069.db2.gz LLKWCDSZCLSOFK-UHFFFAOYSA-N 1 1 361.486 1.845 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(CC(F)(F)F)C2CCC2)C1 ZINC000075104905 522878509 /nfs/dbraw/zinc/87/85/09/522878509.db2.gz KJJBMCXPSHMHKL-HNNXBMFYSA-N 1 1 365.440 1.876 50 0 FDAAMO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065858151 522902995 /nfs/dbraw/zinc/90/29/95/522902995.db2.gz KSTPICXUDWALEJ-ZBFHGGJFSA-N 1 1 354.447 1.341 50 0 FDAAMO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065858151 522902997 /nfs/dbraw/zinc/90/29/97/522902997.db2.gz KSTPICXUDWALEJ-ZBFHGGJFSA-N 1 1 354.447 1.341 50 0 FDAAMO O=C(Cc1ccccc1F)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000075403623 522914124 /nfs/dbraw/zinc/91/41/24/522914124.db2.gz RVOFDGMSMFCHJR-IBGZPJMESA-N 1 1 373.472 1.913 50 0 FDAAMO O=C(Cc1ccccc1F)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000075403623 522914131 /nfs/dbraw/zinc/91/41/31/522914131.db2.gz RVOFDGMSMFCHJR-IBGZPJMESA-N 1 1 373.472 1.913 50 0 FDAAMO CCC(=O)N1CCC2(CN(CCC[NH+]3CCN(CC)CC3)C(=O)O2)CC1 ZINC000077356387 523305565 /nfs/dbraw/zinc/30/55/65/523305565.db2.gz KIURKCSBBHZZBD-UHFFFAOYSA-N 1 1 366.506 1.237 50 0 FDAAMO Cc1cccc(OC2CCN(C(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC000077356084 523305934 /nfs/dbraw/zinc/30/59/34/523305934.db2.gz VIKMCIDHUMZVOJ-INIZCTEOSA-N 1 1 359.470 1.562 50 0 FDAAMO COc1ccc2n[nH]c(C[N@H+]3CCC[C@@]4(CCC(=O)N(CCO)C4)C3)c2c1 ZINC000077469972 523350670 /nfs/dbraw/zinc/35/06/70/523350670.db2.gz LYEGZGHVEZHLDS-HXUWFJFHSA-N 1 1 372.469 1.768 50 0 FDAAMO COCCCNC(=O)C[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000053142242 523355691 /nfs/dbraw/zinc/35/56/91/523355691.db2.gz GTHJHHMRYAQYEI-UHFFFAOYSA-N 1 1 352.460 1.815 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000053391763 523417309 /nfs/dbraw/zinc/41/73/09/523417309.db2.gz KTAOGBOWIIEDBN-HNNXBMFYSA-N 1 1 373.563 1.675 50 0 FDAAMO CCn1ccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)cc1=O ZINC000082096720 523491177 /nfs/dbraw/zinc/49/11/77/523491177.db2.gz OCYQLHGCDZNGML-UHFFFAOYSA-N 1 1 371.485 1.856 50 0 FDAAMO COc1cc2cc(C[N@H+]3CCCC(CO)(CO)C3)c(=O)[nH]c2cc1OC ZINC000067588746 523503964 /nfs/dbraw/zinc/50/39/64/523503964.db2.gz JPZPEAOASGFPRT-UHFFFAOYSA-N 1 1 362.426 1.112 50 0 FDAAMO O=c1[nH]cc(C[N@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c(=O)[nH]1 ZINC000067603732 523511633 /nfs/dbraw/zinc/51/16/33/523511633.db2.gz RBUCGHNJOBCIDN-UHFFFAOYSA-N 1 1 359.336 1.290 50 0 FDAAMO NC(=O)C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000067654127 523534258 /nfs/dbraw/zinc/53/42/58/523534258.db2.gz FAWZSMURVZHHMK-UHFFFAOYSA-N 1 1 361.833 1.911 50 0 FDAAMO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCN(c2cc(N)nc(N)n2)CC1 ZINC000067773014 523578694 /nfs/dbraw/zinc/57/86/94/523578694.db2.gz ULIXSABLPADKLY-UHFFFAOYSA-N 1 1 355.421 1.892 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)c1ccccc1-n1cncn1)CCC[N@H+]2C ZINC000067820848 523596383 /nfs/dbraw/zinc/59/63/83/523596383.db2.gz ZKSANXJZXOTNGF-UHFFFAOYSA-N 1 1 368.485 1.509 50 0 FDAAMO CN1CCCN(C(=O)c2ccccc2-n2cncn2)CC12CC[NH+](C)CC2 ZINC000067820848 523596390 /nfs/dbraw/zinc/59/63/90/523596390.db2.gz ZKSANXJZXOTNGF-UHFFFAOYSA-N 1 1 368.485 1.509 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000078560144 523605971 /nfs/dbraw/zinc/60/59/71/523605971.db2.gz AWNNOAOXBGPQSR-OAHLLOKOSA-N 1 1 355.479 1.616 50 0 FDAAMO CN(C(=O)CC[N@H+](C)[C@H]1CCS(=O)(=O)C1)C1Cc2ccccc2C1 ZINC000067878575 523619517 /nfs/dbraw/zinc/61/95/17/523619517.db2.gz CFVATGZXZXTYSL-INIZCTEOSA-N 1 1 350.484 1.121 50 0 FDAAMO CN(C(=O)CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1)C1Cc2ccccc2C1 ZINC000067878575 523619524 /nfs/dbraw/zinc/61/95/24/523619524.db2.gz CFVATGZXZXTYSL-INIZCTEOSA-N 1 1 350.484 1.121 50 0 FDAAMO CCN1CCN(Cc2cc(C(=O)N(C)C[C@H]3CCCC[N@H+]3C)no2)CC1 ZINC000067967716 523652607 /nfs/dbraw/zinc/65/26/07/523652607.db2.gz DBFIKIALINPINH-MRXNPFEDSA-N 1 1 363.506 1.368 50 0 FDAAMO CCc1oc(C(=O)NCCN2CCC[C@@H](O)C2)cc1C[NH+](CC)CC ZINC000055098994 523746560 /nfs/dbraw/zinc/74/65/60/523746560.db2.gz RREQHGBGDQLRCG-MRXNPFEDSA-N 1 1 351.491 1.870 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C)O1 ZINC000055289707 523789982 /nfs/dbraw/zinc/78/99/82/523789982.db2.gz KJAYBKFTXZYRGL-ZENOOKHLSA-N 1 1 359.467 1.372 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNC(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000055308396 523792868 /nfs/dbraw/zinc/79/28/68/523792868.db2.gz HRWHKUOWXWHKNV-HNNXBMFYSA-N 1 1 365.449 1.420 50 0 FDAAMO Cc1ccc(NC(=O)CC(=O)NCC[N@H+]2CCCC[C@@H]2CO)cc1Cl ZINC000055401046 523806863 /nfs/dbraw/zinc/80/68/63/523806863.db2.gz RIFAFMJOHUEKGJ-OAHLLOKOSA-N 1 1 367.877 1.940 50 0 FDAAMO COCC[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000020534736 523847522 /nfs/dbraw/zinc/84/75/22/523847522.db2.gz MRDAEAVPEFIPEH-LJQANCHMSA-N 1 1 373.497 1.258 50 0 FDAAMO COCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000020534738 523848461 /nfs/dbraw/zinc/84/84/61/523848461.db2.gz MRDAEAVPEFIPEH-IBGZPJMESA-N 1 1 373.497 1.258 50 0 FDAAMO CCc1ccc(-c2cc(C(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)n[nH]2)cc1 ZINC000091621391 523853173 /nfs/dbraw/zinc/85/31/73/523853173.db2.gz JFAWDVQNCIUUBY-IAGOWNOFSA-N 1 1 356.470 1.881 50 0 FDAAMO COc1ccc(CN2CC[NH+](CCn3cncn3)CC2)c(OC)c1OC ZINC000019791506 524031863 /nfs/dbraw/zinc/03/18/63/524031863.db2.gz DEMLECBCZIAINN-UHFFFAOYSA-N 1 1 361.446 1.122 50 0 FDAAMO C[C@@H](C(=O)NCc1ccccc1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089478874 524213300 /nfs/dbraw/zinc/21/33/00/524213300.db2.gz YGJDTYBBIPCVMV-YBVXAUJNSA-N 1 1 370.541 1.934 50 0 FDAAMO COc1ccc(Br)c(C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000085436806 524357284 /nfs/dbraw/zinc/35/72/84/524357284.db2.gz LYCAHGMWCXBROZ-LLVKDONJSA-N 1 1 357.248 1.596 50 0 FDAAMO CC(C)(O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089761723 524525936 /nfs/dbraw/zinc/52/59/36/524525936.db2.gz KKSFOYZHEYPPDQ-ZDUSSCGKSA-N 1 1 351.413 1.365 50 0 FDAAMO CC(C)(O)CNC(=O)[C@H]1CCC[N@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089761724 524526396 /nfs/dbraw/zinc/52/63/96/524526396.db2.gz KKSFOYZHEYPPDQ-CYBMUJFWSA-N 1 1 351.413 1.365 50 0 FDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2nn(C(C)C)c(=O)c3ccccc32)CC1 ZINC000089943496 524558033 /nfs/dbraw/zinc/55/80/33/524558033.db2.gz JPASPIZKWOXZRH-HNNXBMFYSA-N 1 1 372.469 1.506 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ncccc3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091321620 524691326 /nfs/dbraw/zinc/69/13/26/524691326.db2.gz VAVAOTJMIDAIJH-LXTVHRRPSA-N 1 1 351.422 1.010 50 0 FDAAMO CC1(C)CN(S(=O)(=O)c2cccs2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091364569 524693073 /nfs/dbraw/zinc/69/30/73/524693073.db2.gz UPNPJWPWFXLBQR-INIZCTEOSA-N 1 1 374.528 1.232 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C2)ccc1F ZINC000091327075 524693564 /nfs/dbraw/zinc/69/35/64/524693564.db2.gz AWACRZXGJFNZLZ-IAGOWNOFSA-N 1 1 351.466 1.308 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)ccc1F ZINC000091327075 524693575 /nfs/dbraw/zinc/69/35/75/524693575.db2.gz AWACRZXGJFNZLZ-IAGOWNOFSA-N 1 1 351.466 1.308 50 0 FDAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000091410724 524699573 /nfs/dbraw/zinc/69/95/73/524699573.db2.gz NGXGYZAUVCYEHY-KRWDZBQOSA-N 1 1 368.441 1.533 50 0 FDAAMO CC[NH+]1CCN(C[C@@H]2CN(Cc3nc4ccccc4[nH]3)C[C@@H]2CO)CC1 ZINC000091435172 524705005 /nfs/dbraw/zinc/70/50/05/524705005.db2.gz HOOBVBOLYWCNRP-IAGOWNOFSA-N 1 1 357.502 1.241 50 0 FDAAMO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 ZINC000091445192 524706282 /nfs/dbraw/zinc/70/62/82/524706282.db2.gz HARSWLVNDQFYDX-QZTJIDSGSA-N 1 1 361.486 1.093 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2CO)CC1 ZINC000091445192 524706296 /nfs/dbraw/zinc/70/62/96/524706296.db2.gz HARSWLVNDQFYDX-QZTJIDSGSA-N 1 1 361.486 1.093 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(c2ncc(Cl)cc2C(F)(F)F)C[C@@H]1CO ZINC000091486750 524715191 /nfs/dbraw/zinc/71/51/91/524715191.db2.gz MPEUFGRJJPULOI-GHMZBOCLSA-N 1 1 367.799 1.723 50 0 FDAAMO Cc1noc(C)c1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091593043 524733020 /nfs/dbraw/zinc/73/30/20/524733020.db2.gz SIKYGZCCNWWADN-INIZCTEOSA-N 1 1 374.485 1.840 50 0 FDAAMO COc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CC(=O)N(C)C)C3)cc1 ZINC000091604501 524741636 /nfs/dbraw/zinc/74/16/36/524741636.db2.gz UWPZSFNPZVCQGM-GOEBONIOSA-N 1 1 360.458 1.712 50 0 FDAAMO COc1ccc(NC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CC(=O)N(C)C)C3)cc1 ZINC000091604501 524741645 /nfs/dbraw/zinc/74/16/45/524741645.db2.gz UWPZSFNPZVCQGM-GOEBONIOSA-N 1 1 360.458 1.712 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(C)C)n3ncnc3n1)C2 ZINC000091645853 524752065 /nfs/dbraw/zinc/75/20/65/524752065.db2.gz USNWGMYZDMAYGR-HUUCEWRRSA-N 1 1 372.473 1.431 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(OC)c(F)c2)C[C@@H]1CO ZINC000091656931 524754111 /nfs/dbraw/zinc/75/41/11/524754111.db2.gz LMOPEEYVFHDCHR-HUUCEWRRSA-N 1 1 354.422 1.093 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091724466 524766002 /nfs/dbraw/zinc/76/60/02/524766002.db2.gz DLLUSFPGTUXJOJ-DOTOQJQBSA-N 1 1 373.501 1.566 50 0 FDAAMO O=C(c1cnc[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091713580 524767854 /nfs/dbraw/zinc/76/78/54/524767854.db2.gz RMBPVFMOYCMPPV-WMLDXEAASA-N 1 1 364.449 1.474 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc3ccccc3n(C)c1=O)C2 ZINC000091809100 524788309 /nfs/dbraw/zinc/78/83/09/524788309.db2.gz SVXFUNDTZGENMC-FUHWJXTLSA-N 1 1 369.465 1.608 50 0 FDAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)CCC1=O ZINC000091807903 524789231 /nfs/dbraw/zinc/78/92/31/524789231.db2.gz JYPOPEUAQQYIOW-HXUWFJFHSA-N 1 1 359.470 1.637 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2=O)cc1 ZINC000082115948 524959546 /nfs/dbraw/zinc/95/95/46/524959546.db2.gz VZYFGKNBCLLQSU-GOSISDBHSA-N 1 1 359.470 1.670 50 0 FDAAMO CC(C)OC(=O)CC12CN(C)CC(CC(=O)OC(C)C)(C[NH+](C)C1)C2=O ZINC000095344619 525027185 /nfs/dbraw/zinc/02/71/85/525027185.db2.gz NMJLENPWQKRQHH-UHFFFAOYSA-N 1 1 368.474 1.103 50 0 biogenic FDAAMO CS(=O)(=O)CC1(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CC1 ZINC000089484202 525104040 /nfs/dbraw/zinc/10/40/40/525104040.db2.gz NWQHYTGIYBFMMI-UHFFFAOYSA-N 1 1 356.532 1.972 50 0 FDAAMO Cc1cnc(CNC(=O)Nc2ccc(C)c(NC(=O)C[NH+](C)C)c2)cn1 ZINC000096162823 525145130 /nfs/dbraw/zinc/14/51/30/525145130.db2.gz MKRHEYVJCPBTEZ-UHFFFAOYSA-N 1 1 356.430 1.915 50 0 FDAAMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F ZINC000245237815 525589385 /nfs/dbraw/zinc/58/93/85/525589385.db2.gz XOANZKPCNNJQJO-MDZLAQPJSA-N 1 1 360.426 1.649 50 0 FDAAMO C[C@@H](CC(=O)NC1CCN(c2[nH+]ccn2C)CC1)NC(=O)C1CCCC1 ZINC000170614466 525643655 /nfs/dbraw/zinc/64/36/55/525643655.db2.gz OYNOWYPTLSFMMP-AWEZNQCLSA-N 1 1 361.490 1.590 50 0 FDAAMO CCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000155425387 525861215 /nfs/dbraw/zinc/86/12/15/525861215.db2.gz LDEFACIDGNHNHM-YOEHRIQHSA-N 1 1 367.515 1.584 50 0 FDAAMO O=C(N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1)C1(c2ccccc2F)CC1 ZINC000091694688 527449265 /nfs/dbraw/zinc/44/92/65/527449265.db2.gz ZWUJKGVTWKHXIW-HZPDHXFCSA-N 1 1 362.445 1.256 50 0 FDAAMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC(=O)NCc1cccs1 ZINC000089735561 527449256 /nfs/dbraw/zinc/44/92/56/527449256.db2.gz BRBXTMRCBGUCCQ-CQSZACIVSA-N 1 1 361.471 1.743 50 0 FDAAMO OCc1cn(CC2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020119588 527639609 /nfs/dbraw/zinc/63/96/09/527639609.db2.gz LZFKVNXFNRRDQM-FQEVSTJZSA-N 1 1 355.486 1.757 50 0 FDAAMO OCc1cn(CC2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000020119588 527639615 /nfs/dbraw/zinc/63/96/15/527639615.db2.gz LZFKVNXFNRRDQM-FQEVSTJZSA-N 1 1 355.486 1.757 50 0 FDAAMO CN(C)c1ccnc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000095352857 536154622 /nfs/dbraw/zinc/15/46/22/536154622.db2.gz FAZGVHJNAMQNIK-FQEVSTJZSA-N 1 1 372.517 1.456 50 0 FDAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC000072160984 537070399 /nfs/dbraw/zinc/07/03/99/537070399.db2.gz JMTJDIGJSDOLSF-GOSISDBHSA-N 1 1 372.513 1.560 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(CC(=O)NC3CC3)C2)CC1 ZINC000072160984 537070405 /nfs/dbraw/zinc/07/04/05/537070405.db2.gz JMTJDIGJSDOLSF-GOSISDBHSA-N 1 1 372.513 1.560 50 0 FDAAMO OCCN1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257191124 537252877 /nfs/dbraw/zinc/25/28/77/537252877.db2.gz PAOUPFSZYIDJAY-LJQANCHMSA-N 1 1 355.486 1.929 50 0 FDAAMO Cc1nccc(-c2ccccc2)c1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000215459576 537436989 /nfs/dbraw/zinc/43/69/89/537436989.db2.gz YJWLWUOJZDMCSO-KRWDZBQOSA-N 1 1 366.465 1.984 50 0 FDAAMO COCCC[NH+]1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)nn2C)CC1 ZINC000215556599 537440203 /nfs/dbraw/zinc/44/02/03/537440203.db2.gz IJQRLRONWSZYQY-UHFFFAOYSA-N 1 1 374.489 1.232 50 0 FDAAMO CN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1Cc3ccccc3C[N@@H+]1C)CC2 ZINC000216252437 537447187 /nfs/dbraw/zinc/44/71/87/537447187.db2.gz OZXWJHJIPRHWSM-KRWDZBQOSA-N 1 1 367.453 1.053 50 0 FDAAMO CN(C)C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]1Cc3ccccc3C[N@H+]1C)CC2 ZINC000216252437 537447195 /nfs/dbraw/zinc/44/71/95/537447195.db2.gz OZXWJHJIPRHWSM-KRWDZBQOSA-N 1 1 367.453 1.053 50 0 FDAAMO Nc1ncc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c(C(F)(F)F)n1 ZINC000216476889 537450239 /nfs/dbraw/zinc/45/02/39/537450239.db2.gz FABPDJFDEKXHEX-UHFFFAOYSA-N 1 1 359.352 1.014 50 0 FDAAMO Cc1nnc(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000221362572 537499630 /nfs/dbraw/zinc/49/96/30/537499630.db2.gz QSBWLJZIMWHWGV-MRXNPFEDSA-N 1 1 360.483 1.796 50 0 FDAAMO Cc1nnc(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000221362572 537499634 /nfs/dbraw/zinc/49/96/34/537499634.db2.gz QSBWLJZIMWHWGV-MRXNPFEDSA-N 1 1 360.483 1.796 50 0 FDAAMO C[C@H]1CS(=O)(=O)C[C@H]1NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000288461939 537505959 /nfs/dbraw/zinc/50/59/59/537505959.db2.gz DUISDPCUCOUFTJ-MAUKXSAKSA-N 1 1 365.543 1.740 50 0 FDAAMO NC(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)CC[NH+]2CCCC2)CC3)cc1 ZINC000222453727 537508261 /nfs/dbraw/zinc/50/82/61/537508261.db2.gz FYAXNKLINNJMNH-UHFFFAOYSA-N 1 1 367.453 1.546 50 0 FDAAMO CCc1nn(C)c(Cl)c1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230179143 537579957 /nfs/dbraw/zinc/57/99/57/537579957.db2.gz FENBTFILDBXSIE-GOSISDBHSA-N 1 1 367.925 1.764 50 0 FDAAMO CC(C)N(C(=O)C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000239761255 537645757 /nfs/dbraw/zinc/64/57/57/537645757.db2.gz CJIULYLCYCLBTE-FQEVSTJZSA-N 1 1 373.497 1.780 50 0 FDAAMO C[C@@]1(O)CCN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000241338509 537647049 /nfs/dbraw/zinc/64/70/49/537647049.db2.gz MBJNWMVMZGMQFZ-HXUWFJFHSA-N 1 1 372.469 1.962 50 0 FDAAMO COc1ccc(CCC(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)cc1 ZINC000244691869 537649844 /nfs/dbraw/zinc/64/98/44/537649844.db2.gz JKKAFFRRRJWPPI-WOJBJXKFSA-N 1 1 369.465 1.774 50 0 FDAAMO COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)cc1 ZINC000244691869 537649846 /nfs/dbraw/zinc/64/98/46/537649846.db2.gz JKKAFFRRRJWPPI-WOJBJXKFSA-N 1 1 369.465 1.774 50 0 FDAAMO CN(Cc1ccccc1)C(=O)CC[N@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000244742116 537652529 /nfs/dbraw/zinc/65/25/29/537652529.db2.gz OCDDULJQTYPQAE-QGZVFWFLSA-N 1 1 371.485 1.536 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](CCCOc2ccc(C(N)=O)cc2)C1 ZINC000244866692 537653959 /nfs/dbraw/zinc/65/39/59/537653959.db2.gz WAULQNXROBTWLD-HNNXBMFYSA-N 1 1 373.457 1.055 50 0 FDAAMO Nc1cc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)cc2)ncn1 ZINC000426674017 538120876 /nfs/dbraw/zinc/12/08/76/538120876.db2.gz IQJSNVPOXQOLGT-INIZCTEOSA-N 1 1 355.442 1.302 50 0 FDAAMO O=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000584888777 551565527 /nfs/dbraw/zinc/56/55/27/551565527.db2.gz DIVWGKDBJCSPMO-HNNXBMFYSA-N 1 1 359.474 1.375 50 0 FDAAMO CCCn1ncnc1-c1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2OCC)cc1 ZINC000584902895 551567705 /nfs/dbraw/zinc/56/77/05/551567705.db2.gz NJDLKNPIIWSWFA-IRXDYDNUSA-N 1 1 357.458 1.804 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000215054161 568046880 /nfs/dbraw/zinc/04/68/80/568046880.db2.gz WGRYCFLUNXPFAC-NSHDSACASA-N 1 1 352.870 1.636 50 0 FDAAMO Nc1nc(CCNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cs1 ZINC000222552979 568538752 /nfs/dbraw/zinc/53/87/52/568538752.db2.gz FUJOIUUANBLQRI-INIZCTEOSA-N 1 1 360.483 1.675 50 0 FDAAMO Nc1nc(CCNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cs1 ZINC000222552979 568538753 /nfs/dbraw/zinc/53/87/53/568538753.db2.gz FUJOIUUANBLQRI-INIZCTEOSA-N 1 1 360.483 1.675 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000426503249 570613244 /nfs/dbraw/zinc/61/32/44/570613244.db2.gz IYQQLRLRNZBOEW-INIZCTEOSA-N 1 1 364.465 1.626 50 0 FDAAMO C[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@H](C)[NH2+]1 ZINC000109067126 570911618 /nfs/dbraw/zinc/91/16/18/570911618.db2.gz JPZUOMMHMLYUDK-UWVGGRQHSA-N 1 1 366.892 1.114 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000670472899 571055148 /nfs/dbraw/zinc/05/51/48/571055148.db2.gz IZXYNWFCTVRSJZ-OAHLLOKOSA-N 1 1 370.515 1.801 50 0 FDAAMO COc1ccc(C(C)C)cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000670472899 571055153 /nfs/dbraw/zinc/05/51/53/571055153.db2.gz IZXYNWFCTVRSJZ-OAHLLOKOSA-N 1 1 370.515 1.801 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc3[nH]cnc3c2)C1 ZINC000670473464 571055193 /nfs/dbraw/zinc/05/51/93/571055193.db2.gz XAQBAESWRLNLOK-CYBMUJFWSA-N 1 1 352.460 1.200 50 0 FDAAMO CNC(=O)c1cccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000371100954 571075323 /nfs/dbraw/zinc/07/53/23/571075323.db2.gz RCUUFLXJNRITKH-SFHVURJKSA-N 1 1 374.485 1.443 50 0 FDAAMO COCc1nnc(NC(=O)CN2CCC(Cn3cc[nH+]c3C)CC2)s1 ZINC000244795848 571117446 /nfs/dbraw/zinc/11/74/46/571117446.db2.gz ROOZNJLXNWKKSG-UHFFFAOYSA-N 1 1 364.475 1.540 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000252489609 571132955 /nfs/dbraw/zinc/13/29/55/571132955.db2.gz JUSCYEZYNHVJFB-NRFANRHFSA-N 1 1 355.482 1.954 50 0 FDAAMO COc1ccc([C@@H](NC(=O)CCC[NH+]2CCOCC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000252537029 571134361 /nfs/dbraw/zinc/13/43/61/571134361.db2.gz KERBLEHTDQRSEG-JTDSTZFVSA-N 1 1 363.458 1.131 50 0 FDAAMO Cn1c(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)nc2cccc(F)c21 ZINC000328596991 571135074 /nfs/dbraw/zinc/13/50/74/571135074.db2.gz CGBKICXXQSRJMA-INIZCTEOSA-N 1 1 354.429 2.544 50 0 FDAAMO COc1ccccc1CCNC(=O)C[N@@H+]1CCc2nc(C)[nH]c(=O)c2CC1 ZINC000253536036 571137196 /nfs/dbraw/zinc/13/71/96/571137196.db2.gz DXRFBFFICQXJEO-UHFFFAOYSA-N 1 1 370.453 1.259 50 0 FDAAMO COc1ccccc1CCNC(=O)C[N@H+]1CCc2nc(C)[nH]c(=O)c2CC1 ZINC000253536036 571137198 /nfs/dbraw/zinc/13/71/98/571137198.db2.gz DXRFBFFICQXJEO-UHFFFAOYSA-N 1 1 370.453 1.259 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000150845385 571160176 /nfs/dbraw/zinc/16/01/76/571160176.db2.gz JHFCKZWMNXRHBR-LLVKDONJSA-N 1 1 350.843 1.726 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000150848524 571160334 /nfs/dbraw/zinc/16/03/34/571160334.db2.gz ARBOURIQCVZJII-GFCCVEGCSA-N 1 1 366.405 1.952 50 0 FDAAMO OC1CN(c2nc(N3CC(c4nccs4)C3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299755194 571191898 /nfs/dbraw/zinc/19/18/98/571191898.db2.gz BAUFWPJDQRRNQW-NSHDSACASA-N 1 1 359.455 1.222 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3s2)[C@H](O)C1 ZINC000299758656 571192861 /nfs/dbraw/zinc/19/28/61/571192861.db2.gz LPXYMFZEVHQGOI-ZIAGYGMSSA-N 1 1 361.467 1.155 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3s2)[C@H](O)C1 ZINC000299758656 571192862 /nfs/dbraw/zinc/19/28/62/571192862.db2.gz LPXYMFZEVHQGOI-ZIAGYGMSSA-N 1 1 361.467 1.155 50 0 FDAAMO Cc1cc(=O)cc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)n1C ZINC000299764304 571194364 /nfs/dbraw/zinc/19/43/64/571194364.db2.gz UBRHZEKPKYGJIW-UHFFFAOYSA-N 1 1 355.438 1.794 50 0 FDAAMO CN(c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1)C1Cc2ccccc2C1 ZINC000299771227 571195954 /nfs/dbraw/zinc/19/59/54/571195954.db2.gz URBYCZLLPCXGEB-INIZCTEOSA-N 1 1 354.454 1.988 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000299778002 571196959 /nfs/dbraw/zinc/19/69/59/571196959.db2.gz LPDUFEHKJNBMCV-INIZCTEOSA-N 1 1 371.481 1.858 50 0 FDAAMO CCCNC(=O)c1ccc(C)c(NC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2OCC)c1 ZINC000299778883 571197213 /nfs/dbraw/zinc/19/72/13/571197213.db2.gz IKNXJKODALTDTN-IRXDYDNUSA-N 1 1 362.474 1.975 50 0 FDAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000299787896 571199717 /nfs/dbraw/zinc/19/97/17/571199717.db2.gz SWVYSBLPPUVGCW-SFHVURJKSA-N 1 1 360.502 1.062 50 0 FDAAMO CN(CCC(=O)N1CCN(Cc2cccc(O)c2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000299787896 571199719 /nfs/dbraw/zinc/19/97/19/571199719.db2.gz SWVYSBLPPUVGCW-SFHVURJKSA-N 1 1 360.502 1.062 50 0 FDAAMO CN(CCC(=O)N1CCN(Cc2cccc(O)c2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000299787896 571199721 /nfs/dbraw/zinc/19/97/21/571199721.db2.gz SWVYSBLPPUVGCW-SFHVURJKSA-N 1 1 360.502 1.062 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000299789531 571200349 /nfs/dbraw/zinc/20/03/49/571200349.db2.gz WTBYHGFZVLUGDH-UHFFFAOYSA-N 1 1 368.434 1.613 50 0 FDAAMO O=C(CCN1CCCCCC1=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299789616 571200494 /nfs/dbraw/zinc/20/04/94/571200494.db2.gz YSOHOLCFKSTOCU-SFHVURJKSA-N 1 1 358.486 1.955 50 0 FDAAMO O=C(CCN1CCCCCC1=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299789616 571200495 /nfs/dbraw/zinc/20/04/95/571200495.db2.gz YSOHOLCFKSTOCU-SFHVURJKSA-N 1 1 358.486 1.955 50 0 FDAAMO C[N@H+](CC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12)Cc1ccc(F)cc1 ZINC000299799464 571203058 /nfs/dbraw/zinc/20/30/58/571203058.db2.gz RWRFFRHCXDICHM-IRXDYDNUSA-N 1 1 359.405 1.221 50 0 FDAAMO C[N@@H+](CC(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12)Cc1ccc(F)cc1 ZINC000299799464 571203059 /nfs/dbraw/zinc/20/30/59/571203059.db2.gz RWRFFRHCXDICHM-IRXDYDNUSA-N 1 1 359.405 1.221 50 0 FDAAMO Cc1nc(C)c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)o1 ZINC000299801831 571203331 /nfs/dbraw/zinc/20/33/31/571203331.db2.gz ZPFRIMIXEUGNBA-IPFXWSOASA-N 1 1 366.465 1.589 50 0 FDAAMO O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CC[NH+](CCO)CC1 ZINC000426382602 571217323 /nfs/dbraw/zinc/21/73/23/571217323.db2.gz DMKDIVAUXLWGHH-GOSISDBHSA-N 1 1 358.417 1.630 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ncccc3F)c2)C1 ZINC000426398969 571219734 /nfs/dbraw/zinc/21/97/34/571219734.db2.gz DBZJEWODYCFVON-MRXNPFEDSA-N 1 1 370.428 1.815 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cn1 ZINC000426429828 571224656 /nfs/dbraw/zinc/22/46/56/571224656.db2.gz PFHVVBVAKXDORB-KRWDZBQOSA-N 1 1 373.505 1.243 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccc(Cn2cncn2)c1 ZINC000426684590 571234994 /nfs/dbraw/zinc/23/49/94/571234994.db2.gz XRANSUPPBXWYDG-IRXDYDNUSA-N 1 1 358.446 1.556 50 0 FDAAMO C[C@H]1CN(C(=O)c2ccc3nnc(C(F)F)n3c2)CC[N@H+]1CC(C)(C)O ZINC000170086766 571262082 /nfs/dbraw/zinc/26/20/82/571262082.db2.gz XLXQOYIZNGYAIS-NSHDSACASA-N 1 1 367.400 1.584 50 0 FDAAMO CN1CCO[C@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000253393505 571311931 /nfs/dbraw/zinc/31/19/31/571311931.db2.gz DTPKRNVVLQBLKC-MRVPVSSYSA-N 1 1 353.229 1.168 50 0 FDAAMO C[N@@H+]1CCO[C@H](CNCc2ncc(I)s2)C1 ZINC000253393505 571311933 /nfs/dbraw/zinc/31/19/33/571311933.db2.gz DTPKRNVVLQBLKC-MRVPVSSYSA-N 1 1 353.229 1.168 50 0 FDAAMO C[N@H+]1CCO[C@H](CNCc2ncc(I)s2)C1 ZINC000253393505 571311935 /nfs/dbraw/zinc/31/19/35/571311935.db2.gz DTPKRNVVLQBLKC-MRVPVSSYSA-N 1 1 353.229 1.168 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1OCCN1CCOCC1 ZINC000670453876 571353310 /nfs/dbraw/zinc/35/33/10/571353310.db2.gz KBQXUGKQNOQKSP-GOSISDBHSA-N 1 1 364.486 1.753 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1 ZINC000670453923 571353396 /nfs/dbraw/zinc/35/33/96/571353396.db2.gz FWHUQRMETYZECU-GFCCVEGCSA-N 1 1 364.870 1.867 50 0 FDAAMO CSCCC[N@H+]1CC[C@@H](N2CCN(c3ccccn3)CC2)[C@H](O)C1 ZINC000011839170 670608100 /nfs/dbraw/zinc/60/81/00/670608100.db2.gz ZQUHQPDEKKNHHM-IAGOWNOFSA-N 1 1 350.532 1.392 50 0 FDAAMO CC[N@H+]1CC[C@@]2(CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)C2)C1 ZINC000012444951 670613178 /nfs/dbraw/zinc/61/31/78/670613178.db2.gz GKBOAXWKPCMCCO-GOSISDBHSA-N 1 1 368.547 1.860 50 0 FDAAMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@H]2C1 ZINC000285238613 675808601 /nfs/dbraw/zinc/80/86/01/675808601.db2.gz XSGXISWOJFGVKQ-UONOGXRCSA-N 1 1 353.469 1.390 50 0 FDAAMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@H]2C1 ZINC000285238613 675808605 /nfs/dbraw/zinc/80/86/05/675808605.db2.gz XSGXISWOJFGVKQ-UONOGXRCSA-N 1 1 353.469 1.390 50 0 FDAAMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccccc3S(C)(=O)=O)CC[C@H]21 ZINC000334123304 676782560 /nfs/dbraw/zinc/78/25/60/676782560.db2.gz NDNQKHHXBDOQLH-JKSUJKDBSA-N 1 1 365.499 1.716 50 0 FDAAMO Cc1cc2c(cc1C[N@H+]1CCc3nc(C)n(C)c(=O)c3CC1)OCCO2 ZINC000065370567 769974377 /nfs/dbraw/zinc/97/43/77/769974377.db2.gz IVTACFVHINQNTN-UHFFFAOYSA-N 1 1 355.438 1.769 50 0 FDAAMO CC[C@@H]1CN(C(=O)CCc2nc(-c3ccccn3)no2)CC[N@H+]1CCOC ZINC000117299457 774771074 /nfs/dbraw/zinc/77/10/74/774771074.db2.gz UGZOGSNPANDCHM-OAHLLOKOSA-N 1 1 373.457 1.633 50 0 FDAAMO Cn1nc2n(c1=O)CC[C@@H]([N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1)CC2 ZINC000257188239 793968880 /nfs/dbraw/zinc/96/88/80/793968880.db2.gz DTBVIOWLPGCNOD-INIZCTEOSA-N 1 1 370.432 1.948 50 0 FDAAMO COCCNC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(C)=O)[C@@H]23 ZINC000257195266 794049346 /nfs/dbraw/zinc/04/93/46/794049346.db2.gz VSHNCOFEHRHVQH-XFKSJGNHSA-N 1 1 365.518 1.641 50 0 FDAAMO CCOc1ccccc1NC(=O)[C@@H]1Cc2nc[nH]c2C2(CCOCC2)N1 ZINC000675013250 795216837 /nfs/dbraw/zinc/21/68/37/795216837.db2.gz BECJPRJWRNYULD-HNNXBMFYSA-N 1 1 356.426 1.967 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000257175750 864396594 /nfs/dbraw/zinc/39/65/94/864396594.db2.gz QRGUUCXGCGJBDI-AEFFLSMTSA-N 1 1 359.470 1.089 50 0 FDAAMO CCc1cc(=O)[nH]c(-c2ccc(NCC[N@@H+]3CCOCC3(C)C)nc2)n1 ZINC000171945756 865406497 /nfs/dbraw/zinc/40/64/97/865406497.db2.gz GTZDMSWNXIQMER-UHFFFAOYSA-N 1 1 357.458 1.917 50 0 FDAAMO CCc1cc(=O)[nH]c(-c2ccc(NCC[N@H+]3CCOCC3(C)C)nc2)n1 ZINC000171945756 865406505 /nfs/dbraw/zinc/40/65/05/865406505.db2.gz GTZDMSWNXIQMER-UHFFFAOYSA-N 1 1 357.458 1.917 50 0 FDAAMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000818971084 917939389 /nfs/dbraw/zinc/93/93/89/917939389.db2.gz LMBMFWJIWLMGNN-MRXNPFEDSA-N 1 1 367.515 1.720 50 0 FDAAMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000818971084 917939396 /nfs/dbraw/zinc/93/93/96/917939396.db2.gz LMBMFWJIWLMGNN-MRXNPFEDSA-N 1 1 367.515 1.720 50 0 FDAAMO CC(C)CN1C[C@H](C(=O)Nc2cccc(NC(=O)C[NH+](C)C)c2)CC1=O ZINC000821236100 919591084 /nfs/dbraw/zinc/59/10/84/919591084.db2.gz LEIUSCXOXSJAGV-CQSZACIVSA-N 1 1 360.458 1.630 50 0 FDAAMO O=C(CCCN1CCCC1=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000827939548 924791808 /nfs/dbraw/zinc/79/18/08/924791808.db2.gz IQESEKSXSIRICH-KRWDZBQOSA-N 1 1 351.491 1.492 50 0 FDAAMO C[N@H+]1CCn2c(nnc2[C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)C1 ZINC000581792556 927591499 /nfs/dbraw/zinc/59/14/99/927591499.db2.gz LZYYHHFFVJIEOG-AWEZNQCLSA-N 1 1 373.432 1.648 50 0 FDAAMO CCCN1CCC([NH+]2CCC3(C[C@H]4C(=O)N(CC)C(=O)N4C3)CC2)CC1 ZINC000581803631 927599823 /nfs/dbraw/zinc/59/98/23/927599823.db2.gz OTFUASOEJGOBOH-KRWDZBQOSA-N 1 1 362.518 1.999 50 0 FDAAMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(F)c(OC)cc1OC ZINC000585084759 943912064 /nfs/dbraw/zinc/91/20/64/943912064.db2.gz WRSLLDMGNYFKGU-GFCCVEGCSA-N 1 1 360.451 1.948 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000952869450 960211203 /nfs/dbraw/zinc/21/12/03/960211203.db2.gz KIYTZPZYJLSAOK-GOSISDBHSA-N 1 1 358.486 1.096 50 0 FDAAMO Nc1cc(=O)[nH]c(CCNC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)n1 ZINC000952873080 960220778 /nfs/dbraw/zinc/22/07/78/960220778.db2.gz UGVRLCDGYODTTQ-SFHVURJKSA-N 1 1 373.432 1.789 50 0 FDAAMO Cc1cc(N2CCN(C(=O)[C@@H]3C=CC[NH2+]3)CC2)nc(-c2ccccc2O)n1 ZINC000952963962 960246339 /nfs/dbraw/zinc/24/63/39/960246339.db2.gz LTDYDRBGEQDXJG-INIZCTEOSA-N 1 1 365.437 1.334 50 0 FDAAMO Nc1cc[nH+]c(N2CCC(CNC(=O)c3cccc4nccnc43)CC2)n1 ZINC000952976315 960272016 /nfs/dbraw/zinc/27/20/16/960272016.db2.gz IHBQAJRVGPOVGC-UHFFFAOYSA-N 1 1 363.425 1.648 50 0 FDAAMO CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952968329 960284208 /nfs/dbraw/zinc/28/42/08/960284208.db2.gz LLOQYDQBBASUNO-ZDUSSCGKSA-N 1 1 367.877 1.942 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1nnc2n1CCC2 ZINC000266552129 210007490 /nfs/dbraw/zinc/00/74/90/210007490.db2.gz IHUUFVCJMLADHU-INIZCTEOSA-N 1 1 355.442 1.132 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1nnc2n1CCC2 ZINC000266552129 210007493 /nfs/dbraw/zinc/00/74/93/210007493.db2.gz IHUUFVCJMLADHU-INIZCTEOSA-N 1 1 355.442 1.132 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)c3[nH]nc4c3COCC4)cc2C1 ZINC000244787802 209907393 /nfs/dbraw/zinc/90/73/93/209907393.db2.gz QDXRNBOIBQHQFG-UHFFFAOYSA-N 1 1 358.446 1.081 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CC[C@]2(OC)CC[C@@H](NC(C)=O)C[C@H]12 ZINC000534634828 540392665 /nfs/dbraw/zinc/39/26/65/540392665.db2.gz NOXKQQQMNQKDHT-JTDSTZFVSA-N 1 1 362.474 1.510 50 0 FDAAMO CC[C@H]1C=CCN1C(=O)c1cccc(-c2cc(NCCO)nc(N)[nH+]2)c1 ZINC000534638674 540392915 /nfs/dbraw/zinc/39/29/15/540392915.db2.gz HRTQCLNLFLGDHR-HNNXBMFYSA-N 1 1 353.426 1.343 50 0 FDAAMO COC[C@@H]1CCN(c2ncnc3c2CC[N@@H+](Cc2cncn2C)CC3)C1 ZINC000107005377 209275736 /nfs/dbraw/zinc/27/57/36/209275736.db2.gz VYEYPNNMQSOHKH-OAHLLOKOSA-N 1 1 356.474 1.284 50 0 FDAAMO Cc1nnnn1CCC[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000106994649 209273746 /nfs/dbraw/zinc/27/37/46/209273746.db2.gz QYSSTSFXKUDMCV-SFHVURJKSA-N 1 1 362.453 1.080 50 0 FDAAMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000106136276 209272430 /nfs/dbraw/zinc/27/24/30/209272430.db2.gz UZYOWZQLPAQIFU-KGLIPLIRSA-N 1 1 360.433 1.772 50 0 FDAAMO Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000097681750 209192754 /nfs/dbraw/zinc/19/27/54/209192754.db2.gz NOTIJHGYVNFERT-MRXNPFEDSA-N 1 1 353.488 1.264 50 0 FDAAMO COc1ccccc1CNC(=O)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097532804 209184762 /nfs/dbraw/zinc/18/47/62/209184762.db2.gz YOMCRFACVDFHIA-MRXNPFEDSA-N 1 1 366.483 1.211 50 0 FDAAMO O=C(CCCc1nc(-c2cccs2)no1)N1CC[NH+](CCO)CC1 ZINC000097293634 209177509 /nfs/dbraw/zinc/17/75/09/209177509.db2.gz KIEOMPWWWOXJLT-UHFFFAOYSA-N 1 1 350.444 1.257 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000097087898 209170336 /nfs/dbraw/zinc/17/03/36/209170336.db2.gz IYEHFGAKPKPCKX-INIZCTEOSA-N 1 1 352.442 1.873 50 0 FDAAMO CC1=[NH+]N(CCCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000004316629 207011901 /nfs/dbraw/zinc/01/19/01/207011901.db2.gz MSUBPDBOYVGMTM-UHFFFAOYSA-N 1 1 366.425 1.262 50 0 FDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000004602016 207031917 /nfs/dbraw/zinc/03/19/17/207031917.db2.gz JTPNWXRXAJZUIW-UHFFFAOYSA-N 1 1 365.499 1.322 50 0 FDAAMO COc1ccccc1[C@@H]1[NH+]=C(N2CCOCC2)Nc2nc(C)cc(=O)n21 ZINC000008992130 207253621 /nfs/dbraw/zinc/25/36/21/207253621.db2.gz FOHPXMCZAXIYSQ-MRXNPFEDSA-N 1 1 355.398 1.221 50 0 FDAAMO CC(C)/C=C/C[N@@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 ZINC000011881369 207327354 /nfs/dbraw/zinc/32/73/54/207327354.db2.gz ATXPIDOTKXYXNK-SNAWJCMRSA-N 1 1 368.485 1.716 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc2nsnc2c1 ZINC000012297167 207353160 /nfs/dbraw/zinc/35/31/60/207353160.db2.gz AYRIWDKPRDVMPV-OAHLLOKOSA-N 1 1 361.471 1.249 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc2nsnc2c1 ZINC000012297167 207353165 /nfs/dbraw/zinc/35/31/65/207353165.db2.gz AYRIWDKPRDVMPV-OAHLLOKOSA-N 1 1 361.471 1.249 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCCO1 ZINC000012471568 207380713 /nfs/dbraw/zinc/38/07/13/207380713.db2.gz QQXPCQOKAXQUOD-GOSISDBHSA-N 1 1 353.422 1.694 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCCO1 ZINC000012471568 207380719 /nfs/dbraw/zinc/38/07/19/207380719.db2.gz QQXPCQOKAXQUOD-GOSISDBHSA-N 1 1 353.422 1.694 50 0 FDAAMO Cc1cc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)no1 ZINC000012571264 207395144 /nfs/dbraw/zinc/39/51/44/207395144.db2.gz FLGLDMIZZVNTSB-GOSISDBHSA-N 1 1 365.380 1.905 50 0 FDAAMO COCCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c1=O ZINC000020604607 207746268 /nfs/dbraw/zinc/74/62/68/207746268.db2.gz PZQUBCWGAJWEDL-HXUWFJFHSA-N 1 1 371.481 1.846 50 0 FDAAMO CCCC[N@@H+](CC)CCCNC(=O)C1=NS(=O)(=O)c2ccccc2N1 ZINC000033265403 208079207 /nfs/dbraw/zinc/07/92/07/208079207.db2.gz PXOHZRWMINMCPS-UHFFFAOYSA-N 1 1 366.487 1.828 50 0 FDAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000034667315 208105834 /nfs/dbraw/zinc/10/58/34/208105834.db2.gz XYAYLMJHZOGIFE-RBUKOAKNSA-N 1 1 364.486 1.493 50 0 FDAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000034667315 208105841 /nfs/dbraw/zinc/10/58/41/208105841.db2.gz XYAYLMJHZOGIFE-RBUKOAKNSA-N 1 1 364.486 1.493 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@H](C)O1 ZINC000042697329 208296625 /nfs/dbraw/zinc/29/66/25/208296625.db2.gz DTKYHDPAXXOXOH-GASCZTMLSA-N 1 1 357.458 1.885 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cccn3)nc2)C[C@H](C)O1 ZINC000042697329 208296628 /nfs/dbraw/zinc/29/66/28/208296628.db2.gz DTKYHDPAXXOXOH-GASCZTMLSA-N 1 1 357.458 1.885 50 0 FDAAMO O=C(Cc1ccccc1Cl)NC[C@@H]([C@H]1CCOC1)[NH+]1CCOCC1 ZINC000047635397 208382211 /nfs/dbraw/zinc/38/22/11/208382211.db2.gz QCOPNVDAJBFEDJ-RDJZCZTQSA-N 1 1 352.862 1.736 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccccc2F)cc(N(C)C)[nH+]1 ZINC000065365090 208666695 /nfs/dbraw/zinc/66/66/95/208666695.db2.gz WFFSHEVVZIUXBF-UHFFFAOYSA-N 1 1 353.423 1.381 50 0 FDAAMO CCCn1ncc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c1C ZINC000091848333 209000222 /nfs/dbraw/zinc/00/02/22/209000222.db2.gz OZMAYNDVSBKIPX-UHFFFAOYSA-N 1 1 356.474 1.944 50 0 FDAAMO O=C(Cn1cnc2ccccc2c1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000091914620 209003263 /nfs/dbraw/zinc/00/32/63/209003263.db2.gz WWVKRUPPNXUWCH-INIZCTEOSA-N 1 1 370.453 1.110 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)NCC3CCCCC3)C[C@@H]2CO)CC1 ZINC000091933507 209005252 /nfs/dbraw/zinc/00/52/52/209005252.db2.gz CYWLKQFRBKCTHC-QZTJIDSGSA-N 1 1 352.523 1.064 50 0 FDAAMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCC(F)F)C[C@@H](C)O1 ZINC000095962847 209092071 /nfs/dbraw/zinc/09/20/71/209092071.db2.gz SKOBHDUIYXYVCK-VXGBXAGGSA-N 1 1 355.385 1.616 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc(C(C)C)on2)C1 ZINC000091966292 209007361 /nfs/dbraw/zinc/00/73/61/209007361.db2.gz UIPJCQYYTUJSIW-CABCVRRESA-N 1 1 353.463 1.447 50 0 FDAAMO CC(C)Oc1ccc(Cl)cc1CNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091951846 209007620 /nfs/dbraw/zinc/00/76/20/209007620.db2.gz UQQNOFVBKSHAOH-CYBMUJFWSA-N 1 1 367.877 1.941 50 0 FDAAMO COCCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091987273 209009696 /nfs/dbraw/zinc/00/96/96/209009696.db2.gz NVSXWPYQKDRMBI-FUHWJXTLSA-N 1 1 350.434 1.912 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)C[N@@H+]1CCc1ccccc1 ZINC000092065597 209014210 /nfs/dbraw/zinc/01/42/10/209014210.db2.gz XBDUOBZMZOHTIX-MJGOQNOKSA-N 1 1 368.481 1.875 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc[nH]c2C)C[N@H+]1CCc1ccccc1 ZINC000092065597 209014214 /nfs/dbraw/zinc/01/42/14/209014214.db2.gz XBDUOBZMZOHTIX-MJGOQNOKSA-N 1 1 368.481 1.875 50 0 FDAAMO O=C(CN1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000092019504 209011199 /nfs/dbraw/zinc/01/11/99/209011199.db2.gz SSJTWGNJHHIYDI-FXAWDEMLSA-N 1 1 369.509 1.409 50 0 FDAAMO Cc1cc(F)ccc1C[N@@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000092077486 209016503 /nfs/dbraw/zinc/01/65/03/209016503.db2.gz MJWUZYLPKFFZII-UHFFFAOYSA-N 1 1 366.462 1.786 50 0 FDAAMO Cc1cc(F)ccc1C[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000092077486 209016506 /nfs/dbraw/zinc/01/65/06/209016506.db2.gz MJWUZYLPKFFZII-UHFFFAOYSA-N 1 1 366.462 1.786 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cc(=O)c(OC)co3)C2)C1=O ZINC000092096854 209016892 /nfs/dbraw/zinc/01/68/92/209016892.db2.gz YRNPCERTWXIZDM-SFHVURJKSA-N 1 1 350.415 1.109 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)c3cc(=O)[nH]c4ccccc43)CC2)CC1 ZINC000092081543 209017060 /nfs/dbraw/zinc/01/70/60/209017060.db2.gz GWJDGHQQPMSDIQ-UHFFFAOYSA-N 1 1 354.454 1.286 50 0 FDAAMO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)o1 ZINC000095354527 209024142 /nfs/dbraw/zinc/02/41/42/209024142.db2.gz IOGQNTNQJLGBLP-HUUCEWRRSA-N 1 1 355.504 1.935 50 0 FDAAMO CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)o1 ZINC000095354527 209024143 /nfs/dbraw/zinc/02/41/43/209024143.db2.gz IOGQNTNQJLGBLP-HUUCEWRRSA-N 1 1 355.504 1.935 50 0 FDAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1NS(=O)(=O)N(C)C ZINC000095359607 209028013 /nfs/dbraw/zinc/02/80/13/209028013.db2.gz BVYGKESDEDZYFD-LSDHHAIUSA-N 1 1 369.487 1.268 50 0 FDAAMO O=C1N(CCO)CCC[C@@]12CC[N@@H+](Cc1nnc(-c3cccc(F)c3)o1)C2 ZINC000092062019 209014980 /nfs/dbraw/zinc/01/49/80/209014980.db2.gz CPYDZKAOVLKQHU-IBGZPJMESA-N 1 1 374.416 1.683 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]2CO)C[C@H](C)O1 ZINC000095386819 209044374 /nfs/dbraw/zinc/04/43/74/209044374.db2.gz UGYGDTVOCYIZNQ-WTLGNFPFSA-N 1 1 374.481 1.411 50 0 FDAAMO Cc1ccc(C)c(CC(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000095364340 209031600 /nfs/dbraw/zinc/03/16/00/209031600.db2.gz GREVENYTOGFJBK-WOJBJXKFSA-N 1 1 359.514 1.160 50 0 FDAAMO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000095368492 209032189 /nfs/dbraw/zinc/03/21/89/209032189.db2.gz BSTQVCZGKDPBFR-QGZVFWFLSA-N 1 1 370.497 1.805 50 0 FDAAMO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000095368492 209032192 /nfs/dbraw/zinc/03/21/92/209032192.db2.gz BSTQVCZGKDPBFR-QGZVFWFLSA-N 1 1 370.497 1.805 50 0 FDAAMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cccc(C(=O)NC4CCC4)c3)C[C@H]21 ZINC000095368964 209033393 /nfs/dbraw/zinc/03/33/93/209033393.db2.gz BHDBLJKVODIZSS-WMLDXEAASA-N 1 1 363.483 1.294 50 0 FDAAMO Cn1c(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc2ccccc21 ZINC000095371670 209034218 /nfs/dbraw/zinc/03/42/18/209034218.db2.gz VERNLRCOXCYPGA-RTBURBONSA-N 1 1 356.514 1.466 50 0 FDAAMO Cn1c(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)cc2ccccc21 ZINC000095371670 209034221 /nfs/dbraw/zinc/03/42/21/209034221.db2.gz VERNLRCOXCYPGA-RTBURBONSA-N 1 1 356.514 1.466 50 0 FDAAMO COc1cc(C)ccc1OCCN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000095373236 209035569 /nfs/dbraw/zinc/03/55/69/209035569.db2.gz JPJZKFWZZFTKSO-FQEVSTJZSA-N 1 1 361.486 1.669 50 0 FDAAMO Cc1nccn1CC(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095379045 209039554 /nfs/dbraw/zinc/03/95/54/209039554.db2.gz WCSURIHNWOQTNY-HXUWFJFHSA-N 1 1 373.501 1.127 50 0 FDAAMO Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000095391575 209048072 /nfs/dbraw/zinc/04/80/72/209048072.db2.gz HEHAZUVQKRPNSD-LJQANCHMSA-N 1 1 361.490 1.114 50 0 FDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 ZINC000095430230 209049570 /nfs/dbraw/zinc/04/95/70/209049570.db2.gz KUQFCOYDXHYSAR-WBVHZDCISA-N 1 1 350.459 1.515 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095472320 209057272 /nfs/dbraw/zinc/05/72/72/209057272.db2.gz YBMRNPZQBDXJTJ-KGLIPLIRSA-N 1 1 355.442 1.516 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(CCOC)c(=O)c2ccccc12 ZINC000095476218 209058981 /nfs/dbraw/zinc/05/89/81/209058981.db2.gz JEPGSZAOXZGCJK-OAHLLOKOSA-N 1 1 357.454 1.862 50 0 FDAAMO CC(=O)N[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1c1ccc(C)cc1 ZINC000095505471 209065759 /nfs/dbraw/zinc/06/57/59/209065759.db2.gz UMJONFYKZPQCNL-ACZWYYKOSA-N 1 1 373.497 1.535 50 0 FDAAMO CC(=O)N[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1c1ccc(C)cc1 ZINC000095505471 209065762 /nfs/dbraw/zinc/06/57/62/209065762.db2.gz UMJONFYKZPQCNL-ACZWYYKOSA-N 1 1 373.497 1.535 50 0 FDAAMO O=C(CN1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095509481 209067479 /nfs/dbraw/zinc/06/74/79/209067479.db2.gz ITJOKXSYEJHTAP-LEWJYISDSA-N 1 1 371.525 1.874 50 0 FDAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH+](C)C)cc2OC)CC1 ZINC000095512824 209069760 /nfs/dbraw/zinc/06/97/60/209069760.db2.gz UCRWOUYJDHWYBS-KRWDZBQOSA-N 1 1 351.491 1.134 50 0 FDAAMO CNc1nc(N2CCC(Cc3nnc(CO)n3C)CC2)[nH+]c2c1CCC2 ZINC000082133436 132196737 /nfs/dbraw/zinc/19/67/37/132196737.db2.gz AULSBWSMQZYYRS-UHFFFAOYSA-N 1 1 357.462 1.087 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)CC2)c1 ZINC000089672726 132199843 /nfs/dbraw/zinc/19/98/43/132199843.db2.gz WTRBQKFCDCCJFG-AZUAARDMSA-N 1 1 356.514 1.812 50 0 FDAAMO C[N@H+]1CCN(c2ncnc3[nH]ccc32)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091288909 132200737 /nfs/dbraw/zinc/20/07/37/132200737.db2.gz SZBNGNCCMRLSOU-FQEVSTJZSA-N 1 1 368.485 1.871 50 0 FDAAMO CNc1c(Cl)ncnc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000095945036 132216135 /nfs/dbraw/zinc/21/61/35/132216135.db2.gz JXZJIKRLLTUAJS-UHFFFAOYSA-N 1 1 362.869 1.586 50 0 FDAAMO Cc1ccc(N2CCc3[nH+]c(N(C)C)nc(N4CCC(O)CC4)c3C2)nn1 ZINC000096153368 132220869 /nfs/dbraw/zinc/22/08/69/132220869.db2.gz YPVLVVZAGJXZQH-UHFFFAOYSA-N 1 1 369.473 1.165 50 0 FDAAMO Cc1cc(C)nc(CN(C)C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)c1 ZINC000097272545 132228351 /nfs/dbraw/zinc/22/83/51/132228351.db2.gz DVFSPNGVVPIXAH-UHFFFAOYSA-N 1 1 368.485 1.821 50 0 FDAAMO Cc1nc2c(c(N3CC[N@@H+](C)[C@@H](C)C3)n1)CCN(c1ncccn1)CC2 ZINC000106963044 132240597 /nfs/dbraw/zinc/24/05/97/132240597.db2.gz WGCADJAYLQUWDD-AWEZNQCLSA-N 1 1 353.474 1.321 50 0 FDAAMO Nc1nc(NC2CC2)cc(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)n1 ZINC000106965310 132266055 /nfs/dbraw/zinc/26/60/55/132266055.db2.gz DVJGWAQJTIGKKU-CQSZACIVSA-N 1 1 374.514 1.768 50 0 FDAAMO Cc1ncnc(N2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)CC2)c1C ZINC000220199458 132275558 /nfs/dbraw/zinc/27/55/58/132275558.db2.gz FVWCBDWCJCREMX-UHFFFAOYSA-N 1 1 365.481 1.800 50 0 FDAAMO Cc1ncnc(N2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)CC2)c1C ZINC000220199458 132275560 /nfs/dbraw/zinc/27/55/60/132275560.db2.gz FVWCBDWCJCREMX-UHFFFAOYSA-N 1 1 365.481 1.800 50 0 FDAAMO CCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)nc(N(C)C)n1 ZINC000230192408 132288980 /nfs/dbraw/zinc/28/89/80/132288980.db2.gz CETNPKMJNOAKAB-LJQANCHMSA-N 1 1 360.506 1.238 50 0 FDAAMO COCC[NH2+]Cc1cc2ccc(C)cc2nc1N1CCN(CCO)CC1 ZINC000299765426 132298195 /nfs/dbraw/zinc/29/81/95/132298195.db2.gz ATAOKFHFEFFAQF-UHFFFAOYSA-N 1 1 358.486 1.394 50 0 FDAAMO CNc1nc(N2CCN(Cc3nonc3C)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299783050 132299534 /nfs/dbraw/zinc/29/95/34/132299534.db2.gz VUNGWDWZKVDYDQ-CYBMUJFWSA-N 1 1 359.434 1.036 50 0 FDAAMO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[N@@H+](C)[C@H](CCO)C3)c12 ZINC000072408838 136145247 /nfs/dbraw/zinc/14/52/47/136145247.db2.gz SLCVYUMFQPMZIA-CQSZACIVSA-N 1 1 367.457 1.237 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)CC[N@@H+](Cc1c[nH]cn1)CC2 ZINC000072420971 136145843 /nfs/dbraw/zinc/14/58/43/136145843.db2.gz MUHZMDVKEFQYJG-HNNXBMFYSA-N 1 1 356.474 1.318 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)CC[N@H+](Cc1cnc[nH]1)CC2 ZINC000072420971 136145844 /nfs/dbraw/zinc/14/58/44/136145844.db2.gz MUHZMDVKEFQYJG-HNNXBMFYSA-N 1 1 356.474 1.318 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)CC[N@@H+](Cc1cnc[nH]1)CC2 ZINC000072420971 136145845 /nfs/dbraw/zinc/14/58/45/136145845.db2.gz MUHZMDVKEFQYJG-HNNXBMFYSA-N 1 1 356.474 1.318 50 0 FDAAMO O=C(Nc1ccc2ncsc2c1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095529920 209077227 /nfs/dbraw/zinc/07/72/27/209077227.db2.gz NZLSAYVQJIMXBK-GJZGRUSLSA-N 1 1 362.455 1.596 50 0 FDAAMO O=C(Nc1ccc2ncsc2c1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095529920 209077231 /nfs/dbraw/zinc/07/72/31/209077231.db2.gz NZLSAYVQJIMXBK-GJZGRUSLSA-N 1 1 362.455 1.596 50 0 FDAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568934 258609117 /nfs/dbraw/zinc/60/91/17/258609117.db2.gz OUSHVNCMRLWBHC-CHWSQXEVSA-N 1 1 366.767 1.839 50 0 FDAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280568934 258609118 /nfs/dbraw/zinc/60/91/18/258609118.db2.gz OUSHVNCMRLWBHC-CHWSQXEVSA-N 1 1 366.767 1.839 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C[C@@H]3CCC(=O)[C@H]3C)CC2)C1 ZINC000330036211 259123153 /nfs/dbraw/zinc/12/31/53/259123153.db2.gz YCMOZUZLZHUGGH-OKZBNKHCSA-N 1 1 365.518 1.245 50 0 FDAAMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000330182411 259131786 /nfs/dbraw/zinc/13/17/86/259131786.db2.gz OYOLPZAEZDHNHV-LBPRGKRZSA-N 1 1 355.489 1.317 50 0 FDAAMO Cc1nc(C[NH+]2CCC(CNC(=O)c3c(C)nn(C)c3N)CC2)cs1 ZINC000375045054 261255568 /nfs/dbraw/zinc/25/55/68/261255568.db2.gz WNMGRANSQHAREY-UHFFFAOYSA-N 1 1 362.503 1.718 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000002944186 518254085 /nfs/dbraw/zinc/25/40/85/518254085.db2.gz ZKDNTHTXBSBRKO-XHSDSOJGSA-N 1 1 359.536 1.142 50 0 FDAAMO CCn1nnc2c1ncnc2N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000005250450 518336197 /nfs/dbraw/zinc/33/61/97/518336197.db2.gz XYLCPBVBSAJPKM-UHFFFAOYSA-N 1 1 367.413 1.292 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 ZINC000010330983 518533824 /nfs/dbraw/zinc/53/38/24/518533824.db2.gz YXBBNQBWCLRQRW-CYBMUJFWSA-N 1 1 359.382 1.044 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 ZINC000010330978 518534260 /nfs/dbraw/zinc/53/42/60/518534260.db2.gz YXBBNQBWCLRQRW-ZDUSSCGKSA-N 1 1 359.382 1.044 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012448040 518614827 /nfs/dbraw/zinc/61/48/27/518614827.db2.gz ARIMMTGGOCRSCK-NHCUHLMSSA-N 1 1 370.472 1.978 50 0 FDAAMO O[C@@H]1CN(Cc2ccncc2)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000012448040 518614833 /nfs/dbraw/zinc/61/48/33/518614833.db2.gz ARIMMTGGOCRSCK-NHCUHLMSSA-N 1 1 370.472 1.978 50 0 FDAAMO C[N@@H+](Cc1ccno1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012612828 518625522 /nfs/dbraw/zinc/62/55/22/518625522.db2.gz PFEORLNDGCVXOX-GOSISDBHSA-N 1 1 365.380 1.938 50 0 FDAAMO COc1cc(CN2CCC(O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012710251 518628125 /nfs/dbraw/zinc/62/81/25/518628125.db2.gz JVQPMORSRWEYGB-SFHVURJKSA-N 1 1 366.502 1.732 50 0 FDAAMO COc1cc(CN2CCC(O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012710251 518628132 /nfs/dbraw/zinc/62/81/32/518628132.db2.gz JVQPMORSRWEYGB-SFHVURJKSA-N 1 1 366.502 1.732 50 0 FDAAMO CN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012747305 518631364 /nfs/dbraw/zinc/63/13/64/518631364.db2.gz YSQAYTLRVTYRNE-OAHLLOKOSA-N 1 1 360.433 1.857 50 0 FDAAMO CN(C(=O)C1=NN(C)C(=O)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012747305 518631370 /nfs/dbraw/zinc/63/13/70/518631370.db2.gz YSQAYTLRVTYRNE-OAHLLOKOSA-N 1 1 360.433 1.857 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](CC)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000013711526 518668093 /nfs/dbraw/zinc/66/80/93/518668093.db2.gz FLZIKVLJQPPQLH-MRXNPFEDSA-N 1 1 353.488 1.395 50 0 FDAAMO COc1ccccc1[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[NH+](C)C ZINC000014071741 518672233 /nfs/dbraw/zinc/67/22/33/518672233.db2.gz XFVRSPOAAYHTKC-MRXNPFEDSA-N 1 1 366.421 1.964 50 0 FDAAMO O=C(CN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014093316 518674008 /nfs/dbraw/zinc/67/40/08/518674008.db2.gz XRMDTDWILAHFSR-MRXNPFEDSA-N 1 1 370.453 1.242 50 0 FDAAMO O=C1CC[N@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)CCN1 ZINC000019220381 518804430 /nfs/dbraw/zinc/80/44/30/518804430.db2.gz PAFUSQOMAOWIRV-UHFFFAOYSA-N 1 1 361.471 1.584 50 0 FDAAMO COC(C)(C)C[NH2+]Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 ZINC000019742536 518833021 /nfs/dbraw/zinc/83/30/21/518833021.db2.gz HTGKQSGTBGDRTM-GOSISDBHSA-N 1 1 365.518 1.188 50 0 FDAAMO OCC[NH+]1CCN(C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019770984 518835052 /nfs/dbraw/zinc/83/50/52/518835052.db2.gz CKNAGKLOJXSPJL-KGMASTOKSA-N 1 1 366.546 1.580 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000019809541 518836926 /nfs/dbraw/zinc/83/69/26/518836926.db2.gz IUOMBVUSPSCTKH-ZDUSSCGKSA-N 1 1 369.343 1.535 50 0 FDAAMO CS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019920563 518839118 /nfs/dbraw/zinc/83/91/18/518839118.db2.gz KSYUYHVGINWRGN-KRWDZBQOSA-N 1 1 365.499 1.002 50 0 FDAAMO CCOC(=O)c1sc2[nH]c(CN3CC[NH+](C)CC3)nc(=O)c2c1C ZINC000019926567 518839331 /nfs/dbraw/zinc/83/93/31/518839331.db2.gz BDXIYZOVJXKMLX-UHFFFAOYSA-N 1 1 350.444 1.217 50 0 FDAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(N)=O)cc1 ZINC000020443090 518849864 /nfs/dbraw/zinc/84/98/64/518849864.db2.gz TUZPGQYZYBPBNB-RDGPPVDQSA-N 1 1 373.412 1.996 50 0 FDAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(N)=O)cc1 ZINC000020443090 518849867 /nfs/dbraw/zinc/84/98/67/518849867.db2.gz TUZPGQYZYBPBNB-RDGPPVDQSA-N 1 1 373.412 1.996 50 0 FDAAMO Cc1cc2c(cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C)OCC(=O)N2 ZINC000020491767 518852011 /nfs/dbraw/zinc/85/20/11/518852011.db2.gz HHXOIFILGMMALQ-ZDUSSCGKSA-N 1 1 367.471 1.479 50 0 FDAAMO O=c1c2cccnc2[nH]c(=S)n1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000020618248 518855610 /nfs/dbraw/zinc/85/56/10/518855610.db2.gz FWHHOFIJGVXXDR-UHFFFAOYSA-N 1 1 367.478 1.902 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000020654230 518856108 /nfs/dbraw/zinc/85/61/08/518856108.db2.gz KAROQMOPUYVYMY-SFHVURJKSA-N 1 1 373.478 1.480 50 0 FDAAMO Cn1ncc2c1nc(NCC[NH+]1CCCCC1)nc2N1CCN(C)CC1 ZINC000021929845 518887889 /nfs/dbraw/zinc/88/78/89/518887889.db2.gz LBIQIRNDTOXASP-UHFFFAOYSA-N 1 1 358.494 1.013 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943741 518887929 /nfs/dbraw/zinc/88/79/29/518887929.db2.gz UMNRHZLJLMBHFN-HNNXBMFYSA-N 1 1 372.469 1.081 50 0 FDAAMO O=C(CCNC(=O)Nc1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022090488 518891848 /nfs/dbraw/zinc/89/18/48/518891848.db2.gz RVEXDZYWFPBGBX-QGZVFWFLSA-N 1 1 360.458 1.521 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000022923723 518921257 /nfs/dbraw/zinc/92/12/57/518921257.db2.gz VBGMQCKGVHIPOR-UHFFFAOYSA-N 1 1 370.457 1.427 50 0 FDAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000023231926 518936539 /nfs/dbraw/zinc/93/65/39/518936539.db2.gz SLDWLTFDNIHZJU-HNNXBMFYSA-N 1 1 358.442 1.826 50 0 FDAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000023231926 518936549 /nfs/dbraw/zinc/93/65/49/518936549.db2.gz SLDWLTFDNIHZJU-HNNXBMFYSA-N 1 1 358.442 1.826 50 0 FDAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000023231926 518936556 /nfs/dbraw/zinc/93/65/56/518936556.db2.gz SLDWLTFDNIHZJU-HNNXBMFYSA-N 1 1 358.442 1.826 50 0 FDAAMO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000023231926 518936564 /nfs/dbraw/zinc/93/65/64/518936564.db2.gz SLDWLTFDNIHZJU-HNNXBMFYSA-N 1 1 358.442 1.826 50 0 FDAAMO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(c2cnccn2)CC1 ZINC000027632073 519189889 /nfs/dbraw/zinc/18/98/89/519189889.db2.gz URMXYMKOWUNCRW-UHFFFAOYSA-N 1 1 351.410 1.285 50 0 FDAAMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c(OC)c1 ZINC000040013603 519638427 /nfs/dbraw/zinc/63/84/27/519638427.db2.gz JWMHKTRBDKPMFD-QAPCUYQASA-N 1 1 350.459 1.534 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000245264244 519729833 /nfs/dbraw/zinc/72/98/33/519729833.db2.gz CHOUZDGZPNOVFM-HOCLYGCPSA-N 1 1 363.433 1.725 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)c3cnc(C4CC4)nc3)cc2C1 ZINC000082098211 519732049 /nfs/dbraw/zinc/73/20/49/519732049.db2.gz UULIQPJMCJTPDB-UHFFFAOYSA-N 1 1 354.458 1.952 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000082083660 520225463 /nfs/dbraw/zinc/22/54/63/520225463.db2.gz BYYMGIGEGARZLC-OAQYLSRUSA-N 1 1 372.513 1.807 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc(C)c2Cl)C[C@@H]1CO ZINC000091708019 521119687 /nfs/dbraw/zinc/11/96/87/521119687.db2.gz RKSVCZHUZWNXGJ-HUUCEWRRSA-N 1 1 354.878 1.643 50 0 FDAAMO O=C(NCc1ccon1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071663034 522117193 /nfs/dbraw/zinc/11/71/93/522117193.db2.gz IMTFLCBQNBSLOP-OAHLLOKOSA-N 1 1 360.458 1.404 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](CCCn2cnnn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071614689 522118125 /nfs/dbraw/zinc/11/81/25/522118125.db2.gz BPFGEAMRAYIIPR-GOSISDBHSA-N 1 1 374.464 1.961 50 0 FDAAMO CC[C@@H]1C[N@@H+](CCCn2nnnc2C)CCC(=O)N1Cc1ccccc1 ZINC000071721626 522119330 /nfs/dbraw/zinc/11/93/30/522119330.db2.gz VSNLGHMFNGYBKB-GOSISDBHSA-N 1 1 356.474 1.885 50 0 FDAAMO Cn1ccnc1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071746051 522119995 /nfs/dbraw/zinc/11/99/95/522119995.db2.gz YQLFGOMBXVZHNT-QGZVFWFLSA-N 1 1 359.518 1.719 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000071746842 522121236 /nfs/dbraw/zinc/12/12/36/522121236.db2.gz BKXWLMHUFXNADZ-INIZCTEOSA-N 1 1 356.470 1.677 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000071748576 522124073 /nfs/dbraw/zinc/12/40/73/522124073.db2.gz KHZGHSUWCLYNHU-ZDUSSCGKSA-N 1 1 362.499 1.738 50 0 FDAAMO CCOCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071750664 522124169 /nfs/dbraw/zinc/12/41/69/522124169.db2.gz LCFJSZPIAUHVOU-IBGZPJMESA-N 1 1 374.529 1.911 50 0 FDAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)C[C@H](O)CO ZINC000071754672 522128290 /nfs/dbraw/zinc/12/82/90/522128290.db2.gz DRQBREVCDSXYRJ-INIZCTEOSA-N 1 1 374.485 1.444 50 0 FDAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)C[C@H](O)CO ZINC000071754672 522128295 /nfs/dbraw/zinc/12/82/95/522128295.db2.gz DRQBREVCDSXYRJ-INIZCTEOSA-N 1 1 374.485 1.444 50 0 FDAAMO CC(C)[C@H]1CN(C(=O)Cn2ncnn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071753041 522128491 /nfs/dbraw/zinc/12/84/91/522128491.db2.gz MPFXTPSYJTVZBW-QGZVFWFLSA-N 1 1 360.437 1.571 50 0 FDAAMO O=C(c1cc[nH]n1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764353 522129101 /nfs/dbraw/zinc/12/91/01/522129101.db2.gz IIJSBZHJOFOOOB-HNNXBMFYSA-N 1 1 359.474 1.349 50 0 FDAAMO O=C(c1ccn[nH]1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764353 522129108 /nfs/dbraw/zinc/12/91/08/522129108.db2.gz IIJSBZHJOFOOOB-HNNXBMFYSA-N 1 1 359.474 1.349 50 0 FDAAMO O=C(c1ccn[nH]1)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764353 522129120 /nfs/dbraw/zinc/12/91/20/522129120.db2.gz IIJSBZHJOFOOOB-HNNXBMFYSA-N 1 1 359.474 1.349 50 0 FDAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)NCc3ccccc3)CC2)C[C@H](C)O1 ZINC000071764505 522130295 /nfs/dbraw/zinc/13/02/95/522130295.db2.gz HLFXRCXJUAFCSQ-IYBDPMFKSA-N 1 1 367.515 1.595 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)NCc3ccccc3)CC2)C[C@H](C)O1 ZINC000071764505 522130300 /nfs/dbraw/zinc/13/03/00/522130300.db2.gz HLFXRCXJUAFCSQ-IYBDPMFKSA-N 1 1 367.515 1.595 50 0 FDAAMO O=C(NCCCO)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071762662 522131021 /nfs/dbraw/zinc/13/10/21/522131021.db2.gz YFFOTCVZXOAZAU-IBGZPJMESA-N 1 1 359.514 1.862 50 0 FDAAMO CCOc1ccc(NC(=O)c2cnc(N3CCC[N@@H+](C)CC3)nc2N)cc1 ZINC000071772249 522133475 /nfs/dbraw/zinc/13/34/75/522133475.db2.gz KTVMNEUHSPPJIP-UHFFFAOYSA-N 1 1 370.457 1.852 50 0 FDAAMO CN1C[C@@]2(CCC[N@H+](CCS(=O)(=O)c3ccccc3)CC2)OC1=O ZINC000072133141 522161589 /nfs/dbraw/zinc/16/15/89/522161589.db2.gz WSZBTCTUUGRLKM-KRWDZBQOSA-N 1 1 352.456 1.767 50 0 FDAAMO CN1C[C@@]2(CCC[N@@H+](CCS(=O)(=O)c3ccccc3)CC2)OC1=O ZINC000072133141 522161597 /nfs/dbraw/zinc/16/15/97/522161597.db2.gz WSZBTCTUUGRLKM-KRWDZBQOSA-N 1 1 352.456 1.767 50 0 FDAAMO CCc1nccc(C[N@H+]2CCC[C@](O)(CNC(=O)N3CCCC3)CC2)n1 ZINC000072152681 522181037 /nfs/dbraw/zinc/18/10/37/522181037.db2.gz IJPULXRVYMFLFE-LJQANCHMSA-N 1 1 361.490 1.561 50 0 FDAAMO O=C(NC[C@@]1(O)CCC[N@@H+](Cc2ccc3nonc3c2)CC1)c1ccco1 ZINC000072157888 522185187 /nfs/dbraw/zinc/18/51/87/522185187.db2.gz HSHGCBWEVILJHT-LJQANCHMSA-N 1 1 370.409 1.963 50 0 FDAAMO COc1cccc(-c2ccc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)o2)c1 ZINC000072158995 522185767 /nfs/dbraw/zinc/18/57/67/522185767.db2.gz HYDNGXYIZDZEIZ-INIZCTEOSA-N 1 1 369.421 1.648 50 0 FDAAMO O=C(CSc1ccncc1)N1CC[NH2+]C[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000072161186 522189888 /nfs/dbraw/zinc/18/98/88/522189888.db2.gz WYXOZTRSPIQSAN-INIZCTEOSA-N 1 1 374.441 1.752 50 0 FDAAMO CCNc1ncc(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)cn1 ZINC000072165397 522191543 /nfs/dbraw/zinc/19/15/43/522191543.db2.gz ISKPZVQDRUKTRS-UHFFFAOYSA-N 1 1 364.457 1.544 50 0 FDAAMO CNC(=O)NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000058171115 522213748 /nfs/dbraw/zinc/21/37/48/522213748.db2.gz QQRQGTWUAHNZTP-CYBMUJFWSA-N 1 1 370.247 1.668 50 0 FDAAMO CNC(=O)NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000058171115 522213761 /nfs/dbraw/zinc/21/37/61/522213761.db2.gz QQRQGTWUAHNZTP-CYBMUJFWSA-N 1 1 370.247 1.668 50 0 FDAAMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C[C@H](C)O1 ZINC000058229690 522229040 /nfs/dbraw/zinc/22/90/40/522229040.db2.gz RBCIXUXRPLNELJ-HZSPNIEDSA-N 1 1 366.428 1.422 50 0 FDAAMO Cc1ccc([C@H](CNC(=O)CS[C@H]2CCS(=O)(=O)C2)[NH+](C)C)cc1 ZINC000058264605 522235670 /nfs/dbraw/zinc/23/56/70/522235670.db2.gz MRMRMWUUXVXFFZ-HOTGVXAUSA-N 1 1 370.540 1.634 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN1Cc2c(cccc2C(=O)N2CCCOCC2)C1=O ZINC000072409804 522241739 /nfs/dbraw/zinc/24/17/39/522241739.db2.gz GCMAQXMTHLKCMO-MRXNPFEDSA-N 1 1 371.481 1.989 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)C[C@H](C)O1 ZINC000072418117 522247603 /nfs/dbraw/zinc/24/76/03/522247603.db2.gz PXKJWMZLZUPIMH-OKILXGFUSA-N 1 1 359.470 1.577 50 0 FDAAMO CCCOCC[N@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072418596 522247652 /nfs/dbraw/zinc/24/76/52/522247652.db2.gz GRQYPPPPICFTEO-MRXNPFEDSA-N 1 1 365.522 1.378 50 0 FDAAMO Cc1ccc(NC(=O)C2CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)nc1 ZINC000058343475 522249353 /nfs/dbraw/zinc/24/93/53/522249353.db2.gz KHKJGPGUEXINMR-UHFFFAOYSA-N 1 1 359.430 1.029 50 0 FDAAMO CCOCc1nc2c(c(NCCO)n1)CC[N@@H+](Cc1cccnc1)CC2 ZINC000072428085 522264681 /nfs/dbraw/zinc/26/46/81/522264681.db2.gz IUAOHSOTIDISCL-UHFFFAOYSA-N 1 1 357.458 1.413 50 0 FDAAMO O=C(NCCc1ccccn1)[C@H]1C[N@@H+](C2CSCCSC2)CCO1 ZINC000072454306 522284412 /nfs/dbraw/zinc/28/44/12/522284412.db2.gz ZNCYDRFTNFLXHV-MRXNPFEDSA-N 1 1 367.540 1.290 50 0 FDAAMO O=C(NCCc1ccccn1)[C@H]1C[N@H+](C2CSCCSC2)CCO1 ZINC000072454306 522284426 /nfs/dbraw/zinc/28/44/26/522284426.db2.gz ZNCYDRFTNFLXHV-MRXNPFEDSA-N 1 1 367.540 1.290 50 0 FDAAMO COc1ccc(-c2n[nH]cc2CNC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000072454816 522285837 /nfs/dbraw/zinc/28/58/37/522285837.db2.gz BVKVQERYOZVCDK-QGZVFWFLSA-N 1 1 352.398 1.312 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)cc(N2CCOCC2)n1 ZINC000072467778 522290290 /nfs/dbraw/zinc/29/02/90/522290290.db2.gz UIXXNTRSLRHWQL-QGZVFWFLSA-N 1 1 373.501 1.423 50 0 FDAAMO C[C@H](Cn1cncn1)Nc1nc(-c2ccco2)nc2c1CC[N@@H+](C)CC2 ZINC000072477535 522299506 /nfs/dbraw/zinc/29/95/06/522299506.db2.gz MTCBQWAKVBQAHE-CYBMUJFWSA-N 1 1 353.430 1.859 50 0 FDAAMO COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1[NH2+]CCc2nc[nH]c21)CC3 ZINC000072479623 522303611 /nfs/dbraw/zinc/30/36/11/522303611.db2.gz QBAWDUZIVJJMTM-SFHVURJKSA-N 1 1 351.410 1.671 50 0 FDAAMO O=C([C@@H]1CNC(=O)N1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072479632 522305344 /nfs/dbraw/zinc/30/53/44/522305344.db2.gz ORMBRDFKDFDSPW-SFHVURJKSA-N 1 1 364.449 1.602 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)CN3CCOCC3)CC2)c1 ZINC000046485384 522309560 /nfs/dbraw/zinc/30/95/60/522309560.db2.gz CGFOTAHFYIXVCY-GOSISDBHSA-N 1 1 360.502 1.543 50 0 FDAAMO COc1ccc(OCC[N@H+](C)CCNS(=O)(=O)c2ccccc2)cc1 ZINC000061002345 522431773 /nfs/dbraw/zinc/43/17/73/522431773.db2.gz VBOOXGBBXQIMCT-UHFFFAOYSA-N 1 1 364.467 1.984 50 0 FDAAMO COc1ccc(OCC[N@@H+](C)CCNS(=O)(=O)c2ccccc2)cc1 ZINC000061002345 522431777 /nfs/dbraw/zinc/43/17/77/522431777.db2.gz VBOOXGBBXQIMCT-UHFFFAOYSA-N 1 1 364.467 1.984 50 0 FDAAMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000073333713 522513036 /nfs/dbraw/zinc/51/30/36/522513036.db2.gz ZSVRCNJACWLUKZ-MRXNPFEDSA-N 1 1 374.485 1.171 50 0 FDAAMO O[C@@]1(C[NH2+]C2(CN3CCOCC3)CCCC2)CCCN2CCCC[C@@H]21 ZINC000063884591 522669202 /nfs/dbraw/zinc/66/92/02/522669202.db2.gz UCCDMIWZWPWPDN-UYAOXDASSA-N 1 1 351.535 1.600 50 0 FDAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)NCC(=O)Nc3nccs3)cc2C1 ZINC000065370872 522809165 /nfs/dbraw/zinc/80/91/65/522809165.db2.gz CYJNWZMUFJBVKL-UHFFFAOYSA-N 1 1 362.459 1.322 50 0 FDAAMO CC(C)[N@H+]1CCCn2nc(C(=O)NCC(=O)Nc3nccs3)cc2C1 ZINC000065370872 522809176 /nfs/dbraw/zinc/80/91/76/522809176.db2.gz CYJNWZMUFJBVKL-UHFFFAOYSA-N 1 1 362.459 1.322 50 0 FDAAMO Cc1ccc(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1Cl ZINC000065365462 522809909 /nfs/dbraw/zinc/80/99/09/522809909.db2.gz KADZAPPIYGMGBK-CYBMUJFWSA-N 1 1 373.906 1.577 50 0 FDAAMO CC(C)(C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1)N1CCOCC1 ZINC000065384233 522811979 /nfs/dbraw/zinc/81/19/79/522811979.db2.gz KNJFHLGZPZUVGJ-DLBZAZTESA-N 1 1 362.470 1.676 50 0 FDAAMO Cc1cccc(-c2noc(CN(C)C(=O)CN3CCC[N@@H+](C)CC3)n2)c1 ZINC000065410566 522814918 /nfs/dbraw/zinc/81/49/18/522814918.db2.gz JBYWRZHWOBASSB-UHFFFAOYSA-N 1 1 357.458 1.641 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000065395163 522815348 /nfs/dbraw/zinc/81/53/48/522815348.db2.gz ZJTITNFWMICZEB-SFHVURJKSA-N 1 1 369.469 1.396 50 0 FDAAMO Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000065395163 522815361 /nfs/dbraw/zinc/81/53/61/522815361.db2.gz ZJTITNFWMICZEB-SFHVURJKSA-N 1 1 369.469 1.396 50 0 FDAAMO CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CSC[NH2+]1 ZINC000154807265 523024534 /nfs/dbraw/zinc/02/45/34/523024534.db2.gz IEFNKNGJIKWWCL-ZYHUDNBSSA-N 1 1 364.389 1.566 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000091616388 523306218 /nfs/dbraw/zinc/30/62/18/523306218.db2.gz HBUMZANMKBPACD-CQSZACIVSA-N 1 1 358.442 1.871 50 0 FDAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000077354230 523306860 /nfs/dbraw/zinc/30/68/60/523306860.db2.gz SDOYAJBCDWRRND-ZDUSSCGKSA-N 1 1 367.409 1.274 50 0 FDAAMO COc1cccc(-n2cc(CN(C)C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)cn2)c1 ZINC000077472278 523352693 /nfs/dbraw/zinc/35/26/93/523352693.db2.gz MESQGRJXNBAKPO-KRWDZBQOSA-N 1 1 354.414 1.132 50 0 FDAAMO CCC(CC)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]3C1=O ZINC000077540834 523377355 /nfs/dbraw/zinc/37/73/55/523377355.db2.gz QNIISZIIRGJVBZ-XLSPSMHOSA-N 1 1 361.486 1.121 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@@H+](C)Cc2ccc3ncccc3c2)C1=O ZINC000067446668 523455972 /nfs/dbraw/zinc/45/59/72/523455972.db2.gz GXBDFPAAEJFNKL-FQEVSTJZSA-N 1 1 357.454 1.667 50 0 FDAAMO CCCCS(=O)(=O)N1CCN(c2cc(-n3ccnc3)nc(C)[nH+]2)CC1 ZINC000067602131 523509194 /nfs/dbraw/zinc/50/91/94/523509194.db2.gz HNDNJJFLRLRFKR-UHFFFAOYSA-N 1 1 364.475 1.223 50 0 FDAAMO CCNc1cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]c(C)n1 ZINC000067630160 523527933 /nfs/dbraw/zinc/52/79/33/523527933.db2.gz VNZTZCPGASBAAI-UHFFFAOYSA-N 1 1 369.425 1.908 50 0 FDAAMO Cc1cc(C)n(CCCC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)n1 ZINC000067714216 523553999 /nfs/dbraw/zinc/55/39/99/523553999.db2.gz SWQMXMMITHOGRZ-UHFFFAOYSA-N 1 1 361.534 1.909 50 0 FDAAMO Cc1cc(C)n(CCCC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067714216 523554008 /nfs/dbraw/zinc/55/40/08/523554008.db2.gz SWQMXMMITHOGRZ-UHFFFAOYSA-N 1 1 361.534 1.909 50 0 FDAAMO COc1ccc2cc(C[NH+]3CCN(c4ncccn4)CC3)c(=O)[nH]c2c1 ZINC000067714367 523555796 /nfs/dbraw/zinc/55/57/96/523555796.db2.gz UKVHWCKCQGLUNS-UHFFFAOYSA-N 1 1 351.410 1.649 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)Nc1cnc2n1CCCC2 ZINC000067773343 523577306 /nfs/dbraw/zinc/57/73/06/523577306.db2.gz PEVRQTDKWFCISX-UHFFFAOYSA-N 1 1 355.446 1.322 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)NC[C@H](O)c3ccccc3)no2)CC1 ZINC000067772304 523578468 /nfs/dbraw/zinc/57/84/68/523578468.db2.gz UDQORUROLUOMDK-SFHVURJKSA-N 1 1 358.442 1.276 50 0 FDAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+]3CCNC(=O)CC3)C2=O)cc1 ZINC000067818137 523595699 /nfs/dbraw/zinc/59/56/99/523595699.db2.gz YGRXURJAXZMKBB-OAQYLSRUSA-N 1 1 373.497 1.485 50 0 FDAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)cc1C ZINC000067833608 523601094 /nfs/dbraw/zinc/60/10/94/523601094.db2.gz OAAQDVHQJFLEFI-AWEZNQCLSA-N 1 1 371.437 1.784 50 0 FDAAMO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC(N)=O)CC1 ZINC000067851735 523610682 /nfs/dbraw/zinc/61/06/82/523610682.db2.gz CBVJKCFGGJHKQU-UHFFFAOYSA-N 1 1 357.414 1.266 50 0 FDAAMO NC(=O)CCNC(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067850641 523610867 /nfs/dbraw/zinc/61/08/67/523610867.db2.gz IEQIQZWFLDBJRZ-UHFFFAOYSA-N 1 1 370.453 1.735 50 0 FDAAMO CN(C)c1nc2c(c(NC3CC[NH+](C[C@H]4CCCO4)CC3)n1)CCNC2 ZINC000067868697 523614428 /nfs/dbraw/zinc/61/44/28/523614428.db2.gz NKQDAYRPGXJAKH-OAHLLOKOSA-N 1 1 360.506 1.244 50 0 FDAAMO Cc1cc(C)c2ccc(C(=O)N3CCC4(CC3)[NH2+]CCNC4=O)nc2c1O ZINC000067921867 523635461 /nfs/dbraw/zinc/63/54/61/523635461.db2.gz GLFVYMBVPJRSBH-UHFFFAOYSA-N 1 1 368.437 1.251 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCSC2=O)C1 ZINC000078971150 523680161 /nfs/dbraw/zinc/68/01/61/523680161.db2.gz LXDHMKFQXLRSCU-BFHYXJOUSA-N 1 1 355.504 1.152 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2CCSC2=O)C1 ZINC000078971150 523680163 /nfs/dbraw/zinc/68/01/63/523680163.db2.gz LXDHMKFQXLRSCU-BFHYXJOUSA-N 1 1 355.504 1.152 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CNC(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000055308391 523794005 /nfs/dbraw/zinc/79/40/05/523794005.db2.gz HRWHKUOWXWHKNV-OAHLLOKOSA-N 1 1 365.449 1.420 50 0 FDAAMO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000055402716 523807132 /nfs/dbraw/zinc/80/71/32/523807132.db2.gz WPNCGDFVJWXLAN-KBPBESRZSA-N 1 1 358.490 1.910 50 0 FDAAMO O=c1[nH]c(CCN2CC[NH+](Cc3cccc(O)c3)CC2)nc2ccccc21 ZINC000081019184 523931403 /nfs/dbraw/zinc/93/14/03/523931403.db2.gz QXFCWEPBFQALJZ-UHFFFAOYSA-N 1 1 364.449 1.989 50 0 FDAAMO CN1N=C(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)CCC1=O ZINC000091603884 524030268 /nfs/dbraw/zinc/03/02/68/524030268.db2.gz BHIRRAAIBYBCQH-UHFFFAOYSA-N 1 1 372.473 1.256 50 0 FDAAMO COc1ccc(CNC(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000089756802 524050208 /nfs/dbraw/zinc/05/02/08/524050208.db2.gz HUTRXUOZYVPTFQ-LJQANCHMSA-N 1 1 372.469 1.491 50 0 FDAAMO Cc1cccc(-c2ncc(C[N@@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)cn2)c1 ZINC000020997878 524122808 /nfs/dbraw/zinc/12/28/08/524122808.db2.gz FDZAGVDLNOSQMM-OALUTQOASA-N 1 1 354.454 1.329 50 0 FDAAMO Cc1cccc(-c2ncc(C[N@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)cn2)c1 ZINC000020997878 524122809 /nfs/dbraw/zinc/12/28/09/524122809.db2.gz FDZAGVDLNOSQMM-OALUTQOASA-N 1 1 354.454 1.329 50 0 FDAAMO CN1CCN(C(=O)NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)CC1 ZINC000082099897 524208546 /nfs/dbraw/zinc/20/85/46/524208546.db2.gz RZQUKJHPUCXGDK-UHFFFAOYSA-N 1 1 374.533 1.879 50 0 FDAAMO NC(=O)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082133768 524213255 /nfs/dbraw/zinc/21/32/55/524213255.db2.gz YEUOPAVSCJTZMQ-FQEVSTJZSA-N 1 1 359.470 1.373 50 0 FDAAMO Cc1c(F)cccc1C[N@@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082158009 524217859 /nfs/dbraw/zinc/21/78/59/524217859.db2.gz VTJZLVVOQNPHFA-UHFFFAOYSA-N 1 1 366.462 1.786 50 0 FDAAMO Cc1c(F)cccc1C[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082158009 524217864 /nfs/dbraw/zinc/21/78/64/524217864.db2.gz VTJZLVVOQNPHFA-UHFFFAOYSA-N 1 1 366.462 1.786 50 0 FDAAMO C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)N1CC[NH+](C)CC1 ZINC000083967039 524279821 /nfs/dbraw/zinc/27/98/21/524279821.db2.gz NCKZOGRHSOSJQA-ZFWWWQNUSA-N 1 1 364.877 1.197 50 0 FDAAMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 ZINC000173690821 524435883 /nfs/dbraw/zinc/43/58/83/524435883.db2.gz SSRUOXNTFMGECC-SFHVURJKSA-N 1 1 359.470 1.262 50 0 FDAAMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 ZINC000173690821 524435893 /nfs/dbraw/zinc/43/58/93/524435893.db2.gz SSRUOXNTFMGECC-SFHVURJKSA-N 1 1 359.470 1.262 50 0 FDAAMO O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1nc2ccc(F)cc2s1 ZINC000089807297 524530513 /nfs/dbraw/zinc/53/05/13/524530513.db2.gz CPOJLRGSOCGBDF-ZDUSSCGKSA-N 1 1 364.446 1.780 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H]1CN1CCOCC1 ZINC000091270412 524688009 /nfs/dbraw/zinc/68/80/09/524688009.db2.gz RGWAFYCMNTVWDA-HUUCEWRRSA-N 1 1 368.861 1.441 50 0 FDAAMO OC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@H]1C[NH+]1CCOCC1 ZINC000091270412 524688020 /nfs/dbraw/zinc/68/80/20/524688020.db2.gz RGWAFYCMNTVWDA-HUUCEWRRSA-N 1 1 368.861 1.441 50 0 FDAAMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)no2)cc1 ZINC000091476676 524712109 /nfs/dbraw/zinc/71/21/09/524712109.db2.gz GYJULTXYKHIJBE-HXUWFJFHSA-N 1 1 370.453 1.852 50 0 FDAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)no2)cc1 ZINC000091476676 524712117 /nfs/dbraw/zinc/71/21/17/524712117.db2.gz GYJULTXYKHIJBE-HXUWFJFHSA-N 1 1 370.453 1.852 50 0 FDAAMO Cc1ccc2oc(N3C[C@H](CO)[C@H](C[N@@H+]4CCCN(C)CC4)C3)nc2c1 ZINC000091594618 524735322 /nfs/dbraw/zinc/73/53/22/524735322.db2.gz QORSOULGYUEUDG-IAGOWNOFSA-N 1 1 358.486 1.818 50 0 FDAAMO Cc1ccc2oc(N3C[C@H](CO)[C@H](CN4CCC[N@@H+](C)CC4)C3)nc2c1 ZINC000091594618 524735327 /nfs/dbraw/zinc/73/53/27/524735327.db2.gz QORSOULGYUEUDG-IAGOWNOFSA-N 1 1 358.486 1.818 50 0 FDAAMO Cc1ccc2oc(N3C[C@H](CO)[C@H](CN4CCC[N@H+](C)CC4)C3)nc2c1 ZINC000091594618 524735338 /nfs/dbraw/zinc/73/53/38/524735338.db2.gz QORSOULGYUEUDG-IAGOWNOFSA-N 1 1 358.486 1.818 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(OC)cc2C)C[C@@H]1CO ZINC000091621115 524742775 /nfs/dbraw/zinc/74/27/75/524742775.db2.gz MTRBIPRJTCFPLJ-HZPDHXFCSA-N 1 1 350.459 1.262 50 0 FDAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3n[nH]nc3c1)C2 ZINC000091657339 524754447 /nfs/dbraw/zinc/75/44/47/524754447.db2.gz SKBUMRZHUJUZNL-DZGCQCFKSA-N 1 1 365.441 1.726 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3n[nH]nc3c1)C2 ZINC000091657339 524754457 /nfs/dbraw/zinc/75/44/57/524754457.db2.gz SKBUMRZHUJUZNL-DZGCQCFKSA-N 1 1 365.441 1.726 50 0 FDAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1O ZINC000091664911 524756121 /nfs/dbraw/zinc/75/61/21/524756121.db2.gz FZJBYYZJGWUPSO-IAGOWNOFSA-N 1 1 361.486 1.019 50 0 FDAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1O ZINC000091664911 524756133 /nfs/dbraw/zinc/75/61/33/524756133.db2.gz FZJBYYZJGWUPSO-IAGOWNOFSA-N 1 1 361.486 1.019 50 0 FDAAMO Cc1cccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1O ZINC000091664911 524756145 /nfs/dbraw/zinc/75/61/45/524756145.db2.gz FZJBYYZJGWUPSO-IAGOWNOFSA-N 1 1 361.486 1.019 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cs1 ZINC000091663376 524757621 /nfs/dbraw/zinc/75/76/21/524757621.db2.gz AJOAYNRFSGQBHB-IAGOWNOFSA-N 1 1 351.516 1.375 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cs1 ZINC000091663376 524757629 /nfs/dbraw/zinc/75/76/29/524757629.db2.gz AJOAYNRFSGQBHB-IAGOWNOFSA-N 1 1 351.516 1.375 50 0 FDAAMO Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cs1 ZINC000091663376 524757639 /nfs/dbraw/zinc/75/76/39/524757639.db2.gz AJOAYNRFSGQBHB-IAGOWNOFSA-N 1 1 351.516 1.375 50 0 FDAAMO C[N@H+]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@]12CCNC(=O)CC2 ZINC000091725899 524769677 /nfs/dbraw/zinc/76/96/77/524769677.db2.gz CKYVIDKGNMHYJW-FQEVSTJZSA-N 1 1 372.444 1.454 50 0 FDAAMO CCNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cn1 ZINC000091746261 524774698 /nfs/dbraw/zinc/77/46/98/524774698.db2.gz BSCNJPVINFKVQS-GOEBONIOSA-N 1 1 369.473 1.677 50 0 FDAAMO CCNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)cn1 ZINC000091746261 524774711 /nfs/dbraw/zinc/77/47/11/524774711.db2.gz BSCNJPVINFKVQS-GOEBONIOSA-N 1 1 369.473 1.677 50 0 FDAAMO COc1ccc(OCC(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000020896930 524930719 /nfs/dbraw/zinc/93/07/19/524930719.db2.gz HAFZHLYUWHPATN-UHFFFAOYSA-N 1 1 355.438 1.856 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2c(O)nc3ccccn3c2=O)C1 ZINC000096298832 525156760 /nfs/dbraw/zinc/15/67/60/525156760.db2.gz LCOUKSZPXQEMLP-OKILXGFUSA-N 1 1 358.442 1.498 50 0 FDAAMO COc1ccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2CCO)c(F)c1 ZINC000104424975 525411930 /nfs/dbraw/zinc/41/19/30/525411930.db2.gz UUWHRAMBCQWBHE-QGZVFWFLSA-N 1 1 352.450 1.882 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cnn1C ZINC000082148434 525706011 /nfs/dbraw/zinc/70/60/11/525706011.db2.gz LXJWGLNGHNWSDO-FQEVSTJZSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cnn1C ZINC000082148434 525706023 /nfs/dbraw/zinc/70/60/23/525706023.db2.gz LXJWGLNGHNWSDO-FQEVSTJZSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cnn1C ZINC000082148434 525706026 /nfs/dbraw/zinc/70/60/26/525706026.db2.gz LXJWGLNGHNWSDO-FQEVSTJZSA-N 1 1 370.501 1.899 50 0 FDAAMO COc1cccc(OC2CN(C(=O)CC[C@@H](C)N3CC[NH+](C)CC3)C2)c1 ZINC000091586719 526226239 /nfs/dbraw/zinc/22/62/39/526226239.db2.gz RHBSTIWIGRLWPR-MRXNPFEDSA-N 1 1 361.486 1.701 50 0 FDAAMO O=C(CCC(=O)N1CCOc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020466296 526382736 /nfs/dbraw/zinc/38/27/36/526382736.db2.gz LTKSRISYLFMCBM-UHFFFAOYSA-N 1 1 361.442 1.031 50 0 FDAAMO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000091320653 526584429 /nfs/dbraw/zinc/58/44/29/526584429.db2.gz PHUFTQRQBJYZMI-IRXDYDNUSA-N 1 1 374.416 1.123 50 0 FDAAMO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000091320653 526584436 /nfs/dbraw/zinc/58/44/36/526584436.db2.gz PHUFTQRQBJYZMI-IRXDYDNUSA-N 1 1 374.416 1.123 50 0 FDAAMO O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091587239 526590785 /nfs/dbraw/zinc/59/07/85/526590785.db2.gz SUNDPFMUGXLHFF-IAGOWNOFSA-N 1 1 370.453 1.089 50 0 FDAAMO O=C(COc1ccccc1Br)NCCC[NH+]1CCOCC1 ZINC000020508189 526988781 /nfs/dbraw/zinc/98/87/81/526988781.db2.gz YPHHWUVXSWXYFY-UHFFFAOYSA-N 1 1 357.248 1.666 50 0 FDAAMO CCn1c(CN2CCCC2)nnc1C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000082134086 535981699 /nfs/dbraw/zinc/98/16/99/535981699.db2.gz MOMQQBYZQOUOJI-UHFFFAOYSA-N 1 1 356.478 1.650 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1F ZINC000188502274 536294798 /nfs/dbraw/zinc/29/47/98/536294798.db2.gz ZJBKWNZIRKRLFS-AWEZNQCLSA-N 1 1 367.465 1.863 50 0 FDAAMO Cn1ccnc1CN1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000216116812 537446842 /nfs/dbraw/zinc/44/68/42/537446842.db2.gz GWMIPSOWUJPVAA-UHFFFAOYSA-N 1 1 350.470 1.983 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(n2cnnc2)CC1 ZINC000219694748 537478796 /nfs/dbraw/zinc/47/87/96/537478796.db2.gz WLCYJTGVYMXECF-IBGZPJMESA-N 1 1 369.469 1.733 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(n2cnnc2)CC1 ZINC000219694748 537478801 /nfs/dbraw/zinc/47/88/01/537478801.db2.gz WLCYJTGVYMXECF-IBGZPJMESA-N 1 1 369.469 1.733 50 0 FDAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426674433 538122201 /nfs/dbraw/zinc/12/22/01/538122201.db2.gz ZKPIXZFYRSUXAF-HNNXBMFYSA-N 1 1 355.398 1.527 50 0 FDAAMO COc1ccc(CCNC(=O)NCc2cn(-c3cc[nH+]cc3)nn2)cc1 ZINC000575414289 550461737 /nfs/dbraw/zinc/46/17/37/550461737.db2.gz BFNDQIFINDMXJZ-UHFFFAOYSA-N 1 1 352.398 1.713 50 0 FDAAMO COCCN(Cc1ccccc1OC)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000584884890 551564702 /nfs/dbraw/zinc/56/47/02/551564702.db2.gz LYOSFONSLVSOQM-KRWDZBQOSA-N 1 1 364.490 1.099 50 0 FDAAMO O=C(CCCNC(=O)c1cnccn1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000604404378 553874484 /nfs/dbraw/zinc/87/44/84/553874484.db2.gz FYFWPPZTYDWABO-DOTOQJQBSA-N 1 1 359.474 1.367 50 0 FDAAMO Nc1nc(NC2CC[NH+](Cc3ccccn3)CC2)cc(C2CC(O)C2)n1 ZINC000222599024 568543738 /nfs/dbraw/zinc/54/37/38/568543738.db2.gz FUQLJRAVKDDRBQ-UHFFFAOYSA-N 1 1 354.458 1.769 50 0 FDAAMO COCC1(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)CCC1 ZINC000426436843 570605672 /nfs/dbraw/zinc/60/56/72/570605672.db2.gz YVLKQFMCZWQYSU-HZPDHXFCSA-N 1 1 351.447 1.160 50 0 FDAAMO COCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)CCC1 ZINC000426436843 570605677 /nfs/dbraw/zinc/60/56/77/570605677.db2.gz YVLKQFMCZWQYSU-HZPDHXFCSA-N 1 1 351.447 1.160 50 0 FDAAMO COCCCN(C)C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000426519275 570613889 /nfs/dbraw/zinc/61/38/89/570613889.db2.gz PIKHCFPTHZSIMM-MOMVYJMYSA-N 1 1 372.513 1.232 50 0 FDAAMO CCc1nnc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)N2CCCCC2)s1 ZINC000244874968 571118588 /nfs/dbraw/zinc/11/85/88/571118588.db2.gz XKFIHKHQJMGKFZ-ZDUSSCGKSA-N 1 1 365.503 1.906 50 0 FDAAMO Cn1c(CN2CCC3(CNc4ccccc43)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252523168 571133768 /nfs/dbraw/zinc/13/37/68/571133768.db2.gz BZONHRLFEASJAV-GASCZTMLSA-N 1 1 352.486 1.979 50 0 FDAAMO COc1ccccc1CCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426535939 571134159 /nfs/dbraw/zinc/13/41/59/571134159.db2.gz SEFLVUOWZSUJAZ-HNNXBMFYSA-N 1 1 370.453 1.825 50 0 FDAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000299757865 571192453 /nfs/dbraw/zinc/19/24/53/571192453.db2.gz KTRSJYCRQLVCIC-CQSZACIVSA-N 1 1 357.458 1.020 50 0 FDAAMO CN(CCC(=O)NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000299757865 571192454 /nfs/dbraw/zinc/19/24/54/571192454.db2.gz KTRSJYCRQLVCIC-CQSZACIVSA-N 1 1 357.458 1.020 50 0 FDAAMO CN(CCC(=O)NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000299757865 571192455 /nfs/dbraw/zinc/19/24/55/571192455.db2.gz KTRSJYCRQLVCIC-CQSZACIVSA-N 1 1 357.458 1.020 50 0 FDAAMO CCn1c(=O)oc2cc(NC(=O)NCC[N@H+]3CCCC[C@H]3CO)ccc21 ZINC000299757532 571192601 /nfs/dbraw/zinc/19/26/01/571192601.db2.gz JCFOULHNQXCXCT-AWEZNQCLSA-N 1 1 362.430 1.583 50 0 FDAAMO Cc1n[nH]c(C)c1CCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000299767221 571194825 /nfs/dbraw/zinc/19/48/25/571194825.db2.gz PNULTIPGLLFMGO-ZDUSSCGKSA-N 1 1 358.446 1.156 50 0 FDAAMO CCc1noc(C)c1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000299768658 571195280 /nfs/dbraw/zinc/19/52/80/571195280.db2.gz PRDQRDNCEPIAEE-UHFFFAOYSA-N 1 1 369.487 1.317 50 0 FDAAMO CCc1noc(-c2ccccc2NC(=O)NC[C@@H]2COCC[N@@H+](C)C2)n1 ZINC000299769122 571195406 /nfs/dbraw/zinc/19/54/06/571195406.db2.gz NBHWVEQYISPTFH-ZDUSSCGKSA-N 1 1 359.430 1.999 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)c3cc4c(s3)CCCCC4)C[C@@H]2O)CC1 ZINC000299770904 571195642 /nfs/dbraw/zinc/19/56/42/571195642.db2.gz NVUYVMJHRJRFTN-HOTGVXAUSA-N 1 1 363.527 1.450 50 0 FDAAMO C[NH+]1CCN(CC[C@H]2CCCCN2C(=O)Nc2cccc3n[nH]nc32)CC1 ZINC000299770637 571195731 /nfs/dbraw/zinc/19/57/31/571195731.db2.gz XKPLHWTYANTFJA-OAHLLOKOSA-N 1 1 371.489 1.982 50 0 FDAAMO OCCNc1nc(NCc2cnc3c(c2)CCC3)cc([C@@H]2CCOC2)[nH+]1 ZINC000299783964 571198858 /nfs/dbraw/zinc/19/88/58/571198858.db2.gz KQXZUFUWDHRJCF-OAHLLOKOSA-N 1 1 355.442 1.881 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000299790119 571200475 /nfs/dbraw/zinc/20/04/75/571200475.db2.gz MCDAWYXYDIURSA-INIZCTEOSA-N 1 1 355.442 1.864 50 0 FDAAMO CC(=O)Nc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000299790119 571200476 /nfs/dbraw/zinc/20/04/76/571200476.db2.gz MCDAWYXYDIURSA-INIZCTEOSA-N 1 1 355.442 1.864 50 0 FDAAMO CC1=C(CC[N@@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)C(C)(C)CCC1 ZINC000299790851 571200670 /nfs/dbraw/zinc/20/06/70/571200670.db2.gz DJZSWDALLPDQQI-IAGOWNOFSA-N 1 1 373.563 1.734 50 0 FDAAMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000299791889 571201065 /nfs/dbraw/zinc/20/10/65/571201065.db2.gz GENGCMCIGWDRFS-OAHLLOKOSA-N 1 1 356.426 1.128 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cc(C)nc(N)n2)c1 ZINC000299791923 571201110 /nfs/dbraw/zinc/20/11/10/571201110.db2.gz FAORGRJTLKETDN-IRXDYDNUSA-N 1 1 355.442 1.483 50 0 FDAAMO OCCNc1nc(N2CCOc3ccccc3C2)cc([C@H]2CCOC2)[nH+]1 ZINC000299798699 571202694 /nfs/dbraw/zinc/20/26/94/571202694.db2.gz QZIXAKUANYJHQF-HNNXBMFYSA-N 1 1 356.426 1.784 50 0 FDAAMO CC(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)cc1 ZINC000299800312 571202904 /nfs/dbraw/zinc/20/29/04/571202904.db2.gz VVAQQWDAXAEOIL-QZTJIDSGSA-N 1 1 361.486 1.138 50 0 FDAAMO CC(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)cc1 ZINC000299800312 571202907 /nfs/dbraw/zinc/20/29/07/571202907.db2.gz VVAQQWDAXAEOIL-QZTJIDSGSA-N 1 1 361.486 1.138 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCNC(=O)c1ccccc1F ZINC000299799936 571203061 /nfs/dbraw/zinc/20/30/61/571203061.db2.gz XSMXWJDTCDKYTB-HOTGVXAUSA-N 1 1 351.422 1.169 50 0 FDAAMO CSCC[NH+]1CCN(C(=O)c2ccc(-c3cnc(N)cn3)cc2)CC1 ZINC000426379596 571217008 /nfs/dbraw/zinc/21/70/08/571217008.db2.gz CGYIQTQWGSEZAT-UHFFFAOYSA-N 1 1 357.483 1.847 50 0 FDAAMO O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCS(=O)(=O)CC1 ZINC000426388198 571218614 /nfs/dbraw/zinc/21/86/14/571218614.db2.gz SVLLYHMMLQPVFN-QGZVFWFLSA-N 1 1 365.499 1.339 50 0 FDAAMO CN(C)C1(CNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)CC[NH+](C)CC1 ZINC000426428232 571224127 /nfs/dbraw/zinc/22/41/27/571224127.db2.gz FPVYACUUHVZAIW-UHFFFAOYSA-N 1 1 370.501 1.698 50 0 FDAAMO COCCN(Cc1cnn(C)c1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000426491549 571227945 /nfs/dbraw/zinc/22/79/45/571227945.db2.gz PUAKGVFRLCOELR-INIZCTEOSA-N 1 1 351.495 1.699 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cc(-c2nnn(C)n2)ccc1C ZINC000426510009 571229083 /nfs/dbraw/zinc/22/90/83/571229083.db2.gz GPOMCMDANSCNCI-HOTGVXAUSA-N 1 1 373.461 1.415 50 0 FDAAMO COCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)cc1 ZINC000426661418 571234433 /nfs/dbraw/zinc/23/44/33/571234433.db2.gz YYLAHKRLZYGGHS-RTBURBONSA-N 1 1 373.453 1.803 50 0 FDAAMO COCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)cc1 ZINC000426661418 571234435 /nfs/dbraw/zinc/23/44/35/571234435.db2.gz YYLAHKRLZYGGHS-RTBURBONSA-N 1 1 373.453 1.803 50 0 FDAAMO CNC(=O)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426689810 571235282 /nfs/dbraw/zinc/23/52/82/571235282.db2.gz DENPKZGPLPFAIS-SFHVURJKSA-N 1 1 351.397 1.525 50 0 FDAAMO CC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)C1 ZINC000426712254 571236323 /nfs/dbraw/zinc/23/63/23/571236323.db2.gz XEZKDVCBTFSWED-OAHLLOKOSA-N 1 1 362.449 1.521 50 0 FDAAMO O=C(NCC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCCNC(=O)C1 ZINC000426723832 571236663 /nfs/dbraw/zinc/23/66/63/571236663.db2.gz GSWOEUSEPZIOKG-GOSISDBHSA-N 1 1 358.486 1.963 50 0 FDAAMO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1=O ZINC000252540548 571283053 /nfs/dbraw/zinc/28/30/53/571283053.db2.gz PLJWQIIFOFDYIA-GOSISDBHSA-N 1 1 358.486 1.915 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000670453465 571352809 /nfs/dbraw/zinc/35/28/09/571352809.db2.gz XIFXMQIMDPNGOT-OAHLLOKOSA-N 1 1 351.491 1.110 50 0 FDAAMO CC[N@H+]1CC[C@]2(CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)C2)C1 ZINC000012444954 670613435 /nfs/dbraw/zinc/61/34/35/670613435.db2.gz GKBOAXWKPCMCCO-SFHVURJKSA-N 1 1 368.547 1.860 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](Cc1ccsc1)CC2)[C@H]1CCOC1 ZINC000020135685 670668609 /nfs/dbraw/zinc/66/86/09/670668609.db2.gz IQTALGXXULHUKX-AWEZNQCLSA-N 1 1 361.471 1.051 50 0 FDAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)Cc1cccs1)CC2 ZINC000169789493 672042378 /nfs/dbraw/zinc/04/23/78/672042378.db2.gz MBARCZUDVUJKAD-HNNXBMFYSA-N 1 1 352.500 1.470 50 0 FDAAMO Cc1cccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1Cl ZINC000186121025 672268400 /nfs/dbraw/zinc/26/84/00/672268400.db2.gz QSQPFXVLITZMST-CYBMUJFWSA-N 1 1 371.890 1.233 50 0 FDAAMO C[NH+](C)CCc1nc(C2(c3ccccc3)CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000096153992 784529974 /nfs/dbraw/zinc/52/99/74/784529974.db2.gz QSOYQYJQTVJBJK-MRXNPFEDSA-N 1 1 374.510 1.822 50 0 FDAAMO O=C1CN(Cc2cn(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nn2)CCN1 ZINC000023505334 786875293 /nfs/dbraw/zinc/87/52/93/786875293.db2.gz XOYQSPGJLZMEFH-GOSISDBHSA-N 1 1 368.485 1.122 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCCCc2nn(CC(C)C)c(=O)n21 ZINC000675012227 795213652 /nfs/dbraw/zinc/21/36/52/795213652.db2.gz GAUJNMITNLTFMX-HNNXBMFYSA-N 1 1 360.462 1.290 50 0 FDAAMO CC(C)[N@@H+]1CCc2nnc(C3CCN(C(=O)c4cccn4C)CC3)n2CC1 ZINC000675014970 795226245 /nfs/dbraw/zinc/22/62/45/795226245.db2.gz OHCSHWQQCABUEP-UHFFFAOYSA-N 1 1 370.501 1.903 50 0 FDAAMO C[C@@H](Cc1ccccn1)NC(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000426556046 810662901 /nfs/dbraw/zinc/66/29/01/810662901.db2.gz TXTCXHXRIJUONH-KRWDZBQOSA-N 1 1 359.518 1.824 50 0 FDAAMO C[C@@H](Cc1ccccn1)NC(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000426556046 810662903 /nfs/dbraw/zinc/66/29/03/810662903.db2.gz TXTCXHXRIJUONH-KRWDZBQOSA-N 1 1 359.518 1.824 50 0 FDAAMO Cn1cc(C(=O)N2CCC3(C[N@@H+](Cc4ccccc4)C[C@H]3CO)CC2)cn1 ZINC000169783582 864527195 /nfs/dbraw/zinc/52/71/95/864527195.db2.gz UPTUOEPTUIDBIH-IBGZPJMESA-N 1 1 368.481 1.767 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)c(C)c1 ZINC000257192600 864723779 /nfs/dbraw/zinc/72/37/79/864723779.db2.gz VGLYGPIMURRLIH-HNAYVOBHSA-N 1 1 355.438 1.621 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CO)c(C)c1 ZINC000257192600 864723784 /nfs/dbraw/zinc/72/37/84/864723784.db2.gz VGLYGPIMURRLIH-HNAYVOBHSA-N 1 1 355.438 1.621 50 0 FDAAMO CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cn2)CC1 ZINC000012049932 873945311 /nfs/dbraw/zinc/94/53/11/873945311.db2.gz QZVRDDJKJFXWPX-GOSISDBHSA-N 1 1 373.545 1.931 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cn2)CC1 ZINC000012049932 873945315 /nfs/dbraw/zinc/94/53/15/873945315.db2.gz QZVRDDJKJFXWPX-GOSISDBHSA-N 1 1 373.545 1.931 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)cn2)CC1 ZINC000012049932 873945317 /nfs/dbraw/zinc/94/53/17/873945317.db2.gz QZVRDDJKJFXWPX-GOSISDBHSA-N 1 1 373.545 1.931 50 0 FDAAMO CC(C)=CC[N@@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccccc1 ZINC000011841700 894561970 /nfs/dbraw/zinc/56/19/70/894561970.db2.gz ANMYDPBGPIYKAR-MSOLQXFVSA-N 1 1 354.458 1.614 50 0 FDAAMO CC(C)=CC[N@H+]1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccccc1 ZINC000011841700 894561981 /nfs/dbraw/zinc/56/19/81/894561981.db2.gz ANMYDPBGPIYKAR-MSOLQXFVSA-N 1 1 354.458 1.614 50 0 FDAAMO COc1ccccc1COC[C@H](O)C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000183774673 896380045 /nfs/dbraw/zinc/38/00/45/896380045.db2.gz LLTOFENZFSPOOZ-GOSISDBHSA-N 1 1 372.469 1.493 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCc2csc(-c3cnccn3)n2)C1 ZINC000821758580 919993755 /nfs/dbraw/zinc/99/37/55/919993755.db2.gz KUWLNGTUHOVJMW-AWEZNQCLSA-N 1 1 361.471 1.716 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)c2ccc(-c3cnc4nncn4c3)cc2)C1 ZINC000823801205 922100079 /nfs/dbraw/zinc/10/00/79/922100079.db2.gz NQXCBSVHCHAEEA-CQSZACIVSA-N 1 1 366.425 1.099 50 0 FDAAMO Cn1ccnc1CCN1CCOC2(CC[NH+](Cc3cncnc3)CC2)C1 ZINC000825641693 923778325 /nfs/dbraw/zinc/77/83/25/923778325.db2.gz XBLZZJBGFAIBSR-UHFFFAOYSA-N 1 1 356.474 1.120 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(=O)[C@H]4CCC(=O)N4)CC3)C2)o1 ZINC000828256567 924859511 /nfs/dbraw/zinc/85/95/11/924859511.db2.gz RRASUCIRSGLHCC-MRXNPFEDSA-N 1 1 361.442 1.060 50 0 FDAAMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(=O)[C@H]4CCC(=O)N4)CC3)C2)o1 ZINC000828256567 924859519 /nfs/dbraw/zinc/85/95/19/924859519.db2.gz RRASUCIRSGLHCC-MRXNPFEDSA-N 1 1 361.442 1.060 50 0 FDAAMO O=C(Cc1nc2cc(Cl)ccc2[nH]1)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711107 924927247 /nfs/dbraw/zinc/92/72/47/924927247.db2.gz DPUJVPQWZDCOOZ-LBPRGKRZSA-N 1 1 350.850 1.579 50 0 FDAAMO O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711107 924927253 /nfs/dbraw/zinc/92/72/53/924927253.db2.gz DPUJVPQWZDCOOZ-LBPRGKRZSA-N 1 1 350.850 1.579 50 0 FDAAMO O=C(Cc1nc2ccc(Cl)cc2[nH]1)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711107 924927257 /nfs/dbraw/zinc/92/72/57/924927257.db2.gz DPUJVPQWZDCOOZ-LBPRGKRZSA-N 1 1 350.850 1.579 50 0 FDAAMO Cc1ccncc1C(=O)N1CCC2(C[C@@H](CN3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581803152 927600222 /nfs/dbraw/zinc/60/02/22/927600222.db2.gz UCZBYBMFIGIRCP-SFHVURJKSA-N 1 1 372.513 1.649 50 0 FDAAMO Cc1cc(N2CCC(N(C)C(=O)CCc3ccn(C)n3)CC2)nc(C)[nH+]1 ZINC000585085645 943945949 /nfs/dbraw/zinc/94/59/49/943945949.db2.gz ATQGZPZYQHGNCB-UHFFFAOYSA-N 1 1 356.474 1.887 50 0 FDAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952873025 960220927 /nfs/dbraw/zinc/22/09/27/960220927.db2.gz USWHBUGTXCFXLM-ZBFHGGJFSA-N 1 1 369.469 1.793 50 0 FDAAMO CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952964771 960248807 /nfs/dbraw/zinc/24/88/07/960248807.db2.gz QJUUULXFQONQHK-KBPBESRZSA-N 1 1 363.462 1.444 50 0 FDAAMO CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000952964771 960248816 /nfs/dbraw/zinc/24/88/16/960248816.db2.gz QJUUULXFQONQHK-KBPBESRZSA-N 1 1 363.462 1.444 50 0 FDAAMO Cc1cccc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC000952973616 960268295 /nfs/dbraw/zinc/26/82/95/960268295.db2.gz AQJCIULHWFVCAH-MRXNPFEDSA-N 1 1 358.486 1.277 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000952968270 960283510 /nfs/dbraw/zinc/28/35/10/960283510.db2.gz BMLRCSSAMZGEPB-GFCCVEGCSA-N 1 1 360.389 1.294 50 0 FDAAMO CC(C)[C@H](C(=O)N1CCN(c2cccnn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245198418 178352420 /nfs/dbraw/zinc/35/24/20/178352420.db2.gz CMESZNRIFVGKFG-SOLBZPMBSA-N 1 1 361.490 1.259 50 0 FDAAMO CC(C)[C@H](C(=O)N1CCN(c2cccnn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245198418 178352422 /nfs/dbraw/zinc/35/24/22/178352422.db2.gz CMESZNRIFVGKFG-SOLBZPMBSA-N 1 1 361.490 1.259 50 0 FDAAMO CC1=[NH+]N(CC(C)C)c2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2[C@@H]1C ZINC000004316670 219564861 /nfs/dbraw/zinc/56/48/61/219564861.db2.gz DGBNFWVVDNZBIA-CYBMUJFWSA-N 1 1 360.462 1.966 50 0 FDAAMO O=C(NCC1CCN(Cc2ccccc2Cl)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238011792 209358703 /nfs/dbraw/zinc/35/87/03/209358703.db2.gz SBVCEHBYPDXHIO-WBVHZDCISA-N 1 1 351.878 1.391 50 0 FDAAMO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3CO)CC2)c1 ZINC000107534666 209277221 /nfs/dbraw/zinc/27/72/21/209277221.db2.gz WAFQNHPRKBNSTK-AZUAARDMSA-N 1 1 359.514 1.732 50 0 FDAAMO Cc1nc[nH]c1CN1CCc2ncnc(N3CC[C@@H]([NH+](C)C)C3)c2CC1 ZINC000106959939 209273111 /nfs/dbraw/zinc/27/31/11/209273111.db2.gz ZTJIZXFJFAKSMN-OAHLLOKOSA-N 1 1 355.490 1.249 50 0 FDAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000106136268 209272393 /nfs/dbraw/zinc/27/23/93/209272393.db2.gz DDRPTEKVHQQNDO-CABCVRRESA-N 1 1 356.470 1.942 50 0 FDAAMO O=C(COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1)N1CCOCC1 ZINC000102105407 209232355 /nfs/dbraw/zinc/23/23/55/209232355.db2.gz UIWJZUBVRGQBNH-PIIMJCKOSA-N 1 1 360.454 1.412 50 0 FDAAMO COc1cccc2ccc(C[NH+]3CCC4(CC3)NC(N(C)C)=NC4=O)nc21 ZINC000097594890 209187305 /nfs/dbraw/zinc/18/73/05/209187305.db2.gz LMTCFVKBECTTNP-UHFFFAOYSA-N 1 1 367.453 1.625 50 0 FDAAMO C[C@H](CCc1nc(CC(N)=O)nn1-c1ccccc1F)N1CC[NH+](C)CC1 ZINC000096164482 209129459 /nfs/dbraw/zinc/12/94/59/209129459.db2.gz YRTYCMNYMRDRDH-CQSZACIVSA-N 1 1 374.464 1.003 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)C3)cc1 ZINC000096162062 209128807 /nfs/dbraw/zinc/12/88/07/209128807.db2.gz VFICNHVNYCUCEI-OAHLLOKOSA-N 1 1 370.453 1.427 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)C3)cc1 ZINC000096162062 209128808 /nfs/dbraw/zinc/12/88/08/209128808.db2.gz VFICNHVNYCUCEI-OAHLLOKOSA-N 1 1 370.453 1.427 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[N@@H+]2CCC[C@@H](O)C2)CC3)cc1 ZINC000096162062 209128814 /nfs/dbraw/zinc/12/88/14/209128814.db2.gz VFICNHVNYCUCEI-OAHLLOKOSA-N 1 1 370.453 1.427 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC3)cc1 ZINC000096162062 209128816 /nfs/dbraw/zinc/12/88/16/209128816.db2.gz VFICNHVNYCUCEI-OAHLLOKOSA-N 1 1 370.453 1.427 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2ccc(-c3cn[nH]c3)cc2)C1 ZINC000096140511 209121023 /nfs/dbraw/zinc/12/10/23/209121023.db2.gz NWLWIJQUZCFXMN-CQSZACIVSA-N 1 1 356.430 1.396 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCCCO3)c2)C1 ZINC000283717656 182258515 /nfs/dbraw/zinc/25/85/15/182258515.db2.gz UTLCBLYMIKKQPI-QGZVFWFLSA-N 1 1 360.458 1.621 50 0 FDAAMO C[NH+]1CCN(NC(=O)CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000004279734 207010654 /nfs/dbraw/zinc/01/06/54/207010654.db2.gz ZUALJWZKIZWNKB-UHFFFAOYSA-N 1 1 366.421 1.105 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CCCC2)CC1 ZINC000006553366 207146672 /nfs/dbraw/zinc/14/66/72/207146672.db2.gz YFPAGMWYJMEJSF-UHFFFAOYSA-N 1 1 372.469 1.495 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccccc2F)C1 ZINC000007436827 207194949 /nfs/dbraw/zinc/19/49/49/207194949.db2.gz JZDLLQCJLNNMOA-GFCCVEGCSA-N 1 1 351.378 1.749 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccccc2F)C1 ZINC000007436827 207194954 /nfs/dbraw/zinc/19/49/54/207194954.db2.gz JZDLLQCJLNNMOA-GFCCVEGCSA-N 1 1 351.378 1.749 50 0 FDAAMO COCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008981745 207253872 /nfs/dbraw/zinc/25/38/72/207253872.db2.gz IYIPOLJZPULHMG-CQSZACIVSA-N 1 1 363.414 1.067 50 0 FDAAMO COCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008981745 207253874 /nfs/dbraw/zinc/25/38/74/207253874.db2.gz IYIPOLJZPULHMG-CQSZACIVSA-N 1 1 363.414 1.067 50 0 FDAAMO CN(Cc1nccs1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011813828 207321786 /nfs/dbraw/zinc/32/17/86/207321786.db2.gz HVILTUJXHFPZEY-MRXNPFEDSA-N 1 1 372.494 1.535 50 0 FDAAMO CN(Cc1nccs1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011813828 207321789 /nfs/dbraw/zinc/32/17/89/207321789.db2.gz HVILTUJXHFPZEY-MRXNPFEDSA-N 1 1 372.494 1.535 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc2nsnc2c1 ZINC000012297166 207353002 /nfs/dbraw/zinc/35/30/02/207353002.db2.gz AYRIWDKPRDVMPV-HNNXBMFYSA-N 1 1 361.471 1.249 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc2nsnc2c1 ZINC000012297166 207353007 /nfs/dbraw/zinc/35/30/07/207353007.db2.gz AYRIWDKPRDVMPV-HNNXBMFYSA-N 1 1 361.471 1.249 50 0 FDAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)c1 ZINC000012338028 207364349 /nfs/dbraw/zinc/36/43/49/207364349.db2.gz BITFPUFTJLJPFF-GOSISDBHSA-N 1 1 371.485 1.844 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000033923925 208099706 /nfs/dbraw/zinc/09/97/06/208099706.db2.gz ZXXJFGRXHYTOFZ-RDGPPVDQSA-N 1 1 373.412 1.683 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000033923925 208099713 /nfs/dbraw/zinc/09/97/13/208099713.db2.gz ZXXJFGRXHYTOFZ-RDGPPVDQSA-N 1 1 373.412 1.683 50 0 FDAAMO Cc1cc(=O)n2nc(N3CC[NH+](CCOc4ccccc4)CC3)sc2n1 ZINC000040039769 208219737 /nfs/dbraw/zinc/21/97/37/208219737.db2.gz WFXREDMMUBPZSH-UHFFFAOYSA-N 1 1 371.466 1.660 50 0 FDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C)cc1 ZINC000045966636 208344815 /nfs/dbraw/zinc/34/48/15/208344815.db2.gz SCRBOMATWKZENP-UHFFFAOYSA-N 1 1 374.529 1.601 50 0 FDAAMO Cn1c2ccc(CNc3nc(N4CCC[C@H](O)C4)cc[nH+]3)cc2n(C)c1=O ZINC000065398234 208672942 /nfs/dbraw/zinc/67/29/42/208672942.db2.gz CIOUJVWOEVCCEQ-AWEZNQCLSA-N 1 1 368.441 1.240 50 0 FDAAMO C[C@@H](O)CN(C)C(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067967948 208744526 /nfs/dbraw/zinc/74/45/26/208744526.db2.gz RTHXPQKUWUXHMS-MRXNPFEDSA-N 1 1 372.469 1.445 50 0 FDAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068200144 208745311 /nfs/dbraw/zinc/74/53/11/208745311.db2.gz KSTPICXUDWALEJ-GOEBONIOSA-N 1 1 354.447 1.341 50 0 FDAAMO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000068200144 208745315 /nfs/dbraw/zinc/74/53/15/208745315.db2.gz KSTPICXUDWALEJ-GOEBONIOSA-N 1 1 354.447 1.341 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)c(C)n1 ZINC000091847459 209000987 /nfs/dbraw/zinc/00/09/87/209000987.db2.gz VYZZKVLPPBQEDV-MRXNPFEDSA-N 1 1 368.489 1.964 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(F)cc2C)C1 ZINC000091933410 209005285 /nfs/dbraw/zinc/00/52/85/209005285.db2.gz AIVVITRTGRCUNM-CVEARBPZSA-N 1 1 352.450 1.783 50 0 FDAAMO CCNC(=O)c1cccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@]3(C(=O)OC)C2)c1 ZINC000096007900 209094472 /nfs/dbraw/zinc/09/44/72/209094472.db2.gz RXUKZBDGEKHSMX-QRWLVFNGSA-N 1 1 373.453 1.650 50 0 FDAAMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)Cc3ccoc3)CC2)C[C@@H](C)O1 ZINC000547858900 542465801 /nfs/dbraw/zinc/46/58/01/542465801.db2.gz PWHWBJBICYWAMJ-HZPDHXFCSA-N 1 1 350.459 1.939 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)NCCCN1CCCCCC1=O ZINC000095964078 209091611 /nfs/dbraw/zinc/09/16/11/209091611.db2.gz GWSOJNKCTRQHRK-MRXNPFEDSA-N 1 1 361.490 1.498 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)NCCCN1CCCCCC1=O ZINC000095964078 209091615 /nfs/dbraw/zinc/09/16/15/209091615.db2.gz GWSOJNKCTRQHRK-MRXNPFEDSA-N 1 1 361.490 1.498 50 0 FDAAMO CCC[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1Nc1ncccc1C(N)=O ZINC000092020195 209010533 /nfs/dbraw/zinc/01/05/33/209010533.db2.gz CRMYVFNQEPMBFU-HOCLYGCPSA-N 1 1 359.474 1.315 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(Cc2ccc3nsnc3c2)C1 ZINC000092003680 209011372 /nfs/dbraw/zinc/01/13/72/209011372.db2.gz FUABJLILPWXKKB-CVEARBPZSA-N 1 1 364.515 1.700 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)C[C@@H]1CO ZINC000092039007 209012687 /nfs/dbraw/zinc/01/26/87/209012687.db2.gz SQOPLSPHCRDZPD-HZPDHXFCSA-N 1 1 358.438 1.150 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(Cc3nccn3C)C2)n1C ZINC000095355670 209024533 /nfs/dbraw/zinc/02/45/33/209024533.db2.gz SCHANDNJVVZEDR-OAHLLOKOSA-N 1 1 354.462 1.481 50 0 FDAAMO CN(Cc1nc(-c2ccccc2)no1)c1nc(N2CC[C@H](O)C2)cc[nH+]1 ZINC000095356814 209026381 /nfs/dbraw/zinc/02/63/81/209026381.db2.gz XREYLVHAIHZFQG-AWEZNQCLSA-N 1 1 352.398 1.734 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCC(C(=O)N3CCOCC3)CC2)[NH+](C)C)c1 ZINC000095356676 209026392 /nfs/dbraw/zinc/02/63/92/209026392.db2.gz RSEGUYLRCUMEGU-LJQANCHMSA-N 1 1 373.497 1.695 50 0 FDAAMO CN1CC[C@@]2(CN(S(=O)(=O)c3cccc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000095360903 209027850 /nfs/dbraw/zinc/02/78/50/209027850.db2.gz SNMIGDIMABDQPP-QGZVFWFLSA-N 1 1 369.462 1.143 50 0 FDAAMO CN1CC[C@@]2(CN(S(=O)(=O)c3cccc(F)c3)CC[N@H+]2C)CCC1=O ZINC000095360903 209027851 /nfs/dbraw/zinc/02/78/51/209027851.db2.gz SNMIGDIMABDQPP-QGZVFWFLSA-N 1 1 369.462 1.143 50 0 FDAAMO O=C(CCCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095363048 209029324 /nfs/dbraw/zinc/02/93/24/209029324.db2.gz GMSDUZLNOPAPBX-FUHWJXTLSA-N 1 1 354.458 1.576 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(C)sc3n1)C2 ZINC000092080847 209016085 /nfs/dbraw/zinc/01/60/85/209016085.db2.gz IEJITAKSBIHZBH-GOEBONIOSA-N 1 1 362.499 1.607 50 0 FDAAMO Cc1cccc(CC[N@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)n1 ZINC000095385174 209043739 /nfs/dbraw/zinc/04/37/39/209043739.db2.gz ZHVDGCDNXAULAO-WIYYLYMNSA-N 1 1 372.513 1.907 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)c3ccc(COC)o3)CC[N@@H+]2C)CCC1=O ZINC000095370619 209033123 /nfs/dbraw/zinc/03/31/23/209033123.db2.gz UWDZUIIBEFUEHR-IBGZPJMESA-N 1 1 363.458 1.585 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)c3ccc(COC)o3)CC[N@H+]2C)CCC1=O ZINC000095370619 209033128 /nfs/dbraw/zinc/03/31/28/209033128.db2.gz UWDZUIIBEFUEHR-IBGZPJMESA-N 1 1 363.458 1.585 50 0 FDAAMO COc1ccc(-c2cc(-c3nc(CN4CC[NH+](C)CC4)no3)n[nH]2)cc1 ZINC000095371317 209034471 /nfs/dbraw/zinc/03/44/71/209034471.db2.gz NXBIOJNJXFHTRE-UHFFFAOYSA-N 1 1 354.414 1.883 50 0 FDAAMO Cc1nnnn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095383710 209041952 /nfs/dbraw/zinc/04/19/52/209041952.db2.gz PJMHYUKFYPJTBO-FUHWJXTLSA-N 1 1 372.448 1.634 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nc(C(N)=O)no2)C3)cc1 ZINC000095383989 209042086 /nfs/dbraw/zinc/04/20/86/209042086.db2.gz ULYMAQZIXQILTQ-LSDHHAIUSA-N 1 1 371.441 1.274 50 0 FDAAMO COCCn1c2ccc(C(=O)OC)cc2n(C[C@H]2CCCC[N@H+]2C)c1=O ZINC000095384596 209043085 /nfs/dbraw/zinc/04/30/85/209043085.db2.gz BTVMSCDHJONYDA-OAHLLOKOSA-N 1 1 361.442 1.720 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)c3cccc4nccnc43)CC[N@H+]2C)CCC1=O ZINC000095392949 209047219 /nfs/dbraw/zinc/04/72/19/209047219.db2.gz FWGOZQDXDGUGSC-HXUWFJFHSA-N 1 1 367.453 1.399 50 0 FDAAMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)OCc2cccc(OC)c2)CC1 ZINC000095430232 209050061 /nfs/dbraw/zinc/05/00/61/209050061.db2.gz KUQFCOYDXHYSAR-RDJZCZTQSA-N 1 1 350.459 1.515 50 0 FDAAMO COc1ccc(C[NH+]2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)cc1 ZINC000095958427 209090004 /nfs/dbraw/zinc/09/00/04/209090004.db2.gz LNYYOONFFXMBBX-RTBURBONSA-N 1 1 369.465 1.722 50 0 FDAAMO COc1cc([C@]2(C)NC(=O)N(C[NH+]3CCCC3)C2=O)cc(OC)c1OC ZINC000057289873 221085596 /nfs/dbraw/zinc/08/55/96/221085596.db2.gz WPPMSTBBEWZHEL-SFHVURJKSA-N 1 1 363.414 1.533 50 0 FDAAMO CCc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]C2CCCC2)cc1 ZINC000055408856 221069466 /nfs/dbraw/zinc/06/94/66/221069466.db2.gz ULWSEVKOBANOTM-IAGOWNOFSA-N 1 1 371.524 1.721 50 0 FDAAMO O=C(CN1CCCCCC1=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000070007229 221330499 /nfs/dbraw/zinc/33/04/99/221330499.db2.gz OGFQSUMEBYMSOV-UHFFFAOYSA-N 1 1 359.470 1.538 50 0 FDAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)C(C)=O ZINC000095509027 209067962 /nfs/dbraw/zinc/06/79/62/209067962.db2.gz HZRJJDYDYIDXIK-KRWDZBQOSA-N 1 1 358.482 1.930 50 0 FDAAMO CN(CCO)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095512980 209070604 /nfs/dbraw/zinc/07/06/04/209070604.db2.gz WAZYRJFARNNFTB-OAQYLSRUSA-N 1 1 370.493 1.909 50 0 FDAAMO CN(CCO)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095512980 209070608 /nfs/dbraw/zinc/07/06/08/209070608.db2.gz WAZYRJFARNNFTB-OAQYLSRUSA-N 1 1 370.493 1.909 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(CCN2CCOCC2)CC1 ZINC000095512971 209070671 /nfs/dbraw/zinc/07/06/71/209070671.db2.gz YCDAGJNRTSEHER-KRWDZBQOSA-N 1 1 363.506 1.044 50 0 FDAAMO CC[C@H]1CN(C(=O)c2cnc(N3CCN(C)CC3)nc2C)CC[N@H+]1C(C)C ZINC000091663243 132203056 /nfs/dbraw/zinc/20/30/56/132203056.db2.gz XLAYNUAXEDNKDV-KRWDZBQOSA-N 1 1 374.533 1.482 50 0 FDAAMO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](Nc2cc(N)[nH+]cn2)C1 ZINC000091695691 132203392 /nfs/dbraw/zinc/20/33/92/132203392.db2.gz OBOBGJRSYWPVOR-AWEZNQCLSA-N 1 1 369.473 1.936 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2ccc(O)cc2)CC1 ZINC000095365824 132208177 /nfs/dbraw/zinc/20/81/77/132208177.db2.gz LIGPLGRYLTYEHM-KRWDZBQOSA-N 1 1 373.497 1.932 50 0 FDAAMO Cc1cc(N2CCC(N3CCN(c4nccs4)CC3)CC2)nc(N)[nH+]1 ZINC000095376911 132209128 /nfs/dbraw/zinc/20/91/28/132209128.db2.gz ANPWGUUQAZWOII-UHFFFAOYSA-N 1 1 359.503 1.615 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(c2nccnc2OC)C[C@H]1CCO ZINC000107007609 132266550 /nfs/dbraw/zinc/26/65/50/132266550.db2.gz IGDIWKNRJSPUDK-QGZVFWFLSA-N 1 1 372.469 1.957 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(c2nccnc2OC)C[C@H]1CCO ZINC000107007609 132266552 /nfs/dbraw/zinc/26/65/52/132266552.db2.gz IGDIWKNRJSPUDK-QGZVFWFLSA-N 1 1 372.469 1.957 50 0 FDAAMO Cn1cc(C[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)c(-c2ccccc2)n1 ZINC000096449023 132305130 /nfs/dbraw/zinc/30/51/30/132305130.db2.gz ZKICJJFJYBCRIL-UHFFFAOYSA-N 1 1 364.453 1.503 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCc1cnn2ccccc12 ZINC000072120797 136141940 /nfs/dbraw/zinc/14/19/40/136141940.db2.gz SIYBRAOCNIMVLB-UHFFFAOYSA-N 1 1 365.441 1.115 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(c3ccnc(N)n3)C[C@@H]2CCO)c(C)c1C ZINC000072428684 136146682 /nfs/dbraw/zinc/14/66/82/136146682.db2.gz LARHHVBFZCDDOX-KRWDZBQOSA-N 1 1 371.485 1.757 50 0 FDAAMO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCCOCC2)ccc1OC ZINC000095524111 209075746 /nfs/dbraw/zinc/07/57/46/209075746.db2.gz JPQVFSNDKRMQHB-GOSISDBHSA-N 1 1 366.502 1.999 50 0 FDAAMO COc1cc(CN2CCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095529166 209077051 /nfs/dbraw/zinc/07/70/51/209077051.db2.gz DLLXJPZQCSAGLJ-INIZCTEOSA-N 1 1 352.500 1.689 50 0 FDAAMO Cc1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3C[C@@H](C(=O)NC(C)C)[N@@H+](C)C3)c2c1 ZINC000095528862 209077804 /nfs/dbraw/zinc/07/78/04/209077804.db2.gz WSIIXPBDDKAIMV-DYVFJYSZSA-N 1 1 370.453 1.164 50 0 FDAAMO Cc1ccc2[nH]c(=O)cc(C(=O)N[C@@H]3C[C@@H](C(=O)NC(C)C)[N@H+](C)C3)c2c1 ZINC000095528862 209077807 /nfs/dbraw/zinc/07/78/07/209077807.db2.gz WSIIXPBDDKAIMV-DYVFJYSZSA-N 1 1 370.453 1.164 50 0 FDAAMO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000131954872 173217941 /nfs/dbraw/zinc/21/79/41/173217941.db2.gz YBAUBMBVSZURHY-SJORKVTESA-N 1 1 365.499 1.191 50 0 FDAAMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000330182410 259131563 /nfs/dbraw/zinc/13/15/63/259131563.db2.gz OYOLPZAEZDHNHV-GFCCVEGCSA-N 1 1 355.489 1.317 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000004035429 518283608 /nfs/dbraw/zinc/28/36/08/518283608.db2.gz ZSULKJWFWFQWJD-HOTGVXAUSA-N 1 1 359.536 1.429 50 0 FDAAMO CC1=[NH+]N(CCc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000005148024 518332952 /nfs/dbraw/zinc/33/29/52/518332952.db2.gz OSOGPSJOOWPRIL-CYBMUJFWSA-N 1 1 366.425 1.433 50 0 FDAAMO CC[NH+]1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000005195475 518334995 /nfs/dbraw/zinc/33/49/95/518334995.db2.gz JCSNIEWNNVWTSS-CQSZACIVSA-N 1 1 350.850 1.792 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2cc(F)ccc2NC1=O ZINC000005348903 518340653 /nfs/dbraw/zinc/34/06/53/518340653.db2.gz XWLQFAKSDIEBEW-DUBGADTFSA-N 1 1 371.412 1.851 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21c2cc(F)ccc2NC1=O ZINC000005348903 518340660 /nfs/dbraw/zinc/34/06/60/518340660.db2.gz XWLQFAKSDIEBEW-DUBGADTFSA-N 1 1 371.412 1.851 50 0 FDAAMO Cc1ccccc1C[N@@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000007680799 518429628 /nfs/dbraw/zinc/42/96/28/518429628.db2.gz GURJQYULGJCUPO-UHFFFAOYSA-N 1 1 372.469 1.959 50 0 FDAAMO Cc1ccccc1C[N@H+](C)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000007680799 518429631 /nfs/dbraw/zinc/42/96/31/518429631.db2.gz GURJQYULGJCUPO-UHFFFAOYSA-N 1 1 372.469 1.959 50 0 FDAAMO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2C)n(C)c1=O ZINC000008706211 518482705 /nfs/dbraw/zinc/48/27/05/518482705.db2.gz JINZMMMPWCXGBO-UHFFFAOYSA-N 1 1 366.425 1.621 50 0 FDAAMO CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccccc2)n(C)c1=O ZINC000008706233 518482895 /nfs/dbraw/zinc/48/28/95/518482895.db2.gz NWQSQUHDQRYHDS-ZDUSSCGKSA-N 1 1 366.425 1.874 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2[C@@H]1C ZINC000008706180 518483445 /nfs/dbraw/zinc/48/34/45/518483445.db2.gz TYHJOVWDHNACBF-LLVKDONJSA-N 1 1 370.388 1.471 50 0 FDAAMO Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)=[NH+]N4C)n(C)c2=O)cc1 ZINC000010361262 518535734 /nfs/dbraw/zinc/53/57/34/518535734.db2.gz GHRIMWAIBGSBRH-UHFFFAOYSA-N 1 1 352.398 1.079 50 0 FDAAMO Cn1cccc1[C@@H](CNC(=O)C(=O)NCCc1ccccc1)[NH+]1CCCC1 ZINC000011898287 518577012 /nfs/dbraw/zinc/57/70/12/518577012.db2.gz XGIQKPNAJXCMTL-LJQANCHMSA-N 1 1 368.481 1.637 50 0 FDAAMO COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccn1C)[NH+](C)C ZINC000011898980 518577630 /nfs/dbraw/zinc/57/76/30/518577630.db2.gz WQQFGMMPMOKLRV-INIZCTEOSA-N 1 1 358.442 1.069 50 0 FDAAMO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc1 ZINC000011898970 518577711 /nfs/dbraw/zinc/57/77/11/518577711.db2.gz YCCSVWVNDQKVDS-INIZCTEOSA-N 1 1 372.425 1.169 50 0 FDAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CC(C)C)ccc1F ZINC000013371772 518657569 /nfs/dbraw/zinc/65/75/69/518657569.db2.gz RKPQREYRRWFRCF-GJZGRUSLSA-N 1 1 363.476 1.319 50 0 FDAAMO CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1cccnc1)CC2 ZINC000014534332 518692291 /nfs/dbraw/zinc/69/22/91/518692291.db2.gz HGYVYZHZHVKMLZ-UHFFFAOYSA-N 1 1 359.474 1.262 50 0 FDAAMO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)CC1 ZINC000015677438 518731392 /nfs/dbraw/zinc/73/13/92/518731392.db2.gz AGJUWVDBVWTWOL-UHFFFAOYSA-N 1 1 354.454 1.901 50 0 FDAAMO CO[C@H]1CN(Cc2cccnc2)C(=O)C[N@H+](C2Cc3ccccc3C2)C1 ZINC000020137956 518844590 /nfs/dbraw/zinc/84/45/90/518844590.db2.gz MAYNUFRVFJBRHK-HXUWFJFHSA-N 1 1 351.450 1.908 50 0 FDAAMO COc1ccc2c(c1)CCc1c(C(=O)NCCC[NH+]3CCOCC3)noc1-2 ZINC000020137778 518845271 /nfs/dbraw/zinc/84/52/71/518845271.db2.gz WQDGMLXCEULBIX-UHFFFAOYSA-N 1 1 371.437 1.901 50 0 FDAAMO COC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)c2cc(C)ccc2n1C ZINC000020503282 518852070 /nfs/dbraw/zinc/85/20/70/518852070.db2.gz KGNAZOLCOKEIEW-UHFFFAOYSA-N 1 1 358.442 1.459 50 0 FDAAMO Cn1cnc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000021030706 518863137 /nfs/dbraw/zinc/86/31/37/518863137.db2.gz MWKZGQUNZQLXGG-MRXNPFEDSA-N 1 1 374.510 1.879 50 0 FDAAMO COc1cccc(CNC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)c1 ZINC000021638048 518878608 /nfs/dbraw/zinc/87/86/08/518878608.db2.gz HUMQNKSJXSCRSA-UHFFFAOYSA-N 1 1 355.442 1.475 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)N1CCNC1=O ZINC000022926393 518921297 /nfs/dbraw/zinc/92/12/97/518921297.db2.gz RGVMAFSTMOTGQX-UHFFFAOYSA-N 1 1 370.375 1.375 50 0 FDAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(N2CCOCC2)ccn1 ZINC000024061570 518974925 /nfs/dbraw/zinc/97/49/25/518974925.db2.gz SYXRODZHMZRVHS-SFHVURJKSA-N 1 1 366.465 1.923 50 0 FDAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1F ZINC000024958726 519024593 /nfs/dbraw/zinc/02/45/93/519024593.db2.gz VAKGLWXXMPFZAN-CQSZACIVSA-N 1 1 372.396 1.923 50 0 FDAAMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024959506 519026846 /nfs/dbraw/zinc/02/68/46/519026846.db2.gz XZHFGNMDLIECLH-CQSZACIVSA-N 1 1 368.389 1.504 50 0 FDAAMO CC(C)[C@@H](CNC(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000026170262 519104714 /nfs/dbraw/zinc/10/47/14/519104714.db2.gz VHJPGAVFIGVILL-LJQANCHMSA-N 1 1 372.513 1.976 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000027270957 519164957 /nfs/dbraw/zinc/16/49/57/519164957.db2.gz PZSAJDAVPPUMRL-AWEZNQCLSA-N 1 1 351.472 1.488 50 0 FDAAMO Cc1ccccc1OCn1ccc(C(=O)NCCC[NH+]2CCOCC2)n1 ZINC000027972280 519209204 /nfs/dbraw/zinc/20/92/04/519209204.db2.gz CGGQGHHDBQWOAP-UHFFFAOYSA-N 1 1 358.442 1.680 50 0 FDAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000035380437 519606260 /nfs/dbraw/zinc/60/62/60/519606260.db2.gz XEPMBUIGQIHSGV-QYZOEREBSA-N 1 1 373.497 1.527 50 0 FDAAMO C[C@H]1CN(Cc2ccc(CNC(=S)NCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000040087584 519639790 /nfs/dbraw/zinc/63/97/90/519639790.db2.gz YYOGSVHIEFPKAA-HOTGVXAUSA-N 1 1 364.559 1.822 50 0 FDAAMO CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000019840773 519749472 /nfs/dbraw/zinc/74/94/72/519749472.db2.gz VFSSPUDDZGDLHD-UHFFFAOYSA-N 1 1 367.515 1.328 50 0 FDAAMO CCCn1cc(C[N@@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)c(C)n1 ZINC000082116044 521651284 /nfs/dbraw/zinc/65/12/84/521651284.db2.gz MDZJBIYRXVZFSW-UHFFFAOYSA-N 1 1 373.505 1.975 50 0 FDAAMO CCCn1cc(C[N@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)c(C)n1 ZINC000082116044 521651286 /nfs/dbraw/zinc/65/12/86/521651286.db2.gz MDZJBIYRXVZFSW-UHFFFAOYSA-N 1 1 373.505 1.975 50 0 FDAAMO Cc1occc1C(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000056864867 521928834 /nfs/dbraw/zinc/92/88/34/521928834.db2.gz LZVZVZSYPRRIRW-HNNXBMFYSA-N 1 1 362.474 1.787 50 0 FDAAMO O=C1OCCN1CCN1CC[NH+](CCOc2ccc3c(c2)CCC3)CC1 ZINC000069861520 521963284 /nfs/dbraw/zinc/96/32/84/521963284.db2.gz DXWKVIXKRROZOE-UHFFFAOYSA-N 1 1 359.470 1.624 50 0 FDAAMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc(Cl)c1OCC(N)=O ZINC000057553660 522105839 /nfs/dbraw/zinc/10/58/39/522105839.db2.gz MXVTZYKJFHSDFI-NSHDSACASA-N 1 1 367.833 1.179 50 0 FDAAMO Cc1oncc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071415849 522113846 /nfs/dbraw/zinc/11/38/46/522113846.db2.gz SVRRTTQXLIEJDV-INIZCTEOSA-N 1 1 374.485 1.922 50 0 FDAAMO CCOCCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071498620 522114132 /nfs/dbraw/zinc/11/41/32/522114132.db2.gz WNFODZKISPCRLF-IBGZPJMESA-N 1 1 374.529 1.911 50 0 FDAAMO COCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071730435 522119773 /nfs/dbraw/zinc/11/97/73/522119773.db2.gz AMVWFDGYSZOILB-INIZCTEOSA-N 1 1 374.485 1.047 50 0 FDAAMO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071762916 522128795 /nfs/dbraw/zinc/12/87/95/522128795.db2.gz MGHPQSXSDQTLJU-QGZVFWFLSA-N 1 1 370.497 1.811 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000071767458 522129643 /nfs/dbraw/zinc/12/96/43/522129643.db2.gz DUPRCCXVWYBDGA-MRXNPFEDSA-N 1 1 356.470 1.677 50 0 FDAAMO CN1C[C@]2(CCC[N@H+](CCS(=O)(=O)c3ccccc3)CC2)OC1=O ZINC000072133142 522162628 /nfs/dbraw/zinc/16/26/28/522162628.db2.gz WSZBTCTUUGRLKM-QGZVFWFLSA-N 1 1 352.456 1.767 50 0 FDAAMO CN1C[C@]2(CCC[N@@H+](CCS(=O)(=O)c3ccccc3)CC2)OC1=O ZINC000072133142 522162636 /nfs/dbraw/zinc/16/26/36/522162636.db2.gz WSZBTCTUUGRLKM-QGZVFWFLSA-N 1 1 352.456 1.767 50 0 FDAAMO CC[N@@H+](C)[C@@H](C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 ZINC000072134634 522163996 /nfs/dbraw/zinc/16/39/96/522163996.db2.gz NGSVUQRSDCGXKK-AWEZNQCLSA-N 1 1 368.485 1.830 50 0 FDAAMO CCCC[N@H+]1CC[C@H]2N(CC(=O)Nc3cnn(C)c3)CCC[C@]2(CO)C1 ZINC000072137335 522165183 /nfs/dbraw/zinc/16/51/83/522165183.db2.gz PKUXZLVWMCKXRQ-IEBWSBKVSA-N 1 1 363.506 1.308 50 0 FDAAMO O=C(NC[C@]1(O)CCC[N@@H+](C/C=C/c2ccccc2)CC1)N1CCOCC1 ZINC000072145780 522171050 /nfs/dbraw/zinc/17/10/50/522171050.db2.gz IUMJEVRXAFIWNC-VPVJOJIASA-N 1 1 373.497 1.959 50 0 FDAAMO CCCc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)NCc2ccccn2)ccn1 ZINC000072161976 522189058 /nfs/dbraw/zinc/18/90/58/522189058.db2.gz XIMJPKYNLRVHRC-GOSISDBHSA-N 1 1 367.453 1.160 50 0 FDAAMO O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000072164607 522190842 /nfs/dbraw/zinc/19/08/42/522190842.db2.gz QARGTDYMNCMJCE-HNNXBMFYSA-N 1 1 354.410 1.138 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)C1 ZINC000072167911 522197701 /nfs/dbraw/zinc/19/77/01/522197701.db2.gz AEKKSXTVWWIMGK-CQSZACIVSA-N 1 1 353.426 1.058 50 0 FDAAMO COc1ccccc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072170260 522199626 /nfs/dbraw/zinc/19/96/26/522199626.db2.gz NRFBCEDCFIDYPU-OAQYLSRUSA-N 1 1 365.433 1.671 50 0 FDAAMO CCOC(=O)CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)C1CC1 ZINC000058162329 522211802 /nfs/dbraw/zinc/21/18/02/522211802.db2.gz YCMKTWCTKNBAKE-UHFFFAOYSA-N 1 1 354.447 1.206 50 0 FDAAMO CCn1ncnc1C[N@@H+]1CCc2ncnc(NCc3ccon3)c2CC1 ZINC000072422767 522252578 /nfs/dbraw/zinc/25/25/78/522252578.db2.gz CAMYOBODDFCMIV-UHFFFAOYSA-N 1 1 354.418 1.289 50 0 FDAAMO CCn1ncnc1C[N@H+]1CCc2ncnc(NCc3ccon3)c2CC1 ZINC000072422767 522252589 /nfs/dbraw/zinc/25/25/89/522252589.db2.gz CAMYOBODDFCMIV-UHFFFAOYSA-N 1 1 354.418 1.289 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000072423958 522256971 /nfs/dbraw/zinc/25/69/71/522256971.db2.gz WICMUAFWPCRTPW-CQSZACIVSA-N 1 1 362.503 1.483 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000072423958 522256979 /nfs/dbraw/zinc/25/69/79/522256979.db2.gz WICMUAFWPCRTPW-CQSZACIVSA-N 1 1 362.503 1.483 50 0 FDAAMO Cc1nc(CNc2nc(C)nc3c2CC[N@@H+](C[C@H]2CCOC2)CC3)no1 ZINC000072433550 522271948 /nfs/dbraw/zinc/27/19/48/522271948.db2.gz BBPYJDLDTFTLOE-CQSZACIVSA-N 1 1 358.446 1.526 50 0 FDAAMO O=C(c1ccc[nH]c1=O)N1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072463391 522287123 /nfs/dbraw/zinc/28/71/23/522287123.db2.gz SPUVHGPBWQYUTQ-GOSISDBHSA-N 1 1 369.465 1.517 50 0 FDAAMO Cc1nc2c(c(N3CCCN(Cc4cccnc4)CC3)n1)CC[NH2+]CC2 ZINC000072469834 522290926 /nfs/dbraw/zinc/29/09/26/522290926.db2.gz CDWIIAITSGUMMC-UHFFFAOYSA-N 1 1 352.486 1.581 50 0 FDAAMO CCc1ccc(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000065362530 522809780 /nfs/dbraw/zinc/80/97/80/522809780.db2.gz MMOBYIHGYHDQKL-CQSZACIVSA-N 1 1 353.488 1.178 50 0 FDAAMO O=C(Cc1ccccc1F)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000075403622 522914444 /nfs/dbraw/zinc/91/44/44/522914444.db2.gz RVOFDGMSMFCHJR-LJQANCHMSA-N 1 1 373.472 1.913 50 0 FDAAMO O=C(Cc1ccccc1F)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000075403622 522914458 /nfs/dbraw/zinc/91/44/58/522914458.db2.gz RVOFDGMSMFCHJR-LJQANCHMSA-N 1 1 373.472 1.913 50 0 FDAAMO O=C1CC[C@@]2(O)[C@H]3[C@@H](O)c4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000077300747 523289786 /nfs/dbraw/zinc/28/97/86/523289786.db2.gz SPLLFLBLAXVPPQ-AXDKOMKPSA-N 1 1 357.406 1.016 50 0 in-vitro FDAAMO O=C1CC[C@@]2(O)[C@H]3[C@@H](O)c4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000077300747 523289795 /nfs/dbraw/zinc/28/97/95/523289795.db2.gz SPLLFLBLAXVPPQ-AXDKOMKPSA-N 1 1 357.406 1.016 50 0 in-vitro FDAAMO Cc1cnc(CN2C[C@]3(CCC[N@H+](CC(=O)N(C)C)C3)CCC2=O)cn1 ZINC000077322873 523297099 /nfs/dbraw/zinc/29/70/99/523297099.db2.gz JXVUQIHAYXDFBH-LJQANCHMSA-N 1 1 359.474 1.078 50 0 FDAAMO CCN1CC2(CC[NH+](CC(=O)NCCc3ccc(F)cc3)CC2)OC1=O ZINC000077343353 523304885 /nfs/dbraw/zinc/30/48/85/523304885.db2.gz UPCKXCKZPZEYBR-UHFFFAOYSA-N 1 1 363.433 1.791 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077358366 523309895 /nfs/dbraw/zinc/30/98/95/523309895.db2.gz BNQOBDXULIHULE-INIZCTEOSA-N 1 1 362.474 1.033 50 0 FDAAMO Cc1ncccc1OC1(C(=O)NCc2n[nH]c3c2CCC3)CC[NH2+]CC1 ZINC000077408134 523326853 /nfs/dbraw/zinc/32/68/53/523326853.db2.gz YPFVZYQYRCMPHY-UHFFFAOYSA-N 1 1 355.442 1.419 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077407644 523327366 /nfs/dbraw/zinc/32/73/66/523327366.db2.gz HUKINWSZRFVJHI-HXUWFJFHSA-N 1 1 358.486 1.417 50 0 FDAAMO O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000077423702 523331702 /nfs/dbraw/zinc/33/17/02/523331702.db2.gz WFFVLPHUTIYASO-AWEZNQCLSA-N 1 1 353.850 1.745 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1O)c1cccnc1 ZINC000077523646 523371739 /nfs/dbraw/zinc/37/17/39/523371739.db2.gz HDKFUHWKYHQNII-NVXWUHKLSA-N 1 1 367.409 1.430 50 0 FDAAMO CCOc1ccccc1[C@@H]1NC(=O)NC(C[NH+]2CCCC2)=C1C(=O)OC ZINC000067287849 523381380 /nfs/dbraw/zinc/38/13/80/523381380.db2.gz FRTFCAUPWPIHHJ-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000067613276 523517201 /nfs/dbraw/zinc/51/72/01/523517201.db2.gz CUZGROIYTOZHCT-ZDUSSCGKSA-N 1 1 357.451 1.144 50 0 FDAAMO O=C(NC[C@H](O)CO)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067714147 523555910 /nfs/dbraw/zinc/55/59/10/523555910.db2.gz AZCLGVFXEJYZCY-KRWDZBQOSA-N 1 1 373.453 1.212 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NCc1cccnc1N(C)CCc1ccccn1 ZINC000067805317 523588332 /nfs/dbraw/zinc/58/83/32/523588332.db2.gz MWSSPSVNRVKXKO-UHFFFAOYSA-N 1 1 364.453 1.977 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000067821711 523595610 /nfs/dbraw/zinc/59/56/10/523595610.db2.gz ZXIUWYKBDZSKTN-UHFFFAOYSA-N 1 1 354.882 1.707 50 0 FDAAMO Cc1ccc(N2CCC([N@H+](C)[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Cl ZINC000067856430 523610498 /nfs/dbraw/zinc/61/04/98/523610498.db2.gz ZOZOIUCCIYNTAA-IAGOWNOFSA-N 1 1 372.918 1.707 50 0 FDAAMO Cc1ccc(N2CCC([N@@H+](C)[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Cl ZINC000067856430 523610507 /nfs/dbraw/zinc/61/05/07/523610507.db2.gz ZOZOIUCCIYNTAA-IAGOWNOFSA-N 1 1 372.918 1.707 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000067872720 523615956 /nfs/dbraw/zinc/61/59/56/523615956.db2.gz MHEJUBWAWDOFNH-LBPRGKRZSA-N 1 1 361.421 1.071 50 0 FDAAMO CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067920471 523633868 /nfs/dbraw/zinc/63/38/68/523633868.db2.gz CAYPJCRTJJBNSG-INIZCTEOSA-N 1 1 371.485 1.617 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCC([C@]2(CC)NC(=O)NC2=O)CC1 ZINC000067920929 523634185 /nfs/dbraw/zinc/63/41/85/523634185.db2.gz UZIBYKGVHZRNQF-SFHVURJKSA-N 1 1 361.446 1.062 50 0 FDAAMO Cc1nnnn1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000079193234 523721111 /nfs/dbraw/zinc/72/11/11/523721111.db2.gz AXIKWPVEHAWWTN-FUHWJXTLSA-N 1 1 354.458 1.965 50 0 biogenic FDAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000020455439 523772066 /nfs/dbraw/zinc/77/20/66/523772066.db2.gz WSVYCCHENZAMAK-INIZCTEOSA-N 1 1 355.486 1.757 50 0 FDAAMO O=C(CCSc1ccc2c(c1)OCCO2)NCC[N@@H+]1CCC[C@@H](O)C1 ZINC000055270458 523784730 /nfs/dbraw/zinc/78/47/30/523784730.db2.gz CNSMFIAPHUMGAI-CQSZACIVSA-N 1 1 366.483 1.513 50 0 FDAAMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468285 524360689 /nfs/dbraw/zinc/36/06/89/524360689.db2.gz KDCOXQPMYFXHCP-INIZCTEOSA-N 1 1 351.516 1.723 50 0 FDAAMO C[C@H]1C[N@H+](C)CCN1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468285 524360703 /nfs/dbraw/zinc/36/07/03/524360703.db2.gz KDCOXQPMYFXHCP-INIZCTEOSA-N 1 1 351.516 1.723 50 0 FDAAMO C[C@H]1C[N@@H+](C)CCN1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468285 524360708 /nfs/dbraw/zinc/36/07/08/524360708.db2.gz KDCOXQPMYFXHCP-INIZCTEOSA-N 1 1 351.516 1.723 50 0 FDAAMO O=c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc2sccn21 ZINC000085876362 524373329 /nfs/dbraw/zinc/37/33/29/524373329.db2.gz XIGIBFSEBMFGPF-OLZOCXBDSA-N 1 1 354.435 1.537 50 0 biogenic FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]2CO)CC1 ZINC000091391158 524698198 /nfs/dbraw/zinc/69/81/98/524698198.db2.gz AQSREZCVFUBBDG-HZPDHXFCSA-N 1 1 367.440 1.283 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]2CO)CC1 ZINC000091391158 524698210 /nfs/dbraw/zinc/69/82/10/524698210.db2.gz AQSREZCVFUBBDG-HZPDHXFCSA-N 1 1 367.440 1.283 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]2CO)CC1 ZINC000091391158 524698215 /nfs/dbraw/zinc/69/82/15/524698215.db2.gz AQSREZCVFUBBDG-HZPDHXFCSA-N 1 1 367.440 1.283 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCc4ccccc43)C2)C1=O ZINC000091426294 524702478 /nfs/dbraw/zinc/70/24/78/524702478.db2.gz GCTCKGFVPNQQKT-NRFANRHFSA-N 1 1 371.481 1.537 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ncccc2F)CC3)C1 ZINC000091452692 524707264 /nfs/dbraw/zinc/70/72/64/524707264.db2.gz VYGSIVYCZDMFIQ-HNNXBMFYSA-N 1 1 374.460 1.770 50 0 FDAAMO O=S(=O)(N1CCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091504262 524717626 /nfs/dbraw/zinc/71/76/26/524717626.db2.gz NHZJPHNKYABUEP-DLBZAZTESA-N 1 1 350.488 1.318 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1nnc3n1CCCC3)CC2 ZINC000091519263 524719011 /nfs/dbraw/zinc/71/90/11/524719011.db2.gz LLNMIGMBAQMRGT-UHFFFAOYSA-N 1 1 369.473 1.347 50 0 FDAAMO CCN1CC[C@@]2(CN(Cc3noc(CC(C)C)n3)CC[N@H+]2C)CCC1=O ZINC000091605127 524741358 /nfs/dbraw/zinc/74/13/58/524741358.db2.gz MRBYBPSPSYZKCM-LJQANCHMSA-N 1 1 363.506 1.787 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3ccncc3)CC2)n1C ZINC000091636993 524749939 /nfs/dbraw/zinc/74/99/39/524749939.db2.gz WUYPHGZXOANTSS-UHFFFAOYSA-N 1 1 365.441 1.783 50 0 FDAAMO COc1c(C)cccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C1 ZINC000091645703 524752516 /nfs/dbraw/zinc/75/25/16/524752516.db2.gz KDKGQEKDQYBLIP-IAGOWNOFSA-N 1 1 363.502 1.178 50 0 FDAAMO COc1c(C)cccc1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091645703 524752523 /nfs/dbraw/zinc/75/25/23/524752523.db2.gz KDKGQEKDQYBLIP-IAGOWNOFSA-N 1 1 363.502 1.178 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)CC1 ZINC000091693781 524761268 /nfs/dbraw/zinc/76/12/68/524761268.db2.gz BQXKQNXFAAOGBB-QGZVFWFLSA-N 1 1 368.485 1.873 50 0 FDAAMO O=C(CCc1cc(Cl)no1)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091713921 524766098 /nfs/dbraw/zinc/76/60/98/524766098.db2.gz VRQFIZFQRINTOF-ZIAGYGMSSA-N 1 1 371.865 1.050 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@@H]1CO ZINC000091713682 524767890 /nfs/dbraw/zinc/76/78/90/524767890.db2.gz ADBJEVNMAPPYPI-QZTJIDSGSA-N 1 1 372.465 1.804 50 0 FDAAMO CC(=O)c1cc(CN2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cs1 ZINC000091746151 524772883 /nfs/dbraw/zinc/77/28/83/524772883.db2.gz XAMSFLJGDXYMLN-QZTJIDSGSA-N 1 1 365.543 1.629 50 0 FDAAMO Cn1cccc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091746544 524774062 /nfs/dbraw/zinc/77/40/62/524774062.db2.gz ASYKNXAMDPMEAV-MRXNPFEDSA-N 1 1 358.486 1.574 50 0 FDAAMO CN(CCC(=O)N[C@H]1C[N@H+](C2CCCC2)C[C@@H]1C1CC1)S(C)(=O)=O ZINC000091819199 524791560 /nfs/dbraw/zinc/79/15/60/524791560.db2.gz HAGVRLGSENTMGC-CVEARBPZSA-N 1 1 357.520 1.037 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000175391058 524955109 /nfs/dbraw/zinc/95/51/09/524955109.db2.gz XPQJDTYOKPIBNU-CYBMUJFWSA-N 1 1 351.476 1.382 50 0 FDAAMO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000106106316 525595038 /nfs/dbraw/zinc/59/50/38/525595038.db2.gz BSZOQVAIRDVUKC-DSJMHWKBSA-N 1 1 356.488 1.932 50 0 FDAAMO CC[N@@H+](CCO)CCNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000170597585 525639638 /nfs/dbraw/zinc/63/96/38/525639638.db2.gz PCBVZQGWKOIUQP-UHFFFAOYSA-N 1 1 373.247 1.264 50 0 FDAAMO Cc1cc(CN2CCN(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)CC2)on1 ZINC000133707703 526084256 /nfs/dbraw/zinc/08/42/56/526084256.db2.gz DSXDPLBYPYXYMR-QGZVFWFLSA-N 1 1 363.506 1.788 50 0 FDAAMO O=C(CCn1cncn1)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082161005 526687521 /nfs/dbraw/zinc/68/75/21/526687521.db2.gz NTSKVQOWUISTHD-UHFFFAOYSA-N 1 1 371.489 1.720 50 0 FDAAMO O=C(c1cccc(-n2cnnc2)c1)N1CC[NH+](CCn2cccc2)CC1 ZINC000091594307 526748801 /nfs/dbraw/zinc/74/88/01/526748801.db2.gz QHOMHYYUMKYHIK-UHFFFAOYSA-N 1 1 350.426 1.527 50 0 FDAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2)N1CCOCC1 ZINC000091365309 526820732 /nfs/dbraw/zinc/82/07/32/526820732.db2.gz IFVLWXOYEOVOLW-LEWJYISDSA-N 1 1 371.525 1.874 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000020615772 527671940 /nfs/dbraw/zinc/67/19/40/527671940.db2.gz PFESZSYLXZFEMY-UHFFFAOYSA-N 1 1 352.822 1.630 50 0 FDAAMO CCNc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071757165 535527438 /nfs/dbraw/zinc/52/74/38/535527438.db2.gz AYGULAPQJMBJLM-OAHLLOKOSA-N 1 1 372.517 1.868 50 0 FDAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186635650 536239403 /nfs/dbraw/zinc/23/94/03/536239403.db2.gz SFYGDLMHUZKRAX-MRXNPFEDSA-N 1 1 368.437 1.686 50 0 FDAAMO COc1ccccc1N1CCN(c2cc([C@@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000299788276 537071355 /nfs/dbraw/zinc/07/13/55/537071355.db2.gz TYEWYTXZMLBJDF-CQSZACIVSA-N 1 1 355.442 1.898 50 0 FDAAMO CCOC(=O)C[C@H](Sc1ncnc2c1C[N@@H+](C)CC2)C(=O)OCC ZINC000280349308 537400980 /nfs/dbraw/zinc/40/09/80/537400980.db2.gz WMWUZWKFMCCFPY-ZDUSSCGKSA-N 1 1 353.444 1.442 50 0 FDAAMO COc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1Cn1cncn1 ZINC000215438874 537437084 /nfs/dbraw/zinc/43/70/84/537437084.db2.gz DFGISKGKECFQDI-SFHVURJKSA-N 1 1 357.414 1.409 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000217173588 537454367 /nfs/dbraw/zinc/45/43/67/537454367.db2.gz FAHTXRZZZOQCDX-QGZVFWFLSA-N 1 1 369.469 1.072 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000217173588 537454376 /nfs/dbraw/zinc/45/43/76/537454376.db2.gz FAHTXRZZZOQCDX-QGZVFWFLSA-N 1 1 369.469 1.072 50 0 FDAAMO CC(C)(CN1CCn2nc([C@H](O)c3ccccc3)cc2C1)[NH+]1CCOCC1 ZINC000218888860 537467980 /nfs/dbraw/zinc/46/79/80/537467980.db2.gz HABFONATBZRFHA-HXUWFJFHSA-N 1 1 370.497 1.891 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219292071 537473074 /nfs/dbraw/zinc/47/30/74/537473074.db2.gz KYKWRPBFALUHPU-AWEZNQCLSA-N 1 1 364.833 1.505 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000219292071 537473081 /nfs/dbraw/zinc/47/30/81/537473081.db2.gz KYKWRPBFALUHPU-AWEZNQCLSA-N 1 1 364.833 1.505 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)NCC2(c3cccc(F)c3)CCOCC2)CC1 ZINC000219324289 537474852 /nfs/dbraw/zinc/47/48/52/537474852.db2.gz XEKVWTVQPDFBGV-UHFFFAOYSA-N 1 1 363.477 1.628 50 0 FDAAMO CC[NH+](CC)CCC(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000223182749 537518511 /nfs/dbraw/zinc/51/85/11/537518511.db2.gz MJMVHVSTCIBACB-UHFFFAOYSA-N 1 1 369.469 1.792 50 0 FDAAMO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2ccc(C(N)=O)s2)cn1 ZINC000225416629 537546959 /nfs/dbraw/zinc/54/69/59/537546959.db2.gz YXONTNZBGHJRQE-KBPBESRZSA-N 1 1 365.478 1.625 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1c2ccccc2N(C(C)C)C1=O ZINC000230093112 537576581 /nfs/dbraw/zinc/57/65/81/537576581.db2.gz LLDXMDVEDYEZEE-YOEHRIQHSA-N 1 1 372.469 1.199 50 0 FDAAMO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CSc2nncn2C)C1 ZINC000299776819 537594289 /nfs/dbraw/zinc/59/42/89/537594289.db2.gz MAKUVSLPJYFJKP-OAHLLOKOSA-N 1 1 359.499 1.854 50 0 FDAAMO COc1cc(C(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c2ccccc2n1 ZINC000244734461 537651619 /nfs/dbraw/zinc/65/16/19/537651619.db2.gz NFUUDQAWFZZWFJ-ROUUACIJSA-N 1 1 371.437 1.151 50 0 FDAAMO COc1cc(C(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c2ccccc2n1 ZINC000244734461 537651622 /nfs/dbraw/zinc/65/16/22/537651622.db2.gz NFUUDQAWFZZWFJ-ROUUACIJSA-N 1 1 371.437 1.151 50 0 FDAAMO Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244816904 537653384 /nfs/dbraw/zinc/65/33/84/537653384.db2.gz SQSJNISLWYPGTH-QZTJIDSGSA-N 1 1 369.469 1.669 50 0 FDAAMO Cc1nc(C(C)C)ncc1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244816904 537653389 /nfs/dbraw/zinc/65/33/89/537653389.db2.gz SQSJNISLWYPGTH-QZTJIDSGSA-N 1 1 369.469 1.669 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)C1 ZINC000426666932 538119963 /nfs/dbraw/zinc/11/99/63/538119963.db2.gz CWPLECCCVYXJQA-LBPRGKRZSA-N 1 1 372.425 1.145 50 0 FDAAMO O=C(NCc1ccc2nc[nH]c2c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000584885749 551564560 /nfs/dbraw/zinc/56/45/60/551564560.db2.gz QEGSGAIDJBISIT-INIZCTEOSA-N 1 1 357.458 1.817 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000426503250 570613336 /nfs/dbraw/zinc/61/33/36/570613336.db2.gz IYQQLRLRNZBOEW-MRXNPFEDSA-N 1 1 364.465 1.626 50 0 FDAAMO CCN(C(=O)CC[N@H+]1CCCN(S(C)(=O)=O)CC1)c1ccccc1 ZINC000244874775 571118681 /nfs/dbraw/zinc/11/86/81/571118681.db2.gz XHDQAVMEUHBKJQ-UHFFFAOYSA-N 1 1 353.488 1.397 50 0 FDAAMO CN(C)S(=O)(=O)CCCN1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000244887873 571119452 /nfs/dbraw/zinc/11/94/52/571119452.db2.gz YPXILGAORMIDBE-UHFFFAOYSA-N 1 1 365.543 1.443 50 0 FDAAMO Cn1c2ccccc2cc(CN2CC[N@@H+](CC3CC3)[C@H](CCO)C2)c1=O ZINC000252483285 571131857 /nfs/dbraw/zinc/13/18/57/571131857.db2.gz DYLORSDCTRKWPZ-LJQANCHMSA-N 1 1 355.482 1.817 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)CCn3c(C)cccc3=O)C2)[nH+]c(N)n1 ZINC000252532909 571134079 /nfs/dbraw/zinc/13/40/79/571134079.db2.gz FLEBTROADNFGEO-BETUJISGSA-N 1 1 356.430 1.023 50 0 FDAAMO Cc1ccc(-c2noc(CNc3cc([C@@H]4CCOC4)[nH+]c(N)n3)n2)cc1 ZINC000426707197 571138626 /nfs/dbraw/zinc/13/86/26/571138626.db2.gz LPLUEXBVGKJVKO-CYBMUJFWSA-N 1 1 352.398 1.955 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@H](O)C1 ZINC000299773741 571196483 /nfs/dbraw/zinc/19/64/83/571196483.db2.gz FNNGGCPENYDMPC-IAGOWNOFSA-N 1 1 369.425 1.533 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@H](O)C1 ZINC000299773741 571196485 /nfs/dbraw/zinc/19/64/85/571196485.db2.gz FNNGGCPENYDMPC-IAGOWNOFSA-N 1 1 369.425 1.533 50 0 FDAAMO CCc1cc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)ccn1 ZINC000091859363 571197351 /nfs/dbraw/zinc/19/73/51/571197351.db2.gz OLWSMRXKADQKPF-HXUWFJFHSA-N 1 1 358.486 1.803 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2Cl)[C@H](O)C1 ZINC000299782640 571198559 /nfs/dbraw/zinc/19/85/59/571198559.db2.gz XFTVAIOAUJTPFN-CHWSQXEVSA-N 1 1 374.268 1.247 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2Cl)[C@H](O)C1 ZINC000299782640 571198562 /nfs/dbraw/zinc/19/85/62/571198562.db2.gz XFTVAIOAUJTPFN-CHWSQXEVSA-N 1 1 374.268 1.247 50 0 FDAAMO COc1cc(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc(OC)c1OC ZINC000299786932 571199615 /nfs/dbraw/zinc/19/96/15/571199615.db2.gz YGOAADDTGPQRSJ-YOEHRIQHSA-N 1 1 360.414 1.650 50 0 FDAAMO COc1cc(C[N@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc(OC)c1OC ZINC000299786932 571199619 /nfs/dbraw/zinc/19/96/19/571199619.db2.gz YGOAADDTGPQRSJ-YOEHRIQHSA-N 1 1 360.414 1.650 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCOCc1ccc(Cl)cc1 ZINC000299788992 571200115 /nfs/dbraw/zinc/20/01/15/571200115.db2.gz VTBLKOQJHGICFA-OAHLLOKOSA-N 1 1 353.850 1.183 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCOCc1ccc(Cl)cc1 ZINC000299788992 571200116 /nfs/dbraw/zinc/20/01/16/571200116.db2.gz VTBLKOQJHGICFA-OAHLLOKOSA-N 1 1 353.850 1.183 50 0 FDAAMO O=C(CC[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1)NCc1ccccc1F ZINC000299788778 571200127 /nfs/dbraw/zinc/20/01/27/571200127.db2.gz XICDBANRQMOYSG-DLBZAZTESA-N 1 1 359.405 1.269 50 0 FDAAMO CN1CC[C@H]([N@@H+](C)CCC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000299792670 571201216 /nfs/dbraw/zinc/20/12/16/571201216.db2.gz GOZPZCPZYNYPJB-IBGZPJMESA-N 1 1 355.486 1.557 50 0 FDAAMO CN(CCC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000299792670 571201219 /nfs/dbraw/zinc/20/12/19/571201219.db2.gz GOZPZCPZYNYPJB-IBGZPJMESA-N 1 1 355.486 1.557 50 0 FDAAMO CN(CCC(=O)NCCc1cnn(-c2ccccc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000299792670 571201222 /nfs/dbraw/zinc/20/12/22/571201222.db2.gz GOZPZCPZYNYPJB-IBGZPJMESA-N 1 1 355.486 1.557 50 0 FDAAMO CN(Cc1[nH]nc2c1CCC2)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000299801209 571203343 /nfs/dbraw/zinc/20/33/43/571203343.db2.gz WFTZJCCRULCNIZ-LBPRGKRZSA-N 1 1 358.446 1.233 50 0 FDAAMO CN(C)C1(CNC(=O)N2CCN(c3ccccc3)C(=O)C2)CC[NH+](C)CC1 ZINC000426387806 571218401 /nfs/dbraw/zinc/21/84/01/571218401.db2.gz FFDHUIRRNOCHMM-UHFFFAOYSA-N 1 1 373.501 1.071 50 0 FDAAMO COc1cc(-c2ccc(C(=O)NCCCn3cc[nH+]c3C)cc2)nc(N)n1 ZINC000426392749 571219027 /nfs/dbraw/zinc/21/90/27/571219027.db2.gz IMPYTCYWYOBFCK-UHFFFAOYSA-N 1 1 366.425 2.059 50 0 FDAAMO COc1ccc(CN(C)C(=O)[C@@H](C)N2CC[NH+](C)CC2)c2cccnc12 ZINC000426399085 571220059 /nfs/dbraw/zinc/22/00/59/571220059.db2.gz UWVPVNMNASDGEG-OAHLLOKOSA-N 1 1 356.470 1.838 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426422796 571223342 /nfs/dbraw/zinc/22/33/42/571223342.db2.gz FZCLKQCPGMPZCN-AWEZNQCLSA-N 1 1 356.474 1.611 50 0 FDAAMO COc1ccccc1OC1CN(C(=O)NCCC[N@H+]2CCC[C@H](O)C2)C1 ZINC000426432068 571224731 /nfs/dbraw/zinc/22/47/31/571224731.db2.gz VLTBTWQMWIHRLH-HNNXBMFYSA-N 1 1 363.458 1.315 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3[nH]nc4c3CN(C)CC4)cc2C1 ZINC000426684401 571235064 /nfs/dbraw/zinc/23/50/64/571235064.db2.gz KHYGRZKCUIONBG-UHFFFAOYSA-N 1 1 371.489 1.140 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](CCCn2cccn2)C1 ZINC000426707447 571236016 /nfs/dbraw/zinc/23/60/16/571236016.db2.gz PZYBZKJTKQKHRY-KRWDZBQOSA-N 1 1 373.505 1.114 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC000670458311 571355444 /nfs/dbraw/zinc/35/54/44/571355444.db2.gz WWNPUPFGNMBKAI-GFCCVEGCSA-N 1 1 369.443 1.170 50 0 FDAAMO NC(=O)NCCC[C@H](N)C(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000670458536 571355701 /nfs/dbraw/zinc/35/57/01/571355701.db2.gz OQFCBSMYFINGRU-HNNXBMFYSA-N 1 1 353.511 1.067 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2csc(N3CCCC3=O)n2)C1 ZINC000046880550 671017364 /nfs/dbraw/zinc/01/73/64/671017364.db2.gz PVEGYBYDAQWFOV-CYBMUJFWSA-N 1 1 350.488 1.661 50 0 FDAAMO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1CO ZINC000257178806 672629877 /nfs/dbraw/zinc/62/98/77/672629877.db2.gz CCLBRGVPUXZVCE-SWLSCSKDSA-N 1 1 358.360 1.904 50 0 FDAAMO CC(C)n1cc[nH+]c1Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O ZINC000264374344 672910418 /nfs/dbraw/zinc/91/04/18/672910418.db2.gz MOEOYUZAVZACPL-UHFFFAOYSA-N 1 1 350.444 1.459 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]c(=O)cn1)CC2 ZINC000091665494 775874569 /nfs/dbraw/zinc/87/45/69/775874569.db2.gz WAZQENXPZAQTSI-UHFFFAOYSA-N 1 1 370.457 1.139 50 0 FDAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](CO)[C@H](C(=O)N(C)C)C2)cc1 ZINC000257177974 793854851 /nfs/dbraw/zinc/85/48/51/793854851.db2.gz YPXNNPQBGIIDPQ-DOTOQJQBSA-N 1 1 358.442 1.214 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)C1CCCC1)CC2 ZINC000257178091 793857731 /nfs/dbraw/zinc/85/77/31/793857731.db2.gz FSSVBVLUWJWMGP-QGZVFWFLSA-N 1 1 363.502 1.348 50 0 FDAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)Cc1ccccc1F)CC2 ZINC000169782064 864522348 /nfs/dbraw/zinc/52/23/48/864522348.db2.gz ZKKOYNDFZIXKCK-QGZVFWFLSA-N 1 1 364.461 1.548 50 0 FDAAMO CC[N@@H+](CCn1cccn1)[C@H]1CN(C(=O)Nc2ccccc2C)C[C@@H]1O ZINC000012431906 881954470 /nfs/dbraw/zinc/95/44/70/881954470.db2.gz GROSOYSAKULYOI-ROUUACIJSA-N 1 1 357.458 1.791 50 0 FDAAMO CC[NH+]1CCC(CC(=O)NCc2cccnc2N2CCN(C)CC2)CC1 ZINC000012439788 881994743 /nfs/dbraw/zinc/99/47/43/881994743.db2.gz AHYYQAABDFYDHB-UHFFFAOYSA-N 1 1 359.518 1.572 50 0 FDAAMO O=C(c1cc(COc2ccc3c(c2)OCO3)[nH]n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000012299878 877910912 /nfs/dbraw/zinc/91/09/12/877910912.db2.gz DBJCMJKRLSIXIK-CQSZACIVSA-N 1 1 370.409 1.638 50 0 FDAAMO O=C(c1cc(COc2ccc3c(c2)OCO3)n[nH]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012299878 877910927 /nfs/dbraw/zinc/91/09/27/877910927.db2.gz DBJCMJKRLSIXIK-CQSZACIVSA-N 1 1 370.409 1.638 50 0 FDAAMO O=C(c1cc(COc2ccc3c(c2)OCO3)n[nH]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000012299878 877910929 /nfs/dbraw/zinc/91/09/29/877910929.db2.gz DBJCMJKRLSIXIK-CQSZACIVSA-N 1 1 370.409 1.638 50 0 FDAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)Cn1cncn1 ZINC000012573678 887120533 /nfs/dbraw/zinc/12/05/33/887120533.db2.gz FZKDPFIYAIOQLL-INIZCTEOSA-N 1 1 359.449 1.830 50 0 FDAAMO Cc1nc(C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)n(-c2cccnc2)n1 ZINC000825292043 923569185 /nfs/dbraw/zinc/56/91/85/923569185.db2.gz LYBFFTKMIREQET-MRXNPFEDSA-N 1 1 361.471 1.337 50 0 FDAAMO CC[N@@H+](C1CN(C(=O)c2ccc(OC)nc2OC)C1)C1CCN(C)CC1 ZINC000581799412 927584660 /nfs/dbraw/zinc/58/46/60/927584660.db2.gz ZVFRKAGPTPCLJP-UHFFFAOYSA-N 1 1 362.474 1.339 50 0 FDAAMO CCN(C1CN(C(=O)c2ccc(OC)nc2OC)C1)C1CC[NH+](C)CC1 ZINC000581799412 927584664 /nfs/dbraw/zinc/58/46/64/927584664.db2.gz ZVFRKAGPTPCLJP-UHFFFAOYSA-N 1 1 362.474 1.339 50 0 FDAAMO COCCn1c(C)c[nH+]c1C[C@@H]1CCCN(C(=O)c2cc(C)n(C)n2)C1 ZINC000581816312 927611530 /nfs/dbraw/zinc/61/15/30/927611530.db2.gz SIQXERHHBUCLJY-INIZCTEOSA-N 1 1 359.474 1.975 50 0 FDAAMO CC[C@H](C)Cc1nc(C2CC[NH+](CC(N)=O)CC2)n(CC(C)(C)O)n1 ZINC000952869164 960209840 /nfs/dbraw/zinc/20/98/40/960209840.db2.gz DSMQLTCGDNRKHF-ZDUSSCGKSA-N 1 1 351.495 1.302 50 0 FDAAMO Cc1ccc(CN(C)CC(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1 ZINC000952977065 960273690 /nfs/dbraw/zinc/27/36/90/960273690.db2.gz JDHRZFULDYIQFN-FQEVSTJZSA-N 1 1 361.530 1.978 50 0 FDAAMO CCc1ncnc(N2CCC3(CC2)C[N@@H+](C[C@@H]2CCOC2)CCO3)c1F ZINC000952977385 960275123 /nfs/dbraw/zinc/27/51/23/960275123.db2.gz QGMDGTRCIVSHPV-HNNXBMFYSA-N 1 1 364.465 1.886 50 0 FDAAMO O=C(Cn1cccnc1=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000952979183 960278907 /nfs/dbraw/zinc/27/89/07/960278907.db2.gz HRGGXPDVSCCLPZ-UHFFFAOYSA-N 1 1 369.425 1.306 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000952979727 960279855 /nfs/dbraw/zinc/27/98/55/960279855.db2.gz PHDHHKLHUUZYRJ-LBPRGKRZSA-N 1 1 369.443 1.122 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000952981331 960294083 /nfs/dbraw/zinc/29/40/83/960294083.db2.gz SQJKUFFZXSQPFV-LLVKDONJSA-N 1 1 361.339 1.658 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000952983706 960302329 /nfs/dbraw/zinc/30/23/29/960302329.db2.gz WPQNRNWZJNZMMX-JTQLQIEISA-N 1 1 361.339 1.658 50 0 FDAAMO O=C(Nc1ncn(C2CCCCC2)n1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000133597460 991987146 /nfs/dbraw/zinc/98/71/46/991987146.db2.gz RBFPJADTBAJOAK-OAHLLOKOSA-N 1 1 362.478 1.969 50 0 FDAAMO COc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000043741224 1006692307 /nfs/dbraw/zinc/69/23/07/1006692307.db2.gz SYUDRJAFDXATKU-IXDOHACOSA-N 1 1 370.449 1.716 50 0 FDAAMO COCCn1nnnc1[C@@H]1C[N@H+](Cc2cccc3ncccc23)CCO1 ZINC000215998277 209648241 /nfs/dbraw/zinc/64/82/41/209648241.db2.gz ZEEOBGJLVAZDNL-KRWDZBQOSA-N 1 1 354.414 1.441 50 0 FDAAMO COCCn1nnnc1[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000215998277 209648244 /nfs/dbraw/zinc/64/82/44/209648244.db2.gz ZEEOBGJLVAZDNL-KRWDZBQOSA-N 1 1 354.414 1.441 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cnn(CCC(N)=O)c2)c1 ZINC000534661148 540396392 /nfs/dbraw/zinc/39/63/92/540396392.db2.gz PWULWBSOWPYTRP-SFHVURJKSA-N 1 1 369.469 1.640 50 0 FDAAMO Cn1cc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)n1 ZINC000107400216 209275382 /nfs/dbraw/zinc/27/53/82/209275382.db2.gz MBGAUVAHUMDRSV-OAQYLSRUSA-N 1 1 367.497 1.873 50 0 FDAAMO Cn1cc(C[N@@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)n1 ZINC000107400216 209275384 /nfs/dbraw/zinc/27/53/84/209275384.db2.gz MBGAUVAHUMDRSV-OAQYLSRUSA-N 1 1 367.497 1.873 50 0 FDAAMO Cn1cc(C[N@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)c(-c2ccccc2)n1 ZINC000107400216 209275392 /nfs/dbraw/zinc/27/53/92/209275392.db2.gz MBGAUVAHUMDRSV-OAQYLSRUSA-N 1 1 367.497 1.873 50 0 FDAAMO C[N@H+]1CCN(Cc2ccc(C(F)(F)F)nc2)C[C@@]12CCNC(=O)CC2 ZINC000107400843 209275210 /nfs/dbraw/zinc/27/52/10/209275210.db2.gz RUKGGEQKDZUCIC-MRXNPFEDSA-N 1 1 356.392 1.887 50 0 FDAAMO C[N@H+]1CCN(Cc2ccccc2Cn2cccn2)C[C@@]12CCNC(=O)CC2 ZINC000107412456 209274965 /nfs/dbraw/zinc/27/49/65/209274965.db2.gz LNEFDGBGAXAZQJ-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@@]12CCNC(=O)CC2 ZINC000107412456 209274969 /nfs/dbraw/zinc/27/49/69/209274969.db2.gz LNEFDGBGAXAZQJ-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@@]12CCNC(=O)CC2 ZINC000107412456 209274972 /nfs/dbraw/zinc/27/49/72/209274972.db2.gz LNEFDGBGAXAZQJ-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ccnc(CC)c2)C[N@H+]1C1CCOCC1 ZINC000097637980 209190072 /nfs/dbraw/zinc/19/00/72/209190072.db2.gz FRZXAMFRKLCQPL-WMZOPIPTSA-N 1 1 374.485 1.132 50 0 FDAAMO C[C@@H](CCNC(=O)c1cnc(Nc2ccccc2)nc1)N1CC[NH+](C)CC1 ZINC000097742849 209195330 /nfs/dbraw/zinc/19/53/30/209195330.db2.gz NQSNCYFTNSGVHR-INIZCTEOSA-N 1 1 368.485 1.976 50 0 FDAAMO O=C(NCCOc1ccccc1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000097743611 209194093 /nfs/dbraw/zinc/19/40/93/209194093.db2.gz WXCHUDVEHPZEFF-INIZCTEOSA-N 1 1 366.483 1.081 50 0 FDAAMO C[NH+]1CCN(C2(CNC(=O)c3cc(=O)[nH]c4ccccc43)CCCC2)CC1 ZINC000097635078 209190239 /nfs/dbraw/zinc/19/02/39/209190239.db2.gz CROISEFZFGFJGR-UHFFFAOYSA-N 1 1 368.481 1.818 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 ZINC000097402398 209180565 /nfs/dbraw/zinc/18/05/65/209180565.db2.gz RBQKTTVSXKEPGO-OAHLLOKOSA-N 1 1 350.434 1.604 50 0 FDAAMO COc1cccc2c1OCC(CN1CC[NH+](CCn3cncn3)CC1)=C2 ZINC000097217423 209175997 /nfs/dbraw/zinc/17/59/97/209175997.db2.gz NWOBOJVBYRJWIB-UHFFFAOYSA-N 1 1 355.442 1.380 50 0 FDAAMO COc1cc(NC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)cc(-n2cnnn2)c1 ZINC000096139516 209120488 /nfs/dbraw/zinc/12/04/88/209120488.db2.gz NXNYQLBTEYBAMG-CYBMUJFWSA-N 1 1 371.445 1.761 50 0 FDAAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)CN1C(=O)CNC1=O)CC2 ZINC000096138397 209119539 /nfs/dbraw/zinc/11/95/39/209119539.db2.gz NWSHYEWCNPWEAS-INIZCTEOSA-N 1 1 370.453 1.019 50 0 FDAAMO O=C(CC[N@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12)NCc1ccccc1F ZINC000299760959 206635730 /nfs/dbraw/zinc/63/57/30/206635730.db2.gz SGCFTHGUEAQHAN-IRXDYDNUSA-N 1 1 359.405 1.269 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937441 207179892 /nfs/dbraw/zinc/17/98/92/207179892.db2.gz BOJMYTRSKYSVQU-AWEZNQCLSA-N 1 1 367.453 1.868 50 0 FDAAMO CC1=[NH+]N(C(C)C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 ZINC000008725051 207245393 /nfs/dbraw/zinc/24/53/93/207245393.db2.gz FCGUYMTZCQGQGH-UHFFFAOYSA-N 1 1 366.425 1.549 50 0 FDAAMO C[N@H+](CCOc1ccc(F)cc1)CC(=O)NC(=O)NCC(F)(F)F ZINC000008745816 207246658 /nfs/dbraw/zinc/24/66/58/207246658.db2.gz HWZFARRIAGGFJP-UHFFFAOYSA-N 1 1 351.300 1.524 50 0 FDAAMO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)NC(=O)NCC(F)(F)F ZINC000008745816 207246662 /nfs/dbraw/zinc/24/66/62/207246662.db2.gz HWZFARRIAGGFJP-UHFFFAOYSA-N 1 1 351.300 1.524 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2CC[C@H](O)C2)nc1 ZINC000012317865 207360600 /nfs/dbraw/zinc/36/06/00/207360600.db2.gz MXMOUGKZZLTYTM-INIZCTEOSA-N 1 1 357.458 1.793 50 0 FDAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000023374397 207845397 /nfs/dbraw/zinc/84/53/97/207845397.db2.gz BCYQMEQWAORJHE-FQEVSTJZSA-N 1 1 358.530 1.447 50 0 FDAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023374397 207845402 /nfs/dbraw/zinc/84/54/02/207845402.db2.gz BCYQMEQWAORJHE-FQEVSTJZSA-N 1 1 358.530 1.447 50 0 FDAAMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)N1c2ccccc2CCCC1=O ZINC000033249660 208077949 /nfs/dbraw/zinc/07/79/49/208077949.db2.gz RTPGSFIXMIWHJO-QGZVFWFLSA-N 1 1 372.513 1.498 50 0 FDAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000035426932 208123442 /nfs/dbraw/zinc/12/34/42/208123442.db2.gz BAUVBXLDNZRGPD-OAOYMFHYSA-N 1 1 373.497 1.527 50 0 FDAAMO Cn1nnnc1-c1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000043937156 208309102 /nfs/dbraw/zinc/30/91/02/208309102.db2.gz OALSHNGDYBUHIX-CQSZACIVSA-N 1 1 355.402 1.895 50 0 FDAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000043125060 208302314 /nfs/dbraw/zinc/30/23/14/208302314.db2.gz IJJJAEGTJWZCDO-QGZVFWFLSA-N 1 1 364.490 1.788 50 0 FDAAMO O=C(Cc1nc2ncccn2n1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000045878167 208339481 /nfs/dbraw/zinc/33/94/81/208339481.db2.gz WTZWXKKSUREYHW-UHFFFAOYSA-N 1 1 368.416 1.540 50 0 FDAAMO O=C(Cc1nc2ncccn2n1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000045878167 208339487 /nfs/dbraw/zinc/33/94/87/208339487.db2.gz WTZWXKKSUREYHW-UHFFFAOYSA-N 1 1 368.416 1.540 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097622 208431536 /nfs/dbraw/zinc/43/15/36/208431536.db2.gz JZAMMKGUBLFKCB-LBPRGKRZSA-N 1 1 350.419 1.016 50 0 FDAAMO Cc1cc(N2CCCC2)n2nc(C[NH+]3CCC4(CC3)OCCO4)nc2n1 ZINC000065311543 208663815 /nfs/dbraw/zinc/66/38/15/208663815.db2.gz CRZHEYWGQYVQFZ-UHFFFAOYSA-N 1 1 358.446 1.372 50 0 biogenic FDAAMO CC[N@@H+](Cc1cccc(C(=O)Nc2c(C)cnn2C)c1)[C@H]1COC[C@@H]1O ZINC000065386162 208671909 /nfs/dbraw/zinc/67/19/09/208671909.db2.gz BOXUCMSMLMEAEB-IRXDYDNUSA-N 1 1 358.442 1.562 50 0 FDAAMO Cc1ccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000067620558 208711723 /nfs/dbraw/zinc/71/17/23/208711723.db2.gz OGIZWRPVYVQDML-UHFFFAOYSA-N 1 1 355.442 1.772 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)NCCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091914708 209003621 /nfs/dbraw/zinc/00/36/21/209003621.db2.gz JARJKEKUJRFPHF-FQEVSTJZSA-N 1 1 358.486 1.567 50 0 FDAAMO CN(C)C(=O)NCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091755463 208994840 /nfs/dbraw/zinc/99/48/40/208994840.db2.gz NBBSXQFYRUKJFE-SFHVURJKSA-N 1 1 372.513 1.986 50 0 FDAAMO CCc1ccc(C[N@H+]2C[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](C(C)C)C2)nc1 ZINC000091997545 209008642 /nfs/dbraw/zinc/00/86/42/209008642.db2.gz QPAAIIHTFNNMGW-SJORKVTESA-N 1 1 358.486 1.482 50 0 FDAAMO CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(Cc2nc(C)no2)CC1 ZINC000092020157 209011392 /nfs/dbraw/zinc/01/13/92/209011392.db2.gz OACKNCMJYNOZCG-UHFFFAOYSA-N 1 1 370.461 1.922 50 0 FDAAMO COCCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1cc[nH+]c1C)CC2 ZINC000092038988 209013294 /nfs/dbraw/zinc/01/32/94/209013294.db2.gz FZKLAMOKUDEOBY-HNNXBMFYSA-N 1 1 362.474 1.630 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(c2nc(C)nc3ccsc32)C[C@@H]1CO ZINC000092078537 209016858 /nfs/dbraw/zinc/01/68/58/209016858.db2.gz HFXRGXNFBOAROF-ZIAGYGMSSA-N 1 1 350.488 1.623 50 0 FDAAMO Nc1nnc(CCCNC(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)s1 ZINC000095355104 209024199 /nfs/dbraw/zinc/02/41/99/209024199.db2.gz VRDCQOZVUULSMG-LBPRGKRZSA-N 1 1 353.492 1.060 50 0 FDAAMO NC(=O)NCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095365738 209030512 /nfs/dbraw/zinc/03/05/12/209030512.db2.gz HFQWFZPQDCPBQE-CSMYWGQOSA-N 1 1 364.396 1.022 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)NCc3cccs3)CC[N@H+]2C)CCC1=O ZINC000095358028 209025988 /nfs/dbraw/zinc/02/59/88/209025988.db2.gz NRRPORNRACGYJO-QGZVFWFLSA-N 1 1 350.488 1.586 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC[N@H+]2C)CCC1=O ZINC000095360925 209027120 /nfs/dbraw/zinc/02/71/20/209027120.db2.gz YFBAVYYEIIXPBS-OAHLLOKOSA-N 1 1 373.379 1.197 50 0 FDAAMO Cn1c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2nc1N1CCOCC1 ZINC000095359894 209027931 /nfs/dbraw/zinc/02/79/31/209027931.db2.gz MPVSDDRBWSWBAU-INIZCTEOSA-N 1 1 369.469 1.330 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccc(O)c2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000095364423 209031470 /nfs/dbraw/zinc/03/14/70/209031470.db2.gz OZXPXFKOCMGXTE-OAQYLSRUSA-N 1 1 371.481 1.941 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)[nH]n1 ZINC000095371149 209034843 /nfs/dbraw/zinc/03/48/43/209034843.db2.gz MNPMMCYGUDCDKR-LJQANCHMSA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n[nH]1 ZINC000095371149 209034846 /nfs/dbraw/zinc/03/48/46/209034846.db2.gz MNPMMCYGUDCDKR-LJQANCHMSA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n[nH]1 ZINC000095371149 209034851 /nfs/dbraw/zinc/03/48/51/209034851.db2.gz MNPMMCYGUDCDKR-LJQANCHMSA-N 1 1 359.474 1.267 50 0 FDAAMO C[C@@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000095373756 209035519 /nfs/dbraw/zinc/03/55/19/209035519.db2.gz YHSYLACUMAKTFA-INIZCTEOSA-N 1 1 366.465 1.746 50 0 FDAAMO CN(C)c1ccc(CC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000095375621 209036163 /nfs/dbraw/zinc/03/61/63/209036163.db2.gz YCMQCTSIIILOGH-NRFANRHFSA-N 1 1 372.513 1.450 50 0 FDAAMO CN1CC[C@]2(CN(Cc3ccc4c(c3)OCCO4)CC[N@H+]2C)CCC1=O ZINC000095375068 209037761 /nfs/dbraw/zinc/03/77/61/209037761.db2.gz OMKKPVFWGLBFLA-FQEVSTJZSA-N 1 1 359.470 1.586 50 0 FDAAMO Cc1cc(C)n(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)c(=O)n1 ZINC000095380420 209040694 /nfs/dbraw/zinc/04/06/94/209040694.db2.gz WDGOTQIDTZJQDR-INIZCTEOSA-N 1 1 358.442 1.482 50 0 FDAAMO COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000095501473 209062694 /nfs/dbraw/zinc/06/26/94/209062694.db2.gz CTHOXILROQYZCQ-ZDUSSCGKSA-N 1 1 364.446 1.886 50 0 FDAAMO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1)C1CCS(=O)(=O)CC1 ZINC000095503523 209063584 /nfs/dbraw/zinc/06/35/84/209063584.db2.gz MFUXKTFGBSZNNJ-CQSZACIVSA-N 1 1 354.472 1.527 50 0 FDAAMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1)C1CCS(=O)(=O)CC1 ZINC000095503523 209063586 /nfs/dbraw/zinc/06/35/86/209063586.db2.gz MFUXKTFGBSZNNJ-CQSZACIVSA-N 1 1 354.472 1.527 50 0 FDAAMO Cc1cccc2c1ncn(CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c2=O ZINC000055404828 221069955 /nfs/dbraw/zinc/06/99/55/221069955.db2.gz LQTGMLRULLWKLO-GOEBONIOSA-N 1 1 356.470 1.942 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095509240 209067013 /nfs/dbraw/zinc/06/70/13/209067013.db2.gz ICCFHQSBSMXSGA-DZGCQCFKSA-N 1 1 373.482 1.552 50 0 FDAAMO O=C(CN1CCc2ccccc21)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095509991 209069615 /nfs/dbraw/zinc/06/96/15/209069615.db2.gz DGTKYQXAPDCISK-FQEVSTJZSA-N 1 1 365.477 1.754 50 0 FDAAMO Nc1cc[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)n1 ZINC000077553743 132189094 /nfs/dbraw/zinc/18/90/94/132189094.db2.gz ZJCSCRTYCJTAGD-SFHVURJKSA-N 1 1 355.446 1.234 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CC[N@H+](C)[C@@H]3CCN(C)C3)CC2=O)cc1 ZINC000082157618 132197652 /nfs/dbraw/zinc/19/76/52/132197652.db2.gz SCNRUTPIZHBZPO-GOSISDBHSA-N 1 1 358.486 1.196 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CCN(C)[C@@H]3CC[N@H+](C)C3)CC2=O)cc1 ZINC000082157618 132197654 /nfs/dbraw/zinc/19/76/54/132197654.db2.gz SCNRUTPIZHBZPO-GOSISDBHSA-N 1 1 358.486 1.196 50 0 FDAAMO Cc1ccc(N2CCN(C(=O)CCN(C)[C@@H]3CC[N@@H+](C)C3)CC2=O)cc1 ZINC000082157618 132197655 /nfs/dbraw/zinc/19/76/55/132197655.db2.gz SCNRUTPIZHBZPO-GOSISDBHSA-N 1 1 358.486 1.196 50 0 FDAAMO CCS(=O)(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)[nH+]2)CC1 ZINC000082230460 132197994 /nfs/dbraw/zinc/19/79/94/132197994.db2.gz WFTAGYIMMAHHAG-UHFFFAOYSA-N 1 1 364.475 1.059 50 0 FDAAMO CCn1c(Cn2cccn2)nnc1C1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000091460194 132201841 /nfs/dbraw/zinc/20/18/41/132201841.db2.gz RRYIEGRAHHANIJ-UHFFFAOYSA-N 1 1 353.434 1.299 50 0 FDAAMO CC1(C)Cc2nc(N3CCOCC3)ncc2[C@H](Nc2nc(N)cc[nH+]2)C1 ZINC000091931941 132204845 /nfs/dbraw/zinc/20/48/45/132204845.db2.gz MMPWOCITXXYLEX-CYBMUJFWSA-N 1 1 355.446 1.811 50 0 FDAAMO COCc1noc(C[NH2+]C2CCN(c3ncnc4ccsc43)CC2)n1 ZINC000096163974 132221611 /nfs/dbraw/zinc/22/16/11/132221611.db2.gz XFBRBVMONKMTOZ-UHFFFAOYSA-N 1 1 360.443 1.979 50 0 FDAAMO C[NH+]1CCN(c2ccc(C(=O)N3CCC(c4nc[nH]n4)CC3)cc2)CC1 ZINC000215590562 132270315 /nfs/dbraw/zinc/27/03/15/132270315.db2.gz WRGXQZMZLJFKGA-UHFFFAOYSA-N 1 1 354.458 1.576 50 0 FDAAMO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC000221413078 132276772 /nfs/dbraw/zinc/27/67/72/132276772.db2.gz GRIDCKIYDACDGV-GOSISDBHSA-N 1 1 372.473 1.095 50 0 FDAAMO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC000221413078 132276773 /nfs/dbraw/zinc/27/67/73/132276773.db2.gz GRIDCKIYDACDGV-GOSISDBHSA-N 1 1 372.473 1.095 50 0 FDAAMO c1cc2c(nc[nH+]c2N[C@@H]2C[C@H](c3cc(N4CCOCC4)ncn3)C2)[nH]1 ZINC000244795314 132291070 /nfs/dbraw/zinc/29/10/70/132291070.db2.gz RDWJSQNVBFJRJP-BETUJISGSA-N 1 1 351.414 1.943 50 0 FDAAMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000004058194 132386324 /nfs/dbraw/zinc/38/63/24/132386324.db2.gz UWBQHZKARFQCON-RCCFBDPRSA-N 1 1 356.470 1.125 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)C2CCN(c3nccc(C)n3)CC2)CC1 ZINC000065001721 136134392 /nfs/dbraw/zinc/13/43/92/136134392.db2.gz NQZZMRBJWWSQON-UHFFFAOYSA-N 1 1 374.533 1.145 50 0 FDAAMO O[C@@H]1CCCN(c2cc[nH+]c(N3CCC(Oc4ccncc4)CC3)n2)C1 ZINC000065462106 136136631 /nfs/dbraw/zinc/13/66/31/136136631.db2.gz IPCNVQRFEQQDNE-OAHLLOKOSA-N 1 1 355.442 1.881 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1)N1CCOCC1 ZINC000071419522 136139191 /nfs/dbraw/zinc/13/91/91/136139191.db2.gz PEIRIBSPXLKARZ-INIZCTEOSA-N 1 1 359.474 1.016 50 0 FDAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(c2cc(NCCO)[nH+]cn2)C1 ZINC000071552083 136139458 /nfs/dbraw/zinc/13/94/58/136139458.db2.gz VUQCILNAEBLAQV-AWEZNQCLSA-N 1 1 370.409 1.709 50 0 FDAAMO COc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071748353 136140052 /nfs/dbraw/zinc/14/00/52/136140052.db2.gz MQXFRDPSFGHTNY-MRXNPFEDSA-N 1 1 373.501 1.788 50 0 FDAAMO C[C@@H]1CCc2cc(F)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C[C@@H](O)[C@@H](O)C[C@@H]2C1 ZINC000072130953 136142207 /nfs/dbraw/zinc/14/22/07/136142207.db2.gz FYTVDJUDCOKMHI-UMILVCPXSA-N 1 1 362.445 1.557 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000072421483 136146118 /nfs/dbraw/zinc/14/61/18/136146118.db2.gz PKXUEKUDLSTRIQ-CQSZACIVSA-N 1 1 356.478 1.557 50 0 FDAAMO C[NH+]1CCN(CCCNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 ZINC000095523685 209074129 /nfs/dbraw/zinc/07/41/29/209074129.db2.gz YRSXNBZXRVQEKG-UHFFFAOYSA-N 1 1 369.469 1.303 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000095529325 209077069 /nfs/dbraw/zinc/07/70/69/209077069.db2.gz ADPRFDRMWOOWSA-UHFFFAOYSA-N 1 1 371.485 1.611 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000095529325 209077072 /nfs/dbraw/zinc/07/70/72/209077072.db2.gz ADPRFDRMWOOWSA-UHFFFAOYSA-N 1 1 371.485 1.611 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)CC1 ZINC000095528594 209077113 /nfs/dbraw/zinc/07/71/13/209077113.db2.gz ZGTCKRHFCMOKIJ-UHFFFAOYSA-N 1 1 353.470 1.599 50 0 FDAAMO C[N@@H+]1CCCN(CC(=O)N2CCc3nc(-c4ccccc4)[nH]c3C2)CC1 ZINC000095528594 209077118 /nfs/dbraw/zinc/07/71/18/209077118.db2.gz ZGTCKRHFCMOKIJ-UHFFFAOYSA-N 1 1 353.470 1.599 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N2CCc3nc(-c4ccccc4)[nH]c3C2)CC1 ZINC000095528594 209077120 /nfs/dbraw/zinc/07/71/20/209077120.db2.gz ZGTCKRHFCMOKIJ-UHFFFAOYSA-N 1 1 353.470 1.599 50 0 FDAAMO O=C(c1cnc(-c2ncccn2)s1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000329543492 259100805 /nfs/dbraw/zinc/10/08/05/259100805.db2.gz FMIGSUFOAZKIFC-ZDUSSCGKSA-N 1 1 359.455 1.394 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC ZINC000000848839 518222428 /nfs/dbraw/zinc/22/24/28/518222428.db2.gz PKIIOZAICIYOSN-CQSZACIVSA-N 1 1 362.474 1.934 50 0 FDAAMO CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000002861107 518252152 /nfs/dbraw/zinc/25/21/52/518252152.db2.gz JZBPQVQUXVPEQO-SECBINFHSA-N 1 1 361.427 1.937 50 0 FDAAMO CC[NH+]1CCN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)CC1 ZINC000006664018 518380754 /nfs/dbraw/zinc/38/07/54/518380754.db2.gz KVLXDQMNABWRSO-UHFFFAOYSA-N 1 1 372.860 1.915 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccs1 ZINC000007420982 518420345 /nfs/dbraw/zinc/42/03/45/518420345.db2.gz MGQGRZFOFYLXHO-NSHDSACASA-N 1 1 353.469 1.855 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cccs1 ZINC000007420982 518420351 /nfs/dbraw/zinc/42/03/51/518420351.db2.gz MGQGRZFOFYLXHO-NSHDSACASA-N 1 1 353.469 1.855 50 0 FDAAMO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCN(C)CC3)nc2)C1 ZINC000011766591 518571815 /nfs/dbraw/zinc/57/18/15/518571815.db2.gz GRCIIBUSTQNLLJ-QGZVFWFLSA-N 1 1 359.518 1.541 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(N3CCN(C)CC3)nc2)C1 ZINC000011766591 518571821 /nfs/dbraw/zinc/57/18/21/518571821.db2.gz GRCIIBUSTQNLLJ-QGZVFWFLSA-N 1 1 359.518 1.541 50 0 FDAAMO CN(C)S(=O)(=O)c1ccc(-c2csc(N3CC[NH+](C)CC3)n2)cc1 ZINC000012614353 518625421 /nfs/dbraw/zinc/62/54/21/518625421.db2.gz ZFUICTJZSDVMPE-UHFFFAOYSA-N 1 1 366.512 1.812 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@@H+]3CCNC(=O)C3(C)C)C2=O)c1 ZINC000012704920 518628562 /nfs/dbraw/zinc/62/85/62/518628562.db2.gz FMYJXPJWZYQQCH-HXUWFJFHSA-N 1 1 359.470 1.059 50 0 FDAAMO Cc1cccc(CN2CCC[C@@](O)(C[N@H+]3CCNC(=O)C3(C)C)C2=O)c1 ZINC000012704920 518628568 /nfs/dbraw/zinc/62/85/68/518628568.db2.gz FMYJXPJWZYQQCH-HXUWFJFHSA-N 1 1 359.470 1.059 50 0 FDAAMO COc1ccccc1-n1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)cn1 ZINC000012719068 518630165 /nfs/dbraw/zinc/63/01/65/518630165.db2.gz PUJWETGAKSAOQR-IEBWSBKVSA-N 1 1 372.469 1.148 50 0 FDAAMO COc1ccccc1-n1cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H](O)C2)cn1 ZINC000012719068 518630172 /nfs/dbraw/zinc/63/01/72/518630172.db2.gz PUJWETGAKSAOQR-IEBWSBKVSA-N 1 1 372.469 1.148 50 0 FDAAMO COc1ccccc1-n1cc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H](O)C2)cn1 ZINC000012719068 518630178 /nfs/dbraw/zinc/63/01/78/518630178.db2.gz PUJWETGAKSAOQR-IEBWSBKVSA-N 1 1 372.469 1.148 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012907708 518642445 /nfs/dbraw/zinc/64/24/45/518642445.db2.gz BJOLMTUPOLLNBJ-OAHLLOKOSA-N 1 1 367.515 1.931 50 0 FDAAMO O=C(CNC(=O)NCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012984291 518646793 /nfs/dbraw/zinc/64/67/93/518646793.db2.gz IIWYVIIZIMESIO-UHFFFAOYSA-N 1 1 366.465 1.830 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713648 518667967 /nfs/dbraw/zinc/66/79/67/518667967.db2.gz DXKSINPJWYZAMX-MRXNPFEDSA-N 1 1 353.488 1.314 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016040809 518740765 /nfs/dbraw/zinc/74/07/65/518740765.db2.gz SAPOOFFLLWATKE-TVFCKZIOSA-N 1 1 359.385 1.687 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016040809 518740769 /nfs/dbraw/zinc/74/07/69/518740769.db2.gz SAPOOFFLLWATKE-TVFCKZIOSA-N 1 1 359.385 1.687 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@@H+](C)CCC3CCOCC3)C2)cc1 ZINC000019300380 518807832 /nfs/dbraw/zinc/80/78/32/518807832.db2.gz IGTWCMCLWGIHAQ-OALUTQOASA-N 1 1 362.470 1.629 50 0 FDAAMO CCOc1ccc(N([C@H](C)C(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000019533427 518815971 /nfs/dbraw/zinc/81/59/71/518815971.db2.gz RZXLJQQOZLAWAX-CQSZACIVSA-N 1 1 369.487 1.014 50 0 FDAAMO CCCC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccc(CC)cc1 ZINC000019820899 518837073 /nfs/dbraw/zinc/83/70/73/518837073.db2.gz YNILANWCUMEALI-HZPDHXFCSA-N 1 1 359.513 1.578 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000019868844 518839719 /nfs/dbraw/zinc/83/97/19/518839719.db2.gz HSLGLCQRRRZPRP-CQSZACIVSA-N 1 1 371.528 1.313 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N3CC[C@H](COC)C3)Cc3ccccc3C2)CC1 ZINC000020515593 518850522 /nfs/dbraw/zinc/85/05/22/518850522.db2.gz QBPUXUNWVJBRNN-SFHVURJKSA-N 1 1 371.525 1.656 50 0 FDAAMO CCN1CC[NH+](C2(C(=O)N3CC[C@H](COC)C3)Cc3ccccc3C2)CC1 ZINC000020515593 518850526 /nfs/dbraw/zinc/85/05/26/518850526.db2.gz QBPUXUNWVJBRNN-SFHVURJKSA-N 1 1 371.525 1.656 50 0 FDAAMO C[C@H]1CCc2sc3nc(N4CC[NH+](CCO)CC4)n4ncnc4c3c2C1 ZINC000020477967 518851195 /nfs/dbraw/zinc/85/11/95/518851195.db2.gz LRXRJCKEVIFXLW-LBPRGKRZSA-N 1 1 372.498 1.578 50 0 FDAAMO O[C@H]1[C@H]([NH+]2CCOCC2)c2ccccc2C12CCN(c1ncccn1)CC2 ZINC000020868504 518859940 /nfs/dbraw/zinc/85/99/40/518859940.db2.gz YSUUFROIVSRPFE-MOPGFXCFSA-N 1 1 366.465 1.763 50 0 FDAAMO COCCn1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1=O ZINC000022611110 518905215 /nfs/dbraw/zinc/90/52/15/518905215.db2.gz DGTLZPHAYMROFY-UHFFFAOYSA-N 1 1 370.453 1.238 50 0 FDAAMO CNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022787818 518912680 /nfs/dbraw/zinc/91/26/80/518912680.db2.gz YVGLXBZYHMYTTL-ZDUSSCGKSA-N 1 1 360.483 1.863 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)NC(=O)Nc1ccccc1F ZINC000022876294 518918345 /nfs/dbraw/zinc/91/83/45/518918345.db2.gz GUWXPSNFKJRKGA-AWEZNQCLSA-N 1 1 364.421 1.270 50 0 FDAAMO O=c1n2ccccc2nn1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023249328 518938752 /nfs/dbraw/zinc/93/87/52/518938752.db2.gz QPQVOUWXNYCHSJ-UHFFFAOYSA-N 1 1 365.437 1.206 50 0 FDAAMO C[C@@H](OC(=O)c1cccn1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023486133 518955131 /nfs/dbraw/zinc/95/51/31/518955131.db2.gz FNMMWWYBUIEOOG-MRXNPFEDSA-N 1 1 355.438 1.915 50 0 FDAAMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023642205 518960965 /nfs/dbraw/zinc/96/09/65/518960965.db2.gz XMFQUHKMCRCQPY-NSHDSACASA-N 1 1 373.379 1.457 50 0 FDAAMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023642205 518960973 /nfs/dbraw/zinc/96/09/73/518960973.db2.gz XMFQUHKMCRCQPY-NSHDSACASA-N 1 1 373.379 1.457 50 0 FDAAMO CNC(=O)NC(=O)[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000023717883 518963143 /nfs/dbraw/zinc/96/31/43/518963143.db2.gz GXDSCCPRBKSWLV-RHSMWYFYSA-N 1 1 355.394 1.613 50 0 FDAAMO CCCCOC[C@@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000020807832 520799298 /nfs/dbraw/zinc/79/92/98/520799298.db2.gz SZGZECNJOSGQQZ-MOPGFXCFSA-N 1 1 364.486 1.474 50 0 FDAAMO CC[N@H+]1CCC[C@@H](c2cn(Cc3ccc4c(c3)n(C)c(=O)n4C)nn2)C1 ZINC000091595808 521627841 /nfs/dbraw/zinc/62/78/41/521627841.db2.gz CMOIXJAIYLSDEI-OAHLLOKOSA-N 1 1 354.458 1.716 50 0 FDAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]C3CC3)cc2OC)CC1 ZINC000020997320 521686789 /nfs/dbraw/zinc/68/67/89/521686789.db2.gz YNQYEHUVGLAQSO-SFHVURJKSA-N 1 1 363.502 1.324 50 0 FDAAMO COc1ccc(/C=C(\C(=O)N2CC[NH+](C)CC2)n2ccccc2=O)cc1 ZINC000057541651 522107370 /nfs/dbraw/zinc/10/73/70/522107370.db2.gz DNBDQQPXAOMZGK-OBGWFSINSA-N 1 1 353.422 1.629 50 0 FDAAMO Cc1nnnn1-c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000071286090 522108234 /nfs/dbraw/zinc/10/82/34/522108234.db2.gz ZRXYUAHZDXIMKG-UHFFFAOYSA-N 1 1 362.437 1.929 50 0 FDAAMO CC[C@@H]1C[N@@H+](Cc2c(C)[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccccc1 ZINC000071749014 522123185 /nfs/dbraw/zinc/12/31/85/522123185.db2.gz QBUFJPVCLDBRSY-MRXNPFEDSA-N 1 1 370.453 1.385 50 0 FDAAMO Cc1nnc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)o1 ZINC000071760353 522126855 /nfs/dbraw/zinc/12/68/55/522126855.db2.gz GNRZFQMUXUTWTN-INIZCTEOSA-N 1 1 361.490 1.677 50 0 FDAAMO CC[C@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccccc1 ZINC000071763578 522130982 /nfs/dbraw/zinc/13/09/82/522130982.db2.gz NSEHRMUFRBXLJN-INIZCTEOSA-N 1 1 356.426 1.076 50 0 FDAAMO O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000072129474 522158856 /nfs/dbraw/zinc/15/88/56/522158856.db2.gz FRCRDXFWZCSIIY-CYBMUJFWSA-N 1 1 361.396 1.915 50 0 FDAAMO O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000072129474 522158864 /nfs/dbraw/zinc/15/88/64/522158864.db2.gz FRCRDXFWZCSIIY-CYBMUJFWSA-N 1 1 361.396 1.915 50 0 FDAAMO CN(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 ZINC000072144141 522170180 /nfs/dbraw/zinc/17/01/80/522170180.db2.gz YAUWNCJTMBDESS-MRXNPFEDSA-N 1 1 359.474 1.622 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 ZINC000072144141 522170190 /nfs/dbraw/zinc/17/01/90/522170190.db2.gz YAUWNCJTMBDESS-MRXNPFEDSA-N 1 1 359.474 1.622 50 0 FDAAMO NC(=O)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(F)cc3F)C2)C1=O ZINC000072152905 522181166 /nfs/dbraw/zinc/18/11/66/522181166.db2.gz SAMSKXPQBRCEIL-FQEVSTJZSA-N 1 1 371.387 1.940 50 0 FDAAMO CN(C)C(=O)NCC(=O)N(C)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072153070 522181640 /nfs/dbraw/zinc/18/16/40/522181640.db2.gz YTQFJKWUMRRAGC-KRWDZBQOSA-N 1 1 358.486 1.348 50 0 FDAAMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000057941822 522191021 /nfs/dbraw/zinc/19/10/21/522191021.db2.gz ANUUSDAMJBBMOF-OALUTQOASA-N 1 1 364.486 1.369 50 0 FDAAMO Cc1cc(NC(=O)CSCC(=O)N2CC[NH+](CC3CC3)CC2)no1 ZINC000072272940 522206437 /nfs/dbraw/zinc/20/64/37/522206437.db2.gz AIUNVTDFFVITKC-UHFFFAOYSA-N 1 1 352.460 1.209 50 0 FDAAMO O=C1CCCN1CC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072418176 522248922 /nfs/dbraw/zinc/24/89/22/522248922.db2.gz WMRUCNBJULVXFK-NRFANRHFSA-N 1 1 370.497 1.909 50 0 FDAAMO NC(=O)C1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058341678 522249170 /nfs/dbraw/zinc/24/91/70/522249170.db2.gz PIDDIIBBNSDQAI-QGZVFWFLSA-N 1 1 358.486 1.806 50 0 FDAAMO Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3[NH2+]CCc4nc[nH]c43)n2)c1 ZINC000072430160 522266023 /nfs/dbraw/zinc/26/60/23/522266023.db2.gz QZFQRHGLXYGITI-MRXNPFEDSA-N 1 1 352.398 1.614 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000072475209 522295047 /nfs/dbraw/zinc/29/50/47/522295047.db2.gz BZEMKCGUTDHRSF-INIZCTEOSA-N 1 1 371.489 1.004 50 0 FDAAMO COc1ccccc1OC[C@H](O)C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000061721207 522489043 /nfs/dbraw/zinc/48/90/43/522489043.db2.gz GJUNVTIHRHHSHZ-MRXNPFEDSA-N 1 1 358.442 1.437 50 0 FDAAMO CCc1nnc(CN2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)o1 ZINC000091303879 522729359 /nfs/dbraw/zinc/72/93/59/522729359.db2.gz UOISZDRRXCOWFB-UHFFFAOYSA-N 1 1 370.461 1.693 50 0 FDAAMO O[C@@H]1CCN(c2ccnc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)C1 ZINC000065403573 522814220 /nfs/dbraw/zinc/81/42/20/522814220.db2.gz HBELWTCZSOSXGZ-ZLHKHBAESA-N 1 1 365.481 1.883 50 0 FDAAMO C[N@@H+](CCCNS(C)(=O)=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000065553035 522838168 /nfs/dbraw/zinc/83/81/68/522838168.db2.gz BLNFMKJPYWYLMH-KBPBESRZSA-N 1 1 367.298 1.823 50 0 FDAAMO C[C@@](O)(CNC(=O)c1cccn1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000075092744 522876706 /nfs/dbraw/zinc/87/67/06/522876706.db2.gz JZFNIKCUURDBAB-HXUWFJFHSA-N 1 1 357.454 1.349 50 0 FDAAMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000075849796 522976591 /nfs/dbraw/zinc/97/65/91/522976591.db2.gz WCBKKLUCWPXTKS-CQSZACIVSA-N 1 1 363.483 1.441 50 0 FDAAMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000084733469 522997403 /nfs/dbraw/zinc/99/74/03/522997403.db2.gz JJZXTHDFEXEUID-MRXNPFEDSA-N 1 1 361.446 1.137 50 0 FDAAMO CS(=O)(=O)N1CCN(C(=O)C[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000052244774 523145441 /nfs/dbraw/zinc/14/54/41/523145441.db2.gz QMZVJNDMDJFAJF-UHFFFAOYSA-N 1 1 357.520 1.135 50 0 FDAAMO COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCCCC[N@H+]2C)CC1 ZINC000077341999 523301148 /nfs/dbraw/zinc/30/11/48/523301148.db2.gz QBRPTHYCAVMTAY-QGZVFWFLSA-N 1 1 359.470 1.854 50 0 FDAAMO COc1ccccc1-n1cc(CN2CC[NH+](CCn3cncn3)CC2)cn1 ZINC000077375844 523311400 /nfs/dbraw/zinc/31/14/00/523311400.db2.gz PVVMWHXPPBXMRS-UHFFFAOYSA-N 1 1 367.457 1.290 50 0 FDAAMO Fc1ccc(-c2n[nH]cc2CN2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000077436275 523335172 /nfs/dbraw/zinc/33/51/72/523335172.db2.gz OGEKSMMCFBCHNJ-UHFFFAOYSA-N 1 1 355.421 1.625 50 0 FDAAMO Fc1ccc(-c2n[nH]cc2C[NH+]2CCN(CCn3cncn3)CC2)cc1 ZINC000077436275 523335178 /nfs/dbraw/zinc/33/51/78/523335178.db2.gz OGEKSMMCFBCHNJ-UHFFFAOYSA-N 1 1 355.421 1.625 50 0 FDAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3ccc(C(=O)OC)o3)C2)CCC1=O ZINC000077470957 523353038 /nfs/dbraw/zinc/35/30/38/523353038.db2.gz OMIPCCDVTZDPBZ-IBGZPJMESA-N 1 1 364.442 1.917 50 0 FDAAMO COc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1 ZINC000077535329 523376135 /nfs/dbraw/zinc/37/61/35/523376135.db2.gz IQSNXXWKAAMODY-SJLPKXTDSA-N 1 1 359.401 1.595 50 0 FDAAMO COc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1 ZINC000077535329 523376143 /nfs/dbraw/zinc/37/61/43/523376143.db2.gz IQSNXXWKAAMODY-SJLPKXTDSA-N 1 1 359.401 1.595 50 0 FDAAMO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCOCC2)C1=O ZINC000020686140 523421799 /nfs/dbraw/zinc/42/17/99/523421799.db2.gz GOZQNVGYOAPGMC-MRXNPFEDSA-N 1 1 361.442 1.029 50 0 FDAAMO CN1CCC[C@@](O)(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)C1=O ZINC000067434053 523448159 /nfs/dbraw/zinc/44/81/59/523448159.db2.gz AHWGTASPYGEFDU-LJQANCHMSA-N 1 1 374.510 1.792 50 0 FDAAMO CNC(=O)C[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067446572 523456119 /nfs/dbraw/zinc/45/61/19/523456119.db2.gz NRCWZHHMDBFUBH-FQEVSTJZSA-N 1 1 361.486 1.341 50 0 FDAAMO C[N@H+]1CCCC2(CCN(C(=O)CSc3nnc(N)s3)CC2)CC1 ZINC000067447228 523456425 /nfs/dbraw/zinc/45/64/25/523456425.db2.gz MQDMDSCOXOUGSW-UHFFFAOYSA-N 1 1 355.533 1.937 50 0 FDAAMO CN1CCC2(CCN(c3nc(N4CCC(O)CC4)cc[nH+]3)CC2)CCC1=O ZINC000067514876 523478285 /nfs/dbraw/zinc/47/82/85/523478285.db2.gz QBWTZGLFTQAIJE-UHFFFAOYSA-N 1 1 373.501 1.667 50 0 FDAAMO CCOc1ccc(C)cc1S(=O)(=O)N[C@H]1C[C@H]2C[N@H+](C)CCN2C1 ZINC000067605113 523510850 /nfs/dbraw/zinc/51/08/50/523510850.db2.gz NMTJDTKPQPCPNI-GJZGRUSLSA-N 1 1 353.488 1.060 50 0 FDAAMO CCOc1ccc(C)cc1S(=O)(=O)N[C@H]1C[C@H]2C[N@@H+](C)CCN2C1 ZINC000067605113 523510860 /nfs/dbraw/zinc/51/08/60/523510860.db2.gz NMTJDTKPQPCPNI-GJZGRUSLSA-N 1 1 353.488 1.060 50 0 FDAAMO CCOc1ccc(C)cc1S(=O)(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 ZINC000067605113 523510865 /nfs/dbraw/zinc/51/08/65/523510865.db2.gz NMTJDTKPQPCPNI-GJZGRUSLSA-N 1 1 353.488 1.060 50 0 FDAAMO CCOc1ccc(C)cc1S(=O)(=O)N[C@H]1C[C@H]2CN(C)CC[N@H+]2C1 ZINC000067605113 523510875 /nfs/dbraw/zinc/51/08/75/523510875.db2.gz NMTJDTKPQPCPNI-GJZGRUSLSA-N 1 1 353.488 1.060 50 0 FDAAMO NC(=O)C[NH+]1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000067785144 523584502 /nfs/dbraw/zinc/58/45/02/523584502.db2.gz NBTPEIMTPHUNGD-UHFFFAOYSA-N 1 1 371.441 1.413 50 0 FDAAMO COc1cc2[nH]c(=O)c(CN3CC[N@@H+](C)[C@H](C)C3)cc2c(OC)c1OC ZINC000067840297 523605148 /nfs/dbraw/zinc/60/51/48/523605148.db2.gz AKVMKMQHAVYIEU-GFCCVEGCSA-N 1 1 361.442 1.690 50 0 FDAAMO C[NH+]1CCN(c2cc(NCCCc3nc4ccccc4[nH]3)nc(N)n2)CC1 ZINC000067881220 523622142 /nfs/dbraw/zinc/62/21/42/523622142.db2.gz SIQMVTLHOUDUHW-UHFFFAOYSA-N 1 1 366.473 1.732 50 0 FDAAMO CCC[N@@H+](C)C[C@@]1(O)CCCN(Cc2cccc(OC)c2OC)C1=O ZINC000067920591 523635617 /nfs/dbraw/zinc/63/56/17/523635617.db2.gz OIVBGYDHVBZYSQ-IBGZPJMESA-N 1 1 350.459 1.899 50 0 FDAAMO Cc1ccc(C[NH+]2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)o1 ZINC000091435193 524439452 /nfs/dbraw/zinc/43/94/52/524439452.db2.gz GRONMBDINZYJCY-UHFFFAOYSA-N 1 1 372.517 1.844 50 0 FDAAMO C[C@@H](CN1CCOCC1)C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000082114609 524620825 /nfs/dbraw/zinc/62/08/25/524620825.db2.gz WMYQIAGWKGVIDV-SFHVURJKSA-N 1 1 371.525 1.656 50 0 FDAAMO C[C@@H](CN1CCOCC1)C(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082114609 524620836 /nfs/dbraw/zinc/62/08/36/524620836.db2.gz WMYQIAGWKGVIDV-SFHVURJKSA-N 1 1 371.525 1.656 50 0 FDAAMO Cc1ccc2[nH]nc(C(=O)N3C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C3)c2c1 ZINC000091417052 524701057 /nfs/dbraw/zinc/70/10/57/524701057.db2.gz MDWQZPCAPMKPIE-HZPDHXFCSA-N 1 1 373.501 1.045 50 0 FDAAMO Cc1ccc2[nH]nc(C(=O)N3C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C3)c2c1 ZINC000091417052 524701066 /nfs/dbraw/zinc/70/10/66/524701066.db2.gz MDWQZPCAPMKPIE-HZPDHXFCSA-N 1 1 373.501 1.045 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cc(C)cn1)CC2 ZINC000091426730 524703243 /nfs/dbraw/zinc/70/32/43/524703243.db2.gz UIUREWJBNMCBKV-HNNXBMFYSA-N 1 1 356.474 1.872 50 0 FDAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2)N1CCOCC1 ZINC000091518574 524719337 /nfs/dbraw/zinc/71/93/37/524719337.db2.gz MEHVDOCXFUJLJQ-PKOBYXMFSA-N 1 1 361.461 1.581 50 0 FDAAMO O=C(C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2)N1CCOCC1 ZINC000091518574 524719343 /nfs/dbraw/zinc/71/93/43/524719343.db2.gz MEHVDOCXFUJLJQ-PKOBYXMFSA-N 1 1 361.461 1.581 50 0 FDAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2)N1CCOCC1 ZINC000091518574 524719355 /nfs/dbraw/zinc/71/93/55/524719355.db2.gz MEHVDOCXFUJLJQ-PKOBYXMFSA-N 1 1 361.461 1.581 50 0 FDAAMO Cc1ncncc1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000091637035 524748699 /nfs/dbraw/zinc/74/86/99/524748699.db2.gz YPDJKDDZMQNEKR-INIZCTEOSA-N 1 1 371.485 1.334 50 0 FDAAMO CN(CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2)C(N)=O ZINC000091655897 524755005 /nfs/dbraw/zinc/75/50/05/524755005.db2.gz MLZCXBFDIGKPGJ-ZWKOTPCHSA-N 1 1 358.486 1.553 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)C[C@@H]1CO ZINC000091656094 524755393 /nfs/dbraw/zinc/75/53/93/524755393.db2.gz NXPAYJYVVFFAQI-IAGOWNOFSA-N 1 1 361.461 1.992 50 0 FDAAMO COCCN(C)C[C@@H]1C[N@H+](Cc2ccc3cc(F)ccc3n2)C[C@@H]1CO ZINC000091656094 524755403 /nfs/dbraw/zinc/75/54/03/524755403.db2.gz NXPAYJYVVFFAQI-IAGOWNOFSA-N 1 1 361.461 1.992 50 0 FDAAMO COCCN(C)C[C@@H]1C[N@@H+](Cc2ccc3cc(F)ccc3n2)C[C@@H]1CO ZINC000091656094 524755414 /nfs/dbraw/zinc/75/54/14/524755414.db2.gz NXPAYJYVVFFAQI-IAGOWNOFSA-N 1 1 361.461 1.992 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3nc(C)cc(C)n3n1)C2 ZINC000091693872 524761786 /nfs/dbraw/zinc/76/17/86/524761786.db2.gz LPYZKZJZDADPSS-HZPDHXFCSA-N 1 1 357.458 1.529 50 0 FDAAMO CCC[C@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@@H]1Nc1nnc(C)s1 ZINC000091713639 524766556 /nfs/dbraw/zinc/76/65/56/524766556.db2.gz ISJNVZQVDSCPKE-KBPBESRZSA-N 1 1 353.492 1.218 50 0 FDAAMO CCC[C@H]1C[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1Nc1nnc(C)s1 ZINC000091713639 524766564 /nfs/dbraw/zinc/76/65/64/524766564.db2.gz ISJNVZQVDSCPKE-KBPBESRZSA-N 1 1 353.492 1.218 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000091756079 524777186 /nfs/dbraw/zinc/77/71/86/524777186.db2.gz DVWRYTWCYRGHAN-GOSISDBHSA-N 1 1 355.438 1.187 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)CCC3CCCC3)C[C@@H]2CO)CC1 ZINC000091756089 524777617 /nfs/dbraw/zinc/77/76/17/524777617.db2.gz DOLXROMWMMHNGJ-RTBURBONSA-N 1 1 351.535 1.661 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)CCC3CCCC3)C[C@@H]2CO)CC1 ZINC000091756089 524777626 /nfs/dbraw/zinc/77/76/26/524777626.db2.gz DOLXROMWMMHNGJ-RTBURBONSA-N 1 1 351.535 1.661 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)CCC3CCCC3)C[C@@H]2CO)CC1 ZINC000091756089 524777636 /nfs/dbraw/zinc/77/76/36/524777636.db2.gz DOLXROMWMMHNGJ-RTBURBONSA-N 1 1 351.535 1.661 50 0 FDAAMO OCCC[C@@H]1C[N@@H+](CCn2cc(Cl)cn2)CC[C@@H]1N1CCOCC1 ZINC000091779143 524782151 /nfs/dbraw/zinc/78/21/51/524782151.db2.gz XOIKOZZBCKKTGY-WBVHZDCISA-N 1 1 356.898 1.332 50 0 FDAAMO OCCC[C@@H]1CN(CCn2cc(Cl)cn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091779143 524782157 /nfs/dbraw/zinc/78/21/57/524782157.db2.gz XOIKOZZBCKKTGY-WBVHZDCISA-N 1 1 356.898 1.332 50 0 FDAAMO Cc1nnnn1CCC(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000091781282 524783867 /nfs/dbraw/zinc/78/38/67/524783867.db2.gz IACYUIOFVHTHCG-UHFFFAOYSA-N 1 1 372.477 1.033 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(C)c(O)c2)C1 ZINC000091794058 524786810 /nfs/dbraw/zinc/78/68/10/524786810.db2.gz QOEJKEHIZDQYCZ-CVEARBPZSA-N 1 1 350.459 1.349 50 0 FDAAMO C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091829542 524794558 /nfs/dbraw/zinc/79/45/58/524794558.db2.gz BRHDQOBKWXOXPN-SFHVURJKSA-N 1 1 370.497 1.907 50 0 FDAAMO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000093173509 524960620 /nfs/dbraw/zinc/96/06/20/524960620.db2.gz UGZYKCSSYXDBIM-WMLDXEAASA-N 1 1 351.878 1.876 50 0 FDAAMO COc1ccc(Cc2nc(C[C@@H]3C[N@@H+](C(C)C)CCO3)n(CCO)n2)cc1 ZINC000096154050 525142320 /nfs/dbraw/zinc/14/23/20/525142320.db2.gz PMCNGONKIWIAFI-GOSISDBHSA-N 1 1 374.485 1.522 50 0 FDAAMO COc1ccc(Cc2nc(C[C@@H]3C[N@H+](C(C)C)CCO3)n(CCO)n2)cc1 ZINC000096154050 525142329 /nfs/dbraw/zinc/14/23/29/525142329.db2.gz PMCNGONKIWIAFI-GOSISDBHSA-N 1 1 374.485 1.522 50 0 FDAAMO Cc1cc(N2CCC(NC(=O)N3CCC([C@H](C)O)CC3)CC2)nc(C)[nH+]1 ZINC000176895632 525196794 /nfs/dbraw/zinc/19/67/94/525196794.db2.gz VNZPFMYDRYPCSN-AWEZNQCLSA-N 1 1 361.490 1.865 50 0 FDAAMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)[C@@H]3CCC(=O)N3)CC2)c1C ZINC000103130980 525328508 /nfs/dbraw/zinc/32/85/08/525328508.db2.gz WJTWVPPBKQTRQO-INIZCTEOSA-N 1 1 374.485 1.408 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc1 ZINC000104354443 525407547 /nfs/dbraw/zinc/40/75/47/525407547.db2.gz RHFCTIGOXKGRPG-LJQANCHMSA-N 1 1 358.486 1.888 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc1 ZINC000104354443 525407549 /nfs/dbraw/zinc/40/75/49/525407549.db2.gz RHFCTIGOXKGRPG-LJQANCHMSA-N 1 1 358.486 1.888 50 0 FDAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnc(N)nc3)C[C@H]2CCO)cc1C ZINC000104429135 525413007 /nfs/dbraw/zinc/41/30/07/525413007.db2.gz PEWICXNEKMCYTE-GOSISDBHSA-N 1 1 371.485 1.445 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(Cc3cnc(N)nc3)C[C@H]2CCO)cc1C ZINC000104429135 525413014 /nfs/dbraw/zinc/41/30/14/525413014.db2.gz PEWICXNEKMCYTE-GOSISDBHSA-N 1 1 371.485 1.445 50 0 FDAAMO Cc1cccc(N2CC[NH+](CCN3C(=O)[C@H]4CCCN4C3=O)CC2)c1C ZINC000170592552 525637578 /nfs/dbraw/zinc/63/75/78/525637578.db2.gz ZUQWEUHJYGXADH-GOSISDBHSA-N 1 1 356.470 1.852 50 0 FDAAMO Nc1ncc(Cl)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000156140314 526065907 /nfs/dbraw/zinc/06/59/07/526065907.db2.gz LCZTYUAWTNPOOU-UHFFFAOYSA-N 1 1 358.895 1.956 50 0 FDAAMO c1cnn(Cc2nnc(C3CC[NH+](Cc4c[nH]cn4)CC3)n2C2CC2)c1 ZINC000091695001 526556843 /nfs/dbraw/zinc/55/68/43/526556843.db2.gz HRKFOZKMTXLEOM-UHFFFAOYSA-N 1 1 352.446 1.961 50 0 FDAAMO NC(=O)c1noc(CN2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082137496 527104468 /nfs/dbraw/zinc/10/44/68/527104468.db2.gz ASQLYYVEMIKGDJ-HNNXBMFYSA-N 1 1 366.425 1.793 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C1 ZINC000082137667 527391663 /nfs/dbraw/zinc/39/16/63/527391663.db2.gz IDZTWRDFCCZBMY-LSDHHAIUSA-N 1 1 356.492 1.004 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082115911 527568084 /nfs/dbraw/zinc/56/80/84/527568084.db2.gz GAKOHFUMEVOLIH-FQEVSTJZSA-N 1 1 368.485 1.834 50 0 FDAAMO Nc1ncccc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082115911 527568091 /nfs/dbraw/zinc/56/80/91/527568091.db2.gz GAKOHFUMEVOLIH-FQEVSTJZSA-N 1 1 368.485 1.834 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082115911 527568099 /nfs/dbraw/zinc/56/80/99/527568099.db2.gz GAKOHFUMEVOLIH-FQEVSTJZSA-N 1 1 368.485 1.834 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)on1 ZINC000020137549 527672217 /nfs/dbraw/zinc/67/22/17/527672217.db2.gz XCPRZXDLDIPCOK-UHFFFAOYSA-N 1 1 359.382 1.522 50 0 FDAAMO C[C@@H]1C[N@H+](CCC(=O)N2CCc3[nH]c(-c4cccnc4)nc3C2)C[C@H](C)O1 ZINC000215312860 537437388 /nfs/dbraw/zinc/43/73/88/537437388.db2.gz SLOWHEOMYNIHOW-GASCZTMLSA-N 1 1 369.469 1.856 50 0 FDAAMO C[C@@H]1C[N@@H+](CCC(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)C[C@H](C)O1 ZINC000215312860 537437395 /nfs/dbraw/zinc/43/73/95/537437395.db2.gz SLOWHEOMYNIHOW-GASCZTMLSA-N 1 1 369.469 1.856 50 0 FDAAMO C[C@@H]1C[N@H+](CCC(=O)N2CCc3nc(-c4cccnc4)[nH]c3C2)C[C@H](C)O1 ZINC000215312860 537437401 /nfs/dbraw/zinc/43/74/01/537437401.db2.gz SLOWHEOMYNIHOW-GASCZTMLSA-N 1 1 369.469 1.856 50 0 FDAAMO COCCc1noc([C@H]2CCCC[N@@H+]2CC(C)(C)N2CCOCC2)n1 ZINC000215363667 537437941 /nfs/dbraw/zinc/43/79/41/537437941.db2.gz DMLBMWXTMQMJCN-OAHLLOKOSA-N 1 1 352.479 1.896 50 0 FDAAMO COCCc1noc([C@H]2CCCC[N@H+]2CC(C)(C)N2CCOCC2)n1 ZINC000215363667 537437949 /nfs/dbraw/zinc/43/79/49/537437949.db2.gz DMLBMWXTMQMJCN-OAHLLOKOSA-N 1 1 352.479 1.896 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000219608258 537477510 /nfs/dbraw/zinc/47/75/10/537477510.db2.gz PXROJLIPRCGMSA-HXUWFJFHSA-N 1 1 370.453 1.029 50 0 FDAAMO CC(C)c1csc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)n1 ZINC000220515174 537489966 /nfs/dbraw/zinc/48/99/66/537489966.db2.gz GJNWPZXYEODQCL-CQSZACIVSA-N 1 1 352.504 1.524 50 0 FDAAMO CC(C)c1csc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)n1 ZINC000220515174 537489974 /nfs/dbraw/zinc/48/99/74/537489974.db2.gz GJNWPZXYEODQCL-CQSZACIVSA-N 1 1 352.504 1.524 50 0 FDAAMO CS(=O)(=O)c1ccc(C2(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000221156025 537496840 /nfs/dbraw/zinc/49/68/40/537496840.db2.gz KUIMKGIEJMAYGT-MRXNPFEDSA-N 1 1 362.495 1.818 50 0 FDAAMO OC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cnn(-c3ccccc3F)c1)C2 ZINC000221301028 537499065 /nfs/dbraw/zinc/49/90/65/537499065.db2.gz XZWINDVYENWVKN-LJQANCHMSA-N 1 1 371.416 1.640 50 0 FDAAMO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cnn(-c3ccccc3F)c1)C2 ZINC000221301028 537499077 /nfs/dbraw/zinc/49/90/77/537499077.db2.gz XZWINDVYENWVKN-LJQANCHMSA-N 1 1 371.416 1.640 50 0 FDAAMO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000222812563 537513358 /nfs/dbraw/zinc/51/33/58/537513358.db2.gz CCNTVEVZXSDUED-AQNFWKISSA-N 1 1 360.863 1.344 50 0 FDAAMO COc1cc(C)c(C)cc1S(=O)(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+](C)C ZINC000222899253 537514767 /nfs/dbraw/zinc/51/47/67/537514767.db2.gz JIYZMICQPQTHNX-VJUNAUMWSA-N 1 1 354.472 1.308 50 0 FDAAMO C[NH+](C)[C@@H]1CCN(CC(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000223642986 537530350 /nfs/dbraw/zinc/53/03/50/537530350.db2.gz CBXWBAUNJRLCSB-CQSZACIVSA-N 1 1 363.893 1.901 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H](C)O1 ZINC000229721545 537575438 /nfs/dbraw/zinc/57/54/38/537575438.db2.gz KJAYBKFTXZYRGL-XJKCOSOUSA-N 1 1 359.467 1.372 50 0 FDAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000229766208 537575683 /nfs/dbraw/zinc/57/56/83/537575683.db2.gz MPDIBENOGAYWET-QUCCMNQESA-N 1 1 374.481 1.986 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000230102633 537577355 /nfs/dbraw/zinc/57/73/55/537577355.db2.gz AFXBZVCDVMBTNZ-QWHCGFSZSA-N 1 1 373.432 1.655 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299775318 537595359 /nfs/dbraw/zinc/59/53/59/537595359.db2.gz DDDFDCKHDIPORN-ROUUACIJSA-N 1 1 355.442 1.391 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299775318 537595366 /nfs/dbraw/zinc/59/53/66/537595366.db2.gz DDDFDCKHDIPORN-ROUUACIJSA-N 1 1 355.442 1.391 50 0 FDAAMO CC(C)N(C(=O)C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)c1ccccc1 ZINC000239761256 537645232 /nfs/dbraw/zinc/64/52/32/537645232.db2.gz CJIULYLCYCLBTE-HXUWFJFHSA-N 1 1 373.497 1.780 50 0 FDAAMO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3nnc(CO)n3C)CC2)cc1 ZINC000244742232 537652522 /nfs/dbraw/zinc/65/25/22/537652522.db2.gz OEEDVBQIZIMTGK-HNNXBMFYSA-N 1 1 371.485 1.673 50 0 FDAAMO CCc1nccn1CC[N@@H+]1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000244817176 537653654 /nfs/dbraw/zinc/65/36/54/537653654.db2.gz SVMKQZJAWXBJGU-UHFFFAOYSA-N 1 1 369.535 1.184 50 0 FDAAMO CCc1nccn1CC[N@H+]1CCCN(S(=O)(=O)N2CCCCC2)CC1 ZINC000244817176 537653656 /nfs/dbraw/zinc/65/36/56/537653656.db2.gz SVMKQZJAWXBJGU-UHFFFAOYSA-N 1 1 369.535 1.184 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)C[C@H]1CCCO1 ZINC000245225239 537655274 /nfs/dbraw/zinc/65/52/74/537655274.db2.gz QCUOVCIRUIXJKC-DZGCQCFKSA-N 1 1 369.487 1.375 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)C[C@H]1CCCO1 ZINC000245225239 537655278 /nfs/dbraw/zinc/65/52/78/537655278.db2.gz QCUOVCIRUIXJKC-DZGCQCFKSA-N 1 1 369.487 1.375 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000426667497 538119628 /nfs/dbraw/zinc/11/96/28/538119628.db2.gz OMCQDTRNLCIGBD-HNNXBMFYSA-N 1 1 373.457 1.846 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)C1 ZINC000575615385 550466781 /nfs/dbraw/zinc/46/67/81/550466781.db2.gz DPRYXRQYWGRYKN-ZDUSSCGKSA-N 1 1 365.861 1.519 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)N2CCOc3ccc(Cl)cc3C2)C1 ZINC000584889340 551565553 /nfs/dbraw/zinc/56/55/53/551565553.db2.gz JXXKANLPZXIYDT-CYBMUJFWSA-N 1 1 353.850 1.822 50 0 FDAAMO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(Cc3cccc(OC)c3)C(=O)C2)C1 ZINC000584890909 551565677 /nfs/dbraw/zinc/56/56/77/551565677.db2.gz BAXLXDZNNSKKJX-QGZVFWFLSA-N 1 1 374.485 1.533 50 0 FDAAMO CC(C)[NH+]1CCC(CC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)CC1 ZINC000584894410 551566021 /nfs/dbraw/zinc/56/60/21/551566021.db2.gz GDGRYHZXTCXKBZ-LJQANCHMSA-N 1 1 351.535 1.802 50 0 FDAAMO C[N@H+](CC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O)Cc1ccccc1 ZINC000584897510 551566898 /nfs/dbraw/zinc/56/68/98/551566898.db2.gz LAORFYFITIJDAH-QGZVFWFLSA-N 1 1 367.515 1.439 50 0 FDAAMO C[N@@H+](CC(=O)NCC[C@H]1CCCCN1S(C)(=O)=O)Cc1ccccc1 ZINC000584897510 551566901 /nfs/dbraw/zinc/56/69/01/551566901.db2.gz LAORFYFITIJDAH-QGZVFWFLSA-N 1 1 367.515 1.439 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000584900954 551567329 /nfs/dbraw/zinc/56/73/29/551567329.db2.gz DNVKWEGQHAQQSW-QGZVFWFLSA-N 1 1 374.533 1.512 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000618256591 555600190 /nfs/dbraw/zinc/60/01/90/555600190.db2.gz KJQJTDQGXARDCO-OAHLLOKOSA-N 1 1 371.528 1.110 50 0 FDAAMO COCCN(C[C@H]1C[N@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000105022828 570866813 /nfs/dbraw/zinc/86/68/13/570866813.db2.gz XYAYLMJHZOGIFE-MOPGFXCFSA-N 1 1 364.486 1.493 50 0 FDAAMO COCCN(C[C@H]1C[N@@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccccc1 ZINC000105022828 570866817 /nfs/dbraw/zinc/86/68/17/570866817.db2.gz XYAYLMJHZOGIFE-MOPGFXCFSA-N 1 1 364.486 1.493 50 0 FDAAMO COc1ccc(Br)cc1C[N@@H+](C)CCCNS(C)(=O)=O ZINC000049982794 570967047 /nfs/dbraw/zinc/96/70/47/570967047.db2.gz XZJQSDZXXCFBHQ-UHFFFAOYSA-N 1 1 365.293 1.829 50 0 FDAAMO O=C1OCc2ccc(C[N@@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)c3cccc1c23 ZINC000244715801 571114940 /nfs/dbraw/zinc/11/49/40/571114940.db2.gz LCOPMEWBNPBYCC-OALUTQOASA-N 1 1 368.433 1.388 50 0 FDAAMO COc1ccc2c(c1)CCN(C(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000244794922 571116881 /nfs/dbraw/zinc/11/68/81/571116881.db2.gz QWMWFEGBJLRBSO-MRXNPFEDSA-N 1 1 366.483 1.089 50 0 FDAAMO COc1ccc2c(c1)CCN(C(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)C2 ZINC000244794922 571116884 /nfs/dbraw/zinc/11/68/84/571116884.db2.gz QWMWFEGBJLRBSO-MRXNPFEDSA-N 1 1 366.483 1.089 50 0 FDAAMO CCOCC(=O)N1CCC(C(=O)NC[C@H]2Cc3ccccc3C[N@H+]2C)CC1 ZINC000252483976 571132246 /nfs/dbraw/zinc/13/22/46/571132246.db2.gz FLOILRZODIDBHK-LJQANCHMSA-N 1 1 373.497 1.434 50 0 FDAAMO COc1ccc(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cc1 ZINC000426380154 571133794 /nfs/dbraw/zinc/13/37/94/571133794.db2.gz SJERIXOLIIAJGN-AWEZNQCLSA-N 1 1 356.426 1.782 50 0 FDAAMO COC(=O)c1cn(-c2ccc(-n3cc[nH+]c3C)nc2)cc2c(=O)[nH]nc1-2 ZINC000253400352 571190554 /nfs/dbraw/zinc/19/05/54/571190554.db2.gz DWRGPLNZBLOSDF-UHFFFAOYSA-N 1 1 350.338 1.341 50 0 FDAAMO CCn1cnnc1CCNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000299763915 571194014 /nfs/dbraw/zinc/19/40/14/571194014.db2.gz YYSYOZIGJPWNFS-QGZVFWFLSA-N 1 1 357.458 1.248 50 0 FDAAMO CCn1cnnc1CCNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000299763915 571194016 /nfs/dbraw/zinc/19/40/16/571194016.db2.gz YYSYOZIGJPWNFS-QGZVFWFLSA-N 1 1 357.458 1.248 50 0 FDAAMO CC[NH+]1CCN(C2CCN(C(=O)c3ccccc3-n3cnnc3)CC2)CC1 ZINC000299773678 571196444 /nfs/dbraw/zinc/19/64/44/571196444.db2.gz DVLIVRLSOOEAQI-UHFFFAOYSA-N 1 1 368.485 1.509 50 0 FDAAMO CO[C@]12CC[N@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299778095 571197032 /nfs/dbraw/zinc/19/70/32/571197032.db2.gz OLHDCYGSPDUTCR-SOLBZPMBSA-N 1 1 351.447 1.695 50 0 FDAAMO CO[C@]12CC[N@@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000299778095 571197033 /nfs/dbraw/zinc/19/70/33/571197033.db2.gz OLHDCYGSPDUTCR-SOLBZPMBSA-N 1 1 351.447 1.695 50 0 FDAAMO COc1ccc(-n2cc([C@@H](C)NC(=O)CC[NH+]3CCN(C)CC3)cn2)cc1 ZINC000299796000 571202112 /nfs/dbraw/zinc/20/21/12/571202112.db2.gz LMMKKXMWJUIRGM-MRXNPFEDSA-N 1 1 371.485 1.696 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3cncnc3)c2)C1 ZINC000299802977 571203842 /nfs/dbraw/zinc/20/38/42/571203842.db2.gz ZMUMUPUBXDFZCN-MRXNPFEDSA-N 1 1 353.426 1.071 50 0 FDAAMO COc1ccc(C(=O)N2CCN(C(=O)NC[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC000426358824 571214839 /nfs/dbraw/zinc/21/48/39/571214839.db2.gz AXRDQUFRQUMEAD-OAHLLOKOSA-N 1 1 360.458 1.114 50 0 FDAAMO Cc1ccc2[nH]c(CNc3cc([C@@H]4CCOC4)[nH+]c(NCCO)n3)nc2c1 ZINC000426405743 571220874 /nfs/dbraw/zinc/22/08/74/571220874.db2.gz PNCXJYSKSANNMT-CYBMUJFWSA-N 1 1 368.441 1.025 50 0 FDAAMO Cc1ccc2nc(CNc3cc([C@@H]4CCOC4)[nH+]c(NCCO)n3)[nH]c2c1 ZINC000426405743 571220876 /nfs/dbraw/zinc/22/08/76/571220876.db2.gz PNCXJYSKSANNMT-CYBMUJFWSA-N 1 1 368.441 1.025 50 0 FDAAMO O=C(NCC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCNC(=O)CC1 ZINC000426486071 571227837 /nfs/dbraw/zinc/22/78/37/571227837.db2.gz XBASXEMWWMHULS-GOSISDBHSA-N 1 1 358.486 1.963 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000426491022 571228003 /nfs/dbraw/zinc/22/80/03/571228003.db2.gz HMIQWIRFORJXTQ-NRFANRHFSA-N 1 1 373.497 1.935 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@@H](CO)C1)N1CCC(Cn2ccnc2)CC1 ZINC000426511598 571229336 /nfs/dbraw/zinc/22/93/36/571229336.db2.gz HNDKLKVPAAMOBJ-GOSISDBHSA-N 1 1 363.506 1.399 50 0 FDAAMO C[C@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1ccc(F)cc1 ZINC000426517958 571229820 /nfs/dbraw/zinc/22/98/20/571229820.db2.gz QCMXEOUXKRPPIZ-AWEZNQCLSA-N 1 1 362.449 1.883 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@@H+]([C@H]1CCN(c3ccccc3)C1)C2 ZINC000426534504 571230791 /nfs/dbraw/zinc/23/07/91/571230791.db2.gz SMJFPDNRXOFBCF-SFHVURJKSA-N 1 1 369.469 1.240 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@H+]([C@H]1CCN(c3ccccc3)C1)C2 ZINC000426534504 571230793 /nfs/dbraw/zinc/23/07/93/571230793.db2.gz SMJFPDNRXOFBCF-SFHVURJKSA-N 1 1 369.469 1.240 50 0 FDAAMO CC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3F)C(=O)C2)C1 ZINC000426712253 571236268 /nfs/dbraw/zinc/23/62/68/571236268.db2.gz XEZKDVCBTFSWED-HNNXBMFYSA-N 1 1 362.449 1.521 50 0 FDAAMO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3cscn3)C[C@H]2O)o1 ZINC000426726943 571236733 /nfs/dbraw/zinc/23/67/33/571236733.db2.gz UUNNYHDPRVRUKK-HUUCEWRRSA-N 1 1 364.471 1.163 50 0 FDAAMO CCOC(=O)c1cnc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)n1C ZINC000253424164 571312945 /nfs/dbraw/zinc/31/29/45/571312945.db2.gz BFYQZFSGYHBMDE-ZDUSSCGKSA-N 1 1 367.450 1.075 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000670439082 571348086 /nfs/dbraw/zinc/34/80/86/571348086.db2.gz YZOPPVODEVOEFX-JTQLQIEISA-N 1 1 352.378 1.351 50 0 FDAAMO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000014960528 670626983 /nfs/dbraw/zinc/62/69/83/670626983.db2.gz KILNMZQPEXNVRR-ZDUSSCGKSA-N 1 1 361.895 1.654 50 0 FDAAMO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000014960528 670626987 /nfs/dbraw/zinc/62/69/87/670626987.db2.gz KILNMZQPEXNVRR-ZDUSSCGKSA-N 1 1 361.895 1.654 50 0 FDAAMO CN(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cc(F)c(F)cc1F)CC2 ZINC000169756026 672039253 /nfs/dbraw/zinc/03/92/53/672039253.db2.gz RAXVYTJQECSWAN-UHFFFAOYSA-N 1 1 352.360 1.854 50 0 FDAAMO C[C@@]1(CNS(=O)(=O)C[C@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000249200644 672550246 /nfs/dbraw/zinc/55/02/46/672550246.db2.gz CYAHESIQTKTAFX-ROUUACIJSA-N 1 1 352.500 1.997 50 0 FDAAMO C[C@@](O)(C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161770 678073418 /nfs/dbraw/zinc/07/34/18/678073418.db2.gz KQYONHNMJMZUPT-QWHCGFSZSA-N 1 1 358.426 1.626 50 0 FDAAMO C[C@@](O)(C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161770 678073422 /nfs/dbraw/zinc/07/34/22/678073422.db2.gz KQYONHNMJMZUPT-QWHCGFSZSA-N 1 1 358.426 1.626 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N(C)C3CCOCC3)Cc3ccccc3C2)CC1 ZINC000020513757 792491102 /nfs/dbraw/zinc/49/11/02/792491102.db2.gz AWPBGMRYSJFFJR-UHFFFAOYSA-N 1 1 371.525 1.799 50 0 FDAAMO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](Cc1ccccc1)CC2 ZINC000257178702 793889112 /nfs/dbraw/zinc/88/91/12/793889112.db2.gz GZFYIFFFWDETCM-IBGZPJMESA-N 1 1 357.498 1.832 50 0 FDAAMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)CCC(=O)NCC1 ZINC000257184677 793947985 /nfs/dbraw/zinc/94/79/85/793947985.db2.gz VDEOMLGFAWBWRB-GOSISDBHSA-N 1 1 358.486 1.716 50 0 FDAAMO CCn1ccc(C(=O)N2CCC3(C[C@@H](c4nc(C)no4)[N@H+](C)C3)CC2)n1 ZINC000257186450 793961352 /nfs/dbraw/zinc/96/13/52/793961352.db2.gz ZDRIYBYEXXEDHR-HNNXBMFYSA-N 1 1 358.446 1.894 50 0 FDAAMO CCn1ccc(C(=O)N2CCC3(C[C@@H](c4nc(C)no4)[N@@H+](C)C3)CC2)n1 ZINC000257186450 793961356 /nfs/dbraw/zinc/96/13/56/793961356.db2.gz ZDRIYBYEXXEDHR-HNNXBMFYSA-N 1 1 358.446 1.894 50 0 FDAAMO CC(C)[N@@H+]1C[C@@H](O)C[C@H]1c1nnc2n1CCN(Cc1cccc(F)c1)C2 ZINC000675011479 795221003 /nfs/dbraw/zinc/22/10/03/795221003.db2.gz URBRGXMMTOBOCC-IRXDYDNUSA-N 1 1 359.449 1.949 50 0 FDAAMO CC(C)[N@H+]1C[C@@H](O)C[C@H]1c1nnc2n1CCN(Cc1cccc(F)c1)C2 ZINC000675011479 795221008 /nfs/dbraw/zinc/22/10/08/795221008.db2.gz URBRGXMMTOBOCC-IRXDYDNUSA-N 1 1 359.449 1.949 50 0 FDAAMO Cc1noc([C@H]2C[N@H+](C3CCOCC3)CCCN2C(=O)c2cccnc2)n1 ZINC000675021385 795241152 /nfs/dbraw/zinc/24/11/52/795241152.db2.gz DISKQPGZONLCGA-QGZVFWFLSA-N 1 1 371.441 1.841 50 0 FDAAMO Cc1noc([C@@H]2C[N@H+](C3CCOCC3)CCCN2C(=O)c2cccnc2)n1 ZINC000675021383 795241341 /nfs/dbraw/zinc/24/13/41/795241341.db2.gz DISKQPGZONLCGA-KRWDZBQOSA-N 1 1 371.441 1.841 50 0 FDAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)nnn1-c1ccc(C)cc1F ZINC000675027530 795274407 /nfs/dbraw/zinc/27/44/07/795274407.db2.gz OZGHXHQWJDWGDP-UHFFFAOYSA-N 1 1 361.421 1.475 50 0 FDAAMO COCCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]2C1=O ZINC000169751597 864484087 /nfs/dbraw/zinc/48/40/87/864484087.db2.gz WDQXTWPCIYXYMK-OKILXGFUSA-N 1 1 372.343 1.648 50 0 FDAAMO Cc1cccc(C[N@H+]2C[C@@H]3C(=O)N(CCCN4CCCC4=O)C(=O)[C@@H]3C2)c1 ZINC000169760656 864490736 /nfs/dbraw/zinc/49/07/36/864490736.db2.gz WDOUSLWUENFJAC-HDICACEKSA-N 1 1 369.465 1.424 50 0 FDAAMO Cc1c[nH+]c(CCNC(=O)c2cc(CN3CCOCC3)on2)n1CC1CC1 ZINC000169786903 864516912 /nfs/dbraw/zinc/51/69/12/864516912.db2.gz JGWTXVIELDHVCH-UHFFFAOYSA-N 1 1 373.457 1.394 50 0 FDAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)C1(c3ccccc3)CC1)CC2 ZINC000169782092 864522627 /nfs/dbraw/zinc/52/26/27/864522627.db2.gz FENOCTOMDKZAHN-LJQANCHMSA-N 1 1 372.509 1.898 50 0 FDAAMO CC(C)Cc1nc(CN2CCOC3(CC[NH+](Cc4cnc[nH]4)CC3)C2)no1 ZINC000821483342 919831158 /nfs/dbraw/zinc/83/11/58/919831158.db2.gz JGSQMAUULYNKBW-UHFFFAOYSA-N 1 1 374.489 1.858 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)NC12C[C@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 ZINC000823557145 921946236 /nfs/dbraw/zinc/94/62/36/921946236.db2.gz DPBUGNLSSNOMGU-MYMYQCDVSA-N 1 1 369.473 1.686 50 0 FDAAMO CN(C)Cc1ccc(CSCCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]C3)o1 ZINC000823709225 922023532 /nfs/dbraw/zinc/02/35/32/922023532.db2.gz NFSZNPYWJJXTHK-GJZGRUSLSA-N 1 1 366.531 1.968 50 0 FDAAMO C[NH+]1CCN(c2ncc(CN3CCC(=O)Nc4cc(F)ccc43)cn2)CC1 ZINC000378129259 922321692 /nfs/dbraw/zinc/32/16/92/922321692.db2.gz RFUVQTFZYLQEOX-UHFFFAOYSA-N 1 1 370.432 1.716 50 0 FDAAMO COC(=O)c1sccc1S(=O)(=O)N1CCC[N@@H+](C2CCC2)CC1 ZINC000824226949 922852453 /nfs/dbraw/zinc/85/24/53/922852453.db2.gz IKIBFFLTTBYYGU-UHFFFAOYSA-N 1 1 358.485 1.784 50 0 FDAAMO COC(=O)c1sccc1S(=O)(=O)N1CCC[N@H+](C2CCC2)CC1 ZINC000824226949 922852459 /nfs/dbraw/zinc/85/24/59/922852459.db2.gz IKIBFFLTTBYYGU-UHFFFAOYSA-N 1 1 358.485 1.784 50 0 FDAAMO O=C(Cc1ccccn1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000828005720 924808691 /nfs/dbraw/zinc/80/86/91/924808691.db2.gz MCZQWXOVMDELGB-PDRFFQIWSA-N 1 1 362.477 1.308 50 0 FDAAMO CO[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCOCC2 ZINC000581802852 927588228 /nfs/dbraw/zinc/58/82/28/927588228.db2.gz QSDPBFSVWCTQPZ-KRWDZBQOSA-N 1 1 362.474 1.213 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccoc1)CC2 ZINC000581803549 927600124 /nfs/dbraw/zinc/60/01/24/927600124.db2.gz XMAKLWPYEDZIAS-MRXNPFEDSA-N 1 1 361.442 1.065 50 0 FDAAMO COCCn1ccnc1[C@H]1N[C@](CO)(c2ccccc2)[C@H]2C[N@@H+](C)C[C@H]21 ZINC000065454757 927964556 /nfs/dbraw/zinc/96/45/56/927964556.db2.gz OASWHFORZYHFMV-DOADOZAASA-N 1 1 356.470 1.239 50 0 FDAAMO CC(C)n1ccnc1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)C1 ZINC000952868809 960207371 /nfs/dbraw/zinc/20/73/71/960207371.db2.gz GWJOLWGMFLQOPY-CVEARBPZSA-N 1 1 361.490 1.367 50 0 FDAAMO CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952971347 960264734 /nfs/dbraw/zinc/26/47/34/960264734.db2.gz NXRSPMIYQBAEKI-GOSISDBHSA-N 1 1 357.498 1.884 50 0 FDAAMO CN(CC[N@@H+](C)C1CCCC1)S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 ZINC000952979667 960279674 /nfs/dbraw/zinc/27/96/74/960279674.db2.gz DWVYVLRMBPASOQ-UHFFFAOYSA-N 1 1 367.471 1.626 50 0 FDAAMO Nc1cc[nH+]c(N2CCOC3(CCN(C(=O)c4ccsc4)CC3)C2)n1 ZINC000952986992 960311146 /nfs/dbraw/zinc/31/11/46/960311146.db2.gz DDMURVLPSPDWMZ-UHFFFAOYSA-N 1 1 359.455 1.632 50 0 FDAAMO CC[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000274175417 181039273 /nfs/dbraw/zinc/03/92/73/181039273.db2.gz IZTITACOSRHWOG-KRWDZBQOSA-N 1 1 367.515 1.391 50 0 FDAAMO CCOc1ccc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)nn1 ZINC000534654330 540395104 /nfs/dbraw/zinc/39/51/04/540395104.db2.gz FDFIZNOKCCKHGY-UHFFFAOYSA-N 1 1 370.453 1.994 50 0 FDAAMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(OC)cc3)C(=O)C2)C1 ZINC000534663941 540397498 /nfs/dbraw/zinc/39/74/98/540397498.db2.gz LRVIWUORVOSZQA-QGZVFWFLSA-N 1 1 374.485 1.533 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cnn(CCC(N)=O)c2)c1 ZINC000534661147 540396484 /nfs/dbraw/zinc/39/64/84/540396484.db2.gz PWULWBSOWPYTRP-GOSISDBHSA-N 1 1 369.469 1.640 50 0 FDAAMO COCCN1CC[C@@]2(CN(Cc3ccsc3)CC[N@H+]2C)CCC1=O ZINC000107405415 209274994 /nfs/dbraw/zinc/27/49/94/209274994.db2.gz SGHIKDBOXLYKDF-GOSISDBHSA-N 1 1 351.516 1.893 50 0 FDAAMO C[N@H+]1CCC[C@H](CCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000097805622 209198764 /nfs/dbraw/zinc/19/87/64/209198764.db2.gz KVDHZGPYIGDYQY-CQSZACIVSA-N 1 1 356.463 1.838 50 0 FDAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000097805623 209198467 /nfs/dbraw/zinc/19/84/67/209198467.db2.gz KVDHZGPYIGDYQY-AWEZNQCLSA-N 1 1 356.463 1.838 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc3cccc(Cl)c3n2)C1 ZINC000097797225 209196534 /nfs/dbraw/zinc/19/65/34/209196534.db2.gz KCTICDDRHULGGQ-CYBMUJFWSA-N 1 1 360.845 1.815 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000097642318 209190215 /nfs/dbraw/zinc/19/02/15/209190215.db2.gz FPSIVMDRFZWFBY-ROUUACIJSA-N 1 1 364.873 1.883 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000097642318 209190219 /nfs/dbraw/zinc/19/02/19/209190219.db2.gz FPSIVMDRFZWFBY-ROUUACIJSA-N 1 1 364.873 1.883 50 0 FDAAMO O[C@H]1COC[C@@H]1N1CCC[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000097642318 209190221 /nfs/dbraw/zinc/19/02/21/209190221.db2.gz FPSIVMDRFZWFBY-ROUUACIJSA-N 1 1 364.873 1.883 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000013623983 220078918 /nfs/dbraw/zinc/07/89/18/220078918.db2.gz KHGARDVQEVLEDB-INIZCTEOSA-N 1 1 365.499 1.251 50 0 FDAAMO Cc1nc(C2(c3ccccc3)CC[NH+](C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000096151414 209125182 /nfs/dbraw/zinc/12/51/82/209125182.db2.gz YCAHJGJQWVUQMX-KRWDZBQOSA-N 1 1 374.510 1.958 50 0 FDAAMO COCCNC(=O)c1ccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000096135652 209117097 /nfs/dbraw/zinc/11/70/97/209117097.db2.gz CFDCUFUWOFHNCF-KRWDZBQOSA-N 1 1 360.458 1.765 50 0 FDAAMO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1cccc2[nH]nnc21 ZINC000096130760 209116469 /nfs/dbraw/zinc/11/64/69/209116469.db2.gz BUYJIKBJANXIRX-LBPRGKRZSA-N 1 1 359.434 1.022 50 0 FDAAMO Cc1c[nH]c(CNc2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)c(C)c1=O ZINC000299763696 206636924 /nfs/dbraw/zinc/63/69/24/206636924.db2.gz ZOFWTRYNAZOFLW-ZDUSSCGKSA-N 1 1 359.430 1.714 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)CC1 ZINC000006751926 207161136 /nfs/dbraw/zinc/16/11/36/207161136.db2.gz LJPIHGYVCCNSFK-UHFFFAOYSA-N 1 1 354.454 1.901 50 0 FDAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@]2(N1)c1cc3c(cc1NC2=O)OCCO3 ZINC000007718729 207203477 /nfs/dbraw/zinc/20/34/77/207203477.db2.gz BVJZLTSZLDSBFC-GOSISDBHSA-N 1 1 362.349 1.010 50 0 FDAAMO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000009288790 207264249 /nfs/dbraw/zinc/26/42/49/207264249.db2.gz CFCIXBJKLYRZRU-MRXNPFEDSA-N 1 1 373.409 1.116 50 0 FDAAMO COc1ccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)cc1 ZINC000009407390 207270057 /nfs/dbraw/zinc/27/00/57/207270057.db2.gz JWSYEVWXTPOKIR-UHFFFAOYSA-N 1 1 354.414 1.780 50 0 FDAAMO CCCCOC[C@H](O)C[N@@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000009595075 207279069 /nfs/dbraw/zinc/27/90/69/207279069.db2.gz SZGZECNJOSGQQZ-RBUKOAKNSA-N 1 1 364.486 1.474 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)N[C@H]3CCC[N@@H+](C4CCN(C)CC4)C3)cc2n1 ZINC000012056900 207335080 /nfs/dbraw/zinc/33/50/80/207335080.db2.gz PTMHDYYQYKUEHO-INIZCTEOSA-N 1 1 370.501 1.635 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)N[C@H]3CCC[N@H+](C4CCN(C)CC4)C3)cc2n1 ZINC000012056900 207335082 /nfs/dbraw/zinc/33/50/82/207335082.db2.gz PTMHDYYQYKUEHO-INIZCTEOSA-N 1 1 370.501 1.635 50 0 FDAAMO Cn1cc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cn1 ZINC000011874495 207327929 /nfs/dbraw/zinc/32/79/29/207327929.db2.gz WYWOXAFNQAJLBK-LJQANCHMSA-N 1 1 360.433 1.545 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCC1CCOCC1 ZINC000011873365 207328443 /nfs/dbraw/zinc/32/84/43/207328443.db2.gz FERGJIAPRPJSBB-LJQANCHMSA-N 1 1 373.497 1.353 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCC1CCOCC1 ZINC000011873365 207328447 /nfs/dbraw/zinc/32/84/47/207328447.db2.gz FERGJIAPRPJSBB-LJQANCHMSA-N 1 1 373.497 1.353 50 0 FDAAMO CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012299295 207356176 /nfs/dbraw/zinc/35/61/76/207356176.db2.gz BZOGWWCMRVCDTO-MRXNPFEDSA-N 1 1 367.559 1.969 50 0 FDAAMO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)[nH]n1 ZINC000012445992 207379027 /nfs/dbraw/zinc/37/90/27/207379027.db2.gz BGKSGIWPMCGOBX-IBGZPJMESA-N 1 1 360.433 1.843 50 0 FDAAMO Cc1cc(C[N@H+](C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)[nH]n1 ZINC000012445992 207379034 /nfs/dbraw/zinc/37/90/34/207379034.db2.gz BGKSGIWPMCGOBX-IBGZPJMESA-N 1 1 360.433 1.843 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000020478874 207740910 /nfs/dbraw/zinc/74/09/10/207740910.db2.gz MPJHLKDFKXDZBY-MAUKXSAKSA-N 1 1 361.467 1.095 50 0 FDAAMO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3C)nn2)sc1C(=O)N(C)C ZINC000077197103 208196702 /nfs/dbraw/zinc/19/67/02/208196702.db2.gz QHOKDBJUEQGRHA-UHFFFAOYSA-N 1 1 371.426 1.690 50 0 FDAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cnc(C)cn3)cc2)CC1 ZINC000040115675 208230448 /nfs/dbraw/zinc/23/04/48/208230448.db2.gz OITODMWVOOGZMY-UHFFFAOYSA-N 1 1 353.470 1.853 50 0 FDAAMO CNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000040118857 208230604 /nfs/dbraw/zinc/23/06/04/208230604.db2.gz KDPVVRNSOONWPL-GASCZTMLSA-N 1 1 367.515 1.693 50 0 FDAAMO C[C@H]1CCc2c(sc3ncnc(N4CCC[N@H+](CC(N)=O)CC4)c23)C1 ZINC000040155536 208237927 /nfs/dbraw/zinc/23/79/27/208237927.db2.gz DQBWXWQUKCIVDL-LBPRGKRZSA-N 1 1 359.499 1.814 50 0 FDAAMO C[C@H]1CCc2c(sc3ncnc(N4CCC[N@@H+](CC(N)=O)CC4)c23)C1 ZINC000040155536 208237934 /nfs/dbraw/zinc/23/79/34/208237934.db2.gz DQBWXWQUKCIVDL-LBPRGKRZSA-N 1 1 359.499 1.814 50 0 FDAAMO COc1ccc(CC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(OC)c1 ZINC000042028579 208289513 /nfs/dbraw/zinc/28/95/13/208289513.db2.gz KAEKZZDZSXMGAG-KRWDZBQOSA-N 1 1 350.459 1.719 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@H]1CO ZINC000091444827 208977017 /nfs/dbraw/zinc/97/70/17/208977017.db2.gz ZOLWCKGVVKHSHJ-QZTJIDSGSA-N 1 1 373.497 1.779 50 0 FDAAMO CN(C)[C@@H](CNC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1Cl ZINC000091858799 209000144 /nfs/dbraw/zinc/00/01/44/209000144.db2.gz JRBVZMJHXXNCOT-INIZCTEOSA-N 1 1 366.893 1.256 50 0 FDAAMO CCN(C)C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091876683 209002077 /nfs/dbraw/zinc/00/20/77/209002077.db2.gz WJZDRNRWAVRSIB-QZTJIDSGSA-N 1 1 360.502 1.178 50 0 FDAAMO CCN(C)C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091876683 209002080 /nfs/dbraw/zinc/00/20/80/209002080.db2.gz WJZDRNRWAVRSIB-QZTJIDSGSA-N 1 1 360.502 1.178 50 0 FDAAMO CC[N@H+](C)C[C@@H]1CN(C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091876683 209002084 /nfs/dbraw/zinc/00/20/84/209002084.db2.gz WJZDRNRWAVRSIB-QZTJIDSGSA-N 1 1 360.502 1.178 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C2CCN(C(=O)c3ccncc3)CC2)C[C@@H]1CO ZINC000091876683 209002089 /nfs/dbraw/zinc/00/20/89/209002089.db2.gz WJZDRNRWAVRSIB-QZTJIDSGSA-N 1 1 360.502 1.178 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1COc3ccccc3O1)CC2 ZINC000091907863 209004441 /nfs/dbraw/zinc/00/44/41/209004441.db2.gz WZHOBTCCACWKIS-KRWDZBQOSA-N 1 1 368.437 1.555 50 0 FDAAMO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)cc1Cl ZINC000091943834 209007961 /nfs/dbraw/zinc/00/79/61/209007961.db2.gz FURAEEVVKKSWBG-GOEBONIOSA-N 1 1 366.893 1.947 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(S(N)(=O)=O)ccc1C)C2 ZINC000095355812 209024161 /nfs/dbraw/zinc/02/41/61/209024161.db2.gz VFDZJGYKMLILPR-HUUCEWRRSA-N 1 1 365.499 1.589 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)no1 ZINC000095356437 209026550 /nfs/dbraw/zinc/02/65/50/209026550.db2.gz KOAAEKUCKATENZ-LJQANCHMSA-N 1 1 360.458 1.532 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCCOc1ccccc1)C2 ZINC000092066068 209015955 /nfs/dbraw/zinc/01/59/55/209015955.db2.gz QZLFONFLFSPNNX-IAGOWNOFSA-N 1 1 367.515 1.658 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1C ZINC000095366608 209031282 /nfs/dbraw/zinc/03/12/82/209031282.db2.gz MZNXJAVYTHNAIS-INIZCTEOSA-N 1 1 365.441 1.783 50 0 FDAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000095371327 209034798 /nfs/dbraw/zinc/03/47/98/209034798.db2.gz QVUXZGDLPQRZNT-QGZVFWFLSA-N 1 1 352.504 1.718 50 0 FDAAMO CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095372381 209035045 /nfs/dbraw/zinc/03/50/45/209035045.db2.gz OPKUUBLRTJZCHO-OAHLLOKOSA-N 1 1 362.474 1.839 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)n1C ZINC000095373159 209035132 /nfs/dbraw/zinc/03/51/32/209035132.db2.gz FZKRYLSDOLVICR-ZDUSSCGKSA-N 1 1 364.475 1.040 50 0 FDAAMO O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095382432 209040036 /nfs/dbraw/zinc/04/00/36/209040036.db2.gz YLAGQYXSZODFMO-AZUAARDMSA-N 1 1 358.482 1.823 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000095380449 209040540 /nfs/dbraw/zinc/04/05/40/209040540.db2.gz YVFLBGCAYXEEIS-AWEZNQCLSA-N 1 1 374.880 1.789 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOC1=O)C2 ZINC000095392766 209048235 /nfs/dbraw/zinc/04/82/35/209048235.db2.gz TZTZKFPAYDTJPF-LSDHHAIUSA-N 1 1 362.430 1.166 50 0 FDAAMO C[C@H](C(=O)NC(=O)NC1CCCC1)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000070012677 221330507 /nfs/dbraw/zinc/33/05/07/221330507.db2.gz FZPOHNVUCVENPA-CYBMUJFWSA-N 1 1 365.503 1.812 50 0 FDAAMO C[C@H](C(=O)NC(=O)NC1CCCC1)[N@H+]1CCCN(c2nccs2)CC1 ZINC000070012677 221330508 /nfs/dbraw/zinc/33/05/08/221330508.db2.gz FZPOHNVUCVENPA-CYBMUJFWSA-N 1 1 365.503 1.812 50 0 FDAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CNC(=O)N(C)C)C1 ZINC000095516614 209069985 /nfs/dbraw/zinc/06/99/85/209069985.db2.gz WOJDTMFKKRQIGU-SFHVURJKSA-N 1 1 374.529 1.979 50 0 FDAAMO CN(C[C@H](O)CO)c1ccnc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000095511696 209069071 /nfs/dbraw/zinc/06/90/71/209069071.db2.gz GRXFCKKIMIVIEB-KRWDZBQOSA-N 1 1 363.506 1.111 50 0 FDAAMO CN1CC2(CCC1=O)CCN(c1nc(N3CCC[C@@H](O)C3)cc[nH+]1)CC2 ZINC000091713433 132203283 /nfs/dbraw/zinc/20/32/83/132203283.db2.gz LPTZTZSPVBTXBE-OAHLLOKOSA-N 1 1 359.474 1.277 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(OC)nc(N)n1)CC2 ZINC000091914954 132204645 /nfs/dbraw/zinc/20/46/45/132204645.db2.gz GLTAFZRZNOOIHH-UHFFFAOYSA-N 1 1 371.489 1.944 50 0 FDAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCN(c2cc(C)cc(C)c2)C(=O)C1 ZINC000091965511 132205188 /nfs/dbraw/zinc/20/51/88/132205188.db2.gz OSCRBQXJSRYULQ-SFHVURJKSA-N 1 1 355.442 1.519 50 0 FDAAMO Nc1cc[nH+]c(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)n1 ZINC000092077653 132206141 /nfs/dbraw/zinc/20/61/41/132206141.db2.gz WCUIWKCBAFBQQP-UHFFFAOYSA-N 1 1 367.457 1.462 50 0 FDAAMO Cc1cccnc1C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000093175385 132206323 /nfs/dbraw/zinc/20/63/23/132206323.db2.gz BVJSEFOQWUSTMG-UHFFFAOYSA-N 1 1 354.458 1.339 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000095369124 132208674 /nfs/dbraw/zinc/20/86/74/132208674.db2.gz LYLFUOIQPYWNST-INIZCTEOSA-N 1 1 359.474 1.016 50 0 FDAAMO Cc1ccc(CSc2nc(N3CCC(O)(CO)CC3)cc(N)[nH+]2)cc1 ZINC000095383618 132209694 /nfs/dbraw/zinc/20/96/94/132209694.db2.gz ODNLMAFNPKYULW-UHFFFAOYSA-N 1 1 360.483 1.983 50 0 FDAAMO Cc1ccc(CSc2nc(N)cc(N3CCC(O)(CO)CC3)[nH+]2)cc1 ZINC000095383618 132209695 /nfs/dbraw/zinc/20/96/95/132209695.db2.gz ODNLMAFNPKYULW-UHFFFAOYSA-N 1 1 360.483 1.983 50 0 FDAAMO COCCn1cc[nH+]c1C1CCN(c2nc3c(cc2C(N)=O)CCC3)CC1 ZINC000095528709 132214957 /nfs/dbraw/zinc/21/49/57/132214957.db2.gz AAIGVMYYPYTLTP-UHFFFAOYSA-N 1 1 369.469 1.896 50 0 FDAAMO COc1ccnc(N2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)n1 ZINC000106964440 132240952 /nfs/dbraw/zinc/24/09/52/132240952.db2.gz QAYBLNMEKSTNON-SFHVURJKSA-N 1 1 356.470 1.991 50 0 FDAAMO Cc1cccc(CN2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)c1 ZINC000243956752 132290044 /nfs/dbraw/zinc/29/00/44/132290044.db2.gz CDLIGZSXRDMFQY-CALCHBBNSA-N 1 1 352.486 1.894 50 0 FDAAMO O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)N1CCN(c2ccccc2)CC1 ZINC000004058195 132386315 /nfs/dbraw/zinc/38/63/15/132386315.db2.gz UWBQHZKARFQCON-KSZLIROESA-N 1 1 356.470 1.125 50 0 FDAAMO C1CCC([N@H+]2CCCN(c3nc4nonc4nc3N3CCOCC3)CC2)C1 ZINC000012090321 132852447 /nfs/dbraw/zinc/85/24/47/132852447.db2.gz KOICHBVEDDVLAG-UHFFFAOYSA-N 1 1 373.461 1.304 50 0 FDAAMO O=C(Cn1cccn1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000055281038 136126447 /nfs/dbraw/zinc/12/64/47/136126447.db2.gz RSIHQHJNACHSKT-QGZVFWFLSA-N 1 1 371.460 1.835 50 0 FDAAMO Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3C(C)C)CC2)c1 ZINC000055342735 136126518 /nfs/dbraw/zinc/12/65/18/136126518.db2.gz RSGNGEMICLCKFX-LJQANCHMSA-N 1 1 372.513 1.551 50 0 FDAAMO Cc1cc(C)cc(N2CCN(C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C(C)C)CC2)c1 ZINC000055342735 136126519 /nfs/dbraw/zinc/12/65/19/136126519.db2.gz RSGNGEMICLCKFX-LJQANCHMSA-N 1 1 372.513 1.551 50 0 FDAAMO CCCCN1c2ncccc2O[C@@](C)(C(=O)N2CC[NH+](CC)CC2)C1=O ZINC000064759704 136133730 /nfs/dbraw/zinc/13/37/30/136133730.db2.gz ODOPGKLLTCPDOQ-IBGZPJMESA-N 1 1 360.458 1.530 50 0 FDAAMO O[C@H]1CCCN(c2cc[nH+]c(NCCc3nc(-c4ccncc4)n[nH]3)n2)C1 ZINC000065428505 136136391 /nfs/dbraw/zinc/13/63/91/136136391.db2.gz JJWJGWIUPHRRAN-AWEZNQCLSA-N 1 1 366.429 1.272 50 0 FDAAMO Cc1ccc(C2(O)CCN(c3nc(N4CCC(O)CC4)cc[nH+]3)CC2)nc1 ZINC000067674354 136137234 /nfs/dbraw/zinc/13/72/34/136137234.db2.gz MUTGXJSMURTQCO-UHFFFAOYSA-N 1 1 369.469 1.629 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(c3ncnc4nc[nH]c43)CC2)C1 ZINC000071760768 136140477 /nfs/dbraw/zinc/14/04/77/136140477.db2.gz UJGFVDKSKVJNRF-ZDUSSCGKSA-N 1 1 369.473 1.312 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000071760768 136140478 /nfs/dbraw/zinc/14/04/78/136140478.db2.gz UJGFVDKSKVJNRF-ZDUSSCGKSA-N 1 1 369.473 1.312 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(c3ncnc4[nH]cnc43)CC2)C1 ZINC000071760768 136140479 /nfs/dbraw/zinc/14/04/79/136140479.db2.gz UJGFVDKSKVJNRF-ZDUSSCGKSA-N 1 1 369.473 1.312 50 0 FDAAMO Cc1cc(N2CC[NH2+][C@@H](C(=O)N3CCCC3)C2)nc(-c2ccccc2)n1 ZINC000072122448 136141923 /nfs/dbraw/zinc/14/19/23/136141923.db2.gz MRTHHOWOOBZMKM-QGZVFWFLSA-N 1 1 351.454 1.853 50 0 FDAAMO Cc1cccc(N2CCC([N@H+]3CCN[C@@H](C(=O)NC4CC4)C3)CC2)c1C ZINC000072165859 136143426 /nfs/dbraw/zinc/14/34/26/136143426.db2.gz XBCSSCXZFWFNLB-LJQANCHMSA-N 1 1 356.514 1.825 50 0 FDAAMO COc1ccnc(N2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)n1 ZINC000072425743 136146420 /nfs/dbraw/zinc/14/64/20/136146420.db2.gz QAYBLNMEKSTNON-GOSISDBHSA-N 1 1 356.470 1.991 50 0 FDAAMO O=C(c1cnccn1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000072442349 136147831 /nfs/dbraw/zinc/14/78/31/136147831.db2.gz XVRJXOXHILQVDT-UHFFFAOYSA-N 1 1 353.430 1.219 50 0 FDAAMO COc1ccccc1C(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000072446790 136148154 /nfs/dbraw/zinc/14/81/54/136148154.db2.gz MPVBXIXSNDKHOB-UHFFFAOYSA-N 1 1 355.442 1.822 50 0 FDAAMO O[C@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000023373306 136152686 /nfs/dbraw/zinc/15/26/86/136152686.db2.gz BQNORJNAJBPJBY-LKKUEKHWSA-N 1 1 364.493 1.962 50 0 FDAAMO CN(C)S(=O)(=O)CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000332308974 259256356 /nfs/dbraw/zinc/25/63/56/259256356.db2.gz IJJZZNOEPYEVEC-UHFFFAOYSA-N 1 1 367.515 1.045 50 0 FDAAMO OC[C@]1(c2ccccc2)CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000374589352 261158038 /nfs/dbraw/zinc/15/80/38/261158038.db2.gz ZPVWOLZAOXEHAI-FQEVSTJZSA-N 1 1 354.454 1.844 50 0 FDAAMO Cc1ccc(N2CCN(CCC[N@@H+](C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000019772699 263376442 /nfs/dbraw/zinc/37/64/42/263376442.db2.gz CTCDNFPNAWOKFT-IBGZPJMESA-N 1 1 365.543 1.626 50 0 FDAAMO Cc1ccc(N2CCN(CCC[N@H+](C)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000019772699 263376444 /nfs/dbraw/zinc/37/64/44/263376444.db2.gz CTCDNFPNAWOKFT-IBGZPJMESA-N 1 1 365.543 1.626 50 0 FDAAMO CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(F)cc2)c(=O)n1C ZINC000008724919 518485288 /nfs/dbraw/zinc/48/52/88/518485288.db2.gz RDQMZGLDSKUGGC-UHFFFAOYSA-N 1 1 370.388 1.300 50 0 FDAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008746438 518486028 /nfs/dbraw/zinc/48/60/28/518486028.db2.gz VVBQOUDKUGJYIZ-HOCLYGCPSA-N 1 1 365.499 1.781 50 0 FDAAMO Cn1cc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)cn1 ZINC000012449248 518615439 /nfs/dbraw/zinc/61/54/39/518615439.db2.gz GTGKMFLJOZTWQH-WOJBJXKFSA-N 1 1 373.476 1.317 50 0 FDAAMO Cn1cc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)cn1 ZINC000012449248 518615452 /nfs/dbraw/zinc/61/54/52/518615452.db2.gz GTGKMFLJOZTWQH-WOJBJXKFSA-N 1 1 373.476 1.317 50 0 FDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000012990626 518646837 /nfs/dbraw/zinc/64/68/37/518646837.db2.gz UAAOGIXGFFQODY-MRXNPFEDSA-N 1 1 358.438 1.963 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000013364097 518656633 /nfs/dbraw/zinc/65/66/33/518656633.db2.gz BUXIBRXACJCCAY-CYBMUJFWSA-N 1 1 358.398 1.603 50 0 FDAAMO CCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OCC)cc1 ZINC000013371990 518657741 /nfs/dbraw/zinc/65/77/41/518657741.db2.gz LXOUBLQUHHJLGY-GJZGRUSLSA-N 1 1 361.485 1.024 50 0 FDAAMO CC(C)(C)N1C[C@@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1=O ZINC000091645504 518716275 /nfs/dbraw/zinc/71/62/75/518716275.db2.gz HBCGMZLGWFQGQW-KRWDZBQOSA-N 1 1 358.486 1.763 50 0 FDAAMO CC(C)(C)N1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1=O ZINC000091645504 518716287 /nfs/dbraw/zinc/71/62/87/518716287.db2.gz HBCGMZLGWFQGQW-KRWDZBQOSA-N 1 1 358.486 1.763 50 0 FDAAMO COCCNC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422497 518757736 /nfs/dbraw/zinc/75/77/36/518757736.db2.gz KZUCNCFQOGDWLB-UHFFFAOYSA-N 1 1 360.380 1.375 50 0 FDAAMO COCCNC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422497 518757748 /nfs/dbraw/zinc/75/77/48/518757748.db2.gz KZUCNCFQOGDWLB-UHFFFAOYSA-N 1 1 360.380 1.375 50 0 FDAAMO C[NH+]1CCN(C(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)CC1 ZINC000019868605 518839939 /nfs/dbraw/zinc/83/99/39/518839939.db2.gz VKPQKNZSOFLQPW-UHFFFAOYSA-N 1 1 361.467 1.380 50 0 FDAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(O)c2)CC[C@H]1N1CCOCC1 ZINC000020271207 518847062 /nfs/dbraw/zinc/84/70/62/518847062.db2.gz HWYOXYJCKLZXGT-PKOBYXMFSA-N 1 1 362.470 1.868 50 0 FDAAMO C[C@@H]1CCCc2sc3nc(N4CC[NH+](CCO)CC4)n4ncnc4c3c21 ZINC000020503126 518852043 /nfs/dbraw/zinc/85/20/43/518852043.db2.gz YXNHIRUGHMZEDA-GFCCVEGCSA-N 1 1 372.498 1.893 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N3CCC[C@@H](OC)C3)Cc3ccccc3C2)CC1 ZINC000020540098 518854246 /nfs/dbraw/zinc/85/42/46/518854246.db2.gz ZRNBXNWPAVWTRI-HXUWFJFHSA-N 1 1 371.525 1.799 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021638073 518879388 /nfs/dbraw/zinc/87/93/88/518879388.db2.gz KGZYWYHKXLDRKF-UHFFFAOYSA-N 1 1 369.425 1.560 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000021871149 518883485 /nfs/dbraw/zinc/88/34/85/518883485.db2.gz STQKSEXOHJOHLY-QGZVFWFLSA-N 1 1 365.499 1.312 50 0 FDAAMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c(OC)c1 ZINC000025301347 519052989 /nfs/dbraw/zinc/05/29/89/519052989.db2.gz JWMHKTRBDKPMFD-YJBOKZPZSA-N 1 1 350.459 1.534 50 0 FDAAMO C[N@@H+]1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000030030010 519345556 /nfs/dbraw/zinc/34/55/56/519345556.db2.gz QATVTYSKNRVEMY-GOSISDBHSA-N 1 1 352.438 1.984 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000030030010 519345562 /nfs/dbraw/zinc/34/55/62/519345562.db2.gz QATVTYSKNRVEMY-GOSISDBHSA-N 1 1 352.438 1.984 50 0 FDAAMO CCN(CC)C(=O)C(=O)N[C@H](C)[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287644 520439691 /nfs/dbraw/zinc/43/96/91/520439691.db2.gz FBHHSMPDVJKVQG-GDBMZVCRSA-N 1 1 366.531 1.410 50 0 FDAAMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C)cnc1N ZINC000089977219 521632373 /nfs/dbraw/zinc/63/23/73/521632373.db2.gz UMOKHHPAXBLDAW-OAHLLOKOSA-N 1 1 369.535 1.009 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C)cnc1N ZINC000089977219 521632377 /nfs/dbraw/zinc/63/23/77/521632377.db2.gz UMOKHHPAXBLDAW-OAHLLOKOSA-N 1 1 369.535 1.009 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1 ZINC000020723961 521664597 /nfs/dbraw/zinc/66/45/97/521664597.db2.gz OVRFTJLKGSZQJC-UHFFFAOYSA-N 1 1 360.845 1.728 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)[nH]1 ZINC000071639086 522116536 /nfs/dbraw/zinc/11/65/36/522116536.db2.gz CYDPHTRAAGBJQL-GJZGRUSLSA-N 1 1 370.453 1.971 50 0 FDAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1OC ZINC000071589732 522116949 /nfs/dbraw/zinc/11/69/49/522116949.db2.gz DOUVJKXZDFUKAQ-CYBMUJFWSA-N 1 1 373.409 1.175 50 0 FDAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1OC ZINC000071589732 522116958 /nfs/dbraw/zinc/11/69/58/522116958.db2.gz DOUVJKXZDFUKAQ-CYBMUJFWSA-N 1 1 373.409 1.175 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000071681586 522118186 /nfs/dbraw/zinc/11/81/86/522118186.db2.gz MAWKCFQYYJOPAK-INIZCTEOSA-N 1 1 371.485 1.917 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000071681586 522118194 /nfs/dbraw/zinc/11/81/94/522118194.db2.gz MAWKCFQYYJOPAK-INIZCTEOSA-N 1 1 371.485 1.917 50 0 FDAAMO Cn1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071575881 522118487 /nfs/dbraw/zinc/11/84/87/522118487.db2.gz MXPGHYLCSUKTNU-INIZCTEOSA-N 1 1 373.501 1.359 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc[nH]3)CC2)C1 ZINC000071745426 522121181 /nfs/dbraw/zinc/12/11/81/522121181.db2.gz WQWAPRMBDQAGQB-HNNXBMFYSA-N 1 1 362.474 1.094 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000071751675 522124354 /nfs/dbraw/zinc/12/43/54/522124354.db2.gz KXQIDLQGPNXKTO-OAHLLOKOSA-N 1 1 356.470 1.677 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000071752788 522127207 /nfs/dbraw/zinc/12/72/07/522127207.db2.gz ZRTWJJYPXXHUGZ-HNNXBMFYSA-N 1 1 366.531 1.582 50 0 FDAAMO COCCCN1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071765470 522128992 /nfs/dbraw/zinc/12/89/92/522128992.db2.gz ONSTUPHSCBGRJK-SFHVURJKSA-N 1 1 374.529 1.911 50 0 FDAAMO Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072136986 522165449 /nfs/dbraw/zinc/16/54/49/522165449.db2.gz RDQORUIBGOABHZ-QGZVFWFLSA-N 1 1 356.470 1.767 50 0 FDAAMO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH2+]C[C@@H]3C(=O)NC3CC3)c12 ZINC000072147165 522173206 /nfs/dbraw/zinc/17/32/06/522173206.db2.gz WZFBVFFIIIJABV-OAHLLOKOSA-N 1 1 369.425 1.101 50 0 FDAAMO COCCc1noc(C[N@@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000072148481 522173664 /nfs/dbraw/zinc/17/36/64/522173664.db2.gz WLSKLWDCLOTIOB-LJQANCHMSA-N 1 1 356.426 1.769 50 0 FDAAMO COCCc1noc(C[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000072148481 522173672 /nfs/dbraw/zinc/17/36/72/522173672.db2.gz WLSKLWDCLOTIOB-LJQANCHMSA-N 1 1 356.426 1.769 50 0 FDAAMO Cc1c2ccccc2sc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1 ZINC000072150189 522174862 /nfs/dbraw/zinc/17/48/62/522174862.db2.gz VZTUOYRIHANIAK-HNNXBMFYSA-N 1 1 373.478 1.483 50 0 FDAAMO CCSc1ccc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)cn1 ZINC000072309330 522211308 /nfs/dbraw/zinc/21/13/08/522211308.db2.gz JOTOFGOHZOHFMH-ZDUSSCGKSA-N 1 1 351.472 1.903 50 0 FDAAMO O=S(=O)(c1ccc(F)c(F)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058174421 522215010 /nfs/dbraw/zinc/21/50/10/522215010.db2.gz HGCNHRRVHGNMLU-ZDUSSCGKSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1ccc(F)c(F)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058174421 522215015 /nfs/dbraw/zinc/21/50/15/522215015.db2.gz HGCNHRRVHGNMLU-ZDUSSCGKSA-N 1 1 360.426 1.840 50 0 FDAAMO CC(C)Cc1nc(CN(C)[C@H]2C[N@H+](C3Cc4ccccc4C3)C[C@@H]2O)no1 ZINC000072411011 522243218 /nfs/dbraw/zinc/24/32/18/522243218.db2.gz GLHISGLNKUZRPP-OALUTQOASA-N 1 1 370.497 1.912 50 0 FDAAMO COCCC[N@H+]1CCCN(C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000058300044 522243338 /nfs/dbraw/zinc/24/33/38/522243338.db2.gz SQJYJEFQMJVZGS-UHFFFAOYSA-N 1 1 365.474 1.958 50 0 FDAAMO NC(=O)c1csc(N2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)n1 ZINC000072431361 522267479 /nfs/dbraw/zinc/26/74/79/522267479.db2.gz XJAFETQGQYBWJF-LBPRGKRZSA-N 1 1 352.485 1.377 50 0 FDAAMO NC(=O)c1csc(N2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)n1 ZINC000072431361 522267486 /nfs/dbraw/zinc/26/74/86/522267486.db2.gz XJAFETQGQYBWJF-LBPRGKRZSA-N 1 1 352.485 1.377 50 0 FDAAMO Cc1cc(CN(C)c2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000072454459 522285307 /nfs/dbraw/zinc/28/53/07/522285307.db2.gz VTLDAPJQRIYHPV-LBPRGKRZSA-N 1 1 364.475 1.015 50 0 FDAAMO CNC(=O)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)ccc1Cl ZINC000062401791 522524379 /nfs/dbraw/zinc/52/43/79/522524379.db2.gz YHQFOJURHSYLRY-LBPRGKRZSA-N 1 1 368.865 1.789 50 0 FDAAMO Cc1csc(N2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 ZINC000064636378 522741447 /nfs/dbraw/zinc/74/14/47/522741447.db2.gz PMOYSRIERXWUDP-CYBMUJFWSA-N 1 1 367.519 1.976 50 0 FDAAMO Cc1csc(N2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC2)n1 ZINC000064636378 522741453 /nfs/dbraw/zinc/74/14/53/522741453.db2.gz PMOYSRIERXWUDP-CYBMUJFWSA-N 1 1 367.519 1.976 50 0 FDAAMO Cc1nn2cc(CCNc3nc(N4CCC[C@H](O)C4)cc[nH+]3)nc2s1 ZINC000065372594 522808857 /nfs/dbraw/zinc/80/88/57/522808857.db2.gz SSTHJZGFVIDZOS-ZDUSSCGKSA-N 1 1 359.459 1.505 50 0 FDAAMO COC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H](C)n1cc[nH+]c1C(C)C)C2 ZINC000065370511 522808933 /nfs/dbraw/zinc/80/89/33/522808933.db2.gz NUBWTQKABLAUGX-CYBMUJFWSA-N 1 1 359.430 1.983 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000065364377 522809463 /nfs/dbraw/zinc/80/94/63/522809463.db2.gz UCZUPAMMMCEPPI-MRXNPFEDSA-N 1 1 367.515 1.622 50 0 FDAAMO Cc1cccc(-n2cc(CN(C)C(=O)CN3CCC[N@@H+](C)CC3)cn2)c1 ZINC000065435718 522822039 /nfs/dbraw/zinc/82/20/39/522822039.db2.gz LDANCTVUIDEKCL-UHFFFAOYSA-N 1 1 355.486 1.777 50 0 FDAAMO Cc1cc(C[C@H](C)NC(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)n[nH]1 ZINC000065454611 522822550 /nfs/dbraw/zinc/82/25/50/522822550.db2.gz RPNGTSDRMNZGBP-ZDUSSCGKSA-N 1 1 357.458 1.670 50 0 FDAAMO COCCCNC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000050275473 522907388 /nfs/dbraw/zinc/90/73/88/522907388.db2.gz XHNQCSFHNINTSK-UHFFFAOYSA-N 1 1 374.407 1.765 50 0 FDAAMO COCCCNC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000050275473 522907394 /nfs/dbraw/zinc/90/73/94/522907394.db2.gz XHNQCSFHNINTSK-UHFFFAOYSA-N 1 1 374.407 1.765 50 0 FDAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCCc2nnnn2-c2ccccc2)C1 ZINC000051908940 523092845 /nfs/dbraw/zinc/09/28/45/523092845.db2.gz TVFMTUXWHNDFEX-KRWDZBQOSA-N 1 1 368.485 1.833 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000077375498 523310220 /nfs/dbraw/zinc/31/02/20/523310220.db2.gz CTONDCCQAUTUEW-GOSISDBHSA-N 1 1 363.477 1.828 50 0 FDAAMO COc1ccc(/C=C/C[N@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)cc1 ZINC000077376979 523311790 /nfs/dbraw/zinc/31/17/90/523311790.db2.gz QTQOVYQCMGZHCU-HNPUZTMESA-N 1 1 367.449 1.969 50 0 FDAAMO C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000077406718 523328156 /nfs/dbraw/zinc/32/81/56/523328156.db2.gz QCSJTWCCUJIOSJ-MRXNPFEDSA-N 1 1 365.499 1.329 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1cccnc1 ZINC000077454328 523343776 /nfs/dbraw/zinc/34/37/76/523343776.db2.gz NMDKVJWUXRRQDE-IAGOWNOFSA-N 1 1 369.421 1.218 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1cccnc1 ZINC000077454328 523343792 /nfs/dbraw/zinc/34/37/92/523343792.db2.gz NMDKVJWUXRRQDE-IAGOWNOFSA-N 1 1 369.421 1.218 50 0 FDAAMO CCn1c(N)c(C(=O)C[N@H+](Cc2ccco2)C2CCCC2)c(=O)[nH]c1=O ZINC000053139764 523355590 /nfs/dbraw/zinc/35/55/90/523355590.db2.gz XTSXOPLMRPDUKY-UHFFFAOYSA-N 1 1 360.414 1.359 50 0 FDAAMO CCn1c(N)c(C(=O)C[N@@H+](Cc2ccco2)C2CCCC2)c(=O)[nH]c1=O ZINC000053139764 523355599 /nfs/dbraw/zinc/35/55/99/523355599.db2.gz XTSXOPLMRPDUKY-UHFFFAOYSA-N 1 1 360.414 1.359 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000077488219 523359520 /nfs/dbraw/zinc/35/95/20/523359520.db2.gz BYWZOQYHFBRXRB-QGZVFWFLSA-N 1 1 351.878 1.441 50 0 FDAAMO O=C(CSc1ncccn1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000067435279 523447995 /nfs/dbraw/zinc/44/79/95/523447995.db2.gz RQMIWFRWNLHJOE-UHFFFAOYSA-N 1 1 354.479 1.880 50 0 FDAAMO COC(=O)c1cc2n(n1)CCC[N@H+](Cc1cc3c(cc1OC)OCO3)C2 ZINC000067490082 523469966 /nfs/dbraw/zinc/46/99/66/523469966.db2.gz CTOKNQRPNDHFGJ-UHFFFAOYSA-N 1 1 359.382 1.813 50 0 FDAAMO COC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cc3c(cc1OC)OCO3)C2 ZINC000067490082 523469979 /nfs/dbraw/zinc/46/99/79/523469979.db2.gz CTOKNQRPNDHFGJ-UHFFFAOYSA-N 1 1 359.382 1.813 50 0 FDAAMO C[C@@H](O)[C@H]([NH3+])C(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067688767 523543351 /nfs/dbraw/zinc/54/33/51/523543351.db2.gz VNIUSDHDFCZLDE-BZNIZROVSA-N 1 1 369.400 1.602 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCN(C)C(=O)c1cc(CN2CCC(O)CC2)on1 ZINC000067726783 523561199 /nfs/dbraw/zinc/56/11/99/523561199.db2.gz WLMWYILSBPPNRL-OAHLLOKOSA-N 1 1 364.490 1.578 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@H+]3CCC[C@H](CO)C3)cc2c(OC)c1OC ZINC000067727098 523562222 /nfs/dbraw/zinc/56/22/22/523562222.db2.gz UYKKJSYQBFPTRM-LBPRGKRZSA-N 1 1 362.426 1.758 50 0 FDAAMO Cn1nc(CN2CC[NH+](CCn3cncn3)CC2)c2c1cccc2Cl ZINC000067742198 523564982 /nfs/dbraw/zinc/56/49/82/523564982.db2.gz CXTJQPHOIQEASB-UHFFFAOYSA-N 1 1 359.865 1.636 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2cc(CC(C)C)nc(N)n2)CC1 ZINC000067742688 523565102 /nfs/dbraw/zinc/56/51/02/523565102.db2.gz QKRLFDNDSRLGAF-UHFFFAOYSA-N 1 1 354.458 1.923 50 0 FDAAMO CC(C)[N@H+]1C[C@H](O)[C@@H](NC(=O)c2coc(COc3cccc(F)c3)n2)C1 ZINC000067755649 523570306 /nfs/dbraw/zinc/57/03/06/523570306.db2.gz QUHJOTOJKQCOJX-HOCLYGCPSA-N 1 1 363.389 1.576 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)NCc3cc(C(C)(C)C)n[nH]3)no2)CC1 ZINC000067802855 523588556 /nfs/dbraw/zinc/58/85/56/523588556.db2.gz SIHSNVRDUBEAHN-UHFFFAOYSA-N 1 1 374.489 1.763 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000252457243 523603630 /nfs/dbraw/zinc/60/36/30/523603630.db2.gz QVMWWBVEPIOJJD-KXBFYZLASA-N 1 1 358.442 1.884 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000252457243 523603636 /nfs/dbraw/zinc/60/36/36/523603636.db2.gz QVMWWBVEPIOJJD-KXBFYZLASA-N 1 1 358.442 1.884 50 0 FDAAMO CCn1ccnc1C[NH2+]C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O ZINC000067868423 523614651 /nfs/dbraw/zinc/61/46/51/523614651.db2.gz QAVZPDBQLYHZKM-HXUWFJFHSA-N 1 1 372.469 1.555 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1cccc(-c3cn[nH]c3)c1)CC2 ZINC000067954625 523647772 /nfs/dbraw/zinc/64/77/72/523647772.db2.gz KWLYYRDMVZGCHY-UHFFFAOYSA-N 1 1 353.470 1.929 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC2)C1 ZINC000067954625 523647781 /nfs/dbraw/zinc/64/77/81/523647781.db2.gz KWLYYRDMVZGCHY-UHFFFAOYSA-N 1 1 353.470 1.929 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(-c4cn[nH]c4)c3)CC2)C1 ZINC000067954625 523647790 /nfs/dbraw/zinc/64/77/90/523647790.db2.gz KWLYYRDMVZGCHY-UHFFFAOYSA-N 1 1 353.470 1.929 50 0 FDAAMO C[N@@H+](Cc1cn(CCC(N)=O)c2ccccc12)CC1(CO)CCOCC1 ZINC000055370056 523804000 /nfs/dbraw/zinc/80/40/00/523804000.db2.gz AWPDPLLGYPNWRM-UHFFFAOYSA-N 1 1 359.470 1.738 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3cccn3C3CC3)C[C@@H]2CO)CC1 ZINC000091390820 523806185 /nfs/dbraw/zinc/80/61/85/523806185.db2.gz UJQSNIYOOUDJGN-IAGOWNOFSA-N 1 1 360.502 1.141 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3cccn3C3CC3)C[C@@H]2CO)CC1 ZINC000091390820 523806191 /nfs/dbraw/zinc/80/61/91/523806191.db2.gz UJQSNIYOOUDJGN-IAGOWNOFSA-N 1 1 360.502 1.141 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3cccn3C3CC3)C[C@@H]2CO)CC1 ZINC000091390820 523806198 /nfs/dbraw/zinc/80/61/98/523806198.db2.gz UJQSNIYOOUDJGN-IAGOWNOFSA-N 1 1 360.502 1.141 50 0 FDAAMO C[N@H+]1CCN2CCN(Cc3cnc(NCc4ccccc4)nc3)C[C@H]2C1 ZINC000252469974 523932161 /nfs/dbraw/zinc/93/21/61/523932161.db2.gz CBBHBUFCOHCMIL-LJQANCHMSA-N 1 1 352.486 1.520 50 0 FDAAMO Cc1ccc(CCN2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000020724524 524324715 /nfs/dbraw/zinc/32/47/15/524324715.db2.gz WRJWDHQXNZVTME-LJQANCHMSA-N 1 1 373.497 1.225 50 0 FDAAMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000173735707 524449295 /nfs/dbraw/zinc/44/92/95/524449295.db2.gz JBKCFLMDQZONNL-GOSISDBHSA-N 1 1 359.470 1.650 50 0 FDAAMO CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000173735707 524449305 /nfs/dbraw/zinc/44/93/05/524449305.db2.gz JBKCFLMDQZONNL-GOSISDBHSA-N 1 1 359.470 1.650 50 0 FDAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)NCc3c(C)noc3C)CC2)cn1 ZINC000112718184 524550817 /nfs/dbraw/zinc/55/08/17/524550817.db2.gz GFHFQXOWAQMRON-UHFFFAOYSA-N 1 1 360.462 1.925 50 0 FDAAMO CCn1cc(C[N@H+]2CCCN(C(=O)NCc3c(C)noc3C)CC2)cn1 ZINC000112718184 524550829 /nfs/dbraw/zinc/55/08/29/524550829.db2.gz GFHFQXOWAQMRON-UHFFFAOYSA-N 1 1 360.462 1.925 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1 ZINC000091304898 524688569 /nfs/dbraw/zinc/68/85/69/524688569.db2.gz ZXMNGHJEJOORRG-DLBZAZTESA-N 1 1 359.470 1.596 50 0 FDAAMO Cc1cccc2nc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)cn21 ZINC000091426546 524703115 /nfs/dbraw/zinc/70/31/15/524703115.db2.gz BTVDASGRYBCSQG-UHFFFAOYSA-N 1 1 364.453 1.985 50 0 FDAAMO Cc1cccc2nc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@@H+]4C)cn21 ZINC000091426546 524703124 /nfs/dbraw/zinc/70/31/24/524703124.db2.gz BTVDASGRYBCSQG-UHFFFAOYSA-N 1 1 364.453 1.985 50 0 FDAAMO Cc1nc(C(C)C)ncc1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091563509 524729498 /nfs/dbraw/zinc/72/94/98/524729498.db2.gz JGLSNUZGJONYKF-IBGZPJMESA-N 1 1 359.474 1.335 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)CC1 ZINC000091586384 524731516 /nfs/dbraw/zinc/73/15/16/524731516.db2.gz PZHFIXJOIZROMF-GOSISDBHSA-N 1 1 368.485 1.873 50 0 FDAAMO CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2F)N(C)C)(N(C)C)CC1 ZINC000091644994 524751774 /nfs/dbraw/zinc/75/17/74/524751774.db2.gz GABSGBAHVSEOOQ-GOSISDBHSA-N 1 1 364.509 1.961 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000091657079 524754961 /nfs/dbraw/zinc/75/49/61/524754961.db2.gz DLSVKBQHHCLBHE-OAHLLOKOSA-N 1 1 353.488 1.113 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ccccn2)CC3)C1 ZINC000091678948 524758456 /nfs/dbraw/zinc/75/84/56/524758456.db2.gz ZOJBXCPOWGJWIC-MRXNPFEDSA-N 1 1 356.470 1.631 50 0 FDAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc(C(=O)NC)c1)C2 ZINC000091690080 524761057 /nfs/dbraw/zinc/76/10/57/524761057.db2.gz GHQGQXLRVFUURO-GDBMZVCRSA-N 1 1 365.499 1.541 50 0 FDAAMO CCn1ccc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091713544 524767566 /nfs/dbraw/zinc/76/75/66/524767566.db2.gz VEZBWQJKQCOPMK-MRXNPFEDSA-N 1 1 373.501 1.452 50 0 FDAAMO c1ncn(Cc2nnc(C3CCN(C4CC[NH2+]CC4)CC3)n2C2CC2)n1 ZINC000091746687 524775289 /nfs/dbraw/zinc/77/52/89/524775289.db2.gz XUEAPSCRIGMRDG-UHFFFAOYSA-N 1 1 356.478 1.184 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@H]1CO ZINC000091859794 524800482 /nfs/dbraw/zinc/80/04/82/524800482.db2.gz DYBHTPBBYQNWCF-QZTJIDSGSA-N 1 1 357.454 1.230 50 0 FDAAMO CC(C)N1CCC[C@H]([NH+]2CCN(c3ccc4nccnc4n3)CC2)C1=O ZINC000095999443 525116198 /nfs/dbraw/zinc/11/61/98/525116198.db2.gz ADHZELYCJXHMJA-INIZCTEOSA-N 1 1 354.458 1.546 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000096116452 525135379 /nfs/dbraw/zinc/13/53/79/525135379.db2.gz GKAFSDCRZWLIML-BBRMVZONSA-N 1 1 358.442 1.118 50 0 biogenic FDAAMO CCc1[nH+]ccn1CCNC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 ZINC000097499660 525185501 /nfs/dbraw/zinc/18/55/01/525185501.db2.gz LDHXNCVPHADMMV-UHFFFAOYSA-N 1 1 370.413 1.666 50 0 FDAAMO O=c1c(=O)c(NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1NCc1ccncc1 ZINC000100795089 525216338 /nfs/dbraw/zinc/21/63/38/525216338.db2.gz LPLQMQYVGORXEX-JKSUJKDBSA-N 1 1 354.454 1.966 50 0 biogenic FDAAMO Cc1ccc[nH+]c1NCCNC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000091664425 525545012 /nfs/dbraw/zinc/54/50/12/525545012.db2.gz VTRLRVGNXWHQFD-UHFFFAOYSA-N 1 1 352.391 1.018 50 0 FDAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000170602450 525640663 /nfs/dbraw/zinc/64/06/63/525640663.db2.gz FMBJEEIUCFFVCT-AWEZNQCLSA-N 1 1 361.442 1.560 50 0 FDAAMO CN1CCN2CC[N@H+](Cc3cnc(NCc4ccccc4)nc3)C[C@H]2C1=O ZINC000106265903 525686940 /nfs/dbraw/zinc/68/69/40/525686940.db2.gz CTMXEOXKTQQDCF-SFHVURJKSA-N 1 1 366.469 1.047 50 0 FDAAMO CN1CCN2CC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)C[C@H]2C1=O ZINC000106265903 525686949 /nfs/dbraw/zinc/68/69/49/525686949.db2.gz CTMXEOXKTQQDCF-SFHVURJKSA-N 1 1 366.469 1.047 50 0 FDAAMO O=C(CCCc1cccs1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091536531 526461265 /nfs/dbraw/zinc/46/12/65/526461265.db2.gz XEBRAMJTLZBYJM-HZPDHXFCSA-N 1 1 352.500 1.470 50 0 FDAAMO O=C(CCCn1sc2ccccc2c1=O)NCCC[NH+]1CCOCC1 ZINC000020467429 526474129 /nfs/dbraw/zinc/47/41/29/526474129.db2.gz VWOHZJCADUQERH-UHFFFAOYSA-N 1 1 363.483 1.682 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)c2cccc(-c3ncc[nH]3)c2)CC1)NC1CC1 ZINC000216538616 526728549 /nfs/dbraw/zinc/72/85/49/526728549.db2.gz PITFNUKEHGSRIH-UHFFFAOYSA-N 1 1 367.453 1.550 50 0 FDAAMO O=C(c1ccco1)N1CCn2nc(CN3CC[N@H+]4CCCC[C@H]4C3)cc2C1 ZINC000244734265 526832560 /nfs/dbraw/zinc/83/25/60/526832560.db2.gz NCEJKOVKEBRCSL-KRWDZBQOSA-N 1 1 369.469 1.802 50 0 FDAAMO Cn1cc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cn1 ZINC000091412167 527182518 /nfs/dbraw/zinc/18/25/18/527182518.db2.gz ADUMZHHZVJHKEH-RBUKOAKNSA-N 1 1 353.470 1.871 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000245225612 527276760 /nfs/dbraw/zinc/27/67/60/527276760.db2.gz ZHZVJGLAUXUGSO-CQSZACIVSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1F)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000245225612 527276767 /nfs/dbraw/zinc/27/67/67/527276767.db2.gz ZHZVJGLAUXUGSO-CQSZACIVSA-N 1 1 360.426 1.840 50 0 FDAAMO CCCc1cc(N2CC[NH2+][C@H](C(=O)NCc3ccccn3)C2)nc(C)n1 ZINC000072145315 535399002 /nfs/dbraw/zinc/39/90/02/535399002.db2.gz DLQJHPYEVHBTLE-KRWDZBQOSA-N 1 1 354.458 1.227 50 0 FDAAMO C[C@H](C(=O)N[C@@H](CO)c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000183913398 536066218 /nfs/dbraw/zinc/06/62/18/536066218.db2.gz OUURDYTWDYABCA-DOMZBBRYSA-N 1 1 370.291 1.235 50 0 FDAAMO O=C(c1cccn1Cc1cccs1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186601881 536237989 /nfs/dbraw/zinc/23/79/89/536237989.db2.gz QXYVJDKENSERQI-HNNXBMFYSA-N 1 1 372.494 1.634 50 0 FDAAMO C[C@H]1CN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC[NH2+]1 ZINC000248094262 537166022 /nfs/dbraw/zinc/16/60/22/537166022.db2.gz WYRNBWHTRILCBJ-HOTGVXAUSA-N 1 1 355.486 1.606 50 0 FDAAMO CC(C)C(=O)N1CCc2nnc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)n2CC1 ZINC000257190492 537252633 /nfs/dbraw/zinc/25/26/33/537252633.db2.gz MWCVRLLNDBJEPT-QGZVFWFLSA-N 1 1 368.485 1.703 50 0 FDAAMO Cn1c(CO)nnc1[C@@H]1CCC[N@@H+](CCn2c3ccccc3oc2=O)C1 ZINC000215109919 537435557 /nfs/dbraw/zinc/43/55/57/537435557.db2.gz IDWLVZKOEMKDJP-CYBMUJFWSA-N 1 1 357.414 1.095 50 0 FDAAMO COc1ccc2ncc(C(=O)N3CCC([NH+]4CCOCC4)CC3)c(O)c2c1 ZINC000215525780 537438853 /nfs/dbraw/zinc/43/88/53/537438853.db2.gz ZDNXARGAYQJJPR-UHFFFAOYSA-N 1 1 371.437 1.474 50 0 FDAAMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000215656968 537438980 /nfs/dbraw/zinc/43/89/80/537438980.db2.gz WMUMQLAMUVDSPX-LJQANCHMSA-N 1 1 361.486 1.498 50 0 FDAAMO O=C(COc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000215746999 537441208 /nfs/dbraw/zinc/44/12/08/537441208.db2.gz QACNRAKSGJFLFE-GOSISDBHSA-N 1 1 359.470 1.204 50 0 FDAAMO C[C@H]1CCC[N@@H+](CCOc2ccc(CN3CCN(C(N)=O)CC3)cc2)C1 ZINC000216409706 537448060 /nfs/dbraw/zinc/44/80/60/537448060.db2.gz XDJOJIPIELFFHN-KRWDZBQOSA-N 1 1 360.502 1.994 50 0 FDAAMO C[N@@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)[C@@H]1CCCC[C@@H]1O ZINC000216408168 537448543 /nfs/dbraw/zinc/44/85/43/537448543.db2.gz OHGZBZJBJLRHST-MOPGFXCFSA-N 1 1 362.470 1.660 50 0 FDAAMO Cc1nnccc1C(=O)NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284629923 537463198 /nfs/dbraw/zinc/46/31/98/537463198.db2.gz QGRSBDLGXJKTJG-KBXCAEBGSA-N 1 1 354.458 1.864 50 0 FDAAMO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCn1cc(Cl)cn1)C2 ZINC000218814950 537467006 /nfs/dbraw/zinc/46/70/06/537467006.db2.gz GYWVBVIHNCAZBX-HNNXBMFYSA-N 1 1 361.837 1.064 50 0 FDAAMO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@@H+](CCn1cc(Cl)cn1)C2 ZINC000218814950 537467024 /nfs/dbraw/zinc/46/70/24/537467024.db2.gz GYWVBVIHNCAZBX-HNNXBMFYSA-N 1 1 361.837 1.064 50 0 FDAAMO CCc1nc(C)sc1CNC(=O)CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000219166304 537470781 /nfs/dbraw/zinc/47/07/81/537470781.db2.gz TYXPUYMQXAICAX-GFCCVEGCSA-N 1 1 359.517 1.139 50 0 FDAAMO CCc1nc(C)sc1CNC(=O)CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000219166304 537470791 /nfs/dbraw/zinc/47/07/91/537470791.db2.gz TYXPUYMQXAICAX-GFCCVEGCSA-N 1 1 359.517 1.139 50 0 FDAAMO C[N@H+](CCC(=O)NCc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000219318911 537475676 /nfs/dbraw/zinc/47/56/76/537475676.db2.gz RPPCTERLTSQECC-MRXNPFEDSA-N 1 1 366.483 1.137 50 0 FDAAMO C[N@@H+](CCC(=O)NCc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000219318911 537475685 /nfs/dbraw/zinc/47/56/85/537475685.db2.gz RPPCTERLTSQECC-MRXNPFEDSA-N 1 1 366.483 1.137 50 0 FDAAMO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NS(=O)(=O)c1cc2ccccc2s1 ZINC000220687519 537494160 /nfs/dbraw/zinc/49/41/60/537494160.db2.gz PXEMIGLGEPWMPF-MSQAHXEGSA-N 1 1 352.481 1.897 50 0 FDAAMO CCNC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2CC)CC1 ZINC000222384427 537508136 /nfs/dbraw/zinc/50/81/36/537508136.db2.gz DYAPPKKORGKEQM-SFHVURJKSA-N 1 1 358.486 1.743 50 0 FDAAMO CCNC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccccc3C[N@H+]2CC)CC1 ZINC000222384427 537508142 /nfs/dbraw/zinc/50/81/42/537508142.db2.gz DYAPPKKORGKEQM-SFHVURJKSA-N 1 1 358.486 1.743 50 0 FDAAMO Cc1nnnn1CCC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000222712310 537511282 /nfs/dbraw/zinc/51/12/82/537511282.db2.gz KISXXYCBJVJOQR-UHFFFAOYSA-N 1 1 354.458 1.073 50 0 FDAAMO CCc1noc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230187800 537579225 /nfs/dbraw/zinc/57/92/25/537579225.db2.gz NGSGQUSYVNVOKU-LJQANCHMSA-N 1 1 361.490 1.541 50 0 FDAAMO Cc1nc(-c2ccc(NC(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)n[nH]1 ZINC000299777302 537595072 /nfs/dbraw/zinc/59/50/72/537595072.db2.gz KYKDTFRJGAHANM-AWEZNQCLSA-N 1 1 371.445 1.099 50 0 FDAAMO CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CCOCC1 ZINC000240225429 537645677 /nfs/dbraw/zinc/64/56/77/537645677.db2.gz DHTATQQFEKFZSJ-HKUYNNGSSA-N 1 1 369.550 1.741 50 0 FDAAMO CN(C)S(=O)(=O)CCC[N@@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000244690854 537650400 /nfs/dbraw/zinc/65/04/00/537650400.db2.gz IYCXFQJTNGLFIC-UHFFFAOYSA-N 1 1 363.487 1.085 50 0 FDAAMO Cc1nonc1N1CCN(C(=O)[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)CC1 ZINC000244734729 537651098 /nfs/dbraw/zinc/65/10/98/537651098.db2.gz NKXLGGDCWVPAAZ-INIZCTEOSA-N 1 1 373.413 1.058 50 0 FDAAMO COc1ccc([C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]2C[C@@H](O)C2)cc1F ZINC000244734990 537652436 /nfs/dbraw/zinc/65/24/36/537652436.db2.gz NRBKFDQXEUKOKQ-ZRGWGRIASA-N 1 1 366.433 1.485 50 0 FDAAMO Nc1nnc(SCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000244852854 537654432 /nfs/dbraw/zinc/65/44/32/537654432.db2.gz VAAVDVKZYFCKEA-CYBMUJFWSA-N 1 1 363.512 1.851 50 0 FDAAMO Cc1cc2occ(CC(=O)N3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)c2c(C)c1 ZINC000426674277 538122834 /nfs/dbraw/zinc/12/28/34/538122834.db2.gz QSXZAGCFFPSZEY-ROUUACIJSA-N 1 1 372.465 1.886 50 0 FDAAMO Cc1cc2occ(CC(=O)N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)c2c(C)c1 ZINC000426674277 538122838 /nfs/dbraw/zinc/12/28/38/538122838.db2.gz QSXZAGCFFPSZEY-ROUUACIJSA-N 1 1 372.465 1.886 50 0 FDAAMO C[N@@H+]1CCN(C(=O)NCc2ccccc2OC(F)(F)F)C[C@@H]1CCO ZINC000426739975 538127164 /nfs/dbraw/zinc/12/71/64/538127164.db2.gz XMJPZWUJLJCMTP-ZDUSSCGKSA-N 1 1 361.364 1.793 50 0 FDAAMO C[N@H+]1CCN(C(=O)NCc2ccccc2OC(F)(F)F)C[C@@H]1CCO ZINC000426739975 538127168 /nfs/dbraw/zinc/12/71/68/538127168.db2.gz XMJPZWUJLJCMTP-ZDUSSCGKSA-N 1 1 361.364 1.793 50 0 FDAAMO CCO[C@H]1COC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000584891940 551565523 /nfs/dbraw/zinc/56/55/23/551565523.db2.gz WOGQQGDVAATLBU-ROUUACIJSA-N 1 1 365.449 1.847 50 0 FDAAMO CCO[C@H]1COC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000584891940 551565524 /nfs/dbraw/zinc/56/55/24/551565524.db2.gz WOGQQGDVAATLBU-ROUUACIJSA-N 1 1 365.449 1.847 50 0 FDAAMO CC(C)n1cnnc1CCn1cnc2sc3c(c2c1=O)CC[N@@H+](C)C3 ZINC000584892287 551565919 /nfs/dbraw/zinc/56/59/19/551565919.db2.gz YXOWKHQMGHXDSJ-UHFFFAOYSA-N 1 1 358.471 1.861 50 0 FDAAMO CC(C)n1cnnc1CCn1cnc2sc3c(c2c1=O)CC[N@H+](C)C3 ZINC000584892287 551565921 /nfs/dbraw/zinc/56/59/21/551565921.db2.gz YXOWKHQMGHXDSJ-UHFFFAOYSA-N 1 1 358.471 1.861 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC1)NC1CC1 ZINC000584895672 551566639 /nfs/dbraw/zinc/56/66/39/551566639.db2.gz ZKCSWQNJSOEHDK-CQSZACIVSA-N 1 1 374.489 1.042 50 0 FDAAMO O=S(=O)(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cnn(CC(F)F)c1 ZINC000187232175 570874249 /nfs/dbraw/zinc/87/42/49/570874249.db2.gz QVTSXLDJATYBLX-CYBMUJFWSA-N 1 1 362.446 1.691 50 0 FDAAMO C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)C[C@@H]1C ZINC000108163331 570903727 /nfs/dbraw/zinc/90/37/27/570903727.db2.gz WUQZAIYRSLANHO-GJZGRUSLSA-N 1 1 362.474 1.467 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1 ZINC000263616470 571046359 /nfs/dbraw/zinc/04/63/59/571046359.db2.gz IWOQNRPOMGHUGM-QGZVFWFLSA-N 1 1 373.432 1.855 50 0 FDAAMO Cn1cc(C[C@@H]2CCN(C(=O)c3cnc(C4CC[NH+](C)CC4)[nH]3)C2)cn1 ZINC000685941833 571102407 /nfs/dbraw/zinc/10/24/07/571102407.db2.gz JICHBULWLDAYJN-AWEZNQCLSA-N 1 1 356.474 1.657 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3cc(C(F)(F)F)n(C)n3)C2)[nH+]c(N)n1 ZINC000244899801 571120215 /nfs/dbraw/zinc/12/02/15/571120215.db2.gz ZQIUEIPARAMIBG-OCAPTIKFSA-N 1 1 369.351 1.529 50 0 FDAAMO CN(Cc1nc2ccccc2[nH]1)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426513567 571129110 /nfs/dbraw/zinc/12/91/10/571129110.db2.gz GGMRKTGPMDLNRF-CYBMUJFWSA-N 1 1 368.441 1.897 50 0 FDAAMO COc1ccccc1CCNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426535940 571134257 /nfs/dbraw/zinc/13/42/57/571134257.db2.gz SEFLVUOWZSUJAZ-OAHLLOKOSA-N 1 1 370.453 1.825 50 0 FDAAMO C[C@H](C[N@@H+](C)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1)N1CCOCC1 ZINC000253536180 571137458 /nfs/dbraw/zinc/13/74/58/571137458.db2.gz BEZGLRUDMRJWSI-CYBMUJFWSA-N 1 1 358.442 1.192 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](CCc4cn[nH]c4)C3)CCC2=O)cn1 ZINC000077353568 571140139 /nfs/dbraw/zinc/14/01/39/571140139.db2.gz AZEMCTNDLHVZHN-HXUWFJFHSA-N 1 1 368.485 1.955 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000150845412 571160370 /nfs/dbraw/zinc/16/03/70/571160370.db2.gz JHFCKZWMNXRHBR-NSHDSACASA-N 1 1 350.843 1.726 50 0 FDAAMO OC1CN(c2nc(N3CC(c4nccs4)C3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299755192 571191758 /nfs/dbraw/zinc/19/17/58/571191758.db2.gz BAUFWPJDQRRNQW-LLVKDONJSA-N 1 1 359.455 1.222 50 0 FDAAMO O=C([C@H]1CC(=O)OC12CCCC2)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299755166 571191883 /nfs/dbraw/zinc/19/18/83/571191883.db2.gz CTPDUTYEPRNHID-QGZVFWFLSA-N 1 1 357.454 1.992 50 0 FDAAMO O=C([C@H]1CC(=O)OC12CCCC2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299755166 571191885 /nfs/dbraw/zinc/19/18/85/571191885.db2.gz CTPDUTYEPRNHID-QGZVFWFLSA-N 1 1 357.454 1.992 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000299756032 571192140 /nfs/dbraw/zinc/19/21/40/571192140.db2.gz ANMIVMJVRBYMAQ-QGZVFWFLSA-N 1 1 361.461 1.964 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000299756032 571192143 /nfs/dbraw/zinc/19/21/43/571192143.db2.gz ANMIVMJVRBYMAQ-QGZVFWFLSA-N 1 1 361.461 1.964 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-n2cnnc2)C[C@H]1CCO ZINC000299760784 571193392 /nfs/dbraw/zinc/19/33/92/571193392.db2.gz OZIXBFJQNHWTLD-MRXNPFEDSA-N 1 1 357.458 1.432 50 0 FDAAMO Cc1c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cnc2cc(=O)[nH]n21 ZINC000299769504 571195454 /nfs/dbraw/zinc/19/54/54/571195454.db2.gz XSGSLZRFGSMIJB-HUUCEWRRSA-N 1 1 355.442 1.277 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@H]2O)no1 ZINC000299789223 571200176 /nfs/dbraw/zinc/20/01/76/571200176.db2.gz UNMGZQQCHXXIGA-CZUORRHYSA-N 1 1 371.397 1.331 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@H]2O)no1 ZINC000299789223 571200179 /nfs/dbraw/zinc/20/01/79/571200179.db2.gz UNMGZQQCHXXIGA-CZUORRHYSA-N 1 1 371.397 1.331 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000299792228 571201124 /nfs/dbraw/zinc/20/11/24/571201124.db2.gz DUQMFVVQDYQONP-CQSZACIVSA-N 1 1 373.457 1.132 50 0 FDAAMO CCOc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299794511 571201562 /nfs/dbraw/zinc/20/15/62/571201562.db2.gz JPYFEWJRBOMSTR-IAGOWNOFSA-N 1 1 374.441 1.450 50 0 FDAAMO CCOc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299794511 571201563 /nfs/dbraw/zinc/20/15/63/571201563.db2.gz JPYFEWJRBOMSTR-IAGOWNOFSA-N 1 1 374.441 1.450 50 0 FDAAMO O=C(c1ccccn1)N1CCC([N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1 ZINC000299795500 571201939 /nfs/dbraw/zinc/20/19/39/571201939.db2.gz LUICATKFVZOPHX-ZWKOTPCHSA-N 1 1 368.441 1.124 50 0 FDAAMO O=C(c1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1)N1CCOCC1 ZINC000299798662 571202574 /nfs/dbraw/zinc/20/25/74/571202574.db2.gz RUXYQCIREPLXDE-SFHVURJKSA-N 1 1 357.454 1.469 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cnc4cnccn34)C2)CC1 ZINC000426509509 571229098 /nfs/dbraw/zinc/22/90/98/571229098.db2.gz RCZKEWPXSJDDHZ-HNNXBMFYSA-N 1 1 356.474 1.152 50 0 FDAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)NCCNC(=O)c1ccccc1Cl ZINC000426512394 571229246 /nfs/dbraw/zinc/22/92/46/571229246.db2.gz YXLTTWVMLKZPPQ-CYBMUJFWSA-N 1 1 352.866 1.853 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2cnc3sccn3c2=O)C1 ZINC000426510632 571229322 /nfs/dbraw/zinc/22/93/22/571229322.db2.gz NCLAEVUUTHQDJB-LBPRGKRZSA-N 1 1 365.459 1.236 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000253401368 571312141 /nfs/dbraw/zinc/31/21/41/571312141.db2.gz FNZWSLQNRUAZBN-UHFFFAOYSA-N 1 1 373.409 1.836 50 0 FDAAMO CN(Cc1ccccc1)S(=O)(=O)NCCC[N@H+]1CCC[C@H](CO)C1 ZINC000670454851 571353572 /nfs/dbraw/zinc/35/35/72/571353572.db2.gz LWJDRPXULGXOAK-KRWDZBQOSA-N 1 1 355.504 1.047 50 0 FDAAMO Cc1nc(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)sc1C ZINC000012594478 670614585 /nfs/dbraw/zinc/61/45/85/670614585.db2.gz WOFVBBNURIWUDO-HNNXBMFYSA-N 1 1 364.515 1.552 50 0 FDAAMO Cc1oc(-c2cccs2)nc1CN1CC[C@@H]([NH+]2CCOCC2)[C@H](O)C1 ZINC000020454034 670669748 /nfs/dbraw/zinc/66/97/48/670669748.db2.gz VIUXWMGEHMZTDN-HZPDHXFCSA-N 1 1 363.483 1.979 50 0 FDAAMO CCC(=O)N1CC[C@](CC)([NH+]2CCN(C(=O)C3CCOCC3)CC2)C1 ZINC000169752037 672039384 /nfs/dbraw/zinc/03/93/84/672039384.db2.gz KZECSPFYOSMXRY-IBGZPJMESA-N 1 1 351.491 1.348 50 0 FDAAMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C1 ZINC000175498355 672104480 /nfs/dbraw/zinc/10/44/80/672104480.db2.gz HCRZUVUXQZCPID-QQFBHYJXSA-N 1 1 359.536 1.716 50 0 FDAAMO O=C(NC1CC1)[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CO ZINC000253414488 672598840 /nfs/dbraw/zinc/59/88/40/672598840.db2.gz XQFAZBIBJORUAZ-SWLSCSKDSA-N 1 1 358.360 1.904 50 0 FDAAMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccccc3S(C)(=O)=O)CC[C@@H]21 ZINC000334123302 676782518 /nfs/dbraw/zinc/78/25/18/676782518.db2.gz NDNQKHHXBDOQLH-HOTGVXAUSA-N 1 1 365.499 1.716 50 0 FDAAMO COc1ccccc1-c1n[nH]cc1C[N@@H+](C)[C@@H]1CCc2n[nH]c(=O)n2CC1 ZINC000257174475 793799073 /nfs/dbraw/zinc/79/90/73/793799073.db2.gz HKYWFOMRAMQLRZ-CQSZACIVSA-N 1 1 368.441 1.807 50 0 FDAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C[C@H]1COC ZINC000257185673 793955328 /nfs/dbraw/zinc/95/53/28/793955328.db2.gz JSSKCWFOGDHKGU-DOTOQJQBSA-N 1 1 358.442 1.526 50 0 FDAAMO CC(C)NC(=O)N1CCC2(C[C@@H](C(=O)NCc3ccccn3)[N@@H+](C)C2)CC1 ZINC000675009202 795199469 /nfs/dbraw/zinc/19/94/69/795199469.db2.gz AYLUGZYOYVHNLD-KRWDZBQOSA-N 1 1 373.501 1.602 50 0 FDAAMO CCCCC(=O)N1CCC2(CC1)N[C@H](C(=O)N1CCCC1)Cc1nc[nH]c12 ZINC000675013679 795219042 /nfs/dbraw/zinc/21/90/42/795219042.db2.gz IOXVQDZQRGWJAQ-INIZCTEOSA-N 1 1 373.501 1.554 50 0 FDAAMO CCCCC(=O)N1CCC2(CC1)[NH2+][C@H](C(=O)N1CCCC1)Cc1nc[nH]c12 ZINC000675013679 795219047 /nfs/dbraw/zinc/21/90/47/795219047.db2.gz IOXVQDZQRGWJAQ-INIZCTEOSA-N 1 1 373.501 1.554 50 0 FDAAMO O=C([C@H]1COc2ccccc2O1)N1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC000888095762 808121726 /nfs/dbraw/zinc/12/17/26/808121726.db2.gz FLJQGQHLWPJNAR-MRXNPFEDSA-N 1 1 354.410 1.213 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 ZINC000119550236 808989397 /nfs/dbraw/zinc/98/93/97/808989397.db2.gz BHRWNGKFXDWWJK-QGZVFWFLSA-N 1 1 355.486 1.734 50 0 FDAAMO CNc1ccc(C(=O)N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000367223134 888587302 /nfs/dbraw/zinc/58/73/02/888587302.db2.gz GBGNSJASRPZUIL-UHFFFAOYSA-N 1 1 354.458 2.271 50 0 FDAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCC(=O)Nc1nncs1 ZINC000821777845 919972821 /nfs/dbraw/zinc/97/28/21/919972821.db2.gz ZYWAEBUBKCHLCE-CYBMUJFWSA-N 1 1 373.482 1.820 50 0 FDAAMO COc1ccc2nc(C[NH2+]C3CCN(C(=O)c4cnccn4)CC3)[nH]c2c1 ZINC000824757734 923203945 /nfs/dbraw/zinc/20/39/45/923203945.db2.gz AMJZSSDDAJXFJZ-UHFFFAOYSA-N 1 1 366.425 1.756 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCOC3(CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)C2)o1 ZINC000828256566 924859096 /nfs/dbraw/zinc/85/90/96/924859096.db2.gz RRASUCIRSGLHCC-INIZCTEOSA-N 1 1 361.442 1.060 50 0 FDAAMO Cc1ccc(C[N@H+]2CCOC3(CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)C2)o1 ZINC000828256566 924859116 /nfs/dbraw/zinc/85/91/16/924859116.db2.gz RRASUCIRSGLHCC-INIZCTEOSA-N 1 1 361.442 1.060 50 0 FDAAMO Cn1nc(C(C)(C)C)c2cc(C(=O)N3CC[NH2+]C[C@H]3C(F)F)cnc21 ZINC000585089997 944050822 /nfs/dbraw/zinc/05/08/22/944050822.db2.gz UCKQJCBSBDWHCJ-LBPRGKRZSA-N 1 1 351.401 1.945 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCOCc2ccc(Cl)cc2)C1 ZINC000952969301 960260120 /nfs/dbraw/zinc/26/01/20/960260120.db2.gz SQNQKKQIEZICOB-AWEZNQCLSA-N 1 1 353.850 1.170 50 0 FDAAMO Cc1nc(C[N@@H+]2CCC[C@H](CNC(=O)CN3CCOC3=O)C2)cs1 ZINC000952971052 960265166 /nfs/dbraw/zinc/26/51/66/960265166.db2.gz FFTDNIZAGUODTJ-CYBMUJFWSA-N 1 1 352.460 1.232 50 0 FDAAMO Cc1nc(C[N@H+]2CCC[C@H](CNC(=O)CN3CCOC3=O)C2)cs1 ZINC000952971052 960265173 /nfs/dbraw/zinc/26/51/73/960265173.db2.gz FFTDNIZAGUODTJ-CYBMUJFWSA-N 1 1 352.460 1.232 50 0 FDAAMO CN1C(=O)[C@H]2CN(C(=O)[C@@H](c3ccc(F)cc3)[NH+]3CCCCC3)C[C@H]2C1=O ZINC000952967515 960282998 /nfs/dbraw/zinc/28/29/98/960282998.db2.gz APDLZAVSHUICIE-IXDOHACOSA-N 1 1 373.428 1.426 50 0 FDAAMO Cc1ccc2[nH]c([C@H](NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)nc2c1 ZINC000952986209 960307948 /nfs/dbraw/zinc/30/79/48/960307948.db2.gz YUMHHZZLCXSDSX-RDTXWAMCSA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@H](NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986209 960307952 /nfs/dbraw/zinc/30/79/52/960307952.db2.gz YUMHHZZLCXSDSX-RDTXWAMCSA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@H](NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986209 960307958 /nfs/dbraw/zinc/30/79/58/960307958.db2.gz YUMHHZZLCXSDSX-RDTXWAMCSA-N 1 1 371.485 1.882 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000952989039 960312278 /nfs/dbraw/zinc/31/22/78/960312278.db2.gz GVPLYKSIFWHZRK-MSOLQXFVSA-N 1 1 358.486 1.137 50 0 FDAAMO C[N@H+](CCC(=O)Nc1ccc2scnc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000952989628 960315107 /nfs/dbraw/zinc/31/51/07/960315107.db2.gz NWFUFXBZAKNCRV-GFCCVEGCSA-N 1 1 353.469 1.744 50 0 FDAAMO C[N@@H+](CCC(=O)Nc1ccc2scnc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000952989628 960315117 /nfs/dbraw/zinc/31/51/17/960315117.db2.gz NWFUFXBZAKNCRV-GFCCVEGCSA-N 1 1 353.469 1.744 50 0 FDAAMO C[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C[C@H]1CO ZINC000190868864 178029585 /nfs/dbraw/zinc/02/95/85/178029585.db2.gz JLIDGFQCGAYAPH-AEFFLSMTSA-N 1 1 365.518 1.188 50 0 FDAAMO CC1CC[NH+](C(C)(C)CNC(=O)N2CCN(Cc3nnc[nH]3)CC2)CC1 ZINC000534667024 540397277 /nfs/dbraw/zinc/39/72/77/540397277.db2.gz OZLZMEUNIQYXPE-UHFFFAOYSA-N 1 1 363.510 1.142 50 0 FDAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000534675323 540399003 /nfs/dbraw/zinc/39/90/03/540399003.db2.gz JYPCEJGAIVVFFQ-ZDUSSCGKSA-N 1 1 363.437 1.548 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC000534675323 540399008 /nfs/dbraw/zinc/39/90/08/540399008.db2.gz JYPCEJGAIVVFFQ-ZDUSSCGKSA-N 1 1 363.437 1.548 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC000534675323 540399012 /nfs/dbraw/zinc/39/90/12/540399012.db2.gz JYPCEJGAIVVFFQ-ZDUSSCGKSA-N 1 1 363.437 1.548 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101344660 209224316 /nfs/dbraw/zinc/22/43/16/209224316.db2.gz ZXXJFGRXHYTOFZ-MKXGPGLRSA-N 1 1 373.412 1.683 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101344660 209224319 /nfs/dbraw/zinc/22/43/19/209224319.db2.gz ZXXJFGRXHYTOFZ-MKXGPGLRSA-N 1 1 373.412 1.683 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccn2nnnc2c1 ZINC000097602428 209189349 /nfs/dbraw/zinc/18/93/49/209189349.db2.gz LKNBAMIGPOTSOU-QGZVFWFLSA-N 1 1 350.426 1.734 50 0 FDAAMO COc1ccccc1CNC(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000097532808 209184051 /nfs/dbraw/zinc/18/40/51/209184051.db2.gz YOMCRFACVDFHIA-INIZCTEOSA-N 1 1 366.483 1.211 50 0 FDAAMO CN(C)C1=NC(=O)C2(CC[NH+](Cc3ccc([C@H]4CCCCO4)o3)CC2)N1 ZINC000097475456 209182829 /nfs/dbraw/zinc/18/28/29/209182829.db2.gz IXASUDIIBAWNPS-OAHLLOKOSA-N 1 1 360.458 1.903 50 0 FDAAMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN2CCOCC2)cc1 ZINC000097301372 209177013 /nfs/dbraw/zinc/17/70/13/209177013.db2.gz MLJNRTAEIGTNGB-IBGZPJMESA-N 1 1 361.486 1.498 50 0 FDAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc2sc(N)nc21 ZINC000097155811 209172610 /nfs/dbraw/zinc/17/26/10/209172610.db2.gz LAOHHTRRXVCEON-LLVKDONJSA-N 1 1 361.471 1.114 50 0 FDAAMO CC(C)=CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCC(=O)N1)CC2 ZINC000097155833 209172169 /nfs/dbraw/zinc/17/21/69/209172169.db2.gz UPBDTRIEOAZSQV-INIZCTEOSA-N 1 1 371.485 1.330 50 0 FDAAMO C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3OCCn3ccnc3)C[C@@]2(C(=O)[O-])C1 ZINC000096166576 209130986 /nfs/dbraw/zinc/13/09/86/209130986.db2.gz YQLFXQRELVKXHI-PXNSSMCTSA-N 1 1 370.453 1.410 50 0 FDAAMO C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3OCCn3ccnc3)C[C@@]2(C(=O)[O-])C1 ZINC000096166576 209130989 /nfs/dbraw/zinc/13/09/89/209130989.db2.gz YQLFXQRELVKXHI-PXNSSMCTSA-N 1 1 370.453 1.410 50 0 FDAAMO C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3OCCn3ccnc3)C[C@@]2(C(=O)[O-])C1 ZINC000096166576 209130991 /nfs/dbraw/zinc/13/09/91/209130991.db2.gz YQLFXQRELVKXHI-PXNSSMCTSA-N 1 1 370.453 1.410 50 0 FDAAMO C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3OCCn3ccnc3)C[C@@]2(C(=O)[O-])C1 ZINC000096166576 209130994 /nfs/dbraw/zinc/13/09/94/209130994.db2.gz YQLFXQRELVKXHI-PXNSSMCTSA-N 1 1 370.453 1.410 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)CCCC3)C[N@@H+]1C ZINC000096149771 209123127 /nfs/dbraw/zinc/12/31/27/209123127.db2.gz PQZCQKYLNOSRHD-AEFFLSMTSA-N 1 1 358.486 1.631 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)CCCC3)C[N@H+]1C ZINC000096149771 209123130 /nfs/dbraw/zinc/12/31/30/209123130.db2.gz PQZCQKYLNOSRHD-AEFFLSMTSA-N 1 1 358.486 1.631 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)C[N@H+]1C ZINC000096140422 209120918 /nfs/dbraw/zinc/12/09/18/209120918.db2.gz ANPAGGKMVANYPV-ZBFHGGJFSA-N 1 1 351.422 1.262 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2)C[N@@H+]1C ZINC000096140422 209120917 /nfs/dbraw/zinc/12/09/17/209120917.db2.gz ANPAGGKMVANYPV-ZBFHGGJFSA-N 1 1 351.422 1.262 50 0 FDAAMO CC[N@@H+](C)[C@@H](C(=O)N1CCC(CNS(C)(=O)=O)CC1)c1ccccc1 ZINC000287113011 183215664 /nfs/dbraw/zinc/21/56/64/183215664.db2.gz VZKGNIWOYJRHBF-QGZVFWFLSA-N 1 1 367.515 1.467 50 0 FDAAMO CCCCn1c(C[N@@H+]2CCCC[C@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000005869918 207120697 /nfs/dbraw/zinc/12/06/97/207120697.db2.gz YSKFZKNWCYPMHN-CQSZACIVSA-N 1 1 361.490 1.998 50 0 FDAAMO CCCCn1c(C[N@H+]2CCCC[C@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000005869918 207120701 /nfs/dbraw/zinc/12/07/01/207120701.db2.gz YSKFZKNWCYPMHN-CQSZACIVSA-N 1 1 361.490 1.998 50 0 FDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000009483630 207273989 /nfs/dbraw/zinc/27/39/89/207273989.db2.gz NBIVIGOWDSGLDH-CYBMUJFWSA-N 1 1 369.343 1.535 50 0 FDAAMO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000009340557 207266791 /nfs/dbraw/zinc/26/67/91/207266791.db2.gz YLAYWYSLLVRPJN-CQSZACIVSA-N 1 1 350.802 1.811 50 0 FDAAMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009725182 207283538 /nfs/dbraw/zinc/28/35/38/207283538.db2.gz VWHBBNYZHLFHNZ-HUUCEWRRSA-N 1 1 362.474 1.784 50 0 FDAAMO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@H]1c1ccccc1OC ZINC000010339387 207298741 /nfs/dbraw/zinc/29/87/41/207298741.db2.gz NSIRBCRSOZSYDT-HOTGVXAUSA-N 1 1 359.426 1.887 50 0 FDAAMO O[C@@H]1CCC[N@@H+](CCNc2nc3nonc3nc2N2CCCCCC2)C1 ZINC000011957260 207332432 /nfs/dbraw/zinc/33/24/32/207332432.db2.gz DXOZCZXNAAFTIY-CYBMUJFWSA-N 1 1 361.450 1.262 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012196928 207346572 /nfs/dbraw/zinc/34/65/72/207346572.db2.gz DLTVQFCHZYCAPR-CYBMUJFWSA-N 1 1 367.427 1.601 50 0 FDAAMO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012591971 207397520 /nfs/dbraw/zinc/39/75/20/207397520.db2.gz YGBZPUUWYZAYHL-ZDUSSCGKSA-N 1 1 361.408 1.778 50 0 FDAAMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012574390 207395662 /nfs/dbraw/zinc/39/56/62/207395662.db2.gz IKAPKOISMABMMT-GOSISDBHSA-N 1 1 373.497 1.652 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 ZINC000019527826 207678053 /nfs/dbraw/zinc/67/80/53/207678053.db2.gz MWKATEMMENYNII-UHFFFAOYSA-N 1 1 373.906 1.579 50 0 FDAAMO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCN(C)CC2)ccc1OC ZINC000019742035 207708035 /nfs/dbraw/zinc/70/80/35/207708035.db2.gz VPSLOSRMWZGDAY-GOSISDBHSA-N 1 1 365.518 1.524 50 0 FDAAMO Cc1ccc(C(=O)NCC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000031338674 208012412 /nfs/dbraw/zinc/01/24/12/208012412.db2.gz BZCMMAAKGZLJRZ-UHFFFAOYSA-N 1 1 351.450 1.899 50 0 FDAAMO CC[NH+]1CCN(Cc2nnc(C(=O)NCc3ccc(C)cc3)s2)CC1 ZINC000032770479 208041231 /nfs/dbraw/zinc/04/12/31/208041231.db2.gz AQAVTMGADQPMBH-UHFFFAOYSA-N 1 1 359.499 1.914 50 0 FDAAMO CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032924409 208058810 /nfs/dbraw/zinc/05/88/10/208058810.db2.gz VGZSPJHOASQZJV-RYUDHWBXSA-N 1 1 358.464 1.128 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000036391716 208162096 /nfs/dbraw/zinc/16/20/96/208162096.db2.gz QVMWWBVEPIOJJD-BEFAXECRSA-N 1 1 358.442 1.884 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000036391716 208162101 /nfs/dbraw/zinc/16/21/01/208162101.db2.gz QVMWWBVEPIOJJD-BEFAXECRSA-N 1 1 358.442 1.884 50 0 FDAAMO C[N@@H+](Cc1ccccc1NC(=O)Cn1ccc(=O)[nH]c1=O)C1CCCCC1 ZINC000036395488 208163304 /nfs/dbraw/zinc/16/33/04/208163304.db2.gz BVLXQXNRLXZLEC-UHFFFAOYSA-N 1 1 370.453 1.940 50 0 FDAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COCC(C)C)o1 ZINC000036097473 208145695 /nfs/dbraw/zinc/14/56/95/208145695.db2.gz WLEHPJFGIOGPIM-SFHVURJKSA-N 1 1 354.491 1.756 50 0 FDAAMO CCn1ccnc1CN1CC[N@H+](Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039467530 208210938 /nfs/dbraw/zinc/21/09/38/208210938.db2.gz CBSDUGUTGCIOHQ-GOSISDBHSA-N 1 1 358.486 1.980 50 0 FDAAMO CCn1ccnc1CN1CC[N@@H+](Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039467530 208210946 /nfs/dbraw/zinc/21/09/46/208210946.db2.gz CBSDUGUTGCIOHQ-GOSISDBHSA-N 1 1 358.486 1.980 50 0 FDAAMO CC[NH+]1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3C)NC(=O)N2)CC1 ZINC000039315099 208208268 /nfs/dbraw/zinc/20/82/68/208208268.db2.gz KLZCTCFTBYRTDV-SFHVURJKSA-N 1 1 372.469 1.414 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(Cc3cn(C)nc3C)C[C@H]2CCO)c1 ZINC000039537091 208212659 /nfs/dbraw/zinc/21/26/59/208212659.db2.gz JDFIQKKBIWVENK-LJQANCHMSA-N 1 1 358.486 1.806 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(Cc3cn(C)nc3C)C[C@H]2CCO)c1 ZINC000039537091 208212665 /nfs/dbraw/zinc/21/26/65/208212665.db2.gz JDFIQKKBIWVENK-LJQANCHMSA-N 1 1 358.486 1.806 50 0 FDAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1Cl ZINC000046140804 208361712 /nfs/dbraw/zinc/36/17/12/208361712.db2.gz NHVNYDGJZYUUTB-UHFFFAOYSA-N 1 1 373.906 1.426 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccn1 ZINC000047012823 208370764 /nfs/dbraw/zinc/37/07/64/208370764.db2.gz NEKFZVLMBAWNDB-RDTXWAMCSA-N 1 1 371.466 1.646 50 0 FDAAMO CN(C)[C@H](CNC(=O)C[NH+]1CCC(C(N)=O)CC1)c1ccccc1Cl ZINC000091858802 209000366 /nfs/dbraw/zinc/00/03/66/209000366.db2.gz JRBVZMJHXXNCOT-MRXNPFEDSA-N 1 1 366.893 1.256 50 0 FDAAMO CCCS(=O)(=O)N1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091871487 209002897 /nfs/dbraw/zinc/00/28/97/209002897.db2.gz RCHLWNZOMXEJGF-UHFFFAOYSA-N 1 1 366.491 1.288 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)NCCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091914709 209003766 /nfs/dbraw/zinc/00/37/66/209003766.db2.gz JARJKEKUJRFPHF-HXUWFJFHSA-N 1 1 358.486 1.567 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCN(CCO)C3=O)CCC2 ZINC000091933216 209004926 /nfs/dbraw/zinc/00/49/26/209004926.db2.gz AUEWMPLUDJRLAZ-OAQYLSRUSA-N 1 1 358.482 1.991 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCC(F)F)C[C@H](C)O1 ZINC000095962845 209092052 /nfs/dbraw/zinc/09/20/52/209092052.db2.gz SKOBHDUIYXYVCK-TXEJJXNPSA-N 1 1 355.385 1.616 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCC(F)F)C[C@H](C)O1 ZINC000095962845 209092057 /nfs/dbraw/zinc/09/20/57/209092057.db2.gz SKOBHDUIYXYVCK-TXEJJXNPSA-N 1 1 355.385 1.616 50 0 FDAAMO CCCCS(=O)(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091973897 209008626 /nfs/dbraw/zinc/00/86/26/209008626.db2.gz CMVWCCOYDZHWJI-SFHVURJKSA-N 1 1 371.547 1.525 50 0 FDAAMO CCCCS(=O)(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091973897 209008627 /nfs/dbraw/zinc/00/86/27/209008627.db2.gz CMVWCCOYDZHWJI-SFHVURJKSA-N 1 1 371.547 1.525 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1CO ZINC000091997760 209009616 /nfs/dbraw/zinc/00/96/16/209009616.db2.gz ANIPPBGNBFCXHR-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cc(F)ccc2Cl)C[C@@H]1CO ZINC000091997760 209009619 /nfs/dbraw/zinc/00/96/19/209009619.db2.gz ANIPPBGNBFCXHR-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC000092021711 209011346 /nfs/dbraw/zinc/01/13/46/209011346.db2.gz LRMXVGXMBHJOIG-GDBMZVCRSA-N 1 1 356.463 1.950 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092096723 209016144 /nfs/dbraw/zinc/01/61/44/209016144.db2.gz IGPZBASBQWBBBE-IBGZPJMESA-N 1 1 351.491 1.206 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092096723 209016145 /nfs/dbraw/zinc/01/61/45/209016145.db2.gz IGPZBASBQWBBBE-IBGZPJMESA-N 1 1 351.491 1.206 50 0 FDAAMO CSc1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000092077208 209016517 /nfs/dbraw/zinc/01/65/17/209016517.db2.gz UNIXAMDRJVAGNP-HZPDHXFCSA-N 1 1 363.527 1.336 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1C ZINC000095358470 209025974 /nfs/dbraw/zinc/02/59/74/209025974.db2.gz LXNTTZIZRXJHHN-OAHLLOKOSA-N 1 1 353.430 1.716 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](CCC(=O)N2CCCC2)C1 ZINC000095357196 209026648 /nfs/dbraw/zinc/02/66/48/209026648.db2.gz IMJMQWVEBHRIGR-MRXNPFEDSA-N 1 1 371.489 1.252 50 0 FDAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000095363002 209028966 /nfs/dbraw/zinc/02/89/66/209028966.db2.gz RHKNLCZMZNMNJC-QGZVFWFLSA-N 1 1 356.463 1.838 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)CCc3ccc(O)cc3)CC[N@H+]2C)CCC1=O ZINC000095362177 209029698 /nfs/dbraw/zinc/02/96/98/209029698.db2.gz CYDJBRXEMGJSRS-HXUWFJFHSA-N 1 1 359.470 1.480 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1C ZINC000095366607 209031533 /nfs/dbraw/zinc/03/15/33/209031533.db2.gz MZNXJAVYTHNAIS-MRXNPFEDSA-N 1 1 365.441 1.783 50 0 FDAAMO CSCCC(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095376264 209037289 /nfs/dbraw/zinc/03/72/89/209037289.db2.gz PVEFLDMPCZLPOJ-CQSZACIVSA-N 1 1 362.503 1.827 50 0 FDAAMO Cc1ocnc1C(=O)N1CCC[C@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095388187 209046494 /nfs/dbraw/zinc/04/64/94/209046494.db2.gz RCGXBXPOWFLKSB-AWEZNQCLSA-N 1 1 369.429 1.685 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000095391758 209048031 /nfs/dbraw/zinc/04/80/31/209048031.db2.gz LIDJIMWBMCMWAH-MRXNPFEDSA-N 1 1 358.486 1.954 50 0 FDAAMO NC(=O)Cn1ccnc1[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000095518088 209071196 /nfs/dbraw/zinc/07/11/96/209071196.db2.gz UTCFNMFNSZRKDA-HNNXBMFYSA-N 1 1 366.425 1.798 50 0 FDAAMO Cc1ccc(-c2ccnc(N3CC[NH+](CCn4cncn4)CC3)n2)c(C)n1 ZINC000077485490 132186724 /nfs/dbraw/zinc/18/67/24/132186724.db2.gz MFMTVEVDDYIGOJ-UHFFFAOYSA-N 1 1 364.457 1.569 50 0 FDAAMO COc1cccc(N2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2=O)c1 ZINC000091943629 132205052 /nfs/dbraw/zinc/20/50/52/132205052.db2.gz GDZFKHLIMLYSJV-LJQANCHMSA-N 1 1 365.433 1.585 50 0 FDAAMO Cc1cc(N2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)cc[nH+]1 ZINC000095374303 132208953 /nfs/dbraw/zinc/20/89/53/132208953.db2.gz ZCBQHHZJOHVJFS-UHFFFAOYSA-N 1 1 369.517 1.650 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@H+](C4CCOCC4)C3)CC2)n1 ZINC000095379528 132209404 /nfs/dbraw/zinc/20/94/04/132209404.db2.gz RYEXYFFHNZLOIN-SFHVURJKSA-N 1 1 372.513 1.930 50 0 FDAAMO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1)N1CCOc2ccccc21 ZINC000095384077 132209816 /nfs/dbraw/zinc/20/98/16/132209816.db2.gz HAQRNOVAWLYKAH-DLBZAZTESA-N 1 1 369.465 1.745 50 0 FDAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1)N1CCOc2ccccc21 ZINC000095384077 132209817 /nfs/dbraw/zinc/20/98/17/132209817.db2.gz HAQRNOVAWLYKAH-DLBZAZTESA-N 1 1 369.465 1.745 50 0 FDAAMO Cc1ccccc1CSc1nc(N2CCC[C@](O)(CO)C2)cc(N)[nH+]1 ZINC000095386373 132210149 /nfs/dbraw/zinc/21/01/49/132210149.db2.gz QITFZGVFIBWJIZ-GOSISDBHSA-N 1 1 360.483 1.983 50 0 FDAAMO Cc1ccccc1CSc1nc(N)cc(N2CCC[C@](O)(CO)C2)[nH+]1 ZINC000095386373 132210150 /nfs/dbraw/zinc/21/01/50/132210150.db2.gz QITFZGVFIBWJIZ-GOSISDBHSA-N 1 1 360.483 1.983 50 0 FDAAMO Cc1cc(N2CCC([NH2+]Cc3nnc4ccccn43)CC2)nc(N(C)C)n1 ZINC000095517189 132213580 /nfs/dbraw/zinc/21/35/80/132213580.db2.gz IZVWXPRQDRPURY-UHFFFAOYSA-N 1 1 366.473 1.652 50 0 FDAAMO O[C@H]1[C@H](N2CCN(c3cnccn3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000020636782 132267394 /nfs/dbraw/zinc/26/73/94/132267394.db2.gz SDKFXVJVYFXOQE-UXHICEINSA-N 1 1 365.481 1.336 50 0 FDAAMO C[NH+]1CCN(c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)cc2)CC1 ZINC000219404546 132274506 /nfs/dbraw/zinc/27/45/06/132274506.db2.gz BOZNQQVAJZPLJR-UHFFFAOYSA-N 1 1 372.513 1.375 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCc1cnc2c(c1)CCC2 ZINC000299778013 132299036 /nfs/dbraw/zinc/29/90/36/132299036.db2.gz OGKKXFXGHZANKP-UHFFFAOYSA-N 1 1 366.469 1.351 50 0 FDAAMO COc1cc(CC[NH+]2CCN(c3ncccn3)CC2)cc(OC)c1OC ZINC000055112110 136126115 /nfs/dbraw/zinc/12/61/15/136126115.db2.gz NAZFATJOQYKBEH-UHFFFAOYSA-N 1 1 358.442 1.867 50 0 FDAAMO C[N@H+]1CCCN(C(=O)C2CCN(c3cncnc3N3CCCC3)CC2)CC1 ZINC000065226297 136135420 /nfs/dbraw/zinc/13/54/20/136135420.db2.gz RFIOUBRPSQUSPI-UHFFFAOYSA-N 1 1 372.517 1.457 50 0 FDAAMO O[C@H]1CCCN(c2cc[nH+]c(N3CCC(Oc4ccncc4)CC3)n2)C1 ZINC000065462104 136136513 /nfs/dbraw/zinc/13/65/13/136136513.db2.gz IPCNVQRFEQQDNE-HNNXBMFYSA-N 1 1 355.442 1.881 50 0 FDAAMO Cc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071575541 136139436 /nfs/dbraw/zinc/13/94/36/136139436.db2.gz NASSFFFKAJTYBU-KRWDZBQOSA-N 1 1 373.501 1.325 50 0 FDAAMO CNc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071754259 136140298 /nfs/dbraw/zinc/14/02/98/136140298.db2.gz IYDMTAKRTKUKLL-AWEZNQCLSA-N 1 1 358.490 1.478 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(c3nccc(N)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000072407681 136145205 /nfs/dbraw/zinc/14/52/05/136145205.db2.gz RJOWNFAFQOGOKF-HNNXBMFYSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1cc(C[N@H+]2CCN(c3nccc(N)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000072407681 136145206 /nfs/dbraw/zinc/14/52/06/136145206.db2.gz RJOWNFAFQOGOKF-HNNXBMFYSA-N 1 1 373.457 1.149 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3ncnc4nc[nH]c43)C[C@@H]2CCO)c1 ZINC000072457594 136148654 /nfs/dbraw/zinc/14/86/54/136148654.db2.gz UWVDTHIJCLTSFD-HNNXBMFYSA-N 1 1 368.441 1.435 50 0 FDAAMO C[N@H+]1CCCN(Cc2nc(Cn3cncn3)nn2Cc2ccccc2)CC1 ZINC000095529700 209077084 /nfs/dbraw/zinc/07/70/84/209077084.db2.gz XQOQYODFYZCELK-UHFFFAOYSA-N 1 1 366.473 1.104 50 0 FDAAMO Cc1cc(C)n2nc(CC(=O)N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)nc2n1 ZINC000095528706 209077865 /nfs/dbraw/zinc/07/78/65/209077865.db2.gz VVCGMHWMRLWYPY-IAGOWNOFSA-N 1 1 368.485 1.616 50 0 FDAAMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000092771760 172304857 /nfs/dbraw/zinc/30/48/57/172304857.db2.gz BIYHJTVKFPAHHR-SJORKVTESA-N 1 1 365.499 1.191 50 0 FDAAMO Cn1ccc2ccc(C(=O)N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)cc21 ZINC000095530987 209078903 /nfs/dbraw/zinc/07/89/03/209078903.db2.gz PEYKNYLXVXDRNH-UHFFFAOYSA-N 1 1 354.454 1.605 50 0 FDAAMO COC(=O)c1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000095531488 209079058 /nfs/dbraw/zinc/07/90/58/209079058.db2.gz JNUGJCHHWSWZRQ-UHFFFAOYSA-N 1 1 355.822 1.970 50 0 FDAAMO CNC(=O)[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCO1 ZINC000181620480 174236727 /nfs/dbraw/zinc/23/67/27/174236727.db2.gz VTCQDAUBNPDWGU-IAGOWNOFSA-N 1 1 366.506 1.188 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000179635937 258354998 /nfs/dbraw/zinc/35/49/98/258354998.db2.gz CGRVWPMNUDNJNF-INIZCTEOSA-N 1 1 372.469 1.837 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000179635937 258354999 /nfs/dbraw/zinc/35/49/99/258354999.db2.gz CGRVWPMNUDNJNF-INIZCTEOSA-N 1 1 372.469 1.837 50 0 FDAAMO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(-c3ccccc3F)[nH]n2)C1 ZINC000092107019 221839994 /nfs/dbraw/zinc/83/99/94/221839994.db2.gz YIHKGVGNEIGMMB-ZIAGYGMSSA-N 1 1 360.433 1.848 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCCC3)C2)cc1 ZINC000000705061 518218840 /nfs/dbraw/zinc/21/88/40/518218840.db2.gz REAPZAKDUSEOSX-UHFFFAOYSA-N 1 1 351.472 1.271 50 0 FDAAMO Cc1nn(CCC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)c1Br ZINC000002775006 518248731 /nfs/dbraw/zinc/24/87/31/518248731.db2.gz LSNUEYDXMATKRC-ZDUSSCGKSA-N 1 1 355.280 1.959 50 0 FDAAMO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccc(S(N)(=O)=O)cc1 ZINC000008403902 518474451 /nfs/dbraw/zinc/47/44/51/518474451.db2.gz XKTIQVOEXOFTNK-JTQLQIEISA-N 1 1 364.452 1.254 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccsc1 ZINC000008863599 518490032 /nfs/dbraw/zinc/49/00/32/518490032.db2.gz SCJVCJKTJPFCTK-CYBMUJFWSA-N 1 1 361.423 1.834 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000009060299 518495206 /nfs/dbraw/zinc/49/52/06/518495206.db2.gz NQILRDFIZLMUSS-AWEZNQCLSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060299 518495212 /nfs/dbraw/zinc/49/52/12/518495212.db2.gz NQILRDFIZLMUSS-AWEZNQCLSA-N 1 1 357.462 1.170 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009060299 518495216 /nfs/dbraw/zinc/49/52/16/518495216.db2.gz NQILRDFIZLMUSS-AWEZNQCLSA-N 1 1 357.462 1.170 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1ccco1 ZINC000010330974 518534059 /nfs/dbraw/zinc/53/40/59/518534059.db2.gz XFQKSZPQTHQUQD-CYBMUJFWSA-N 1 1 359.382 1.408 50 0 FDAAMO CC(=O)Nc1ccc(NC(=O)CN2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000011695739 518570374 /nfs/dbraw/zinc/57/03/74/518570374.db2.gz UEKDKFPRNRTIOZ-UHFFFAOYSA-N 1 1 356.430 1.139 50 0 FDAAMO CC(C)CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000013371595 518656786 /nfs/dbraw/zinc/65/67/86/518656786.db2.gz XIFCWLAMYWEJTQ-GJZGRUSLSA-N 1 1 363.476 1.401 50 0 FDAAMO CC(C)C[N@@H+]1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000014747988 518697348 /nfs/dbraw/zinc/69/73/48/518697348.db2.gz PTGGAOVRDVLEBN-QRVBRYPASA-N 1 1 351.535 1.972 50 0 FDAAMO CC(C)C[N@H+]1C[C@@H](CN2CCCC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000014747988 518697357 /nfs/dbraw/zinc/69/73/57/518697357.db2.gz PTGGAOVRDVLEBN-QRVBRYPASA-N 1 1 351.535 1.972 50 0 FDAAMO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([N@@H+](C)CCO)CC2 ZINC000014749769 518697700 /nfs/dbraw/zinc/69/77/00/518697700.db2.gz SYXMCBONPZYCPJ-MRXNPFEDSA-N 1 1 356.470 1.267 50 0 FDAAMO CN1CCN(C(=O)c2cn(CC[N@@H+](C)CCCc3ccccc3)nn2)CC1 ZINC000015005811 518704894 /nfs/dbraw/zinc/70/48/94/518704894.db2.gz YEUMKNSLBFHNLC-UHFFFAOYSA-N 1 1 370.501 1.230 50 0 FDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000019530279 518816164 /nfs/dbraw/zinc/81/61/64/518816164.db2.gz VDECFGPRJKXARG-KRWDZBQOSA-N 1 1 358.442 1.105 50 0 FDAAMO Cc1cccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 ZINC000019731524 518832210 /nfs/dbraw/zinc/83/22/10/518832210.db2.gz CWAMIQSVYGHVKJ-MRXNPFEDSA-N 1 1 373.434 1.064 50 0 FDAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](CCO)CC4)[C@H]3C=C12 ZINC000020112099 518845757 /nfs/dbraw/zinc/84/57/57/518845757.db2.gz FKCWOQLNDLTAMC-YAOJWGSESA-N 1 1 362.514 1.911 50 0 biogenic FDAAMO CCOC(=O)C1C(CN2CC[NH+](C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560242 518854097 /nfs/dbraw/zinc/85/40/97/518854097.db2.gz YWVWISPGLBCDFC-GOSISDBHSA-N 1 1 372.469 1.414 50 0 FDAAMO CC(C)(C)OC[C@@H](O)C[N@@H+](CCO)C[C@@H](O)Cn1ccc2ccccc21 ZINC000021364647 518871545 /nfs/dbraw/zinc/87/15/45/518871545.db2.gz TWFSWHWTDMUFAP-MSOLQXFVSA-N 1 1 364.486 1.473 50 0 FDAAMO CCn1c2ccccc2n(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c(=O)c1=O ZINC000021944045 518887380 /nfs/dbraw/zinc/88/73/80/518887380.db2.gz MKFYJQGXSMTIPI-OAHLLOKOSA-N 1 1 372.469 1.174 50 0 FDAAMO CCn1c2ccccc2n(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c(=O)c1=O ZINC000021944042 518888008 /nfs/dbraw/zinc/88/80/08/518888008.db2.gz MKFYJQGXSMTIPI-HNNXBMFYSA-N 1 1 372.469 1.174 50 0 FDAAMO O=C(C[NH+]1CCC(O)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000022011123 518888809 /nfs/dbraw/zinc/88/88/09/518888809.db2.gz UMSAODDFHTVPJZ-UHFFFAOYSA-N 1 1 360.454 1.800 50 0 FDAAMO C[NH+]1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022466251 518901196 /nfs/dbraw/zinc/90/11/96/518901196.db2.gz JWEWFUZUNYLKDF-SFHVURJKSA-N 1 1 350.503 1.988 50 0 FDAAMO Cc1cc(=O)oc2cc(OCC(=O)NCCC[NH+]3CCOCC3)ccc12 ZINC000022620266 518905063 /nfs/dbraw/zinc/90/50/63/518905063.db2.gz RRWDVFOFFYCTIZ-UHFFFAOYSA-N 1 1 360.410 1.319 50 0 FDAAMO OCC[NH+]1CCN(c2nc3nccnc3c(Nc3ccccc3)n2)CC1 ZINC000022735958 518909345 /nfs/dbraw/zinc/90/93/45/518909345.db2.gz YDRXTLZGHNHNHD-UHFFFAOYSA-N 1 1 351.414 1.278 50 0 FDAAMO C[C@H]1CCCC[C@H]1NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811834 518913485 /nfs/dbraw/zinc/91/34/85/518913485.db2.gz DICORDXSVDFUNY-DLBZAZTESA-N 1 1 366.550 1.604 50 0 FDAAMO C[C@H]1CCCC[C@H]1NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811834 518913491 /nfs/dbraw/zinc/91/34/91/518913491.db2.gz DICORDXSVDFUNY-DLBZAZTESA-N 1 1 366.550 1.604 50 0 FDAAMO CC(C)C[C@H](CNC(=O)CCNC(=O)OC(C)(C)C)[NH+]1CCOCC1 ZINC000022970374 518924807 /nfs/dbraw/zinc/92/48/07/518924807.db2.gz QRZZFEPZJWQVFP-OAHLLOKOSA-N 1 1 357.495 1.764 50 0 FDAAMO CC(C)C[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)[NH+]1CCOCC1 ZINC000022970695 518924906 /nfs/dbraw/zinc/92/49/06/518924906.db2.gz DNNIDFAZYQBNSH-OAHLLOKOSA-N 1 1 361.442 1.494 50 0 FDAAMO CCNC(=O)NC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023248752 518936926 /nfs/dbraw/zinc/93/69/26/518936926.db2.gz BHRFALHXXJSRGS-UHFFFAOYSA-N 1 1 372.391 1.669 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nnnn2C2CC2)CC1 ZINC000024602049 518999312 /nfs/dbraw/zinc/99/93/12/518999312.db2.gz MDDCZJKPEALBAF-UHFFFAOYSA-N 1 1 372.498 1.753 50 0 FDAAMO C[C@H](C1CC1)[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000024672931 519001800 /nfs/dbraw/zinc/00/18/00/519001800.db2.gz FFYRYQZYHBRXEO-CYBMUJFWSA-N 1 1 370.453 1.150 50 0 FDAAMO NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000027350634 519171752 /nfs/dbraw/zinc/17/17/52/519171752.db2.gz YYCONZTYRNWOLP-NSHDSACASA-N 1 1 352.378 1.987 50 0 FDAAMO C[N@@H+](CCCNC(=O)c1sccc1S(N)(=O)=O)Cc1ccccc1 ZINC000032857681 519545363 /nfs/dbraw/zinc/54/53/63/519545363.db2.gz JUNURGRXIHBQQD-UHFFFAOYSA-N 1 1 367.496 1.647 50 0 FDAAMO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21c2ccccc2NC1=O ZINC000035375433 519604822 /nfs/dbraw/zinc/60/48/22/519604822.db2.gz SSOWHLNZRXPOGA-GXNBUGAJSA-N 1 1 353.422 1.712 50 0 FDAAMO Cc1cc(NC(=O)CC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)no1 ZINC000040033476 519638639 /nfs/dbraw/zinc/63/86/39/519638639.db2.gz VSDRYJSAEASWQB-UHFFFAOYSA-N 1 1 368.441 1.777 50 0 FDAAMO CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC000089984947 520479217 /nfs/dbraw/zinc/47/92/17/520479217.db2.gz OULLXLKXHLQRLO-GDBMZVCRSA-N 1 1 366.531 1.979 50 0 FDAAMO CCOc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1OCC ZINC000241144921 520948777 /nfs/dbraw/zinc/94/87/77/520948777.db2.gz JUBQIDDHXXQMGK-IAGOWNOFSA-N 1 1 364.486 1.988 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)c1 ZINC000070893862 522051316 /nfs/dbraw/zinc/05/13/16/522051316.db2.gz NJHAZPIWRSFWHN-MRXNPFEDSA-N 1 1 371.485 1.671 50 0 FDAAMO CC(C)[C@@H]1CN(C(=O)CCNC(N)=O)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071422098 522113978 /nfs/dbraw/zinc/11/39/78/522113978.db2.gz XQMWKCUSVBPSCU-KRWDZBQOSA-N 1 1 364.465 1.943 50 0 FDAAMO O=C(c1nc2ccccn2c1C[N@H+]1CCCC(CO)(CO)C1)N1CCCC1 ZINC000071764114 522128731 /nfs/dbraw/zinc/12/87/31/522128731.db2.gz JQTQDBQTCLAFMA-UHFFFAOYSA-N 1 1 372.469 1.137 50 0 FDAAMO O=C(c1nc2ccccn2c1C[N@@H+]1CCCC(CO)(CO)C1)N1CCCC1 ZINC000071764114 522128741 /nfs/dbraw/zinc/12/87/41/522128741.db2.gz JQTQDBQTCLAFMA-UHFFFAOYSA-N 1 1 372.469 1.137 50 0 FDAAMO O=C(Cc1cccnc1)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071780073 522132919 /nfs/dbraw/zinc/13/29/19/522132919.db2.gz BGHRHDQMGGGDQE-QGZVFWFLSA-N 1 1 370.497 1.606 50 0 FDAAMO O=C(NCc1ccncc1)[C@H]1CN(c2nc3ccccc3s2)CC[NH2+]1 ZINC000072126501 522155193 /nfs/dbraw/zinc/15/51/93/522155193.db2.gz OYTPHMLSPLCCAR-OAHLLOKOSA-N 1 1 353.451 1.786 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)NCCc1ccc(Cl)cc1 ZINC000057885636 522174801 /nfs/dbraw/zinc/17/48/01/522174801.db2.gz BIYKWNDCOHKGQK-SFHVURJKSA-N 1 1 365.905 1.795 50 0 FDAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCN[C@@H](C(=O)NC3CC3)C2)c1 ZINC000072150181 522175690 /nfs/dbraw/zinc/17/56/90/522175690.db2.gz UUIQBIKUURVXAR-GOSISDBHSA-N 1 1 353.470 1.746 50 0 FDAAMO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN[C@@H](C(=O)NC3CC3)C2)c1 ZINC000072150181 522175691 /nfs/dbraw/zinc/17/56/91/522175691.db2.gz UUIQBIKUURVXAR-GOSISDBHSA-N 1 1 353.470 1.746 50 0 FDAAMO Cc1nc(C(C)C)sc1C(=O)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072150466 522175879 /nfs/dbraw/zinc/17/58/79/522175879.db2.gz NYXIJWPXTFYHDC-ZDUSSCGKSA-N 1 1 350.488 1.611 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000072151654 522177694 /nfs/dbraw/zinc/17/76/94/522177694.db2.gz UMAFFTMZVPOALC-MRXNPFEDSA-N 1 1 361.490 1.148 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1nccn1C)C1CC1 ZINC000072151654 522177703 /nfs/dbraw/zinc/17/77/03/522177703.db2.gz UMAFFTMZVPOALC-MRXNPFEDSA-N 1 1 361.490 1.148 50 0 FDAAMO CCc1nn2c(nc(C[N@H+]3CCC[C@@]4(CNC(=O)O4)CC3)cc2=O)s1 ZINC000072150925 522179222 /nfs/dbraw/zinc/17/92/22/522179222.db2.gz LMGLGPCFCBAAFR-INIZCTEOSA-N 1 1 363.443 1.178 50 0 FDAAMO O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]CCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000072162466 522188613 /nfs/dbraw/zinc/18/86/13/522188613.db2.gz UZOPFFCNLAXYFX-QGZVFWFLSA-N 1 1 367.384 1.755 50 0 FDAAMO Cc1ccc2[nH]c(CCNC(=O)C[C@@H]3C(=O)NCC[N@H+]3C(C)C)nc2c1C ZINC000072167436 522193655 /nfs/dbraw/zinc/19/36/55/522193655.db2.gz LQOFJFOWOJFGDX-MRXNPFEDSA-N 1 1 371.485 1.437 50 0 FDAAMO Cc1ccc2[nH]c(CCNC(=O)C[C@@H]3C(=O)NCC[N@@H+]3C(C)C)nc2c1C ZINC000072167436 522193666 /nfs/dbraw/zinc/19/36/66/522193666.db2.gz LQOFJFOWOJFGDX-MRXNPFEDSA-N 1 1 371.485 1.437 50 0 FDAAMO CCn1ccc2ccc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cc21 ZINC000072303936 522209152 /nfs/dbraw/zinc/20/91/52/522209152.db2.gz RAPNTFFHKKFIDV-LJQANCHMSA-N 1 1 360.458 1.866 50 0 FDAAMO CSc1ncc(CN[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)n1C ZINC000072411857 522244046 /nfs/dbraw/zinc/24/40/46/522244046.db2.gz RJTOKXOZZXFWOS-SJORKVTESA-N 1 1 358.511 1.969 50 0 FDAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000058298440 522244839 /nfs/dbraw/zinc/24/48/39/522244839.db2.gz DDRPTEKVHQQNDO-GJZGRUSLSA-N 1 1 356.470 1.942 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N1CCOC[C@@H]1CC(=O)Nc1ccccc1F ZINC000072421368 522250076 /nfs/dbraw/zinc/25/00/76/522250076.db2.gz UCEAFGGGCLSVMY-HNNXBMFYSA-N 1 1 374.416 1.977 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN1Cc2ccc(C(=O)N3CCOCC3)cc2C1=O ZINC000072431959 522269726 /nfs/dbraw/zinc/26/97/26/522269726.db2.gz HMOLVRNZAXRBGB-QGZVFWFLSA-N 1 1 357.454 1.599 50 0 FDAAMO CC(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)C1 ZINC000072434382 522272148 /nfs/dbraw/zinc/27/21/48/522272148.db2.gz WYYINAPVRSSTDT-INIZCTEOSA-N 1 1 356.426 1.569 50 0 FDAAMO O=C(C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1)NC1CC1 ZINC000072462625 522288046 /nfs/dbraw/zinc/28/80/46/522288046.db2.gz KNRXRICSSRJYHV-FQEVSTJZSA-N 1 1 356.470 1.565 50 0 FDAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000072473330 522293700 /nfs/dbraw/zinc/29/37/00/522293700.db2.gz CYISENLFGPNKQI-PMACEKPBSA-N 1 1 362.514 1.658 50 0 FDAAMO CC(C)(O)CCc1ccc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000072473330 522293710 /nfs/dbraw/zinc/29/37/10/522293710.db2.gz CYISENLFGPNKQI-PMACEKPBSA-N 1 1 362.514 1.658 50 0 FDAAMO CC(C)(O)CCc1ccc(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1 ZINC000072473330 522293722 /nfs/dbraw/zinc/29/37/22/522293722.db2.gz CYISENLFGPNKQI-PMACEKPBSA-N 1 1 362.514 1.658 50 0 FDAAMO c1ncn(CCCNc2ncnc3c2CC[N@@H+](C[C@@H]2CCOC2)CC3)n1 ZINC000072477935 522300165 /nfs/dbraw/zinc/30/01/65/522300165.db2.gz BGBWHJYEMPCLFX-HNNXBMFYSA-N 1 1 357.462 1.007 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H](NC(=O)CCO)[C@@H](C(C)C)C1 ZINC000091645763 522666380 /nfs/dbraw/zinc/66/63/80/522666380.db2.gz TWVYTABURMVBSJ-DOMZBBRYSA-N 1 1 356.898 1.591 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H](NC(=O)CCO)[C@@H](C(C)C)C1 ZINC000091645763 522666389 /nfs/dbraw/zinc/66/63/89/522666389.db2.gz TWVYTABURMVBSJ-DOMZBBRYSA-N 1 1 356.898 1.591 50 0 FDAAMO CNc1cc[nH+]c(N2CCCn3nc(CNC(=O)C4CCC4)cc3C2)n1 ZINC000082115897 522670858 /nfs/dbraw/zinc/67/08/58/522670858.db2.gz KHYUBYLSTWTZPW-UHFFFAOYSA-N 1 1 355.446 1.541 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1ccc(N(C)C)nc1)C2 ZINC000082121220 522767646 /nfs/dbraw/zinc/76/76/46/522767646.db2.gz XGUBYCCWBPOKRL-UHFFFAOYSA-N 1 1 372.473 1.013 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(N(C)C)nc1)C2 ZINC000082121220 522767658 /nfs/dbraw/zinc/76/76/58/522767658.db2.gz XGUBYCCWBPOKRL-UHFFFAOYSA-N 1 1 372.473 1.013 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)CC1 ZINC000065364248 522808901 /nfs/dbraw/zinc/80/89/01/522808901.db2.gz FQCAAKQCMIXPQO-HNNXBMFYSA-N 1 1 353.488 1.314 50 0 FDAAMO C[NH+]1CCN(c2cc(NCCCn3nnc4ccccc43)nc(N)n2)CC1 ZINC000065373346 522810563 /nfs/dbraw/zinc/81/05/63/522810563.db2.gz RSWVLSWHOZHNCE-UHFFFAOYSA-N 1 1 367.461 1.058 50 0 FDAAMO CC(C)[C@@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065383665 522813066 /nfs/dbraw/zinc/81/30/66/522813066.db2.gz IAHMZVRMACPADX-GOSISDBHSA-N 1 1 369.469 1.971 50 0 FDAAMO CC(C)[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065383665 522813075 /nfs/dbraw/zinc/81/30/75/522813075.db2.gz IAHMZVRMACPADX-GOSISDBHSA-N 1 1 369.469 1.971 50 0 FDAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccc(C)nn3)cc2)C1 ZINC000065397625 522814456 /nfs/dbraw/zinc/81/44/56/522814456.db2.gz WADPLUQTKWWGDW-QGZVFWFLSA-N 1 1 367.453 1.995 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000075110540 522881172 /nfs/dbraw/zinc/88/11/72/522881172.db2.gz GNROARBKBHXWQA-CHWSQXEVSA-N 1 1 354.472 1.916 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1CO ZINC000091680195 522884318 /nfs/dbraw/zinc/88/43/18/522884318.db2.gz VILIQZOIHPHWPN-CHWSQXEVSA-N 1 1 361.269 1.598 50 0 FDAAMO CCn1c(Cn2ccnc2)nnc1C1CCN(c2nc(NC)cc[nH+]2)CC1 ZINC000091551357 523209040 /nfs/dbraw/zinc/20/90/40/523209040.db2.gz CLEVTRXDNKWRLO-UHFFFAOYSA-N 1 1 367.461 1.759 50 0 FDAAMO Cc1ccc2nc(C)cc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000077298271 523286438 /nfs/dbraw/zinc/28/64/38/523286438.db2.gz XKLSQVNGOGKXQK-HNNXBMFYSA-N 1 1 354.454 1.779 50 0 FDAAMO CCNC(=O)CC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077407541 523327191 /nfs/dbraw/zinc/32/71/91/523327191.db2.gz SDSGSMMTZVJIKL-OAQYLSRUSA-N 1 1 372.513 1.855 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc(=O)nc2sccn21 ZINC000077504696 523365453 /nfs/dbraw/zinc/36/54/53/523365453.db2.gz SWPONRNJPVMZJV-OAHLLOKOSA-N 1 1 368.462 1.885 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc(=O)nc2sccn21 ZINC000077504696 523365468 /nfs/dbraw/zinc/36/54/68/523365468.db2.gz SWPONRNJPVMZJV-OAHLLOKOSA-N 1 1 368.462 1.885 50 0 FDAAMO CCNC(=O)C[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077555144 523382126 /nfs/dbraw/zinc/38/21/26/523382126.db2.gz JXAPXTAXTBOHJS-IBGZPJMESA-N 1 1 359.474 1.126 50 0 FDAAMO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1c(C)noc1C)C2 ZINC000091593895 523439208 /nfs/dbraw/zinc/43/92/08/523439208.db2.gz HCOYGWBONJRRKS-UONOGXRCSA-N 1 1 350.419 1.070 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCN(C)C(=O)C3)nc2)C1 ZINC000067446652 523456067 /nfs/dbraw/zinc/45/60/67/523456067.db2.gz LEKOHFLFJIPYRN-INIZCTEOSA-N 1 1 373.501 1.068 50 0 FDAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N[C@@H](CO)c2cccnc2)[nH]n1 ZINC000067755535 523570404 /nfs/dbraw/zinc/57/04/04/523570404.db2.gz ILRNPWCJAGSWHU-INIZCTEOSA-N 1 1 354.414 1.636 50 0 FDAAMO O=C1N(CCc2ccccc2)CCC[C@@]1(O)CNCC12CCC[NH+]1CCC2 ZINC000067850237 523608670 /nfs/dbraw/zinc/60/86/70/523608670.db2.gz ARVOSFMSZAGMQQ-JOCHJYFZSA-N 1 1 371.525 1.801 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(C)ccc2OC)C[C@@H]1CO ZINC000091621159 523619262 /nfs/dbraw/zinc/61/92/62/523619262.db2.gz SKKMYRPXUGDRBV-HZPDHXFCSA-N 1 1 350.459 1.262 50 0 FDAAMO C[C@@]1(C2CC[NH+](Cc3cccc4c3OC(F)(F)O4)CC2)NC(=O)NC1=O ZINC000067947586 523644357 /nfs/dbraw/zinc/64/43/57/523644357.db2.gz KZTFNRCPFLYPAV-INIZCTEOSA-N 1 1 367.352 1.818 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@@H+](C)Cc2cnc3ccccc3c2)C1=O ZINC000067955711 523646700 /nfs/dbraw/zinc/64/67/00/523646700.db2.gz CDPLKRWSUHADPE-FQEVSTJZSA-N 1 1 357.454 1.667 50 0 FDAAMO Nc1nc(-n2cccn2)cc(N[C@@H](CN2CCOCC2)c2ccccc2)[nH+]1 ZINC000079106251 523704099 /nfs/dbraw/zinc/70/40/99/523704099.db2.gz KZHDBVVAGFZJEJ-INIZCTEOSA-N 1 1 365.441 1.730 50 0 FDAAMO CC[N@H+](Cc1cccc(OC)c1OCCn1ccnc1)[C@H]1COC[C@@H]1O ZINC000055108825 523748476 /nfs/dbraw/zinc/74/84/76/523748476.db2.gz FTTXSVIMOIORCD-IRXDYDNUSA-N 1 1 361.442 1.552 50 0 FDAAMO CC[N@@H+](Cc1cccc(OC)c1OCCn1ccnc1)[C@H]1COC[C@@H]1O ZINC000055108825 523748485 /nfs/dbraw/zinc/74/84/85/523748485.db2.gz FTTXSVIMOIORCD-IRXDYDNUSA-N 1 1 361.442 1.552 50 0 FDAAMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 ZINC000082138729 523796401 /nfs/dbraw/zinc/79/64/01/523796401.db2.gz XFGACMHNVCSTNC-SFHVURJKSA-N 1 1 373.501 1.516 50 0 FDAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4cccnc4)o3)C2)C1=O ZINC000091255215 523830076 /nfs/dbraw/zinc/83/00/76/523830076.db2.gz FICDOGZRNIHFLV-IBGZPJMESA-N 1 1 371.441 1.593 50 0 FDAAMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000078771469 523834208 /nfs/dbraw/zinc/83/42/08/523834208.db2.gz NFMBGLBFSCVMFX-HNNXBMFYSA-N 1 1 356.488 1.701 50 0 FDAAMO Cc1ccc(C)c(CC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1 ZINC000091664185 524091735 /nfs/dbraw/zinc/09/17/35/524091735.db2.gz OSRIJZMNHAUXEA-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO Cc1ccc(C)c(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091664185 524091739 /nfs/dbraw/zinc/09/17/39/524091739.db2.gz OSRIJZMNHAUXEA-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO Cc1ccc(C)c(CC(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091664185 524091746 /nfs/dbraw/zinc/09/17/46/524091746.db2.gz OSRIJZMNHAUXEA-NHCUHLMSSA-N 1 1 373.541 1.550 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N(C)C[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000082098302 524209842 /nfs/dbraw/zinc/20/98/42/524209842.db2.gz GJAVXBZZBYQUBW-KRWDZBQOSA-N 1 1 353.470 1.980 50 0 FDAAMO Cc1cc(C)cc(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)c1 ZINC000082107173 524211672 /nfs/dbraw/zinc/21/16/72/524211672.db2.gz ABADATOZEBENBZ-UHFFFAOYSA-N 1 1 362.499 1.955 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@@H]3CC(=O)OC34CCCC4)cc2C1 ZINC000082120751 524214532 /nfs/dbraw/zinc/21/45/32/524214532.db2.gz DQUAKFVXFUKTLM-KRWDZBQOSA-N 1 1 374.485 1.847 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000089484463 524507841 /nfs/dbraw/zinc/50/78/41/524507841.db2.gz AAMTWQJWVWOOGP-RDJZCZTQSA-N 1 1 369.531 1.133 50 0 FDAAMO Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(S(=O)(=O)N(C)C)C[C@H]3C2)s1 ZINC000091255110 524684679 /nfs/dbraw/zinc/68/46/79/524684679.db2.gz BWBGDSZWVJTJAC-GDBMZVCRSA-N 1 1 373.544 1.122 50 0 FDAAMO CN1CC[C@@]2(CN(Cc3ccc4nsnc4c3)CC[N@H+]2C)CCC1=O ZINC000091269784 524687863 /nfs/dbraw/zinc/68/78/63/524687863.db2.gz PKUFVALHORUAGV-GOSISDBHSA-N 1 1 359.499 1.820 50 0 FDAAMO CCOc1ccccc1CC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091390983 524697366 /nfs/dbraw/zinc/69/73/66/524697366.db2.gz FWSVAPPCOOGRMY-HXUWFJFHSA-N 1 1 359.470 1.441 50 0 FDAAMO O=C(CCC[NH+]1CCOCC1)N1C[C@H](Nc2ncccn2)[C@@H](C2CC2)C1 ZINC000091469063 524709425 /nfs/dbraw/zinc/70/94/25/524709425.db2.gz VXIDMSXCZHXTRZ-SJORKVTESA-N 1 1 359.474 1.238 50 0 FDAAMO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](Cc2ncccn2)CC3)cn1 ZINC000091468849 524711479 /nfs/dbraw/zinc/71/14/79/524711479.db2.gz RAQJUATUGDNYRJ-UHFFFAOYSA-N 1 1 366.469 1.980 50 0 FDAAMO CN(C)S(=O)(=O)N[C@H]1C[N@@H+](CCOc2ccccc2)C[C@@H]1C1CC1 ZINC000091595902 524736663 /nfs/dbraw/zinc/73/66/63/524736663.db2.gz YDAZNCQKKIXRPB-SJORKVTESA-N 1 1 353.488 1.172 50 0 FDAAMO Cc1ccc(F)c(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000091595945 524736966 /nfs/dbraw/zinc/73/69/66/524736966.db2.gz GMRWPFHLKOMDMD-ZIAGYGMSSA-N 1 1 370.852 1.800 50 0 FDAAMO Cc1ncc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000091757726 524775815 /nfs/dbraw/zinc/77/58/15/524775815.db2.gz QJWIDBPSETULRH-UHFFFAOYSA-N 1 1 352.438 1.741 50 0 FDAAMO O=C(CN1CCCC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091769863 524780243 /nfs/dbraw/zinc/78/02/43/524780243.db2.gz HIWOCSYZVKRFFZ-QFBILLFUSA-N 1 1 367.493 1.699 50 0 FDAAMO O=C(C1CC1)N1CCC(C(=O)N2CC[NH+](CCn3cccc3)CC2)CC1 ZINC000091780106 524780661 /nfs/dbraw/zinc/78/06/61/524780661.db2.gz CQZPBOIYFKADKV-UHFFFAOYSA-N 1 1 358.486 1.281 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1CO ZINC000092097984 524847900 /nfs/dbraw/zinc/84/79/00/524847900.db2.gz JKMRWJGQIBZPQV-ZIAGYGMSSA-N 1 1 358.841 1.474 50 0 FDAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(N)=O)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248123992 524928726 /nfs/dbraw/zinc/92/87/26/524928726.db2.gz TUZPGQYZYBPBNB-ZSYWTGECSA-N 1 1 373.412 1.996 50 0 FDAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(N)=O)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248123992 524928736 /nfs/dbraw/zinc/92/87/36/524928736.db2.gz TUZPGQYZYBPBNB-ZSYWTGECSA-N 1 1 373.412 1.996 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)CCc3cccnc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452345 524967863 /nfs/dbraw/zinc/96/78/63/524967863.db2.gz VARJHDRIBBDIBX-UKBAYJJMSA-N 1 1 361.486 1.190 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095391810 525064536 /nfs/dbraw/zinc/06/45/36/525064536.db2.gz QDZOYXANQJGYQT-ZDUSSCGKSA-N 1 1 368.445 1.583 50 0 FDAAMO CC(=O)c1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000096099745 525133325 /nfs/dbraw/zinc/13/33/25/525133325.db2.gz IKQGICYTYZQERL-KRWDZBQOSA-N 1 1 366.483 1.499 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000103866390 525378600 /nfs/dbraw/zinc/37/86/00/525378600.db2.gz SAPOOFFLLWATKE-MHORFTMASA-N 1 1 359.385 1.687 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000103866390 525378604 /nfs/dbraw/zinc/37/86/04/525378604.db2.gz SAPOOFFLLWATKE-MHORFTMASA-N 1 1 359.385 1.687 50 0 FDAAMO COc1cc(C(=O)N2CC[NH+](C[C@@H](O)CCOC(C)C)CC2)ccc1C ZINC000170606314 525642543 /nfs/dbraw/zinc/64/25/43/525642543.db2.gz LREJBCXSAURPHL-SFHVURJKSA-N 1 1 364.486 1.937 50 0 FDAAMO C[C@]1(CNS(=O)(=O)C[C@@H]2CCOC2)CCC[N@H+]1Cc1ccccc1 ZINC000119694487 525830646 /nfs/dbraw/zinc/83/06/46/525830646.db2.gz CYAHESIQTKTAFX-QZTJIDSGSA-N 1 1 352.500 1.997 50 0 FDAAMO COc1cccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000019832321 526140938 /nfs/dbraw/zinc/14/09/38/526140938.db2.gz OQPONCSSSJHFGI-OAHLLOKOSA-N 1 1 354.362 1.846 50 0 FDAAMO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4cnc(-c5ccccn5)nc4)C[C@H]32)n1 ZINC000082134851 526405689 /nfs/dbraw/zinc/40/56/89/526405689.db2.gz XEJNMWVUWXFBTH-FUHWJXTLSA-N 1 1 361.453 1.968 50 0 FDAAMO O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CSC[NH2+]1 ZINC000155667489 526574791 /nfs/dbraw/zinc/57/47/91/526574791.db2.gz OYEQYTIEBRTSTD-WCBMZHEXSA-N 1 1 351.255 1.512 50 0 FDAAMO O=C(CCc1c[nH]c2ccccc12)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091643412 526579653 /nfs/dbraw/zinc/57/96/53/526579653.db2.gz QLOJYHNBVRXFSV-QZTJIDSGSA-N 1 1 371.481 1.500 50 0 FDAAMO O=C(CCc1cc2n(n1)CCC[N@H+](Cc1cccnc1)C2)N1CCOCC1 ZINC000091625713 526582775 /nfs/dbraw/zinc/58/27/75/526582775.db2.gz DQNBSYBMMOYILU-UHFFFAOYSA-N 1 1 369.469 1.475 50 0 FDAAMO O=C(CCc1cc2n(n1)CCC[N@@H+](Cc1cccnc1)C2)N1CCOCC1 ZINC000091625713 526582779 /nfs/dbraw/zinc/58/27/79/526582779.db2.gz DQNBSYBMMOYILU-UHFFFAOYSA-N 1 1 369.469 1.475 50 0 FDAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2)N1CCNCC1 ZINC000091518903 526820954 /nfs/dbraw/zinc/82/09/54/526820954.db2.gz LAWHEJLOXUYEGS-LEWJYISDSA-N 1 1 370.541 1.447 50 0 FDAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2)N1CCNCC1 ZINC000091518903 526820959 /nfs/dbraw/zinc/82/09/59/526820959.db2.gz LAWHEJLOXUYEGS-LEWJYISDSA-N 1 1 370.541 1.447 50 0 FDAAMO O=c1cc(C[N@H+]2CCC[C@@H](c3nccn3Cc3ccccc3)C2)[nH]c(=O)[nH]1 ZINC000082170575 527476120 /nfs/dbraw/zinc/47/61/20/527476120.db2.gz UHKCIEHOXKAKFX-MRXNPFEDSA-N 1 1 365.437 1.688 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000089505729 527615970 /nfs/dbraw/zinc/61/59/70/527615970.db2.gz RRTMQMGHMADQJH-UYAOXDASSA-N 1 1 370.497 1.579 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCC(=O)N1CCc1ccccc1 ZINC000020724514 527672495 /nfs/dbraw/zinc/67/24/95/527672495.db2.gz WYJKXPQUAMCLLK-GOSISDBHSA-N 1 1 359.470 1.059 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082115583 527692321 /nfs/dbraw/zinc/69/23/21/527692321.db2.gz NFNUHENQDUYVEE-UHFFFAOYSA-N 1 1 356.474 1.747 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082115583 527692324 /nfs/dbraw/zinc/69/23/24/527692324.db2.gz NFNUHENQDUYVEE-UHFFFAOYSA-N 1 1 356.474 1.747 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C(C)(C)O)C2)CC1 ZINC000072154623 537069387 /nfs/dbraw/zinc/06/93/87/537069387.db2.gz YFOZVXTYQOBZFO-MRXNPFEDSA-N 1 1 361.486 1.579 50 0 FDAAMO O=C(c1cnc2ccccn2c1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000198957305 537427516 /nfs/dbraw/zinc/42/75/16/537427516.db2.gz AINGFSDGWSNFGA-UHFFFAOYSA-N 1 1 362.433 1.695 50 0 FDAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(n2cnnc2)CC1 ZINC000219694680 537479467 /nfs/dbraw/zinc/47/94/67/537479467.db2.gz WLCYJTGVYMXECF-LJQANCHMSA-N 1 1 369.469 1.733 50 0 FDAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(n2cnnc2)CC1 ZINC000219694680 537479474 /nfs/dbraw/zinc/47/94/74/537479474.db2.gz WLCYJTGVYMXECF-LJQANCHMSA-N 1 1 369.469 1.733 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 ZINC000220340157 537488594 /nfs/dbraw/zinc/48/85/94/537488594.db2.gz JWXGKFDPYQTEBD-OKILXGFUSA-N 1 1 358.446 1.453 50 0 FDAAMO CC(C)c1csc(CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)n1 ZINC000220515246 537489529 /nfs/dbraw/zinc/48/95/29/537489529.db2.gz GJNWPZXYEODQCL-AWEZNQCLSA-N 1 1 352.504 1.524 50 0 FDAAMO CC(C)c1csc(CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)n1 ZINC000220515246 537489535 /nfs/dbraw/zinc/48/95/35/537489535.db2.gz GJNWPZXYEODQCL-AWEZNQCLSA-N 1 1 352.504 1.524 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000220635800 537491497 /nfs/dbraw/zinc/49/14/97/537491497.db2.gz QORRARSJCSUUQG-QZTJIDSGSA-N 1 1 373.453 1.681 50 0 FDAAMO Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)CCn1cc[nH+]c1C ZINC000223263835 537520875 /nfs/dbraw/zinc/52/08/75/537520875.db2.gz LKYZUOLHCDGLRU-IAGOWNOFSA-N 1 1 362.430 1.677 50 0 FDAAMO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000225742413 537558474 /nfs/dbraw/zinc/55/84/74/537558474.db2.gz MONQWOPRMNASAI-MRXNPFEDSA-N 1 1 371.547 1.381 50 0 FDAAMO CCn1ccnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000244734451 537651003 /nfs/dbraw/zinc/65/10/03/537651003.db2.gz NFRWKAPMNJGUOW-OAHLLOKOSA-N 1 1 355.442 1.820 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)Nc2ccc3c(c2)C(=O)N(C2CC2)C3=O)C1 ZINC000426666931 538119394 /nfs/dbraw/zinc/11/93/94/538119394.db2.gz CWPLECCCVYXJQA-GFCCVEGCSA-N 1 1 372.425 1.145 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N[C@@H](C)c3ncnn3C)cc2C1 ZINC000584886333 551564954 /nfs/dbraw/zinc/56/49/54/551564954.db2.gz IYKYIDALIWGDDO-ZDUSSCGKSA-N 1 1 360.466 1.188 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000584902785 551567669 /nfs/dbraw/zinc/56/76/69/551567669.db2.gz SOCQAYLPPXYWKQ-MUPIXQSSSA-N 1 1 372.513 1.605 50 0 FDAAMO O=C(Cn1cnc(C2CC2)cc1=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256873 555600494 /nfs/dbraw/zinc/60/04/94/555600494.db2.gz NJSWTIIDGOMKJO-OAHLLOKOSA-N 1 1 358.467 1.573 50 0 FDAAMO c1ncn(CC[NH+]2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)n1 ZINC000215030891 568043751 /nfs/dbraw/zinc/04/37/51/568043751.db2.gz BEBMMKDESVFKQD-UHFFFAOYSA-N 1 1 355.490 1.934 50 0 FDAAMO O=C(NCc1nc(-c2ccccc2)no1)N1CCC([NH+]2CCOCC2)CC1 ZINC000426477350 570606327 /nfs/dbraw/zinc/60/63/27/570606327.db2.gz HOCAMSAJOIVMCJ-UHFFFAOYSA-N 1 1 371.441 1.743 50 0 FDAAMO O=C(Nc1cnccn1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccccc32)C1 ZINC000048279356 570942863 /nfs/dbraw/zinc/94/28/63/570942863.db2.gz LMMKTQNINDLKBA-CYBMUJFWSA-N 1 1 353.382 1.693 50 0 FDAAMO O=C(Nc1cnccn1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccccc32)C1 ZINC000048279356 570942865 /nfs/dbraw/zinc/94/28/65/570942865.db2.gz LMMKTQNINDLKBA-CYBMUJFWSA-N 1 1 353.382 1.693 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000048310154 570943873 /nfs/dbraw/zinc/94/38/73/570943873.db2.gz OJFZSMAPWUWKCC-UZLBHIALSA-N 1 1 370.453 1.890 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000048310154 570943875 /nfs/dbraw/zinc/94/38/75/570943875.db2.gz OJFZSMAPWUWKCC-UZLBHIALSA-N 1 1 370.453 1.890 50 0 FDAAMO CC[C@@H](C)NC(=O)CN1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000084722031 571098301 /nfs/dbraw/zinc/09/83/01/571098301.db2.gz PPLUSFCXAAEULH-GOSISDBHSA-N 1 1 358.530 1.972 50 0 FDAAMO Cn1nncc1C[N@H+]1C[C@@H]2COCC[C@@]2(C(=O)NCC2=CCCCC2)C1 ZINC000685940289 571099741 /nfs/dbraw/zinc/09/97/41/571099741.db2.gz CHVMNSPEQUKWAT-VQIMIIECSA-N 1 1 359.474 1.270 50 0 FDAAMO Cc1scc(CCNC(=O)CC[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1C ZINC000244718908 571115437 /nfs/dbraw/zinc/11/54/37/571115437.db2.gz LTEAQQOGHHRPKK-HNNXBMFYSA-N 1 1 358.529 1.533 50 0 FDAAMO Cc1scc(CCNC(=O)CC[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1C ZINC000244718908 571115439 /nfs/dbraw/zinc/11/54/39/571115439.db2.gz LTEAQQOGHHRPKK-HNNXBMFYSA-N 1 1 358.529 1.533 50 0 FDAAMO COc1ccc2[nH]c(CC[N@@H+](C)CCCS(=O)(=O)N(C)C)nc2c1 ZINC000244795692 571117321 /nfs/dbraw/zinc/11/73/21/571117321.db2.gz RLXRJOXICRDBJC-UHFFFAOYSA-N 1 1 354.476 1.327 50 0 FDAAMO COc1ccc2nc(CC[N@H+](C)CCCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000244795692 571117322 /nfs/dbraw/zinc/11/73/22/571117322.db2.gz RLXRJOXICRDBJC-UHFFFAOYSA-N 1 1 354.476 1.327 50 0 FDAAMO COc1ccc2nc(CC[N@@H+](C)CCCS(=O)(=O)N(C)C)[nH]c2c1 ZINC000244795692 571117325 /nfs/dbraw/zinc/11/73/25/571117325.db2.gz RLXRJOXICRDBJC-UHFFFAOYSA-N 1 1 354.476 1.327 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(-c2cnc(N)nc2)cc1 ZINC000426509358 571136950 /nfs/dbraw/zinc/13/69/50/571136950.db2.gz KGODPQKBILAYHA-IRXDYDNUSA-N 1 1 355.442 1.563 50 0 FDAAMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1[nH]nc2c1CCC2 ZINC000299756225 571192259 /nfs/dbraw/zinc/19/22/59/571192259.db2.gz DWLOQZULJMKIHQ-INIZCTEOSA-N 1 1 354.454 1.806 50 0 FDAAMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1[nH]nc2c1CCC2 ZINC000299756225 571192260 /nfs/dbraw/zinc/19/22/60/571192260.db2.gz DWLOQZULJMKIHQ-INIZCTEOSA-N 1 1 354.454 1.806 50 0 FDAAMO Cc1ccc2nc(C(=O)N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)cn2c1 ZINC000091738218 571195027 /nfs/dbraw/zinc/19/50/27/571195027.db2.gz CFPGTYGIRVJAQW-UHFFFAOYSA-N 1 1 355.442 1.069 50 0 FDAAMO CCc1c(C)[nH+]c(C)nc1NCc1cc2n(n1)CCN(S(C)(=O)=O)C2 ZINC000299778778 571197379 /nfs/dbraw/zinc/19/73/79/571197379.db2.gz SOAYSWYPJNCXBW-UHFFFAOYSA-N 1 1 364.475 1.240 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 ZINC000299781955 571198327 /nfs/dbraw/zinc/19/83/27/571198327.db2.gz UHQIFICMEYCMOH-IAGOWNOFSA-N 1 1 373.457 1.259 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)[C@H](O)C1 ZINC000299781955 571198330 /nfs/dbraw/zinc/19/83/30/571198330.db2.gz UHQIFICMEYCMOH-IAGOWNOFSA-N 1 1 373.457 1.259 50 0 FDAAMO CCOc1cccc(CN(CCO)c2cc([C@H]3CCOC3)[nH+]c(N)n2)c1 ZINC000299781422 571198389 /nfs/dbraw/zinc/19/83/89/571198389.db2.gz SYWYIRRQSIAFPJ-HNNXBMFYSA-N 1 1 358.442 1.960 50 0 FDAAMO CO[C@]12CC[N@@H+](CCCn3nc(C)cc3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000299791787 571201037 /nfs/dbraw/zinc/20/10/37/571201037.db2.gz CWKONCNOGVIUEQ-GBESFXJTSA-N 1 1 351.491 1.911 50 0 FDAAMO Cc1n[nH]c(Cc2ccc(NC(=O)N3CCOC[C@H](C[NH+](C)C)C3)cc2)n1 ZINC000299801291 571203220 /nfs/dbraw/zinc/20/32/20/571203220.db2.gz YQIYGPGULGWLHX-MRXNPFEDSA-N 1 1 372.473 1.746 50 0 FDAAMO Cc1nnc(Cc2ccc(NC(=O)N3CCOC[C@H](C[NH+](C)C)C3)cc2)[nH]1 ZINC000299801291 571203224 /nfs/dbraw/zinc/20/32/24/571203224.db2.gz YQIYGPGULGWLHX-MRXNPFEDSA-N 1 1 372.473 1.746 50 0 FDAAMO Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1NC(=O)C[NH+](C)C ZINC000299800916 571203329 /nfs/dbraw/zinc/20/33/29/571203329.db2.gz TZQDXHKRTIZUJW-UOIKSKOESA-N 1 1 360.458 1.730 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000299801748 571203335 /nfs/dbraw/zinc/20/33/35/571203335.db2.gz QJBAIJXGYNQHQX-SNVBAGLBSA-N 1 1 370.356 1.327 50 0 FDAAMO CC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3cccc(OC)c3)C(=O)C2)C1 ZINC000426590038 571232670 /nfs/dbraw/zinc/23/26/70/571232670.db2.gz UFTVPUOTKQHEKP-KRWDZBQOSA-N 1 1 374.485 1.391 50 0 FDAAMO O=C(NC1CC1)[C@H](O)C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000585087280 571320221 /nfs/dbraw/zinc/32/02/21/571320221.db2.gz IGTIQDWGOPCESV-OAHLLOKOSA-N 1 1 368.380 1.860 50 0 FDAAMO Cc1ccc(CN2CCNC(=O)[C@@H]2Cc2ncnn2-c2cc[nH+]cc2)o1 ZINC000670464480 571358075 /nfs/dbraw/zinc/35/80/75/571358075.db2.gz WYSIOSFDWCWIGD-INIZCTEOSA-N 1 1 352.398 1.107 50 0 FDAAMO CC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000022853514 670698214 /nfs/dbraw/zinc/69/82/14/670698214.db2.gz NTXZCIQKPUWLTE-QGZVFWFLSA-N 1 1 351.491 1.134 50 0 FDAAMO CC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000022853514 670698220 /nfs/dbraw/zinc/69/82/20/670698220.db2.gz NTXZCIQKPUWLTE-QGZVFWFLSA-N 1 1 351.491 1.134 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](Cc2nccs2)CC1 ZINC000077298115 671431118 /nfs/dbraw/zinc/43/11/18/671431118.db2.gz QWJNSMAQOAONRH-UHFFFAOYSA-N 1 1 362.503 1.483 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@@H](COC)[C@H](C(=O)N(C)C)C2)cc1OC ZINC000253413002 672599120 /nfs/dbraw/zinc/59/91/20/672599120.db2.gz SSOMTPNJHQXFFI-JKSUJKDBSA-N 1 1 350.459 1.877 50 0 FDAAMO CCCS(=O)(=O)NC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299323637 676527422 /nfs/dbraw/zinc/52/74/22/676527422.db2.gz NUJFIRPCLAYAFV-KRWDZBQOSA-N 1 1 367.515 1.610 50 0 FDAAMO COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@H+](C)CC2 ZINC000299778155 676539416 /nfs/dbraw/zinc/53/94/16/676539416.db2.gz MHFDATMLVGKRAZ-ZDUSSCGKSA-N 1 1 350.415 1.071 50 0 FDAAMO COC(=O)c1c(OC[C@@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](C)CC2 ZINC000299778155 676539419 /nfs/dbraw/zinc/53/94/19/676539419.db2.gz MHFDATMLVGKRAZ-ZDUSSCGKSA-N 1 1 350.415 1.071 50 0 FDAAMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCCc2occc2C1 ZINC000288737756 772098969 /nfs/dbraw/zinc/09/89/69/772098969.db2.gz HDIDPJLPZBOCFC-HNNXBMFYSA-N 1 1 355.442 1.555 50 0 FDAAMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCCc2occc2C1 ZINC000288737756 772098974 /nfs/dbraw/zinc/09/89/74/772098974.db2.gz HDIDPJLPZBOCFC-HNNXBMFYSA-N 1 1 355.442 1.555 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(n2cc(CO)nn2)CC1 ZINC000023380035 785860850 /nfs/dbraw/zinc/86/08/50/785860850.db2.gz OIOBPLGJIAUVJL-IBGZPJMESA-N 1 1 369.469 1.381 50 0 FDAAMO Nc1cc(C(=O)N2CCC(Cn3cc(C[NH+]4CCCC4)nn3)CC2)ccn1 ZINC000023398375 785930846 /nfs/dbraw/zinc/93/08/46/785930846.db2.gz AUMHWWSWGQPDHV-UHFFFAOYSA-N 1 1 369.473 1.404 50 0 FDAAMO COc1cccc(C[N@@H+]2CC[C@H](CO)[C@H](NC(=O)c3cccnc3)C2)c1 ZINC000581799112 787001072 /nfs/dbraw/zinc/00/10/72/787001072.db2.gz IYVBMZBBBOMHLB-IEBWSBKVSA-N 1 1 355.438 1.703 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@H](CO)[C@H](NC(=O)c3cccnc3)C2)c1 ZINC000581799112 787001077 /nfs/dbraw/zinc/00/10/77/787001077.db2.gz IYVBMZBBBOMHLB-IEBWSBKVSA-N 1 1 355.438 1.703 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO)c1ccc2ncccc2c1 ZINC000257176510 793822260 /nfs/dbraw/zinc/82/22/60/793822260.db2.gz ALGJQOYOFIAASR-QFBILLFUSA-N 1 1 355.438 1.436 50 0 FDAAMO CC(C)c1ccc(C(=O)N2CCC([N@H+]3C[C@H](O)C[C@H]3C(N)=O)CC2)cc1 ZINC000257177627 793832316 /nfs/dbraw/zinc/83/23/16/793832316.db2.gz XKHNZEFMEBMYCP-MSOLQXFVSA-N 1 1 359.470 1.335 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](c2nnc3n2CCN(C(=O)c2cccnc2)CC3)C1 ZINC000257177198 793841528 /nfs/dbraw/zinc/84/15/28/793841528.db2.gz AZWGSOIUPASIEZ-KRWDZBQOSA-N 1 1 368.485 1.817 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)c1[nH]nc2ccccc21 ZINC000257188196 793967874 /nfs/dbraw/zinc/96/78/74/793967874.db2.gz DPDRIGPRAJEPHD-SUMWQHHRSA-N 1 1 351.410 1.181 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)c1[nH]nc2ccccc21 ZINC000257188196 793967879 /nfs/dbraw/zinc/96/78/79/793967879.db2.gz DPDRIGPRAJEPHD-SUMWQHHRSA-N 1 1 351.410 1.181 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)n1 ZINC000674750981 794483580 /nfs/dbraw/zinc/48/35/80/794483580.db2.gz XWIOYUMBYWGGIA-JKSUJKDBSA-N 1 1 352.504 1.636 50 0 FDAAMO Cc1nc(C(C)C)cc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)n1 ZINC000257372120 794885876 /nfs/dbraw/zinc/88/58/76/794885876.db2.gz LHVQNPBLKNRPEB-SFHVURJKSA-N 1 1 361.534 1.876 50 0 FDAAMO Cc1nc(C(C)C)cc(N2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)n1 ZINC000257372120 794885884 /nfs/dbraw/zinc/88/58/84/794885884.db2.gz LHVQNPBLKNRPEB-SFHVURJKSA-N 1 1 361.534 1.876 50 0 FDAAMO CCn1cc(C[N@@H+](C)[C@H]2CCc3nn(CC4CC4)c(=O)n3CC2)c(C)n1 ZINC000169783435 864526692 /nfs/dbraw/zinc/52/66/92/864526692.db2.gz BXVJAFSRJLYGPW-KRWDZBQOSA-N 1 1 358.490 1.817 50 0 FDAAMO O=C([C@H]1CCOC1)N1CCC2(CC1)C[N@H+](C1Cc3ccccc3C1)CCO2 ZINC000827921439 924776403 /nfs/dbraw/zinc/77/64/03/924776403.db2.gz YKKHGHBYANXOGK-IBGZPJMESA-N 1 1 370.493 1.884 50 0 FDAAMO COCc1nnc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2cccn2C)CC3)o1 ZINC000581802513 927586657 /nfs/dbraw/zinc/58/66/57/927586657.db2.gz JFOKQHCJKQJTKR-HNNXBMFYSA-N 1 1 373.457 1.854 50 0 FDAAMO COCc1nnc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2cccn2C)CC3)o1 ZINC000581802513 927586667 /nfs/dbraw/zinc/58/66/67/927586667.db2.gz JFOKQHCJKQJTKR-HNNXBMFYSA-N 1 1 373.457 1.854 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(c3cc(N)nc(N4CCCC4)n3)CC2)C[C@H](C)O1 ZINC000065433105 927651162 /nfs/dbraw/zinc/65/11/62/927651162.db2.gz JGMTYTBEQKXBCA-GASCZTMLSA-N 1 1 360.506 1.737 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000952854092 960170170 /nfs/dbraw/zinc/17/01/70/960170170.db2.gz PFQSLVDCTXTQOH-GFCCVEGCSA-N 1 1 351.834 1.127 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2OC)C1 ZINC000952966177 960252196 /nfs/dbraw/zinc/25/21/96/960252196.db2.gz GELTZLPQXUMQBI-HNNXBMFYSA-N 1 1 356.488 1.592 50 0 FDAAMO COc1ccnc(C[NH+]2CCC(CNC(=O)c3cnccn3)CC2)c1OC ZINC000952974255 960268118 /nfs/dbraw/zinc/26/81/18/960268118.db2.gz NQJIVPGUQQHULY-UHFFFAOYSA-N 1 1 371.441 1.531 50 0 FDAAMO COc1cccc([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952975489 960271016 /nfs/dbraw/zinc/27/10/16/960271016.db2.gz YVBUDWVJNRGWBY-SJLPKXTDSA-N 1 1 359.470 1.946 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000952979008 960278370 /nfs/dbraw/zinc/27/83/70/960278370.db2.gz FKMAZHYYBPRNMT-NSHDSACASA-N 1 1 363.849 1.072 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000952979008 960278377 /nfs/dbraw/zinc/27/83/77/960278377.db2.gz FKMAZHYYBPRNMT-NSHDSACASA-N 1 1 363.849 1.072 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000952979008 960278387 /nfs/dbraw/zinc/27/83/87/960278387.db2.gz FKMAZHYYBPRNMT-NSHDSACASA-N 1 1 363.849 1.072 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000952988784 960312111 /nfs/dbraw/zinc/31/21/11/960312111.db2.gz PCCDYKFWSZWTFL-OAHLLOKOSA-N 1 1 356.426 1.472 50 0 FDAAMO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000190835259 178026208 /nfs/dbraw/zinc/02/62/08/178026208.db2.gz WURNPNODZDIYLL-MRXNPFEDSA-N 1 1 366.487 1.435 50 0 FDAAMO CCC[NH+]1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263617220 210223487 /nfs/dbraw/zinc/22/34/87/210223487.db2.gz MTPWVSZGMBLWJY-KRWDZBQOSA-N 1 1 373.432 1.857 50 0 FDAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cnc2ccccc2c1=O ZINC000299798528 210037389 /nfs/dbraw/zinc/03/73/89/210037389.db2.gz QLXVHUKSLGEHFI-CVEARBPZSA-N 1 1 354.454 1.872 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCOCc1ccc(Cl)cc1 ZINC000299788989 210031986 /nfs/dbraw/zinc/03/19/86/210031986.db2.gz VTBLKOQJHGICFA-HNNXBMFYSA-N 1 1 353.850 1.183 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCOCc1ccc(Cl)cc1 ZINC000299788989 210031989 /nfs/dbraw/zinc/03/19/89/210031989.db2.gz VTBLKOQJHGICFA-HNNXBMFYSA-N 1 1 353.850 1.183 50 0 FDAAMO Cc1ccc(-n2cnnc2)cc1NC(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000299778495 210023033 /nfs/dbraw/zinc/02/30/33/210023033.db2.gz MSKBFSNQWGKPFT-INIZCTEOSA-N 1 1 358.446 1.544 50 0 FDAAMO CCNc1ncc(C(=O)N2CCCC[C@@H]2CCN2CC[NH+](C)CC2)cn1 ZINC000299777825 210023960 /nfs/dbraw/zinc/02/39/60/210023960.db2.gz CQLSSSQTDGOYPW-QGZVFWFLSA-N 1 1 360.506 1.541 50 0 FDAAMO Cc1ccnc(SCC(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)n1 ZINC000299758940 210012101 /nfs/dbraw/zinc/01/21/01/210012101.db2.gz MHLXZGAZNLOVQE-UHFFFAOYSA-N 1 1 363.531 1.506 50 0 FDAAMO Cc1ccnc(SCC(=O)N2CCC3(CC2)CN(C)CCC[N@@H+]3C)n1 ZINC000299758940 210012106 /nfs/dbraw/zinc/01/21/06/210012106.db2.gz MHLXZGAZNLOVQE-UHFFFAOYSA-N 1 1 363.531 1.506 50 0 FDAAMO Cc1ccnc(SCC(=O)N2CCC3(CC2)CN(C)CCC[N@H+]3C)n1 ZINC000299758940 210012110 /nfs/dbraw/zinc/01/21/10/210012110.db2.gz MHLXZGAZNLOVQE-UHFFFAOYSA-N 1 1 363.531 1.506 50 0 FDAAMO C[N@H+](CC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)Cc1ccccc1 ZINC000299758691 210010274 /nfs/dbraw/zinc/01/02/74/210010274.db2.gz KURBBXZJLUOFSN-JTJHWIPRSA-N 1 1 374.481 1.133 50 0 FDAAMO C[N@@H+](CC(=O)N1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21)Cc1ccccc1 ZINC000299758691 210010276 /nfs/dbraw/zinc/01/02/76/210010276.db2.gz KURBBXZJLUOFSN-JTJHWIPRSA-N 1 1 374.481 1.133 50 0 FDAAMO Cn1c(CCNC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)n[nH]c1=O ZINC000244673965 222928247 /nfs/dbraw/zinc/92/82/47/222928247.db2.gz HYZVJDDURFIAIW-INIZCTEOSA-N 1 1 361.421 1.133 50 0 FDAAMO CNc1cc(-c2ccc(C(=O)N[C@H](C)CCn3cccn3)cc2)[nH+]c(N)n1 ZINC000534637781 540393066 /nfs/dbraw/zinc/39/30/66/540393066.db2.gz DFLWZCZNGZBFNB-CYBMUJFWSA-N 1 1 365.441 1.595 50 0 FDAAMO COCC[NH+]1CCN(C(=O)NCCc2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000534644001 540393995 /nfs/dbraw/zinc/39/39/95/540393995.db2.gz RZBWTJWGGKOQEH-UHFFFAOYSA-N 1 1 359.474 1.696 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000006981052 219785396 /nfs/dbraw/zinc/78/53/96/219785396.db2.gz QFDCSUVRFYXSNZ-UHFFFAOYSA-N 1 1 372.469 1.959 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000006981052 219785399 /nfs/dbraw/zinc/78/53/99/219785399.db2.gz QFDCSUVRFYXSNZ-UHFFFAOYSA-N 1 1 372.469 1.959 50 0 FDAAMO O=C(Cn1nc2c(cc1=O)CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000061718540 212025616 /nfs/dbraw/zinc/02/56/16/212025616.db2.gz CDRVADADAFIVEX-UHFFFAOYSA-N 1 1 366.465 1.467 50 0 FDAAMO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)no1 ZINC000017025617 220199855 /nfs/dbraw/zinc/19/98/55/220199855.db2.gz DIAKJCYPAPFEPL-MRXNPFEDSA-N 1 1 372.425 1.501 50 0 FDAAMO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)no1 ZINC000017025617 220199860 /nfs/dbraw/zinc/19/98/60/220199860.db2.gz DIAKJCYPAPFEPL-MRXNPFEDSA-N 1 1 372.425 1.501 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000286165015 183003281 /nfs/dbraw/zinc/00/32/81/183003281.db2.gz YFFYCECIWPHTEP-OCCSQVGLSA-N 1 1 354.472 1.745 50 0 FDAAMO COCc1ccc(OC)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000286165015 183003282 /nfs/dbraw/zinc/00/32/82/183003282.db2.gz YFFYCECIWPHTEP-OCCSQVGLSA-N 1 1 354.472 1.745 50 0 FDAAMO CCOC(=O)N1CCC(N2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)CC1 ZINC000020351636 211276343 /nfs/dbraw/zinc/27/63/43/211276343.db2.gz NCSDRAQTPMEELC-SFHVURJKSA-N 1 1 353.507 1.919 50 0 FDAAMO O=C1O[C@@H]2C[N@H+](C3CSCCSC3)C[C@@H]2N1Cc1ccccn1 ZINC000020149545 211269560 /nfs/dbraw/zinc/26/95/60/211269560.db2.gz OSDUGKZQFYPHJZ-LSDHHAIUSA-N 1 1 351.497 1.935 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000019889805 211260421 /nfs/dbraw/zinc/26/04/21/211260421.db2.gz VGQKQEODWRJAKL-AWEZNQCLSA-N 1 1 369.462 1.000 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000019868846 211258559 /nfs/dbraw/zinc/25/85/59/211258559.db2.gz HSLGLCQRRRZPRP-AWEZNQCLSA-N 1 1 371.528 1.313 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C[C@H]2O)CC1 ZINC000019221584 211206367 /nfs/dbraw/zinc/20/63/67/211206367.db2.gz MDFFDPWELXTMSB-QZTJIDSGSA-N 1 1 365.905 1.482 50 0 FDAAMO CCN(CC)c1ccc2nnc(CCC(=O)N3CC[NH+](CC)CC3)n2n1 ZINC000015678817 211137039 /nfs/dbraw/zinc/13/70/39/211137039.db2.gz IQZBIFOLNXUKGJ-UHFFFAOYSA-N 1 1 359.478 1.067 50 0 FDAAMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000014980197 211111993 /nfs/dbraw/zinc/11/19/93/211111993.db2.gz WSXWIUQBHOTWDM-HNNXBMFYSA-N 1 1 358.417 1.656 50 0 FDAAMO CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000014980197 211111998 /nfs/dbraw/zinc/11/19/98/211111998.db2.gz WSXWIUQBHOTWDM-HNNXBMFYSA-N 1 1 358.417 1.656 50 0 FDAAMO CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000014967599 211109389 /nfs/dbraw/zinc/10/93/89/211109389.db2.gz YVNFQZXUVJMLMN-OAHLLOKOSA-N 1 1 369.487 1.066 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000004333352 210524735 /nfs/dbraw/zinc/52/47/35/210524735.db2.gz MFFYQOIODUMSJJ-UHFFFAOYSA-N 1 1 365.499 1.490 50 0 FDAAMO O=C(NC(=S)N1CC[NH+](CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000021539572 220358875 /nfs/dbraw/zinc/35/88/75/220358875.db2.gz DPUNYQBWNDWMEF-UHFFFAOYSA-N 1 1 351.516 1.214 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058168616 221102035 /nfs/dbraw/zinc/10/20/35/221102035.db2.gz ZHZVJGLAUXUGSO-AWEZNQCLSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1F)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058168616 221102038 /nfs/dbraw/zinc/10/20/38/221102038.db2.gz ZHZVJGLAUXUGSO-AWEZNQCLSA-N 1 1 360.426 1.840 50 0 FDAAMO CC(C)Cn1ccc2c(cc(C(=O)NCCC[NH+]3CCOCC3)n2C)c1=O ZINC000065118934 221169770 /nfs/dbraw/zinc/16/97/70/221169770.db2.gz HHYOBEYQYRDPAW-UHFFFAOYSA-N 1 1 374.485 1.448 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000065362359 221202058 /nfs/dbraw/zinc/20/20/58/221202058.db2.gz OALRNNOGMITALZ-INIZCTEOSA-N 1 1 353.488 1.314 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc(N(C)C)[nH+]1 ZINC000065365668 221203461 /nfs/dbraw/zinc/20/34/61/221203461.db2.gz VXPXZGDCRJNKMP-UHFFFAOYSA-N 1 1 369.878 1.895 50 0 FDAAMO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1S(=O)(=O)c1c(C)cccc1Cl ZINC000065407486 221215179 /nfs/dbraw/zinc/21/51/79/221215179.db2.gz CWTKWWKJRJSJDY-YPMHNXCESA-N 1 1 360.863 1.515 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065423368 221217885 /nfs/dbraw/zinc/21/78/85/221217885.db2.gz UASINEBKIHKISB-SFHVURJKSA-N 1 1 368.437 1.459 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCn2nc(C(=O)OC)cc2C1 ZINC000065423368 221217895 /nfs/dbraw/zinc/21/78/95/221217895.db2.gz UASINEBKIHKISB-SFHVURJKSA-N 1 1 368.437 1.459 50 0 FDAAMO CN(CC1CC[NH+](CCO)CC1)c1nc(N)[nH+]c2ccc(C(=O)[O-])cc21 ZINC000065454967 221219857 /nfs/dbraw/zinc/21/98/57/221219857.db2.gz DJYQUVMVDDTKOA-UHFFFAOYSA-N 1 1 359.430 1.051 50 0 FDAAMO CCOc1ccccc1N1CCN(c2nc(N3CC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000065502912 221227323 /nfs/dbraw/zinc/22/73/23/221227323.db2.gz VITUIRNAGKIXAF-MRXNPFEDSA-N 1 1 369.469 1.773 50 0 FDAAMO Cc1nn(CCO)c(C)c1[C@H]1N[C@](CO)(c2ccccc2)[C@H]2C[N@@H+](C)C[C@H]21 ZINC000065530977 221230881 /nfs/dbraw/zinc/23/08/81/221230881.db2.gz HPNOBTCTTFAFDO-YXYSEUPNSA-N 1 1 370.497 1.202 50 0 FDAAMO Cc1cnc(C[NH2+]C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)cn1 ZINC000067447270 221254971 /nfs/dbraw/zinc/25/49/71/221254971.db2.gz DWNJCTKJVOVFKX-FQEVSTJZSA-N 1 1 354.454 1.471 50 0 FDAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067473486 221257188 /nfs/dbraw/zinc/25/71/88/221257188.db2.gz OCZKZRGOMLTEBN-KRWDZBQOSA-N 1 1 369.469 1.751 50 0 FDAAMO CNC(=O)C[NH+]1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000067587861 221260731 /nfs/dbraw/zinc/26/07/31/221260731.db2.gz NDPFFADFBPLWIH-UHFFFAOYSA-N 1 1 359.405 1.657 50 0 FDAAMO CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCCN(Cc2cc(C)[nH]n2)C1 ZINC000067714620 221276324 /nfs/dbraw/zinc/27/63/24/221276324.db2.gz OSZXPLQVEFEWOP-OAHLLOKOSA-N 1 1 361.494 1.037 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnc2ccccc2c1 ZINC000067770550 221282726 /nfs/dbraw/zinc/28/27/26/221282726.db2.gz FDJTXDIXFKDYFR-SFHVURJKSA-N 1 1 354.454 1.792 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cnc2ccccc2c1 ZINC000067770550 221282727 /nfs/dbraw/zinc/28/27/27/221282727.db2.gz FDJTXDIXFKDYFR-SFHVURJKSA-N 1 1 354.454 1.792 50 0 FDAAMO O=C1NCCN2CC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]12 ZINC000067822092 221291258 /nfs/dbraw/zinc/29/12/58/221291258.db2.gz KHPPADSZVKICDZ-SFHVURJKSA-N 1 1 362.437 1.012 50 0 FDAAMO O=C1NCCN2CC[N@@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]12 ZINC000067822092 221291261 /nfs/dbraw/zinc/29/12/61/221291261.db2.gz KHPPADSZVKICDZ-SFHVURJKSA-N 1 1 362.437 1.012 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[N@@H+](C)CCc3cn[nH]c3)C2=O)c1 ZINC000067834187 221292091 /nfs/dbraw/zinc/29/20/91/221292091.db2.gz NXXMWEUYKYFDBZ-FQEVSTJZSA-N 1 1 356.470 1.746 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c[nH]c(C)n3)CC2)C1 ZINC000067847866 221294176 /nfs/dbraw/zinc/29/41/76/221294176.db2.gz FHGCHJRVKRPYPH-MRXNPFEDSA-N 1 1 363.506 1.157 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cnc(C)[nH]3)CC2)C1 ZINC000067847866 221294181 /nfs/dbraw/zinc/29/41/81/221294181.db2.gz FHGCHJRVKRPYPH-MRXNPFEDSA-N 1 1 363.506 1.157 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cnc(C)[nH]3)CC2)C1 ZINC000067847866 221294185 /nfs/dbraw/zinc/29/41/85/221294185.db2.gz FHGCHJRVKRPYPH-MRXNPFEDSA-N 1 1 363.506 1.157 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+](C)CCCO)C2=O)c1 ZINC000067847226 221294358 /nfs/dbraw/zinc/29/43/58/221294358.db2.gz MOJDAZDBRUHABM-GOSISDBHSA-N 1 1 354.422 1.002 50 0 FDAAMO CC(C)[C@H](NC(=O)c1n[nH]c2ccccc21)c1nnc2n1CC[NH2+]CC2 ZINC000067871624 221298025 /nfs/dbraw/zinc/29/80/25/221298025.db2.gz URAJUFXEXBZXJU-HNNXBMFYSA-N 1 1 353.430 1.427 50 0 FDAAMO CCCc1ccc(CN2CC[N@@H+](C)C3(CCN(C(=O)COC)CC3)C2)o1 ZINC000067833345 221290967 /nfs/dbraw/zinc/29/09/67/221290967.db2.gz JXXKFPYZIJJRHW-UHFFFAOYSA-N 1 1 363.502 1.987 50 0 FDAAMO CCCc1ccc(C[N@@H+]2CCN(C)C3(CCN(C(=O)COC)CC3)C2)o1 ZINC000067833345 221290969 /nfs/dbraw/zinc/29/09/69/221290969.db2.gz JXXKFPYZIJJRHW-UHFFFAOYSA-N 1 1 363.502 1.987 50 0 FDAAMO CCCc1ccc(C[N@H+]2CCN(C)C3(CCN(C(=O)COC)CC3)C2)o1 ZINC000067833345 221290974 /nfs/dbraw/zinc/29/09/74/221290974.db2.gz JXXKFPYZIJJRHW-UHFFFAOYSA-N 1 1 363.502 1.987 50 0 FDAAMO Cc1c(C(=O)N2CCC3(CC2)[NH2+]CCNC3=O)[nH]c2c1c(C)ccc2C ZINC000067975793 221311917 /nfs/dbraw/zinc/31/19/17/221311917.db2.gz FLJABGQEAWFZGW-UHFFFAOYSA-N 1 1 354.454 1.787 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(CN3CCC([NH3+])CC3)C2=O)c1 ZINC000067909582 221304201 /nfs/dbraw/zinc/30/42/01/221304201.db2.gz QVFWMSDFDCHZTQ-IBGZPJMESA-N 1 1 365.449 1.111 50 0 FDAAMO Cc1c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c2ccccc2n1CC(N)=O ZINC000067934642 221306107 /nfs/dbraw/zinc/30/61/07/221306107.db2.gz ZMIWFFYWCVJFEJ-OAQYLSRUSA-N 1 1 368.481 1.879 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cnccn3)CC2)C1 ZINC000071388601 221345081 /nfs/dbraw/zinc/34/50/81/221345081.db2.gz ISSTWYLFZYCNGI-CQSZACIVSA-N 1 1 357.458 1.072 50 0 FDAAMO O=C(NCCCO)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071405542 221346708 /nfs/dbraw/zinc/34/67/08/221346708.db2.gz MYKCTANCRVNGJZ-HXUWFJFHSA-N 1 1 373.541 1.904 50 0 FDAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)cc1OC ZINC000071746621 221358627 /nfs/dbraw/zinc/35/86/27/221358627.db2.gz DDPQZUKDYGRLRA-CYBMUJFWSA-N 1 1 373.409 1.175 50 0 FDAAMO Cc1cnc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071746993 221359810 /nfs/dbraw/zinc/35/98/10/221359810.db2.gz GWSKLVHPRUWOTB-OAHLLOKOSA-N 1 1 371.485 1.380 50 0 FDAAMO O=C(NCCn1ccnc1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071751825 221364397 /nfs/dbraw/zinc/36/43/97/221364397.db2.gz XWDKOZYZZRYYBH-KRWDZBQOSA-N 1 1 373.501 1.112 50 0 FDAAMO CCN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071762284 221369823 /nfs/dbraw/zinc/36/98/23/221369823.db2.gz ABYDETPMLUIKHD-LJQANCHMSA-N 1 1 374.529 1.599 50 0 FDAAMO CC[C@@H]1C[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)CCC(=O)N1Cc1ccccc1 ZINC000071763577 221371199 /nfs/dbraw/zinc/37/11/99/221371199.db2.gz NSEHRMUFRBXLJN-MRXNPFEDSA-N 1 1 356.426 1.076 50 0 FDAAMO O=C(N[C@@H]1CCN(c2ccc3c([nH+]2)CCCC3)C[C@H]1O)c1cnccn1 ZINC000077459946 132185811 /nfs/dbraw/zinc/18/58/11/132185811.db2.gz GSCAAZDWCUHFJS-NVXWUHKLSA-N 1 1 353.426 1.120 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)c1cc(N2CCC(O)CC2)ncn1 ZINC000095525580 132214531 /nfs/dbraw/zinc/21/45/31/132214531.db2.gz CVALQSJPEBCABV-SFHVURJKSA-N 1 1 367.497 1.931 50 0 FDAAMO Cc1nc2c(c(N3CC[N@H+](C)[C@H](CCO)C3)n1)Cc1ccccc1OC2 ZINC000096133432 132219644 /nfs/dbraw/zinc/21/96/44/132219644.db2.gz WUOHNXNPFOEIAD-MRXNPFEDSA-N 1 1 354.454 1.771 50 0 FDAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000252552017 132293332 /nfs/dbraw/zinc/29/33/32/132293332.db2.gz ULHDWCGRINKQLP-SJORKVTESA-N 1 1 373.501 1.779 50 0 FDAAMO OCC[NH+]1CCN(c2nc3ccccc3c(NC[C@H]3CCCO3)n2)CC1 ZINC000000808324 132378652 /nfs/dbraw/zinc/37/86/52/132378652.db2.gz FAPMUKZLPNFZGY-OAHLLOKOSA-N 1 1 357.458 1.335 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nccnc3C)CC2)C1 ZINC000071388525 136139113 /nfs/dbraw/zinc/13/91/13/136139113.db2.gz RXQURMJFIKRMEB-INIZCTEOSA-N 1 1 361.490 1.228 50 0 FDAAMO Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc(N)n1 ZINC000071589744 136139445 /nfs/dbraw/zinc/13/94/45/136139445.db2.gz GFMOCDLXHLLVMI-MRXNPFEDSA-N 1 1 372.517 1.670 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc(N)n1 ZINC000071589744 136139446 /nfs/dbraw/zinc/13/94/46/136139446.db2.gz GFMOCDLXHLLVMI-MRXNPFEDSA-N 1 1 372.517 1.670 50 0 FDAAMO COc1nccnc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775694 136141153 /nfs/dbraw/zinc/14/11/53/136141153.db2.gz GUAMIIHAHPPVKP-INIZCTEOSA-N 1 1 373.501 1.788 50 0 FDAAMO O=C(c1ccccc1F)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437532 136147514 /nfs/dbraw/zinc/14/75/14/136147514.db2.gz ZAIQSVUMBZBXRN-UHFFFAOYSA-N 1 1 371.416 1.415 50 0 FDAAMO O=C(Cc1ccccc1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000072437803 136147546 /nfs/dbraw/zinc/14/75/46/136147546.db2.gz KISKQQPJONXVRT-UHFFFAOYSA-N 1 1 367.453 1.205 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(c2nccnc2OC)C[C@@H]1CCO ZINC000072478558 136149561 /nfs/dbraw/zinc/14/95/61/136149561.db2.gz IGDIWKNRJSPUDK-KRWDZBQOSA-N 1 1 372.469 1.957 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(c2nccnc2OC)C[C@@H]1CCO ZINC000072478558 136149562 /nfs/dbraw/zinc/14/95/62/136149562.db2.gz IGDIWKNRJSPUDK-KRWDZBQOSA-N 1 1 372.469 1.957 50 0 FDAAMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891440 173354521 /nfs/dbraw/zinc/35/45/21/173354521.db2.gz SUJCDMBYNNJRJV-YOEHRIQHSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891440 173354523 /nfs/dbraw/zinc/35/45/23/173354523.db2.gz SUJCDMBYNNJRJV-YOEHRIQHSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC000135891440 173354524 /nfs/dbraw/zinc/35/45/24/173354524.db2.gz SUJCDMBYNNJRJV-YOEHRIQHSA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)NC(=O)NC ZINC000135891440 173354525 /nfs/dbraw/zinc/35/45/25/173354525.db2.gz SUJCDMBYNNJRJV-YOEHRIQHSA-N 1 1 361.490 1.378 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C[N@@H+]1C ZINC000096141788 222045665 /nfs/dbraw/zinc/04/56/65/222045665.db2.gz HLOMLMMFKPCWCB-KSSFIOAISA-N 1 1 372.469 1.847 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C[N@H+]1C ZINC000096141788 222045667 /nfs/dbraw/zinc/04/56/67/222045667.db2.gz HLOMLMMFKPCWCB-KSSFIOAISA-N 1 1 372.469 1.847 50 0 FDAAMO Cc1nccn1CCC[N@H+]1C[C@H]2C[NH+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096166980 222066469 /nfs/dbraw/zinc/06/64/69/222066469.db2.gz BJGLTZTVHYROOY-LPHOPBHVSA-N 1 1 362.474 1.079 50 0 FDAAMO Cc1nccn1CCC[NH+]1C[C@H]2C[N@@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096166980 222066472 /nfs/dbraw/zinc/06/64/72/222066472.db2.gz BJGLTZTVHYROOY-LPHOPBHVSA-N 1 1 362.474 1.079 50 0 FDAAMO Cc1nccn1CCC[NH+]1C[C@H]2C[N@H+](C3CCOCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096166980 222066477 /nfs/dbraw/zinc/06/64/77/222066477.db2.gz BJGLTZTVHYROOY-LPHOPBHVSA-N 1 1 362.474 1.079 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccncc2)C[N@H+]1C1CCCCC1 ZINC000096180527 222068339 /nfs/dbraw/zinc/06/83/39/222068339.db2.gz PEPMLIFUOCCMFI-WMZOPIPTSA-N 1 1 358.486 1.652 50 0 FDAAMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCCN2CCOCC2)cc1 ZINC000097301373 222172555 /nfs/dbraw/zinc/17/25/55/222172555.db2.gz MLJNRTAEIGTNGB-LJQANCHMSA-N 1 1 361.486 1.498 50 0 FDAAMO CN(C)C1=NC(=O)C2(CC[NH+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)N1 ZINC000097475455 222183069 /nfs/dbraw/zinc/18/30/69/222183069.db2.gz IXASUDIIBAWNPS-HNNXBMFYSA-N 1 1 360.458 1.903 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000097604165 222198202 /nfs/dbraw/zinc/19/82/02/222198202.db2.gz VMGBUJMURRQJIE-SFHVURJKSA-N 1 1 352.438 1.533 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000097604165 222198206 /nfs/dbraw/zinc/19/82/06/222198206.db2.gz VMGBUJMURRQJIE-SFHVURJKSA-N 1 1 352.438 1.533 50 0 FDAAMO CN(C)C1=NC(=O)C2(CC[NH+](Cc3cnn(-c4ccccc4F)c3)CC2)N1 ZINC000097660379 222204923 /nfs/dbraw/zinc/20/49/23/222204923.db2.gz JPUPKURMEUJYDT-UHFFFAOYSA-N 1 1 370.432 1.393 50 0 FDAAMO CCN(CC[NH+](C)C)C(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccccc3C(=O)[O-])C[C@@H]21 ZINC000102663881 222304346 /nfs/dbraw/zinc/30/43/46/222304346.db2.gz DWFFVXZUUVKJRD-PIIMJCKOSA-N 1 1 359.470 1.473 50 0 FDAAMO CCOCc1nc2c(c(N3CC=CC3)n1)CC[N@H+](C1CCOCC1)CC2 ZINC000102740827 222306658 /nfs/dbraw/zinc/30/66/58/222306658.db2.gz YSVPUSJGYQNBAA-UHFFFAOYSA-N 1 1 358.486 1.969 50 0 FDAAMO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc1C ZINC000104501414 222359144 /nfs/dbraw/zinc/35/91/44/222359144.db2.gz UDJMSBYZPBABHW-LJQANCHMSA-N 1 1 358.486 1.806 50 0 FDAAMO COc1ccc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@H]2CCO)cc1C ZINC000104501414 222359150 /nfs/dbraw/zinc/35/91/50/222359150.db2.gz UDJMSBYZPBABHW-LJQANCHMSA-N 1 1 358.486 1.806 50 0 FDAAMO CSc1ncc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cn1 ZINC000104521393 222359565 /nfs/dbraw/zinc/35/95/65/222359565.db2.gz VMWBXLSOLJTOQS-QGZVFWFLSA-N 1 1 365.547 1.161 50 0 FDAAMO CSc1ncc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cn1 ZINC000104521393 222359569 /nfs/dbraw/zinc/35/95/69/222359569.db2.gz VMWBXLSOLJTOQS-QGZVFWFLSA-N 1 1 365.547 1.161 50 0 FDAAMO COc1cc2c(cc1CN1CC[N@@H+](C)[C@@]3(C1)CCNC(=O)CC3)CCC2 ZINC000107662385 222399495 /nfs/dbraw/zinc/39/94/95/222399495.db2.gz IBQVCMPJSVIFES-OAQYLSRUSA-N 1 1 357.498 1.970 50 0 FDAAMO COc1coc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cc1=O ZINC000329160471 259081473 /nfs/dbraw/zinc/08/14/73/259081473.db2.gz DTBCWLYKENPIRB-SCLBCKFNSA-N 1 1 374.441 1.537 50 0 FDAAMO COc1coc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc1=O ZINC000329160471 259081474 /nfs/dbraw/zinc/08/14/74/259081474.db2.gz DTBCWLYKENPIRB-SCLBCKFNSA-N 1 1 374.441 1.537 50 0 FDAAMO CC[N@H+](CC(=O)NC(C)(C)C)C[C@@H](O)COCc1ccccc1OC ZINC000002624920 518244252 /nfs/dbraw/zinc/24/42/52/518244252.db2.gz YTOKDZGMHOHEDN-MRXNPFEDSA-N 1 1 352.475 1.809 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1 ZINC000005439178 518345081 /nfs/dbraw/zinc/34/50/81/518345081.db2.gz ZDXJVCPDZSMJOS-UHFFFAOYSA-N 1 1 351.472 1.394 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000008325245 518470122 /nfs/dbraw/zinc/47/01/22/518470122.db2.gz HQHSDSXGRIIBJD-CYBMUJFWSA-N 1 1 355.460 1.416 50 0 FDAAMO CCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000008706146 518482611 /nfs/dbraw/zinc/48/26/11/518482611.db2.gz CQQHVJQJCKXYCI-UHFFFAOYSA-N 1 1 366.425 1.469 50 0 FDAAMO COc1ccccc1[C@H]1[NH+]=C(N2CCOCC2)Nc2nc(C)cc(=O)n21 ZINC000008992129 518493508 /nfs/dbraw/zinc/49/35/08/518493508.db2.gz FOHPXMCZAXIYSQ-INIZCTEOSA-N 1 1 355.398 1.221 50 0 FDAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000009513882 518507342 /nfs/dbraw/zinc/50/73/42/518507342.db2.gz POLRSWCWPQNOOX-IRXDYDNUSA-N 1 1 351.443 1.618 50 0 FDAAMO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@H]1c1ccccc1OC ZINC000010339386 518534226 /nfs/dbraw/zinc/53/42/26/518534226.db2.gz NSIRBCRSOZSYDT-CVEARBPZSA-N 1 1 359.426 1.887 50 0 FDAAMO Cc1cc(C)n(CC(=O)NCc2cccnc2N2CCC[N@H+](C)CC2)n1 ZINC000011838551 518573131 /nfs/dbraw/zinc/57/31/31/518573131.db2.gz AIVRIHNPQKZWSV-UHFFFAOYSA-N 1 1 356.474 1.353 50 0 FDAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)Cn1cnnn1 ZINC000012203133 518596830 /nfs/dbraw/zinc/59/68/30/518596830.db2.gz DQQFKSQMEZPMSH-HNNXBMFYSA-N 1 1 360.437 1.225 50 0 FDAAMO CC1(C)C(=O)NCC[N@H+]1C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012315087 518602750 /nfs/dbraw/zinc/60/27/50/518602750.db2.gz SUMLIQVYHORERL-IBGZPJMESA-N 1 1 351.491 1.131 50 0 FDAAMO CC1(C)C(=O)NCC[N@@H+]1C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012315087 518602757 /nfs/dbraw/zinc/60/27/57/518602757.db2.gz SUMLIQVYHORERL-IBGZPJMESA-N 1 1 351.491 1.131 50 0 FDAAMO O=C(c1ccccc1-n1cnnn1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000012812191 518637628 /nfs/dbraw/zinc/63/76/28/518637628.db2.gz IKRJSMXYEIERBY-UHFFFAOYSA-N 1 1 362.437 1.663 50 0 FDAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nc(N4CCOCC4)ncc3C2)c1 ZINC000021039158 518862862 /nfs/dbraw/zinc/86/28/62/518862862.db2.gz SLCQQPCAXLROFF-UHFFFAOYSA-N 1 1 370.453 1.889 50 0 FDAAMO COc1ccc(OC)c(C[N@H+]2CCc3nc(N4CCOCC4)ncc3C2)c1 ZINC000021039158 518862866 /nfs/dbraw/zinc/86/28/66/518862866.db2.gz SLCQQPCAXLROFF-UHFFFAOYSA-N 1 1 370.453 1.889 50 0 FDAAMO COC(=O)CC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000024621518 519000237 /nfs/dbraw/zinc/00/02/37/519000237.db2.gz YLTLBHLWTRLLPS-UHFFFAOYSA-N 1 1 373.375 1.825 50 0 FDAAMO Cc1ccc(C(=O)NCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000028015676 519214674 /nfs/dbraw/zinc/21/46/74/519214674.db2.gz PGMKLWRWLOSXQX-SFHVURJKSA-N 1 1 361.486 1.506 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)C1=O ZINC000032909485 519550120 /nfs/dbraw/zinc/55/01/20/519550120.db2.gz ILWWYRJFYHYSMF-IBGZPJMESA-N 1 1 358.442 1.618 50 0 FDAAMO Cc1nn(C)c2ncc(C(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)cc12 ZINC000032920961 519552829 /nfs/dbraw/zinc/55/28/29/519552829.db2.gz OHLLYRXFIMKGPR-STQMWFEESA-N 1 1 359.474 1.894 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000034667300 519593264 /nfs/dbraw/zinc/59/32/64/519593264.db2.gz UTNINHOEWVCNDW-MSOLQXFVSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000034667300 519593270 /nfs/dbraw/zinc/59/32/70/519593270.db2.gz UTNINHOEWVCNDW-MSOLQXFVSA-N 1 1 368.449 1.386 50 0 FDAAMO CC(C)COC[C@H](O)C[N@@H+](CCN1CCOCC1)Cc1cccs1 ZINC000036103295 519616831 /nfs/dbraw/zinc/61/68/31/519616831.db2.gz YWQOUAVPCCSPRF-QGZVFWFLSA-N 1 1 356.532 1.916 50 0 FDAAMO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000040009513 519637935 /nfs/dbraw/zinc/63/79/35/519637935.db2.gz CLFSCKWVMJGWDX-KRWDZBQOSA-N 1 1 373.478 1.599 50 0 FDAAMO COCCCNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000039998273 519638178 /nfs/dbraw/zinc/63/81/78/519638178.db2.gz NXFJYXIKULXLHD-UHFFFAOYSA-N 1 1 373.419 1.976 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1Cl ZINC000040086971 519639977 /nfs/dbraw/zinc/63/99/77/519639977.db2.gz PUHJAEAAUIJCHB-HNNXBMFYSA-N 1 1 373.844 1.569 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1c2ccccc2N(C(C)C)C1=O ZINC000040286502 519642356 /nfs/dbraw/zinc/64/23/56/519642356.db2.gz LLDXMDVEDYEZEE-WMLDXEAASA-N 1 1 372.469 1.199 50 0 FDAAMO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000252679625 519677774 /nfs/dbraw/zinc/67/77/74/519677774.db2.gz PISRKMPQJXCHMX-YPMHNXCESA-N 1 1 357.501 1.241 50 0 FDAAMO CCOC(=O)C1C(CN2CC[NH+](CC)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283414 520514570 /nfs/dbraw/zinc/51/45/70/520514570.db2.gz HOUQPNKKHGFUOR-SFHVURJKSA-N 1 1 372.469 1.495 50 0 FDAAMO Cc1ccnc2nc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)nn21 ZINC000057475840 522097457 /nfs/dbraw/zinc/09/74/57/522097457.db2.gz DZBPFKAYOGBTJB-CQSZACIVSA-N 1 1 354.414 1.983 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)nc3)C2)cc(=O)[nH]1 ZINC000072145625 522170038 /nfs/dbraw/zinc/17/00/38/522170038.db2.gz JANVIZXHIZIILC-MRXNPFEDSA-N 1 1 354.458 1.848 50 0 FDAAMO O=C(NC[C@@]1(O)CCC[N@@H+](C/C=C/c2ccccc2)CC1)N1CCOCC1 ZINC000072145779 522171321 /nfs/dbraw/zinc/17/13/21/522171321.db2.gz IUMJEVRXAFIWNC-FAZYEBOESA-N 1 1 373.497 1.959 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cn2c(n1)CNCC2 ZINC000072152716 522181223 /nfs/dbraw/zinc/18/12/23/522181223.db2.gz CWHQFELHFDDTQT-KRWDZBQOSA-N 1 1 353.470 1.596 50 0 FDAAMO COCCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072169506 522195846 /nfs/dbraw/zinc/19/58/46/522195846.db2.gz WKYFZXPWWRVHPX-IBGZPJMESA-N 1 1 369.465 1.683 50 0 FDAAMO COCCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072169506 522195850 /nfs/dbraw/zinc/19/58/50/522195850.db2.gz WKYFZXPWWRVHPX-IBGZPJMESA-N 1 1 369.465 1.683 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCOCC1 ZINC000072169491 522196884 /nfs/dbraw/zinc/19/68/84/522196884.db2.gz FKNXNZDLMXSFAA-IBGZPJMESA-N 1 1 367.449 1.389 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCOCC1 ZINC000072169491 522196893 /nfs/dbraw/zinc/19/68/93/522196893.db2.gz FKNXNZDLMXSFAA-IBGZPJMESA-N 1 1 367.449 1.389 50 0 FDAAMO C[C@@H](C(=O)NC(C)(C)C)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000072293177 522208968 /nfs/dbraw/zinc/20/89/68/522208968.db2.gz KYTRUHXZHSGWQS-HNNXBMFYSA-N 1 1 368.566 1.706 50 0 FDAAMO CCS(=O)(=O)N1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000058218523 522224787 /nfs/dbraw/zinc/22/47/87/522224787.db2.gz UOFROTNTCDTREF-MRXNPFEDSA-N 1 1 353.488 1.220 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000072419380 522248200 /nfs/dbraw/zinc/24/82/00/522248200.db2.gz AUJYHPUFRTWVMZ-HNNXBMFYSA-N 1 1 359.474 1.744 50 0 FDAAMO Cc1nc(CN2CCC3(CN(CC[NH+](C)C)C(=O)O3)CC2)c2ccccn12 ZINC000072422760 522253803 /nfs/dbraw/zinc/25/38/03/522253803.db2.gz MNVBLOHTYUMNIV-UHFFFAOYSA-N 1 1 371.485 1.991 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CN1Cc2ccc(C(=O)N3CCOCC3)cc2C1=O ZINC000072431960 522268482 /nfs/dbraw/zinc/26/84/82/522268482.db2.gz HMOLVRNZAXRBGB-KRWDZBQOSA-N 1 1 357.454 1.599 50 0 FDAAMO CCC1CC[NH+](Cc2cc3n(n2)CCN(C(=O)C2=NNC(=O)CC2)C3)CC1 ZINC000072447140 522280066 /nfs/dbraw/zinc/28/00/66/522280066.db2.gz GVYMDFBJHAHGJS-UHFFFAOYSA-N 1 1 372.473 1.113 50 0 FDAAMO c1n[nH]cc1CCNc1ncnc2c1CCN(C[C@H]1CCC[NH2+]C1)CC2 ZINC000072448594 522283106 /nfs/dbraw/zinc/28/31/06/522283106.db2.gz NYPNIBJXQGTPCO-INIZCTEOSA-N 1 1 355.490 1.255 50 0 FDAAMO c1cn(CCNc2ncnc3c2CC[N@@H+](Cc2ccccn2)CC3)nn1 ZINC000072454291 522284889 /nfs/dbraw/zinc/28/48/89/522284889.db2.gz CBNBCNWSXNDUOA-UHFFFAOYSA-N 1 1 350.430 1.176 50 0 FDAAMO COc1cc(N2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)nc(N)n1 ZINC000072468745 522290621 /nfs/dbraw/zinc/29/06/21/522290621.db2.gz VRVLFDQCVLMDKC-MRXNPFEDSA-N 1 1 357.458 1.183 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)C[C@H]1COCCN1Cc1ccncc1 ZINC000072477027 522300298 /nfs/dbraw/zinc/30/02/98/522300298.db2.gz ZSYQATQYBQVBAV-SFHVURJKSA-N 1 1 357.458 1.336 50 0 FDAAMO CC(C)(O)CCc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000072480133 522306701 /nfs/dbraw/zinc/30/67/01/522306701.db2.gz MNPAJHSPCUPMBX-KRWDZBQOSA-N 1 1 361.486 1.317 50 0 FDAAMO COc1cccc([C@@H](CNS(=O)(=O)c2c(C)noc2C)[NH+](C)C)c1 ZINC000047032916 522429540 /nfs/dbraw/zinc/42/95/40/522429540.db2.gz RWBYSXNUDIJUDT-OAHLLOKOSA-N 1 1 353.444 1.881 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC000075876509 522984388 /nfs/dbraw/zinc/98/43/88/522984388.db2.gz ATUOCUHMHUIQQM-MRXNPFEDSA-N 1 1 359.474 1.965 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 ZINC000075876509 522984404 /nfs/dbraw/zinc/98/44/04/522984404.db2.gz ATUOCUHMHUIQQM-MRXNPFEDSA-N 1 1 359.474 1.965 50 0 FDAAMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc4c(c3)NC(=O)CCS4)C[C@H]21 ZINC000077341137 523300751 /nfs/dbraw/zinc/30/07/51/523300751.db2.gz QXOKBJCKLSCREW-SMDDNHRTSA-N 1 1 367.496 1.446 50 0 FDAAMO [NH3+][C@H](CF)C(=O)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077343708 523303370 /nfs/dbraw/zinc/30/33/70/523303370.db2.gz IXNUTWOYNYOLMQ-OAHLLOKOSA-N 1 1 367.852 1.978 50 0 FDAAMO C[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077453217 523341847 /nfs/dbraw/zinc/34/18/47/523341847.db2.gz POJRKPDHMQMKFN-GFCCVEGCSA-N 1 1 360.439 1.114 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cc(=O)nc2sccn21 ZINC000077504697 523366426 /nfs/dbraw/zinc/36/64/26/523366426.db2.gz SWPONRNJPVMZJV-HNNXBMFYSA-N 1 1 368.462 1.885 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cc(=O)nc2sccn21 ZINC000077504697 523366430 /nfs/dbraw/zinc/36/64/30/523366430.db2.gz SWPONRNJPVMZJV-HNNXBMFYSA-N 1 1 368.462 1.885 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCCn2ccnc2)C1 ZINC000077536305 523376321 /nfs/dbraw/zinc/37/63/21/523376321.db2.gz DDZDIFDBXJJDIZ-FUHWJXTLSA-N 1 1 356.474 1.818 50 0 FDAAMO COc1ccccc1N1CC[NH+](CCN2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000053244628 523381834 /nfs/dbraw/zinc/38/18/34/523381834.db2.gz UEVUOKDPCMGICT-INIZCTEOSA-N 1 1 358.442 1.244 50 0 FDAAMO COC(=O)NCC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082097399 523441828 /nfs/dbraw/zinc/44/18/28/523441828.db2.gz DFHKONUPRFUGDU-UHFFFAOYSA-N 1 1 363.462 1.394 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000055326196 523796572 /nfs/dbraw/zinc/79/65/72/523796572.db2.gz NLUGZMJDNXSKKZ-ZDUSSCGKSA-N 1 1 361.471 1.353 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000055326196 523796575 /nfs/dbraw/zinc/79/65/75/523796575.db2.gz NLUGZMJDNXSKKZ-ZDUSSCGKSA-N 1 1 361.471 1.353 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3ccc4n[nH]nc4c3)cc2C1 ZINC000082107760 524211823 /nfs/dbraw/zinc/21/18/23/524211823.db2.gz WGSVCBFBJZQQBN-UHFFFAOYSA-N 1 1 367.457 1.946 50 0 FDAAMO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3ccc4[nH]nnc4c3)cc2C1 ZINC000082107760 524211830 /nfs/dbraw/zinc/21/18/30/524211830.db2.gz WGSVCBFBJZQQBN-UHFFFAOYSA-N 1 1 367.457 1.946 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3ccc4[nH]nnc4c3)cc2C1 ZINC000082107760 524211840 /nfs/dbraw/zinc/21/18/40/524211840.db2.gz WGSVCBFBJZQQBN-UHFFFAOYSA-N 1 1 367.457 1.946 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000084789079 524332349 /nfs/dbraw/zinc/33/23/49/524332349.db2.gz XTIXRBFWWFLKAT-CVEARBPZSA-N 1 1 360.458 1.902 50 0 FDAAMO COCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC000091327002 524694086 /nfs/dbraw/zinc/69/40/86/524694086.db2.gz DMTVVMLRDCTDLM-LSDHHAIUSA-N 1 1 361.446 1.917 50 0 FDAAMO CN1CC[C@@]2(CN(Cc3nc(C(F)(F)F)no3)CC[N@H+]2C)CCC1=O ZINC000091390852 524697643 /nfs/dbraw/zinc/69/76/43/524697643.db2.gz CIEYYHFGJNJJIB-CQSZACIVSA-N 1 1 361.368 1.217 50 0 FDAAMO CCCn1ncc(CN2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1C ZINC000091391427 524698390 /nfs/dbraw/zinc/69/83/90/524698390.db2.gz CSYVOUCLRIDKLD-HXUWFJFHSA-N 1 1 364.534 1.897 50 0 FDAAMO CCCn1ncc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)c1C ZINC000091391427 524698404 /nfs/dbraw/zinc/69/84/04/524698404.db2.gz CSYVOUCLRIDKLD-HXUWFJFHSA-N 1 1 364.534 1.897 50 0 FDAAMO CCCn1ncc(C[N@H+]2CC[C@@](O)(CN3CCOCC3)C(C)(C)C2)c1C ZINC000091391427 524698415 /nfs/dbraw/zinc/69/84/15/524698415.db2.gz CSYVOUCLRIDKLD-HXUWFJFHSA-N 1 1 364.534 1.897 50 0 FDAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CNC(N)=O)CC2)C1 ZINC000091452100 524705626 /nfs/dbraw/zinc/70/56/26/524705626.db2.gz DHWLGZYFYWJYOO-KRWDZBQOSA-N 1 1 358.486 1.773 50 0 FDAAMO COc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)ccn1 ZINC000091475079 524709834 /nfs/dbraw/zinc/70/98/34/524709834.db2.gz TXXGRFDCGAUDHH-GOEBONIOSA-N 1 1 355.442 1.858 50 0 FDAAMO COc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)ccn1 ZINC000091475079 524709842 /nfs/dbraw/zinc/70/98/42/524709842.db2.gz TXXGRFDCGAUDHH-GOEBONIOSA-N 1 1 355.442 1.858 50 0 FDAAMO CN(C)c1ccc(NC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091505463 524719227 /nfs/dbraw/zinc/71/92/27/524719227.db2.gz YNNUIRQPXAPMBW-FQEVSTJZSA-N 1 1 373.501 1.913 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc3nccnc3c1)CC2 ZINC000091643750 524750847 /nfs/dbraw/zinc/75/08/47/524750847.db2.gz IYZUWNXUKNFIBT-UHFFFAOYSA-N 1 1 362.437 1.972 50 0 FDAAMO Cc1cnn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)c1 ZINC000091650196 524753283 /nfs/dbraw/zinc/75/32/83/524753283.db2.gz BCTNAFMUADPLMV-UHFFFAOYSA-N 1 1 370.501 1.947 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)NCCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091679557 524760351 /nfs/dbraw/zinc/76/03/51/524760351.db2.gz VJFCJCOJQMMLEX-NRFANRHFSA-N 1 1 372.513 1.957 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(F)c1 ZINC000091695763 524763685 /nfs/dbraw/zinc/76/36/85/524763685.db2.gz WQQRSEBWIPJLCO-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c(F)c1 ZINC000091695763 524763693 /nfs/dbraw/zinc/76/36/93/524763693.db2.gz WQQRSEBWIPJLCO-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c(F)c1 ZINC000091695763 524763708 /nfs/dbraw/zinc/76/37/08/524763708.db2.gz WQQRSEBWIPJLCO-IAGOWNOFSA-N 1 1 363.477 1.452 50 0 FDAAMO Cc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000091860952 524803494 /nfs/dbraw/zinc/80/34/94/524803494.db2.gz AEVRVLIXTZMVKR-JKSUJKDBSA-N 1 1 369.469 1.267 50 0 FDAAMO Cc1nc2ccccn2c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000091860952 524803502 /nfs/dbraw/zinc/80/35/02/524803502.db2.gz AEVRVLIXTZMVKR-JKSUJKDBSA-N 1 1 369.469 1.267 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)NCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091915268 524812158 /nfs/dbraw/zinc/81/21/58/524812158.db2.gz VXQSYRGBBCMFOI-FQEVSTJZSA-N 1 1 358.486 1.915 50 0 FDAAMO O=C(c1cccc(OC(F)F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091965868 524820333 /nfs/dbraw/zinc/82/03/33/524820333.db2.gz OSLWQAYAVVTCLH-HUUCEWRRSA-N 1 1 370.396 1.301 50 0 FDAAMO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(CO)o3)C2)CN1CCc1c[nH]cn1 ZINC000092077168 524844348 /nfs/dbraw/zinc/84/43/48/524844348.db2.gz UEAPPPXAOSZFCB-FQEVSTJZSA-N 1 1 372.469 1.942 50 0 FDAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(CO)o3)C2)CN1CCc1cnc[nH]1 ZINC000092077168 524844360 /nfs/dbraw/zinc/84/43/60/524844360.db2.gz UEAPPPXAOSZFCB-FQEVSTJZSA-N 1 1 372.469 1.942 50 0 FDAAMO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(CO)o3)C2)CN1CCc1cnc[nH]1 ZINC000092077168 524844371 /nfs/dbraw/zinc/84/43/71/524844371.db2.gz UEAPPPXAOSZFCB-FQEVSTJZSA-N 1 1 372.469 1.942 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000095362108 525037003 /nfs/dbraw/zinc/03/70/03/525037003.db2.gz HFFAFUPDVVINAN-LJQANCHMSA-N 1 1 371.481 1.141 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000095362108 525037017 /nfs/dbraw/zinc/03/70/17/525037017.db2.gz HFFAFUPDVVINAN-LJQANCHMSA-N 1 1 371.481 1.141 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)Cn3ncc4ccccc43)CC[N@H+]2C)CCC1=O ZINC000095365701 525039704 /nfs/dbraw/zinc/03/97/04/525039704.db2.gz IYFGSONIRCMPQH-FQEVSTJZSA-N 1 1 369.469 1.191 50 0 FDAAMO COCCn1c2ccc(C(=O)OC)cc2n(Cc2[nH+]ccn2C2CC2)c1=O ZINC000095372800 525046351 /nfs/dbraw/zinc/04/63/51/525046351.db2.gz SCZWNDXOHMNKCQ-UHFFFAOYSA-N 1 1 370.409 1.816 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)CC2)no1 ZINC000095378813 525051748 /nfs/dbraw/zinc/05/17/48/525051748.db2.gz IRGTUMYEGGXKPM-OAHLLOKOSA-N 1 1 369.469 1.469 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1C ZINC000095379572 525052498 /nfs/dbraw/zinc/05/24/98/525052498.db2.gz IXMVIKQUKMLQCX-CQSZACIVSA-N 1 1 353.430 1.716 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)CCCc3cccs3)C[C@@H]2CO)CC1 ZINC000095382109 525053729 /nfs/dbraw/zinc/05/37/29/525053729.db2.gz UZWQHCPNQCCEKA-IAGOWNOFSA-N 1 1 365.543 1.385 50 0 FDAAMO Cc1nnsc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095387462 525060799 /nfs/dbraw/zinc/06/07/99/525060799.db2.gz GVGBWNDFIFOAAR-CYBMUJFWSA-N 1 1 358.475 1.599 50 0 FDAAMO CCc1nnc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)o1 ZINC000095390651 525062086 /nfs/dbraw/zinc/06/20/86/525062086.db2.gz FMTQFJYSVJTOMO-IBGZPJMESA-N 1 1 361.490 1.541 50 0 FDAAMO CCC(CC)[C@@H](C(=O)NCCCOC[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000095401914 525068180 /nfs/dbraw/zinc/06/81/80/525068180.db2.gz OFFLDQVGDJOBDP-WMZOPIPTSA-N 1 1 356.507 1.683 50 0 FDAAMO Cc1nn(CC(C)C)c(Cl)c1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000095468605 525074516 /nfs/dbraw/zinc/07/45/16/525074516.db2.gz ZVHZDIPLVXNISJ-UHFFFAOYSA-N 1 1 353.854 1.675 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000095500331 525082580 /nfs/dbraw/zinc/08/25/80/525082580.db2.gz BJKMIANTHNDGAD-NDIJEHHESA-N 1 1 359.445 1.850 50 0 FDAAMO CN(C)C(=O)CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000095500331 525082585 /nfs/dbraw/zinc/08/25/85/525082585.db2.gz BJKMIANTHNDGAD-NDIJEHHESA-N 1 1 359.445 1.850 50 0 FDAAMO O=C(Cc1ccc(CO)cc1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095511263 525094017 /nfs/dbraw/zinc/09/40/17/525094017.db2.gz WLFJFXBYYCXDII-HXUWFJFHSA-N 1 1 354.450 1.427 50 0 FDAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CNC(=O)N(C)C)C1 ZINC000095516613 525095392 /nfs/dbraw/zinc/09/53/92/525095392.db2.gz WOJDTMFKKRQIGU-GOSISDBHSA-N 1 1 374.529 1.979 50 0 FDAAMO Cn1nc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c2c1CCCC2 ZINC000095512376 525095821 /nfs/dbraw/zinc/09/58/21/525095821.db2.gz AWNFSXHSFAJXDC-HXUWFJFHSA-N 1 1 373.501 1.068 50 0 FDAAMO CN1CC2(CCN(C(=O)[C@@H](c3cccnc3)[NH+]3CCCC3)CC2)OC1=O ZINC000095519893 525097519 /nfs/dbraw/zinc/09/75/19/525097519.db2.gz GQRXZRQABXIKMF-MRXNPFEDSA-N 1 1 358.442 1.662 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)CC1 ZINC000095521344 525099113 /nfs/dbraw/zinc/09/91/13/525099113.db2.gz XFWOEMIPHKSFRF-INIZCTEOSA-N 1 1 370.453 1.804 50 0 FDAAMO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCCOCC2)ccc1OC ZINC000095524110 525100797 /nfs/dbraw/zinc/10/07/97/525100797.db2.gz JPQVFSNDKRMQHB-SFHVURJKSA-N 1 1 366.502 1.999 50 0 FDAAMO CNC(=O)c1ccc(Cl)c(NC(=O)N2CC[NH+](CCOC)CC2)c1 ZINC000095529566 525104794 /nfs/dbraw/zinc/10/47/94/525104794.db2.gz VFGWMIBMFAWHLW-UHFFFAOYSA-N 1 1 354.838 1.496 50 0 FDAAMO C[N@H+]1CCC[C@H](c2nc(Cn3cncn3)nn2CCc2ccccc2)C1 ZINC000095529400 525106017 /nfs/dbraw/zinc/10/60/17/525106017.db2.gz ROUJPQYAAYETCU-KRWDZBQOSA-N 1 1 351.458 1.970 50 0 FDAAMO O=C(c1scnc1Br)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000095993027 525114280 /nfs/dbraw/zinc/11/42/80/525114280.db2.gz KUUKAZDTTJKNEL-JTQLQIEISA-N 1 1 360.277 1.700 50 0 FDAAMO COCCCS(=O)(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096006756 525120471 /nfs/dbraw/zinc/12/04/71/525120471.db2.gz VHHHLJNUGVJXKK-QGZVFWFLSA-N 1 1 356.488 1.099 50 0 FDAAMO COc1cccc(CN(C)C(=O)CN2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000084331658 525907152 /nfs/dbraw/zinc/90/71/52/525907152.db2.gz RZLOMBUVABQKGF-UHFFFAOYSA-N 1 1 357.458 1.209 50 0 FDAAMO Cc1nnsc1C[N@@H+]1C[C@H](NC(=O)C2CCOCC2)[C@@H](C(C)C)C1 ZINC000091625945 526447285 /nfs/dbraw/zinc/44/72/85/526447285.db2.gz SGSHZQDRJJWSIL-CABCVRRESA-N 1 1 352.504 1.846 50 0 FDAAMO Cc1nnsc1C[N@H+]1C[C@H](NC(=O)C2CCOCC2)[C@@H](C(C)C)C1 ZINC000091625945 526447292 /nfs/dbraw/zinc/44/72/92/526447292.db2.gz SGSHZQDRJJWSIL-CABCVRRESA-N 1 1 352.504 1.846 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CN1CCOCC1)C2 ZINC000091625751 526505417 /nfs/dbraw/zinc/50/54/17/526505417.db2.gz CHLCVBYLOYHWBK-DLBZAZTESA-N 1 1 362.474 1.046 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)C1 ZINC000091288542 526882984 /nfs/dbraw/zinc/88/29/84/526882984.db2.gz TXDLFRSRLMHCBI-GFCCVEGCSA-N 1 1 359.348 1.399 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@H](c2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 ZINC000091677949 526883032 /nfs/dbraw/zinc/88/30/32/526883032.db2.gz CFIMRHVNMBXBKQ-NSHDSACASA-N 1 1 369.347 1.831 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](c2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 ZINC000091677949 526883035 /nfs/dbraw/zinc/88/30/35/526883035.db2.gz CFIMRHVNMBXBKQ-NSHDSACASA-N 1 1 369.347 1.831 50 0 FDAAMO O=c1cc(C[N@H+]2CCC[C@H](c3nccn3Cc3ccccc3)C2)[nH]c(=O)[nH]1 ZINC000082170577 527476016 /nfs/dbraw/zinc/47/60/16/527476016.db2.gz UHKCIEHOXKAKFX-INIZCTEOSA-N 1 1 365.437 1.688 50 0 FDAAMO CCNC(=O)c1ccnc(N2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)c1 ZINC000106946073 535450575 /nfs/dbraw/zinc/45/05/75/535450575.db2.gz IWMKNFUMRJONDN-KRWDZBQOSA-N 1 1 372.469 1.806 50 0 FDAAMO CCNC(=O)c1ccnc(N2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)c1 ZINC000106946073 535450576 /nfs/dbraw/zinc/45/05/76/535450576.db2.gz IWMKNFUMRJONDN-KRWDZBQOSA-N 1 1 372.469 1.806 50 0 FDAAMO CCNc1cc(N2CCN(C(=O)COc3nccc(C)n3)CC2)[nH+]c(C)n1 ZINC000072446758 535522634 /nfs/dbraw/zinc/52/26/34/535522634.db2.gz AROCOFABRQXKPS-UHFFFAOYSA-N 1 1 371.445 1.043 50 0 FDAAMO CC[NH+]1CCN(C(=O)C2CCN(Cc3nc4ccccc4n3C)CC2)CC1 ZINC000247720683 537146230 /nfs/dbraw/zinc/14/62/30/537146230.db2.gz AJJXJICIDYBRRG-UHFFFAOYSA-N 1 1 369.513 1.949 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1O ZINC000247962287 537159651 /nfs/dbraw/zinc/15/96/51/537159651.db2.gz RAWGDJHFEWGEEX-ZACQAIPSSA-N 1 1 362.470 1.852 50 0 FDAAMO CC(C)c1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000252494107 537250115 /nfs/dbraw/zinc/25/01/15/537250115.db2.gz NKZSTODVONOKOE-QGZVFWFLSA-N 1 1 372.469 1.993 50 0 FDAAMO Cc1cccc(OCC(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)c1 ZINC000257191336 537252594 /nfs/dbraw/zinc/25/25/94/537252594.db2.gz PYPQEHGWWHJUAW-QFBILLFUSA-N 1 1 355.438 1.378 50 0 FDAAMO Cc1cccc(OCC(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CO)c1 ZINC000257191336 537252595 /nfs/dbraw/zinc/25/25/95/537252595.db2.gz PYPQEHGWWHJUAW-QFBILLFUSA-N 1 1 355.438 1.378 50 0 FDAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000216206018 537446444 /nfs/dbraw/zinc/44/64/44/537446444.db2.gz SYGQJEXKGJBFOF-ZDUSSCGKSA-N 1 1 357.414 1.170 50 0 FDAAMO Cc1cnc2c(Cl)c(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)nn2c1 ZINC000216520638 537450537 /nfs/dbraw/zinc/45/05/37/537450537.db2.gz JEVRPTNCIFYHOA-GFCCVEGCSA-N 1 1 351.838 1.268 50 0 FDAAMO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CC[N@@H+](C1CSCCSC1)C2 ZINC000218784650 537466637 /nfs/dbraw/zinc/46/66/37/537466637.db2.gz NUKNAURCEDCLFL-OAHLLOKOSA-N 1 1 370.544 1.059 50 0 FDAAMO CN(C)C(=O)C[C@@H](O)c1cc2n(n1)CC[N@H+](C1CSCCSC1)C2 ZINC000218784650 537466643 /nfs/dbraw/zinc/46/66/43/537466643.db2.gz NUKNAURCEDCLFL-OAHLLOKOSA-N 1 1 370.544 1.059 50 0 FDAAMO O=C(CC1=CSC2=NCCN12)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000223206200 537521232 /nfs/dbraw/zinc/52/12/32/537521232.db2.gz SAUWCQNJAOIMDG-HNNXBMFYSA-N 1 1 357.483 1.812 50 0 FDAAMO O=C(CC1=CSC2=NCCN12)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000223206200 537521239 /nfs/dbraw/zinc/52/12/39/537521239.db2.gz SAUWCQNJAOIMDG-HNNXBMFYSA-N 1 1 357.483 1.812 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)CC1 ZINC000223775991 537534575 /nfs/dbraw/zinc/53/45/75/537534575.db2.gz USPPGJLKTBSHRZ-MOPGFXCFSA-N 1 1 361.486 1.114 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000241317044 537647187 /nfs/dbraw/zinc/64/71/87/537647187.db2.gz LXHPSKZPQUGEGB-INIZCTEOSA-N 1 1 359.470 1.941 50 0 FDAAMO CC(C)Oc1ccc(OCC[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000244595085 537648160 /nfs/dbraw/zinc/64/81/60/537648160.db2.gz DOIUAOKUYHNFRF-OALUTQOASA-N 1 1 350.459 1.230 50 0 FDAAMO O=S(=O)(N1CCCCC1)N1CCC[N@@H+](CCCc2cccnc2)CC1 ZINC000244626646 537648339 /nfs/dbraw/zinc/64/83/39/537648339.db2.gz FPTRSCREDXROGY-UHFFFAOYSA-N 1 1 366.531 1.753 50 0 FDAAMO CN(CC1(CO)CCOCC1)C(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000244633741 537649130 /nfs/dbraw/zinc/64/91/30/537649130.db2.gz GIVILWSEYQASTN-QGZVFWFLSA-N 1 1 364.442 1.266 50 0 FDAAMO Cc1cc(C)cc(CNC(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1 ZINC000426651179 538426013 /nfs/dbraw/zinc/42/60/13/538426013.db2.gz BYDVTOCDMLSCMU-UHFFFAOYSA-N 1 1 358.486 1.799 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)NCCN2Cc3cc(Cl)ccc3OCC2=O)C1 ZINC000575615382 550466711 /nfs/dbraw/zinc/46/67/11/550466711.db2.gz DPRYXRQYWGRYKN-CYBMUJFWSA-N 1 1 365.861 1.519 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000584890048 551565493 /nfs/dbraw/zinc/56/54/93/551565493.db2.gz JHEOERQKKNLKQI-GJZGRUSLSA-N 1 1 359.430 1.597 50 0 FDAAMO CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000584888731 551565536 /nfs/dbraw/zinc/56/55/36/551565536.db2.gz JOXINTLDANBOEN-INIZCTEOSA-N 1 1 352.454 1.184 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-c3nc(C)nn3C)cc2)C1 ZINC000584895065 551565993 /nfs/dbraw/zinc/56/59/93/551565993.db2.gz CYIBIMLHEHMXFQ-INIZCTEOSA-N 1 1 371.485 1.879 50 0 FDAAMO CCCn1ncnc1-c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000584893628 551566026 /nfs/dbraw/zinc/56/60/26/551566026.db2.gz LAHVPMADVNVIFR-GOSISDBHSA-N 1 1 371.485 1.932 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@@H](c2ccccc2)C1 ZINC000048276339 570942072 /nfs/dbraw/zinc/94/20/72/570942072.db2.gz ITXJGLBSXMLBMY-QGZVFWFLSA-N 1 1 356.426 1.594 50 0 FDAAMO C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@@H](c2ccccc2)C1 ZINC000048276339 570942077 /nfs/dbraw/zinc/94/20/77/570942077.db2.gz ITXJGLBSXMLBMY-QGZVFWFLSA-N 1 1 356.426 1.594 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000048310153 570943744 /nfs/dbraw/zinc/94/37/44/570943744.db2.gz OJFZSMAPWUWKCC-OXQOHEQNSA-N 1 1 370.453 1.890 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)C1=O ZINC000048310153 570943748 /nfs/dbraw/zinc/94/37/48/570943748.db2.gz OJFZSMAPWUWKCC-OXQOHEQNSA-N 1 1 370.453 1.890 50 0 FDAAMO Cc1cccc(=O)n1CCCNC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000670470908 571044176 /nfs/dbraw/zinc/04/41/76/571044176.db2.gz LPSMVDXEBUSMAY-UHFFFAOYSA-N 1 1 362.474 1.053 50 0 FDAAMO O=C(CN1CC[NH+](CCN2CCCc3ccccc32)CC1)N1CCCC1 ZINC000084581961 571090288 /nfs/dbraw/zinc/09/02/88/571090288.db2.gz RJYBVTJASJZOAM-UHFFFAOYSA-N 1 1 356.514 1.679 50 0 FDAAMO Cc1cccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)c1C ZINC000244795698 571117501 /nfs/dbraw/zinc/11/75/01/571117501.db2.gz RLYRQMYFXHHYPH-RTBURBONSA-N 1 1 369.465 1.829 50 0 FDAAMO Cc1cccc(OCC(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)c1C ZINC000244795698 571117503 /nfs/dbraw/zinc/11/75/03/571117503.db2.gz RLYRQMYFXHHYPH-RTBURBONSA-N 1 1 369.465 1.829 50 0 FDAAMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCc2[nH][nH]c(=O)c2CC1 ZINC000252483241 571131787 /nfs/dbraw/zinc/13/17/87/571131787.db2.gz DXXLSHRPAPKSKQ-GOSISDBHSA-N 1 1 354.454 1.685 50 0 FDAAMO CSc1ccc(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cc1 ZINC000426472968 571134859 /nfs/dbraw/zinc/13/48/59/571134859.db2.gz QEZCQYKMZWFNHL-CQSZACIVSA-N 1 1 372.494 2.495 50 0 FDAAMO COc1cccc(-n2cc(CNc3cc([C@@H]4CCOC4)[nH+]c(N)n3)cn2)c1 ZINC000426635295 571135400 /nfs/dbraw/zinc/13/54/00/571135400.db2.gz IQBWJAFODMCGIY-CQSZACIVSA-N 1 1 366.425 1.791 50 0 FDAAMO Nc1nc([C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)cc(=O)[nH]1 ZINC000253534852 571136522 /nfs/dbraw/zinc/13/65/22/571136522.db2.gz LIWUXUZBUNDNOX-UXLLHSPISA-N 1 1 367.453 1.791 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3[nH]nc(N)c3Cl)cc2C1 ZINC000426493174 571136734 /nfs/dbraw/zinc/13/67/34/571136734.db2.gz LOUOBKVQCYJJFD-UHFFFAOYSA-N 1 1 351.842 1.388 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCn2ccc(=O)[nH]c2=O)C1 ZINC000253536676 571137877 /nfs/dbraw/zinc/13/78/77/571137877.db2.gz KHQILGYEPAXAOB-MRXNPFEDSA-N 1 1 370.453 1.286 50 0 FDAAMO CC[C@@]1(C(N)=O)CCC[N@@H+](Cc2cc(=O)c3cc(C(N)=O)ccc3[nH]2)C1 ZINC000253537049 571137882 /nfs/dbraw/zinc/13/78/82/571137882.db2.gz VUHJPDCSATZQDS-LJQANCHMSA-N 1 1 356.426 1.517 50 0 FDAAMO O=C(CCc1cc2n(n1)CCC[N@H+](C1Cc3ccccc3C1)C2)NCCO ZINC000091986019 571197626 /nfs/dbraw/zinc/19/76/26/571197626.db2.gz OUVHGUDKRBZZRJ-UHFFFAOYSA-N 1 1 368.481 1.297 50 0 FDAAMO CN(Cc1nncn1C)C(=O)NCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000426429842 571224638 /nfs/dbraw/zinc/22/46/38/571224638.db2.gz QRBNSLFIDPWMCZ-KRWDZBQOSA-N 1 1 356.474 1.836 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(O)cc3F)cc2)CC1 ZINC000426470706 571226845 /nfs/dbraw/zinc/22/68/45/571226845.db2.gz PVFFLCWMVDYHGI-UHFFFAOYSA-N 1 1 371.412 1.878 50 0 FDAAMO COc1ccc(C(=O)N2CCN(C(=O)NCC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000426489478 571227987 /nfs/dbraw/zinc/22/79/87/571227987.db2.gz CMIRBDBQZSYJQE-QGZVFWFLSA-N 1 1 374.485 1.647 50 0 FDAAMO CCN(Cc1noc(C2CC2)n1)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000670437742 571347338 /nfs/dbraw/zinc/34/73/38/571347338.db2.gz RCJYMDJUJCDPDW-OKILXGFUSA-N 1 1 365.478 1.978 50 0 FDAAMO CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000014960532 670627037 /nfs/dbraw/zinc/62/70/37/670627037.db2.gz KILNMZQPEXNVRR-CYBMUJFWSA-N 1 1 361.895 1.654 50 0 FDAAMO CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000014960532 670627040 /nfs/dbraw/zinc/62/70/40/670627040.db2.gz KILNMZQPEXNVRR-CYBMUJFWSA-N 1 1 361.895 1.654 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccs2)CC3)CC1 ZINC000169792610 672042965 /nfs/dbraw/zinc/04/29/65/672042965.db2.gz PRGOEJCMRHRWNO-UHFFFAOYSA-N 1 1 359.499 1.184 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccs2)CC3)CC1 ZINC000169792610 672042967 /nfs/dbraw/zinc/04/29/67/672042967.db2.gz PRGOEJCMRHRWNO-UHFFFAOYSA-N 1 1 359.499 1.184 50 0 FDAAMO Cc1nc(CC[N@@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1 ZINC000252479560 672593627 /nfs/dbraw/zinc/59/36/27/672593627.db2.gz BHNPWPWIOOYMIN-UHFFFAOYSA-N 1 1 358.533 1.342 50 0 FDAAMO Cc1nc(CC[N@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)cs1 ZINC000252479560 672593629 /nfs/dbraw/zinc/59/36/29/672593629.db2.gz BHNPWPWIOOYMIN-UHFFFAOYSA-N 1 1 358.533 1.342 50 0 FDAAMO Cc1cnn(CCC(=O)N2C[C@@H]3C[N@H+](C4CCCC4)CC[C@]3(CO)C2)c1 ZINC000257174945 793806800 /nfs/dbraw/zinc/80/68/00/793806800.db2.gz MEYOWIIFSOLJRK-FXAWDEMLSA-N 1 1 360.502 1.667 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)cc1 ZINC000257196597 794060979 /nfs/dbraw/zinc/06/09/79/794060979.db2.gz YNHOXERXXFJGER-PKOBYXMFSA-N 1 1 355.438 1.703 50 0 FDAAMO Cc1cc(C[N@H+]2CCC[C@@H](c3cc4n(n3)CCCN(C)C4=O)C2)n(C)n1 ZINC000675009079 795199565 /nfs/dbraw/zinc/19/95/65/795199565.db2.gz FJEHZIUUKOQVAN-OAHLLOKOSA-N 1 1 356.474 1.780 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCCC1)CCN(C(=O)c1cscn1)CC2 ZINC000675011971 795213636 /nfs/dbraw/zinc/21/36/36/795213636.db2.gz XFTKZCVSCVTMAW-HNNXBMFYSA-N 1 1 362.499 1.692 50 0 FDAAMO CC[N@@H+](CCNC(=O)[C@H]1CCCCC2N=NC(=O)N21)Cc1ccccc1 ZINC000675012820 795215648 /nfs/dbraw/zinc/21/56/48/795215648.db2.gz UAVNIDBVBCLDKA-MRXNPFEDSA-N 1 1 357.458 1.890 50 0 FDAAMO Cc1nnc([C@@H]2CC[N@H+](CCc3cccnc3)CCN2C(=O)C(C)C)[nH]1 ZINC000675013057 795216020 /nfs/dbraw/zinc/21/60/20/795216020.db2.gz HBMXFHCCFGLBOK-KRWDZBQOSA-N 1 1 356.474 1.982 50 0 FDAAMO O=C(c1cccnc1)N1CCc2nc[nH]c2[C@H]1C1CC[NH+](CCCO)CC1 ZINC000675012979 795216224 /nfs/dbraw/zinc/21/62/24/795216224.db2.gz VYSZXNLNCPHOOZ-LJQANCHMSA-N 1 1 369.469 1.639 50 0 FDAAMO CS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@]2(CO)C1 ZINC000675021311 795241190 /nfs/dbraw/zinc/24/11/90/795241190.db2.gz MSLOCOMPWCMPEF-ZBFHGGJFSA-N 1 1 358.891 1.416 50 0 FDAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@]2(CO)C1 ZINC000675021311 795241193 /nfs/dbraw/zinc/24/11/93/795241193.db2.gz MSLOCOMPWCMPEF-ZBFHGGJFSA-N 1 1 358.891 1.416 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](CCCc1ccccc1)CC2 ZINC000675022327 795250141 /nfs/dbraw/zinc/25/01/41/795250141.db2.gz XHYWLIXXBOMXAS-MOPGFXCFSA-N 1 1 366.527 1.849 50 0 FDAAMO C[NH+](C)CCNC(=O)[C@H]1C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1c1cccc(F)c1F ZINC000067604275 835237839 /nfs/dbraw/zinc/23/78/39/835237839.db2.gz PXPQJTHLUBHQSW-WHOFXGATSA-N 1 1 355.385 1.089 50 0 FDAAMO CC[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000810043921 845648316 /nfs/dbraw/zinc/64/83/16/845648316.db2.gz UKVGBMRWZHXKJQ-MRXNPFEDSA-N 1 1 361.490 1.405 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCc3nc(N4CCN(C)CC4)[nH]c(=O)c3CC2)c1 ZINC000169755939 855149777 /nfs/dbraw/zinc/14/97/77/855149777.db2.gz IGXXBFKIEIYSEL-UHFFFAOYSA-N 1 1 367.497 1.431 50 0 FDAAMO Cc1cccc(C[N@H+]2CCc3nc(N4CCN(C)CC4)[nH]c(=O)c3CC2)c1 ZINC000169755939 855149787 /nfs/dbraw/zinc/14/97/87/855149787.db2.gz IGXXBFKIEIYSEL-UHFFFAOYSA-N 1 1 367.497 1.431 50 0 FDAAMO Cc1ccccc1C[N@@H+]1CCc2nc(N3CCN(C)CC3)[nH]c(=O)c2CC1 ZINC000169755935 864487466 /nfs/dbraw/zinc/48/74/66/864487466.db2.gz BUFGTVPYGJFEDU-UHFFFAOYSA-N 1 1 367.497 1.431 50 0 FDAAMO Cc1ccccc1C[N@H+]1CCc2nc(N3CCN(C)CC3)[nH]c(=O)c2CC1 ZINC000169755935 864487472 /nfs/dbraw/zinc/48/74/72/864487472.db2.gz BUFGTVPYGJFEDU-UHFFFAOYSA-N 1 1 367.497 1.431 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000257194473 864761766 /nfs/dbraw/zinc/76/17/66/864761766.db2.gz UCWBGWSGOGXQDC-MOPGFXCFSA-N 1 1 373.497 1.182 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000012433324 881959096 /nfs/dbraw/zinc/95/90/96/881959096.db2.gz QKBAMYFXFRMDHM-CYBMUJFWSA-N 1 1 352.402 1.236 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000012433324 881959103 /nfs/dbraw/zinc/95/91/03/881959103.db2.gz QKBAMYFXFRMDHM-CYBMUJFWSA-N 1 1 352.402 1.236 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)N[C@@H]3CCC[N@@H+](C4CCN(C)CC4)C3)cc2n1 ZINC000012056898 873530336 /nfs/dbraw/zinc/53/03/36/873530336.db2.gz PTMHDYYQYKUEHO-MRXNPFEDSA-N 1 1 370.501 1.635 50 0 FDAAMO CCOc1ccc2nc(C[N@H+]3CC[C@@H](N4CCOCC4)[C@H](O)C3)ccc2c1 ZINC000011820663 893801230 /nfs/dbraw/zinc/80/12/30/893801230.db2.gz IMCZSMSEKUBACK-NHCUHLMSSA-N 1 1 371.481 1.901 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)C1 ZINC000823769823 922047415 /nfs/dbraw/zinc/04/74/15/922047415.db2.gz FROJEYSSERUCGY-OAHLLOKOSA-N 1 1 361.442 1.205 50 0 FDAAMO C[C@H](c1nc(CC(N)=O)nn1-c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000826842483 924329602 /nfs/dbraw/zinc/32/96/02/924329602.db2.gz WGCPYPQGIUMFQX-CYBMUJFWSA-N 1 1 371.441 1.961 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)CN(Cc1ccco1)CCO2 ZINC000827921427 924776468 /nfs/dbraw/zinc/77/64/68/924776468.db2.gz WTXPWDGYQMQITG-UHFFFAOYSA-N 1 1 358.442 1.678 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1)n1cnnn1 ZINC000828052176 924810288 /nfs/dbraw/zinc/81/02/88/924810288.db2.gz IDAQNIWHFOLWMC-ZDUSSCGKSA-N 1 1 357.418 1.297 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000952860345 960186571 /nfs/dbraw/zinc/18/65/71/960186571.db2.gz MVQVBPOXTQXXOY-VQIMIIECSA-N 1 1 370.428 1.624 50 0 FDAAMO Cc1cc(N2CCN(C(=O)[C@H]3C=CC[NH2+]3)CC2)nc(-c2ccccc2O)n1 ZINC000952963968 960246323 /nfs/dbraw/zinc/24/63/23/960246323.db2.gz LTDYDRBGEQDXJG-MRXNPFEDSA-N 1 1 365.437 1.334 50 0 FDAAMO CC(C)(CC1Cc2ccccc2C1)NC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952971352 960265067 /nfs/dbraw/zinc/26/50/67/960265067.db2.gz NXRSPMIYQBAEKI-SFHVURJKSA-N 1 1 357.498 1.884 50 0 FDAAMO Cn1nc(CNC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c2c1cccc2Cl ZINC000952973986 960268634 /nfs/dbraw/zinc/26/86/34/960268634.db2.gz NALKASPLRWQTGF-NSHDSACASA-N 1 1 363.849 1.040 50 0 FDAAMO CCCCN(C)S(=O)(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192938701 178139237 /nfs/dbraw/zinc/13/92/37/178139237.db2.gz LFSQXZUPMKQTCT-QGZVFWFLSA-N 1 1 354.520 1.812 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000229704011 210176365 /nfs/dbraw/zinc/17/63/65/210176365.db2.gz RSAHQCVBANQQRC-UONOGXRCSA-N 1 1 352.479 1.382 50 0 FDAAMO Cc1cc(=O)n(CC(=O)NCC[N@H+]2CCCC[C@@H]2CO)c2ccccc12 ZINC000299803037 210042170 /nfs/dbraw/zinc/04/21/70/210042170.db2.gz UWCSIHDQWBOGEW-MRXNPFEDSA-N 1 1 357.454 1.273 50 0 FDAAMO COc1ccc(F)c(F)c1C(=O)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000299795850 210035273 /nfs/dbraw/zinc/03/52/73/210035273.db2.gz MWXNDNOXBIMYHV-UHFFFAOYSA-N 1 1 367.396 1.446 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ccncc3)c2)C1 ZINC000299781641 210025220 /nfs/dbraw/zinc/02/52/20/210025220.db2.gz UQVJSVOZVFOMAX-GOSISDBHSA-N 1 1 352.438 1.676 50 0 FDAAMO CCc1c(-c2cccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)c2)cnn1C ZINC000299779328 210023053 /nfs/dbraw/zinc/02/30/53/210023053.db2.gz QXRKMUYJJZHMFJ-UHFFFAOYSA-N 1 1 369.469 1.329 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)NCc1cc2n(n1)CCN(C(=O)C1CCC1)C2 ZINC000299779652 210022950 /nfs/dbraw/zinc/02/29/50/210022950.db2.gz KPRAFSLVQUGHNG-UHFFFAOYSA-N 1 1 370.457 1.237 50 0 FDAAMO O=C(CC[N@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12)N1CCc2ccccc2C1 ZINC000299772269 210018375 /nfs/dbraw/zinc/01/83/75/210018375.db2.gz UNIGMDHTMBBIQC-OALUTQOASA-N 1 1 367.453 1.399 50 0 FDAAMO CN1CCN(C(=O)c2cccc(NC(=O)NCC[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000299757315 210008438 /nfs/dbraw/zinc/00/84/38/210008438.db2.gz LFWKCBSFTPWDBM-GOSISDBHSA-N 1 1 373.501 1.680 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)c1nccnc1C(=O)N1CCCCC1 ZINC000299760355 210010424 /nfs/dbraw/zinc/01/04/24/210010424.db2.gz FUQLECXUMQETFN-UHFFFAOYSA-N 1 1 356.430 1.292 50 0 FDAAMO O=C(NCC1(C[NH+]2CCOCC2)CC1)N1CC[C@H](Oc2ccccc2)C1 ZINC000534583340 540384906 /nfs/dbraw/zinc/38/49/06/540384906.db2.gz PWVZWKPYQHLIKC-SFHVURJKSA-N 1 1 359.470 1.962 50 0 FDAAMO CCCN(Cc1nccn1C)C(=O)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000534633006 540392075 /nfs/dbraw/zinc/39/20/75/540392075.db2.gz SPDVSCVZUGGTLY-UHFFFAOYSA-N 1 1 363.506 1.987 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N[C@@H]3COCC[C@H]3OC)cc2C1 ZINC000534634940 540392679 /nfs/dbraw/zinc/39/26/79/540392679.db2.gz DYEWILNXKUZIES-IAGOWNOFSA-N 1 1 365.478 1.102 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)c1ccc(-c2cc(N)nc(N)n2)cc1 ZINC000534640122 540393746 /nfs/dbraw/zinc/39/37/46/540393746.db2.gz AJUVGVFSOTYLHU-UHFFFAOYSA-N 1 1 365.441 1.548 50 0 FDAAMO CC[C@H](CNC(=O)N1CC(Oc2ccc(F)cc2)C1)[NH+]1CCN(C)CC1 ZINC000534672471 540398759 /nfs/dbraw/zinc/39/87/59/540398759.db2.gz DPOQAFOSEYRALW-MRXNPFEDSA-N 1 1 364.465 1.624 50 0 FDAAMO COc1ccc(CCNC(=O)Cn2c[nH+]c3cc(N)ccc32)cc1OC ZINC000061719282 212024822 /nfs/dbraw/zinc/02/48/22/212024822.db2.gz RKQZLAKUQOFSIW-UHFFFAOYSA-N 1 1 354.410 1.995 50 0 FDAAMO O=C(CSc1nnnn1C1CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012882647 220038660 /nfs/dbraw/zinc/03/86/60/220038660.db2.gz BDHMWHKQPDSUGE-AWEZNQCLSA-N 1 1 358.471 1.491 50 0 FDAAMO CC(C)[N@H+]1CC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000055270437 211942208 /nfs/dbraw/zinc/94/22/08/211942208.db2.gz DKUIVQNJLFCWAB-CYBMUJFWSA-N 1 1 373.906 1.465 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1C ZINC000024924622 211417630 /nfs/dbraw/zinc/41/76/30/211417630.db2.gz ZNOVFBQWIKMJKA-OAHLLOKOSA-N 1 1 365.474 1.895 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000023736217 211395341 /nfs/dbraw/zinc/39/53/41/211395341.db2.gz IVXGHJOITQLVAZ-UHFFFAOYSA-N 1 1 370.457 1.427 50 0 FDAAMO O[C@H](C[NH2+]CCNC[C@H](O)COc1ccccc1)COc1ccccc1 ZINC000022924038 211369752 /nfs/dbraw/zinc/36/97/52/211369752.db2.gz ZRTJDAGDIFOGTM-HDICACEKSA-N 1 1 360.454 1.045 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000021932941 211330551 /nfs/dbraw/zinc/33/05/51/211330551.db2.gz GXJYGLILHRCTGV-MRXNPFEDSA-N 1 1 365.861 1.531 50 0 FDAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000020366821 211276886 /nfs/dbraw/zinc/27/68/86/211276886.db2.gz JKWLBNVZWSRHPF-UHFFFAOYSA-N 1 1 374.890 1.188 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000019868166 211259208 /nfs/dbraw/zinc/25/92/08/211259208.db2.gz DNNDZHJEAXWHJS-UHFFFAOYSA-N 1 1 353.488 1.096 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC000019889803 211258628 /nfs/dbraw/zinc/25/86/28/211258628.db2.gz VGQKQEODWRJAKL-CQSZACIVSA-N 1 1 369.462 1.000 50 0 FDAAMO CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000019589719 211237347 /nfs/dbraw/zinc/23/73/47/211237347.db2.gz GDGCLDVLDRAMPZ-UHFFFAOYSA-N 1 1 361.467 1.234 50 0 FDAAMO CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000017306770 211185408 /nfs/dbraw/zinc/18/54/08/211185408.db2.gz ZDPUCXMEAZGEFY-UHFFFAOYSA-N 1 1 370.475 1.225 50 0 FDAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000015523742 211130514 /nfs/dbraw/zinc/13/05/14/211130514.db2.gz OGNOLEZWJKOMFO-CQSZACIVSA-N 1 1 358.442 1.965 50 0 FDAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000015523742 211130520 /nfs/dbraw/zinc/13/05/20/211130520.db2.gz OGNOLEZWJKOMFO-CQSZACIVSA-N 1 1 358.442 1.965 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)c1cn(Cc2ccc(F)cc2)nn1 ZINC000015070467 211120054 /nfs/dbraw/zinc/12/00/54/211120054.db2.gz GCGHEEQFAUDLPP-INIZCTEOSA-N 1 1 361.421 1.042 50 0 FDAAMO Cc1cccc(C[N@H+]2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014539731 211095233 /nfs/dbraw/zinc/09/52/33/211095233.db2.gz XPMJQWJHHGQMDD-WOJBJXKFSA-N 1 1 363.461 1.749 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCN3C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H]3C2)c1 ZINC000014539731 211095228 /nfs/dbraw/zinc/09/52/28/211095228.db2.gz XPMJQWJHHGQMDD-WOJBJXKFSA-N 1 1 363.461 1.749 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000014117878 211075455 /nfs/dbraw/zinc/07/54/55/211075455.db2.gz ULYKGRPHNULSPO-HXUWFJFHSA-N 1 1 372.469 1.693 50 0 FDAAMO CCCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCOC)n(C)c1=O ZINC000010387016 210369076 /nfs/dbraw/zinc/36/90/76/210369076.db2.gz GMKXEOITPPFTRW-GFCCVEGCSA-N 1 1 362.434 1.100 50 0 FDAAMO O=C(CCNC(=O)Nc1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022090484 220377639 /nfs/dbraw/zinc/37/76/39/220377639.db2.gz RVEXDZYWFPBGBX-KRWDZBQOSA-N 1 1 360.458 1.521 50 0 FDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000022510916 220388278 /nfs/dbraw/zinc/38/82/78/220388278.db2.gz GLWSJFPETSQTIC-OAHLLOKOSA-N 1 1 365.474 1.895 50 0 FDAAMO CCCNC(=O)Cn1c(CC)nc2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153583 221173853 /nfs/dbraw/zinc/17/38/53/221173853.db2.gz TXRUKWGNIYGUGE-UHFFFAOYSA-N 1 1 368.481 1.890 50 0 FDAAMO Cc1nc2c(c(N(C)C[C@@H]3CC(=O)N(C(C)(C)C)C3)n1)CC[N@@H+](C)CC2 ZINC000065383325 221207712 /nfs/dbraw/zinc/20/77/12/221207712.db2.gz JBJNGUDEKVRUHC-HNNXBMFYSA-N 1 1 359.518 1.899 50 0 FDAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3c(C)cnn3C)cc2)C1 ZINC000065393973 221210218 /nfs/dbraw/zinc/21/02/18/221210218.db2.gz ZTWIERGBTIKFQX-QGZVFWFLSA-N 1 1 369.469 1.939 50 0 FDAAMO CN(Cc1nc(-c2cccnc2)no1)c1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC000065429720 221218444 /nfs/dbraw/zinc/21/84/44/221218444.db2.gz WOXGFNIHTILYGJ-AWEZNQCLSA-N 1 1 367.413 1.519 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)COc1ccc2nncn2n1 ZINC000065436116 221220804 /nfs/dbraw/zinc/22/08/04/221220804.db2.gz XZGLFJBIDIOFHF-INIZCTEOSA-N 1 1 366.425 1.018 50 0 FDAAMO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(O)(Cn3ccnc3)CC2)cc1 ZINC000065459807 221221890 /nfs/dbraw/zinc/22/18/90/221221890.db2.gz PLAQGNWBIYJOBO-QGZVFWFLSA-N 1 1 356.470 1.896 50 0 FDAAMO COc1ccccc1OC1CN(c2nc(N3CCC[C@@H](O)C3)cc[nH+]2)C1 ZINC000065497032 221227378 /nfs/dbraw/zinc/22/73/78/221227378.db2.gz LXZNIRINOOHEAS-CQSZACIVSA-N 1 1 356.426 1.714 50 0 FDAAMO COC(=O)c1cc2n(n1)CCC[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000065507688 221227830 /nfs/dbraw/zinc/22/78/30/221227830.db2.gz ILUVXGVIEFSFOP-UHFFFAOYSA-N 1 1 364.409 1.928 50 0 FDAAMO COC(=O)c1cc2n(n1)CCC[N@@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000065507688 221227833 /nfs/dbraw/zinc/22/78/33/221227833.db2.gz ILUVXGVIEFSFOP-UHFFFAOYSA-N 1 1 364.409 1.928 50 0 FDAAMO Cc1nccn1[C@H](C)C(=O)NCc1cccnc1N1CCC[N@@H+](C)CC1 ZINC000067446715 221253814 /nfs/dbraw/zinc/25/38/14/221253814.db2.gz ZZVDILYDCJZOBG-OAHLLOKOSA-N 1 1 356.474 1.606 50 0 FDAAMO COc1ccc(Cl)cc1NC(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067643060 221265399 /nfs/dbraw/zinc/26/53/99/221265399.db2.gz IRKAWJHNISWFRL-UHFFFAOYSA-N 1 1 352.822 1.435 50 0 FDAAMO O=C(NC(CO)CO)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067641068 221263367 /nfs/dbraw/zinc/26/33/67/221263367.db2.gz PLJLPVPHERYPMT-UHFFFAOYSA-N 1 1 373.453 1.212 50 0 FDAAMO C[N@@H+](Cc1cnccn1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067641338 221263712 /nfs/dbraw/zinc/26/37/12/221263712.db2.gz KTLCPYAJCWFLGM-OAQYLSRUSA-N 1 1 368.481 1.895 50 0 FDAAMO CCc1n[nH]cc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000067714445 221276922 /nfs/dbraw/zinc/27/69/22/221276922.db2.gz SGXXDQGWVTUGTP-AWEZNQCLSA-N 1 1 373.501 1.567 50 0 FDAAMO CC(C)c1nc2ccccc2n1CC(=O)N[C@H]1C[C@H]2CN(C)CC[N@H+]2C1 ZINC000067852079 221295444 /nfs/dbraw/zinc/29/54/44/221295444.db2.gz UCYZVYBXRVPDLI-HOTGVXAUSA-N 1 1 355.486 1.664 50 0 FDAAMO CC(C)c1nc2ccccc2n1CC(=O)N[C@H]1C[C@H]2C[N@H+](C)CCN2C1 ZINC000067852079 221295447 /nfs/dbraw/zinc/29/54/47/221295447.db2.gz UCYZVYBXRVPDLI-HOTGVXAUSA-N 1 1 355.486 1.664 50 0 FDAAMO CC(C)c1nc2ccccc2n1CC(=O)N[C@H]1C[C@H]2C[N@@H+](C)CCN2C1 ZINC000067852079 221295450 /nfs/dbraw/zinc/29/54/50/221295450.db2.gz UCYZVYBXRVPDLI-HOTGVXAUSA-N 1 1 355.486 1.664 50 0 FDAAMO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3n[nH]c4c3CCC4)cnn2c1 ZINC000067856588 221296720 /nfs/dbraw/zinc/29/67/20/221296720.db2.gz UKNJHCMVVHIPIK-UHFFFAOYSA-N 1 1 367.457 1.713 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CN3CCCCCC3=O)c2)CCO1 ZINC000067862057 221297354 /nfs/dbraw/zinc/29/73/54/221297354.db2.gz VSZQTNACXYPPRT-QGZVFWFLSA-N 1 1 373.497 1.926 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CN3CCCCCC3=O)c2)CCO1 ZINC000067862057 221297356 /nfs/dbraw/zinc/29/73/56/221297356.db2.gz VSZQTNACXYPPRT-QGZVFWFLSA-N 1 1 373.497 1.926 50 0 FDAAMO Cn1cc(-c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)cn1 ZINC000067935114 221306932 /nfs/dbraw/zinc/30/69/32/221306932.db2.gz BGXXQKWVTAKIOT-UHFFFAOYSA-N 1 1 355.442 1.419 50 0 FDAAMO Cc1cnc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)cn1 ZINC000071746653 221358321 /nfs/dbraw/zinc/35/83/21/221358321.db2.gz ICRPUNQKMONVRJ-KRWDZBQOSA-N 1 1 359.518 1.986 50 0 FDAAMO Cc1cnc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)cn1 ZINC000071746653 221358324 /nfs/dbraw/zinc/35/83/24/221358324.db2.gz ICRPUNQKMONVRJ-KRWDZBQOSA-N 1 1 359.518 1.986 50 0 FDAAMO CCN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071752820 221363412 /nfs/dbraw/zinc/36/34/12/221363412.db2.gz LXWOTEKFRVHJTF-IBGZPJMESA-N 1 1 374.529 1.599 50 0 FDAAMO CCn1ncnc1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071767933 221372880 /nfs/dbraw/zinc/37/28/80/221372880.db2.gz NHCCUMQHOKGPLQ-QGZVFWFLSA-N 1 1 374.533 1.597 50 0 FDAAMO COCCCN1C[C@@]2(CCCN(c3nc(N(C)C)cc[nH+]3)C2)CCC1=O ZINC000077503397 132187326 /nfs/dbraw/zinc/18/73/26/132187326.db2.gz CKZJWJWMNZHNCJ-LJQANCHMSA-N 1 1 361.490 1.788 50 0 FDAAMO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](Nc2cc[nH+]c(N)n2)C1 ZINC000091907424 132204631 /nfs/dbraw/zinc/20/46/31/132204631.db2.gz BIPBJLMVESWIAK-CQSZACIVSA-N 1 1 369.473 1.936 50 0 FDAAMO COCCN1CC[C@H](C[NH2+]C2CCN(c3ccnc(SC)n3)CC2)C1 ZINC000095379201 132209472 /nfs/dbraw/zinc/20/94/72/132209472.db2.gz ITYUBJQHZZWTDU-OAHLLOKOSA-N 1 1 365.547 1.725 50 0 FDAAMO COCC[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000095530918 132215272 /nfs/dbraw/zinc/21/52/72/132215272.db2.gz PQQTTXWIPYTNPN-GOSISDBHSA-N 1 1 360.502 1.869 50 0 FDAAMO C[N@H+]1CCN(c2ncnc3[nH]ccc32)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107400457 132241560 /nfs/dbraw/zinc/24/15/60/132241560.db2.gz SZBNGNCCMRLSOU-HXUWFJFHSA-N 1 1 368.485 1.871 50 0 FDAAMO CN1CC[N@H+](C2CCN(c3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 ZINC000107677834 132241872 /nfs/dbraw/zinc/24/18/72/132241872.db2.gz RQCMIOFKYXDMGQ-OAQYLSRUSA-N 1 1 356.514 1.942 50 0 FDAAMO C[N@@H+]1CCN(C2CCN(c3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 ZINC000107677834 132241874 /nfs/dbraw/zinc/24/18/74/132241874.db2.gz RQCMIOFKYXDMGQ-OAQYLSRUSA-N 1 1 356.514 1.942 50 0 FDAAMO C[N@H+]1CCN(C2CCN(c3ccccc3)CC2)C[C@@]12CCNC(=O)CC2 ZINC000107677834 132241876 /nfs/dbraw/zinc/24/18/76/132241876.db2.gz RQCMIOFKYXDMGQ-OAQYLSRUSA-N 1 1 356.514 1.942 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(c3cc(N)nc(N)n3)C[C@H]2CCO)cc1 ZINC000106956875 132265862 /nfs/dbraw/zinc/26/58/62/132265862.db2.gz ZDDJKASSFFUNHW-OAHLLOKOSA-N 1 1 372.473 1.113 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4nc[nH]c43)C[C@H]2CCO)cc1 ZINC000106970459 132266031 /nfs/dbraw/zinc/26/60/31/132266031.db2.gz ITTYVCVDHWWCNI-MRXNPFEDSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]cnc43)C[C@H]2CCO)cc1 ZINC000106970459 132266032 /nfs/dbraw/zinc/26/60/32/132266032.db2.gz ITTYVCVDHWWCNI-MRXNPFEDSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3ncnc4[nH]cnc43)C[C@H]2CCO)cc1 ZINC000106970459 132266034 /nfs/dbraw/zinc/26/60/34/132266034.db2.gz ITTYVCVDHWWCNI-MRXNPFEDSA-N 1 1 352.442 1.735 50 0 FDAAMO Cc1cc(N2CC[NH+](CCC(=O)Nc3nccs3)CC2)n2ncnc2n1 ZINC000244602065 132289872 /nfs/dbraw/zinc/28/98/72/132289872.db2.gz DWZLPVVFGWMPCM-UHFFFAOYSA-N 1 1 372.458 1.040 50 0 FDAAMO O=C(CC[NH+]1CCN(c2ccc3nccn3n2)CC1)Nc1cccnc1 ZINC000252505411 132292971 /nfs/dbraw/zinc/29/29/71/132292971.db2.gz VREXRMFFHPEGBB-UHFFFAOYSA-N 1 1 351.414 1.275 50 0 FDAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(c2cc(NCCO)[nH+]cn2)C1 ZINC000071552078 136139473 /nfs/dbraw/zinc/13/94/73/136139473.db2.gz VUQCILNAEBLAQV-CQSZACIVSA-N 1 1 370.409 1.709 50 0 FDAAMO CNC(=O)CC[N@H+]1CCC[C@H](N2CCN(c3ccccc3OC)CC2)C1 ZINC000072146941 136142765 /nfs/dbraw/zinc/14/27/65/136142765.db2.gz PTJNFGPHLABJML-KRWDZBQOSA-N 1 1 360.502 1.418 50 0 FDAAMO Cc1cc(CN(C)c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)n[nH]1 ZINC000072454458 221537139 /nfs/dbraw/zinc/53/71/39/221537139.db2.gz VTLDAPJQRIYHPV-GFCCVEGCSA-N 1 1 364.475 1.015 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc3c(C)c(C)[nH]c32)C[C@@H]1CO ZINC000091493946 221763684 /nfs/dbraw/zinc/76/36/84/221763684.db2.gz HATLGSBYQSRHOK-IAGOWNOFSA-N 1 1 373.497 1.779 50 0 FDAAMO COCC(=O)Nc1cc(NC(=O)N2CCC[N@@H+](C)CC2)ccc1OC ZINC000096130285 222035514 /nfs/dbraw/zinc/03/55/14/222035514.db2.gz VKGCVZYVFBBPGO-UHFFFAOYSA-N 1 1 350.419 1.450 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C(=O)c2ccccc2)C[N@@H+]1CC(C)C ZINC000096141218 222045628 /nfs/dbraw/zinc/04/56/28/222045628.db2.gz IQQDDCWVNKMDTM-MSOLQXFVSA-N 1 1 373.497 1.953 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C(=O)c2ccccc2)C[N@H+]1CC(C)C ZINC000096141218 222045631 /nfs/dbraw/zinc/04/56/31/222045631.db2.gz IQQDDCWVNKMDTM-MSOLQXFVSA-N 1 1 373.497 1.953 50 0 FDAAMO CS(=O)(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2CO)cc1 ZINC000096148800 222050687 /nfs/dbraw/zinc/05/06/87/222050687.db2.gz AOXHNBKVBNIWNS-AWEZNQCLSA-N 1 1 355.460 1.058 50 0 FDAAMO CCc1[nH+]ccn1CCc1nc(CC(N)=O)nn1Cc1ccccc1C ZINC000096159966 222060075 /nfs/dbraw/zinc/06/00/75/222060075.db2.gz QPBDCDAHBKRAGS-UHFFFAOYSA-N 1 1 352.442 1.664 50 0 FDAAMO O=S(=O)(N1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000097553287 222191172 /nfs/dbraw/zinc/19/11/72/222191172.db2.gz AETBXWIAXJKGGG-UHFFFAOYSA-N 1 1 351.516 1.968 50 0 FDAAMO O=C([C@@H]1CCC(=O)NC(=O)N1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000097492462 222184630 /nfs/dbraw/zinc/18/46/30/222184630.db2.gz LSKRYRSEKSLSKO-KRWDZBQOSA-N 1 1 372.469 1.142 50 0 FDAAMO COCC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2OC)c1 ZINC000097635159 222201940 /nfs/dbraw/zinc/20/19/40/222201940.db2.gz GGNNQDNSKDKTBV-GJZGRUSLSA-N 1 1 350.419 1.030 50 0 FDAAMO COc1ccc(-n2ccnc2CN2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000097696398 222205580 /nfs/dbraw/zinc/20/55/80/222205580.db2.gz DVJSKMJFVNWVEF-UHFFFAOYSA-N 1 1 367.457 1.290 50 0 FDAAMO O=c1occ(C[N@H+]2CCc3ccccc3C2)c([O-])c1CN1CCOCC1 ZINC000100797127 222253779 /nfs/dbraw/zinc/25/37/79/222253779.db2.gz KMBMOQWCTXCYID-UHFFFAOYSA-N 1 1 356.422 1.736 50 0 biogenic FDAAMO O=c1cc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)nc2[n-]cnn21 ZINC000101938710 222286791 /nfs/dbraw/zinc/28/67/91/222286791.db2.gz MZEBDLJNAZFFHE-IBGZPJMESA-N 1 1 370.457 1.032 50 0 FDAAMO O=C(NCCN1CCCCC1=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000426552032 263632957 /nfs/dbraw/zinc/63/29/57/263632957.db2.gz PJHCXYPKHJNLQL-UHFFFAOYSA-N 1 1 358.486 1.569 50 0 FDAAMO Cc1cccc(CN2[NH+]=C(C)[C@H](C)n3c4c(nc32)n(C)c(=O)n(C)c4=O)c1 ZINC000005148003 518333512 /nfs/dbraw/zinc/33/35/12/518333512.db2.gz KJVVZFQUFXPIPR-ZDUSSCGKSA-N 1 1 366.425 1.699 50 0 FDAAMO C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000007787426 518436365 /nfs/dbraw/zinc/43/63/65/518436365.db2.gz JEVNMYUWXNOFFH-INIZCTEOSA-N 1 1 365.499 1.251 50 0 FDAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCNC1=O ZINC000008709785 518482495 /nfs/dbraw/zinc/48/24/95/518482495.db2.gz OLJUKTIISJAIOV-UHFFFAOYSA-N 1 1 371.363 1.164 50 0 FDAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCNC1=O ZINC000008709785 518482500 /nfs/dbraw/zinc/48/25/00/518482500.db2.gz OLJUKTIISJAIOV-UHFFFAOYSA-N 1 1 371.363 1.164 50 0 FDAAMO Cc1cccn2cc(Cn3c(C(F)(F)F)ccc(C(N)=O)c3=O)[nH+]c12 ZINC000010643770 518541404 /nfs/dbraw/zinc/54/14/04/518541404.db2.gz PYZWHCYOUGLABG-UHFFFAOYSA-N 1 1 350.300 1.970 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000010922311 518547361 /nfs/dbraw/zinc/54/73/61/518547361.db2.gz SUPGVVURNFFUOU-UHFFFAOYSA-N 1 1 367.449 1.945 50 0 FDAAMO CN(C)C(=O)c1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccn1 ZINC000010973419 518548622 /nfs/dbraw/zinc/54/86/22/518548622.db2.gz ACZFMCFDCVOODV-UHFFFAOYSA-N 1 1 368.437 1.834 50 0 FDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)[NH+](C)C ZINC000011898905 518577865 /nfs/dbraw/zinc/57/78/65/518577865.db2.gz PPFOKTDANACUCY-AWEZNQCLSA-N 1 1 358.398 1.111 50 0 FDAAMO CC[N@H+]1CCC[C@@H](CN(C)c2nc3nonc3nc2NCCCOC)C1 ZINC000012298073 518601457 /nfs/dbraw/zinc/60/14/57/518601457.db2.gz MRDLDCKFOQVQFW-ZDUSSCGKSA-N 1 1 363.466 1.629 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCc2nnc3ccc(N4CCCCC4)nn32)CC1 ZINC000015678878 518731424 /nfs/dbraw/zinc/73/14/24/518731424.db2.gz WIPABUDALISGFH-UHFFFAOYSA-N 1 1 371.489 1.211 50 0 FDAAMO OCC[NH+]1CCN(c2ccc3nnc(-c4ccccc4Cl)n3n2)CC1 ZINC000020622765 518855973 /nfs/dbraw/zinc/85/59/73/518855973.db2.gz MXJIOIVPDPJIMA-UHFFFAOYSA-N 1 1 358.833 1.559 50 0 FDAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826468 519085907 /nfs/dbraw/zinc/08/59/07/519085907.db2.gz NJDBLHUUNOIDFY-BBWFWOEESA-N 1 1 373.497 1.905 50 0 FDAAMO COc1ccccc1NC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000029905518 519330382 /nfs/dbraw/zinc/33/03/82/519330382.db2.gz RKLMWQDJIXNJKU-UHFFFAOYSA-N 1 1 374.441 1.334 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000030512760 519371821 /nfs/dbraw/zinc/37/18/21/519371821.db2.gz LLKFJTUAZVAFFQ-UHFFFAOYSA-N 1 1 365.499 1.439 50 0 FDAAMO O=C(Cc1nc2ncccn2n1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032926780 519553227 /nfs/dbraw/zinc/55/32/27/519553227.db2.gz XGZZDTWKONPKGK-UHFFFAOYSA-N 1 1 350.426 1.054 50 0 FDAAMO C[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677151 519594001 /nfs/dbraw/zinc/59/40/01/519594001.db2.gz PLZYXIRNAOZHAH-CYBMUJFWSA-N 1 1 362.405 1.564 50 0 FDAAMO C[N@@H+](Cc1ccccc1)C1(C(=O)NCCC(N)=O)Cc2ccccc2C1 ZINC000039479208 519636450 /nfs/dbraw/zinc/63/64/50/519636450.db2.gz ISLALLMXFGHODE-UHFFFAOYSA-N 1 1 351.450 1.648 50 0 FDAAMO COC(=O)c1oc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000040153654 519641238 /nfs/dbraw/zinc/64/12/38/519641238.db2.gz BAYLXGQUILVEFG-ZDUSSCGKSA-N 1 1 358.460 1.668 50 0 FDAAMO COC(=O)c1oc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000040153654 519641241 /nfs/dbraw/zinc/64/12/41/519641241.db2.gz BAYLXGQUILVEFG-ZDUSSCGKSA-N 1 1 358.460 1.668 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Cn3cc(Cl)cn3)cc2C1 ZINC000082109681 519723382 /nfs/dbraw/zinc/72/33/82/519723382.db2.gz HCBKXXAACMHAEG-UHFFFAOYSA-N 1 1 364.881 1.911 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1cncn1)CC2 ZINC000091619923 520595691 /nfs/dbraw/zinc/59/56/91/520595691.db2.gz DDMMPSOVEHEEOE-UHFFFAOYSA-N 1 1 371.489 1.567 50 0 FDAAMO CC[N@H+]1CCC[C@H](c2cn(Cc3ccc4c(c3)n(C)c(=O)n4C)nn2)C1 ZINC000091595807 521650725 /nfs/dbraw/zinc/65/07/25/521650725.db2.gz CMOIXJAIYLSDEI-HNNXBMFYSA-N 1 1 354.458 1.716 50 0 FDAAMO Cn1cnc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000072129616 522158559 /nfs/dbraw/zinc/15/85/59/522158559.db2.gz IEJUFNURKNOCLS-QGZVFWFLSA-N 1 1 362.499 1.796 50 0 FDAAMO Cc1n[nH]c(C)c1CCC(=O)N1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000072129620 522158962 /nfs/dbraw/zinc/15/89/62/522158962.db2.gz MEAKJEIGEQBPFR-QGZVFWFLSA-N 1 1 373.432 1.537 50 0 FDAAMO Cc1ncc2c(c1CNC(=O)CCc1n[nH]c3c1CCCC3)CC[NH2+]C2 ZINC000072143292 522167964 /nfs/dbraw/zinc/16/79/64/522167964.db2.gz UGPWCDHEFCCBAD-UHFFFAOYSA-N 1 1 353.470 1.887 50 0 FDAAMO CN(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000072149168 522174963 /nfs/dbraw/zinc/17/49/63/522174963.db2.gz WSKWVNQVLSKKDK-QGZVFWFLSA-N 1 1 356.474 1.570 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 ZINC000072149168 522174971 /nfs/dbraw/zinc/17/49/71/522174971.db2.gz WSKWVNQVLSKKDK-QGZVFWFLSA-N 1 1 356.474 1.570 50 0 FDAAMO CCc1nc(C)c(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(C)nc2)o1 ZINC000072153572 522181265 /nfs/dbraw/zinc/18/12/65/522181265.db2.gz TVFOPVQWXRCOPY-AWEZNQCLSA-N 1 1 357.414 1.302 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000058181029 522216592 /nfs/dbraw/zinc/21/65/92/522216592.db2.gz HLSHVBALHIEWBR-NSHDSACASA-N 1 1 352.460 1.177 50 0 FDAAMO O=C1CC[C@]2(CCC[N@@H+](CCCn3cnnn3)C2)CN1Cc1ccccn1 ZINC000072419027 522247521 /nfs/dbraw/zinc/24/75/21/522247521.db2.gz JRYXFWYLEOAZQW-IBGZPJMESA-N 1 1 369.473 1.363 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccccc1-c1nn[nH]n1 ZINC000072421381 522250270 /nfs/dbraw/zinc/25/02/70/522250270.db2.gz BLDORJVEPKLVAT-MRXNPFEDSA-N 1 1 362.437 1.995 50 0 FDAAMO CN(C)Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)n1C ZINC000072423508 522255334 /nfs/dbraw/zinc/25/53/34/522255334.db2.gz YSINKVOTLUCMPW-CQSZACIVSA-N 1 1 355.446 1.793 50 0 FDAAMO COc1cc(CN2CCC[C@@](O)(CO)C2)ccc1OCC[NH+]1CCCC1 ZINC000072423371 522256041 /nfs/dbraw/zinc/25/60/41/522256041.db2.gz QCSWWLDUNQRDPE-FQEVSTJZSA-N 1 1 364.486 1.489 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000072423961 522256655 /nfs/dbraw/zinc/25/66/55/522256655.db2.gz WICMUAFWPCRTPW-AWEZNQCLSA-N 1 1 362.503 1.483 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000072423961 522256664 /nfs/dbraw/zinc/25/66/64/522256664.db2.gz WICMUAFWPCRTPW-AWEZNQCLSA-N 1 1 362.503 1.483 50 0 FDAAMO O=C(CCc1cc2n(n1)CC[NH2+]C2)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000072429841 522264211 /nfs/dbraw/zinc/26/42/11/522264211.db2.gz BXTUPHAGEXWMPW-UHFFFAOYSA-N 1 1 358.833 1.765 50 0 FDAAMO Cc1nc2c(c(N3CCCN(Cc4ccccn4)CC3)n1)CC[NH2+]CC2 ZINC000072432275 522270063 /nfs/dbraw/zinc/27/00/63/522270063.db2.gz OIAFOTGVQDXZBJ-UHFFFAOYSA-N 1 1 352.486 1.581 50 0 FDAAMO CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000072438492 522276846 /nfs/dbraw/zinc/27/68/46/522276846.db2.gz DRBQZKYAZGTQEZ-GOSISDBHSA-N 1 1 350.426 1.500 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNc2cc(-c3ccncc3)nc3ccnn32)C1 ZINC000072469057 522289673 /nfs/dbraw/zinc/28/96/73/522289673.db2.gz KIRPCAWQMSNSMR-OAHLLOKOSA-N 1 1 365.441 1.401 50 0 FDAAMO CCn1cc(C[N@H+]2CCc3nc(N)nc(N[C@@H]4CCOC4)c3CC2)cn1 ZINC000072478476 522303069 /nfs/dbraw/zinc/30/30/69/522303069.db2.gz YGPVCYWXCORZKT-CQSZACIVSA-N 1 1 357.462 1.077 50 0 FDAAMO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000073333715 522513428 /nfs/dbraw/zinc/51/34/28/522513428.db2.gz ZSVRCNJACWLUKZ-INIZCTEOSA-N 1 1 374.485 1.171 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000091390718 522768250 /nfs/dbraw/zinc/76/82/50/522768250.db2.gz XQIZMXHPZMHITN-UHFFFAOYSA-N 1 1 372.473 1.465 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CCC[N@@H+](Cc1cnc(C(C)C)nc1)C2 ZINC000091390718 522768256 /nfs/dbraw/zinc/76/82/56/522768256.db2.gz XQIZMXHPZMHITN-UHFFFAOYSA-N 1 1 372.473 1.465 50 0 FDAAMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000075094024 522876821 /nfs/dbraw/zinc/87/68/21/522876821.db2.gz NEESXVCOGIRWNV-CQSZACIVSA-N 1 1 355.460 1.011 50 0 FDAAMO C[N@@H+](CCO)C[C@H]1COCCN1C(=O)COc1ccc2ccccc2c1 ZINC000085469934 522883631 /nfs/dbraw/zinc/88/36/31/522883631.db2.gz HXCVHBYFGYYZDI-SFHVURJKSA-N 1 1 358.438 1.370 50 0 FDAAMO CCS[C@@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000075610588 522941817 /nfs/dbraw/zinc/94/18/17/522941817.db2.gz LOAMABXCLSQWMO-MRXNPFEDSA-N 1 1 357.564 1.821 50 0 FDAAMO COc1ccc(-c2noc(CCC(=O)NCCC[NH+]3CCOCC3)n2)cc1 ZINC000020181767 523282038 /nfs/dbraw/zinc/28/20/38/523282038.db2.gz QCOVEXLCTNFUCJ-UHFFFAOYSA-N 1 1 374.441 1.516 50 0 FDAAMO C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000077357837 523308375 /nfs/dbraw/zinc/30/83/75/523308375.db2.gz OGNCNJNJMOMJSS-ROUUACIJSA-N 1 1 365.905 1.794 50 0 FDAAMO CC(C)([NH3+])C(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1 ZINC000077376418 523310432 /nfs/dbraw/zinc/31/04/32/523310432.db2.gz SLFPNJZIQOGKGF-UHFFFAOYSA-N 1 1 374.466 1.504 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC2(CC(=O)N(C)C2)CC1 ZINC000077408060 523327424 /nfs/dbraw/zinc/32/74/24/523327424.db2.gz VDJVETFFGWFVHF-SFHVURJKSA-N 1 1 355.482 1.904 50 0 FDAAMO Cc1nc(SCC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)n[nH]1 ZINC000077470368 523352290 /nfs/dbraw/zinc/35/22/90/523352290.db2.gz ZPCWZIQDKJFNHF-UHFFFAOYSA-N 1 1 371.510 1.907 50 0 FDAAMO Cc1nnc(SCC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000077470368 523352302 /nfs/dbraw/zinc/35/23/02/523352302.db2.gz ZPCWZIQDKJFNHF-UHFFFAOYSA-N 1 1 371.510 1.907 50 0 FDAAMO Cc1nnc(SCC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000077470368 523352309 /nfs/dbraw/zinc/35/23/09/523352309.db2.gz ZPCWZIQDKJFNHF-UHFFFAOYSA-N 1 1 371.510 1.907 50 0 FDAAMO NC(=O)COc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000053666791 523485619 /nfs/dbraw/zinc/48/56/19/523485619.db2.gz OFPFWIUHIAGKFW-UHFFFAOYSA-N 1 1 367.449 1.551 50 0 FDAAMO CCn1ccnc1C[NH2+]C[C@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000067821011 523595120 /nfs/dbraw/zinc/59/51/20/523595120.db2.gz QGRGDWKEOXOHLS-LJQANCHMSA-N 1 1 360.433 1.685 50 0 FDAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=O)N(C)C)cc1OC ZINC000020588679 524012414 /nfs/dbraw/zinc/01/24/14/524012414.db2.gz FCSVCAVTYXGKDF-UHFFFAOYSA-N 1 1 365.474 1.910 50 0 FDAAMO COc1cc(SC)c(OC)cc1C[N@H+]1CC[C@]2(CC(=O)NC2=O)C1 ZINC000082108234 524212074 /nfs/dbraw/zinc/21/20/74/524212074.db2.gz XLMUCOUUBOQCTO-KRWDZBQOSA-N 1 1 350.440 1.664 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)[C@@H]3CCCCN3C(C)=O)cc2C1 ZINC000082161480 524219318 /nfs/dbraw/zinc/21/93/18/524219318.db2.gz DDUVVNLTXHXETQ-SFHVURJKSA-N 1 1 361.490 1.516 50 0 FDAAMO CC(=O)NCc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1 ZINC000084715256 524326485 /nfs/dbraw/zinc/32/64/85/524326485.db2.gz PISRKMPQJXCHMX-WCQYABFASA-N 1 1 357.501 1.241 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1 ZINC000174022957 524506582 /nfs/dbraw/zinc/50/65/82/524506582.db2.gz QCGISLAVSHKYAL-AWEZNQCLSA-N 1 1 365.499 1.924 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000089484457 524507833 /nfs/dbraw/zinc/50/78/33/524507833.db2.gz AAMTWQJWVWOOGP-NVXWUHKLSA-N 1 1 369.531 1.133 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)CC2)c1 ZINC000089672725 524545529 /nfs/dbraw/zinc/54/55/29/524545529.db2.gz WTRBQKFCDCCJFG-ICSRJNTNSA-N 1 1 356.514 1.812 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(c1cncc(C(=O)N3CCCC3)n1)C2 ZINC000091433760 524702902 /nfs/dbraw/zinc/70/29/02/524702902.db2.gz DJRXDGBDFFMSNT-HZPDHXFCSA-N 1 1 359.474 1.260 50 0 FDAAMO O=C(C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2)N1CCCC1 ZINC000091468382 524710802 /nfs/dbraw/zinc/71/08/02/524710802.db2.gz SHEUZLSNDARWIX-QFBILLFUSA-N 1 1 367.493 1.699 50 0 FDAAMO Cc1ccc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091548620 524724853 /nfs/dbraw/zinc/72/48/53/524724853.db2.gz FQUBUHDHXUISRH-HZPDHXFCSA-N 1 1 367.921 1.822 50 0 FDAAMO Cc1ccc(Cl)cc1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091548620 524724860 /nfs/dbraw/zinc/72/48/60/524724860.db2.gz FQUBUHDHXUISRH-HZPDHXFCSA-N 1 1 367.921 1.822 50 0 FDAAMO O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000091552024 524725236 /nfs/dbraw/zinc/72/52/36/524725236.db2.gz NETAIZMSBJRWTB-SWLSCSKDSA-N 1 1 365.861 1.744 50 0 FDAAMO Cc1ccc(C)c2c(=O)cc(C[N@@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)[nH]c12 ZINC000091595866 524735660 /nfs/dbraw/zinc/73/56/60/524735660.db2.gz KVWXKMKERWILDZ-WMZOPIPTSA-N 1 1 357.454 1.022 50 0 FDAAMO Cc1ccc(C)c2c(=O)cc(C[N@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)[nH]c12 ZINC000091595866 524735672 /nfs/dbraw/zinc/73/56/72/524735672.db2.gz KVWXKMKERWILDZ-WMZOPIPTSA-N 1 1 357.454 1.022 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2(c3ccccc3F)CCCC2)C1 ZINC000091737699 524772370 /nfs/dbraw/zinc/77/23/70/524772370.db2.gz CTYIILRXMLXYQL-OAHLLOKOSA-N 1 1 361.461 1.951 50 0 FDAAMO Cc1ccc([C@H](C(=O)N2CCN(CCn3cncn3)CC2)[NH+](C)C)cc1 ZINC000091769898 524778624 /nfs/dbraw/zinc/77/86/24/524778624.db2.gz ZFRAFLYZNFAVHE-GOSISDBHSA-N 1 1 356.474 1.034 50 0 FDAAMO COc1cccc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1OC ZINC000091769437 524779101 /nfs/dbraw/zinc/77/91/01/524779101.db2.gz RQHMPRJZVNDGBX-FQEVSTJZSA-N 1 1 361.486 1.832 50 0 FDAAMO Nc1nnc(SCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)s1 ZINC000091871918 524804355 /nfs/dbraw/zinc/80/43/55/524804355.db2.gz SLLUXCWDGMNRBP-VXGBXAGGSA-N 1 1 353.517 1.545 50 0 FDAAMO C[C@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)n1cncn1 ZINC000091893230 524806830 /nfs/dbraw/zinc/80/68/30/524806830.db2.gz GGXZQQVNCULOLV-CQSZACIVSA-N 1 1 357.462 1.500 50 0 FDAAMO O=C(c1ccn2nnnc2c1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091906476 524807630 /nfs/dbraw/zinc/80/76/30/524807630.db2.gz MPTLGUITYFJNNE-SJLPKXTDSA-N 1 1 362.437 1.861 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3cc(=O)n4ccccc4n3)C2)C1=O ZINC000091915505 524812613 /nfs/dbraw/zinc/81/26/13/524812613.db2.gz FFIOXTOHIHOBNZ-HXUWFJFHSA-N 1 1 370.453 1.155 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCN(CCO)C3=O)CCC2 ZINC000091933220 524814087 /nfs/dbraw/zinc/81/40/87/524814087.db2.gz AUEWMPLUDJRLAZ-NRFANRHFSA-N 1 1 358.482 1.991 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(C)n2)C[N@H+]1CC1CCCCC1 ZINC000091997108 524825571 /nfs/dbraw/zinc/82/55/71/524825571.db2.gz BKPSQXXNMXVJRL-WBVHZDCISA-N 1 1 361.490 1.309 50 0 FDAAMO CC(C)c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(=O)n1C ZINC000092066619 524838608 /nfs/dbraw/zinc/83/86/08/524838608.db2.gz SOECCXDFXKYHRO-INIZCTEOSA-N 1 1 361.486 1.836 50 0 FDAAMO COc1ccc(OC2CCN(C(=O)[C@@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000082134003 524926573 /nfs/dbraw/zinc/92/65/73/524926573.db2.gz ZMJYZIHDVWLMPZ-MRXNPFEDSA-N 1 1 361.486 1.701 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1C ZINC000095352294 525026671 /nfs/dbraw/zinc/02/66/71/525026671.db2.gz KEFQBNWVPHTRNI-MRXNPFEDSA-N 1 1 365.441 1.783 50 0 FDAAMO C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccncc1 ZINC000079501661 525030760 /nfs/dbraw/zinc/03/07/60/525030760.db2.gz HTUICLSSYIEBGY-INIZCTEOSA-N 1 1 367.453 1.936 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc3c1ccn3C)C2 ZINC000095359200 525034222 /nfs/dbraw/zinc/03/42/22/525034222.db2.gz NVZOEKXNFWIJTG-JKSUJKDBSA-N 1 1 368.481 1.803 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc3c1ccn3C)C2 ZINC000095359200 525034229 /nfs/dbraw/zinc/03/42/29/525034229.db2.gz NVZOEKXNFWIJTG-JKSUJKDBSA-N 1 1 368.481 1.803 50 0 FDAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000095363307 525039754 /nfs/dbraw/zinc/03/97/54/525039754.db2.gz NILOSRHGDNMKNU-OAHLLOKOSA-N 1 1 358.486 1.729 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cn3cccn3)o1)C2 ZINC000095366238 525042079 /nfs/dbraw/zinc/04/20/79/525042079.db2.gz DZYQQMJEROLLMD-HZPDHXFCSA-N 1 1 358.442 1.707 50 0 FDAAMO CCC[C@@H]1CN(C(=O)Cn2c3ccccc3oc2=O)CC[N@H+]1CCOC ZINC000095452151 525069260 /nfs/dbraw/zinc/06/92/60/525069260.db2.gz YYTQUGMHCJYQED-OAHLLOKOSA-N 1 1 361.442 1.554 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)cn1 ZINC000095499381 525082276 /nfs/dbraw/zinc/08/22/76/525082276.db2.gz KVJUYOITUDHDTG-KRWDZBQOSA-N 1 1 374.533 1.309 50 0 FDAAMO Cn1nc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)ccc1=O ZINC000095501140 525083770 /nfs/dbraw/zinc/08/37/70/525083770.db2.gz QTOAIQHSHFNSBT-QGZVFWFLSA-N 1 1 366.465 1.874 50 0 FDAAMO C=Cn1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)cn1 ZINC000095508866 525091760 /nfs/dbraw/zinc/09/17/60/525091760.db2.gz LCBKHXWTJVBEHR-MSOLQXFVSA-N 1 1 361.490 1.286 50 0 FDAAMO C=Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)cn1 ZINC000095508866 525091766 /nfs/dbraw/zinc/09/17/66/525091766.db2.gz LCBKHXWTJVBEHR-MSOLQXFVSA-N 1 1 361.490 1.286 50 0 FDAAMO Cc1ccccc1OCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000091536033 525279135 /nfs/dbraw/zinc/27/91/35/525279135.db2.gz JXKUNPXDRWTVTE-DLBZAZTESA-N 1 1 359.470 1.385 50 0 FDAAMO Cc1ccccc1OCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000091536033 525279145 /nfs/dbraw/zinc/27/91/45/525279145.db2.gz JXKUNPXDRWTVTE-DLBZAZTESA-N 1 1 359.470 1.385 50 0 FDAAMO OCCO[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000179580504 525604113 /nfs/dbraw/zinc/60/41/13/525604113.db2.gz WPFSYKBNZILFNK-MRXNPFEDSA-N 1 1 359.426 1.821 50 0 FDAAMO Cc1ccc2c(cnn2C(=O)CCCC(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020464363 526223196 /nfs/dbraw/zinc/22/31/96/526223196.db2.gz DQEPWFHNGUJCQC-UHFFFAOYSA-N 1 1 372.469 1.994 50 0 FDAAMO O=C(c1ccccc1Br)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436623 526801087 /nfs/dbraw/zinc/80/10/87/526801087.db2.gz YVVBIFOMFLZDLR-HNNXBMFYSA-N 1 1 353.260 1.978 50 0 FDAAMO Cn1nc(CNC(=O)C[NH+]2CCC(C(N)=O)CC2)c2c1cccc2Cl ZINC000091586042 527554132 /nfs/dbraw/zinc/55/41/32/527554132.db2.gz NHOZSRUBVNWMON-UHFFFAOYSA-N 1 1 363.849 1.040 50 0 FDAAMO OCCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nc3c(s1)CCCC3)CC2 ZINC000091461247 527558184 /nfs/dbraw/zinc/55/81/84/527558184.db2.gz MSSDXBUSYGQKLO-CVEARBPZSA-N 1 1 352.500 1.746 50 0 FDAAMO CCNC(=O)c1ccnc(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000072425967 535450543 /nfs/dbraw/zinc/45/05/43/535450543.db2.gz DWPOXHXPWCNSPL-MRXNPFEDSA-N 1 1 374.510 1.966 50 0 FDAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C[C@H]1COC ZINC000257190690 537252771 /nfs/dbraw/zinc/25/27/71/537252771.db2.gz NNGXILAIZMDDIK-DOTOQJQBSA-N 1 1 358.442 1.526 50 0 FDAAMO CNC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(CN3CCN(C)CC3)c2C)C1 ZINC000215421195 537437592 /nfs/dbraw/zinc/43/75/92/537437592.db2.gz CYIPWYVVEBISPU-SFHVURJKSA-N 1 1 358.530 1.619 50 0 FDAAMO CNC(=O)[C@H]1CC[N@@H+](Cc2cc(C)cc(CN3CCN(C)CC3)c2C)C1 ZINC000215421195 537437597 /nfs/dbraw/zinc/43/75/97/537437597.db2.gz CYIPWYVVEBISPU-SFHVURJKSA-N 1 1 358.530 1.619 50 0 FDAAMO CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000215826349 537441904 /nfs/dbraw/zinc/44/19/04/537441904.db2.gz WYONYAPYBMPBIW-BBRMVZONSA-N 1 1 359.861 1.646 50 0 FDAAMO O=C(CC[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000219178758 537470265 /nfs/dbraw/zinc/47/02/65/537470265.db2.gz SSVRJQSTLVTOKL-MOPGFXCFSA-N 1 1 355.482 1.774 50 0 FDAAMO OC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cnn(-c3ccccc3F)c1)C2 ZINC000221301086 537498705 /nfs/dbraw/zinc/49/87/05/537498705.db2.gz XZWINDVYENWVKN-IBGZPJMESA-N 1 1 371.416 1.640 50 0 FDAAMO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cnn(-c3ccccc3F)c1)C2 ZINC000221301086 537498713 /nfs/dbraw/zinc/49/87/13/537498713.db2.gz XZWINDVYENWVKN-IBGZPJMESA-N 1 1 371.416 1.640 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)C1 ZINC000229976862 537576770 /nfs/dbraw/zinc/57/67/70/537576770.db2.gz PRJHVEDZGJABKC-PMPSAXMXSA-N 1 1 369.506 1.907 50 0 FDAAMO Cn1cc(NC(=O)C[N@H+]2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cn1 ZINC000244608586 537648035 /nfs/dbraw/zinc/64/80/35/537648035.db2.gz FFEKNRQYPDFENC-HKUYNNGSSA-N 1 1 360.458 1.576 50 0 FDAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H](c4nnc(CO)n4C)C3)nc12 ZINC000244701096 537650209 /nfs/dbraw/zinc/65/02/09/537650209.db2.gz KACRVEJHHWJSTR-CQSZACIVSA-N 1 1 368.441 1.003 50 0 FDAAMO Nc1nnc(SCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000244852855 537654254 /nfs/dbraw/zinc/65/42/54/537654254.db2.gz VAAVDVKZYFCKEA-ZDUSSCGKSA-N 1 1 363.512 1.851 50 0 FDAAMO O=C([C@H](c1ccc(F)cc1)[NH+]1CCCCC1)N1CCN(c2nc[nH]n2)CC1 ZINC000244873182 537654557 /nfs/dbraw/zinc/65/45/57/537654557.db2.gz WLICWOWSIPEGDA-KRWDZBQOSA-N 1 1 372.448 1.820 50 0 FDAAMO CN(C)c1nc(N)nc(CNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000426726944 538125566 /nfs/dbraw/zinc/12/55/66/538125566.db2.gz UYAOKKMRLIFAMX-UONOGXRCSA-N 1 1 361.494 1.181 50 0 FDAAMO Cc1nccc([C@@H]2CCC[N@@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)n1 ZINC000584907097 551568035 /nfs/dbraw/zinc/56/80/35/551568035.db2.gz OIJUVWOYAYSCNT-OAHLLOKOSA-N 1 1 357.458 1.829 50 0 FDAAMO CCNc1cc[nH+]c(N[C@H]2C[C@@H](c3nnc(Cn4cccn4)n3C)C2)n1 ZINC000243932692 571112965 /nfs/dbraw/zinc/11/29/65/571112965.db2.gz BYAYWMPAJRHCNX-BETUJISGSA-N 1 1 353.434 1.640 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000244794728 571116912 /nfs/dbraw/zinc/11/69/12/571116912.db2.gz QSKGQXNQAULTPI-UHFFFAOYSA-N 1 1 368.481 1.734 50 0 FDAAMO C[N@@H+](CCNc1cc([C@H]2CCOC2)ncn1)Cc1cccc2nonc21 ZINC000426488229 571129197 /nfs/dbraw/zinc/12/91/97/571129197.db2.gz LJGHMYMPYSCDSP-AWEZNQCLSA-N 1 1 354.414 2.061 50 0 FDAAMO OC1CN(c2nc(NCCCOc3ccccc3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426438906 571132742 /nfs/dbraw/zinc/13/27/42/571132742.db2.gz QCENNUNYWKSHOZ-OAHLLOKOSA-N 1 1 370.453 2.042 50 0 FDAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000426359581 571215066 /nfs/dbraw/zinc/21/50/66/571215066.db2.gz HIZIMQWVLKXCMS-IBGZPJMESA-N 1 1 360.502 1.620 50 0 FDAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000426359581 571215067 /nfs/dbraw/zinc/21/50/67/571215067.db2.gz HIZIMQWVLKXCMS-IBGZPJMESA-N 1 1 360.502 1.620 50 0 FDAAMO O=C(NCCC[N@@H+]1CCC[C@H](O)C1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000426369980 571215890 /nfs/dbraw/zinc/21/58/90/571215890.db2.gz RBQGEZLURUQQLE-SFHVURJKSA-N 1 1 374.485 1.001 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)N2CCc3c(Cl)cccc3C2)C1 ZINC000426405448 571221050 /nfs/dbraw/zinc/22/10/50/571221050.db2.gz FDIMDTCGCLJRGI-CQSZACIVSA-N 1 1 364.877 1.605 50 0 FDAAMO Cc1nc2ccc(C(=O)N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)cc2o1 ZINC000426427911 571224116 /nfs/dbraw/zinc/22/41/16/571224116.db2.gz IOHWMYIWXWEAMJ-UHFFFAOYSA-N 1 1 356.426 1.563 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F ZINC000426498467 571228649 /nfs/dbraw/zinc/22/86/49/571228649.db2.gz ITCOCGKRJAOJOO-UHFFFAOYSA-N 1 1 369.422 1.914 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000426518776 571229945 /nfs/dbraw/zinc/22/99/45/571229945.db2.gz KZUSUAPGMUUOAM-QGZVFWFLSA-N 1 1 374.485 1.122 50 0 FDAAMO Cc1nn(C)c(C)c1CN(C(=O)NCCC[N@H+]1CCC[C@H](O)C1)C1CC1 ZINC000426593562 571232645 /nfs/dbraw/zinc/23/26/45/571232645.db2.gz FDGFQOVRPOJLNS-KRWDZBQOSA-N 1 1 363.506 1.558 50 0 FDAAMO CC(C)c1cc(C(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH]n1 ZINC000524731647 571258674 /nfs/dbraw/zinc/25/86/74/571258674.db2.gz FXBURZUFAQXWCS-CABCVRRESA-N 1 1 369.469 1.544 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(C)COC(C)(C)OC2)CC1 ZINC000253417000 571312613 /nfs/dbraw/zinc/31/26/13/571312613.db2.gz UCTLFZICDUQYMG-MRXNPFEDSA-N 1 1 353.507 1.404 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N3CCOCC3)CC2)s1 ZINC000670439855 571348419 /nfs/dbraw/zinc/34/84/19/571348419.db2.gz RMEHNTYZXPRKDC-UHFFFAOYSA-N 1 1 359.517 1.141 50 0 FDAAMO Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)N3CCOCC3)CC2)s1 ZINC000670439855 571348420 /nfs/dbraw/zinc/34/84/20/571348420.db2.gz RMEHNTYZXPRKDC-UHFFFAOYSA-N 1 1 359.517 1.141 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 ZINC000670458312 571355493 /nfs/dbraw/zinc/35/54/93/571355493.db2.gz WWNPUPFGNMBKAI-LBPRGKRZSA-N 1 1 369.443 1.170 50 0 FDAAMO CNC(=O)N1CCC2(CC1)C[C@@H](N1CC[NH+](CC(C)C)CC1)CCO2 ZINC000169788335 672041976 /nfs/dbraw/zinc/04/19/76/672041976.db2.gz AOCHYDODKPLLON-KRWDZBQOSA-N 1 1 352.523 1.613 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)C3CCOCC3)CC2)C12CCOCC2 ZINC000257181737 672630142 /nfs/dbraw/zinc/63/01/42/672630142.db2.gz NVDQOAIOIVUOCD-QGZVFWFLSA-N 1 1 352.475 1.284 50 0 FDAAMO CC[C@H]1CN(C(=O)CCc2nc(-c3ccccn3)no2)CC[N@H+]1CCOC ZINC000117299459 774771025 /nfs/dbraw/zinc/77/10/25/774771025.db2.gz UGZOGSNPANDCHM-HNNXBMFYSA-N 1 1 373.457 1.633 50 0 FDAAMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cc3ccccc3O)CC2)CC1 ZINC000066651342 787352725 /nfs/dbraw/zinc/35/27/25/787352725.db2.gz VWEIUUCSSJGZKK-UHFFFAOYSA-N 1 1 373.497 1.728 50 0 FDAAMO CNC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)CCOC)[C@@H]23 ZINC000257176474 793821802 /nfs/dbraw/zinc/82/18/02/793821802.db2.gz AKSNKDZAKDSQEA-XLSPSMHOSA-N 1 1 365.518 1.641 50 0 FDAAMO COc1ccccc1NC(=O)N1CC[C@@H](c2nnc3n2CC[N@H+](C)CC3)C1 ZINC000257191676 794017230 /nfs/dbraw/zinc/01/72/30/794017230.db2.gz PXJVJJGJZVDBJE-CQSZACIVSA-N 1 1 370.457 1.796 50 0 FDAAMO Cc1cc(C[NH+]2CCC3(C[C@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)n(C)n1 ZINC000675011238 795205527 /nfs/dbraw/zinc/20/55/27/795205527.db2.gz RDRLCTLGWPYQKD-GOSISDBHSA-N 1 1 359.518 1.637 50 0 FDAAMO Cc1nc2c([nH]1)CN(C(=O)NCC1([NH+]3CCN(C)CC3)CCCCC1)CC2 ZINC000426491096 810643263 /nfs/dbraw/zinc/64/32/63/810643263.db2.gz WHWPDXUXJMLEQB-UHFFFAOYSA-N 1 1 374.533 1.736 50 0 FDAAMO O=C(N1CCC2(C[C@@H]3C(=O)NCC[N@@H+]3C2)CC1)C1(c2ccccc2)CC1 ZINC000169787694 864518165 /nfs/dbraw/zinc/51/81/65/864518165.db2.gz CGEIPLHWQKKQPX-QGZVFWFLSA-N 1 1 353.466 1.531 50 0 FDAAMO COCC[N@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)Cc1ccccc1F)CC2 ZINC000169782063 864522451 /nfs/dbraw/zinc/52/24/51/864522451.db2.gz ZKKOYNDFZIXKCK-KRWDZBQOSA-N 1 1 364.461 1.548 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2c3nonc3c(C)cc2C)C1 ZINC000824412414 922985988 /nfs/dbraw/zinc/98/59/88/922985988.db2.gz OSPQSAUCWLYTRP-CYBMUJFWSA-N 1 1 368.459 1.086 50 0 FDAAMO COc1ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)cc1OC ZINC000824504873 923059498 /nfs/dbraw/zinc/05/94/98/923059498.db2.gz QJKOHQMZWOOJBE-BBRMVZONSA-N 1 1 358.460 1.090 50 0 FDAAMO COc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2OC)cc1OC ZINC000824504873 923059527 /nfs/dbraw/zinc/05/95/27/923059527.db2.gz QJKOHQMZWOOJBE-BBRMVZONSA-N 1 1 358.460 1.090 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cccc(=O)[nH]1 ZINC000828928303 924978652 /nfs/dbraw/zinc/97/86/52/924978652.db2.gz BSEQPMSBZJFMND-RNFHDMOYSA-N 1 1 364.449 1.085 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCc2ccc3c(c2)CN(C(C)=O)CCO3)CC1 ZINC000581800568 927585643 /nfs/dbraw/zinc/58/56/43/927585643.db2.gz VFNPPPFUTNRGAQ-UHFFFAOYSA-N 1 1 359.470 1.524 50 0 FDAAMO Cc1cc(CNC(=O)c2ccc(N3CC[NH+](C)CC3)c(F)c2)nc(C)n1 ZINC000585081576 943768399 /nfs/dbraw/zinc/76/83/99/943768399.db2.gz QZBNLXWDFWYJBC-UHFFFAOYSA-N 1 1 357.433 1.914 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CC(N(C)C[C@@H](C)[NH+]3CCOCC3)C2)cc1 ZINC000952870101 960215786 /nfs/dbraw/zinc/21/57/86/960215786.db2.gz UUVOGHVZDSCEQN-MRXNPFEDSA-N 1 1 367.515 1.020 50 0 FDAAMO COC[C@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000952972154 960266034 /nfs/dbraw/zinc/26/60/34/960266034.db2.gz DKXDRSANLLGYOH-OAHLLOKOSA-N 1 1 373.544 1.611 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000952976126 960272784 /nfs/dbraw/zinc/27/27/84/960272784.db2.gz HSNFLMLXHCLROQ-KRWDZBQOSA-N 1 1 372.469 1.045 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000952976126 960272793 /nfs/dbraw/zinc/27/27/93/960272793.db2.gz HSNFLMLXHCLROQ-KRWDZBQOSA-N 1 1 372.469 1.045 50 0 FDAAMO O=C(NC[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1)C1CCOCC1 ZINC000952977603 960274940 /nfs/dbraw/zinc/27/49/40/960274940.db2.gz CTLGTHXCHYEIFO-CQSZACIVSA-N 1 1 354.882 1.791 50 0 FDAAMO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000952978216 960276405 /nfs/dbraw/zinc/27/64/05/960276405.db2.gz PVRCJWCAVYLMLF-KGLIPLIRSA-N 1 1 358.442 1.338 50 0 FDAAMO Cc1ccc(-c2ccc(=O)[nH]n2)cc1NC(=O)CN1CCC[N@H+](C)CC1 ZINC000952967309 960282856 /nfs/dbraw/zinc/28/28/56/960282856.db2.gz HIZMSVRQXAUGAR-UHFFFAOYSA-N 1 1 355.442 1.734 50 0 FDAAMO CN1C(=O)[C@H]2CN(C(=O)[C@H](c3ccc(F)cc3)[NH+]3CCCCC3)C[C@H]2C1=O ZINC000952967506 960283055 /nfs/dbraw/zinc/28/30/55/960283055.db2.gz APDLZAVSHUICIE-BBWFWOEESA-N 1 1 373.428 1.426 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000952983000 960297633 /nfs/dbraw/zinc/29/76/33/960297633.db2.gz QVFSJUASTNWOJF-MJGOQNOKSA-N 1 1 352.438 1.485 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000952989040 960312155 /nfs/dbraw/zinc/31/21/55/960312155.db2.gz GVPLYKSIFWHZRK-QZTJIDSGSA-N 1 1 358.486 1.137 50 0 FDAAMO OC[C@@H]1C[N@@H+](Cc2ccncc2F)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000253401342 1008774099 /nfs/dbraw/zinc/77/40/99/1008774099.db2.gz FNTHVTOYQPKRAR-LSDHHAIUSA-N 1 1 355.373 1.874 50 0 FDAAMO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000025826462 210173173 /nfs/dbraw/zinc/17/31/73/210173173.db2.gz NJDBLHUUNOIDFY-ZACQAIPSSA-N 1 1 373.497 1.905 50 0 FDAAMO Cc1nc(CN2CC[C@@H](NC(=O)Cn3c[nH+]c(C)c3C)[C@H](O)C2)cs1 ZINC000299801617 210039014 /nfs/dbraw/zinc/03/90/14/210039014.db2.gz ZJNWRKHKBDHBDI-HZPDHXFCSA-N 1 1 363.487 1.016 50 0 FDAAMO O=c1oc2ccccc2n1CC[N@@H+]1C[C@H]2COCC[C@@]2(O)[C@@H]2COCC[C@@H]21 ZINC000299791269 210033861 /nfs/dbraw/zinc/03/38/61/210033861.db2.gz DCFKPOBZFBTPCS-QOIOWGMHSA-N 1 1 374.437 1.083 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000299790394 210031458 /nfs/dbraw/zinc/03/14/58/210031458.db2.gz ALHNKRVDWJNUGO-MRXNPFEDSA-N 1 1 360.458 1.927 50 0 FDAAMO CN1CC[NH+]([C@H]2CCN(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)C2)CC1 ZINC000299784591 210027746 /nfs/dbraw/zinc/02/77/46/210027746.db2.gz OGZBMDIGECRTHL-ZDUSSCGKSA-N 1 1 365.865 1.293 50 0 FDAAMO CS(=O)(=O)c1ccc(NC(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000299782510 210026861 /nfs/dbraw/zinc/02/68/61/210026861.db2.gz MQCOLIVZALJKEE-UHFFFAOYSA-N 1 1 367.471 1.419 50 0 FDAAMO CO[C@]12CC[N@@H+](CCCn3nc(C)cc3C)[C@H]1C[C@H](OCCO)CC2 ZINC000299780905 210025250 /nfs/dbraw/zinc/02/52/50/210025250.db2.gz CWKONCNOGVIUEQ-CEXWTWQISA-N 1 1 351.491 1.911 50 0 FDAAMO COc1ccc(NC(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)c(C)c1 ZINC000299774755 210020607 /nfs/dbraw/zinc/02/06/07/210020607.db2.gz IGWLAEQPXAYSFX-UHFFFAOYSA-N 1 1 360.458 1.868 50 0 FDAAMO CCN1CCN(CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)CC1 ZINC000299764346 210012767 /nfs/dbraw/zinc/01/27/67/210012767.db2.gz RTWLCPQPHVXXEJ-LJQANCHMSA-N 1 1 358.530 1.571 50 0 FDAAMO CCN1CCN(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC000299764346 210012771 /nfs/dbraw/zinc/01/27/71/210012771.db2.gz RTWLCPQPHVXXEJ-LJQANCHMSA-N 1 1 358.530 1.571 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cnc(N)nc1-c1ccccc1 ZINC000299761022 210011311 /nfs/dbraw/zinc/01/13/11/210011311.db2.gz TWWBFKVCFSEVQY-HOTGVXAUSA-N 1 1 355.442 1.563 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000299757829 210009466 /nfs/dbraw/zinc/00/94/66/210009466.db2.gz KCJISEJSZGIIHC-HZPDHXFCSA-N 1 1 373.409 1.385 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000299757829 210009463 /nfs/dbraw/zinc/00/94/63/210009463.db2.gz KCJISEJSZGIIHC-HZPDHXFCSA-N 1 1 373.409 1.385 50 0 FDAAMO C[N@@H+](CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1cnc2ccccn12 ZINC000243932533 222924728 /nfs/dbraw/zinc/92/47/28/222924728.db2.gz BXDJRECEQMHAKK-UHFFFAOYSA-N 1 1 364.409 1.965 50 0 FDAAMO CNc1cc(-c2ccc(C(=O)NCCn3c[nH+]c(C)c3C)cc2)nc(N)n1 ZINC000534577762 540384398 /nfs/dbraw/zinc/38/43/98/540384398.db2.gz BAOJQAFZRIZVRV-UHFFFAOYSA-N 1 1 365.441 1.433 50 0 FDAAMO CN1CC[C@@H](NC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)C1=O ZINC000534584987 540385502 /nfs/dbraw/zinc/38/55/02/540385502.db2.gz XGUOTAZTCAAMIK-GOSISDBHSA-N 1 1 356.470 1.102 50 0 FDAAMO COCc1noc(CNC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000534632459 540391533 /nfs/dbraw/zinc/39/15/33/540391533.db2.gz IWCOARHFOFPTNH-UHFFFAOYSA-N 1 1 365.459 1.695 50 0 FDAAMO O=C(NCC1(C[NH+]2CCOCC2)CC1)N1CCN(c2ccccc2)C(=O)C1 ZINC000534589018 540387213 /nfs/dbraw/zinc/38/72/13/540387213.db2.gz FJFMRTRBRGWGMJ-UHFFFAOYSA-N 1 1 372.469 1.157 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cnn(CC(=O)NC)c2)c1 ZINC000534666908 540397666 /nfs/dbraw/zinc/39/76/66/540397666.db2.gz CVDJZFDJFPOVRL-GOSISDBHSA-N 1 1 369.469 1.510 50 0 FDAAMO COc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)NC2CCN(C(C)=O)CC2)cc1 ZINC000059406131 212016930 /nfs/dbraw/zinc/01/69/30/212016930.db2.gz ALSGEHGDGKOFHF-IBGZPJMESA-N 1 1 373.497 1.829 50 0 FDAAMO CC(C)[N@H+]1CC[C@H](C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000055270435 211943002 /nfs/dbraw/zinc/94/30/02/211943002.db2.gz DKUIVQNJLFCWAB-ZDUSSCGKSA-N 1 1 373.906 1.465 50 0 FDAAMO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000085436627 211885157 /nfs/dbraw/zinc/88/51/57/211885157.db2.gz NESPQKFPRDSIRZ-HNNXBMFYSA-N 1 1 353.260 1.978 50 0 FDAAMO CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3Cn3cccn3)C[C@H]2O)CC1 ZINC000023358452 211383718 /nfs/dbraw/zinc/38/37/18/211383718.db2.gz OIOLKTSFHLHJAS-NHCUHLMSSA-N 1 1 369.513 1.114 50 0 FDAAMO CCCn1ncc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)c1C ZINC000022853307 211364318 /nfs/dbraw/zinc/36/43/18/211364318.db2.gz LXAFEUINGRLKNP-HXUWFJFHSA-N 1 1 363.550 1.564 50 0 FDAAMO CCCn1ncc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)c1C ZINC000022853307 211364327 /nfs/dbraw/zinc/36/43/27/211364327.db2.gz LXAFEUINGRLKNP-HXUWFJFHSA-N 1 1 363.550 1.564 50 0 FDAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020568038 211287798 /nfs/dbraw/zinc/28/77/98/211287798.db2.gz YOSUPPJBJBYHTC-LBPRGKRZSA-N 1 1 359.879 1.269 50 0 FDAAMO C[N@H+]1CCCN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000020137199 211268847 /nfs/dbraw/zinc/26/88/47/211268847.db2.gz DJXRFKJHUNPXJQ-CQSZACIVSA-N 1 1 366.259 1.719 50 0 FDAAMO COC(=O)CCCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339477 211158277 /nfs/dbraw/zinc/15/82/77/211158277.db2.gz WESCLQBSTGONOG-OAHLLOKOSA-N 1 1 362.426 1.664 50 0 FDAAMO COC(=O)CCCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339477 211158282 /nfs/dbraw/zinc/15/82/82/211158282.db2.gz WESCLQBSTGONOG-OAHLLOKOSA-N 1 1 362.426 1.664 50 0 FDAAMO COC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339478 211158113 /nfs/dbraw/zinc/15/81/13/211158113.db2.gz WESCLQBSTGONOG-HNNXBMFYSA-N 1 1 362.426 1.664 50 0 FDAAMO COC(=O)CCCNC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339478 211158119 /nfs/dbraw/zinc/15/81/19/211158119.db2.gz WESCLQBSTGONOG-HNNXBMFYSA-N 1 1 362.426 1.664 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)CCSC)CC2)CC1 ZINC000015064858 211116906 /nfs/dbraw/zinc/11/69/06/211116906.db2.gz FRGSDGBQIRJVTO-UHFFFAOYSA-N 1 1 355.548 1.922 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000014915481 211103598 /nfs/dbraw/zinc/10/35/98/211103598.db2.gz QZTJICFPDRZOHI-RYUDHWBXSA-N 1 1 360.414 1.458 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000014915481 211103606 /nfs/dbraw/zinc/10/36/06/211103606.db2.gz QZTJICFPDRZOHI-RYUDHWBXSA-N 1 1 360.414 1.458 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCC1(O)CCCCC1 ZINC000014952104 211106478 /nfs/dbraw/zinc/10/64/78/211106478.db2.gz ADSMCPWWMZBCLQ-GOSISDBHSA-N 1 1 373.497 1.231 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCC1(O)CCCCC1 ZINC000014952104 211106483 /nfs/dbraw/zinc/10/64/83/211106483.db2.gz ADSMCPWWMZBCLQ-GOSISDBHSA-N 1 1 373.497 1.231 50 0 FDAAMO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([N@@H+](C)CCO)CC2 ZINC000014749770 211100209 /nfs/dbraw/zinc/10/02/09/211100209.db2.gz SYXMCBONPZYCPJ-INIZCTEOSA-N 1 1 356.470 1.267 50 0 FDAAMO COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)C(C)C)CC2)cc1 ZINC000014202079 211084976 /nfs/dbraw/zinc/08/49/76/211084976.db2.gz VISSMUBQWPZXGZ-QGZVFWFLSA-N 1 1 350.459 1.373 50 0 FDAAMO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(OC)cc1 ZINC000013371610 211033231 /nfs/dbraw/zinc/03/32/31/211033231.db2.gz PRJPCTKDZIUKFE-GJZGRUSLSA-N 1 1 361.485 1.024 50 0 FDAAMO CC(C)N(C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000048273829 221003992 /nfs/dbraw/zinc/00/39/92/221003992.db2.gz FVRRPTPLNZVXQS-KBPBESRZSA-N 1 1 370.494 1.927 50 0 FDAAMO COCC[NH+]1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000058344083 221114251 /nfs/dbraw/zinc/11/42/51/221114251.db2.gz JUTSPSKWNJHQHI-AWEZNQCLSA-N 1 1 357.462 1.522 50 0 FDAAMO CC[N@H+](CCC(=O)Nc1nnc(C2CC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000065375683 221206063 /nfs/dbraw/zinc/20/60/63/221206063.db2.gz MCPXKXUUOYQCEE-NSHDSACASA-N 1 1 358.489 1.253 50 0 FDAAMO CC[N@@H+](CCC(=O)Nc1nnc(C2CC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000065375683 221206064 /nfs/dbraw/zinc/20/60/64/221206064.db2.gz MCPXKXUUOYQCEE-NSHDSACASA-N 1 1 358.489 1.253 50 0 FDAAMO COc1ccc2[nH]c(=O)c(CCC(=O)NCCC[NH+]3CCOCC3)cc2c1 ZINC000065245504 221186043 /nfs/dbraw/zinc/18/60/43/221186043.db2.gz HMUQCWSIZSDIGB-UHFFFAOYSA-N 1 1 373.453 1.308 50 0 FDAAMO NC(=O)COc1ccccc1C[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC000065406168 221213147 /nfs/dbraw/zinc/21/31/47/221213147.db2.gz RTVSPHDDGIFMHG-UHFFFAOYSA-N 1 1 361.833 1.316 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1 ZINC000067602045 221261048 /nfs/dbraw/zinc/26/10/48/221261048.db2.gz GOKCVAMLQHSVKH-UHFFFAOYSA-N 1 1 359.879 1.514 50 0 FDAAMO COc1ccc(-c2nc(C[N@H+](C)C[C@@H](O)CO)c(C)o2)c(OC)c1C ZINC000067690674 221272019 /nfs/dbraw/zinc/27/20/19/221272019.db2.gz SGXVIBORCIVNQH-CYBMUJFWSA-N 1 1 350.415 1.761 50 0 FDAAMO COc1ccc(-c2nc(C[N@@H+](C)C[C@@H](O)CO)c(C)o2)c(OC)c1C ZINC000067690674 221272022 /nfs/dbraw/zinc/27/20/22/221272022.db2.gz SGXVIBORCIVNQH-CYBMUJFWSA-N 1 1 350.415 1.761 50 0 FDAAMO O=C(NC[C@@H](O)CO)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067714148 221275012 /nfs/dbraw/zinc/27/50/12/221275012.db2.gz AZCLGVFXEJYZCY-QGZVFWFLSA-N 1 1 373.453 1.212 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(c1nc(N3CCC(O)CC3)cc[nH+]1)C2 ZINC000067742139 221280005 /nfs/dbraw/zinc/28/00/05/221280005.db2.gz SZTKELLAWJRRNO-UHFFFAOYSA-N 1 1 354.458 1.946 50 0 FDAAMO CNC(=O)CC[N@@H+](C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067868436 221296699 /nfs/dbraw/zinc/29/66/99/221296699.db2.gz ZRJQGPDRTLTOKN-IBGZPJMESA-N 1 1 353.507 1.378 50 0 FDAAMO C[C@H]1CCCC[N@H+]1CCN(C)C(=O)c1cc(CN2CCOCC2)on1 ZINC000067954731 221308215 /nfs/dbraw/zinc/30/82/15/221308215.db2.gz SKJHXXDYDROCHH-HNNXBMFYSA-N 1 1 350.463 1.453 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)C1 ZINC000068544336 221317232 /nfs/dbraw/zinc/31/72/32/221317232.db2.gz WZDWTKPIJDSLFQ-CQSZACIVSA-N 1 1 359.434 1.061 50 0 FDAAMO CCn1cc2[nH]c(OC)c(CNC(=O)C[C@@H]3CCCC[N@H+]3C)cc-2c1=O ZINC000071681637 221353248 /nfs/dbraw/zinc/35/32/48/221353248.db2.gz KXEVNIBWLJVZAY-AWEZNQCLSA-N 1 1 360.458 1.557 50 0 FDAAMO O=C(CC[N@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000071745387 221358103 /nfs/dbraw/zinc/35/81/03/221358103.db2.gz YAOQKWFCMJDKIJ-AWEZNQCLSA-N 1 1 371.441 1.272 50 0 FDAAMO O=C(NCCc1c[nH]cn1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071748101 221359293 /nfs/dbraw/zinc/35/92/93/221359293.db2.gz PRLLORFBIUXBHG-INIZCTEOSA-N 1 1 373.501 1.181 50 0 FDAAMO O=C(NCCc1cnc[nH]1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071748101 221359295 /nfs/dbraw/zinc/35/92/95/221359295.db2.gz PRLLORFBIUXBHG-INIZCTEOSA-N 1 1 373.501 1.181 50 0 FDAAMO O=C(NCCc1cnc[nH]1)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071748101 221359297 /nfs/dbraw/zinc/35/92/97/221359297.db2.gz PRLLORFBIUXBHG-INIZCTEOSA-N 1 1 373.501 1.181 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000071751323 221362751 /nfs/dbraw/zinc/36/27/51/221362751.db2.gz QLPIPRQVTDDCPS-HNNXBMFYSA-N 1 1 363.458 1.359 50 0 FDAAMO O=C(CO)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071775713 221375253 /nfs/dbraw/zinc/37/52/53/221375253.db2.gz AQVFOPFKQYECNC-SFHVURJKSA-N 1 1 373.497 1.041 50 0 FDAAMO CC(=O)N1CC[N@H+](C2CCN(c3cccc(Cl)c3)CC2)C[C@H](O)C1 ZINC000092001696 132205305 /nfs/dbraw/zinc/20/53/05/132205305.db2.gz FRSZEXQHHAPPGB-GOSISDBHSA-N 1 1 351.878 1.834 50 0 FDAAMO CCc1cc(N2CCC([NH2+]Cc3ccon3)CC2)nc(N2CCOCC2)n1 ZINC000095508166 132212948 /nfs/dbraw/zinc/21/29/48/132212948.db2.gz GNYUVLFAUSURLE-UHFFFAOYSA-N 1 1 372.473 1.622 50 0 FDAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCC[N@@H+](C)C3)cc21 ZINC000097212559 132228034 /nfs/dbraw/zinc/22/80/34/132228034.db2.gz UZZOHXCCBLIPNG-HNNXBMFYSA-N 1 1 351.472 1.358 50 0 FDAAMO CC(=O)N1CCCc2ccc(S(=O)(=O)N[C@H]3CCC[N@H+](C)C3)cc21 ZINC000097212559 132228035 /nfs/dbraw/zinc/22/80/35/132228035.db2.gz UZZOHXCCBLIPNG-HNNXBMFYSA-N 1 1 351.472 1.358 50 0 FDAAMO O[C@H](c1ccccn1)C1CC[NH+](Cc2cnc(N3CCOCC3)nc2)CC1 ZINC000215620684 132270156 /nfs/dbraw/zinc/27/01/56/132270156.db2.gz YSDNODLJHUXECE-IBGZPJMESA-N 1 1 369.469 1.654 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccc(F)cc1 ZINC000031038757 136117345 /nfs/dbraw/zinc/11/73/45/136117345.db2.gz APVWNVNOCICBQQ-UHFFFAOYSA-N 1 1 372.448 1.627 50 0 FDAAMO NC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000040071609 136119155 /nfs/dbraw/zinc/11/91/55/136119155.db2.gz ZGIRBZVAMGTPII-QGZVFWFLSA-N 1 1 362.449 1.204 50 0 FDAAMO CCc1c(C)sc2ncnc(N3CC[C@@H]([NH+]4CCOCC4)[C@H](O)C3)c12 ZINC000071738656 136139780 /nfs/dbraw/zinc/13/97/80/136139780.db2.gz RQPLPGXPCZHXEP-HUUCEWRRSA-N 1 1 362.499 1.834 50 0 FDAAMO Nc1nc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)cc[nH+]1 ZINC000072457646 136148682 /nfs/dbraw/zinc/14/86/82/136148682.db2.gz XSUNBBGYNXTGCB-GOEBONIOSA-N 1 1 352.442 1.514 50 0 FDAAMO CCNC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)nc1 ZINC000072474878 136149204 /nfs/dbraw/zinc/14/92/04/136149204.db2.gz VLZFBXYOWGVWRL-LJQANCHMSA-N 1 1 368.481 1.905 50 0 FDAAMO O[C@@H](COCc1ccccc1Cl)C[NH+]1CCN(c2ncccn2)CC1 ZINC000023387189 136152842 /nfs/dbraw/zinc/15/28/42/136152842.db2.gz RIJGLNHSKRHKMT-MRXNPFEDSA-N 1 1 362.861 1.830 50 0 FDAAMO O=C(c1nnc2n1CCCC2)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091860630 221808219 /nfs/dbraw/zinc/80/82/19/221808219.db2.gz LNJOIQMSTPRTGJ-NVXWUHKLSA-N 1 1 366.469 1.746 50 0 FDAAMO O=C(c1nnc2n1CCCC2)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091860630 221808223 /nfs/dbraw/zinc/80/82/23/221808223.db2.gz LNJOIQMSTPRTGJ-NVXWUHKLSA-N 1 1 366.469 1.746 50 0 FDAAMO CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000095371184 221871962 /nfs/dbraw/zinc/87/19/62/221871962.db2.gz BIEDPKFSGISPEQ-WOJBJXKFSA-N 1 1 359.514 1.738 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCC2)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095479422 221920138 /nfs/dbraw/zinc/92/01/38/221920138.db2.gz RDXVBAIHHKNSAS-UHFFFAOYSA-N 1 1 351.450 1.946 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000095527922 221953239 /nfs/dbraw/zinc/95/32/39/221953239.db2.gz XVAYJHJALLLSHY-SFHVURJKSA-N 1 1 367.453 1.531 50 0 FDAAMO Cn1c(=O)c(C(=O)c2ccccc2Cl)c(C[NH+]2CCCC2)n(C)c1=O ZINC000096536562 222123991 /nfs/dbraw/zinc/12/39/91/222123991.db2.gz XDXGSMXUUQTFEG-UHFFFAOYSA-N 1 1 361.829 1.564 50 0 FDAAMO COCC[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000097156009 222164152 /nfs/dbraw/zinc/16/41/52/222164152.db2.gz XOZIAOLIWVGGMO-QGZVFWFLSA-N 1 1 361.486 1.441 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000097156009 222164155 /nfs/dbraw/zinc/16/41/55/222164155.db2.gz XOZIAOLIWVGGMO-QGZVFWFLSA-N 1 1 361.486 1.441 50 0 FDAAMO COCC[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000097156006 222164964 /nfs/dbraw/zinc/16/49/64/222164964.db2.gz XOZIAOLIWVGGMO-KRWDZBQOSA-N 1 1 361.486 1.441 50 0 FDAAMO COCC[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000097156006 222164968 /nfs/dbraw/zinc/16/49/68/222164968.db2.gz XOZIAOLIWVGGMO-KRWDZBQOSA-N 1 1 361.486 1.441 50 0 FDAAMO C[C@H](CCNC(=O)c1cnc2c(F)cccc2c1O)N1CC[NH+](C)CC1 ZINC000097179487 222166926 /nfs/dbraw/zinc/16/69/26/222166926.db2.gz JYUHTELEEXCKAD-CYBMUJFWSA-N 1 1 360.433 1.423 50 0 FDAAMO C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000097617844 222199413 /nfs/dbraw/zinc/19/94/13/222199413.db2.gz URRBGIPEOKOSIR-UHFFFAOYSA-N 1 1 351.472 1.249 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3nc(C(N)=O)cs3)C[C@H]2CCO)cc1 ZINC000106990770 222390023 /nfs/dbraw/zinc/39/00/23/222390023.db2.gz QCSMPTSTFNFZGG-OAHLLOKOSA-N 1 1 360.483 1.624 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3nc(C(N)=O)cs3)C[C@H]2CCO)cc1 ZINC000106990770 222390027 /nfs/dbraw/zinc/39/00/27/222390027.db2.gz QCSMPTSTFNFZGG-OAHLLOKOSA-N 1 1 360.483 1.624 50 0 FDAAMO CCn1nccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000375224360 261292048 /nfs/dbraw/zinc/29/20/48/261292048.db2.gz NEIHRKDFJKSVQP-UHFFFAOYSA-N 1 1 366.462 1.985 50 0 FDAAMO CN(Cc1nc(C2CC2)no1)C(=O)NCC1([NH+]2CCOCC2)CCCC1 ZINC000426489470 263604362 /nfs/dbraw/zinc/60/43/62/263604362.db2.gz BUMCSKJVIJQNCY-UHFFFAOYSA-N 1 1 363.462 1.733 50 0 FDAAMO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCN1CCc2ccccc2C1 ZINC000426684409 263657013 /nfs/dbraw/zinc/65/70/13/263657013.db2.gz KVFRAEXLPYZWIB-GOSISDBHSA-N 1 1 367.497 1.525 50 0 FDAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000028727164 518178799 /nfs/dbraw/zinc/17/87/99/518178799.db2.gz INDDLTSXQOJIFD-AWEZNQCLSA-N 1 1 373.478 1.916 50 0 FDAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000028727164 518178800 /nfs/dbraw/zinc/17/88/00/518178800.db2.gz INDDLTSXQOJIFD-AWEZNQCLSA-N 1 1 373.478 1.916 50 0 FDAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2ccccn2)CC1 ZINC000007856044 518440474 /nfs/dbraw/zinc/44/04/74/518440474.db2.gz YEFUBRZBKVNBJY-GOSISDBHSA-N 1 1 353.470 1.906 50 0 FDAAMO CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(C)cc2)n(C)c1=O ZINC000008725396 518484372 /nfs/dbraw/zinc/48/43/72/518484372.db2.gz KIEOLRWPZGUJPT-UHFFFAOYSA-N 1 1 366.425 1.621 50 0 FDAAMO Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4[nH+]ccn4C)CC3)CC2=O)cc1 ZINC000011027471 518549706 /nfs/dbraw/zinc/54/97/06/518549706.db2.gz NGBQZHBYGKTRHN-INIZCTEOSA-N 1 1 367.453 1.430 50 0 FDAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccccc1)CC2)C(C)C ZINC000011872821 518575717 /nfs/dbraw/zinc/57/57/17/518575717.db2.gz WRHPMHDPGXSGBD-IBGZPJMESA-N 1 1 371.485 1.796 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000011934283 518579349 /nfs/dbraw/zinc/57/93/49/518579349.db2.gz KMHYUFGSFZWQLJ-MRXNPFEDSA-N 1 1 363.425 1.908 50 0 FDAAMO CCn1cc[nH+]c1N1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 ZINC000012444603 518614593 /nfs/dbraw/zinc/61/45/93/518614593.db2.gz DGKSDTPLQNMGLP-UHFFFAOYSA-N 1 1 358.442 1.812 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000012735687 518630278 /nfs/dbraw/zinc/63/02/78/518630278.db2.gz RJWOUSVYSQIGSE-CQSZACIVSA-N 1 1 351.447 1.505 50 0 FDAAMO Cc1cc(N2CC[NH+](CCO)CC2)n2nc(-c3ccccc3C)nc2n1 ZINC000021173735 518867382 /nfs/dbraw/zinc/86/73/82/518867382.db2.gz XMZASSWLWXQJFU-UHFFFAOYSA-N 1 1 352.442 1.522 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000021793596 518881627 /nfs/dbraw/zinc/88/16/27/518881627.db2.gz KZDUWBNMWSYOGW-UHFFFAOYSA-N 1 1 369.425 1.542 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(N2CCOCC2)ccn1 ZINC000024061566 518974948 /nfs/dbraw/zinc/97/49/48/518974948.db2.gz SYXRODZHMZRVHS-GOSISDBHSA-N 1 1 366.465 1.923 50 0 FDAAMO NC(=O)CCS(=O)(=O)CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025401293 519060306 /nfs/dbraw/zinc/06/03/06/519060306.db2.gz VWJQKGXIAAHYQY-LJQANCHMSA-N 1 1 372.490 1.924 50 0 FDAAMO NC(=O)CCS(=O)(=O)CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025401293 519060311 /nfs/dbraw/zinc/06/03/11/519060311.db2.gz VWJQKGXIAAHYQY-LJQANCHMSA-N 1 1 372.490 1.924 50 0 FDAAMO C[N@@H+](CCOc1ccc(F)cc1)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000027373393 519173237 /nfs/dbraw/zinc/17/32/37/519173237.db2.gz DPCJWMUOZFDLQF-UHFFFAOYSA-N 1 1 368.430 1.863 50 0 FDAAMO Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000028015542 519214102 /nfs/dbraw/zinc/21/41/02/519214102.db2.gz LUFGFABXYGRWOI-GOSISDBHSA-N 1 1 361.486 1.506 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2ncc3ccccc3c2=O)[C@@H](c2ccccc2)C1 ZINC000029803383 519321889 /nfs/dbraw/zinc/32/18/89/519321889.db2.gz LTLDXGUJRPYNLE-LJQANCHMSA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2ncc3ccccc3c2=O)[C@@H](c2ccccc2)C1 ZINC000029803383 519321896 /nfs/dbraw/zinc/32/18/96/519321896.db2.gz LTLDXGUJRPYNLE-LJQANCHMSA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@@H+]1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](c2ccccc2)C1 ZINC000030030011 519344152 /nfs/dbraw/zinc/34/41/52/519344152.db2.gz QATVTYSKNRVEMY-SFHVURJKSA-N 1 1 352.438 1.984 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc(CNC(N)=O)cc2)[C@H](c2ccccc2)C1 ZINC000030030011 519344158 /nfs/dbraw/zinc/34/41/58/519344158.db2.gz QATVTYSKNRVEMY-SFHVURJKSA-N 1 1 352.438 1.984 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3nc(CC)sc3n2)C1 ZINC000032758258 519534269 /nfs/dbraw/zinc/53/42/69/519534269.db2.gz KYAMZQLRZAYOOE-LLVKDONJSA-N 1 1 350.444 1.489 50 0 FDAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3nc(CC)sc3n2)C1 ZINC000032758258 519534278 /nfs/dbraw/zinc/53/42/78/519534278.db2.gz KYAMZQLRZAYOOE-LLVKDONJSA-N 1 1 350.444 1.489 50 0 FDAAMO C[N@@H+](CCCNC(=O)c1cnc2ccccn2c1=O)Cc1ccccc1 ZINC000032900109 519549513 /nfs/dbraw/zinc/54/95/13/519549513.db2.gz CEQGOYAYZGFEPO-UHFFFAOYSA-N 1 1 350.422 1.946 50 0 FDAAMO O=C(CCCn1cnc2ccccc2c1=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000032912046 519550236 /nfs/dbraw/zinc/55/02/36/519550236.db2.gz DMXUUGPKLCNPCT-OAHLLOKOSA-N 1 1 354.454 1.777 50 0 FDAAMO CCc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000034916349 519597808 /nfs/dbraw/zinc/59/78/08/519597808.db2.gz CUXFSZUBCWPRSD-KRWDZBQOSA-N 1 1 359.470 1.440 50 0 FDAAMO Cc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035876722 519611457 /nfs/dbraw/zinc/61/14/57/519611457.db2.gz NTQMPZXGYNPKCJ-HNAYVOBHSA-N 1 1 351.450 1.830 50 0 FDAAMO CCCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082127550 519883437 /nfs/dbraw/zinc/88/34/37/519883437.db2.gz BUUKJDNMEYMJBZ-MRXNPFEDSA-N 1 1 366.506 1.141 50 0 FDAAMO CCOc1ccc(CCNC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2O)cc1OCC ZINC000241144920 520948628 /nfs/dbraw/zinc/94/86/28/520948628.db2.gz JUBQIDDHXXQMGK-DLBZAZTESA-N 1 1 364.486 1.988 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCSC2=O)C1 ZINC000241317023 521051947 /nfs/dbraw/zinc/05/19/47/521051947.db2.gz LXDHMKFQXLRSCU-MJBXVCDLSA-N 1 1 355.504 1.152 50 0 FDAAMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H]2CCSC2=O)C1 ZINC000241317023 521051955 /nfs/dbraw/zinc/05/19/55/521051955.db2.gz LXDHMKFQXLRSCU-MJBXVCDLSA-N 1 1 355.504 1.152 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cccc(C)n2)C[C@@H]1NC(=O)CN1CCCC1=O ZINC000091707107 521220784 /nfs/dbraw/zinc/22/07/84/521220784.db2.gz PIOSLTAYNXYNTE-WMZOPIPTSA-N 1 1 358.486 1.729 50 0 FDAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020387565 521595832 /nfs/dbraw/zinc/59/58/32/521595832.db2.gz IJJJAEGTJWZCDO-KRWDZBQOSA-N 1 1 364.490 1.788 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)C[C@H]2Oc3ccc(C)cc3NC2=O)CC1 ZINC000020379806 521679436 /nfs/dbraw/zinc/67/94/36/521679436.db2.gz VLYFWSBFWCWQNA-GOSISDBHSA-N 1 1 374.485 1.228 50 0 FDAAMO C[N@H+]1CCCN(c2ccc(CNC(=O)c3cc(C4CC4)n[nH]3)cn2)CC1 ZINC000069598056 521921539 /nfs/dbraw/zinc/92/15/39/521921539.db2.gz HKAJASBHTYGTOL-UHFFFAOYSA-N 1 1 354.458 1.754 50 0 FDAAMO Cc1ccccc1C(=O)NCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000045076676 522035256 /nfs/dbraw/zinc/03/52/56/522035256.db2.gz QPMCFGUDGYKJHR-UHFFFAOYSA-N 1 1 351.450 1.899 50 0 FDAAMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)cc1 ZINC000079074970 522091160 /nfs/dbraw/zinc/09/11/60/522091160.db2.gz ADAALXWDAQRDOA-UHFFFAOYSA-N 1 1 362.426 1.887 50 0 FDAAMO CN(C)C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071755247 522127744 /nfs/dbraw/zinc/12/77/44/522127744.db2.gz HOIQOKKTCALCRY-KRWDZBQOSA-N 1 1 373.501 1.556 50 0 FDAAMO O=C(NCc1cccnc1)[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000072128915 522158267 /nfs/dbraw/zinc/15/82/67/522158267.db2.gz FRAXKQIIZOFHRL-INIZCTEOSA-N 1 1 364.409 1.226 50 0 FDAAMO CN1CCCNC(=O)C12CCN(C(=O)c1ccccc1[C@@H]1CC[NH2+]C1)CC2 ZINC000072155991 522183155 /nfs/dbraw/zinc/18/31/55/522183155.db2.gz QZEFQRFCMSVHAS-MRXNPFEDSA-N 1 1 370.497 1.190 50 0 FDAAMO CCOCCC[NH2+]CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000058124326 522209615 /nfs/dbraw/zinc/20/96/15/522209615.db2.gz GWEZBRPXPFGYCP-QGZVFWFLSA-N 1 1 361.442 1.874 50 0 FDAAMO CCc1nc(CN2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)no1 ZINC000072308647 522211275 /nfs/dbraw/zinc/21/12/75/522211275.db2.gz MMWJCLJGGFPCFR-UHFFFAOYSA-N 1 1 361.421 1.918 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000058145810 522212077 /nfs/dbraw/zinc/21/20/77/522212077.db2.gz ZTQNOUQAJBDHMO-AWEZNQCLSA-N 1 1 373.425 1.068 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000058145810 522212085 /nfs/dbraw/zinc/21/20/85/522212085.db2.gz ZTQNOUQAJBDHMO-AWEZNQCLSA-N 1 1 373.425 1.068 50 0 FDAAMO CC(C)N(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000046140815 522233951 /nfs/dbraw/zinc/23/39/51/522233951.db2.gz PVPFVAYVSGTLGV-UHFFFAOYSA-N 1 1 373.906 1.426 50 0 FDAAMO CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)C1 ZINC000072419753 522249959 /nfs/dbraw/zinc/24/99/59/522249959.db2.gz IKUBDVMXRWCXIH-IBGZPJMESA-N 1 1 361.442 1.570 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072420003 522250683 /nfs/dbraw/zinc/25/06/83/522250683.db2.gz ASCTWQKJMREHSX-INIZCTEOSA-N 1 1 370.501 1.546 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2NCC[N@H+]1CCCC[C@@H]1CO ZINC000072423116 522257178 /nfs/dbraw/zinc/25/71/78/522257178.db2.gz CUIUCZHDKJVUFJ-OAHLLOKOSA-N 1 1 367.457 1.684 50 0 FDAAMO Cn1cc(CNc2nc(N)nc3c2CC[N@@H+](Cc2ccco2)CC3)cn1 ZINC000072423115 522257365 /nfs/dbraw/zinc/25/73/65/522257365.db2.gz FZOYXRXUCRWGQP-UHFFFAOYSA-N 1 1 353.430 1.598 50 0 FDAAMO NC(=O)N1CCC[C@@H]1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072458864 522287185 /nfs/dbraw/zinc/28/71/85/522287185.db2.gz FFGJVMMHWWPJJY-GOSISDBHSA-N 1 1 356.470 1.579 50 0 FDAAMO Cc1nc2c(c(NC[C@@H]3CCCO3)n1)CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000072473677 522293354 /nfs/dbraw/zinc/29/33/54/522293354.db2.gz PTUFMJOVSTWOSX-INIZCTEOSA-N 1 1 356.474 1.710 50 0 FDAAMO CSCCC[N@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072479792 522304902 /nfs/dbraw/zinc/30/49/02/522304902.db2.gz GXDJRUYIYLFTFZ-OAHLLOKOSA-N 1 1 367.563 1.704 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000049524434 522844750 /nfs/dbraw/zinc/84/47/50/522844750.db2.gz BMOGMSQOLHLJGE-UHFFFAOYSA-N 1 1 369.425 1.463 50 0 FDAAMO CCCS(=O)(=O)NC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000066045270 522939272 /nfs/dbraw/zinc/93/92/72/522939272.db2.gz NUJFIRPCLAYAFV-QGZVFWFLSA-N 1 1 367.515 1.610 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C[C@H]1O)c1cnccn1 ZINC000077285358 523284853 /nfs/dbraw/zinc/28/48/53/523284853.db2.gz CEGVXEPWCRZQDV-NVXWUHKLSA-N 1 1 352.394 1.588 50 0 FDAAMO O=C(C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1)NC1CC1 ZINC000077287925 523286795 /nfs/dbraw/zinc/28/67/95/523286795.db2.gz QLTACDVVXWGWRV-NRFANRHFSA-N 1 1 370.497 1.607 50 0 FDAAMO CC(C)C[N@@H+](C)CCN1CC2(CCN(C(=O)[C@H]3CCCO3)CC2)OC1=O ZINC000077319043 523295115 /nfs/dbraw/zinc/29/51/15/523295115.db2.gz BOIRLPDZHXEHLO-MRXNPFEDSA-N 1 1 367.490 1.567 50 0 FDAAMO CCc1[nH+]ccn1CCCNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2 ZINC000077322531 523295865 /nfs/dbraw/zinc/29/58/65/523295865.db2.gz RCFRXEWBWXWHRD-UHFFFAOYSA-N 1 1 371.489 1.708 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCC[N@@H+](CCCC(N)=O)C3)CCC2=O)cn1 ZINC000077378924 523313931 /nfs/dbraw/zinc/31/39/31/523313931.db2.gz YPMMBEZFDXHZFH-LJQANCHMSA-N 1 1 359.474 1.255 50 0 FDAAMO CC[C@@H](C)C(=O)N1CCC2(CN(CC[N@@H+](C)CCOC)C(=O)O2)CC1 ZINC000077424561 523332287 /nfs/dbraw/zinc/33/22/87/523332287.db2.gz NDWWDNZDFDTUKN-OAHLLOKOSA-N 1 1 355.479 1.424 50 0 FDAAMO COc1c[nH]c(C[N@H+]2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc1=O ZINC000077437259 523333956 /nfs/dbraw/zinc/33/39/56/523333956.db2.gz ARGPDOGTXLANIZ-HXUWFJFHSA-N 1 1 359.470 1.998 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CC2 ZINC000067541367 523486905 /nfs/dbraw/zinc/48/69/05/523486905.db2.gz NTKMFVHXFANVLA-UHFFFAOYSA-N 1 1 353.470 1.929 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)C1 ZINC000067541367 523486917 /nfs/dbraw/zinc/48/69/17/523486917.db2.gz NTKMFVHXFANVLA-UHFFFAOYSA-N 1 1 353.470 1.929 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)CC2)C1 ZINC000067541367 523486929 /nfs/dbraw/zinc/48/69/29/523486929.db2.gz NTKMFVHXFANVLA-UHFFFAOYSA-N 1 1 353.470 1.929 50 0 FDAAMO COCCCn1c(CN(C)CC[NH+]2CCCCC2)cnc1S(C)(=O)=O ZINC000020774637 523498236 /nfs/dbraw/zinc/49/82/36/523498236.db2.gz LVGMWEIGUCOYOY-UHFFFAOYSA-N 1 1 372.535 1.241 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@H]1COCCO1 ZINC000068124756 523704948 /nfs/dbraw/zinc/70/49/48/523704948.db2.gz GHONZDUOJNLPHP-QGZVFWFLSA-N 1 1 367.877 1.384 50 0 FDAAMO Cc1cccc2c1ncn(CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c2=O ZINC000055404821 523807595 /nfs/dbraw/zinc/80/75/95/523807595.db2.gz LQTGMLRULLWKLO-HOCLYGCPSA-N 1 1 356.470 1.942 50 0 FDAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCC2)cc1 ZINC000055408376 523808754 /nfs/dbraw/zinc/80/87/54/523808754.db2.gz SGBLWZMUUWQPAD-HOTGVXAUSA-N 1 1 357.497 1.467 50 0 FDAAMO O=S(=O)(c1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CCCCC1 ZINC000055408355 523809503 /nfs/dbraw/zinc/80/95/03/523809503.db2.gz IHGSMRWNEYPNGB-HOTGVXAUSA-N 1 1 357.497 1.548 50 0 FDAAMO COCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 ZINC000020600293 523848628 /nfs/dbraw/zinc/84/86/28/523848628.db2.gz UYBJIZSOAGGPIC-KRWDZBQOSA-N 1 1 365.518 1.738 50 0 FDAAMO C[NH+]1CCN(C(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1 ZINC000020531660 523872941 /nfs/dbraw/zinc/87/29/41/523872941.db2.gz CMFGHXIKKYIABA-UHFFFAOYSA-N 1 1 359.382 1.361 50 0 FDAAMO O=C(Cn1ccc(=O)c2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000081033621 523934428 /nfs/dbraw/zinc/93/44/28/523934428.db2.gz UNLUDZUPFRADLS-UHFFFAOYSA-N 1 1 355.438 1.325 50 0 FDAAMO CSCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082157758 524216788 /nfs/dbraw/zinc/21/67/88/524216788.db2.gz PPMGULYJUNPXOJ-OAHLLOKOSA-N 1 1 353.532 1.675 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cccnc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000091493308 524717838 /nfs/dbraw/zinc/71/78/38/524717838.db2.gz JKZXZEGXYDAKBS-HXUWFJFHSA-N 1 1 356.470 1.631 50 0 FDAAMO Cc1nc(C(C)C)ncc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091563510 524728155 /nfs/dbraw/zinc/72/81/55/524728155.db2.gz JGLSNUZGJONYKF-LJQANCHMSA-N 1 1 359.474 1.335 50 0 FDAAMO CCn1ccc(C(=O)N[C@H]2C[N@H+](C3CCOCC3)C[C@@H]2C2CC2)cc1=O ZINC000091587147 524733526 /nfs/dbraw/zinc/73/35/26/524733526.db2.gz YVTZPQONVGVHMD-MSOLQXFVSA-N 1 1 359.470 1.487 50 0 FDAAMO Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(S(C)(=O)=O)CC1 ZINC000091593528 524736987 /nfs/dbraw/zinc/73/69/87/524736987.db2.gz GZFXQNSZJRCXIF-UHFFFAOYSA-N 1 1 355.508 1.330 50 0 FDAAMO Cc1[nH+]c(N2CCCC2)nc(N2CC[C@@]3(C2)CCCN(CCO)C3=O)c1C ZINC000091620477 524743005 /nfs/dbraw/zinc/74/30/05/524743005.db2.gz SOIWMZYLYZQACF-HXUWFJFHSA-N 1 1 373.501 1.505 50 0 FDAAMO C[N@H+]1CCN(Cc2ccccc2Cn2cccn2)C[C@]12CCNC(=O)CC2 ZINC000091707934 524765252 /nfs/dbraw/zinc/76/52/52/524765252.db2.gz LNEFDGBGAXAZQJ-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@]12CCNC(=O)CC2 ZINC000091707934 524765261 /nfs/dbraw/zinc/76/52/61/524765261.db2.gz LNEFDGBGAXAZQJ-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@]12CCNC(=O)CC2 ZINC000091707934 524765264 /nfs/dbraw/zinc/76/52/64/524765264.db2.gz LNEFDGBGAXAZQJ-NRFANRHFSA-N 1 1 367.497 1.718 50 0 FDAAMO Cc1ccc2nc(C[N@@H+]3CC[C@H](N4CCOCC4)[C@H](CCCO)C3)cn2c1 ZINC000091756217 524777364 /nfs/dbraw/zinc/77/73/64/524777364.db2.gz MTQLVLDZRHNEHK-QUCCMNQESA-N 1 1 372.513 1.938 50 0 FDAAMO Cc1ccc2nc(C[N@H+]3CC[C@H](N4CCOCC4)[C@H](CCCO)C3)cn2c1 ZINC000091756217 524777374 /nfs/dbraw/zinc/77/73/74/524777374.db2.gz MTQLVLDZRHNEHK-QUCCMNQESA-N 1 1 372.513 1.938 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000091829264 524793705 /nfs/dbraw/zinc/79/37/05/524793705.db2.gz NNSSSNNINIQSET-CVEARBPZSA-N 1 1 359.470 1.817 50 0 FDAAMO CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cn1c[nH+]c(C)c1C)CC2 ZINC000092046926 524835033 /nfs/dbraw/zinc/83/50/33/524835033.db2.gz RTHOLDDBYCFELH-UHFFFAOYSA-N 1 1 370.457 1.146 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2C1 ZINC000095352072 525026169 /nfs/dbraw/zinc/02/61/69/525026169.db2.gz DJSCIHRYJQAJKB-RDTXWAMCSA-N 1 1 370.852 1.911 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2C1 ZINC000095352072 525026176 /nfs/dbraw/zinc/02/61/76/525026176.db2.gz DJSCIHRYJQAJKB-RDTXWAMCSA-N 1 1 370.852 1.911 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)c1cccc(F)c1 ZINC000095362194 525036027 /nfs/dbraw/zinc/03/60/27/525036027.db2.gz XPHAELHJOINZKY-QGZVFWFLSA-N 1 1 361.417 1.474 50 0 FDAAMO CCOCCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095368045 525041196 /nfs/dbraw/zinc/04/11/96/525041196.db2.gz OODHGOQAABOVIC-IBGZPJMESA-N 1 1 351.491 1.348 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@H+](Cc3ccc4c(ccn4C)c3)C[C@@H]2CO)CC1 ZINC000095370630 525044250 /nfs/dbraw/zinc/04/42/50/525044250.db2.gz TUEBNALHQVZHQP-NHCUHLMSSA-N 1 1 370.541 1.856 50 0 FDAAMO CCN1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c(ccn4C)c3)C[C@@H]2CO)CC1 ZINC000095370630 525044263 /nfs/dbraw/zinc/04/42/63/525044263.db2.gz TUEBNALHQVZHQP-NHCUHLMSSA-N 1 1 370.541 1.856 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)c3cncc(Cl)c3)CC[N@H+]2C)CCC1=O ZINC000095372617 525046378 /nfs/dbraw/zinc/04/63/78/525046378.db2.gz PARCUUKXEMHXSL-KRWDZBQOSA-N 1 1 350.850 1.504 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2CO)CC1 ZINC000095378310 525052347 /nfs/dbraw/zinc/05/23/47/525052347.db2.gz PBBMAPQILGSXEM-HZPDHXFCSA-N 1 1 351.878 1.268 50 0 FDAAMO CCCCSc1nc(N2CCCN(CC(=O)N(C)C)CC2)cc(N)[nH+]1 ZINC000095383177 525058393 /nfs/dbraw/zinc/05/83/93/525058393.db2.gz ALBXRCLTBGJLNU-UHFFFAOYSA-N 1 1 366.535 1.551 50 0 FDAAMO COCC[N@H+](C)CCCC1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000095452455 525070547 /nfs/dbraw/zinc/07/05/47/525070547.db2.gz LGNWASFSVYRVCE-UHFFFAOYSA-N 1 1 370.538 1.681 50 0 FDAAMO COCC[N@@H+](C)CCCC1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000095452455 525070556 /nfs/dbraw/zinc/07/05/56/525070556.db2.gz LGNWASFSVYRVCE-UHFFFAOYSA-N 1 1 370.538 1.681 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCC(N2CCOC2=O)CC1 ZINC000095497697 525079837 /nfs/dbraw/zinc/07/98/37/525079837.db2.gz GBUXWDLQZGGRHM-HNNXBMFYSA-N 1 1 361.442 1.935 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)C[N@H+]1C1CCCC1 ZINC000095500131 525084125 /nfs/dbraw/zinc/08/41/25/525084125.db2.gz JQTKGGPJMWSLTE-RISCZKNCSA-N 1 1 369.416 1.530 50 0 FDAAMO CCN1CCN(C[C@H](O)COc2cccc(C[N@H+](C)CC3CC3)c2)CC1 ZINC000095507362 525091440 /nfs/dbraw/zinc/09/14/40/525091440.db2.gz WCMSBKOYJMVXRU-FQEVSTJZSA-N 1 1 361.530 1.906 50 0 FDAAMO CCN1CCN(C[C@H](O)COc2cccc(C[N@@H+](C)CC3CC3)c2)CC1 ZINC000095507362 525091448 /nfs/dbraw/zinc/09/14/48/525091448.db2.gz WCMSBKOYJMVXRU-FQEVSTJZSA-N 1 1 361.530 1.906 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)C1=NN(C)C(=O)CC1)CC2 ZINC000095515124 525095978 /nfs/dbraw/zinc/09/59/78/525095978.db2.gz AXQPZJYKAXMALD-UHFFFAOYSA-N 1 1 372.473 1.104 50 0 FDAAMO Nc1nc(CCC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)cs1 ZINC000095519849 525097666 /nfs/dbraw/zinc/09/76/66/525097666.db2.gz SBXVLVTVRVVJFY-MRXNPFEDSA-N 1 1 360.483 1.363 50 0 FDAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2c[nH]c(=O)cn2)C1 ZINC000095530543 525106814 /nfs/dbraw/zinc/10/68/14/525106814.db2.gz JSGJWQOYMBSTCG-KRWDZBQOSA-N 1 1 354.454 1.797 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(CO)o2)C[N@H+]1CC(C)C ZINC000096150609 525142028 /nfs/dbraw/zinc/14/20/28/525142028.db2.gz AFMXQAHNAHFIBW-ZBFHGGJFSA-N 1 1 365.474 1.469 50 0 FDAAMO Cc1ccc[nH+]c1NCCNC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000091321832 525544103 /nfs/dbraw/zinc/54/41/03/525544103.db2.gz NMQIEYWXIITREC-UHFFFAOYSA-N 1 1 351.410 1.637 50 0 FDAAMO Cc1nn(C)c2ncc(S(=O)(=O)N(C)CCCn3cc[nH+]c3C)cc12 ZINC000119070754 525627795 /nfs/dbraw/zinc/62/77/95/525627795.db2.gz XBOZTVWHSCVWDZ-UHFFFAOYSA-N 1 1 362.459 1.492 50 0 FDAAMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000170598031 525638980 /nfs/dbraw/zinc/63/89/80/525638980.db2.gz IGGZQKMKOWBNGZ-OAHLLOKOSA-N 1 1 358.486 1.791 50 0 FDAAMO CN1CC[N@H+](C)C[C@@H]1Cc1nc(Cc2cccc(Cl)c2)nn1CCO ZINC000108411454 525968449 /nfs/dbraw/zinc/96/84/49/525968449.db2.gz CNVWSLFCPLVAQA-INIZCTEOSA-N 1 1 363.893 1.303 50 0 FDAAMO CN1CC[N@@H+](C)C[C@@H]1Cc1nc(Cc2cccc(Cl)c2)nn1CCO ZINC000108411454 525968464 /nfs/dbraw/zinc/96/84/64/525968464.db2.gz CNVWSLFCPLVAQA-INIZCTEOSA-N 1 1 363.893 1.303 50 0 FDAAMO Cc1cccc2nc(CNC(=O)N3CC[NH+](C4CCOCC4)CC3)[nH]c21 ZINC000132567722 525977426 /nfs/dbraw/zinc/97/74/26/525977426.db2.gz KZVBPBGCTKJRJV-UHFFFAOYSA-N 1 1 357.458 1.878 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000091504888 526454348 /nfs/dbraw/zinc/45/43/48/526454348.db2.gz RHFLSNYLYXMXPZ-GOSISDBHSA-N 1 1 370.497 1.907 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000091504888 526454354 /nfs/dbraw/zinc/45/43/54/526454354.db2.gz RHFLSNYLYXMXPZ-GOSISDBHSA-N 1 1 370.497 1.907 50 0 FDAAMO O=C(CCN1CCCC1=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082107624 526483263 /nfs/dbraw/zinc/48/32/63/526483263.db2.gz ATXATZXHQQBQJQ-UHFFFAOYSA-N 1 1 373.501 1.660 50 0 FDAAMO O=C(CN1CCC(c2ccccc2)CC1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082096310 526730144 /nfs/dbraw/zinc/73/01/44/526730144.db2.gz YCGUUWJCKYAMFM-UHFFFAOYSA-N 1 1 353.470 1.482 50 0 FDAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000020507159 526771284 /nfs/dbraw/zinc/77/12/84/526771284.db2.gz OAKWPDVVQDHGLQ-UHFFFAOYSA-N 1 1 363.792 1.403 50 0 FDAAMO NC(=O)C1([NH2+]CC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000084613289 526852330 /nfs/dbraw/zinc/85/23/30/526852330.db2.gz XKEBFCQPCGGBNN-UHFFFAOYSA-N 1 1 356.451 1.920 50 0 FDAAMO NC(=O)C[N@@H+]1C[C@H](NC(=O)c2c[nH]nc2C2CCCCC2)[C@@H](C2CC2)C1 ZINC000091645382 526885818 /nfs/dbraw/zinc/88/58/18/526885818.db2.gz KPBCPOCKXLLKSI-CVEARBPZSA-N 1 1 359.474 1.383 50 0 FDAAMO NC(=O)C[N@H+]1C[C@H](NC(=O)c2c[nH]nc2C2CCCCC2)[C@@H](C2CC2)C1 ZINC000091645382 526885828 /nfs/dbraw/zinc/88/58/28/526885828.db2.gz KPBCPOCKXLLKSI-CVEARBPZSA-N 1 1 359.474 1.383 50 0 FDAAMO OCC[NH+]1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000020919447 527552628 /nfs/dbraw/zinc/55/26/28/527552628.db2.gz BWZWSOVDJBYKHQ-UHFFFAOYSA-N 1 1 370.375 1.789 50 0 FDAAMO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072408005 534966493 /nfs/dbraw/zinc/96/64/93/534966493.db2.gz DYNYWJAUYJXXHO-INIZCTEOSA-N 1 1 361.490 1.359 50 0 FDAAMO CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](c2cc(N3CCOCC3)ncn2)C1 ZINC000072408005 534966502 /nfs/dbraw/zinc/96/65/02/534966502.db2.gz DYNYWJAUYJXXHO-INIZCTEOSA-N 1 1 361.490 1.359 50 0 FDAAMO COc1ccnc(N2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)n1 ZINC000072454745 537117019 /nfs/dbraw/zinc/11/70/19/537117019.db2.gz QVZHNUSVBLXIOC-KRWDZBQOSA-N 1 1 372.469 1.875 50 0 FDAAMO COc1ccnc(N2CC[N@@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)n1 ZINC000072454745 537117022 /nfs/dbraw/zinc/11/70/22/537117022.db2.gz QVZHNUSVBLXIOC-KRWDZBQOSA-N 1 1 372.469 1.875 50 0 FDAAMO Cc1cc(C)n(C2CN(C(=O)[C@@H](c3ccc4c(c3)OCO4)[NH+](C)C)C2)n1 ZINC000220430197 537490398 /nfs/dbraw/zinc/49/03/98/537490398.db2.gz HDGPRCHTIHOUHN-GOSISDBHSA-N 1 1 356.426 1.915 50 0 FDAAMO CC1CCN(Cc2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)o2)CC1 ZINC000220714862 537493460 /nfs/dbraw/zinc/49/34/60/537493460.db2.gz DEXGTZSLLSHPIX-QXCFHYIPSA-N 1 1 361.486 1.959 50 0 FDAAMO C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)C1(CO)CCOCC1 ZINC000241409074 537647080 /nfs/dbraw/zinc/64/70/80/537647080.db2.gz NEKKDKWQXKFCMC-UHFFFAOYSA-N 1 1 372.469 1.021 50 0 FDAAMO Nc1nc(NC2CCN(Cc3ccncc3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244840216 537653677 /nfs/dbraw/zinc/65/36/77/537653677.db2.gz UIYNYCCDPRYOOG-GASCZTMLSA-N 1 1 353.474 1.735 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)N[C@H](C)c3ncnn3C)cc2C1 ZINC000584886332 551565216 /nfs/dbraw/zinc/56/52/16/551565216.db2.gz IYKYIDALIWGDDO-CYBMUJFWSA-N 1 1 360.466 1.188 50 0 FDAAMO CN(CC[C@@H](O)c1ccccc1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC000584896097 551566689 /nfs/dbraw/zinc/56/66/89/551566689.db2.gz COEYMKZNNRWPAG-GOSISDBHSA-N 1 1 362.518 1.778 50 0 FDAAMO Cc1nc(-c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cc2)n(C)n1 ZINC000584898047 551566989 /nfs/dbraw/zinc/56/69/89/551566989.db2.gz VITVPPWZBOAHMV-UHFFFAOYSA-N 1 1 369.469 1.727 50 0 FDAAMO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1COCC[NH2+]1 ZINC000237854803 570579835 /nfs/dbraw/zinc/57/98/35/570579835.db2.gz COFBDQOFWWGIIU-SNVBAGLBSA-N 1 1 353.728 1.237 50 0 FDAAMO COCC[N@H+]1CCC[C@]2(CCN(c3ccc(CS(C)(=O)=O)cn3)C2)C1 ZINC000426490445 570608177 /nfs/dbraw/zinc/60/81/77/570608177.db2.gz HLGZSSSCVYMINE-SFHVURJKSA-N 1 1 367.515 1.565 50 0 FDAAMO Cc1cccc2nc(CCNC(=O)N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)[nH]c21 ZINC000426490598 570608251 /nfs/dbraw/zinc/60/82/51/570608251.db2.gz MPZVNWJQOXVQEX-HOTGVXAUSA-N 1 1 357.458 1.264 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2cccc(-c3ccc(C(N)=O)cn3)c2)C1 ZINC000426571874 570616835 /nfs/dbraw/zinc/61/68/35/570616835.db2.gz ZWPKKULLYFTLPK-AWEZNQCLSA-N 1 1 368.437 1.156 50 0 FDAAMO O=C(C1CC1)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000244715796 571114985 /nfs/dbraw/zinc/11/49/85/571114985.db2.gz LCKZKEQXAXNWGV-LJQANCHMSA-N 1 1 370.497 1.907 50 0 FDAAMO O=C(C1CC1)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000244715796 571114987 /nfs/dbraw/zinc/11/49/87/571114987.db2.gz LCKZKEQXAXNWGV-LJQANCHMSA-N 1 1 370.497 1.907 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(OC)nc(N)n2)cc1 ZINC000426684537 571135511 /nfs/dbraw/zinc/13/55/11/571135511.db2.gz RJFZAGSPWOVUAP-HNNXBMFYSA-N 1 1 355.442 1.949 50 0 FDAAMO COCC[NH+]1CCN(C(=O)NCc2cnn(-c3cccc(OC)c3)c2)CC1 ZINC000426382589 571217330 /nfs/dbraw/zinc/21/73/30/571217330.db2.gz BXHXGTVJWKKISF-UHFFFAOYSA-N 1 1 373.457 1.355 50 0 FDAAMO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1n[nH]c(-c2ccccc2)n1 ZINC000426419901 571222637 /nfs/dbraw/zinc/22/26/37/571222637.db2.gz DACACYSYJKSWKP-HNNXBMFYSA-N 1 1 365.441 1.452 50 0 FDAAMO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1nc(-c2ccccc2)n[nH]1 ZINC000426419901 571222639 /nfs/dbraw/zinc/22/26/39/571222639.db2.gz DACACYSYJKSWKP-HNNXBMFYSA-N 1 1 365.441 1.452 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000426427896 571223828 /nfs/dbraw/zinc/22/38/28/571223828.db2.gz GMMJORRPXAZYNF-HOTGVXAUSA-N 1 1 362.430 1.872 50 0 FDAAMO COc1cc2c(cc1NC(=O)NCCCn1cc[nH+]c1C)n(C)c(=O)n2C ZINC000426465053 571226383 /nfs/dbraw/zinc/22/63/83/571226383.db2.gz BFYXTJPOONWERT-UHFFFAOYSA-N 1 1 372.429 1.602 50 0 FDAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@H+](CCOCCO)C2 ZINC000426518351 571229818 /nfs/dbraw/zinc/22/98/18/571229818.db2.gz QQJIKFRULHVPRS-IBGZPJMESA-N 1 1 368.424 1.788 50 0 FDAAMO Cc1ccc(OCCS(=O)(=O)NCC[N@H+]2CCCC[C@H]2CO)cc1 ZINC000670452917 571352908 /nfs/dbraw/zinc/35/29/08/571352908.db2.gz OTCQRJHSRKGWJG-INIZCTEOSA-N 1 1 356.488 1.140 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1 ZINC000670453924 571353432 /nfs/dbraw/zinc/35/34/32/571353432.db2.gz FWHUQRMETYZECU-LBPRGKRZSA-N 1 1 364.870 1.867 50 0 FDAAMO COCCN(C)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000012111790 670610845 /nfs/dbraw/zinc/61/08/45/670610845.db2.gz OBIZPFYDJGKKGU-QGZVFWFLSA-N 1 1 354.516 1.553 50 0 FDAAMO COCC[N@H+](C)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000012111790 670610851 /nfs/dbraw/zinc/61/08/51/670610851.db2.gz OBIZPFYDJGKKGU-QGZVFWFLSA-N 1 1 354.516 1.553 50 0 FDAAMO COCC[N@@H+](C)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000012111790 670610854 /nfs/dbraw/zinc/61/08/54/670610854.db2.gz OBIZPFYDJGKKGU-QGZVFWFLSA-N 1 1 354.516 1.553 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[N@@H+]1CC(C)(C)O ZINC000188798956 672298905 /nfs/dbraw/zinc/29/89/05/672298905.db2.gz MDVAJDGDJRQMIB-CYBMUJFWSA-N 1 1 367.471 1.435 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CC[N@H+]1CC(C)(C)O ZINC000188798956 672298907 /nfs/dbraw/zinc/29/89/07/672298907.db2.gz MDVAJDGDJRQMIB-CYBMUJFWSA-N 1 1 367.471 1.435 50 0 FDAAMO C[C@](O)(C[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161771 678073628 /nfs/dbraw/zinc/07/36/28/678073628.db2.gz KQYONHNMJMZUPT-STQMWFEESA-N 1 1 358.426 1.626 50 0 FDAAMO C[C@](O)(C[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161771 678073631 /nfs/dbraw/zinc/07/36/31/678073631.db2.gz KQYONHNMJMZUPT-STQMWFEESA-N 1 1 358.426 1.626 50 0 FDAAMO COC[C@]12CN(S(C)(=O)=O)C[C@H]1C[N@@H+](Cc1cnn(C(C)C)c1)CC2 ZINC000675020239 795237751 /nfs/dbraw/zinc/23/77/51/795237751.db2.gz CZQCZHBESHKFQR-SJORKVTESA-N 1 1 370.519 1.194 50 0 FDAAMO Cc1ccc2c(cccc2NC(=O)N2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000299768935 800167495 /nfs/dbraw/zinc/16/74/95/800167495.db2.gz NPMNINPNZCQBTJ-OALUTQOASA-N 1 1 369.469 1.368 50 0 FDAAMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccccc1Cl)CC2 ZINC000169751626 855147957 /nfs/dbraw/zinc/14/79/57/855147957.db2.gz YUVZDSNBELUBAF-UHFFFAOYSA-N 1 1 374.872 1.861 50 0 FDAAMO COc1cc(N2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)ncn1 ZINC000184440985 897670953 /nfs/dbraw/zinc/67/09/53/897670953.db2.gz BICOLUQYIPHVLP-UHFFFAOYSA-N 1 1 365.441 1.603 50 0 FDAAMO COCc1nnc([C@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2nccn2C)CC3)o1 ZINC000169787236 907106845 /nfs/dbraw/zinc/10/68/45/907106845.db2.gz DMLSOVMXUWRYIE-CYBMUJFWSA-N 1 1 374.445 1.249 50 0 FDAAMO COCc1nnc([C@H]2CC3(C[N@H+]2C)CCN(C(=O)c2nccn2C)CC3)o1 ZINC000169787236 907106857 /nfs/dbraw/zinc/10/68/57/907106857.db2.gz DMLSOVMXUWRYIE-CYBMUJFWSA-N 1 1 374.445 1.249 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2c3nonc3c(C)cc2C)C1 ZINC000824412415 922986441 /nfs/dbraw/zinc/98/64/41/922986441.db2.gz OSPQSAUCWLYTRP-ZDUSSCGKSA-N 1 1 368.459 1.086 50 0 FDAAMO O=C1CC[C@H]([N@H+]2CCOC3(CCN(Cc4nccs4)CC3)C2)CCN1 ZINC000828305432 924872708 /nfs/dbraw/zinc/87/27/08/924872708.db2.gz OHGZYPSFPHYNFA-HNNXBMFYSA-N 1 1 364.515 1.479 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1CO)c1cccnc1 ZINC000581798870 927582995 /nfs/dbraw/zinc/58/29/95/927582995.db2.gz AKVUBCNOSCSFGZ-RTBURBONSA-N 1 1 367.449 1.629 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1CO)c1cccnc1 ZINC000581798870 927583004 /nfs/dbraw/zinc/58/30/04/927583004.db2.gz AKVUBCNOSCSFGZ-RTBURBONSA-N 1 1 367.449 1.629 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1ccncc1)CC2 ZINC000581802678 927588354 /nfs/dbraw/zinc/58/83/54/927588354.db2.gz MPZVBTHJUWEOJS-SFHVURJKSA-N 1 1 358.486 1.340 50 0 FDAAMO CCCN1CCC([NH+]2CCC3(C[C@@H]4C(=O)N(CC)C(=O)N4C3)CC2)CC1 ZINC000581803634 927599973 /nfs/dbraw/zinc/59/99/73/927599973.db2.gz OTFUASOEJGOBOH-QGZVFWFLSA-N 1 1 362.518 1.999 50 0 FDAAMO CCCn1c(C)c[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1 ZINC000581816279 927609944 /nfs/dbraw/zinc/60/99/44/927609944.db2.gz RCENBKJCFQNKMH-CQSZACIVSA-N 1 1 351.476 1.996 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)C1 ZINC000952869050 960209184 /nfs/dbraw/zinc/20/91/84/960209184.db2.gz LWBXRQXQFPEFBV-DLBZAZTESA-N 1 1 373.501 1.196 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCc2cc(C(F)(F)F)ccc2F)C1 ZINC000952983710 960301974 /nfs/dbraw/zinc/30/19/74/960301974.db2.gz WPQNRNWZJNZMMX-SNVBAGLBSA-N 1 1 361.339 1.658 50 0 FDAAMO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)NCC1(c2ccccc2)CC1 ZINC000106069767 998995528 /nfs/dbraw/zinc/99/55/28/998995528.db2.gz MTURSHDRKMGCPQ-UHFFFAOYSA-N 1 1 365.481 1.837 50 0 FDAAMO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)NCC1(c2ccccc2)CC1 ZINC000106069767 998995534 /nfs/dbraw/zinc/99/55/34/998995534.db2.gz MTURSHDRKMGCPQ-UHFFFAOYSA-N 1 1 365.481 1.837 50 0 FDAAMO Cn1c2cc(S(=O)(=O)N3CCC[N@H+](C4CCC4)CC3)ccc2oc1=O ZINC000828414750 999073187 /nfs/dbraw/zinc/07/31/87/999073187.db2.gz CPZVSXBVAGVTEF-UHFFFAOYSA-N 1 1 365.455 1.380 50 0 FDAAMO CCNc1ncc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)cn1 ZINC000299801249 210041123 /nfs/dbraw/zinc/04/11/23/210041123.db2.gz XYWZHQUZKQQLOC-SOLBZPMBSA-N 1 1 350.463 1.429 50 0 FDAAMO CCCc1cc(CNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)on1 ZINC000299793325 210033920 /nfs/dbraw/zinc/03/39/20/210033920.db2.gz INQFSDOARLBPRR-HNNXBMFYSA-N 1 1 369.487 1.142 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000299794541 210036559 /nfs/dbraw/zinc/03/65/59/210036559.db2.gz KGTQEMPRXYKELZ-SFHVURJKSA-N 1 1 359.470 1.929 50 0 FDAAMO O=C(c1ccc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1)N1CCOCC1 ZINC000299781749 210024497 /nfs/dbraw/zinc/02/44/97/210024497.db2.gz RWDMWYJUHWQGEE-SFHVURJKSA-N 1 1 357.454 1.469 50 0 FDAAMO O=C(c1ccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1)N1CCOCC1 ZINC000299781749 210024498 /nfs/dbraw/zinc/02/44/98/210024498.db2.gz RWDMWYJUHWQGEE-SFHVURJKSA-N 1 1 357.454 1.469 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1nc2ccc(Cl)cn2c1F ZINC000299776177 210022098 /nfs/dbraw/zinc/02/20/98/210022098.db2.gz LERMOBXQIQMPHC-RYUDHWBXSA-N 1 1 354.813 1.964 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cnc3cccc(C)n3c2=O)C1 ZINC000299774958 210021542 /nfs/dbraw/zinc/02/15/42/210021542.db2.gz JFHDPCFTIRDFAS-HNNXBMFYSA-N 1 1 358.442 1.091 50 0 FDAAMO O=C(NCCCc1nccs1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299772513 210019959 /nfs/dbraw/zinc/01/99/59/210019959.db2.gz AJAKJGKEZNMXSZ-AWEZNQCLSA-N 1 1 371.528 1.091 50 0 FDAAMO Cc1ccc(-n2cnnc2)cc1NC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000299772899 210019413 /nfs/dbraw/zinc/01/94/13/210019413.db2.gz ASBFQMYPLZMTFN-UHFFFAOYSA-N 1 1 370.457 1.904 50 0 FDAAMO Cc1ccsc1CN(C)C(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299770123 210016973 /nfs/dbraw/zinc/01/69/73/210016973.db2.gz QNPNMDZNLHYDOD-HNNXBMFYSA-N 1 1 370.540 1.914 50 0 FDAAMO CCOc1ccc(NC(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000299767871 210015807 /nfs/dbraw/zinc/01/58/07/210015807.db2.gz WWEHOGDWIURARR-LBPRGKRZSA-N 1 1 352.410 1.543 50 0 FDAAMO O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000299755784 210009213 /nfs/dbraw/zinc/00/92/13/210009213.db2.gz DQHNATLVPFYXGV-AWEZNQCLSA-N 1 1 369.473 1.923 50 0 FDAAMO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000225742385 222864976 /nfs/dbraw/zinc/86/49/76/222864976.db2.gz MONQWOPRMNASAI-INIZCTEOSA-N 1 1 371.547 1.381 50 0 FDAAMO COc1ccc(Cl)cc1-n1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cn1 ZINC000237166944 222905277 /nfs/dbraw/zinc/90/52/77/222905277.db2.gz BZIWXVCWQLIUFX-NSHDSACASA-N 1 1 370.862 1.517 50 0 FDAAMO COc1ccccc1NC(=O)CCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063870974 212035819 /nfs/dbraw/zinc/03/58/19/212035819.db2.gz MBELZLHREQYHIF-UYAOXDASSA-N 1 1 361.486 1.993 50 0 FDAAMO COc1ccccc1NC(=O)CCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063870974 212035820 /nfs/dbraw/zinc/03/58/20/212035820.db2.gz MBELZLHREQYHIF-UYAOXDASSA-N 1 1 361.486 1.993 50 0 FDAAMO CC(C)(C)NC(=O)CN1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000022812285 211365810 /nfs/dbraw/zinc/36/58/10/211365810.db2.gz MQLGXIKNPXXCMC-UHFFFAOYSA-N 1 1 355.486 1.905 50 0 FDAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC(=O)NC1CCCCC1 ZINC000021822243 211325850 /nfs/dbraw/zinc/32/58/50/211325850.db2.gz KKYKLHWZHVZYIU-UHFFFAOYSA-N 1 1 358.486 1.963 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000021486907 211315450 /nfs/dbraw/zinc/31/54/50/211315450.db2.gz OLAURHZCPPZTLV-KRWDZBQOSA-N 1 1 365.499 1.312 50 0 FDAAMO Nc1nc(N)c2cc(CC[NH+]3CCOCC3)c(-c3ccc(F)cc3)nc2n1 ZINC000020365721 211276966 /nfs/dbraw/zinc/27/69/66/211276966.db2.gz RPVYHEBHYIFLNM-UHFFFAOYSA-N 1 1 368.416 1.870 50 0 FDAAMO CC[N@H+](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)Cc1cccc(F)c1 ZINC000019541117 211230955 /nfs/dbraw/zinc/23/09/55/211230955.db2.gz QLJWKDBXAKDGTA-UHFFFAOYSA-N 1 1 372.400 1.484 50 0 FDAAMO CC[N@@H+](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)Cc1cccc(F)c1 ZINC000019541117 211230957 /nfs/dbraw/zinc/23/09/57/211230957.db2.gz QLJWKDBXAKDGTA-UHFFFAOYSA-N 1 1 372.400 1.484 50 0 FDAAMO CCOC(=O)C1C(C[NH+]2CCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000018708578 211197797 /nfs/dbraw/zinc/19/77/97/211197797.db2.gz HRFSKVBKHYEOIQ-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000018708578 211197799 /nfs/dbraw/zinc/19/77/99/211197799.db2.gz HRFSKVBKHYEOIQ-KRWDZBQOSA-N 1 1 359.426 1.962 50 0 FDAAMO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000015544097 211129954 /nfs/dbraw/zinc/12/99/54/211129954.db2.gz YFRSGBDVRIGXSL-UHFFFAOYSA-N 1 1 366.506 1.583 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015063758 211116504 /nfs/dbraw/zinc/11/65/04/211116504.db2.gz SWGLXKNEVWXSCV-MRXNPFEDSA-N 1 1 360.433 1.953 50 0 FDAAMO O=C(CCC1=NNC(=O)CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015063758 211116507 /nfs/dbraw/zinc/11/65/07/211116507.db2.gz SWGLXKNEVWXSCV-MRXNPFEDSA-N 1 1 360.433 1.953 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@H]1CCCO1 ZINC000013591624 211042124 /nfs/dbraw/zinc/04/21/24/211042124.db2.gz BAUVBXLDNZRGPD-VLQPXKRTSA-N 1 1 373.497 1.527 50 0 FDAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC(C)C)cc1 ZINC000013371390 211032985 /nfs/dbraw/zinc/03/29/85/211032985.db2.gz UPSOXDPTIIXTHT-HOTGVXAUSA-N 1 1 359.513 1.570 50 0 FDAAMO O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CCCC1 ZINC000013371419 211032680 /nfs/dbraw/zinc/03/26/80/211032680.db2.gz DWBBTVIOBAMXQS-GJZGRUSLSA-N 1 1 361.460 1.297 50 0 FDAAMO CC(C)CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1cccs1 ZINC000013371242 211032537 /nfs/dbraw/zinc/03/25/37/211032537.db2.gz MQTVWAZNHTVONC-RYUDHWBXSA-N 1 1 351.515 1.323 50 0 FDAAMO COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CC[NH+](C)CC2)c1=O ZINC000022697827 220395742 /nfs/dbraw/zinc/39/57/42/220395742.db2.gz OUNGZAROXGTCKG-IBGZPJMESA-N 1 1 372.469 1.241 50 0 FDAAMO CCC(=O)Nc1ccc(OCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)cc1 ZINC000065395840 221210812 /nfs/dbraw/zinc/21/08/12/221210812.db2.gz KOPLEZSMAAVTMH-IRXDYDNUSA-N 1 1 363.458 1.638 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(N(C)C)[nH+]1 ZINC000065365327 221203737 /nfs/dbraw/zinc/20/37/37/221203737.db2.gz POCZDAUHMGUOMJ-UHFFFAOYSA-N 1 1 371.413 1.520 50 0 FDAAMO CN(Cc1cnccn1)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000065375762 221206596 /nfs/dbraw/zinc/20/65/96/221206596.db2.gz REQYEJCXWGPYOV-YLJYHZDGSA-N 1 1 351.454 1.157 50 0 FDAAMO CCn1ncnc1NC(=O)c1cccc(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000065394990 221209814 /nfs/dbraw/zinc/20/98/14/221209814.db2.gz ZKKQGLKYHNTDFY-QGZVFWFLSA-N 1 1 354.458 1.830 50 0 FDAAMO Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)nn1 ZINC000065424515 221217585 /nfs/dbraw/zinc/21/75/85/221217585.db2.gz WDHIVISZJDTEKI-MRXNPFEDSA-N 1 1 353.426 1.735 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CC[N@@H+](CCn1c3ccccc3oc1=O)CC2 ZINC000065423974 221217947 /nfs/dbraw/zinc/21/79/47/221217947.db2.gz SOGOWPIQXXVWOE-UHFFFAOYSA-N 1 1 354.410 1.097 50 0 FDAAMO O=C(CCNC(=O)c1ccc(F)cc1F)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000065550745 221232971 /nfs/dbraw/zinc/23/29/71/221232971.db2.gz TUIWVQXDELHOJA-CQSZACIVSA-N 1 1 351.397 1.781 50 0 FDAAMO CCc1cn[nH]c1C1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000067446549 221254220 /nfs/dbraw/zinc/25/42/20/221254220.db2.gz UVPREUHCGVJNMZ-CQSZACIVSA-N 1 1 371.489 1.583 50 0 FDAAMO CC(C)[N@@H+]1CCN(C(=O)c2cc(CN3CCC(O)CC3)on2)C[C@@H]1C ZINC000067649838 221266150 /nfs/dbraw/zinc/26/61/50/221266150.db2.gz QSHWPSVELDZLKP-AWEZNQCLSA-N 1 1 350.463 1.186 50 0 FDAAMO CC(C)[N@H+]1CCN(C(=O)c2cc(CN3CCC(O)CC3)on2)C[C@@H]1C ZINC000067649838 221266154 /nfs/dbraw/zinc/26/61/54/221266154.db2.gz QSHWPSVELDZLKP-AWEZNQCLSA-N 1 1 350.463 1.186 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000067601844 221261286 /nfs/dbraw/zinc/26/12/86/221261286.db2.gz BOMOZVHIWJJMPQ-IXDOHACOSA-N 1 1 373.563 1.532 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)c1scc3c1OCCO3)CCC[N@@H+]2C ZINC000067714492 221276131 /nfs/dbraw/zinc/27/61/31/221276131.db2.gz LGUIWCRGBOQWMO-UHFFFAOYSA-N 1 1 365.499 1.761 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)c1scc3c1OCCO3)CCC[N@H+]2C ZINC000067714492 221276133 /nfs/dbraw/zinc/27/61/33/221276133.db2.gz LGUIWCRGBOQWMO-UHFFFAOYSA-N 1 1 365.499 1.761 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2cc(C)n(NC(C)=O)c2C)C1 ZINC000067691288 221271803 /nfs/dbraw/zinc/27/18/03/221271803.db2.gz WNQZTLUHEXVPSF-INIZCTEOSA-N 1 1 374.489 1.490 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)N(C)C[C@@H]3CCCCO3)no2)CC1 ZINC000067713041 221274535 /nfs/dbraw/zinc/27/45/35/221274535.db2.gz UGLCNJWIZPMERV-HNNXBMFYSA-N 1 1 350.463 1.453 50 0 FDAAMO CCc1[nH]c(CN2CCN(c3nnnn3-c3ccccc3)CC2)c(C)[nH+]1 ZINC000067756839 221282522 /nfs/dbraw/zinc/28/25/22/221282522.db2.gz IDEYYLUJHHUEGL-UHFFFAOYSA-N 1 1 352.446 1.578 50 0 FDAAMO CCn1cc(NC(=O)c2cccc(C[N@H+]3CC[C@H](N(C)C(C)=O)C3)c2)nn1 ZINC000067787391 221286267 /nfs/dbraw/zinc/28/62/67/221286267.db2.gz OUEZXSRTFMKPPB-KRWDZBQOSA-N 1 1 370.457 1.603 50 0 FDAAMO Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)C(=O)NCCC[N@@H+]4C)[nH]n2)o1 ZINC000067787459 221286281 /nfs/dbraw/zinc/28/62/81/221286281.db2.gz DMMHQSIPSMYKIS-UHFFFAOYSA-N 1 1 371.441 1.405 50 0 FDAAMO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC(N)=O)CC1 ZINC000067821848 221291522 /nfs/dbraw/zinc/29/15/22/221291522.db2.gz GLZUAEOKNYGZJO-UHFFFAOYSA-N 1 1 356.430 1.958 50 0 FDAAMO COc1cc2[nH]c(=O)c(CN3CC[N@@H+](C)[C@@H](C)C3)cc2c(OC)c1OC ZINC000067840298 221292234 /nfs/dbraw/zinc/29/22/34/221292234.db2.gz AKVMKMQHAVYIEU-LBPRGKRZSA-N 1 1 361.442 1.690 50 0 FDAAMO CN(CC1(CO)CC1)c1ccc(C(=O)NCC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000067850210 221293432 /nfs/dbraw/zinc/29/34/32/221293432.db2.gz KOMOSUKBVXOWPO-KRWDZBQOSA-N 1 1 360.502 1.895 50 0 FDAAMO Cc1c[nH]c(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000067883699 221300786 /nfs/dbraw/zinc/30/07/86/221300786.db2.gz LFLYGVCEQPTVMQ-MRXNPFEDSA-N 1 1 373.501 1.657 50 0 FDAAMO COC(=O)N1CCC2(CCC([N@H+]3C[C@H](O)[C@@H](N4CCCC4)C3)CC2)CC1 ZINC000067884618 221301812 /nfs/dbraw/zinc/30/18/12/221301812.db2.gz ICUWGVQFEBAHFD-ROUUACIJSA-N 1 1 365.518 1.919 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC([NH3+])CC3)C2=O)c1 ZINC000067909583 221304206 /nfs/dbraw/zinc/30/42/06/221304206.db2.gz QVFWMSDFDCHZTQ-LJQANCHMSA-N 1 1 365.449 1.111 50 0 FDAAMO Cc1n[nH]c(C)c1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccccc1)C2 ZINC000067934111 221305749 /nfs/dbraw/zinc/30/57/49/221305749.db2.gz OVGNOMYAUPQERB-YLJYHZDGSA-N 1 1 353.470 1.364 50 0 FDAAMO Cc1cccn2c(C[NH+]3CCC(CO)CC3)c(C(=O)N3CCOCC3)nc12 ZINC000071749718 221360712 /nfs/dbraw/zinc/36/07/12/221360712.db2.gz KMUZYVRGFVVJAD-UHFFFAOYSA-N 1 1 372.469 1.319 50 0 FDAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)C[C@@H](O)CO ZINC000071754673 221365281 /nfs/dbraw/zinc/36/52/81/221365281.db2.gz DRQBREVCDSXYRJ-MRXNPFEDSA-N 1 1 374.485 1.444 50 0 FDAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)C[C@@H](O)CO ZINC000071754673 221365284 /nfs/dbraw/zinc/36/52/84/221365284.db2.gz DRQBREVCDSXYRJ-MRXNPFEDSA-N 1 1 374.485 1.444 50 0 FDAAMO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000071759504 221366005 /nfs/dbraw/zinc/36/60/05/221366005.db2.gz BECOHZSKBWYKGL-ZDUSSCGKSA-N 1 1 372.469 1.557 50 0 FDAAMO CC(C)(CO)NC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071714619 221355974 /nfs/dbraw/zinc/35/59/74/221355974.db2.gz LAUAWAWXQUJBNO-SFHVURJKSA-N 1 1 374.529 1.645 50 0 FDAAMO COC(=O)CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071765193 221372677 /nfs/dbraw/zinc/37/26/77/221372677.db2.gz UYYYINQQDGZOGQ-QGZVFWFLSA-N 1 1 374.485 1.047 50 0 FDAAMO Cc1ccc2[nH]c(C[NH+]3CCN(c4cnn(C)c(=O)c4)CC3)cc(=O)c2c1 ZINC000091486214 132202002 /nfs/dbraw/zinc/20/20/02/132202002.db2.gz RWZUXXDIVUFUSW-UHFFFAOYSA-N 1 1 365.437 1.252 50 0 FDAAMO CCN1CC[C@]2(CN(c3nc(N)nc4c3CCC4)CC[N@@H+]2C)CCC1=O ZINC000091707271 132203310 /nfs/dbraw/zinc/20/33/10/132203310.db2.gz MDCHBMLNEKINHX-IBGZPJMESA-N 1 1 358.490 1.071 50 0 FDAAMO CCN1CC[C@]2(CN(c3nc(N)nc4c3CCC4)CC[N@H+]2C)CCC1=O ZINC000091707271 132203312 /nfs/dbraw/zinc/20/33/12/132203312.db2.gz MDCHBMLNEKINHX-IBGZPJMESA-N 1 1 358.490 1.071 50 0 FDAAMO Nc1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc[nH+]1 ZINC000091794299 132204035 /nfs/dbraw/zinc/20/40/35/132204035.db2.gz RRPYIPDDZLSVTO-IBGZPJMESA-N 1 1 352.442 1.863 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(c2ncccc2C(N)=O)CC3)C1 ZINC000091793631 132204121 /nfs/dbraw/zinc/20/41/21/132204121.db2.gz AFACUJDAGAOZJN-OAHLLOKOSA-N 1 1 371.485 1.094 50 0 FDAAMO Cc1nc2c(cnn2C)c(N2CC[N@H+](Cc3ccoc3)[C@H](CCO)C2)n1 ZINC000095361156 132207776 /nfs/dbraw/zinc/20/77/76/132207776.db2.gz IDSFRWKNATXWNM-OAHLLOKOSA-N 1 1 356.430 1.338 50 0 FDAAMO Cc1nc2c(cnn2C)c(N2CC[N@@H+](Cc3ccoc3)[C@H](CCO)C2)n1 ZINC000095361156 132207778 /nfs/dbraw/zinc/20/77/78/132207778.db2.gz IDSFRWKNATXWNM-OAHLLOKOSA-N 1 1 356.430 1.338 50 0 FDAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](C4CCOCC4)C3)CC2)n1 ZINC000095379527 132209354 /nfs/dbraw/zinc/20/93/54/132209354.db2.gz RYEXYFFHNZLOIN-GOSISDBHSA-N 1 1 372.513 1.930 50 0 FDAAMO CSCc1noc(C[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)n1 ZINC000096179835 132221902 /nfs/dbraw/zinc/22/19/02/132221902.db2.gz QDDGAOAFGFAHBM-UHFFFAOYSA-N 1 1 360.447 1.358 50 0 FDAAMO Cc1ccc2cc(C[N@H+](C)CCO)c(N3CCN(CCO)CC3)nc2c1 ZINC000218850195 132273729 /nfs/dbraw/zinc/27/37/29/132273729.db2.gz ZAUIUGAVLLBZIM-UHFFFAOYSA-N 1 1 358.486 1.082 50 0 FDAAMO Cc1ccc2cc(C[N@@H+](C)CCO)c(N3CCN(CCO)CC3)nc2c1 ZINC000218850195 132273730 /nfs/dbraw/zinc/27/37/30/132273730.db2.gz ZAUIUGAVLLBZIM-UHFFFAOYSA-N 1 1 358.486 1.082 50 0 FDAAMO C[C@@H]1C[N@H+](CC2CCN(c3ccc(S(N)(=O)=O)cn3)CC2)C[C@H](C)O1 ZINC000253430649 132294046 /nfs/dbraw/zinc/29/40/46/132294046.db2.gz KJJLCQWUBGEGEE-OKILXGFUSA-N 1 1 368.503 1.055 50 0 FDAAMO CC(C)Nc1cc[nH+]c(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)n1 ZINC000299777254 132299048 /nfs/dbraw/zinc/29/90/48/132299048.db2.gz OFIDKLNIPXRRCP-UHFFFAOYSA-N 1 1 369.473 1.930 50 0 FDAAMO C[NH+]1CCC(CN2CCN(C(=O)Nc3cccc(C(N)=O)c3)CC2)CC1 ZINC000096138454 222042723 /nfs/dbraw/zinc/04/27/23/222042723.db2.gz WDFSOEHBXOSVIW-UHFFFAOYSA-N 1 1 359.474 1.277 50 0 FDAAMO COc1ccc(NC(=O)NCCC[NH+]2CCN(C)CC2)cc1NC(C)=O ZINC000096151257 222052751 /nfs/dbraw/zinc/05/27/51/222052751.db2.gz ZXVSGOBZIZOHMZ-UHFFFAOYSA-N 1 1 363.462 1.413 50 0 FDAAMO Cc1noc(CN2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)n1 ZINC000096167077 222067147 /nfs/dbraw/zinc/06/71/47/222067147.db2.gz ODIANJMLIZUKJP-UHFFFAOYSA-N 1 1 356.434 1.439 50 0 FDAAMO CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000097166166 222165590 /nfs/dbraw/zinc/16/55/90/222165590.db2.gz WGDWOOCHMHXBGB-UONOGXRCSA-N 1 1 356.536 1.944 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CSC(C)(C)C(=O)N3)CC2)c1 ZINC000097574911 222193890 /nfs/dbraw/zinc/19/38/90/222193890.db2.gz ZXBNXXWAMUJULD-INIZCTEOSA-N 1 1 361.511 1.649 50 0 FDAAMO Fc1ccccc1-n1cc(CN2CC[NH+](CCn3cncn3)CC2)cn1 ZINC000097578862 222194260 /nfs/dbraw/zinc/19/42/60/222194260.db2.gz ZBLBIEITHHEZPI-UHFFFAOYSA-N 1 1 355.421 1.421 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)c3cnc(-c4cccnc4)nc3)CC2)CC1 ZINC000097772895 222210825 /nfs/dbraw/zinc/21/08/25/222210825.db2.gz JLFFZJPKMQGOKX-UHFFFAOYSA-N 1 1 366.469 1.296 50 0 FDAAMO O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101337974 222270145 /nfs/dbraw/zinc/27/01/45/222270145.db2.gz XMLNWVARBGTDPK-AWEZNQCLSA-N 1 1 350.440 1.483 50 0 FDAAMO COc1cc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc2c1OCO2 ZINC000104532185 222359377 /nfs/dbraw/zinc/35/93/77/222359377.db2.gz KSLRTQIWEFOTSS-MRXNPFEDSA-N 1 1 350.459 1.949 50 0 FDAAMO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107413909 222393653 /nfs/dbraw/zinc/39/36/53/222393653.db2.gz YLTKCSKBYRKWQQ-MRXNPFEDSA-N 1 1 371.890 1.315 50 0 FDAAMO C[N@H+]1CCN(S(=O)(=O)c2ccccc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107413909 222393657 /nfs/dbraw/zinc/39/36/57/222393657.db2.gz YLTKCSKBYRKWQQ-MRXNPFEDSA-N 1 1 371.890 1.315 50 0 FDAAMO COCc1cc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)ccc1OC ZINC000107416482 222394764 /nfs/dbraw/zinc/39/47/64/222394764.db2.gz PEFJOHYPBZYYMQ-HXUWFJFHSA-N 1 1 361.486 1.628 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000004687801 518306783 /nfs/dbraw/zinc/30/67/83/518306783.db2.gz GNRAWKAFQIPKTA-HZPDHXFCSA-N 1 1 359.536 1.429 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 ZINC000008325246 518469079 /nfs/dbraw/zinc/46/90/79/518469079.db2.gz HQHSDSXGRIIBJD-ZDUSSCGKSA-N 1 1 355.460 1.416 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(C/C=C/c4ccccc4)c(=O)n3C)n2C1 ZINC000009060263 518494848 /nfs/dbraw/zinc/49/48/48/518494848.db2.gz AIRNPWTTXFUAPB-JXMROGBWSA-N 1 1 364.409 1.436 50 0 FDAAMO O=C(CCn1cnnn1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011839355 518574290 /nfs/dbraw/zinc/57/42/90/518574290.db2.gz GCDSTFXATZGJQY-LJQANCHMSA-N 1 1 372.448 1.717 50 0 FDAAMO Cc1c(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cnn1C ZINC000011934842 518579233 /nfs/dbraw/zinc/57/92/33/518579233.db2.gz VQWPVPVNILEGFV-INIZCTEOSA-N 1 1 359.518 1.684 50 0 FDAAMO Cc1c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cnn1C ZINC000011934841 518580245 /nfs/dbraw/zinc/58/02/45/518580245.db2.gz VQWPVPVNILEGFV-MRXNPFEDSA-N 1 1 359.518 1.684 50 0 FDAAMO COc1cccc(C[N@@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c1 ZINC000012003404 518583798 /nfs/dbraw/zinc/58/37/98/518583798.db2.gz FRKSDFGGGYLOKG-UHFFFAOYSA-N 1 1 371.485 1.660 50 0 FDAAMO CC(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)cc1 ZINC000012039323 518584027 /nfs/dbraw/zinc/58/40/27/518584027.db2.gz UNXMTVXORQHUFT-SFHVURJKSA-N 1 1 371.485 1.961 50 0 FDAAMO Cc1cnc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)cn1 ZINC000012387493 518609677 /nfs/dbraw/zinc/60/96/77/518609677.db2.gz PXQNDEBAPWFCKW-IBGZPJMESA-N 1 1 358.417 1.567 50 0 FDAAMO CC(=O)c1ccc(OCC(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000012442759 518614103 /nfs/dbraw/zinc/61/41/03/518614103.db2.gz BWWGCRBPLSOXSS-GOSISDBHSA-N 1 1 373.497 1.943 50 0 FDAAMO CC(=O)c1ccc(OCC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000012442759 518614116 /nfs/dbraw/zinc/61/41/16/518614116.db2.gz BWWGCRBPLSOXSS-GOSISDBHSA-N 1 1 373.497 1.943 50 0 FDAAMO Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)n1 ZINC000012587849 518622400 /nfs/dbraw/zinc/62/24/00/518622400.db2.gz POIGTRUVWQNLHQ-SFHVURJKSA-N 1 1 361.534 1.765 50 0 FDAAMO CNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1 ZINC000012787381 518635735 /nfs/dbraw/zinc/63/57/35/518635735.db2.gz WIEDBYOFJAMOKZ-OAHLLOKOSA-N 1 1 363.845 1.426 50 0 FDAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)CC1 ZINC000019881614 518839091 /nfs/dbraw/zinc/83/90/91/518839091.db2.gz WRNNVWRHSIDTQR-IBGZPJMESA-N 1 1 370.497 1.946 50 0 FDAAMO OCC[NH+]1CCN(c2nc3sc4c(c3c3ncnn32)CCCC4)CC1 ZINC000020480199 518851304 /nfs/dbraw/zinc/85/13/04/518851304.db2.gz HKRCCVMSXQUELK-UHFFFAOYSA-N 1 1 358.471 1.332 50 0 FDAAMO COc1cc(CCC(=O)NCCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000027689265 519193234 /nfs/dbraw/zinc/19/32/34/519193234.db2.gz CLAHWJGNQWGETH-UHFFFAOYSA-N 1 1 366.458 1.484 50 0 FDAAMO COc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(OC)c1OC ZINC000028013682 519212980 /nfs/dbraw/zinc/21/29/80/519212980.db2.gz HEFDYAOBRHUFEJ-CQSZACIVSA-N 1 1 366.458 1.799 50 0 FDAAMO CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n(C)n1 ZINC000020451087 519430804 /nfs/dbraw/zinc/43/08/04/519430804.db2.gz IPXUVBRVIVFKIX-MRXNPFEDSA-N 1 1 361.534 1.907 50 0 FDAAMO CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)n(C)n1 ZINC000020451087 519430812 /nfs/dbraw/zinc/43/08/12/519430812.db2.gz IPXUVBRVIVFKIX-MRXNPFEDSA-N 1 1 361.534 1.907 50 0 FDAAMO COc1ccc(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000031663596 519451616 /nfs/dbraw/zinc/45/16/16/519451616.db2.gz JVQAJWOVVYWYNI-LJQANCHMSA-N 1 1 369.465 1.914 50 0 FDAAMO CC1CC[NH+](CCNC(=O)CCc2nc(C3=CCN(C)CC3)no2)CC1 ZINC000033069180 519569147 /nfs/dbraw/zinc/56/91/47/519569147.db2.gz GVDJPELCSNLJHB-UHFFFAOYSA-N 1 1 361.490 1.569 50 0 FDAAMO Cc1cccc(CNC(=O)c2coc(CN3CC[NH+](C[C@H](C)O)CC3)n2)c1 ZINC000034677575 519594452 /nfs/dbraw/zinc/59/44/52/519594452.db2.gz RXWOLSPTFCCGEO-INIZCTEOSA-N 1 1 372.469 1.411 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000034695477 519595601 /nfs/dbraw/zinc/59/56/01/519595601.db2.gz IKPRDEXYCLVNOG-LJQANCHMSA-N 1 1 371.481 1.367 50 0 FDAAMO Cc1ccc(C(=O)c2c(C[NH+]3CCCCC3)n(C)c(=O)n(C)c2=O)cc1 ZINC000035326757 519605198 /nfs/dbraw/zinc/60/51/98/519605198.db2.gz ZRDIZKMTDSVJSC-UHFFFAOYSA-N 1 1 355.438 1.609 50 0 FDAAMO COc1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000035485445 519608893 /nfs/dbraw/zinc/60/88/93/519608893.db2.gz CCOUWMFEJPMSFF-ACJLOTCBSA-N 1 1 353.422 1.853 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccccc2N2CCC(NC(=O)OC)CC2)CC1 ZINC000037525607 519630879 /nfs/dbraw/zinc/63/08/79/519630879.db2.gz QVFXUCKEXGJOLC-UHFFFAOYSA-N 1 1 374.485 1.789 50 0 FDAAMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000040009512 519637901 /nfs/dbraw/zinc/63/79/01/519637901.db2.gz CLFSCKWVMJGWDX-QGZVFWFLSA-N 1 1 373.478 1.599 50 0 FDAAMO O=S(=O)(N1CC[NH+](CCc2ccccc2)CC1)N1CCCCCC1 ZINC000040039001 519638851 /nfs/dbraw/zinc/63/88/51/519638851.db2.gz ZVLLDZRCYMTOPO-UHFFFAOYSA-N 1 1 351.516 1.968 50 0 FDAAMO Cc1nn(C)c(C)c1CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000040089967 519640031 /nfs/dbraw/zinc/64/00/31/519640031.db2.gz OQYUIFVMPGMGBC-UHFFFAOYSA-N 1 1 355.486 1.966 50 0 FDAAMO CC(C)[C@H]1C[N@@H+](CCC(=O)N2CCC(C)CC2)C[C@@H]1NS(C)(=O)=O ZINC000091255557 519826738 /nfs/dbraw/zinc/82/67/38/519826738.db2.gz OXCCEDDJJJOWHI-CVEARBPZSA-N 1 1 359.536 1.141 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1nonc1C)CC2 ZINC000091551966 520596056 /nfs/dbraw/zinc/59/60/56/520596056.db2.gz RDWLVPYWYIWHMC-UHFFFAOYSA-N 1 1 372.473 1.820 50 0 FDAAMO CC[NH+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020449743 520756207 /nfs/dbraw/zinc/75/62/07/520756207.db2.gz HSDXROGTTLNBFE-SFHVURJKSA-N 1 1 365.518 1.524 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)CC1 ZINC000020027015 521663582 /nfs/dbraw/zinc/66/35/82/521663582.db2.gz XIXIYBRMQAFRBH-UHFFFAOYSA-N 1 1 367.515 1.740 50 0 FDAAMO COCCc1noc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)n1 ZINC000091504157 522040810 /nfs/dbraw/zinc/04/08/10/522040810.db2.gz HBGRZEUVIKUZHT-IBGZPJMESA-N 1 1 362.474 1.873 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c1 ZINC000072137036 522165967 /nfs/dbraw/zinc/16/59/67/522165967.db2.gz YSQRXOBYXHFKFM-NRFANRHFSA-N 1 1 365.433 1.671 50 0 FDAAMO NC(=O)C[NH+]1CCC(Nc2cc(-c3ccccc3)nc3ccnn32)CC1 ZINC000072148767 522172596 /nfs/dbraw/zinc/17/25/96/522172596.db2.gz XBMWBCOJNNJBDC-UHFFFAOYSA-N 1 1 350.426 1.758 50 0 FDAAMO O=C(NCc1ccccn1)[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1 ZINC000072151897 522177498 /nfs/dbraw/zinc/17/74/98/522177498.db2.gz QRFCSSNMHBFSAV-GOSISDBHSA-N 1 1 350.422 1.918 50 0 FDAAMO O=C(NCc1ccccn1)[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1 ZINC000072151897 522177504 /nfs/dbraw/zinc/17/75/04/522177504.db2.gz QRFCSSNMHBFSAV-GOSISDBHSA-N 1 1 350.422 1.918 50 0 FDAAMO Cc1ccc(-c2nnc(C[NH+]3CCC4(C[C@@H](C(=O)[O-])[N@H+](C)C4)CC3)o2)n1C ZINC000072151689 522177774 /nfs/dbraw/zinc/17/77/74/522177774.db2.gz QNHIBRLWOJMSHB-HNNXBMFYSA-N 1 1 373.457 1.754 50 0 FDAAMO Cc1ccc(-c2nnc(C[NH+]3CCC4(C[C@@H](C(=O)[O-])[N@@H+](C)C4)CC3)o2)n1C ZINC000072151689 522177781 /nfs/dbraw/zinc/17/77/81/522177781.db2.gz QNHIBRLWOJMSHB-HNNXBMFYSA-N 1 1 373.457 1.754 50 0 FDAAMO CN(CCC(C)(C)O)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000072159432 522185509 /nfs/dbraw/zinc/18/55/09/522185509.db2.gz ZBLCNCLTTQINLU-QGZVFWFLSA-N 1 1 361.486 1.039 50 0 FDAAMO CN(CCC(C)(C)O)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000072159432 522185517 /nfs/dbraw/zinc/18/55/17/522185517.db2.gz ZBLCNCLTTQINLU-QGZVFWFLSA-N 1 1 361.486 1.039 50 0 FDAAMO COc1ccc([C@@H]2CN(C(=O)C3([NH3+])CCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072158287 522186037 /nfs/dbraw/zinc/18/60/37/522186037.db2.gz SJMLAUGEBFLEOG-IPMKNSEASA-N 1 1 355.482 1.965 50 0 FDAAMO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072165850 522192213 /nfs/dbraw/zinc/19/22/13/522192213.db2.gz JLNWNBFJIRUPMZ-IBGZPJMESA-N 1 1 368.481 1.913 50 0 FDAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@](O)(CNC(C)=O)CC1)CO2 ZINC000072168268 522197815 /nfs/dbraw/zinc/19/78/15/522197815.db2.gz YMMHOESMLKGUMW-HXUWFJFHSA-N 1 1 360.454 1.824 50 0 FDAAMO CCn1c(=O)[nH]c2cc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)ccc2c1=O ZINC000058179959 522216778 /nfs/dbraw/zinc/21/67/78/522216778.db2.gz XQSJFNUBEZUBTD-AWEZNQCLSA-N 1 1 372.469 1.560 50 0 FDAAMO CCCN1CC2(C[C@@H]1C(=O)NCc1nnc(CC)s1)CC[NH+](C)CC2 ZINC000072409015 522239881 /nfs/dbraw/zinc/23/98/81/522239881.db2.gz STMOTXXYSWKDGU-CQSZACIVSA-N 1 1 365.547 1.913 50 0 FDAAMO CCc1nc(CC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cs1 ZINC000089289911 522256877 /nfs/dbraw/zinc/25/68/77/522256877.db2.gz GDGUSBVFNKSVRV-IAGOWNOFSA-N 1 1 359.495 2.000 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@@H+](CCCn3cnnn3)C2)CN1Cc1ccccc1 ZINC000072458685 522286799 /nfs/dbraw/zinc/28/67/99/522286799.db2.gz YAXIVUAJWCMJQD-HXUWFJFHSA-N 1 1 368.485 1.968 50 0 FDAAMO Nc1nc2c(c(NC3CCN(Cc4ccccn4)CC3)n1)CC[NH2+]CC2 ZINC000072478282 522303213 /nfs/dbraw/zinc/30/32/13/522303213.db2.gz CWUWSKYNWGFKTK-UHFFFAOYSA-N 1 1 353.474 1.219 50 0 FDAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000046714675 522341646 /nfs/dbraw/zinc/34/16/46/522341646.db2.gz XVSJLFAGGDEUMR-HNNXBMFYSA-N 1 1 370.453 1.085 50 0 FDAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000075849795 522977432 /nfs/dbraw/zinc/97/74/32/522977432.db2.gz WCBKKLUCWPXTKS-AWEZNQCLSA-N 1 1 363.483 1.441 50 0 FDAAMO COc1cccc(OCC[N@H+]2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)c1 ZINC000077344178 523304470 /nfs/dbraw/zinc/30/44/70/523304470.db2.gz YXCSZWGOCFEVBN-IEBWSBKVSA-N 1 1 371.437 1.334 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC2(CC(=O)N(C)C2)CC1 ZINC000077408059 523327117 /nfs/dbraw/zinc/32/71/17/523327117.db2.gz VDJVETFFGWFVHF-GOSISDBHSA-N 1 1 355.482 1.904 50 0 FDAAMO O=C(NCCc1cnc[nH]1)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000077436366 523335264 /nfs/dbraw/zinc/33/52/64/523335264.db2.gz ZIRIDJVWLLLHSY-UHFFFAOYSA-N 1 1 365.437 1.818 50 0 FDAAMO CC(C)CN1C[C@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1=O ZINC000077485682 523356622 /nfs/dbraw/zinc/35/66/22/523356622.db2.gz OVTVWADJLIGVPK-GOSISDBHSA-N 1 1 358.486 1.620 50 0 FDAAMO CC(C)CN1C[C@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1=O ZINC000077485682 523356632 /nfs/dbraw/zinc/35/66/32/523356632.db2.gz OVTVWADJLIGVPK-GOSISDBHSA-N 1 1 358.486 1.620 50 0 FDAAMO O=C(COC[C@@H]1CCCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077489256 523361317 /nfs/dbraw/zinc/36/13/17/523361317.db2.gz YYSBLKRZSHZUIA-FQEVSTJZSA-N 1 1 358.482 1.884 50 0 FDAAMO O=C1CC[C@]2(CCC[N@H+](CCOCCO)C2)CN1CCc1ccccc1 ZINC000077490154 523361390 /nfs/dbraw/zinc/36/13/90/523361390.db2.gz OHALQMYBRRSKHP-NRFANRHFSA-N 1 1 360.498 1.943 50 0 FDAAMO CC[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3)ccc2C1 ZINC000077520078 523370456 /nfs/dbraw/zinc/37/04/56/523370456.db2.gz SGSVZBNTOGCLMZ-KRWDZBQOSA-N 1 1 374.466 1.504 50 0 FDAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)Cc1c(C)nc(C)[nH]c1=O ZINC000077520466 523371368 /nfs/dbraw/zinc/37/13/68/523371368.db2.gz TZDCKEJKLSERMU-MRXNPFEDSA-N 1 1 357.458 1.906 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2OC(F)F)CC1)NC1CC1 ZINC000053479732 523444057 /nfs/dbraw/zinc/44/40/57/523444057.db2.gz YRXXERCURRXTNU-UHFFFAOYSA-N 1 1 367.396 1.761 50 0 FDAAMO CCn1cnnc1CN(C)Cc1cc2n(n1)CCC[N@@H+](C[C@H]1CCCO1)C2 ZINC000252497829 523584454 /nfs/dbraw/zinc/58/44/54/523584454.db2.gz BJBVHSWTUQSSPT-GOSISDBHSA-N 1 1 373.505 1.511 50 0 FDAAMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2Cl)n2ncnc2N1 ZINC000054274519 523607866 /nfs/dbraw/zinc/60/78/66/523607866.db2.gz FZTJSORNBPDBEG-INIZCTEOSA-N 1 1 372.860 1.994 50 0 FDAAMO Cn1nc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2c1=O ZINC000079194043 523720514 /nfs/dbraw/zinc/72/05/14/523720514.db2.gz HBFUBCYVJJEDSY-WMLDXEAASA-N 1 1 354.454 1.928 50 0 biogenic FDAAMO C[NH+]1CCN(C(=O)N[C@H]2CCCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000082107866 523877495 /nfs/dbraw/zinc/87/74/95/523877495.db2.gz NEFKDGBPQNNYPN-KRWDZBQOSA-N 1 1 374.485 1.404 50 0 FDAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)o1 ZINC000020452468 523928908 /nfs/dbraw/zinc/92/89/08/523928908.db2.gz ADYOSUNXDZAJNV-UHFFFAOYSA-N 1 1 371.485 1.951 50 0 FDAAMO C[N@H+]1CC[C@H](CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091381735 523980995 /nfs/dbraw/zinc/98/09/95/523980995.db2.gz JGENICBBPSAZNP-GFCCVEGCSA-N 1 1 359.382 1.664 50 0 FDAAMO C[NH+]1CCN(C(=O)N[C@@H]2CCCCN(C(=O)COc3ccccc3)C2)CC1 ZINC000082107865 524211126 /nfs/dbraw/zinc/21/11/26/524211126.db2.gz NEFKDGBPQNNYPN-QGZVFWFLSA-N 1 1 374.485 1.404 50 0 FDAAMO CSCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082157756 524216144 /nfs/dbraw/zinc/21/61/44/524216144.db2.gz PPMGULYJUNPXOJ-HNNXBMFYSA-N 1 1 353.532 1.675 50 0 FDAAMO CC[N@H+]1CCC[C@@H](CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)C1 ZINC000082166925 524218780 /nfs/dbraw/zinc/21/87/80/524218780.db2.gz KWQGXAZTJSUIAU-MRXNPFEDSA-N 1 1 362.522 1.592 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 ZINC000085470203 524359473 /nfs/dbraw/zinc/35/94/73/524359473.db2.gz MWPRHNBRWLETGW-OAHLLOKOSA-N 1 1 352.500 1.711 50 0 FDAAMO Cc1cccc2nc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)n12 ZINC000085878934 524373890 /nfs/dbraw/zinc/37/38/90/524373890.db2.gz STGIABNFCMGRCU-CVEARBPZSA-N 1 1 362.433 1.784 50 0 biogenic FDAAMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000089929932 524549274 /nfs/dbraw/zinc/54/92/74/524549274.db2.gz FYIPAPKPWFFYRB-OALUTQOASA-N 1 1 350.551 1.735 50 0 FDAAMO CSCc1ccc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)o1 ZINC000091325949 524692388 /nfs/dbraw/zinc/69/23/88/524692388.db2.gz PCUNEEDGRRLBTL-KRWDZBQOSA-N 1 1 351.472 1.569 50 0 FDAAMO CSCc1ccc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)o1 ZINC000091325949 524692390 /nfs/dbraw/zinc/69/23/90/524692390.db2.gz PCUNEEDGRRLBTL-KRWDZBQOSA-N 1 1 351.472 1.569 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@@H]1CO ZINC000091326253 524694315 /nfs/dbraw/zinc/69/43/15/524694315.db2.gz SLNOVGFSUAYNCW-RTBURBONSA-N 1 1 372.513 1.352 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc3ccn(C)c3c2)C[C@@H]1CO ZINC000091326253 524694323 /nfs/dbraw/zinc/69/43/23/524694323.db2.gz SLNOVGFSUAYNCW-RTBURBONSA-N 1 1 372.513 1.352 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@@H+]1CCc1ccccc1 ZINC000091476928 524712635 /nfs/dbraw/zinc/71/26/35/524712635.db2.gz XXVJYNLJYWHEAF-AEFFLSMTSA-N 1 1 367.453 1.028 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@H+]1CCc1ccccc1 ZINC000091476928 524712645 /nfs/dbraw/zinc/71/26/45/524712645.db2.gz XXVJYNLJYWHEAF-AEFFLSMTSA-N 1 1 367.453 1.028 50 0 FDAAMO CNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3C)C2)cc1 ZINC000091536612 524722605 /nfs/dbraw/zinc/72/26/05/524722605.db2.gz GQNDXJQFFLJMPG-HZPDHXFCSA-N 1 1 365.499 1.080 50 0 FDAAMO COc1cccc2c1OC[C@H](C(=O)N1CC[NH+](CCn3cccc3)CC1)C2 ZINC000091625985 524744769 /nfs/dbraw/zinc/74/47/69/524744769.db2.gz NYAZJKLERKJMMA-GOSISDBHSA-N 1 1 369.465 1.892 50 0 FDAAMO CCCc1cnc(C)nc1N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091664394 524755839 /nfs/dbraw/zinc/75/58/39/524755839.db2.gz MYGXZXGVVOFOCI-WTLGNFPFSA-N 1 1 362.518 1.891 50 0 FDAAMO CC(C)n1cccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091680790 524758791 /nfs/dbraw/zinc/75/87/91/524758791.db2.gz QLJSDTSHVULFDJ-XMTFNYHQSA-N 1 1 363.502 1.859 50 0 FDAAMO O=C(CCCc1ccc(F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091849358 524801382 /nfs/dbraw/zinc/80/13/82/524801382.db2.gz ZSUNWAJQOCXWHO-QZTJIDSGSA-N 1 1 364.461 1.548 50 0 FDAAMO Cc1ccc2nc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4CC(=O)N(C)C)cn2c1 ZINC000091943793 524815414 /nfs/dbraw/zinc/81/54/14/524815414.db2.gz QYODYPPLOACUGK-DOTOQJQBSA-N 1 1 369.469 1.154 50 0 FDAAMO Cc1ccc2nc(C[N@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4CC(=O)N(C)C)cn2c1 ZINC000091943793 524815418 /nfs/dbraw/zinc/81/54/18/524815418.db2.gz QYODYPPLOACUGK-DOTOQJQBSA-N 1 1 369.469 1.154 50 0 FDAAMO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)N3CCN(C(C)C)CC3)C2)cc1 ZINC000091952069 524817914 /nfs/dbraw/zinc/81/79/14/524817914.db2.gz DUZTXWXHBGMREQ-ZWKOTPCHSA-N 1 1 372.513 1.712 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1CO ZINC000092045619 524832742 /nfs/dbraw/zinc/83/27/42/524832742.db2.gz BPQYDPRGCLXVBA-CHWSQXEVSA-N 1 1 373.419 1.278 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2F)C[C@@H]1CO ZINC000092045619 524832749 /nfs/dbraw/zinc/83/27/49/524832749.db2.gz BPQYDPRGCLXVBA-CHWSQXEVSA-N 1 1 373.419 1.278 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000092096694 524846530 /nfs/dbraw/zinc/84/65/30/524846530.db2.gz QBMQHNCRNYFLEE-CYBMUJFWSA-N 1 1 359.405 1.143 50 0 FDAAMO CSCc1ccc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000092098083 524846833 /nfs/dbraw/zinc/84/68/33/524846833.db2.gz BKCKXGSEWHFSQE-CABCVRRESA-N 1 1 368.499 1.545 50 0 FDAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)C[C@H](C)O1 ZINC000252458531 524965207 /nfs/dbraw/zinc/96/52/07/524965207.db2.gz OQOCMGYSRWNGOM-CYJAXWMASA-N 1 1 360.454 1.927 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)C[C@H](C)O1 ZINC000252458531 524965220 /nfs/dbraw/zinc/96/52/20/524965220.db2.gz OQOCMGYSRWNGOM-CYJAXWMASA-N 1 1 360.454 1.927 50 0 FDAAMO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@@H+](CCn1cnnc1)C2 ZINC000095353288 525028259 /nfs/dbraw/zinc/02/82/59/525028259.db2.gz QLLBZKBHDYBXNB-QRVBRYPASA-N 1 1 363.506 1.118 50 0 FDAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](CCn1cnnc1)C2 ZINC000095353288 525028268 /nfs/dbraw/zinc/02/82/68/525028268.db2.gz QLLBZKBHDYBXNB-QRVBRYPASA-N 1 1 363.506 1.118 50 0 FDAAMO COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](CCn1cnnc1)C2 ZINC000095353288 525028282 /nfs/dbraw/zinc/02/82/82/525028282.db2.gz QLLBZKBHDYBXNB-QRVBRYPASA-N 1 1 363.506 1.118 50 0 FDAAMO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)n1C ZINC000095362641 525037772 /nfs/dbraw/zinc/03/77/72/525037772.db2.gz HHEUWDBVMUASCR-MRXNPFEDSA-N 1 1 368.489 1.790 50 0 FDAAMO Cc1nccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccnc3N)C2)n1C ZINC000095365351 525040442 /nfs/dbraw/zinc/04/04/42/525040442.db2.gz JRYMIMDRHIMJHQ-MRXNPFEDSA-N 1 1 366.473 1.725 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1C ZINC000095366502 525042654 /nfs/dbraw/zinc/04/26/54/525042654.db2.gz OSQRMESAKZRHGQ-OAHLLOKOSA-N 1 1 365.441 1.783 50 0 FDAAMO c1cn(Cc2cscn2)c([C@@H]2CCC[N@H+](CCCn3cnnn3)C2)n1 ZINC000095372213 525046517 /nfs/dbraw/zinc/04/65/17/525046517.db2.gz OSMPIPAUEWFULP-CQSZACIVSA-N 1 1 358.475 1.644 50 0 FDAAMO Cc1[nH+]c(N)nc(N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c1CCC(=O)[O-] ZINC000095382791 525057399 /nfs/dbraw/zinc/05/73/99/525057399.db2.gz UYQQRUPDGRBBFH-MRXNPFEDSA-N 1 1 369.469 1.877 50 0 FDAAMO Cc1nnc(CN2CCC[C@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)o1 ZINC000095384990 525057667 /nfs/dbraw/zinc/05/76/67/525057667.db2.gz UNTDQIOUNZNZIM-AWEZNQCLSA-N 1 1 356.434 1.439 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(c1)ncn3CCO)C2 ZINC000095390325 525062713 /nfs/dbraw/zinc/06/27/13/525062713.db2.gz KWMSVABRLGSIJQ-NVXWUHKLSA-N 1 1 372.469 1.211 50 0 FDAAMO Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095391574 525064612 /nfs/dbraw/zinc/06/46/12/525064612.db2.gz HEHAZUVQKRPNSD-IBGZPJMESA-N 1 1 361.490 1.114 50 0 FDAAMO O=C(c1cnc2c(O)cccn2c1=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095517889 525096468 /nfs/dbraw/zinc/09/64/68/525096468.db2.gz MVGDAERCNVDIEX-HUUCEWRRSA-N 1 1 368.437 1.347 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccnc1CC)CC2 ZINC000095521741 525098874 /nfs/dbraw/zinc/09/88/74/525098874.db2.gz UKPRAZOWJKRONT-UHFFFAOYSA-N 1 1 370.501 1.955 50 0 FDAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)c3cccs3)CC2)no1 ZINC000085436943 525139392 /nfs/dbraw/zinc/13/93/92/525139392.db2.gz YKFXGIHEOGXHMN-ZDUSSCGKSA-N 1 1 350.444 1.334 50 0 FDAAMO C[N@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@]12CCNC(=O)CC2 ZINC000108021469 525931458 /nfs/dbraw/zinc/93/14/58/525931458.db2.gz HXPKUYBJXPLDNV-HXUWFJFHSA-N 1 1 371.460 1.798 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)c1nc(N2CC[C@@H](O)C2)cc[nH+]1 ZINC000108414602 525968656 /nfs/dbraw/zinc/96/86/56/525968656.db2.gz KAHOUJPVYYGUAS-CQSZACIVSA-N 1 1 352.398 1.734 50 0 FDAAMO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(c2nccs2)CC1 ZINC000171908491 526178204 /nfs/dbraw/zinc/17/82/04/526178204.db2.gz WNBQNETTWGCQJB-HNNXBMFYSA-N 1 1 367.519 1.476 50 0 FDAAMO O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085558116 526454428 /nfs/dbraw/zinc/45/44/28/526454428.db2.gz PODXNIKMTUKFLU-GOSISDBHSA-N 1 1 371.481 1.358 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@H](c3cccc(F)c3)[NH+](C)C)CC2)no1 ZINC000091593868 526862662 /nfs/dbraw/zinc/86/26/62/526862662.db2.gz ZNVHMESCQWTEFC-KRWDZBQOSA-N 1 1 361.421 1.464 50 0 FDAAMO O=C(c1cnc2c(c1)CCCC2)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091604825 526875859 /nfs/dbraw/zinc/87/58/59/526875859.db2.gz OECQWAAQBSSNBX-IAGOWNOFSA-N 1 1 373.497 1.363 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCCc1cscn1 ZINC000020210092 527100417 /nfs/dbraw/zinc/10/04/17/527100417.db2.gz SKLVCPLRYOSDJI-QGZVFWFLSA-N 1 1 372.494 1.235 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCCc1cscn1 ZINC000020210092 527100420 /nfs/dbraw/zinc/10/04/20/527100420.db2.gz SKLVCPLRYOSDJI-QGZVFWFLSA-N 1 1 372.494 1.235 50 0 FDAAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cnc(N3CCOCC3)nc1)C2 ZINC000091391405 535346417 /nfs/dbraw/zinc/34/64/17/535346417.db2.gz ZTWCSZMOIORBBZ-DLBZAZTESA-N 1 1 359.474 1.146 50 0 FDAAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cnc(N3CCOCC3)nc1)C2 ZINC000091391405 535346419 /nfs/dbraw/zinc/34/64/19/535346419.db2.gz ZTWCSZMOIORBBZ-DLBZAZTESA-N 1 1 359.474 1.146 50 0 FDAAMO COc1cc2[nH+]c(N3CCC4(CC3)OCCC[C@H]4O)nc(N)c2cc1OC ZINC000095355473 536895691 /nfs/dbraw/zinc/89/56/91/536895691.db2.gz ASSFULAUGYFMIT-MRXNPFEDSA-N 1 1 374.441 1.740 50 0 FDAAMO Cc1nn(CCCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c(C)c1Cl ZINC000252508606 537250502 /nfs/dbraw/zinc/25/05/02/537250502.db2.gz XPUWZKZDCMUBQL-AWEZNQCLSA-N 1 1 369.897 1.259 50 0 FDAAMO Cc1nn(CCCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c(C)c1Cl ZINC000252508606 537250503 /nfs/dbraw/zinc/25/05/03/537250503.db2.gz XPUWZKZDCMUBQL-AWEZNQCLSA-N 1 1 369.897 1.259 50 0 FDAAMO OCCN1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257191122 537252662 /nfs/dbraw/zinc/25/26/62/537252662.db2.gz PAOUPFSZYIDJAY-IBGZPJMESA-N 1 1 355.486 1.929 50 0 FDAAMO Cc1nc(CN2CCN(CC(C)(C)C[NH+]3CCOCC3)CC2)cs1 ZINC000215567279 537438719 /nfs/dbraw/zinc/43/87/19/537438719.db2.gz PYGZMSWHKYSFPY-UHFFFAOYSA-N 1 1 352.548 1.928 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000219079560 537471113 /nfs/dbraw/zinc/47/11/13/537471113.db2.gz UYFQZWNMHUKZJK-HXUWFJFHSA-N 1 1 365.437 1.766 50 0 FDAAMO CCN1CCN(CC(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000220266252 537485135 /nfs/dbraw/zinc/48/51/35/537485135.db2.gz QYBDIRQSVXJGPN-UHFFFAOYSA-N 1 1 358.530 1.404 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@H+](C)Cc1cccc(-c3nn[nH]n3)c1)O2 ZINC000244633071 537649080 /nfs/dbraw/zinc/64/90/80/537649080.db2.gz FVYIWTHQAKGMIR-HNNXBMFYSA-N 1 1 351.414 1.709 50 0 FDAAMO Cc1noc(C)c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000244685596 537650348 /nfs/dbraw/zinc/65/03/48/537650348.db2.gz ISYDRTVYDROCGF-IPFXWSOASA-N 1 1 366.465 1.589 50 0 FDAAMO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000426662434 538120173 /nfs/dbraw/zinc/12/01/73/538120173.db2.gz OPWUTUYBFDUTCR-CQSZACIVSA-N 1 1 351.495 1.553 50 0 FDAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000426662434 538120178 /nfs/dbraw/zinc/12/01/78/538120178.db2.gz OPWUTUYBFDUTCR-CQSZACIVSA-N 1 1 351.495 1.553 50 0 FDAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000426662434 538120183 /nfs/dbraw/zinc/12/01/83/538120183.db2.gz OPWUTUYBFDUTCR-CQSZACIVSA-N 1 1 351.495 1.553 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)Cc3c(C)nc(C)[nH]c3=O)cc2C1 ZINC000426698143 538124066 /nfs/dbraw/zinc/12/40/66/538124066.db2.gz BCJPNQCDJMJGQI-UHFFFAOYSA-N 1 1 372.473 1.470 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000426563447 538424504 /nfs/dbraw/zinc/42/45/04/538424504.db2.gz UZYSPZLPVLXFIQ-LJQANCHMSA-N 1 1 372.513 1.957 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@H+](CC(=O)N3CCC4(CC3)OCCO4)C2)n1 ZINC000585145884 551574947 /nfs/dbraw/zinc/57/49/47/551574947.db2.gz GGJBSBHTOOLJAZ-INIZCTEOSA-N 1 1 360.458 1.330 50 0 FDAAMO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)N3CCC4(CC3)OCCO4)C2)n1 ZINC000585145884 551574949 /nfs/dbraw/zinc/57/49/49/551574949.db2.gz GGJBSBHTOOLJAZ-INIZCTEOSA-N 1 1 360.458 1.330 50 0 FDAAMO NC(=O)N1CCC[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000365402542 568620861 /nfs/dbraw/zinc/62/08/61/568620861.db2.gz LAKICPKVDJUAQF-INIZCTEOSA-N 1 1 362.449 1.651 50 0 FDAAMO NC(=O)N1CCC[C@H](C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000365402542 568620863 /nfs/dbraw/zinc/62/08/63/568620863.db2.gz LAKICPKVDJUAQF-INIZCTEOSA-N 1 1 362.449 1.651 50 0 FDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccn1 ZINC000047012819 570878306 /nfs/dbraw/zinc/87/83/06/570878306.db2.gz NEKFZVLMBAWNDB-KDOFPFPSSA-N 1 1 371.466 1.646 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)C[C@@H](C)[NH2+]1 ZINC000109067128 570911961 /nfs/dbraw/zinc/91/19/61/570911961.db2.gz JPZUOMMHMLYUDK-NXEZZACHSA-N 1 1 366.892 1.114 50 0 FDAAMO O=C(C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)NC(=O)Nc1ccccc1 ZINC000048375326 570953858 /nfs/dbraw/zinc/95/38/58/570953858.db2.gz KCGJEKAYNXTFHP-CALCHBBNSA-N 1 1 361.442 1.995 50 0 FDAAMO O=C(C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)NC(=O)Nc1ccccc1 ZINC000048375326 570953863 /nfs/dbraw/zinc/95/38/63/570953863.db2.gz KCGJEKAYNXTFHP-CALCHBBNSA-N 1 1 361.442 1.995 50 0 FDAAMO Cn1nccc1[C@H]1CCCN(C(=O)c2cnc(C3CC[NH+](C)CC3)[nH]2)C1 ZINC000685942835 571103246 /nfs/dbraw/zinc/10/32/46/571103246.db2.gz WTBGHCAWFUVEFH-HNNXBMFYSA-N 1 1 356.474 1.972 50 0 FDAAMO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1ccc(O)c(Cl)c1 ZINC000244707974 571114718 /nfs/dbraw/zinc/11/47/18/571114718.db2.gz KLCIXODZEQNZIT-ZDUSSCGKSA-N 1 1 353.850 1.718 50 0 FDAAMO Cc1c[nH+]ccc1N1CCCN(c2cc([C@H]3C[C@@H](O)C3)nc(N)n2)CC1 ZINC000244795451 571117274 /nfs/dbraw/zinc/11/72/74/571117274.db2.gz RGRRGUOTRAUQEW-GASCZTMLSA-N 1 1 354.458 1.717 50 0 FDAAMO CC(=O)N1CC[C@]2(O)CC[N@@H+](CCC(=O)Nc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC000244795431 571117423 /nfs/dbraw/zinc/11/74/23/571117423.db2.gz RGHHXSZQXUISBK-WIYYLYMNSA-N 1 1 373.497 1.937 50 0 FDAAMO CNc1cc([C@H]2C[C@@H](NC(=O)c3cccc4c3OCCO4)C2)[nH+]c(N)n1 ZINC000244884423 571119483 /nfs/dbraw/zinc/11/94/83/571119483.db2.gz YMHQWIFKYNISTN-PHIMTYICSA-N 1 1 355.398 1.548 50 0 FDAAMO CN1C[C@]2(CCC[N@@H+](CCC(=O)Nc3nnc(C4CC4)s3)C2)OC1=O ZINC000252483718 571131779 /nfs/dbraw/zinc/13/17/79/571131779.db2.gz FHICSFLRMSJFME-INIZCTEOSA-N 1 1 365.459 1.661 50 0 FDAAMO Nc1nc(N2CCC(OCc3ccccn3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426420480 571138659 /nfs/dbraw/zinc/13/86/59/571138659.db2.gz VSTZBKQIDSPUSU-AWEZNQCLSA-N 1 1 355.442 2.143 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(-c3ncccc3F)c2)C1 ZINC000426398968 571219752 /nfs/dbraw/zinc/21/97/52/571219752.db2.gz DBZJEWODYCFVON-INIZCTEOSA-N 1 1 370.428 1.815 50 0 FDAAMO Cc1cc(NC(=O)NCC[N@H+]2CCC[C@@H](CO)C2)ccc1N1CCCC1=O ZINC000426513510 571229398 /nfs/dbraw/zinc/22/93/98/571229398.db2.gz CIJMAKSLHSPMRO-MRXNPFEDSA-N 1 1 374.485 1.948 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3cnn4c3nc(C)cc4C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426517567 571229677 /nfs/dbraw/zinc/22/96/77/571229677.db2.gz KBYGFIDVVHIKDA-CMKODMSKSA-N 1 1 374.485 1.867 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@@H+]([C@@H]1CCN(c3ccccc3)C1)C2 ZINC000426534503 571230706 /nfs/dbraw/zinc/23/07/06/571230706.db2.gz SMJFPDNRXOFBCF-GOSISDBHSA-N 1 1 369.469 1.240 50 0 FDAAMO COCC(=O)NCc1cc2n(n1)CC[N@H+]([C@@H]1CCN(c3ccccc3)C1)C2 ZINC000426534503 571230708 /nfs/dbraw/zinc/23/07/08/571230708.db2.gz SMJFPDNRXOFBCF-GOSISDBHSA-N 1 1 369.469 1.240 50 0 FDAAMO CCc1csc(CCNC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)n1 ZINC000426544412 571231005 /nfs/dbraw/zinc/23/10/05/571231005.db2.gz PJJSLQBCHFKQIC-MRXNPFEDSA-N 1 1 366.531 1.736 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000426683673 571234983 /nfs/dbraw/zinc/23/49/83/571234983.db2.gz AIGSISMSPBZGRB-IAGOWNOFSA-N 1 1 369.421 1.104 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000426683673 571234985 /nfs/dbraw/zinc/23/49/85/571234985.db2.gz AIGSISMSPBZGRB-IAGOWNOFSA-N 1 1 369.421 1.104 50 0 FDAAMO CN1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1=O ZINC000252527703 571282641 /nfs/dbraw/zinc/28/26/41/571282641.db2.gz DEGOHVIEVXMCLF-SFHVURJKSA-N 1 1 358.486 1.915 50 0 FDAAMO Cc1nnsc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670459579 571356042 /nfs/dbraw/zinc/35/60/42/571356042.db2.gz PUNNLNUYEFGHPC-KGYZHSKHSA-N 1 1 369.494 1.144 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1c(F)cccc1F ZINC000012463895 670613240 /nfs/dbraw/zinc/61/32/40/670613240.db2.gz WRAUXFYKCDDRQS-OAHLLOKOSA-N 1 1 353.413 1.818 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1c(F)cccc1F ZINC000012463895 670613251 /nfs/dbraw/zinc/61/32/51/670613251.db2.gz WRAUXFYKCDDRQS-OAHLLOKOSA-N 1 1 353.413 1.818 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000015079820 670627672 /nfs/dbraw/zinc/62/76/72/670627672.db2.gz RNLRCHRZWOSGQL-OAHLLOKOSA-N 1 1 350.532 1.977 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)s1 ZINC000015079820 670627674 /nfs/dbraw/zinc/62/76/74/670627674.db2.gz RNLRCHRZWOSGQL-OAHLLOKOSA-N 1 1 350.532 1.977 50 0 FDAAMO NS(=O)(=O)c1ccc(CC[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000055183372 671229045 /nfs/dbraw/zinc/22/90/45/671229045.db2.gz OKERRFGTOLPUTN-FUHWJXTLSA-N 1 1 351.516 1.731 50 0 FDAAMO Nc1n[nH]c(CCC(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072481365 671393419 /nfs/dbraw/zinc/39/34/19/671393419.db2.gz RDNQLHOKIGCVPJ-AWEZNQCLSA-N 1 1 362.865 1.754 50 0 FDAAMO Nc1n[nH]c(CCC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072481365 671393425 /nfs/dbraw/zinc/39/34/25/671393425.db2.gz RDNQLHOKIGCVPJ-AWEZNQCLSA-N 1 1 362.865 1.754 50 0 FDAAMO COCCn1c(C)c[nH+]c1CCNS(=O)(=O)c1cccc(OC)c1 ZINC000169788122 672041961 /nfs/dbraw/zinc/04/19/61/672041961.db2.gz AZIOUYNINKOYPG-UHFFFAOYSA-N 1 1 353.444 1.368 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1CO)C1CC1 ZINC000257187217 672630187 /nfs/dbraw/zinc/63/01/87/672630187.db2.gz ADEXXSBNDCTEKZ-DZGCQCFKSA-N 1 1 358.360 1.904 50 0 FDAAMO C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1c(F)cncc1F ZINC000288787418 676054574 /nfs/dbraw/zinc/05/45/74/676054574.db2.gz YXZSFKQIRZHWJE-TYNCELHUSA-N 1 1 354.401 1.783 50 0 FDAAMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC000285238616 675808648 /nfs/dbraw/zinc/80/86/48/675808648.db2.gz XSGXISWOJFGVKQ-ZIAGYGMSSA-N 1 1 353.469 1.390 50 0 FDAAMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC000285238616 675808651 /nfs/dbraw/zinc/80/86/51/675808651.db2.gz XSGXISWOJFGVKQ-ZIAGYGMSSA-N 1 1 353.469 1.390 50 0 FDAAMO Cc1nocc1C(=O)N1CCC(c2nnc3n2CC[N@H+](C(C)C)CC3)CC1 ZINC000675013927 795219896 /nfs/dbraw/zinc/21/98/96/795219896.db2.gz AONQCGDQFOLQOK-UHFFFAOYSA-N 1 1 372.473 1.861 50 0 FDAAMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccccn1 ZINC000119411509 808579901 /nfs/dbraw/zinc/57/99/01/808579901.db2.gz OFSCWZGSUAAZLY-AEFFLSMTSA-N 1 1 358.486 1.923 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cnc4c(c3)CCC4)C2)CC1 ZINC000299773834 833036912 /nfs/dbraw/zinc/03/69/12/833036912.db2.gz GFSXYGPLNPQOPK-GOSISDBHSA-N 1 1 356.514 1.993 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1)N1CCOCC1 ZINC000257178794 864407712 /nfs/dbraw/zinc/40/77/12/864407712.db2.gz HCODUQGLVCKPTF-SFHVURJKSA-N 1 1 374.485 1.049 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(F)c2)CC3)CC1 ZINC000169755918 864487814 /nfs/dbraw/zinc/48/78/14/864487814.db2.gz WHNRYCQIRFFOFM-UHFFFAOYSA-N 1 1 371.460 1.262 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(F)c2)CC3)CC1 ZINC000169755918 864487818 /nfs/dbraw/zinc/48/78/18/864487818.db2.gz WHNRYCQIRFFOFM-UHFFFAOYSA-N 1 1 371.460 1.262 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)CC3)CC1 ZINC000169757531 864488943 /nfs/dbraw/zinc/48/89/43/864488943.db2.gz BDQFRDKMVNYFJC-UHFFFAOYSA-N 1 1 371.460 1.262 50 0 FDAAMO CN1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)CC3)CC1 ZINC000169757531 864488948 /nfs/dbraw/zinc/48/89/48/864488948.db2.gz BDQFRDKMVNYFJC-UHFFFAOYSA-N 1 1 371.460 1.262 50 0 FDAAMO CC(=O)N1CC[C@@H](c2nnc3n2CC[N@H+](CCc2ccccc2)CC3)C1 ZINC000257187344 864541702 /nfs/dbraw/zinc/54/17/02/864541702.db2.gz ARNCAYKWUZWMTR-GOSISDBHSA-N 1 1 353.470 1.715 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000012433325 881959356 /nfs/dbraw/zinc/95/93/56/881959356.db2.gz QKBAMYFXFRMDHM-ZDUSSCGKSA-N 1 1 352.402 1.236 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000012433325 881959366 /nfs/dbraw/zinc/95/93/66/881959366.db2.gz QKBAMYFXFRMDHM-ZDUSSCGKSA-N 1 1 352.402 1.236 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@@H]1CO)c1ccccc1C(F)(F)F ZINC000670444295 882065933 /nfs/dbraw/zinc/06/59/33/882065933.db2.gz KRGCLKGNNAYWNS-GFCCVEGCSA-N 1 1 366.405 1.831 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccccc1C(F)(F)F ZINC000670444295 882065948 /nfs/dbraw/zinc/06/59/48/882065948.db2.gz KRGCLKGNNAYWNS-GFCCVEGCSA-N 1 1 366.405 1.831 50 0 FDAAMO O=C1N(CC2CC2)CCC[C@@]1(O)C[NH2+]Cc1nncn1C1CCCCC1 ZINC000011873919 872047678 /nfs/dbraw/zinc/04/76/78/872047678.db2.gz RTVZOZBWAVXTHY-LJQANCHMSA-N 1 1 361.490 1.636 50 0 FDAAMO OC[C@]1(Cc2ccc(F)cc2)CCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000377178831 901716246 /nfs/dbraw/zinc/71/62/46/901716246.db2.gz KBEWABPCSPVKME-FQEVSTJZSA-N 1 1 372.444 1.884 50 0 FDAAMO c1nc2c(ncnc2N2CCOC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)[nH]1 ZINC000820430481 918893447 /nfs/dbraw/zinc/89/34/47/918893447.db2.gz IPPNXAGENYJMHY-AWEZNQCLSA-N 1 1 358.446 1.061 50 0 FDAAMO C[C@H](C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000823789376 922097111 /nfs/dbraw/zinc/09/71/11/922097111.db2.gz ILAMBGHMKFKIKF-CYBMUJFWSA-N 1 1 363.893 1.901 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)N(Cc2cccnc2)Cc2cccnc2)C1 ZINC000823801137 922100234 /nfs/dbraw/zinc/10/02/34/922100234.db2.gz KRZFPHLRHGEIHW-IBGZPJMESA-N 1 1 369.469 1.767 50 0 FDAAMO CC1=[NH+]N(C/C=C\c2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1 ZINC000103412902 940560117 /nfs/dbraw/zinc/56/01/17/940560117.db2.gz BOKSFOJLOSUOIG-YFHOEESVSA-N 1 1 364.409 1.343 50 0 FDAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952873023 960221196 /nfs/dbraw/zinc/22/11/96/960221196.db2.gz USWHBUGTXCFXLM-HOCLYGCPSA-N 1 1 369.469 1.793 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)/C=C/c3nc4ccccc4s3)C[C@@H]2O)CC1 ZINC000952864510 960230499 /nfs/dbraw/zinc/23/04/99/960230499.db2.gz ZSFUNXKKFFGXQC-MIVXPEEVSA-N 1 1 372.494 1.129 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2cnc(-c3ccccn3)nc2)C[C@@H]1CCO ZINC000952962260 960244956 /nfs/dbraw/zinc/24/49/56/960244956.db2.gz BNCJLDDPNDFYCC-KRWDZBQOSA-N 1 1 369.469 1.703 50 0 FDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000034873158 210260056 /nfs/dbraw/zinc/26/00/56/210260056.db2.gz JOGBMIPIYDWZHU-UHFFFAOYSA-N 1 1 373.478 1.051 50 0 FDAAMO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000034873158 210260058 /nfs/dbraw/zinc/26/00/58/210260058.db2.gz JOGBMIPIYDWZHU-UHFFFAOYSA-N 1 1 373.478 1.051 50 0 FDAAMO CCN1C[C@H](CN(C)C(=O)c2ccc(NC(=O)C[NH+](C)C)cc2)CC1=O ZINC000299798937 210038557 /nfs/dbraw/zinc/03/85/57/210038557.db2.gz WLOJSFXSFSNPLX-AWEZNQCLSA-N 1 1 360.458 1.127 50 0 FDAAMO Cc1ncn(C)c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000299795234 210035031 /nfs/dbraw/zinc/03/50/31/210035031.db2.gz OBMLIICECJDWCP-IPFXWSOASA-N 1 1 365.481 1.026 50 0 FDAAMO COc1cccc(OC)c1OCC[N@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299794012 210034925 /nfs/dbraw/zinc/03/49/25/210034925.db2.gz JKPWKYLQJGCLPE-YOEHRIQHSA-N 1 1 360.414 1.520 50 0 FDAAMO CCc1csc(CNC(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000299782150 210024675 /nfs/dbraw/zinc/02/46/75/210024675.db2.gz WTOPQNAACQOALY-CQSZACIVSA-N 1 1 371.528 1.221 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000299780123 210025257 /nfs/dbraw/zinc/02/52/57/210025257.db2.gz RGWZEXZAZJXBDT-GFCCVEGCSA-N 1 1 352.460 1.425 50 0 FDAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@H+](C)CC2 ZINC000299778140 210024066 /nfs/dbraw/zinc/02/40/66/210024066.db2.gz MHFDATMLVGKRAZ-CYBMUJFWSA-N 1 1 350.415 1.071 50 0 FDAAMO COC(=O)c1c(OC[C@H]2CCCCO2)cc(=O)n2c1CC[N@@H+](C)CC2 ZINC000299778140 210024072 /nfs/dbraw/zinc/02/40/72/210024072.db2.gz MHFDATMLVGKRAZ-CYBMUJFWSA-N 1 1 350.415 1.071 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)Nc2cccnc2Cl)CC1)NC1CC1 ZINC000299772877 210019656 /nfs/dbraw/zinc/01/96/56/210019656.db2.gz CPLQBFKZLQNHPZ-UHFFFAOYSA-N 1 1 351.838 1.600 50 0 FDAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000534631091 540391940 /nfs/dbraw/zinc/39/19/40/540391940.db2.gz TUBIWYXQABSVKA-INIZCTEOSA-N 1 1 358.486 1.724 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3nccc(N)n3)c2)C1 ZINC000534661934 540396432 /nfs/dbraw/zinc/39/64/32/540396432.db2.gz CHSFDHSOOBWNAF-HNNXBMFYSA-N 1 1 369.469 1.814 50 0 FDAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000534675322 540398853 /nfs/dbraw/zinc/39/88/53/540398853.db2.gz JYPCEJGAIVVFFQ-CYBMUJFWSA-N 1 1 363.437 1.548 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000534675322 540398858 /nfs/dbraw/zinc/39/88/58/540398858.db2.gz JYPCEJGAIVVFFQ-CYBMUJFWSA-N 1 1 363.437 1.548 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000534675322 540398861 /nfs/dbraw/zinc/39/88/61/540398861.db2.gz JYPCEJGAIVVFFQ-CYBMUJFWSA-N 1 1 363.437 1.548 50 0 FDAAMO CC1(C)C(=O)NCCN1CC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000064151819 212036660 /nfs/dbraw/zinc/03/66/60/212036660.db2.gz LHYSJSUNFKFUCG-INIZCTEOSA-N 1 1 364.534 1.500 50 0 FDAAMO CN(Cc1nc(-c2ccncc2)no1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063845671 212033094 /nfs/dbraw/zinc/03/30/94/212033094.db2.gz NOHIQBXZGKSSKP-VQIMIIECSA-N 1 1 357.458 1.943 50 0 FDAAMO CCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000058448594 212010967 /nfs/dbraw/zinc/01/09/67/212010967.db2.gz GTROENGDRVPJEO-HOTGVXAUSA-N 1 1 359.536 1.286 50 0 FDAAMO COCC[NH+]1CCN([C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1 ZINC000058307022 212002656 /nfs/dbraw/zinc/00/26/56/212002656.db2.gz PQNIQUDPHXAGAD-GOSISDBHSA-N 1 1 358.442 1.927 50 0 FDAAMO CC(=O)c1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000032907373 211571290 /nfs/dbraw/zinc/57/12/90/211571290.db2.gz AGTBDSCPTJIPRI-FUHWJXTLSA-N 1 1 361.442 1.748 50 0 FDAAMO C[C@@H](C(=O)NC(N)=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023249180 211382485 /nfs/dbraw/zinc/38/24/85/211382485.db2.gz FPVSPLWLGWEDRE-NSHDSACASA-N 1 1 358.364 1.406 50 0 FDAAMO Cn1c2ccccc2n(CC(=O)NCC[N@@H+](C)C2CCCCC2)c(=O)c1=O ZINC000021943787 211331557 /nfs/dbraw/zinc/33/15/57/211331557.db2.gz BFGYMSHLOUJKGB-UHFFFAOYSA-N 1 1 372.469 1.081 50 0 FDAAMO CC(C)[NH+]1CCN(C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000020534797 211285162 /nfs/dbraw/zinc/28/51/62/211285162.db2.gz PCJXHVIMALBHQW-OAQYLSRUSA-N 1 1 359.514 1.609 50 0 FDAAMO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1CCOCC1 ZINC000020477058 211280409 /nfs/dbraw/zinc/28/04/09/211280409.db2.gz UWUPMPKOVRISNY-UHFFFAOYSA-N 1 1 361.398 1.624 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020220093 211273064 /nfs/dbraw/zinc/27/30/64/211273064.db2.gz OGSSNTNVNTZCCS-HNNXBMFYSA-N 1 1 371.890 1.267 50 0 FDAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000019841501 211256478 /nfs/dbraw/zinc/25/64/78/211256478.db2.gz ITDMCJHTXOKTTP-UHFFFAOYSA-N 1 1 365.430 1.807 50 0 FDAAMO Cc1[nH+]ccn1CCCNC(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000015070712 211118456 /nfs/dbraw/zinc/11/84/56/211118456.db2.gz DQOJNEYAFAVCDB-UHFFFAOYSA-N 1 1 360.368 1.930 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1)NCC1(O)CCCCC1 ZINC000014952099 211106113 /nfs/dbraw/zinc/10/61/13/211106113.db2.gz ADSMCPWWMZBCLQ-SFHVURJKSA-N 1 1 373.497 1.231 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1)NCC1(O)CCCCC1 ZINC000014952099 211106118 /nfs/dbraw/zinc/10/61/18/211106118.db2.gz ADSMCPWWMZBCLQ-SFHVURJKSA-N 1 1 373.497 1.231 50 0 FDAAMO CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3cccc4cccnc43)CCN2C1=O ZINC000014540869 211093959 /nfs/dbraw/zinc/09/39/59/211093959.db2.gz ZQYIDQFVVAONDM-QGTPRVQTSA-N 1 1 366.465 1.792 50 0 FDAAMO CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3cccc4cccnc43)CCN2C1=O ZINC000014540869 211093960 /nfs/dbraw/zinc/09/39/60/211093960.db2.gz ZQYIDQFVVAONDM-QGTPRVQTSA-N 1 1 366.465 1.792 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccco1 ZINC000014182629 211082063 /nfs/dbraw/zinc/08/20/63/211082063.db2.gz SUDPGEQRTQVOHP-QLFBSQMISA-N 1 1 359.426 1.340 50 0 FDAAMO COCCN1C(=O)C(=O)N(C[NH+]2CCC(Cc3ccccc3)CC2)C1=O ZINC000014161758 211077897 /nfs/dbraw/zinc/07/78/97/211077897.db2.gz TYPKGCTYIMOJLH-UHFFFAOYSA-N 1 1 359.426 1.336 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000002319227 210390938 /nfs/dbraw/zinc/39/09/38/210390938.db2.gz RHLJXDWWQWPHFX-ZDUSSCGKSA-N 1 1 370.236 1.823 50 0 FDAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(OC)c1 ZINC000010330991 210355955 /nfs/dbraw/zinc/35/59/55/210355955.db2.gz DPHSFYALXZCGAF-AWEZNQCLSA-N 1 1 361.398 1.654 50 0 FDAAMO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC000010331122 210356543 /nfs/dbraw/zinc/35/65/43/210356543.db2.gz SQZHDYCKPTWQTE-ZDUSSCGKSA-N 1 1 361.398 1.654 50 0 FDAAMO CC(C)[C@@H]1N(C(=O)C[NH+]2CCCC2)CCN1S(=O)(=O)c1ccccc1 ZINC000001457768 210354576 /nfs/dbraw/zinc/35/45/76/210354576.db2.gz GOJCZSMCXCBHHK-GOSISDBHSA-N 1 1 365.499 1.597 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000000798370 210273156 /nfs/dbraw/zinc/27/31/56/210273156.db2.gz OKNOZPSTYGHIIC-KRWDZBQOSA-N 1 1 351.406 1.669 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000021871146 220368869 /nfs/dbraw/zinc/36/88/69/220368869.db2.gz STQKSEXOHJOHLY-KRWDZBQOSA-N 1 1 365.499 1.312 50 0 FDAAMO CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000058130732 221098347 /nfs/dbraw/zinc/09/83/47/221098347.db2.gz CCOITSGZWSWBSY-AWEZNQCLSA-N 1 1 374.485 1.597 50 0 FDAAMO COc1cccc(S(=O)(=O)NCCNc2cc(N(C)C)[nH+]c(C)n2)c1 ZINC000065362742 221202381 /nfs/dbraw/zinc/20/23/81/221202381.db2.gz VSNKBCBMMDADTA-UHFFFAOYSA-N 1 1 365.459 1.250 50 0 FDAAMO Cc1ccc(NC(=O)CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)c(C)c1 ZINC000065406703 221214638 /nfs/dbraw/zinc/21/46/38/221214638.db2.gz POXUIETZTDVCRI-QGZVFWFLSA-N 1 1 374.485 1.347 50 0 FDAAMO Cc1ccc(NC(=O)CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)c(C)c1 ZINC000065406703 221214640 /nfs/dbraw/zinc/21/46/40/221214640.db2.gz POXUIETZTDVCRI-QGZVFWFLSA-N 1 1 374.485 1.347 50 0 FDAAMO Nc1nc(C[NH2+]C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)cs1 ZINC000067432537 221252560 /nfs/dbraw/zinc/25/25/60/221252560.db2.gz CIUUMDWBTMOWNW-SFHVURJKSA-N 1 1 360.483 1.411 50 0 FDAAMO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000067770595 221282891 /nfs/dbraw/zinc/28/28/91/221282891.db2.gz XIDSSPXZQSRZCB-CJNGLKHVSA-N 1 1 359.405 1.282 50 0 FDAAMO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cn[nH]c1-c1ccccc1F ZINC000067786189 221284603 /nfs/dbraw/zinc/28/46/03/221284603.db2.gz SSEYDBAISZESMI-NHYWBVRUSA-N 1 1 359.405 1.282 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[N@@H+](C)CCCO)C2=O)c1 ZINC000067847227 221293459 /nfs/dbraw/zinc/29/34/59/221293459.db2.gz MOJDAZDBRUHABM-SFHVURJKSA-N 1 1 354.422 1.002 50 0 FDAAMO C[C@]1(C2CC[NH+](Cc3cccc4c3OC(F)(F)O4)CC2)NC(=O)NC1=O ZINC000067947587 221307490 /nfs/dbraw/zinc/30/74/90/221307490.db2.gz KZTFNRCPFLYPAV-MRXNPFEDSA-N 1 1 367.352 1.818 50 0 FDAAMO CCn1cc(CN2CC[N@@H+](C)C3(CCN(C(=O)c4ccco4)CC3)C2)cn1 ZINC000067947674 221308544 /nfs/dbraw/zinc/30/85/44/221308544.db2.gz IZIDWLKVVCBDAU-UHFFFAOYSA-N 1 1 371.485 1.918 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071639512 221353197 /nfs/dbraw/zinc/35/31/97/221353197.db2.gz UJZDSNHPWNEYPA-OAHLLOKOSA-N 1 1 366.531 1.582 50 0 FDAAMO Cc1cccn2c(C[N@@H+]3CCC[C@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071405718 221345784 /nfs/dbraw/zinc/34/57/84/221345784.db2.gz JHJFCKWPVVMNDR-HNNXBMFYSA-N 1 1 358.442 1.072 50 0 FDAAMO Cc1cccn2c(C[N@H+]3CCC[C@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071405718 221345787 /nfs/dbraw/zinc/34/57/87/221345787.db2.gz JHJFCKWPVVMNDR-HNNXBMFYSA-N 1 1 358.442 1.072 50 0 FDAAMO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccc(CN(C)S(C)(=O)=O)o3)C2)n1 ZINC000071497943 221350677 /nfs/dbraw/zinc/35/06/77/221350677.db2.gz CIMVHXQGWORIKD-OAHLLOKOSA-N 1 1 366.487 1.931 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000071753911 221364924 /nfs/dbraw/zinc/36/49/24/221364924.db2.gz QLGKDUNBJVBMEE-HNNXBMFYSA-N 1 1 351.472 1.182 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000071753911 221364926 /nfs/dbraw/zinc/36/49/26/221364926.db2.gz QLGKDUNBJVBMEE-HNNXBMFYSA-N 1 1 351.472 1.182 50 0 FDAAMO O=C(c1c[nH]nc1-c1cccc(F)c1)N1CC[C@@H]([NH+]2CCOCC2)[C@H](O)C1 ZINC000071708028 221355999 /nfs/dbraw/zinc/35/59/99/221355999.db2.gz GGCQKACTHCOWPK-IAGOWNOFSA-N 1 1 374.416 1.123 50 0 FDAAMO CCc1nccc(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071738524 221356338 /nfs/dbraw/zinc/35/63/38/221356338.db2.gz AWWZBWBWSUAMHK-INIZCTEOSA-N 1 1 371.529 1.994 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCN(c2ccc(C(=O)OC)cc2)CC1 ZINC000077342725 132181766 /nfs/dbraw/zinc/18/17/66/132181766.db2.gz VSPQTWBUYCMCIS-UHFFFAOYSA-N 1 1 356.426 1.581 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc(-c3nnn(C)n3)cc2)CC1 ZINC000091770443 132203785 /nfs/dbraw/zinc/20/37/85/132203785.db2.gz ZWANEQUUMHBLRX-UHFFFAOYSA-N 1 1 363.425 1.543 50 0 FDAAMO CC(=O)N1CC[N@H+](C2CCN(c3cccc(Cl)c3)CC2)C[C@@H](O)C1 ZINC000092001699 132205501 /nfs/dbraw/zinc/20/55/01/132205501.db2.gz FRSZEXQHHAPPGB-SFHVURJKSA-N 1 1 351.878 1.834 50 0 FDAAMO CCc1c(C)nn(CC[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)c1C ZINC000096150087 132220555 /nfs/dbraw/zinc/22/05/55/132220555.db2.gz GMRONKHHZKSIGC-UHFFFAOYSA-N 1 1 368.489 1.987 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1 ZINC000101697523 132234153 /nfs/dbraw/zinc/23/41/53/132234153.db2.gz BRCNCWLGRKPIJM-QGZVFWFLSA-N 1 1 368.481 1.505 50 0 FDAAMO COc1ccc(CN2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)cc1C ZINC000107003371 132266715 /nfs/dbraw/zinc/26/67/15/132266715.db2.gz KGOXKVAEBBUSME-QGZVFWFLSA-N 1 1 371.485 1.757 50 0 FDAAMO Cc1nc2ccccc2nc1C[NH+]1CCN(c2cnn(C)c(=O)c2)CC1 ZINC000215588944 132270328 /nfs/dbraw/zinc/27/03/28/132270328.db2.gz MSJJLLRHVARQED-UHFFFAOYSA-N 1 1 350.426 1.354 50 0 FDAAMO Cc1cccc(N2CC[NH+](CCNC(=O)CCNc3ncccn3)CC2)c1 ZINC000052579911 136124513 /nfs/dbraw/zinc/12/45/13/136124513.db2.gz KNNMSLQIGRWPFQ-UHFFFAOYSA-N 1 1 368.485 1.525 50 0 FDAAMO C[C@H](C(=O)Nc1ncccn1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000069488112 136138041 /nfs/dbraw/zinc/13/80/41/136138041.db2.gz LVKZAEPPQLPFKB-OAHLLOKOSA-N 1 1 355.442 1.772 50 0 FDAAMO C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000069488112 136138042 /nfs/dbraw/zinc/13/80/42/136138042.db2.gz LVKZAEPPQLPFKB-OAHLLOKOSA-N 1 1 355.442 1.772 50 0 FDAAMO CN(C)c1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071747375 136139935 /nfs/dbraw/zinc/13/99/35/136139935.db2.gz GESYBHGBYBCICL-OAHLLOKOSA-N 1 1 372.517 1.502 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC000071774878 136141121 /nfs/dbraw/zinc/14/11/21/136141121.db2.gz GVJYYIVURPGPNF-HNNXBMFYSA-N 1 1 369.513 1.925 50 0 FDAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC000072129501 136142210 /nfs/dbraw/zinc/14/22/10/136142210.db2.gz ILNCUKPHTSRJHZ-IBGZPJMESA-N 1 1 356.514 1.860 50 0 FDAAMO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC000072129501 136142211 /nfs/dbraw/zinc/14/22/11/136142211.db2.gz ILNCUKPHTSRJHZ-IBGZPJMESA-N 1 1 356.514 1.860 50 0 FDAAMO Cc1nn(C)c2ncnc(N3CC[N@H+](Cc4ccco4)[C@H](CCO)C3)c12 ZINC000072409460 136145389 /nfs/dbraw/zinc/14/53/89/136145389.db2.gz VZXXLVHBVNVOIO-CQSZACIVSA-N 1 1 356.430 1.338 50 0 FDAAMO Cc1nn(C)c2ncnc(N3CC[N@@H+](Cc4ccco4)[C@H](CCO)C3)c12 ZINC000072409460 136145390 /nfs/dbraw/zinc/14/53/90/136145390.db2.gz VZXXLVHBVNVOIO-CQSZACIVSA-N 1 1 356.430 1.338 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(c2nc(N)cc[nH+]2)C1 ZINC000072421484 136146064 /nfs/dbraw/zinc/14/60/64/136146064.db2.gz PKXUEKUDLSTRIQ-AWEZNQCLSA-N 1 1 356.478 1.557 50 0 FDAAMO c1ncn(CCCNc2ncnc3c2CC[N@@H+](C[C@H]2CCOC2)CC3)n1 ZINC000072477936 221551537 /nfs/dbraw/zinc/55/15/37/221551537.db2.gz BGBWHJYEMPCLFX-OAHLLOKOSA-N 1 1 357.462 1.007 50 0 FDAAMO CCNc1cc[nH+]c(N2CCc3nnc(Cc4cccnc4)n3CC2)n1 ZINC000096148331 222049747 /nfs/dbraw/zinc/04/97/47/222049747.db2.gz IKEVANKJCOUKOD-UHFFFAOYSA-N 1 1 350.430 1.548 50 0 FDAAMO O=C(CN1Cc2ccccc2C1=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000096232200 222092519 /nfs/dbraw/zinc/09/25/19/222092519.db2.gz VTLMGTWCIRODTQ-UHFFFAOYSA-N 1 1 364.449 1.424 50 0 FDAAMO O=C([C@H]1CCCCn2nnnc21)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000097698888 222206987 /nfs/dbraw/zinc/20/69/87/222206987.db2.gz CXMMQYSLFSLWSD-KRWDZBQOSA-N 1 1 372.448 1.814 50 0 FDAAMO O=C([C@H]1CCCCn2nnnc21)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000097698888 222206991 /nfs/dbraw/zinc/20/69/91/222206991.db2.gz CXMMQYSLFSLWSD-KRWDZBQOSA-N 1 1 372.448 1.814 50 0 FDAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000100821405 222254110 /nfs/dbraw/zinc/25/41/10/222254110.db2.gz UVBAFAQVSYASCV-QGZVFWFLSA-N 1 1 373.453 1.523 50 0 FDAAMO CCc1noc(C[N@H+](C)C[C@H]2[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]23)n1 ZINC000102127223 222290020 /nfs/dbraw/zinc/29/00/20/222290020.db2.gz FMEQNAQSBIEVLB-ZSOGYDGISA-N 1 1 359.430 1.687 50 0 FDAAMO CCc1noc(C[N@@H+](C)C[C@H]2[C@@H]3CN(C(=O)c4c(C)noc4C)C[C@H]23)n1 ZINC000102127223 222290024 /nfs/dbraw/zinc/29/00/24/222290024.db2.gz FMEQNAQSBIEVLB-ZSOGYDGISA-N 1 1 359.430 1.687 50 0 FDAAMO O=C1C[C@H](N2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 ZINC000103832256 222344045 /nfs/dbraw/zinc/34/40/45/222344045.db2.gz YFFUAAZLPPQPTP-MSOLQXFVSA-N 1 1 357.454 1.111 50 0 FDAAMO C[N@@H+](CCCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1ccccc1 ZINC000006859585 518390096 /nfs/dbraw/zinc/39/00/96/518390096.db2.gz WEXJPCJXPVUULQ-UHFFFAOYSA-N 1 1 367.496 1.647 50 0 FDAAMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c(OC)c1 ZINC000011662522 518566129 /nfs/dbraw/zinc/56/61/29/518566129.db2.gz LDNUSNNLTFGSQT-HNNXBMFYSA-N 1 1 361.486 1.992 50 0 FDAAMO COc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)c(OC)c1 ZINC000011662522 518566133 /nfs/dbraw/zinc/56/61/33/518566133.db2.gz LDNUSNNLTFGSQT-HNNXBMFYSA-N 1 1 361.486 1.992 50 0 FDAAMO O=C(CN1CCC(O)CC1)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011814947 518574180 /nfs/dbraw/zinc/57/41/80/518574180.db2.gz XEULUDSGKPHHJB-IBGZPJMESA-N 1 1 359.514 1.657 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000011841150 518575014 /nfs/dbraw/zinc/57/50/14/518575014.db2.gz PWLROQKKHDFMGU-GOSISDBHSA-N 1 1 359.518 1.828 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@H+]3C)cn2)CC1 ZINC000011841150 518575022 /nfs/dbraw/zinc/57/50/22/518575022.db2.gz PWLROQKKHDFMGU-GOSISDBHSA-N 1 1 359.518 1.828 50 0 FDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)[NH+](C)C ZINC000011898917 518578499 /nfs/dbraw/zinc/57/84/99/518578499.db2.gz CNOISJQHKLGAQP-HNNXBMFYSA-N 1 1 372.425 1.154 50 0 FDAAMO COC[C@H]1CC[N@@H+](Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)C1 ZINC000012433543 518612567 /nfs/dbraw/zinc/61/25/67/518612567.db2.gz LPGIRULKBFGIDR-INIZCTEOSA-N 1 1 372.469 1.583 50 0 FDAAMO O=C(Cn1cncn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000012597415 518623679 /nfs/dbraw/zinc/62/36/79/518623679.db2.gz RPFRPUVBWLPQBX-IBGZPJMESA-N 1 1 357.433 1.932 50 0 FDAAMO Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793784 518881908 /nfs/dbraw/zinc/88/19/08/518881908.db2.gz YPDGJPYHHQVHFL-UHFFFAOYSA-N 1 1 367.453 1.584 50 0 FDAAMO Cc1ccccc1Nc1nc(N2CC[NH+](CCO)CC2)nc2c1cnn2C ZINC000021928594 518887341 /nfs/dbraw/zinc/88/73/41/518887341.db2.gz KOXUUBHWOZPUOW-UHFFFAOYSA-N 1 1 367.457 1.530 50 0 FDAAMO C[C@@H](C1CC1)[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccccc1 ZINC000024672925 519001518 /nfs/dbraw/zinc/00/15/18/519001518.db2.gz FFYRYQZYHBRXEO-ZDUSSCGKSA-N 1 1 370.453 1.150 50 0 FDAAMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000025137390 519040301 /nfs/dbraw/zinc/04/03/01/519040301.db2.gz CGDSENBYZWVSCF-UHFFFAOYSA-N 1 1 365.499 1.602 50 0 FDAAMO O=C(NCc1ccc2c(c1)OCO2)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000031081570 519411106 /nfs/dbraw/zinc/41/11/06/519411106.db2.gz SLVRYRVBHWZMFW-INIZCTEOSA-N 1 1 361.442 1.812 50 0 FDAAMO Cn1c(C[NH+](C)C)c(C(=O)c2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O ZINC000036365532 519621355 /nfs/dbraw/zinc/62/13/55/519621355.db2.gz JYWVPUOPKFXUTM-UHFFFAOYSA-N 1 1 357.454 1.674 50 0 FDAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)o1)c1ccco1 ZINC000040088767 519639763 /nfs/dbraw/zinc/63/97/63/519639763.db2.gz KJGQCNOHFHMQQK-LBPRGKRZSA-N 1 1 367.427 1.346 50 0 FDAAMO CC(C)CC(=O)Nc1nc(C(=O)NCCC[NH+]2CCOCC2)cs1 ZINC000040355289 519642817 /nfs/dbraw/zinc/64/28/17/519642817.db2.gz VUORCSOTFYRERV-UHFFFAOYSA-N 1 1 354.476 1.580 50 0 FDAAMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000246532898 521722329 /nfs/dbraw/zinc/72/23/29/521722329.db2.gz SCSUSMZEZLULMV-NCOADZHNSA-N 1 1 350.507 1.950 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CN1CC2=C(C1=O)[C@H](c1ccc(C)cc1)NC(=O)N2 ZINC000057531451 522103815 /nfs/dbraw/zinc/10/38/15/522103815.db2.gz IXBCUALKWVVOPR-QAPCUYQASA-N 1 1 354.454 1.930 50 0 FDAAMO CN(C)C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071755248 522126552 /nfs/dbraw/zinc/12/65/52/522126552.db2.gz HOIQOKKTCALCRY-QGZVFWFLSA-N 1 1 373.501 1.556 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@@H](c1cccnc1)[NH+]1CCCC1)C2 ZINC000072121747 522154474 /nfs/dbraw/zinc/15/44/74/522154474.db2.gz HQLKNEIAVPAPQP-QGZVFWFLSA-N 1 1 353.426 1.195 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072154414 522181137 /nfs/dbraw/zinc/18/11/37/522181137.db2.gz VMAAIANLSMUXBL-KRWDZBQOSA-N 1 1 372.444 1.935 50 0 FDAAMO O=S(=O)(N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCOCC1 ZINC000072154673 522184191 /nfs/dbraw/zinc/18/41/91/522184191.db2.gz MJCWMMRASRLJPA-SFHVURJKSA-N 1 1 367.515 1.250 50 0 FDAAMO O=S(=O)(N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)N1CCCCC1 ZINC000072157631 522186593 /nfs/dbraw/zinc/18/65/93/522186593.db2.gz IHPVBEXQVJAIRI-GOSISDBHSA-N 1 1 363.527 1.939 50 0 FDAAMO CC(C)Cn1cncc1CNC(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000072158726 522186953 /nfs/dbraw/zinc/18/69/53/522186953.db2.gz TZHNQMRVIRZNJN-KRWDZBQOSA-N 1 1 361.490 1.288 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2 ZINC000072163112 522190043 /nfs/dbraw/zinc/19/00/43/522190043.db2.gz BFRAKKONZGHTSP-INIZCTEOSA-N 1 1 366.469 1.966 50 0 FDAAMO O=C(NCc1ccccn1)[C@H]1CN(c2nc(-c3ccccc3)no2)CC[NH2+]1 ZINC000072166054 522190737 /nfs/dbraw/zinc/19/07/37/522190737.db2.gz GAXGQLCUPQKISG-MRXNPFEDSA-N 1 1 364.409 1.226 50 0 FDAAMO COc1ccc(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000072283980 522205347 /nfs/dbraw/zinc/20/53/47/522205347.db2.gz GNUYAWQAVSLHCL-OAQYLSRUSA-N 1 1 370.449 1.957 50 0 FDAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000058202542 522223845 /nfs/dbraw/zinc/22/38/45/522223845.db2.gz PDSZLMKAIOWWSN-ZDUSSCGKSA-N 1 1 353.426 1.036 50 0 FDAAMO CN(C)Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)n1C ZINC000072423509 522257197 /nfs/dbraw/zinc/25/71/97/522257197.db2.gz YSINKVOTLUCMPW-AWEZNQCLSA-N 1 1 355.446 1.793 50 0 FDAAMO NC(=O)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072435117 522275011 /nfs/dbraw/zinc/27/50/11/522275011.db2.gz IIOFNMWSGCNPPA-SFHVURJKSA-N 1 1 358.486 1.697 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)C[C@@H]1COCCN1Cc1ccncc1 ZINC000072477026 522300391 /nfs/dbraw/zinc/30/03/91/522300391.db2.gz ZSYQATQYBQVBAV-GOSISDBHSA-N 1 1 357.458 1.336 50 0 FDAAMO CC[C@@H](C)[C@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020136665 522403122 /nfs/dbraw/zinc/40/31/22/522403122.db2.gz KUJSUZHKNNCGDX-RDTXWAMCSA-N 1 1 374.485 1.917 50 0 FDAAMO OCCc1cn(C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048170820 522683739 /nfs/dbraw/zinc/68/37/39/522683739.db2.gz BRHYRTNHFBVJBW-MRXNPFEDSA-N 1 1 358.442 1.496 50 0 FDAAMO COc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000075110539 522880972 /nfs/dbraw/zinc/88/09/72/522880972.db2.gz GNROARBKBHXWQA-STQMWFEESA-N 1 1 354.472 1.916 50 0 FDAAMO O[C@]1(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CNCCOC1 ZINC000077437601 523334564 /nfs/dbraw/zinc/33/45/64/523334564.db2.gz GDFFTVDWUIVLSC-IBGZPJMESA-N 1 1 358.442 1.267 50 0 FDAAMO CN1CCCN(C(=O)C2(Oc3ccc4ncccc4c3)CC[NH2+]CC2)CC1 ZINC000077457267 523346230 /nfs/dbraw/zinc/34/62/30/523346230.db2.gz DXISAWDGHXPSND-UHFFFAOYSA-N 1 1 368.481 1.900 50 0 FDAAMO COCCN1C[C@]2(CCC[N@H+](Cc3cc(=O)c(OC)co3)C2)CCC1=O ZINC000077471731 523352039 /nfs/dbraw/zinc/35/20/39/523352039.db2.gz GHJDIRKHKHNYQP-LJQANCHMSA-N 1 1 364.442 1.499 50 0 FDAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3cc(=O)c(OC)co3)C2)CCC1=O ZINC000077471731 523352048 /nfs/dbraw/zinc/35/20/48/523352048.db2.gz GHJDIRKHKHNYQP-LJQANCHMSA-N 1 1 364.442 1.499 50 0 FDAAMO CC(=O)NCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077471383 523352890 /nfs/dbraw/zinc/35/28/90/523352890.db2.gz BICRORZQNDVDOZ-HXUWFJFHSA-N 1 1 358.486 1.465 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077505420 523365847 /nfs/dbraw/zinc/36/58/47/523365847.db2.gz HTJDSKDXGDQIFU-LJQANCHMSA-N 1 1 362.474 1.195 50 0 FDAAMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000054510466 523650199 /nfs/dbraw/zinc/65/01/99/523650199.db2.gz VZNRNIJTUBGNFB-QGZVFWFLSA-N 1 1 358.486 1.886 50 0 FDAAMO O=C(Cn1cnc2sccc2c1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079193391 523721760 /nfs/dbraw/zinc/72/17/60/523721760.db2.gz GVCWGQAJUHPWFV-DZGCQCFKSA-N 1 1 360.483 1.839 50 0 biogenic FDAAMO CN(C)c1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)s1 ZINC000082091403 524206918 /nfs/dbraw/zinc/20/69/18/524206918.db2.gz XNMLWDHRLNRYOG-SFHVURJKSA-N 1 1 366.531 1.796 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)s1 ZINC000082092056 524209504 /nfs/dbraw/zinc/20/95/04/524209504.db2.gz BWCIWXRERKUQCB-UHFFFAOYSA-N 1 1 354.501 1.708 50 0 FDAAMO Cc1ccc(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)s1 ZINC000082092056 524209513 /nfs/dbraw/zinc/20/95/13/524209513.db2.gz BWCIWXRERKUQCB-UHFFFAOYSA-N 1 1 354.501 1.708 50 0 FDAAMO CCc1ccccc1C[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082108777 524211643 /nfs/dbraw/zinc/21/16/43/524211643.db2.gz VWKGXYXDXBVKEJ-UHFFFAOYSA-N 1 1 362.499 1.901 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)C(=O)Nc3ccccc3)cc2C1 ZINC000082127745 524214431 /nfs/dbraw/zinc/21/44/31/524214431.db2.gz KWFOPKNXMJHGCY-UHFFFAOYSA-N 1 1 355.442 1.610 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)O2)C1 ZINC000241644505 524225505 /nfs/dbraw/zinc/22/55/05/524225505.db2.gz PRJHVEDZGJABKC-BZUAXINKSA-N 1 1 369.506 1.907 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)O2)C1 ZINC000241644506 524226574 /nfs/dbraw/zinc/22/65/74/524226574.db2.gz PRJHVEDZGJABKC-OWCLPIDISA-N 1 1 369.506 1.907 50 0 FDAAMO Cn1cc[nH+]c1N1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000084140047 524287237 /nfs/dbraw/zinc/28/72/37/524287237.db2.gz RIPADYREPKLJRS-HNNXBMFYSA-N 1 1 361.490 1.353 50 0 FDAAMO Cc1ccc(C[N@H+]2CCCn3nc(CCC(=O)NCCO)cc3C2)c(C)c1 ZINC000091411016 524453413 /nfs/dbraw/zinc/45/34/13/524453413.db2.gz DDRCGCOZLKGCGV-UHFFFAOYSA-N 1 1 370.497 1.947 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccc3nsnc3c1)C2 ZINC000091462628 524709694 /nfs/dbraw/zinc/70/96/94/524709694.db2.gz NBYNWLCXQVGODP-CHWSQXEVSA-N 1 1 352.485 1.547 50 0 FDAAMO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccc3nsnc3c1)C2 ZINC000091462628 524709706 /nfs/dbraw/zinc/70/97/06/524709706.db2.gz NBYNWLCXQVGODP-CHWSQXEVSA-N 1 1 352.485 1.547 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCO3)C[C@]12CCNC(=O)CC2 ZINC000091462361 524711214 /nfs/dbraw/zinc/71/12/14/524711214.db2.gz UEMDIRCBRQQRGB-FQEVSTJZSA-N 1 1 357.454 1.438 50 0 FDAAMO Cn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCN(C)CC2)CC1 ZINC000091769857 524778532 /nfs/dbraw/zinc/77/85/32/524778532.db2.gz APJCURLRPGIPBO-SFHVURJKSA-N 1 1 359.518 1.685 50 0 FDAAMO Cn1ccnc1C1CCN(C(=O)[C@@H]2CCCN2C2CC[NH+](C)CC2)CC1 ZINC000091769857 524778541 /nfs/dbraw/zinc/77/85/41/524778541.db2.gz APJCURLRPGIPBO-SFHVURJKSA-N 1 1 359.518 1.685 50 0 FDAAMO CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1C ZINC000091768784 524779063 /nfs/dbraw/zinc/77/90/63/524779063.db2.gz XJWNXQZMRYKIKA-HZPDHXFCSA-N 1 1 369.535 1.222 50 0 FDAAMO CCn1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)c1C ZINC000091768784 524779068 /nfs/dbraw/zinc/77/90/68/524779068.db2.gz XJWNXQZMRYKIKA-HZPDHXFCSA-N 1 1 369.535 1.222 50 0 FDAAMO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)o1 ZINC000091792910 524782921 /nfs/dbraw/zinc/78/29/21/524782921.db2.gz XEFHXCNQMXFTHH-UHFFFAOYSA-N 1 1 364.471 1.620 50 0 FDAAMO CCc1ncc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cn1 ZINC000091808694 524787562 /nfs/dbraw/zinc/78/75/62/524787562.db2.gz ONNOHIBJWVNQHA-INIZCTEOSA-N 1 1 366.473 1.792 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000091829910 524794008 /nfs/dbraw/zinc/79/40/08/524794008.db2.gz RJYABXOOGGUUJE-JKSUJKDBSA-N 1 1 367.453 1.604 50 0 FDAAMO CSc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC(=O)N(C)C ZINC000091894928 524806351 /nfs/dbraw/zinc/80/63/51/524806351.db2.gz MSRRXBOJGDLSLW-JKSUJKDBSA-N 1 1 361.511 1.920 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ncccc2O)CC3)C1 ZINC000092028862 524831966 /nfs/dbraw/zinc/83/19/66/524831966.db2.gz PKQBINUONWDFSR-HNNXBMFYSA-N 1 1 372.469 1.336 50 0 FDAAMO O=C(CCc1ccc(=O)[nH]n1)N[C@H]1C[N@H+](C2CCCCC2)C[C@@H]1C1CC1 ZINC000092045823 524835512 /nfs/dbraw/zinc/83/55/12/524835512.db2.gz SEFPXPHABGILJL-MSOLQXFVSA-N 1 1 358.486 1.862 50 0 FDAAMO Cc1ccc(F)cc1CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092046434 524836097 /nfs/dbraw/zinc/83/60/97/524836097.db2.gz UUNGDGROEKNIKU-IAGOWNOFSA-N 1 1 350.434 1.076 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000248875801 525010435 /nfs/dbraw/zinc/01/04/35/525010435.db2.gz RBIDUIPRTPKGNJ-CRAIPNDOSA-N 1 1 362.433 1.945 50 0 FDAAMO CCN1CC[C@]2(CN(Cc3nc(CSC)no3)CC[N@H+]2C)CCC1=O ZINC000095356129 525032453 /nfs/dbraw/zinc/03/24/53/525032453.db2.gz XOLUUYPYUWHOGU-KRWDZBQOSA-N 1 1 367.519 1.451 50 0 FDAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000095363003 525036703 /nfs/dbraw/zinc/03/67/03/525036703.db2.gz RHKNLCZMZNMNJC-KRWDZBQOSA-N 1 1 356.463 1.838 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)NCCF)c1 ZINC000095365692 525039994 /nfs/dbraw/zinc/03/99/94/525039994.db2.gz BWGRMTRLDYMFBA-AWEZNQCLSA-N 1 1 357.451 1.149 50 0 FDAAMO Cc1nc2ccc(C(=O)N3CCC[N@@H+]([C@H]4COC[C@@H]4O)CC3)cc2nc1C ZINC000095374620 525045939 /nfs/dbraw/zinc/04/59/39/525045939.db2.gz YVJYKANDCHDMIJ-OALUTQOASA-N 1 1 370.453 1.154 50 0 FDAAMO Cc1nc2ccc(C(=O)N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)cc2nc1C ZINC000095374620 525045950 /nfs/dbraw/zinc/04/59/50/525045950.db2.gz YVJYKANDCHDMIJ-OALUTQOASA-N 1 1 370.453 1.154 50 0 FDAAMO Cc1nnc(CN2CCC[C@@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)o1 ZINC000095384989 525057540 /nfs/dbraw/zinc/05/75/40/525057540.db2.gz UNTDQIOUNZNZIM-CQSZACIVSA-N 1 1 356.434 1.439 50 0 FDAAMO CCc1ncc(C(=O)NC[C@H]2C[C@@H](CO)[N@@H+](C)[C@H]2c2ccccc2F)cn1 ZINC000095389291 525062227 /nfs/dbraw/zinc/06/22/27/525062227.db2.gz DDQGGZSVPWTVFG-FRIZHTMISA-N 1 1 372.444 1.962 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000095476084 525075435 /nfs/dbraw/zinc/07/54/35/525075435.db2.gz RFFBFDMQYWRRNM-HUUCEWRRSA-N 1 1 368.503 1.074 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCC2)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095480779 525078022 /nfs/dbraw/zinc/07/80/22/525078022.db2.gz DERGFWPSONMFHL-UHFFFAOYSA-N 1 1 351.450 1.946 50 0 FDAAMO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c(F)c1 ZINC000095506939 525090071 /nfs/dbraw/zinc/09/00/71/525090071.db2.gz IOLDVYYUAQIZSS-LSDHHAIUSA-N 1 1 363.433 1.345 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c(F)c1 ZINC000095506939 525090081 /nfs/dbraw/zinc/09/00/81/525090081.db2.gz IOLDVYYUAQIZSS-LSDHHAIUSA-N 1 1 363.433 1.345 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(=O)[nH]c1)CC2 ZINC000095508795 525090395 /nfs/dbraw/zinc/09/03/95/525090395.db2.gz IVBKJZBWSRCGES-UHFFFAOYSA-N 1 1 355.442 1.498 50 0 FDAAMO CC1(C)C[N@H+](Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CCO1 ZINC000095518883 525097185 /nfs/dbraw/zinc/09/71/85/525097185.db2.gz YDYADUBCVCABJP-SFHVURJKSA-N 1 1 364.486 1.369 50 0 FDAAMO CC1(C)C[N@@H+](Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)CCO1 ZINC000095518883 525097195 /nfs/dbraw/zinc/09/71/95/525097195.db2.gz YDYADUBCVCABJP-SFHVURJKSA-N 1 1 364.486 1.369 50 0 FDAAMO CCN(CC)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000095520828 525099422 /nfs/dbraw/zinc/09/94/22/525099422.db2.gz INVGGOXXLJYMHT-JKSUJKDBSA-N 1 1 362.474 1.583 50 0 FDAAMO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520662 525099753 /nfs/dbraw/zinc/09/97/53/525099753.db2.gz BWZNZDQEJDOKBR-HNNXBMFYSA-N 1 1 366.425 1.988 50 0 FDAAMO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095520662 525099759 /nfs/dbraw/zinc/09/97/59/525099759.db2.gz BWZNZDQEJDOKBR-HNNXBMFYSA-N 1 1 366.425 1.988 50 0 FDAAMO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000095994930 525114174 /nfs/dbraw/zinc/11/41/74/525114174.db2.gz LJEMFLSJIDXVJB-QWHCGFSZSA-N 1 1 370.471 1.876 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)C1 ZINC000096000259 525117273 /nfs/dbraw/zinc/11/72/73/525117273.db2.gz ROOGQBWVMZRJIW-HNNXBMFYSA-N 1 1 365.499 1.114 50 0 FDAAMO CC(=O)N1CCN(CC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)CC1 ZINC000096003256 525118669 /nfs/dbraw/zinc/11/86/69/525118669.db2.gz IAZGILLPSVQJNQ-SFHVURJKSA-N 1 1 359.449 1.402 50 0 FDAAMO Cc1ccccc1C[N@H+]1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](C2CC2)C1 ZINC000091461637 525145531 /nfs/dbraw/zinc/14/55/31/525145531.db2.gz HOKIEYOTUWMCSW-MOPGFXCFSA-N 1 1 355.482 1.944 50 0 FDAAMO CCCNC(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097097133 525172990 /nfs/dbraw/zinc/17/29/90/525172990.db2.gz MHCUEXJZASOOKA-GOSISDBHSA-N 1 1 358.486 1.915 50 0 FDAAMO CCCNC(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097097133 525172991 /nfs/dbraw/zinc/17/29/91/525172991.db2.gz MHCUEXJZASOOKA-GOSISDBHSA-N 1 1 358.486 1.915 50 0 FDAAMO Cc1c(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cnn1C ZINC000082116248 525706253 /nfs/dbraw/zinc/70/62/53/525706253.db2.gz RMLIYIDBCGSDJO-UHFFFAOYSA-N 1 1 356.474 1.747 50 0 FDAAMO Cc1c(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cnn1C ZINC000082116248 525706262 /nfs/dbraw/zinc/70/62/62/525706262.db2.gz RMLIYIDBCGSDJO-UHFFFAOYSA-N 1 1 356.474 1.747 50 0 FDAAMO Cc1cc(Br)ccc1OCC(=O)NCCC[NH+]1CCOCC1 ZINC000019849733 526172980 /nfs/dbraw/zinc/17/29/80/526172980.db2.gz INKDMCNZAUIOQF-UHFFFAOYSA-N 1 1 371.275 1.975 50 0 FDAAMO O=C(C[NH+]1CCCC1)N1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000091679140 526732198 /nfs/dbraw/zinc/73/21/98/526732198.db2.gz SKUOGYQEIYRJBT-HXUWFJFHSA-N 1 1 373.501 1.279 50 0 FDAAMO O=C(CN1CCCC1=O)N[C@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1C1CC1 ZINC000091625433 526735033 /nfs/dbraw/zinc/73/50/33/526735033.db2.gz SAJIWZGKFLPIKB-MOPGFXCFSA-N 1 1 355.482 1.678 50 0 FDAAMO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O)NC1CCCCCCC1 ZINC000091321508 526811123 /nfs/dbraw/zinc/81/11/23/526811123.db2.gz BEUUCRPQLGEQHC-FQEVSTJZSA-N 1 1 365.518 1.522 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000089866569 526855018 /nfs/dbraw/zinc/85/50/18/526855018.db2.gz ZTCXRHUUDAFSIQ-UHFFFAOYSA-N 1 1 366.465 1.981 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000089866569 526855023 /nfs/dbraw/zinc/85/50/23/526855023.db2.gz ZTCXRHUUDAFSIQ-UHFFFAOYSA-N 1 1 366.465 1.981 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)[C@H]1CC[C@H](O)CC1 ZINC000299785394 526874231 /nfs/dbraw/zinc/87/42/31/526874231.db2.gz ZFEMYXDAOXDRKM-WQUGGUJRSA-N 1 1 369.509 1.221 50 0 FDAAMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(-c3ncon3)cc2)CC1 ZINC000184208153 536115234 /nfs/dbraw/zinc/11/52/34/536115234.db2.gz SYPASWCPJIOLAR-UHFFFAOYSA-N 1 1 357.458 1.883 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CCn3c4ccccc4oc3=O)C2)cc(=O)[nH]1 ZINC000215796002 537442522 /nfs/dbraw/zinc/44/25/22/537442522.db2.gz AHMAOIYRJQJFSH-AWEZNQCLSA-N 1 1 354.410 1.866 50 0 FDAAMO O=C1CC[N@H+](Cc2ccccc2OCCCCN2CCOCC2)CCN1 ZINC000216102932 537445637 /nfs/dbraw/zinc/44/56/37/537445637.db2.gz NZFKSVNJZOZBLJ-UHFFFAOYSA-N 1 1 361.486 1.500 50 0 FDAAMO O=C1CC[N@@H+](Cc2ccccc2OCCCCN2CCOCC2)CCN1 ZINC000216102932 537445648 /nfs/dbraw/zinc/44/56/48/537445648.db2.gz NZFKSVNJZOZBLJ-UHFFFAOYSA-N 1 1 361.486 1.500 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)c1cc(-c3ccccc3)no1)CC2 ZINC000216503925 537450386 /nfs/dbraw/zinc/45/03/86/537450386.db2.gz MNYGHTJJRMCRNO-UHFFFAOYSA-N 1 1 368.437 1.768 50 0 FDAAMO COc1cccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1OCCn1ccnc1 ZINC000216532010 537450832 /nfs/dbraw/zinc/45/08/32/537450832.db2.gz HGJJZVRCXPCSHR-HDICACEKSA-N 1 1 356.470 1.964 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2cc(COc3ccc(OC)cc3)nn2)CC1 ZINC000227167921 537569453 /nfs/dbraw/zinc/56/94/53/537569453.db2.gz SKGXGTLJUSDJQT-UHFFFAOYSA-N 1 1 359.430 1.030 50 0 FDAAMO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3nnc(CO)n3C)CC2)cc1 ZINC000244742233 537652306 /nfs/dbraw/zinc/65/23/06/537652306.db2.gz OEEDVBQIZIMTGK-OAHLLOKOSA-N 1 1 371.485 1.673 50 0 FDAAMO CSc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3)C[C@H]2O)cs1 ZINC000244873087 537654585 /nfs/dbraw/zinc/65/45/85/537654585.db2.gz WJXGCGZDNWWBCD-TZMCWYRMSA-N 1 1 364.496 1.625 50 0 FDAAMO CSc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@H]2O)cs1 ZINC000244873087 537654587 /nfs/dbraw/zinc/65/45/87/537654587.db2.gz WJXGCGZDNWWBCD-TZMCWYRMSA-N 1 1 364.496 1.625 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)CCc1nc2ccccc2nc1OC ZINC000244852946 537654639 /nfs/dbraw/zinc/65/46/39/537654639.db2.gz VCMVLFZXIHHJNH-IRXDYDNUSA-N 1 1 358.442 1.406 50 0 FDAAMO COc1cccc(C[N@H+]2C[C@@H](COCC(N)=O)[C@H](c3ccccn3)C2)c1 ZINC000409420537 537850283 /nfs/dbraw/zinc/85/02/83/537850283.db2.gz UTIJYNPPDIXCHI-FUHWJXTLSA-N 1 1 355.438 1.808 50 0 FDAAMO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC[C@H]2c2n[nH]c(C)n2)c1 ZINC000426674362 538122585 /nfs/dbraw/zinc/12/25/85/538122585.db2.gz YCTRATJUEZWGOE-HNNXBMFYSA-N 1 1 359.430 1.827 50 0 FDAAMO Cc1nc2ccccn2c1C[N@@H+](C)CCNc1cc([C@@H]2CCOC2)ncn1 ZINC000426727543 538124783 /nfs/dbraw/zinc/12/47/83/538124783.db2.gz UJKBWXPKKQYYTM-MRXNPFEDSA-N 1 1 366.469 2.481 50 0 FDAAMO O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1COCC[NH2+]1 ZINC000237854729 570579745 /nfs/dbraw/zinc/57/97/45/570579745.db2.gz COFBDQOFWWGIIU-JTQLQIEISA-N 1 1 353.728 1.237 50 0 FDAAMO O=C(CCNC(=O)c1cnccn1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000048290543 570941701 /nfs/dbraw/zinc/94/17/01/570941701.db2.gz LSZWWVNZALEDRB-UHFFFAOYSA-N 1 1 373.501 1.711 50 0 FDAAMO Cc1noc([C@@H]2CC(=O)N(C3C[NH+](CCCc4cnccc4C)C3)C2)n1 ZINC000685940832 571099847 /nfs/dbraw/zinc/09/98/47/571099847.db2.gz JIMLRYYBXZNQAF-MRXNPFEDSA-N 1 1 355.442 1.714 50 0 FDAAMO C[NH+]1CCC(c2ncc(C(=O)N3CC[C@@H](Nc4ncccn4)C3)[nH]2)CC1 ZINC000685942544 571102686 /nfs/dbraw/zinc/10/26/86/571102686.db2.gz SJHIXLXKRKUMOQ-CQSZACIVSA-N 1 1 355.446 1.336 50 0 FDAAMO C[N@H+](CCC(=O)N1CCC(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000244874691 571118594 /nfs/dbraw/zinc/11/85/94/571118594.db2.gz XFRSKRVHMMWABF-GOSISDBHSA-N 1 1 364.511 1.902 50 0 FDAAMO C[N@@H+](CCC(=O)N1CCC(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000244874691 571118596 /nfs/dbraw/zinc/11/85/96/571118596.db2.gz XFRSKRVHMMWABF-GOSISDBHSA-N 1 1 364.511 1.902 50 0 FDAAMO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000244882865 571119147 /nfs/dbraw/zinc/11/91/47/571119147.db2.gz YASZRMPOTLKBIW-LJQANCHMSA-N 1 1 353.426 1.369 50 0 FDAAMO Cn1ccc(NC(=O)C[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)n1 ZINC000244882865 571119149 /nfs/dbraw/zinc/11/91/49/571119149.db2.gz YASZRMPOTLKBIW-LJQANCHMSA-N 1 1 353.426 1.369 50 0 FDAAMO CC(C)Cn1cncc1CNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426444888 571129585 /nfs/dbraw/zinc/12/95/85/571129585.db2.gz IKECJIAASTZBGZ-CQSZACIVSA-N 1 1 372.473 1.626 50 0 FDAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000252481938 571131487 /nfs/dbraw/zinc/13/14/87/571131487.db2.gz CVSOFCWWDXVXRO-RTBURBONSA-N 1 1 371.485 1.116 50 0 FDAAMO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000252481938 571131489 /nfs/dbraw/zinc/13/14/89/571131489.db2.gz CVSOFCWWDXVXRO-RTBURBONSA-N 1 1 371.485 1.116 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)NC2(c3nnc(N)s3)CCCCC2)C1 ZINC000252482265 571131815 /nfs/dbraw/zinc/13/18/15/571131815.db2.gz DBWWSLPNKSCPBI-GFCCVEGCSA-N 1 1 353.492 1.364 50 0 FDAAMO CCCCS(=O)(=O)N[C@H]1C[N@H+](Cc2cccnc2N)C[C@@H]1C1CC1 ZINC000091574146 571193863 /nfs/dbraw/zinc/19/38/63/571193863.db2.gz PXZGIIPDDYXSJQ-CVEARBPZSA-N 1 1 352.504 1.594 50 0 FDAAMO CCCCS(=O)(=O)N[C@H]1C[N@@H+](Cc2cccnc2N)C[C@@H]1C1CC1 ZINC000091574146 571193865 /nfs/dbraw/zinc/19/38/65/571193865.db2.gz PXZGIIPDDYXSJQ-CVEARBPZSA-N 1 1 352.504 1.594 50 0 FDAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3[nH]cnc3n2)c2cccnc12 ZINC000334159579 571212459 /nfs/dbraw/zinc/21/24/59/571212459.db2.gz CSVCCHFICYGULZ-UHFFFAOYSA-N 1 1 350.382 1.606 50 0 FDAAMO COc1cccc(SCC(=O)N2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000426399223 571220014 /nfs/dbraw/zinc/22/00/14/571220014.db2.gz MPTXWVOCZKIHKI-IRXDYDNUSA-N 1 1 366.483 1.081 50 0 FDAAMO COc1cccc(SCC(=O)N2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000426399223 571220016 /nfs/dbraw/zinc/22/00/16/571220016.db2.gz MPTXWVOCZKIHKI-IRXDYDNUSA-N 1 1 366.483 1.081 50 0 FDAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000426545194 571230934 /nfs/dbraw/zinc/23/09/34/571230934.db2.gz YWSGTTMDLISIDD-MRXNPFEDSA-N 1 1 365.499 1.224 50 0 FDAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)N2CCS(=O)(=O)CC2)C1 ZINC000426545194 571230936 /nfs/dbraw/zinc/23/09/36/571230936.db2.gz YWSGTTMDLISIDD-MRXNPFEDSA-N 1 1 365.499 1.224 50 0 FDAAMO Cc1cccc(CNC(=O)N2CCC(N3CC[NH+](CCO)CC3)CC2)c1C ZINC000426541752 571231039 /nfs/dbraw/zinc/23/10/39/571231039.db2.gz XNOMLRMBVGSKNL-UHFFFAOYSA-N 1 1 374.529 1.587 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1Cn1cncn1 ZINC000426545202 571231190 /nfs/dbraw/zinc/23/11/90/571231190.db2.gz ZQIYWYWZJMTADR-YZGWKJHDSA-N 1 1 372.469 1.839 50 0 FDAAMO O=C(NCCC[N@@H+]1CCCC[C@H]1CO)N1CC(Oc2ccc(F)cc2)C1 ZINC000426685259 571234979 /nfs/dbraw/zinc/23/49/79/571234979.db2.gz HFGOBLSRBVLITG-INIZCTEOSA-N 1 1 365.449 1.835 50 0 FDAAMO O[C@@H](COc1ccccc1)C[NH+]1CCN(Cc2cccc3nonc32)CC1 ZINC000253425534 571313076 /nfs/dbraw/zinc/31/30/76/571313076.db2.gz UQCMHQDJZLZZGR-QGZVFWFLSA-N 1 1 368.437 1.780 50 0 FDAAMO O[C@@H](COc1ccccc1)CN1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000253425534 571313077 /nfs/dbraw/zinc/31/30/77/571313077.db2.gz UQCMHQDJZLZZGR-QGZVFWFLSA-N 1 1 368.437 1.780 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000670439083 571348116 /nfs/dbraw/zinc/34/81/16/571348116.db2.gz YZOPPVODEVOEFX-SNVBAGLBSA-N 1 1 352.378 1.351 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000670446619 571350844 /nfs/dbraw/zinc/35/08/44/571350844.db2.gz GFIMWCOHWNIVIK-NSHDSACASA-N 1 1 350.843 1.604 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@H]1CO)c1ccc(F)c(Cl)c1 ZINC000670446619 571350845 /nfs/dbraw/zinc/35/08/45/571350845.db2.gz GFIMWCOHWNIVIK-NSHDSACASA-N 1 1 350.843 1.604 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000670446618 571350848 /nfs/dbraw/zinc/35/08/48/571350848.db2.gz GFIMWCOHWNIVIK-LLVKDONJSA-N 1 1 350.843 1.604 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000670446618 571350849 /nfs/dbraw/zinc/35/08/49/571350849.db2.gz GFIMWCOHWNIVIK-LLVKDONJSA-N 1 1 350.843 1.604 50 0 FDAAMO CCc1nc(CNC(=O)C2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000670458563 571355675 /nfs/dbraw/zinc/35/56/75/571355675.db2.gz DHXGJGJILSNVEH-AWEZNQCLSA-N 1 1 371.528 1.221 50 0 FDAAMO CC1(C)NC(=O)N(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O ZINC000670461005 571356872 /nfs/dbraw/zinc/35/68/72/571356872.db2.gz YRQODWVWHDLTHA-LBPRGKRZSA-N 1 1 364.471 1.159 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000670463626 571357946 /nfs/dbraw/zinc/35/79/46/571357946.db2.gz WXZQBKONBWUREL-CQSZACIVSA-N 1 1 370.471 1.095 50 0 FDAAMO COC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)CC1 ZINC000012057155 670610264 /nfs/dbraw/zinc/61/02/64/670610264.db2.gz BIAVEWMMABQUMA-KRWDZBQOSA-N 1 1 351.491 1.395 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000015079823 670627561 /nfs/dbraw/zinc/62/75/61/670627561.db2.gz RNLRCHRZWOSGQL-HNNXBMFYSA-N 1 1 350.532 1.977 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)s1 ZINC000015079823 670627563 /nfs/dbraw/zinc/62/75/63/670627563.db2.gz RNLRCHRZWOSGQL-HNNXBMFYSA-N 1 1 350.532 1.977 50 0 FDAAMO Cc1ccsc1C[N@H+]1C[C@H](O)[C@@H](N2CCN(c3ccccn3)CC2)C1 ZINC000020541697 670669822 /nfs/dbraw/zinc/66/98/22/670669822.db2.gz UKEWOPBPONDSMP-IRXDYDNUSA-N 1 1 358.511 1.819 50 0 FDAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000122253188 671714795 /nfs/dbraw/zinc/71/47/95/671714795.db2.gz PBGPIGIBYLLAKI-ZDUSSCGKSA-N 1 1 363.531 1.947 50 0 FDAAMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@](C)(O)c2cccs2)CC1 ZINC000172416592 672067577 /nfs/dbraw/zinc/06/75/77/672067577.db2.gz JUZMFVQCDPIRQN-GOSISDBHSA-N 1 1 362.499 1.718 50 0 FDAAMO CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1cccs1)C2 ZINC000257176230 672629376 /nfs/dbraw/zinc/62/93/76/672629376.db2.gz AGRSCHOJGOEQQX-OLZOCXBDSA-N 1 1 361.471 1.512 50 0 FDAAMO CC(C)[N@H+]1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)c1cccs1)C2 ZINC000257176230 672629380 /nfs/dbraw/zinc/62/93/80/672629380.db2.gz AGRSCHOJGOEQQX-OLZOCXBDSA-N 1 1 361.471 1.512 50 0 FDAAMO CCn1ncc(N2CCC[C@@H](CC(=O)N3CC[NH+](CC)CC3)C2)cc1=O ZINC000169763606 864497082 /nfs/dbraw/zinc/49/70/82/864497082.db2.gz QKMTZTGUWLLPBV-INIZCTEOSA-N 1 1 361.490 1.034 50 0 FDAAMO CCOc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)cc1 ZINC000257192170 864713259 /nfs/dbraw/zinc/71/32/59/864713259.db2.gz SSZKFZDQKNZPHA-QFBILLFUSA-N 1 1 355.438 1.703 50 0 FDAAMO CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CO)cc1 ZINC000257192170 864713267 /nfs/dbraw/zinc/71/32/67/864713267.db2.gz SSZKFZDQKNZPHA-QFBILLFUSA-N 1 1 355.438 1.703 50 0 FDAAMO O=C1N(CC2CC2)CCC[C@]1(O)C[NH2+]Cc1nncn1C1CCCCC1 ZINC000011873920 872048895 /nfs/dbraw/zinc/04/88/95/872048895.db2.gz RTVZOZBWAVXTHY-IBGZPJMESA-N 1 1 361.490 1.636 50 0 FDAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@H+](C)[C@H](C)C3)n[nH]2)c1 ZINC000011753449 893257505 /nfs/dbraw/zinc/25/75/05/893257505.db2.gz GLNNLGVDGFGKQA-CYBMUJFWSA-N 1 1 356.426 1.967 50 0 FDAAMO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)n[nH]2)c1 ZINC000011753449 893257520 /nfs/dbraw/zinc/25/75/20/893257520.db2.gz GLNNLGVDGFGKQA-CYBMUJFWSA-N 1 1 356.426 1.967 50 0 FDAAMO O[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000011818714 893827839 /nfs/dbraw/zinc/82/78/39/893827839.db2.gz AJQBMYMNKLIPMU-RTBURBONSA-N 1 1 353.470 1.234 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000011818714 893827847 /nfs/dbraw/zinc/82/78/47/893827847.db2.gz AJQBMYMNKLIPMU-RTBURBONSA-N 1 1 353.470 1.234 50 0 FDAAMO CCNS(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000818971842 917939422 /nfs/dbraw/zinc/93/94/22/917939422.db2.gz QOBHEYCRPGOZFI-HNNXBMFYSA-N 1 1 353.488 1.080 50 0 FDAAMO Cc1[nH+]cn(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1C ZINC000825284783 923565459 /nfs/dbraw/zinc/56/54/59/923565459.db2.gz MILRIHRWOATBAF-UHFFFAOYSA-N 1 1 351.428 1.640 50 0 FDAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C[C@H]21 ZINC000581781544 927561205 /nfs/dbraw/zinc/56/12/05/927561205.db2.gz LQCDYBHDTGCNHN-OXQOHEQNSA-N 1 1 371.481 1.906 50 0 FDAAMO COC[C@@H]1[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCC(=O)N1C ZINC000581813225 927598736 /nfs/dbraw/zinc/59/87/36/927598736.db2.gz MGLGPYUAFNSFCB-RTBURBONSA-N 1 1 373.497 1.434 50 0 FDAAMO CC(C)N1C(=O)C2(CCCCC2)[C@@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000581822261 927618523 /nfs/dbraw/zinc/61/85/23/927618523.db2.gz ZAZCAGDVHMAKRH-INIZCTEOSA-N 1 1 351.491 1.395 50 0 FDAAMO CSCc1ccc(C(=O)N2CCC(N3CC[NH+](CCO)CC3)CC2)o1 ZINC000952869365 960211522 /nfs/dbraw/zinc/21/15/22/960211522.db2.gz JDHPNJYEZQTTKG-UHFFFAOYSA-N 1 1 367.515 1.357 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)CCCN1CCCCC1=O)CCC[N@H+]2C ZINC000952963537 960246659 /nfs/dbraw/zinc/24/66/59/960246659.db2.gz GYZVYTQQAXSUQP-UHFFFAOYSA-N 1 1 364.534 1.408 50 0 FDAAMO CN1CCCN(C(=O)CCCN2CCCCC2=O)CC12CC[NH+](C)CC2 ZINC000952963537 960246667 /nfs/dbraw/zinc/24/66/67/960246667.db2.gz GYZVYTQQAXSUQP-UHFFFAOYSA-N 1 1 364.534 1.408 50 0 FDAAMO Cc1ccnn1CCC(=O)N1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC000952970904 960265019 /nfs/dbraw/zinc/26/50/19/960265019.db2.gz CJRPILKFQMHMCA-UHFFFAOYSA-N 1 1 372.473 1.142 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1)C1CCOCC1 ZINC000952977564 960275010 /nfs/dbraw/zinc/27/50/10/960275010.db2.gz CTLGTHXCHYEIFO-AWEZNQCLSA-N 1 1 354.882 1.791 50 0 FDAAMO CC[N@H+]1CCC[C@@]2(CCCN(S(=O)(=O)N3CCC(COC)CC3)C2)C1 ZINC000952982651 960296541 /nfs/dbraw/zinc/29/65/41/960296541.db2.gz ZPILRTURQDWZBI-GOSISDBHSA-N 1 1 373.563 1.788 50 0 FDAAMO O=c1oc2cccnc2n1CCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000089614661 1006316775 /nfs/dbraw/zinc/31/67/75/1006316775.db2.gz BBNPFPGUGXLPOD-UHFFFAOYSA-N 1 1 360.458 1.566 50 0 FDAAMO Cc1ccn(CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(=O)c1 ZINC000192459019 178114829 /nfs/dbraw/zinc/11/48/29/178114829.db2.gz NCTPPGNMUDEZHD-IBGZPJMESA-N 1 1 369.465 1.430 50 0 FDAAMO Cc1[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](CC(=O)N(C)C)C[C@H]3O)cc2c1C ZINC000299800069 210040783 /nfs/dbraw/zinc/04/07/83/210040783.db2.gz ZOAFAOPBUNISGJ-QZTJIDSGSA-N 1 1 372.469 1.038 50 0 FDAAMO Cc1[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](CC(=O)N(C)C)C[C@H]3O)cc2c1C ZINC000299800069 210040787 /nfs/dbraw/zinc/04/07/87/210040787.db2.gz ZOAFAOPBUNISGJ-QZTJIDSGSA-N 1 1 372.469 1.038 50 0 FDAAMO Cn1nnnc1SCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299793817 210036631 /nfs/dbraw/zinc/03/66/31/210036631.db2.gz ITMPXERWRARNGM-XHSDSOJGSA-N 1 1 372.498 1.644 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)CCC3)[C@H](O)C1 ZINC000299781205 210024900 /nfs/dbraw/zinc/02/49/00/210024900.db2.gz CKSBTRPYOYRXJP-RTBURBONSA-N 1 1 370.453 1.540 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cnc3c(c2)CCC3)[C@H](O)C1 ZINC000299781205 210024903 /nfs/dbraw/zinc/02/49/03/210024903.db2.gz CKSBTRPYOYRXJP-RTBURBONSA-N 1 1 370.453 1.540 50 0 FDAAMO CN(C)S(=O)(=O)CCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299781634 210024534 /nfs/dbraw/zinc/02/45/34/210024534.db2.gz UQFQDCRQGBCZSF-BBWFWOEESA-N 1 1 365.499 1.220 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]2O)CC1 ZINC000299778096 210023345 /nfs/dbraw/zinc/02/33/45/210023345.db2.gz GIAZGKTUBBIPTH-GJZGRUSLSA-N 1 1 372.391 1.530 50 0 FDAAMO C[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1cnn(-c2ccccc2F)c1 ZINC000299776286 210020699 /nfs/dbraw/zinc/02/06/99/210020699.db2.gz MXYIVNUPSBIJAE-OAHLLOKOSA-N 1 1 359.449 1.826 50 0 FDAAMO OC1CN(c2nc(N3CC(c4ccccn4)C3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299772492 210018910 /nfs/dbraw/zinc/01/89/10/210018910.db2.gz ZJMTYQCQTMMRCM-ZDUSSCGKSA-N 1 1 353.426 1.160 50 0 FDAAMO C[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000299769078 210016552 /nfs/dbraw/zinc/01/65/52/210016552.db2.gz IWEXOCUSGNVIBY-IBGZPJMESA-N 1 1 362.493 1.716 50 0 FDAAMO C[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2F)N2CCCC2)CC1 ZINC000299769078 210016557 /nfs/dbraw/zinc/01/65/57/210016557.db2.gz IWEXOCUSGNVIBY-IBGZPJMESA-N 1 1 362.493 1.716 50 0 FDAAMO O=C(Cc1cccc(O)c1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000299765075 210015157 /nfs/dbraw/zinc/01/51/57/210015157.db2.gz UMXSTGYWIBTTQT-UHFFFAOYSA-N 1 1 366.483 1.093 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)COc2ccc3nncn3n2)CC1 ZINC000299758942 210010695 /nfs/dbraw/zinc/01/06/95/210010695.db2.gz FUGCCEHZMFSWTA-UHFFFAOYSA-N 1 1 366.425 1.156 50 0 FDAAMO C[NH+]1CCN(NC(=O)CCN2C(=O)S/C(=C\c3ccccc3)C2=O)CC1 ZINC000000975585 219348810 /nfs/dbraw/zinc/34/88/10/219348810.db2.gz FACAPRBOQIRIOK-SQFISAMPSA-N 1 1 374.466 1.392 50 0 FDAAMO Cc1c[nH]c(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)c(C)c1=O ZINC000240517114 222917217 /nfs/dbraw/zinc/91/72/17/222917217.db2.gz NVGAMWILFXPTDY-SJLPKXTDSA-N 1 1 355.438 1.769 50 0 FDAAMO Cc1c[nH]c(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3)[C@H](O)C2)c(C)c1=O ZINC000240517114 222917222 /nfs/dbraw/zinc/91/72/22/222917222.db2.gz NVGAMWILFXPTDY-SJLPKXTDSA-N 1 1 355.438 1.769 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)NCCc1csc(-c2cnccn2)n1 ZINC000534574475 540383505 /nfs/dbraw/zinc/38/35/05/540383505.db2.gz XLZFRFXPLLBUDQ-UHFFFAOYSA-N 1 1 371.470 1.989 50 0 FDAAMO CC[C@H](NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)c1cccnc1 ZINC000534633547 540392205 /nfs/dbraw/zinc/39/22/05/540392205.db2.gz ZJIPSHIKKPZQGK-INIZCTEOSA-N 1 1 359.474 1.529 50 0 FDAAMO CCCn1cnnc1CN(C)C(=O)c1ccc(-c2cc(N)nc(N)[nH+]2)cc1 ZINC000534665467 540397098 /nfs/dbraw/zinc/39/70/98/540397098.db2.gz HVLPNVWCIZZQQC-UHFFFAOYSA-N 1 1 366.429 1.242 50 0 FDAAMO O=C(CCNc1cnc2cnccn12)NCC[N@H+]1CCc2ccccc2C1 ZINC000064758335 212043202 /nfs/dbraw/zinc/04/32/02/212043202.db2.gz GLLSALCQFDRIMZ-UHFFFAOYSA-N 1 1 364.453 1.706 50 0 FDAAMO CCn1c2c(C(=O)NC3CCCCC3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836008 212045468 /nfs/dbraw/zinc/04/54/68/212045468.db2.gz UGPYHOPVXZLLES-UHFFFAOYSA-N 1 1 357.458 1.566 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)C1 ZINC000062389174 212030430 /nfs/dbraw/zinc/03/04/30/212030430.db2.gz WZDWTKPIJDSLFQ-AWEZNQCLSA-N 1 1 359.434 1.061 50 0 FDAAMO NC(=O)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058341679 212005317 /nfs/dbraw/zinc/00/53/17/212005317.db2.gz PIDDIIBBNSDQAI-KRWDZBQOSA-N 1 1 358.486 1.806 50 0 FDAAMO O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000055111322 211937242 /nfs/dbraw/zinc/93/72/42/211937242.db2.gz FEFXPFPNQMHNMQ-INIZCTEOSA-N 1 1 365.499 1.120 50 0 FDAAMO CC[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCCc3c2cnn3C)CC1 ZINC000046753536 211842778 /nfs/dbraw/zinc/84/27/78/211842778.db2.gz PQRCZCMFXOLEFV-QGZVFWFLSA-N 1 1 362.522 1.514 50 0 FDAAMO COCc1cc(=O)[nH]c(-c2ccc(C[N@@H+](C)CCn3ccnc3)cc2)n1 ZINC000023340119 211384625 /nfs/dbraw/zinc/38/46/25/211384625.db2.gz KIVBPBITJYRROE-UHFFFAOYSA-N 1 1 353.426 1.912 50 0 FDAAMO CCc1ccc(N2CC[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000021045319 211305652 /nfs/dbraw/zinc/30/56/52/211305652.db2.gz FPMMJVOTSSVAQR-LJQANCHMSA-N 1 1 372.513 1.356 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N3CC[C@@H](COC)C3)Cc3ccccc3C2)CC1 ZINC000020515589 211285861 /nfs/dbraw/zinc/28/58/61/211285861.db2.gz QBPUXUNWVJBRNN-GOSISDBHSA-N 1 1 371.525 1.656 50 0 FDAAMO CCN1CC[NH+](C2(C(=O)N3CC[C@@H](COC)C3)Cc3ccccc3C2)CC1 ZINC000020515589 211285867 /nfs/dbraw/zinc/28/58/67/211285867.db2.gz QBPUXUNWVJBRNN-GOSISDBHSA-N 1 1 371.525 1.656 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020046236 211265369 /nfs/dbraw/zinc/26/53/69/211265369.db2.gz SQLIJVDXZQMILH-UHFFFAOYSA-N 1 1 359.879 1.125 50 0 FDAAMO CCOC(=O)C1=C(C[NH2+]CCOC)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000019857571 211260033 /nfs/dbraw/zinc/26/00/33/211260033.db2.gz AISNAZHJPKBDCX-QGZVFWFLSA-N 1 1 361.442 1.711 50 0 FDAAMO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC[NH+]1CCOCC1 ZINC000015772863 211141768 /nfs/dbraw/zinc/14/17/68/211141768.db2.gz CBHCISQPDBFNLV-UHFFFAOYSA-N 1 1 370.453 1.636 50 0 FDAAMO CCn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H]([N@@H+](C)CCOC)C2 ZINC000014746465 211099852 /nfs/dbraw/zinc/09/98/52/211099852.db2.gz SWKKNJZUFYCBMB-INIZCTEOSA-N 1 1 371.485 1.664 50 0 FDAAMO COc1cc2[nH]c3c(ncn(CCC[NH+]4CCOCC4)c3=O)c2cc1OC ZINC000020113231 220313154 /nfs/dbraw/zinc/31/31/54/220313154.db2.gz GVNOBSKRDQYHTN-UHFFFAOYSA-N 1 1 372.425 1.617 50 0 biogenic FDAAMO C[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000020568095 220333384 /nfs/dbraw/zinc/33/33/84/220333384.db2.gz VCLQCWHXYNJNRZ-LBPRGKRZSA-N 1 1 359.879 1.269 50 0 FDAAMO CCn1c(=O)c(C(=O)NCC[N@@H+](C)C2CCCCC2)nc2cccnc21 ZINC000065282808 221193065 /nfs/dbraw/zinc/19/30/65/221193065.db2.gz YROOTDHEHZJJTG-UHFFFAOYSA-N 1 1 357.458 1.806 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nc(-c3ccnc(N4CCCC4)c3)no2)CC1 ZINC000065245892 221186272 /nfs/dbraw/zinc/18/62/72/221186272.db2.gz VFUDPCBNHBCESH-UHFFFAOYSA-N 1 1 370.457 1.898 50 0 FDAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cnc2ccccn2c1=O ZINC000065405594 221213228 /nfs/dbraw/zinc/21/32/28/221213228.db2.gz UNCOHKZIYVEKAW-HNNXBMFYSA-N 1 1 362.433 1.871 50 0 FDAAMO NC(=O)c1csc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)n1 ZINC000065428427 221218885 /nfs/dbraw/zinc/21/88/85/221218885.db2.gz NYZJCYPOFHYFIV-UHFFFAOYSA-N 1 1 368.466 1.750 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)NCCS(=O)(=O)N1CCCC1)[NH+](C)C ZINC000065454590 221220592 /nfs/dbraw/zinc/22/05/92/221220592.db2.gz FAHJJDXHWGYGMV-MRXNPFEDSA-N 1 1 353.488 1.140 50 0 FDAAMO O=C1NCCN2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]12 ZINC000065506120 221228190 /nfs/dbraw/zinc/22/81/90/221228190.db2.gz VHESTGUQFXNCQZ-FQEVSTJZSA-N 1 1 351.450 1.882 50 0 FDAAMO O=C1NCCN2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@@H]12 ZINC000065506120 221228193 /nfs/dbraw/zinc/22/81/93/221228193.db2.gz VHESTGUQFXNCQZ-FQEVSTJZSA-N 1 1 351.450 1.882 50 0 FDAAMO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000065675120 221235854 /nfs/dbraw/zinc/23/58/54/221235854.db2.gz DDRPTEKVHQQNDO-HUUCEWRRSA-N 1 1 356.470 1.942 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000067688390 221270604 /nfs/dbraw/zinc/27/06/04/221270604.db2.gz YJPXWURAFPTJFS-UHFFFAOYSA-N 1 1 353.470 1.659 50 0 FDAAMO CN1CCCNC(=O)C12CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000067688390 221270608 /nfs/dbraw/zinc/27/06/08/221270608.db2.gz YJPXWURAFPTJFS-UHFFFAOYSA-N 1 1 353.470 1.659 50 0 FDAAMO Cn1nc(CC2CCN(c3cc(N)[nH+]cn3)CC2)n(-c2ccccc2)c1=O ZINC000067818115 221289896 /nfs/dbraw/zinc/28/98/96/221289896.db2.gz DKHMPGLDHPFIBM-UHFFFAOYSA-N 1 1 365.441 1.402 50 0 FDAAMO Cc1cnc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)cn1 ZINC000067754929 221279903 /nfs/dbraw/zinc/27/99/03/221279903.db2.gz CGMFNUKGIHRSIB-NRFANRHFSA-N 1 1 368.481 1.861 50 0 FDAAMO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1=O ZINC000067756693 221281885 /nfs/dbraw/zinc/28/18/85/221281885.db2.gz ARHJNBIVYJOFSP-KRWDZBQOSA-N 1 1 373.501 1.354 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000067770141 221283051 /nfs/dbraw/zinc/28/30/51/221283051.db2.gz ZQTAOMGGGZMIFQ-ZDUSSCGKSA-N 1 1 353.426 1.812 50 0 FDAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000067770141 221283052 /nfs/dbraw/zinc/28/30/52/221283052.db2.gz ZQTAOMGGGZMIFQ-ZDUSSCGKSA-N 1 1 353.426 1.812 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000067934579 221306351 /nfs/dbraw/zinc/30/63/51/221306351.db2.gz ZCYOCHUHDAHLAC-HNNXBMFYSA-N 1 1 360.458 1.999 50 0 FDAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2c(C)nn(C)c2C)cc1 ZINC000071282701 221338562 /nfs/dbraw/zinc/33/85/62/221338562.db2.gz FGXZGJJOVBGRGK-MRXNPFEDSA-N 1 1 361.442 1.695 50 0 FDAAMO Cn1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071575883 221352635 /nfs/dbraw/zinc/35/26/35/221352635.db2.gz MXPGHYLCSUKTNU-MRXNPFEDSA-N 1 1 373.501 1.359 50 0 FDAAMO Cc1ncoc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748708 221361224 /nfs/dbraw/zinc/36/12/24/221361224.db2.gz OPJYZHVESWUBMN-INIZCTEOSA-N 1 1 374.485 1.922 50 0 FDAAMO Cc1cccn2c(C[N@H+](C)C[C@@H]3CCCO3)c(C(=O)N3CCOCC3)nc12 ZINC000071754707 221365629 /nfs/dbraw/zinc/36/56/29/221365629.db2.gz JPTATYJEGXMKDV-INIZCTEOSA-N 1 1 372.469 1.726 50 0 FDAAMO Cc1cccn2c(C[N@@H+](C)C[C@@H]3CCCO3)c(C(=O)N3CCOCC3)nc12 ZINC000071754707 221365631 /nfs/dbraw/zinc/36/56/31/221365631.db2.gz JPTATYJEGXMKDV-INIZCTEOSA-N 1 1 372.469 1.726 50 0 FDAAMO CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)[nH]n1 ZINC000071759007 221366594 /nfs/dbraw/zinc/36/65/94/221366594.db2.gz KXBUJYIXCAHZBR-AWEZNQCLSA-N 1 1 373.501 1.567 50 0 FDAAMO CCc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071759007 221366597 /nfs/dbraw/zinc/36/65/97/221366597.db2.gz KXBUJYIXCAHZBR-AWEZNQCLSA-N 1 1 373.501 1.567 50 0 FDAAMO CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071759007 221366600 /nfs/dbraw/zinc/36/66/00/221366600.db2.gz KXBUJYIXCAHZBR-AWEZNQCLSA-N 1 1 373.501 1.567 50 0 FDAAMO Cc1ncncc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071711923 221355920 /nfs/dbraw/zinc/35/59/20/221355920.db2.gz FQNOMHWHHAVEFN-OAHLLOKOSA-N 1 1 371.485 1.380 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCCN(c4nc(N)cc[nH+]4)C3)CCC2=O)cn1 ZINC000077437833 132185295 /nfs/dbraw/zinc/18/52/95/132185295.db2.gz AACKPFSXCQOBBM-IBGZPJMESA-N 1 1 367.457 1.566 50 0 FDAAMO O=S1(=O)COCCN1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000091746017 132203660 /nfs/dbraw/zinc/20/36/60/132203660.db2.gz KGKSRQHSMUWBNJ-UHFFFAOYSA-N 1 1 373.906 1.472 50 0 FDAAMO Cc1nonc1OCC[NH2+]C1CCN(c2cc(C)nc(N(C)C)n2)CC1 ZINC000095510761 132213230 /nfs/dbraw/zinc/21/32/30/132213230.db2.gz YLJUJZNDCZPIFV-UHFFFAOYSA-N 1 1 361.450 1.180 50 0 FDAAMO CCc1cc(N2CCC([NH2+][C@H]3CN4CCC3CC4)CC2)nc(N(C)C)n1 ZINC000095528189 132215034 /nfs/dbraw/zinc/21/50/34/132215034.db2.gz UTWMWGGJQQRSLX-SFHVURJKSA-N 1 1 358.534 1.758 50 0 FDAAMO CN(Cc1nc(-c2ccccn2)no1)c1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC000106242592 132240243 /nfs/dbraw/zinc/24/02/43/132240243.db2.gz RVRWGCSSVCQXTF-CYBMUJFWSA-N 1 1 367.413 1.519 50 0 FDAAMO C[NH+]1CCN(c2cc(OCCNC(=O)c3ccccc3F)ncn2)CC1 ZINC000038521389 136118667 /nfs/dbraw/zinc/11/86/67/136118667.db2.gz LYYWQWUOEFHOKG-UHFFFAOYSA-N 1 1 359.405 1.176 50 0 FDAAMO Cc1cc(C[NH+]2CCN(c3ncc(F)cn3)CC2)c(C)n1-n1cnnc1 ZINC000065463063 136136587 /nfs/dbraw/zinc/13/65/87/136136587.db2.gz AECKXXTYLYEYGK-UHFFFAOYSA-N 1 1 356.409 1.259 50 0 FDAAMO COc1ccc(-c2ccnc3nc(N4CC[NH+](C)CC4)[nH]c(=O)c23)cc1 ZINC000067320740 136137138 /nfs/dbraw/zinc/13/71/38/136137138.db2.gz HLIVODPPBJMGQD-UHFFFAOYSA-N 1 1 351.410 1.746 50 0 FDAAMO Cc1cc2c(c(-c3cc(N4CCN(C)CC4)nc(N)n3)c1)O[C@@H](C[NH3+])C2 ZINC000067641931 136137344 /nfs/dbraw/zinc/13/73/44/136137344.db2.gz LMDHUJLJKNXVNA-CQSZACIVSA-N 1 1 354.458 1.048 50 0 FDAAMO NC(=O)c1cccnc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071748230 136140043 /nfs/dbraw/zinc/14/00/43/136140043.db2.gz AEVKLPIANZOMBL-CQSZACIVSA-N 1 1 371.485 1.140 50 0 FDAAMO CNc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071754260 136140395 /nfs/dbraw/zinc/14/03/95/136140395.db2.gz IYDMTAKRTKUKLL-CQSZACIVSA-N 1 1 358.490 1.478 50 0 FDAAMO CCc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH2+]C)C2)nc(N(C)C)n1 ZINC000072429527 136146848 /nfs/dbraw/zinc/14/68/48/136146848.db2.gz HVBCIUHHMWHCPD-GOEBONIOSA-N 1 1 360.506 1.142 50 0 FDAAMO CN(C)c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cn1 ZINC000091745696 221790809 /nfs/dbraw/zinc/79/08/09/221790809.db2.gz XMDLPHUWXVNCHV-GOEBONIOSA-N 1 1 372.498 1.622 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cn1 ZINC000091745696 221790811 /nfs/dbraw/zinc/79/08/11/221790811.db2.gz XMDLPHUWXVNCHV-GOEBONIOSA-N 1 1 372.498 1.622 50 0 FDAAMO Cc1cnc(C[NH+]2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1 ZINC000096152592 222055143 /nfs/dbraw/zinc/05/51/43/222055143.db2.gz WGRJYNUNAZGNOT-UHFFFAOYSA-N 1 1 371.489 1.125 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CCc2scnc2C)C[N@@H+]1C ZINC000096162647 222061736 /nfs/dbraw/zinc/06/17/36/222061736.db2.gz DFHRQAZKBXVIFV-KBPBESRZSA-N 1 1 352.504 1.441 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)CCc2scnc2C)C[N@H+]1C ZINC000096162647 222061738 /nfs/dbraw/zinc/06/17/38/222061738.db2.gz DFHRQAZKBXVIFV-KBPBESRZSA-N 1 1 352.504 1.441 50 0 FDAAMO O=C(N[C@@H]1CCCN(Cc2cccs2)C1)C1CC[NH+](CCO)CC1 ZINC000097307870 222174895 /nfs/dbraw/zinc/17/48/95/222174895.db2.gz QFVBXCXSUHLURK-MRXNPFEDSA-N 1 1 351.516 1.533 50 0 FDAAMO CN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)o2)c2sccc2S1(=O)=O ZINC000097474939 222182510 /nfs/dbraw/zinc/18/25/10/222182510.db2.gz ZIGUUYUQTVMELX-NSHDSACASA-N 1 1 369.468 1.508 50 0 FDAAMO O=C(c1ccoc1)N1CCC2(CC[NH+](Cc3cnc[nH]3)CC2)[C@H](CO)C1 ZINC000097505556 222187079 /nfs/dbraw/zinc/18/70/79/222187079.db2.gz IXWKESDHPLLDPV-INIZCTEOSA-N 1 1 358.442 1.740 50 0 FDAAMO CC(C)=CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccnc1)CC2 ZINC000097657292 222203589 /nfs/dbraw/zinc/20/35/89/222203589.db2.gz UXBZQFAESVANMM-UHFFFAOYSA-N 1 1 368.485 1.948 50 0 FDAAMO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc2c(c1)OCO2 ZINC000100936686 222258179 /nfs/dbraw/zinc/25/81/79/222258179.db2.gz HLWIOUDNWQLNRK-ZDUSSCGKSA-N 1 1 368.345 1.566 50 0 FDAAMO O=C1NCCN2CC[N@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]12 ZINC000106273693 222385165 /nfs/dbraw/zinc/38/51/65/222385165.db2.gz VHESTGUQFXNCQZ-HXUWFJFHSA-N 1 1 351.450 1.882 50 0 FDAAMO O=C1NCCN2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C[C@H]12 ZINC000106273693 222385167 /nfs/dbraw/zinc/38/51/67/222385167.db2.gz VHESTGUQFXNCQZ-HXUWFJFHSA-N 1 1 351.450 1.882 50 0 FDAAMO Cc1cnc(N)c(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000329073675 259075744 /nfs/dbraw/zinc/07/57/44/259075744.db2.gz AYDFIMLNVNOZAW-UHFFFAOYSA-N 1 1 361.471 1.310 50 0 FDAAMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000330803995 259163707 /nfs/dbraw/zinc/16/37/07/259163707.db2.gz IQQMBQULKYASOG-UONOGXRCSA-N 1 1 357.248 1.319 50 0 FDAAMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000330803995 259163708 /nfs/dbraw/zinc/16/37/08/259163708.db2.gz IQQMBQULKYASOG-UONOGXRCSA-N 1 1 357.248 1.319 50 0 FDAAMO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000006598536 518377458 /nfs/dbraw/zinc/37/74/58/518377458.db2.gz CITOWIXJIRYUSO-UHFFFAOYSA-N 1 1 353.488 1.916 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937438 518393747 /nfs/dbraw/zinc/39/37/47/518393747.db2.gz BOJMYTRSKYSVQU-CQSZACIVSA-N 1 1 367.453 1.868 50 0 FDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)C2=O ZINC000007443449 518419919 /nfs/dbraw/zinc/41/99/19/518419919.db2.gz ZFHDWIIPLQYUBU-OOWFEOPPSA-N 1 1 350.463 1.496 50 0 FDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)C2=O ZINC000007443439 518420808 /nfs/dbraw/zinc/42/08/08/518420808.db2.gz ZFHDWIIPLQYUBU-MBIJGJCISA-N 1 1 350.463 1.496 50 0 FDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2=O ZINC000007443439 518420813 /nfs/dbraw/zinc/42/08/13/518420813.db2.gz ZFHDWIIPLQYUBU-MBIJGJCISA-N 1 1 350.463 1.496 50 0 FDAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000011695648 518569813 /nfs/dbraw/zinc/56/98/13/518569813.db2.gz PHMZRWVRPGWNKG-UHFFFAOYSA-N 1 1 352.394 1.972 50 0 FDAAMO O=C(CN1CCC(O)CC1)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011814948 518572986 /nfs/dbraw/zinc/57/29/86/518572986.db2.gz XEULUDSGKPHHJB-LJQANCHMSA-N 1 1 359.514 1.657 50 0 FDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1cccs1)[NH+]1CCCC1 ZINC000011898238 518577035 /nfs/dbraw/zinc/57/70/35/518577035.db2.gz TVPKATQTRFZMMO-INIZCTEOSA-N 1 1 360.483 1.656 50 0 FDAAMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012432830 518612083 /nfs/dbraw/zinc/61/20/83/518612083.db2.gz XDOWGFOTSDAMGB-QGZVFWFLSA-N 1 1 352.438 1.466 50 0 FDAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000012915631 518641298 /nfs/dbraw/zinc/64/12/98/518641298.db2.gz RDIMAWBFLLUOSQ-ZDUSSCGKSA-N 1 1 353.850 1.441 50 0 FDAAMO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000012915631 518641303 /nfs/dbraw/zinc/64/13/03/518641303.db2.gz RDIMAWBFLLUOSQ-ZDUSSCGKSA-N 1 1 353.850 1.441 50 0 FDAAMO CCc1ccc(C[N@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000013002576 518646735 /nfs/dbraw/zinc/64/67/35/518646735.db2.gz GNRGFLQALRBRGS-LJQANCHMSA-N 1 1 367.449 1.960 50 0 FDAAMO CCc1ccc(C[N@@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000013002576 518646740 /nfs/dbraw/zinc/64/67/40/518646740.db2.gz GNRGFLQALRBRGS-LJQANCHMSA-N 1 1 367.449 1.960 50 0 FDAAMO Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793780 518882246 /nfs/dbraw/zinc/88/22/46/518882246.db2.gz VSCOHAUUZDZOGV-UHFFFAOYSA-N 1 1 373.501 1.851 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1C ZINC000024924626 519023042 /nfs/dbraw/zinc/02/30/42/519023042.db2.gz ZNOVFBQWIKMJKA-HNNXBMFYSA-N 1 1 365.474 1.895 50 0 FDAAMO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000026934292 519149116 /nfs/dbraw/zinc/14/91/16/519149116.db2.gz SMHGYBJNXBTNCM-CQSZACIVSA-N 1 1 362.426 1.474 50 0 FDAAMO CC(=O)Nc1nc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cs1 ZINC000032683039 519525350 /nfs/dbraw/zinc/52/53/50/519525350.db2.gz AQCHTKLSNVFTNV-UHFFFAOYSA-N 1 1 366.487 1.866 50 0 FDAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1 ZINC000035421558 519606110 /nfs/dbraw/zinc/60/61/10/519606110.db2.gz UKYMZHDSDNDKOL-UHFFFAOYSA-N 1 1 374.529 1.601 50 0 FDAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000036452043 519623118 /nfs/dbraw/zinc/62/31/18/519623118.db2.gz MOCSUWCZKSGIMC-KBXCAEBGSA-N 1 1 353.422 1.959 50 0 FDAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21 ZINC000036452043 519623123 /nfs/dbraw/zinc/62/31/23/519623123.db2.gz MOCSUWCZKSGIMC-KBXCAEBGSA-N 1 1 353.422 1.959 50 0 FDAAMO CCC(=O)N[C@H](CCSC)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040154936 519641697 /nfs/dbraw/zinc/64/16/97/519641697.db2.gz FECYCXCIRXWPGZ-QGZVFWFLSA-N 1 1 363.527 1.979 50 0 FDAAMO CC(C)NC(=O)CCc1cc2n(n1)CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC000091494193 519704305 /nfs/dbraw/zinc/70/43/05/519704305.db2.gz WACITBWOEPRGNV-HNNXBMFYSA-N 1 1 361.490 1.024 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)Cn3ccccc3=O)cc2C1 ZINC000082158259 519723148 /nfs/dbraw/zinc/72/31/48/519723148.db2.gz QJMRBBKDAGFOHN-UHFFFAOYSA-N 1 1 357.458 1.223 50 0 FDAAMO CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC000089984945 520478685 /nfs/dbraw/zinc/47/86/85/520478685.db2.gz OULLXLKXHLQRLO-ZBFHGGJFSA-N 1 1 366.531 1.979 50 0 FDAAMO CC[NH+](CC)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020449745 520754729 /nfs/dbraw/zinc/75/47/29/520754729.db2.gz HSDXROGTTLNBFE-GOSISDBHSA-N 1 1 365.518 1.524 50 0 FDAAMO CCOC(=O)c1n[nH]cc1CN1CC[N@@H+](CCC(C)C)[C@H](CCO)C1 ZINC000043022865 521810086 /nfs/dbraw/zinc/81/00/86/521810086.db2.gz DKPLSRFOWKWTJT-MRXNPFEDSA-N 1 1 352.479 1.501 50 0 FDAAMO Cn1nnnc1-c1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000043937154 521911414 /nfs/dbraw/zinc/91/14/14/521911414.db2.gz OALSHNGDYBUHIX-AWEZNQCLSA-N 1 1 355.402 1.895 50 0 FDAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NCCCOC)c2C)C1 ZINC000069569163 521915801 /nfs/dbraw/zinc/91/58/01/521915801.db2.gz MJWZQLGHLOMYHH-UHFFFAOYSA-N 1 1 357.458 1.720 50 0 FDAAMO Cn1c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(=O)n(C)c1=O ZINC000057378634 522079173 /nfs/dbraw/zinc/07/91/73/522079173.db2.gz WAWXZHWTJLQESP-MRXNPFEDSA-N 1 1 371.437 1.582 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H](c1cccnc1)[NH+]1CCCC1)C2 ZINC000072121748 522153713 /nfs/dbraw/zinc/15/37/13/522153713.db2.gz HQLKNEIAVPAPQP-KRWDZBQOSA-N 1 1 353.426 1.195 50 0 FDAAMO CCc1ccc2occ(CC(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CCCC3)c2c1 ZINC000072124228 522156081 /nfs/dbraw/zinc/15/60/81/522156081.db2.gz QKTVOTJDYDBLJR-GOSISDBHSA-N 1 1 369.465 1.961 50 0 FDAAMO Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000057801448 522158596 /nfs/dbraw/zinc/15/85/96/522158596.db2.gz XYLZHHNHHIZDEB-CQSZACIVSA-N 1 1 352.394 1.829 50 0 FDAAMO COc1cccc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)C)c1OC ZINC000072147266 522173897 /nfs/dbraw/zinc/17/38/97/522173897.db2.gz MVCGJZLFZFJEQW-OAHLLOKOSA-N 1 1 363.458 1.167 50 0 FDAAMO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C(=O)c2cccc(N(C)C)c2)cn1 ZINC000072149715 522176209 /nfs/dbraw/zinc/17/62/09/522176209.db2.gz UHTYMYXKLUJBJG-SFHVURJKSA-N 1 1 367.453 1.509 50 0 FDAAMO O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072162875 522188481 /nfs/dbraw/zinc/18/84/81/522188481.db2.gz DNVJWPXAXPVRIQ-GOSISDBHSA-N 1 1 360.389 1.047 50 0 FDAAMO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000057941826 522190695 /nfs/dbraw/zinc/19/06/95/522190695.db2.gz ANUUSDAMJBBMOF-RBUKOAKNSA-N 1 1 364.486 1.369 50 0 FDAAMO O=C(c1ccccc1-c1nnc[nH]1)N1CCC[C@@H]([NH+]2CCC(CO)CC2)C1 ZINC000072167472 522194486 /nfs/dbraw/zinc/19/44/86/522194486.db2.gz YRKCJFNLCNSJQT-MRXNPFEDSA-N 1 1 369.469 1.781 50 0 FDAAMO O=S(=O)(c1c(F)cccc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000058168972 522214123 /nfs/dbraw/zinc/21/41/23/522214123.db2.gz QPQYYMCSZJEBON-ZDUSSCGKSA-N 1 1 360.426 1.840 50 0 FDAAMO O=S(=O)(c1c(F)cccc1F)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000058168972 522214131 /nfs/dbraw/zinc/21/41/31/522214131.db2.gz QPQYYMCSZJEBON-ZDUSSCGKSA-N 1 1 360.426 1.840 50 0 FDAAMO CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1F ZINC000046141027 522233267 /nfs/dbraw/zinc/23/32/67/522233267.db2.gz KEMCQLCRUCTZRQ-UHFFFAOYSA-N 1 1 371.478 1.303 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCn2nc(CN3CCSCC3)cc2C1 ZINC000072421520 522251064 /nfs/dbraw/zinc/25/10/64/522251064.db2.gz AWOHGIVQFWWOGM-UHFFFAOYSA-N 1 1 374.514 1.233 50 0 FDAAMO OCCNc1nc(CC2CC2)nc2c1CC[N@@H+](Cc1cccnc1)CC2 ZINC000072433833 522272304 /nfs/dbraw/zinc/27/23/04/522272304.db2.gz WGOMNJIIVVCZDG-UHFFFAOYSA-N 1 1 353.470 1.829 50 0 FDAAMO C[NH+]1CCC(N(CCc2ccccc2)C(=O)CN2CCC[C@@H](O)C2)CC1 ZINC000072433573 522273015 /nfs/dbraw/zinc/27/30/15/522273015.db2.gz CRAPKDVGPQQRKR-HXUWFJFHSA-N 1 1 359.514 1.609 50 0 FDAAMO O=C(c1ccc(F)c(F)c1)C1CCN(C(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000072438964 522277805 /nfs/dbraw/zinc/27/78/05/522277805.db2.gz SCZCSTWEQWODII-QGZVFWFLSA-N 1 1 374.391 1.996 50 0 FDAAMO COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000072454815 522285187 /nfs/dbraw/zinc/28/51/87/522285187.db2.gz BVKVQERYOZVCDK-KRWDZBQOSA-N 1 1 352.398 1.312 50 0 FDAAMO [NH3+]CCN1CCC[C@]2(C(=O)[O-])C[N@@H+](Cc3cccc(F)c3F)CC[C@@H]12 ZINC000072470747 522292032 /nfs/dbraw/zinc/29/20/32/522292032.db2.gz DDMSEDLDNBHCRD-QAPCUYQASA-N 1 1 353.413 1.665 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776106 522753294 /nfs/dbraw/zinc/75/32/94/522753294.db2.gz ZTZDMZPIZWNSNL-INIZCTEOSA-N 1 1 367.453 1.613 50 0 FDAAMO CC[NH+]1CCN(C(=O)Cn2c3ccccc3c3cnn(C)c(=O)c32)CC1 ZINC000064775833 522753462 /nfs/dbraw/zinc/75/34/62/522753462.db2.gz ZMQYGLGKPXRENO-UHFFFAOYSA-N 1 1 353.426 1.052 50 0 FDAAMO COc1cc(OC)cc(C(=O)N2CCC[N@@H+](CCn3cccn3)CC2)c1 ZINC000075162602 522886814 /nfs/dbraw/zinc/88/68/14/522886814.db2.gz RQHCURWVLYERJD-UHFFFAOYSA-N 1 1 358.442 1.748 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000075572859 522936122 /nfs/dbraw/zinc/93/61/22/522936122.db2.gz WEHHPWPQDZIFPU-LBPRGKRZSA-N 1 1 361.364 1.721 50 0 FDAAMO C[NH+]1CCN(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CC1 ZINC000052710224 523253326 /nfs/dbraw/zinc/25/33/26/523253326.db2.gz JQJLTWPKHVXNKC-UHFFFAOYSA-N 1 1 352.485 1.933 50 0 FDAAMO O=C1CC[C@@]2(O)[C@H]3[C@H](O)c4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000077300751 523288873 /nfs/dbraw/zinc/28/88/73/523288873.db2.gz SPLLFLBLAXVPPQ-LFZDHENXSA-N 1 1 357.406 1.016 50 0 in-vitro FDAAMO O=C1CC[C@@]2(O)[C@H]3[C@H](O)c4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000077300751 523288888 /nfs/dbraw/zinc/28/88/88/523288888.db2.gz SPLLFLBLAXVPPQ-LFZDHENXSA-N 1 1 357.406 1.016 50 0 in-vitro FDAAMO CC1CCN(C(=O)COc2ccccc2C[N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC000077407650 523328289 /nfs/dbraw/zinc/32/82/89/523328289.db2.gz UCGMVFBRPRLGKH-SFHVURJKSA-N 1 1 362.470 1.517 50 0 FDAAMO CC1CCN(C(=O)COc2ccccc2C[N@H+]2CCOC[C@@H](O)C2)CC1 ZINC000077407650 523328301 /nfs/dbraw/zinc/32/83/01/523328301.db2.gz UCGMVFBRPRLGKH-SFHVURJKSA-N 1 1 362.470 1.517 50 0 FDAAMO C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000077406717 523328401 /nfs/dbraw/zinc/32/84/01/523328401.db2.gz QCSJTWCCUJIOSJ-INIZCTEOSA-N 1 1 365.499 1.329 50 0 FDAAMO O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000077423699 523332512 /nfs/dbraw/zinc/33/25/12/523332512.db2.gz WFFVLPHUTIYASO-CQSZACIVSA-N 1 1 353.850 1.745 50 0 FDAAMO CC(=O)N1CCc2c(nc(N(C)C)nc2NCCCn2cc[nH+]c2C)C1 ZINC000077506130 523365897 /nfs/dbraw/zinc/36/58/97/523365897.db2.gz BVQCUYLLBFOJGA-UHFFFAOYSA-N 1 1 357.462 1.454 50 0 FDAAMO C[N@@H+](CCCN1CC2(CCN(CC(N)=O)CC2)OC1=O)C1CCCCC1 ZINC000077523408 523371129 /nfs/dbraw/zinc/37/11/29/523371129.db2.gz SWYKRRFAQPWJGX-UHFFFAOYSA-N 1 1 366.506 1.413 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)Cc2ccc(C)c(C)c2)C1 ZINC000091364704 523618156 /nfs/dbraw/zinc/61/81/56/523618156.db2.gz OTDSPRFGFGIFMN-WOJBJXKFSA-N 1 1 362.514 1.881 50 0 FDAAMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CCC(=O)NC1CCCCCC1 ZINC000055133754 523753259 /nfs/dbraw/zinc/75/32/59/523753259.db2.gz BKKUCFCKKGAESM-MRXNPFEDSA-N 1 1 353.507 1.833 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)CCC(=O)Nc2cc(C)ccc2F)C1 ZINC000055370723 523802904 /nfs/dbraw/zinc/80/29/04/523802904.db2.gz BDNQBTPVIVKVSB-HNNXBMFYSA-N 1 1 365.449 1.937 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091595423 523806892 /nfs/dbraw/zinc/80/68/92/523806892.db2.gz HGKAIUDLRCCCOP-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091595423 523806897 /nfs/dbraw/zinc/80/68/97/523806897.db2.gz HGKAIUDLRCCCOP-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]2CO)CC1 ZINC000091595423 523806901 /nfs/dbraw/zinc/80/69/01/523806901.db2.gz HGKAIUDLRCCCOP-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000091425945 523806899 /nfs/dbraw/zinc/80/68/99/523806899.db2.gz VZJCLLKJXZJINH-DLBZAZTESA-N 1 1 367.453 1.608 50 0 FDAAMO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cnc(-c3ccccn3)nc1)C2 ZINC000091425945 523806902 /nfs/dbraw/zinc/80/69/02/523806902.db2.gz VZJCLLKJXZJINH-DLBZAZTESA-N 1 1 367.453 1.608 50 0 FDAAMO COc1ccccc1-n1cc(CNC(=O)[C@@H]([NH3+])c2c(C)n[nH]c2C)cn1 ZINC000091536015 524303796 /nfs/dbraw/zinc/30/37/96/524303796.db2.gz QMLQIPZCYDEFPD-KRWDZBQOSA-N 1 1 354.414 1.537 50 0 FDAAMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 ZINC000173690835 524435351 /nfs/dbraw/zinc/43/53/51/524435351.db2.gz SSRUOXNTFMGECC-GOSISDBHSA-N 1 1 359.470 1.262 50 0 FDAAMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)C1 ZINC000173690835 524435358 /nfs/dbraw/zinc/43/53/58/524435358.db2.gz SSRUOXNTFMGECC-GOSISDBHSA-N 1 1 359.470 1.262 50 0 FDAAMO Cc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)cc1 ZINC000091325862 524690678 /nfs/dbraw/zinc/69/06/78/524690678.db2.gz PQPXRYKBXZFPAN-MRXNPFEDSA-N 1 1 359.470 1.562 50 0 FDAAMO O=C(Cn1cccnc1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091468312 524711404 /nfs/dbraw/zinc/71/14/04/524711404.db2.gz VCSUXHFYILLOHG-ZWKOTPCHSA-N 1 1 352.438 1.366 50 0 FDAAMO CCc1c(C)nn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3C)c1C ZINC000091593626 524735159 /nfs/dbraw/zinc/73/51/59/524735159.db2.gz GXCUBURMLCOMDI-UHFFFAOYSA-N 1 1 370.501 1.791 50 0 FDAAMO [NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000091594762 524735612 /nfs/dbraw/zinc/73/56/12/524735612.db2.gz WCGINDXHXOUDOD-GOSISDBHSA-N 1 1 365.905 1.781 50 0 FDAAMO COc1cccc2c1OC[C@@H](C(=O)N1CC[NH+](CCn3cccc3)CC1)C2 ZINC000091625986 524745274 /nfs/dbraw/zinc/74/52/74/524745274.db2.gz NYAZJKLERKJMMA-SFHVURJKSA-N 1 1 369.465 1.892 50 0 FDAAMO C[N@@H+]1C[C@H](NC(=O)CC2CCS(=O)(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000091643570 524752644 /nfs/dbraw/zinc/75/26/44/524752644.db2.gz INHSWFOFTDRVCI-SJORKVTESA-N 1 1 350.484 1.415 50 0 FDAAMO C[N@H+]1C[C@H](NC(=O)CC2CCS(=O)(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000091643570 524752654 /nfs/dbraw/zinc/75/26/54/524752654.db2.gz INHSWFOFTDRVCI-SJORKVTESA-N 1 1 350.484 1.415 50 0 FDAAMO O=C(c1ccc2c(c1)CCC2)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091706477 524764208 /nfs/dbraw/zinc/76/42/08/524764208.db2.gz FZGKJYUIHAPPBT-IAGOWNOFSA-N 1 1 358.482 1.578 50 0 FDAAMO Cc1ccn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)n1 ZINC000091746242 524774950 /nfs/dbraw/zinc/77/49/50/524774950.db2.gz FHNZNOWDILJBLY-UHFFFAOYSA-N 1 1 370.501 1.947 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)C[C@@H]1CO ZINC000091782214 524783270 /nfs/dbraw/zinc/78/32/70/524783270.db2.gz ZMPOXAYMOWFBRS-ZIAGYGMSSA-N 1 1 369.893 1.220 50 0 FDAAMO COCCN1CC[C@]2(CN(Cc3cc(C)no3)CC[N@H+]2C)CCC1=O ZINC000091808872 524789255 /nfs/dbraw/zinc/78/92/55/524789255.db2.gz FPJBPBTYGHXPMB-SFHVURJKSA-N 1 1 350.463 1.128 50 0 FDAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3ccc(C(N)=O)cc3)C2)CCC1=O ZINC000091807902 524789559 /nfs/dbraw/zinc/78/95/59/524789559.db2.gz JYPOPEUAQQYIOW-FQEVSTJZSA-N 1 1 359.470 1.637 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCCSc2ccc(Cl)cc2)C1 ZINC000091817733 524792105 /nfs/dbraw/zinc/79/21/05/524792105.db2.gz NRIRVXDJHVIRCV-GFCCVEGCSA-N 1 1 355.891 1.746 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC000091951694 524815819 /nfs/dbraw/zinc/81/58/19/524815819.db2.gz TWHLCKVDFYTNLI-INIZCTEOSA-N 1 1 371.485 1.164 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)CC1 ZINC000091997501 524826986 /nfs/dbraw/zinc/82/69/86/524826986.db2.gz UYCJJHCUWSPSEH-QZTJIDSGSA-N 1 1 359.470 1.438 50 0 FDAAMO COCCN(C)CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000092077265 524844575 /nfs/dbraw/zinc/84/45/75/524844575.db2.gz KNMHOKRFFIBNOX-FXAWDEMLSA-N 1 1 371.525 1.655 50 0 FDAAMO C[NH+]1CCN(Cc2noc(CCc3nc(-c4ccccc4)no3)n2)CC1 ZINC000095353655 525030522 /nfs/dbraw/zinc/03/05/22/525030522.db2.gz TYBXSRXLGSUKTG-UHFFFAOYSA-N 1 1 354.414 1.652 50 0 FDAAMO O=C(NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1cccnc1 ZINC000095357501 525031331 /nfs/dbraw/zinc/03/13/31/525031331.db2.gz GPSLUCOGYCBIME-MRXNPFEDSA-N 1 1 356.426 1.433 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1c(C)nc3ccccn31)C2 ZINC000095357312 525032896 /nfs/dbraw/zinc/03/28/96/525032896.db2.gz KTSPGLUCZZFUBJ-IAGOWNOFSA-N 1 1 356.470 1.754 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1CO ZINC000095359339 525034978 /nfs/dbraw/zinc/03/49/78/525034978.db2.gz UQIRWZIJCHIKBC-HUUCEWRRSA-N 1 1 374.437 1.052 50 0 FDAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)CC1 ZINC000095358579 525035632 /nfs/dbraw/zinc/03/56/32/525035632.db2.gz GUINPZRAVMTMFJ-UHFFFAOYSA-N 1 1 357.458 1.188 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC[N@H+]2C)CCC1=O ZINC000095360923 525037307 /nfs/dbraw/zinc/03/73/07/525037307.db2.gz YFBAVYYEIIXPBS-HNNXBMFYSA-N 1 1 373.379 1.197 50 0 FDAAMO CCS(=O)(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095367643 525042747 /nfs/dbraw/zinc/04/27/47/525042747.db2.gz RRHGMDHDCVYHJR-ZTFGCOKTSA-N 1 1 364.467 1.627 50 0 FDAAMO CC[N@H+]1CCC[C@@](C)(C(=O)N2CCc3c(nc(CC4CC4)[nH]c3=O)C2)C1 ZINC000095373826 525047203 /nfs/dbraw/zinc/04/72/03/525047203.db2.gz OHMZEJDWURTNER-HXUWFJFHSA-N 1 1 358.486 1.729 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCC(N2CCOC2=O)CC1 ZINC000095497698 525080169 /nfs/dbraw/zinc/08/01/69/525080169.db2.gz GBUXWDLQZGGRHM-OAHLLOKOSA-N 1 1 361.442 1.935 50 0 FDAAMO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000095510612 525092476 /nfs/dbraw/zinc/09/24/76/525092476.db2.gz JDEQIOCYFQDXES-UHFFFAOYSA-N 1 1 356.474 1.738 50 0 FDAAMO COc1ccccc1CNC(=O)CC[N@@H+]1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000095522465 525100501 /nfs/dbraw/zinc/10/05/01/525100501.db2.gz RHQHQPZOJOVABH-ZWKOTPCHSA-N 1 1 361.486 1.794 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CCc2nc[nH]c(=O)c2CC1 ZINC000095525668 525103777 /nfs/dbraw/zinc/10/37/77/525103777.db2.gz MXNRSNXBZRKGFA-AWEZNQCLSA-N 1 1 356.426 1.202 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1nc(C)cc1N)CC2 ZINC000095530281 525105927 /nfs/dbraw/zinc/10/59/27/525105927.db2.gz RVVIEKHJTNRCMW-UHFFFAOYSA-N 1 1 371.489 1.283 50 0 FDAAMO O=C(CCc1nnc[nH]1)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000176856170 525188704 /nfs/dbraw/zinc/18/87/04/525188704.db2.gz OFTDOLOHKMNFPK-UHFFFAOYSA-N 1 1 368.441 1.663 50 0 FDAAMO CC1CCC(NC(=O)C[N@H+](C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000106130458 525623020 /nfs/dbraw/zinc/62/30/20/525623020.db2.gz CTHWWELQCXGTPQ-UHFFFAOYSA-N 1 1 361.534 1.974 50 0 FDAAMO CC1CCC(NC(=O)C[N@@H+](C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000106130458 525623026 /nfs/dbraw/zinc/62/30/26/525623026.db2.gz CTHWWELQCXGTPQ-UHFFFAOYSA-N 1 1 361.534 1.974 50 0 FDAAMO CC[C@@H](O)C[N@@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000169680683 525626045 /nfs/dbraw/zinc/62/60/45/525626045.db2.gz UTNINHOEWVCNDW-QZTJIDSGSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@@H](O)C[N@H+]1CCO[C@@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000169680683 525626055 /nfs/dbraw/zinc/62/60/55/525626055.db2.gz UTNINHOEWVCNDW-QZTJIDSGSA-N 1 1 368.449 1.386 50 0 FDAAMO COC(=O)c1ccc(F)c(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000170598135 525639512 /nfs/dbraw/zinc/63/95/12/525639512.db2.gz DHNBLJRYPDBZKQ-CYBMUJFWSA-N 1 1 366.437 1.760 50 0 FDAAMO C[C@H]1CN(C(=O)CCNC(=O)c2cccs2)CC[N@H+]1CC(C)(C)O ZINC000170602692 525641385 /nfs/dbraw/zinc/64/13/85/525641385.db2.gz RWOBRSHZUOGKEW-ZDUSSCGKSA-N 1 1 353.488 1.172 50 0 FDAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(=O)[nH]3)cc2)CC1 ZINC000170617910 525645779 /nfs/dbraw/zinc/64/57/79/525645779.db2.gz HYXBCNJWRSHCQF-UHFFFAOYSA-N 1 1 354.454 1.442 50 0 FDAAMO O=C(CCN1N=C(c2ccccc2)CCC1=O)NCCC[NH+]1CCOCC1 ZINC000020732387 526495954 /nfs/dbraw/zinc/49/59/54/526495954.db2.gz XEFSOZUNFJVMFK-UHFFFAOYSA-N 1 1 372.469 1.242 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(CC(=O)N1CCOCC1)C2 ZINC000091493483 526505506 /nfs/dbraw/zinc/50/55/06/526505506.db2.gz WPQFULYUSLIEKG-DLBZAZTESA-N 1 1 362.474 1.046 50 0 FDAAMO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)[nH]1 ZINC000091526479 526806050 /nfs/dbraw/zinc/80/60/50/526806050.db2.gz ZKOHPYFSTVWNQG-LSDHHAIUSA-N 1 1 357.462 1.200 50 0 FDAAMO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)[nH]1 ZINC000091526479 526806051 /nfs/dbraw/zinc/80/60/51/526806051.db2.gz ZKOHPYFSTVWNQG-LSDHHAIUSA-N 1 1 357.462 1.200 50 0 FDAAMO O=C(COc1ccc(O)cc1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000084405231 526964565 /nfs/dbraw/zinc/96/45/65/526964565.db2.gz SUUHWDDZAZPHHB-UHFFFAOYSA-N 1 1 373.428 1.849 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082156947 527692086 /nfs/dbraw/zinc/69/20/86/527692086.db2.gz NFINLFYHRCAERK-FQEVSTJZSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082156947 527692090 /nfs/dbraw/zinc/69/20/90/527692090.db2.gz NFINLFYHRCAERK-FQEVSTJZSA-N 1 1 370.501 1.899 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082156947 527692092 /nfs/dbraw/zinc/69/20/92/527692092.db2.gz NFINLFYHRCAERK-FQEVSTJZSA-N 1 1 370.501 1.899 50 0 FDAAMO CC1(C(=O)N2CC[C@@]3(O)CCN(c4cc(N)[nH+]cn4)C[C@H]3C2)CCCC1 ZINC000091625314 535277750 /nfs/dbraw/zinc/27/77/50/535277750.db2.gz FAWHPJKWIDRMMA-LIRRHRJNSA-N 1 1 359.474 1.429 50 0 FDAAMO COc1ccccc1N1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000299788270 537071257 /nfs/dbraw/zinc/07/12/57/537071257.db2.gz TYEWYTXZMLBJDF-AWEZNQCLSA-N 1 1 355.442 1.898 50 0 FDAAMO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1CO)C1(c2ccccc2)CC1 ZINC000257189678 537252587 /nfs/dbraw/zinc/25/25/87/537252587.db2.gz JRZHUJFVHZPWSM-QFBILLFUSA-N 1 1 351.450 1.722 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1CO)C1(c2ccccc2)CC1 ZINC000257189678 537252588 /nfs/dbraw/zinc/25/25/88/537252588.db2.gz JRZHUJFVHZPWSM-QFBILLFUSA-N 1 1 351.450 1.722 50 0 FDAAMO COc1cc(F)c(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc1OC ZINC000215520101 537439509 /nfs/dbraw/zinc/43/95/09/537439509.db2.gz YZAYZHFTSUBFFO-HOTGVXAUSA-N 1 1 354.422 1.110 50 0 FDAAMO O=C(COc1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1)N1CCOCC1 ZINC000215808147 537441597 /nfs/dbraw/zinc/44/15/97/537441597.db2.gz KAJDODZHDWAUIQ-LJQANCHMSA-N 1 1 373.497 1.594 50 0 FDAAMO O=C(CCc1cccnc1)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000219857141 537481934 /nfs/dbraw/zinc/48/19/34/537481934.db2.gz PLEVMRSVUMXSJP-UHFFFAOYSA-N 1 1 365.499 1.172 50 0 FDAAMO CC[N@H+]1CC[C@H](CNC(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1 ZINC000220676571 537494437 /nfs/dbraw/zinc/49/44/37/537494437.db2.gz DQSYFDDFUBOHAP-OAHLLOKOSA-N 1 1 364.511 1.970 50 0 FDAAMO C[NH+]1CCN(CCC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)CC1 ZINC000221406566 537499530 /nfs/dbraw/zinc/49/95/30/537499530.db2.gz CFZKASCIHXIUFK-NRFANRHFSA-N 1 1 373.541 1.856 50 0 FDAAMO COc1ccc2nc(CCN(C)C(=O)CN3CC[C@@H]([NH+](C)C)C3)[nH]c2c1 ZINC000223296005 537523210 /nfs/dbraw/zinc/52/32/10/537523210.db2.gz LCJOTPSPTXAVSB-CQSZACIVSA-N 1 1 359.474 1.208 50 0 FDAAMO CCCNc1ncc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000230201236 537579210 /nfs/dbraw/zinc/57/92/10/537579210.db2.gz LOEKTIFRNXRNAN-LJQANCHMSA-N 1 1 360.506 1.427 50 0 FDAAMO COCc1cc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N3CCCC3)n2)n[nH]1 ZINC000244602055 537647783 /nfs/dbraw/zinc/64/77/83/537647783.db2.gz DWWCMADOEMGDKB-BETUJISGSA-N 1 1 357.462 1.763 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+]1CCCN(C(=O)c3ccco3)CC1)O2 ZINC000244659734 537648716 /nfs/dbraw/zinc/64/87/16/537648716.db2.gz HHXJFLJFQXZEIW-OAHLLOKOSA-N 1 1 356.426 1.838 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@H+]1CCCN(C(=O)c3ccco3)CC1)O2 ZINC000244659734 537648720 /nfs/dbraw/zinc/64/87/20/537648720.db2.gz HHXJFLJFQXZEIW-OAHLLOKOSA-N 1 1 356.426 1.838 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@H+](C)Cc1cccc(-c3nn[nH]n3)c1)O2 ZINC000244633072 537648940 /nfs/dbraw/zinc/64/89/40/537648940.db2.gz FVYIWTHQAKGMIR-OAHLLOKOSA-N 1 1 351.414 1.709 50 0 FDAAMO Nc1nc(NCCc2nnc(-c3cccnc3)[nH]2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244678485 537649768 /nfs/dbraw/zinc/64/97/68/537649768.db2.gz IEFZRKWXJLGYTC-TXEJJXNPSA-N 1 1 351.418 1.098 50 0 FDAAMO CCn1ccnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000244734450 537650938 /nfs/dbraw/zinc/65/09/38/537650938.db2.gz NFRWKAPMNJGUOW-HNNXBMFYSA-N 1 1 355.442 1.820 50 0 FDAAMO O=C(CN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1)Nc1ccc(Cl)cc1F ZINC000244840228 537653214 /nfs/dbraw/zinc/65/32/14/537653214.db2.gz UJECIICPKFPVPR-HOTGVXAUSA-N 1 1 371.840 1.185 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)c2ccc(-c3nc(C)nn3C)cc2)C1 ZINC000584895069 551566005 /nfs/dbraw/zinc/56/60/05/551566005.db2.gz CYIBIMLHEHMXFQ-MRXNPFEDSA-N 1 1 371.485 1.879 50 0 FDAAMO O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000584893138 551566122 /nfs/dbraw/zinc/56/61/22/551566122.db2.gz CCCWBDSGFUYBEG-INIZCTEOSA-N 1 1 373.501 1.889 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)N1CCS(=O)(=O)CC1 ZINC000426434529 570605061 /nfs/dbraw/zinc/60/50/61/570605061.db2.gz SCFPDJPZDOGQTQ-QGZVFWFLSA-N 1 1 365.499 1.306 50 0 FDAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CCS(=O)(=O)CC1 ZINC000426434529 570605066 /nfs/dbraw/zinc/60/50/66/570605066.db2.gz SCFPDJPZDOGQTQ-QGZVFWFLSA-N 1 1 365.499 1.306 50 0 FDAAMO Cn1nncc1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)NCC2=CCCCC2)C1 ZINC000685940288 571099729 /nfs/dbraw/zinc/09/97/29/571099729.db2.gz CHVMNSPEQUKWAT-QFBILLFUSA-N 1 1 359.474 1.270 50 0 FDAAMO NC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000243915032 571112610 /nfs/dbraw/zinc/11/26/10/571112610.db2.gz BLYSUTFGNDDFNK-INIZCTEOSA-N 1 1 372.469 1.449 50 0 FDAAMO NC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1 ZINC000243915032 571112611 /nfs/dbraw/zinc/11/26/11/571112611.db2.gz BLYSUTFGNDDFNK-INIZCTEOSA-N 1 1 372.469 1.449 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3[nH]nc4c3COCC4)cc2C1 ZINC000244715975 571115035 /nfs/dbraw/zinc/11/50/35/571115035.db2.gz LGDDDKXPRYHRIO-UHFFFAOYSA-N 1 1 372.473 1.471 50 0 FDAAMO C[N@H+](CCC(=O)N1CC=C(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000252482670 571131882 /nfs/dbraw/zinc/13/18/82/571131882.db2.gz DLWSTVQLSPIXMW-GOSISDBHSA-N 1 1 362.495 1.811 50 0 FDAAMO C[N@@H+](CCC(=O)N1CC=C(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000252482670 571131883 /nfs/dbraw/zinc/13/18/83/571131883.db2.gz DLWSTVQLSPIXMW-GOSISDBHSA-N 1 1 362.495 1.811 50 0 FDAAMO COc1ccc2c(c1)CCN(c1cc([C@H]3CCOC3)[nH+]c(NCCO)n1)C2 ZINC000426387252 571133869 /nfs/dbraw/zinc/13/38/69/571133869.db2.gz JOIXDYZGBHVHED-INIZCTEOSA-N 1 1 370.453 1.956 50 0 FDAAMO Cc1nc(C)c(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)s1 ZINC000426490663 571134212 /nfs/dbraw/zinc/13/42/12/571134212.db2.gz VFHFAIQFHNDYMA-GFCCVEGCSA-N 1 1 361.471 1.847 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(OC)nc(N)n2)cc1 ZINC000426684538 571135579 /nfs/dbraw/zinc/13/55/79/571135579.db2.gz RJFZAGSPWOVUAP-OAHLLOKOSA-N 1 1 355.442 1.949 50 0 FDAAMO CCN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426386486 571217842 /nfs/dbraw/zinc/21/78/42/571217842.db2.gz WKCJXMWVKRMHPH-NRFANRHFSA-N 1 1 373.497 1.988 50 0 FDAAMO Cc1n[nH]c(C)c1CCN(C)c1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426477978 571227376 /nfs/dbraw/zinc/22/73/76/571227376.db2.gz IAQGJDNZVMBTOB-AWEZNQCLSA-N 1 1 372.473 1.180 50 0 FDAAMO Cc1c(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cnn1C ZINC000426518398 571229757 /nfs/dbraw/zinc/22/97/57/571229757.db2.gz UVHMZTUQOTXSKY-INIZCTEOSA-N 1 1 373.505 1.069 50 0 FDAAMO CCc1csc(CCNC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)n1 ZINC000426544411 571231025 /nfs/dbraw/zinc/23/10/25/571231025.db2.gz PJJSLQBCHFKQIC-INIZCTEOSA-N 1 1 366.531 1.736 50 0 FDAAMO Cc1cc(NC(=O)NC[C@H]2COCC[N@H+](C)C2)ccc1N1CCCC1=O ZINC000426618071 571233547 /nfs/dbraw/zinc/23/35/47/571233547.db2.gz DUYKVTTTYSDSHB-OAHLLOKOSA-N 1 1 360.458 1.822 50 0 FDAAMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(-c3ccco3)nn2C)CC1 ZINC000252486852 571280587 /nfs/dbraw/zinc/28/05/87/571280587.db2.gz HPIVGVPSSVCUIR-UHFFFAOYSA-N 1 1 360.418 1.012 50 0 FDAAMO CN1CCO[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000253393507 571311893 /nfs/dbraw/zinc/31/18/93/571311893.db2.gz DTPKRNVVLQBLKC-QMMMGPOBSA-N 1 1 353.229 1.168 50 0 FDAAMO C[N@@H+]1CCO[C@@H](CNCc2ncc(I)s2)C1 ZINC000253393507 571311894 /nfs/dbraw/zinc/31/18/94/571311894.db2.gz DTPKRNVVLQBLKC-QMMMGPOBSA-N 1 1 353.229 1.168 50 0 FDAAMO C[N@H+]1CCO[C@@H](CNCc2ncc(I)s2)C1 ZINC000253393507 571311895 /nfs/dbraw/zinc/31/18/95/571311895.db2.gz DTPKRNVVLQBLKC-QMMMGPOBSA-N 1 1 353.229 1.168 50 0 FDAAMO Cc1cc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)no1 ZINC000670441456 571348952 /nfs/dbraw/zinc/34/89/52/571348952.db2.gz KINBDEDHJGEAAA-VDUSKEEQSA-N 1 1 352.438 1.280 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c(C)cc1Cl ZINC000670465624 571358570 /nfs/dbraw/zinc/35/85/70/571358570.db2.gz LJCYIIDDMUMBAS-CQSZACIVSA-N 1 1 360.907 1.939 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c(C)cc1Cl ZINC000670465624 571358569 /nfs/dbraw/zinc/35/85/69/571358569.db2.gz LJCYIIDDMUMBAS-CQSZACIVSA-N 1 1 360.907 1.939 50 0 FDAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000012320429 670612072 /nfs/dbraw/zinc/61/20/72/670612072.db2.gz BVDLYXPGVMDSSP-QGZVFWFLSA-N 1 1 360.483 1.804 50 0 FDAAMO CCC[C@H]1C[N@H+](CC(N)=O)C[C@@H]1NC(=O)CCc1cccc(Cl)c1 ZINC000091943203 671513956 /nfs/dbraw/zinc/51/39/56/671513956.db2.gz MABHLTAKYFVQHV-HOCLYGCPSA-N 1 1 351.878 1.975 50 0 FDAAMO CCC[C@H]1C[N@@H+](CC(N)=O)C[C@@H]1NC(=O)CCc1cccc(Cl)c1 ZINC000091943203 671513958 /nfs/dbraw/zinc/51/39/58/671513958.db2.gz MABHLTAKYFVQHV-HOCLYGCPSA-N 1 1 351.878 1.975 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000252486367 672593586 /nfs/dbraw/zinc/59/35/86/672593586.db2.gz HKUUTVVPYYEKTR-LBPRGKRZSA-N 1 1 354.834 1.348 50 0 FDAAMO C[C@@H]1CN(C(=O)NC2CCC(CS(C)(=O)=O)CC2)CC[N@H+](C2CC2)C1 ZINC000334099646 676780530 /nfs/dbraw/zinc/78/05/30/676780530.db2.gz VKTNZBDGHKCKRQ-FHERZECASA-N 1 1 371.547 1.716 50 0 FDAAMO CCn1ccc(C(=O)N2CCC([N@H+]3C[C@@H](OC)C34CCOCC4)CC2)n1 ZINC000581802599 787011736 /nfs/dbraw/zinc/01/17/36/787011736.db2.gz MZGRALQBHQCDRK-QGZVFWFLSA-N 1 1 362.474 1.387 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1CO)c1cccnc1 ZINC000257181828 793919907 /nfs/dbraw/zinc/91/99/07/793919907.db2.gz FYGANMHGRJNCQA-PKOBYXMFSA-N 1 1 350.422 1.786 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cnccn2)C1 ZINC000257183553 793942243 /nfs/dbraw/zinc/94/22/43/793942243.db2.gz HQFUYYQIIKXQSO-DOTOQJQBSA-N 1 1 356.426 1.098 50 0 FDAAMO CCOc1ccccc1C[N@H+]1C[C@@H](CO)[C@H](NC(=O)c2cnccn2)C1 ZINC000257183553 793942247 /nfs/dbraw/zinc/94/22/47/793942247.db2.gz HQFUYYQIIKXQSO-DOTOQJQBSA-N 1 1 356.426 1.098 50 0 FDAAMO CCn1ccc(C(=O)N2CCC3(C[C@H](c4nc(C)no4)[N@H+](C)C3)CC2)n1 ZINC000257186452 793960871 /nfs/dbraw/zinc/96/08/71/793960871.db2.gz ZDRIYBYEXXEDHR-OAHLLOKOSA-N 1 1 358.446 1.894 50 0 FDAAMO CCn1ccc(C(=O)N2CCC3(C[C@H](c4nc(C)no4)[N@@H+](C)C3)CC2)n1 ZINC000257186452 793960875 /nfs/dbraw/zinc/96/08/75/793960875.db2.gz ZDRIYBYEXXEDHR-OAHLLOKOSA-N 1 1 358.446 1.894 50 0 FDAAMO CC(C)(C)C(=O)N1CCC2(CC1)[NH2+][C@H](C(=O)N1CCCC1)Cc1nc[nH]c12 ZINC000675015663 795227676 /nfs/dbraw/zinc/22/76/76/795227676.db2.gz ZPMGYBVYIBFHGA-HNNXBMFYSA-N 1 1 373.501 1.410 50 0 FDAAMO Cc1cccc(-n2cc(CN3CC[N@H+](C)[C@@]4(C3)CCNC(=O)CC4)cn2)c1 ZINC000107422642 808374750 /nfs/dbraw/zinc/37/47/50/808374750.db2.gz LDCWYSBGLNMRQT-OAQYLSRUSA-N 1 1 367.497 1.967 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O ZINC000252479922 810450172 /nfs/dbraw/zinc/45/01/72/810450172.db2.gz BPZCQIBNEITKQL-IRXDYDNUSA-N 1 1 358.442 1.010 50 0 FDAAMO O=C1CCCN1CCCN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000169760658 864490993 /nfs/dbraw/zinc/49/09/93/864490993.db2.gz KZPIXOJFNSLLJF-CALCHBBNSA-N 1 1 355.438 1.116 50 0 FDAAMO O=C(CN1CCC[N@H+](C2CC2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172345841 865575368 /nfs/dbraw/zinc/57/53/68/865575368.db2.gz VPPUUMPUCSGXIB-IBGZPJMESA-N 1 1 361.461 1.896 50 0 FDAAMO CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000012595549 888010984 /nfs/dbraw/zinc/01/09/84/888010984.db2.gz ATMZLHWGOYPQEV-SFHVURJKSA-N 1 1 370.453 1.456 50 0 FDAAMO CN(Cc1ccon1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000012595549 888010992 /nfs/dbraw/zinc/01/09/92/888010992.db2.gz ATMZLHWGOYPQEV-SFHVURJKSA-N 1 1 370.453 1.456 50 0 FDAAMO CCn1cc(C[NH+]2CCC3(CC2)CN(CCc2nccn2C)CCO3)cn1 ZINC000823603718 921972533 /nfs/dbraw/zinc/97/25/33/921972533.db2.gz LYRDEIZDMPMGNM-UHFFFAOYSA-N 1 1 372.517 1.546 50 0 FDAAMO COc1c2c(c(Br)c3c1[C@@H](CC(N)=O)[N@@H+](C)CC3)OCO2 ZINC000824528198 923028641 /nfs/dbraw/zinc/02/86/41/923028641.db2.gz DWTJLKWXSTXANA-MRVPVSSYSA-N 1 1 357.204 1.591 50 0 FDAAMO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000826838729 924341595 /nfs/dbraw/zinc/34/15/95/924341595.db2.gz NUEQSIVCNFHELY-LJQANCHMSA-N 1 1 372.513 1.438 50 0 FDAAMO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 ZINC000826838729 924341601 /nfs/dbraw/zinc/34/16/01/924341601.db2.gz NUEQSIVCNFHELY-LJQANCHMSA-N 1 1 372.513 1.438 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1C ZINC000827825800 924758191 /nfs/dbraw/zinc/75/81/91/924758191.db2.gz XZRLAMJLUUNDLB-UHFFFAOYSA-N 1 1 364.471 1.391 50 0 FDAAMO O=C(Cc1ccccn1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000828005719 924808378 /nfs/dbraw/zinc/80/83/78/924808378.db2.gz MCZQWXOVMDELGB-LPBNZCGVSA-N 1 1 362.477 1.308 50 0 FDAAMO Cn1cc(C(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000828196325 924844918 /nfs/dbraw/zinc/84/49/18/924844918.db2.gz QQOIDPJVINPZBT-HNNXBMFYSA-N 1 1 356.426 1.095 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000581785546 927579030 /nfs/dbraw/zinc/57/90/30/927579030.db2.gz MFOIWLZJWREAPF-IBGZPJMESA-N 1 1 373.497 1.796 50 0 FDAAMO COc1cccc(CN2C(=O)CCCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000581785165 927579088 /nfs/dbraw/zinc/57/90/88/927579088.db2.gz FJWRNTPDTYUBKE-GOSISDBHSA-N 1 1 359.470 1.740 50 0 FDAAMO Cn1cc(C(=O)N2CC([N@@H+](Cc3ccccc3)C3CCOCC3)C2)cn1 ZINC000581794830 927595283 /nfs/dbraw/zinc/59/52/83/927595283.db2.gz VBCNJSWHHFNYHL-UHFFFAOYSA-N 1 1 354.454 1.926 50 0 FDAAMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Nc1nc2c(cnn2C)c(=O)[nH]1 ZINC000585138476 944426126 /nfs/dbraw/zinc/42/61/26/944426126.db2.gz UWXGCXIVCPSQCB-CZUORRHYSA-N 1 1 352.442 1.813 50 0 FDAAMO Cc1ccc([C@H](NC(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)c2ccncc2)cc1 ZINC000952869645 960213168 /nfs/dbraw/zinc/21/31/68/960213168.db2.gz XOFRQTUFXBEQFE-QUCCMNQESA-N 1 1 366.465 1.793 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC000952871689 960219999 /nfs/dbraw/zinc/21/99/99/960219999.db2.gz BGOIEOYTBPUREY-HZMBPMFUSA-N 1 1 374.268 1.340 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC000952871690 960220077 /nfs/dbraw/zinc/22/00/77/960220077.db2.gz BGOIEOYTBPUREY-IINYFYTJSA-N 1 1 374.268 1.340 50 0 FDAAMO COCC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000952979715 960279742 /nfs/dbraw/zinc/27/97/42/960279742.db2.gz PHDHHKLHUUZYRJ-GFCCVEGCSA-N 1 1 369.443 1.122 50 0 FDAAMO Cc1ccc2[nH]c([C@H](NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)nc2c1 ZINC000952986189 960308277 /nfs/dbraw/zinc/30/82/77/960308277.db2.gz YUMHHZZLCXSDSX-KBXCAEBGSA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@H](NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986189 960308285 /nfs/dbraw/zinc/30/82/85/960308285.db2.gz YUMHHZZLCXSDSX-KBXCAEBGSA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@H](NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986189 960308290 /nfs/dbraw/zinc/30/82/90/960308290.db2.gz YUMHHZZLCXSDSX-KBXCAEBGSA-N 1 1 371.485 1.882 50 0 FDAAMO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)cn1 ZINC000096152800 1015040821 /nfs/dbraw/zinc/04/08/21/1015040821.db2.gz HLINMCAWXQKMJF-JXFKEZNVSA-N 1 1 374.485 1.145 50 0 FDAAMO CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)cn1 ZINC000096152800 1015040835 /nfs/dbraw/zinc/04/08/35/1015040835.db2.gz HLINMCAWXQKMJF-JXFKEZNVSA-N 1 1 374.485 1.145 50 0 FDAAMO CN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)cn1 ZINC000096152800 1015040845 /nfs/dbraw/zinc/04/08/45/1015040845.db2.gz HLINMCAWXQKMJF-JXFKEZNVSA-N 1 1 374.485 1.145 50 0 FDAAMO CN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C4CCOCC4)C[C@@]3(C(=O)[O-])C2)cn1 ZINC000096152800 1015040858 /nfs/dbraw/zinc/04/08/58/1015040858.db2.gz HLINMCAWXQKMJF-JXFKEZNVSA-N 1 1 374.485 1.145 50 0 FDAAMO COCCc1noc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]2CO)n1 ZINC000253404621 1008775575 /nfs/dbraw/zinc/77/55/75/1008775575.db2.gz HXFSZJUMSPDANC-JKSUJKDBSA-N 1 1 359.426 1.401 50 0 FDAAMO NC(=O)C[C@H](c1cccnc1)c1oc(C[NH+]2CCCCC2)cc(=O)c1O ZINC000253412539 210216085 /nfs/dbraw/zinc/21/60/85/210216085.db2.gz RHHIYFHCDOYDGP-OAHLLOKOSA-N 1 1 357.410 1.734 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)Nc1cnn(Cc2ccccc2F)c1 ZINC000299802661 210043257 /nfs/dbraw/zinc/04/32/57/210043257.db2.gz VGHCCHBLNXAMEI-UHFFFAOYSA-N 1 1 361.421 1.914 50 0 FDAAMO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](Nc3ncccn3)[C@H](O)C1)CO2 ZINC000299792560 210034496 /nfs/dbraw/zinc/03/44/96/210034496.db2.gz FRSIRKXEIAFNRF-QZTJIDSGSA-N 1 1 368.437 1.808 50 0 FDAAMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](Nc3ncccn3)[C@H](O)C1)CO2 ZINC000299792560 210034498 /nfs/dbraw/zinc/03/44/98/210034498.db2.gz FRSIRKXEIAFNRF-QZTJIDSGSA-N 1 1 368.437 1.808 50 0 FDAAMO O=C(CCN1CCCCCC1=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000299789615 210030293 /nfs/dbraw/zinc/03/02/93/210030293.db2.gz YSOHOLCFKSTOCU-GOSISDBHSA-N 1 1 358.486 1.955 50 0 FDAAMO O=C(CCN1CCCCCC1=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000299789615 210030299 /nfs/dbraw/zinc/03/02/99/210030299.db2.gz YSOHOLCFKSTOCU-GOSISDBHSA-N 1 1 358.486 1.955 50 0 FDAAMO C[NH+](C)CCCOc1cccc(CN2CC[C@@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299782001 210025002 /nfs/dbraw/zinc/02/50/02/210025002.db2.gz DGVMZACGXHYIEM-PMACEKPBSA-N 1 1 371.485 1.954 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O ZINC000299779764 210023832 /nfs/dbraw/zinc/02/38/32/210023832.db2.gz KZQAXLVVDAJHSD-HUUCEWRRSA-N 1 1 363.487 1.044 50 0 FDAAMO COC[C@@H]1CCCN1C(=O)Nc1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000299775706 210021647 /nfs/dbraw/zinc/02/16/47/210021647.db2.gz GWNRWOGEQCRYCC-KRWDZBQOSA-N 1 1 360.458 1.717 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)CC[N@@H+](C)[C@@H]1CCN(C)C1)CC2 ZINC000299772034 210018535 /nfs/dbraw/zinc/01/85/35/210018535.db2.gz YAOZDGSNZTXYTD-QGZVFWFLSA-N 1 1 361.486 1.615 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)CCN(C)[C@@H]1CC[N@H+](C)C1)CC2 ZINC000299772034 210018539 /nfs/dbraw/zinc/01/85/39/210018539.db2.gz YAOZDGSNZTXYTD-QGZVFWFLSA-N 1 1 361.486 1.615 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)CCN(C)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000299772034 210018542 /nfs/dbraw/zinc/01/85/42/210018542.db2.gz YAOZDGSNZTXYTD-QGZVFWFLSA-N 1 1 361.486 1.615 50 0 FDAAMO CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2cc(NC)nc(N)[nH+]2)cc1 ZINC000534652346 540394756 /nfs/dbraw/zinc/39/47/56/540394756.db2.gz RBMCLUUXEIZJSD-LLVKDONJSA-N 1 1 366.429 1.292 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000063869657 212034963 /nfs/dbraw/zinc/03/49/63/212034963.db2.gz VMCBQXVCVBLGJK-HNNXBMFYSA-N 1 1 353.488 1.241 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000012712301 220020252 /nfs/dbraw/zinc/02/02/52/220020252.db2.gz HTFYZWSKYQNWBZ-OAHLLOKOSA-N 1 1 371.403 1.963 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000012712301 220020254 /nfs/dbraw/zinc/02/02/54/220020254.db2.gz HTFYZWSKYQNWBZ-OAHLLOKOSA-N 1 1 371.403 1.963 50 0 FDAAMO Cc1cc(C(=O)NC2CC[NH+](CC(=O)NCc3ccccc3)CC2)no1 ZINC000058325966 212004749 /nfs/dbraw/zinc/00/47/49/212004749.db2.gz YPYXLUSGOLOJNV-UHFFFAOYSA-N 1 1 356.426 1.494 50 0 FDAAMO CC[C@](C)(CNC(=O)Nc1cccc(-c2nnnn2C)c1)[NH+]1CCOCC1 ZINC000043935055 211794696 /nfs/dbraw/zinc/79/46/96/211794696.db2.gz WEVOOHRNFMXIFK-GOSISDBHSA-N 1 1 373.461 1.500 50 0 FDAAMO Cn1nccc1COCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000283244286 182137798 /nfs/dbraw/zinc/13/77/98/182137798.db2.gz AVZQEBUKQBAFRT-UHFFFAOYSA-N 1 1 368.481 1.986 50 0 FDAAMO C[NH+]1CCN(C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019369714 220253278 /nfs/dbraw/zinc/25/32/78/220253278.db2.gz MOQULQNPQAOHCR-HNNXBMFYSA-N 1 1 373.291 1.453 50 0 FDAAMO COC(=O)c1ccc(-c2noc(C[N@H+](C)CCc3cnn(C)c3)n2)cc1 ZINC000023129495 211376859 /nfs/dbraw/zinc/37/68/59/211376859.db2.gz MQTIQZBJKOOEDM-UHFFFAOYSA-N 1 1 355.398 1.931 50 0 FDAAMO COC(=O)c1ccc(-c2noc(C[N@@H+](C)CCc3cnn(C)c3)n2)cc1 ZINC000023129495 211376864 /nfs/dbraw/zinc/37/68/64/211376864.db2.gz MQTIQZBJKOOEDM-UHFFFAOYSA-N 1 1 355.398 1.931 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(CN3CC[NH+](C(C)C)CC3)C2=O)c1 ZINC000022925752 211370874 /nfs/dbraw/zinc/37/08/74/211370874.db2.gz QHZKRBCPWFCZDI-NRFANRHFSA-N 1 1 359.514 1.875 50 0 FDAAMO Cn1cnc(S(=O)(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000021030699 211302479 /nfs/dbraw/zinc/30/24/79/211302479.db2.gz MWKZGQUNZQLXGG-INIZCTEOSA-N 1 1 374.510 1.879 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000020901680 211298838 /nfs/dbraw/zinc/29/88/38/211298838.db2.gz BLIIJCNERCYPSJ-INIZCTEOSA-N 1 1 359.474 1.575 50 0 FDAAMO Cc1ccc(N(CCCC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000020567961 211287026 /nfs/dbraw/zinc/28/70/26/211287026.db2.gz QWZBXDUWCQCYRS-UHFFFAOYSA-N 1 1 353.488 1.315 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3cccc(Cl)c3)C[C@H]2O)CC1 ZINC000020538835 211286141 /nfs/dbraw/zinc/28/61/41/211286141.db2.gz HPHCVIDUMODBIQ-PJHKVULZSA-N 1 1 363.889 1.562 50 0 FDAAMO Cc1cc2c(cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C)OCC(=O)N2 ZINC000020491765 211283340 /nfs/dbraw/zinc/28/33/40/211283340.db2.gz HHXOIFILGMMALQ-CYBMUJFWSA-N 1 1 367.471 1.479 50 0 FDAAMO CCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000015077555 211121928 /nfs/dbraw/zinc/12/19/28/211121928.db2.gz XKOHWNAWNAKYMP-QGZVFWFLSA-N 1 1 373.501 1.604 50 0 FDAAMO CC(C)C[N@H+]1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000014741953 211100229 /nfs/dbraw/zinc/10/02/29/211100229.db2.gz OYLLRMCAQBUYGK-GUDVDZBRSA-N 1 1 367.534 1.208 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712555 211052241 /nfs/dbraw/zinc/05/22/41/211052241.db2.gz NAIGWNGQIOHPQX-OAHLLOKOSA-N 1 1 373.906 1.659 50 0 FDAAMO COc1ccc2c(C)c(CC(=O)NCCC[NH+]3CCOCC3)c(=O)oc2c1 ZINC000013718880 211052364 /nfs/dbraw/zinc/05/23/64/211052364.db2.gz FYJWJAVYZSEEEP-UHFFFAOYSA-N 1 1 374.437 1.491 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715699 211051761 /nfs/dbraw/zinc/05/17/61/211051761.db2.gz PWBMGDITYMJIRY-HNNXBMFYSA-N 1 1 357.451 1.144 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)NCc3ccccn3)Cc3ccccc3C2)CC1 ZINC000019731177 220292425 /nfs/dbraw/zinc/29/24/25/220292425.db2.gz BBUPUEKRQZJTMK-UHFFFAOYSA-N 1 1 364.493 1.873 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H](NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000020654233 220338072 /nfs/dbraw/zinc/33/80/72/220338072.db2.gz KAROQMOPUYVYMY-GOSISDBHSA-N 1 1 373.478 1.480 50 0 FDAAMO O=C(C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2O)CC1)N1CCCC1 ZINC000056809371 221081890 /nfs/dbraw/zinc/08/18/90/221081890.db2.gz WLWDHDWBFVAMCW-UHFFFAOYSA-N 1 1 365.861 1.862 50 0 FDAAMO Cc1ccc([C@H](C(=O)NCc2ccc(S(N)(=O)=O)cc2)[NH+](C)C)cc1 ZINC000065384141 221207407 /nfs/dbraw/zinc/20/74/07/221207407.db2.gz MULGYCGOMAWZBT-QGZVFWFLSA-N 1 1 361.467 1.562 50 0 FDAAMO Cn1ccnc1[C@H](O)C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000065409348 221215514 /nfs/dbraw/zinc/21/55/14/221215514.db2.gz KJGDBMKJDZONKT-GOSISDBHSA-N 1 1 360.433 1.621 50 0 FDAAMO OCc1nc2ccccc2n1-c1ccc([C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000065410515 221216341 /nfs/dbraw/zinc/21/63/41/221216341.db2.gz FRGURKCHOLOEOH-IBGZPJMESA-N 1 1 353.422 1.883 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)COc1ccc2nncn2n1 ZINC000065436114 221220598 /nfs/dbraw/zinc/22/05/98/221220598.db2.gz XZGLFJBIDIOFHF-MRXNPFEDSA-N 1 1 366.425 1.018 50 0 FDAAMO CN1CCN2CC[N@H+](Cc3cnc(NCc4ccccc4)nc3)C[C@@H]2C1=O ZINC000065454504 221220792 /nfs/dbraw/zinc/22/07/92/221220792.db2.gz CTMXEOXKTQQDCF-GOSISDBHSA-N 1 1 366.469 1.047 50 0 FDAAMO CN1CCN2CC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)C[C@@H]2C1=O ZINC000065454504 221220797 /nfs/dbraw/zinc/22/07/97/221220797.db2.gz CTMXEOXKTQQDCF-GOSISDBHSA-N 1 1 366.469 1.047 50 0 FDAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(CN2CCOCC2)on1 ZINC000067562262 221259756 /nfs/dbraw/zinc/25/97/56/221259756.db2.gz OLMIXKJRFQDYMA-MAUKXSAKSA-N 1 1 362.474 1.501 50 0 FDAAMO COc1cccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)c1 ZINC000067629572 221263399 /nfs/dbraw/zinc/26/33/99/221263399.db2.gz TUIVQSUFNDRFCY-UHFFFAOYSA-N 1 1 371.441 1.472 50 0 FDAAMO CCNc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)[nH+]c(C)n1 ZINC000067621574 221263476 /nfs/dbraw/zinc/26/34/76/221263476.db2.gz NZIDAVQTJGHOQP-UHFFFAOYSA-N 1 1 362.459 1.123 50 0 FDAAMO C[N@H+]1C[C@H](NC(=O)c2cc(COc3c(F)cccc3F)on2)C[C@H]1CO ZINC000067713825 221275624 /nfs/dbraw/zinc/27/56/24/221275624.db2.gz JMGPNJQMUBCPQU-MNOVXSKESA-N 1 1 367.352 1.327 50 0 FDAAMO O=C(c1csc(-c2cccs2)n1)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067741454 221278868 /nfs/dbraw/zinc/27/88/68/221278868.db2.gz OWBPFOJIVZYZEL-UHFFFAOYSA-N 1 1 362.480 1.566 50 0 FDAAMO C[C@H](C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)n1cnc2ccccc21 ZINC000067804881 221288711 /nfs/dbraw/zinc/28/87/11/221288711.db2.gz NXPJMOPPHAUHLK-OAHLLOKOSA-N 1 1 369.469 1.410 50 0 FDAAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(S(=O)(=O)c3ccccc3)CC1)C2 ZINC000067757627 221282259 /nfs/dbraw/zinc/28/22/59/221282259.db2.gz PNGPQVHGVKSWMU-SFHVURJKSA-N 1 1 362.495 1.937 50 0 FDAAMO CCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000067770831 221283702 /nfs/dbraw/zinc/28/37/02/221283702.db2.gz GMCUHSMUIRNUSR-HNNXBMFYSA-N 1 1 358.446 1.519 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067788064 221286246 /nfs/dbraw/zinc/28/62/46/221286246.db2.gz RXMAKVRHYPELDO-IRXDYDNUSA-N 1 1 362.405 1.577 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000067852432 221295074 /nfs/dbraw/zinc/29/50/74/221295074.db2.gz NIJLGZFZTNWHIO-SFHVURJKSA-N 1 1 360.502 1.521 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)[nH]n1 ZINC000071388653 221345305 /nfs/dbraw/zinc/34/53/05/221345305.db2.gz WTOKYDZOLZVHKC-CQSZACIVSA-N 1 1 359.474 1.313 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071388653 221345308 /nfs/dbraw/zinc/34/53/08/221345308.db2.gz WTOKYDZOLZVHKC-CQSZACIVSA-N 1 1 359.474 1.313 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071388653 221345309 /nfs/dbraw/zinc/34/53/09/221345309.db2.gz WTOKYDZOLZVHKC-CQSZACIVSA-N 1 1 359.474 1.313 50 0 FDAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(CCCO)CC2)C1 ZINC000071404003 221345488 /nfs/dbraw/zinc/34/54/88/221345488.db2.gz PFFDESSSLGISCH-FQEVSTJZSA-N 1 1 373.541 1.904 50 0 FDAAMO CC[N@@H+](C)CC(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071746138 221358733 /nfs/dbraw/zinc/35/87/33/221358733.db2.gz NQPNGFVVJCSYNA-UHFFFAOYSA-N 1 1 360.458 1.557 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ncccn3)CC2)C1)N1CCOCC1 ZINC000071764580 221371281 /nfs/dbraw/zinc/37/12/81/221371281.db2.gz MNBDIEONGBEEIG-QGZVFWFLSA-N 1 1 373.501 1.012 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071764095 221371436 /nfs/dbraw/zinc/37/14/36/221371436.db2.gz WWIQNYDHQHDMNS-MRXNPFEDSA-N 1 1 366.469 1.949 50 0 FDAAMO O=C(NCCCCO)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071765318 221372377 /nfs/dbraw/zinc/37/23/77/221372377.db2.gz ILBKISUERDPJDK-LJQANCHMSA-N 1 1 374.529 1.647 50 0 FDAAMO O=C(c1cnccn1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768116 221372704 /nfs/dbraw/zinc/37/27/04/221372704.db2.gz OYIXSRXXAWDPPC-MRXNPFEDSA-N 1 1 371.485 1.416 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CC(c2ccccn2)C1 ZINC000072143696 221421140 /nfs/dbraw/zinc/42/11/40/221421140.db2.gz WPADFYZZHNSYFW-UHFFFAOYSA-N 1 1 352.442 1.171 50 0 FDAAMO Cc1ccc[nH+]c1N1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000091782435 132203881 /nfs/dbraw/zinc/20/38/81/132203881.db2.gz SZTLQOQMKCWETJ-UHFFFAOYSA-N 1 1 363.425 1.257 50 0 FDAAMO CCCCSc1nc(N2CCN(c3ncc[nH]c3=O)CC2)cc(N)[nH+]1 ZINC000095385982 132210050 /nfs/dbraw/zinc/21/00/50/132210050.db2.gz WIATXOSQMHGENP-UHFFFAOYSA-N 1 1 361.475 1.361 50 0 FDAAMO COc1cc(C[N@@H+]2CCN(c3ccc(C)nn3)C[C@@H]2CCO)cc(OC)c1 ZINC000106943778 132240859 /nfs/dbraw/zinc/24/08/59/132240859.db2.gz ZVSJOOUXPZJVDK-KRWDZBQOSA-N 1 1 372.469 1.875 50 0 FDAAMO COc1cc(C[N@H+]2CCN(c3ccc(C)nn3)C[C@@H]2CCO)cc(OC)c1 ZINC000106943778 132240860 /nfs/dbraw/zinc/24/08/60/132240860.db2.gz ZVSJOOUXPZJVDK-KRWDZBQOSA-N 1 1 372.469 1.875 50 0 FDAAMO CCc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)nc(N2CCCC2)n1 ZINC000107414138 132241467 /nfs/dbraw/zinc/24/14/67/132241467.db2.gz DHJPPHXGFSVICU-HXUWFJFHSA-N 1 1 372.517 1.430 50 0 FDAAMO Cc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(N)n1 ZINC000230190647 132288945 /nfs/dbraw/zinc/28/89/45/132288945.db2.gz ZHQLHISIJGARER-LJQANCHMSA-N 1 1 358.490 1.280 50 0 FDAAMO Cc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(N)n1 ZINC000230190647 132288948 /nfs/dbraw/zinc/28/89/48/132288948.db2.gz ZHQLHISIJGARER-LJQANCHMSA-N 1 1 358.490 1.280 50 0 FDAAMO CNc1nc(N2CCC(O)(c3cccnc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299756246 132297917 /nfs/dbraw/zinc/29/79/17/132297917.db2.gz FHINSFVOVBAVLY-AWEZNQCLSA-N 1 1 355.442 1.905 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000299766420 132298313 /nfs/dbraw/zinc/29/83/13/132298313.db2.gz IXBBZBMCXZZRDW-INIZCTEOSA-N 1 1 356.474 1.642 50 0 FDAAMO Cc1ccc(Nc2nc(N3CC[NH+](CCO)CC3)nc3nccnc32)cc1 ZINC000022735918 132906605 /nfs/dbraw/zinc/90/66/05/132906605.db2.gz RVKPUPHSBHIWRW-UHFFFAOYSA-N 1 1 365.441 1.586 50 0 FDAAMO O[C@@H]1CN(c2ncccn2)CC[C@H]1[NH+]1CCN(CCc2ccccc2)CC1 ZINC000071405784 136139144 /nfs/dbraw/zinc/13/91/44/136139144.db2.gz UYJSJRQPRYJZAP-WOJBJXKFSA-N 1 1 367.497 1.277 50 0 FDAAMO CC[N@@H+](C)[C@H]1CN(Cc2cc3ccccc3nc2N2CCOCC2)C[C@@H]1O ZINC000072421122 136146059 /nfs/dbraw/zinc/14/60/59/136146059.db2.gz DQLWYDXDHIJRJW-PMACEKPBSA-N 1 1 370.497 1.568 50 0 FDAAMO Nc1cc[nH+]c(N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000072428659 136146655 /nfs/dbraw/zinc/14/66/55/136146655.db2.gz ZQONHQSFTCZOIW-IBGZPJMESA-N 1 1 352.442 1.863 50 0 FDAAMO Nc1cc[nH+]c(N2CCC[C@@]3(CCC(=O)N(Cc4ccccn4)C3)C2)n1 ZINC000072428660 136146699 /nfs/dbraw/zinc/14/66/99/136146699.db2.gz ZQONHQSFTCZOIW-LJQANCHMSA-N 1 1 352.442 1.863 50 0 FDAAMO COc1ccc(CN2CCN(c3cc[nH+]c(N)n3)C[C@@H]2CCO)c(F)c1 ZINC000072454549 136148419 /nfs/dbraw/zinc/14/84/19/136148419.db2.gz SXXBRAOPEYAWOR-AWEZNQCLSA-N 1 1 361.421 1.280 50 0 FDAAMO O[C@H](COCc1ccccc1Cl)C[NH+]1CCN(c2ncccn2)CC1 ZINC000023387191 136152849 /nfs/dbraw/zinc/15/28/49/136152849.db2.gz RIJGLNHSKRHKMT-INIZCTEOSA-N 1 1 362.861 1.830 50 0 FDAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000175886023 174034360 /nfs/dbraw/zinc/03/43/60/174034360.db2.gz LSXJUCBFPBURRL-DLBZAZTESA-N 1 1 369.473 1.825 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)Nc3ccc4c(c3)OCO4)CC[N@H+]2C)CCC1=O ZINC000095379512 221883292 /nfs/dbraw/zinc/88/32/92/221883292.db2.gz MUPCHRYZGPIBDA-IBGZPJMESA-N 1 1 374.441 1.576 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000095381868 221885838 /nfs/dbraw/zinc/88/58/38/221885838.db2.gz MNYSMJHDLZQXOH-UHFFFAOYSA-N 1 1 353.470 1.852 50 0 FDAAMO O=C(Cn1cc2ccccc2n1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095504663 221931360 /nfs/dbraw/zinc/93/13/60/221931360.db2.gz WBSQWOFBUWSNQX-LJQANCHMSA-N 1 1 364.449 1.742 50 0 FDAAMO COc1ccc(NC(=O)NC2CC[NH+](CC(=O)NC3CC3)CC2)c(F)c1 ZINC000097475075 222182732 /nfs/dbraw/zinc/18/27/32/222182732.db2.gz NWZONIKUVFCVDU-UHFFFAOYSA-N 1 1 364.421 1.699 50 0 FDAAMO O[C@H]1COC[C@@H]1[N@H+]1CCCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000097528996 222189040 /nfs/dbraw/zinc/18/90/40/222189040.db2.gz OIJIWTFXHSFCEA-GJZGRUSLSA-N 1 1 354.834 1.336 50 0 FDAAMO CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)N1CC[NH+](C)CC1)CC2 ZINC000097655534 222202443 /nfs/dbraw/zinc/20/24/43/222202443.db2.gz OTZDSZWHOIXEON-GOSISDBHSA-N 1 1 370.497 1.834 50 0 FDAAMO COCC[N@H+]1CC[C@@H](C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1 ZINC000097742814 222208317 /nfs/dbraw/zinc/20/83/17/222208317.db2.gz KKPAKCQQXIWMLR-GOSISDBHSA-N 1 1 373.497 1.684 50 0 FDAAMO C[C@@H](O)C[N@H+](C[C@@H](O)COc1ccccc1Br)C[C@H](C)O ZINC000106220063 222385155 /nfs/dbraw/zinc/38/51/55/222385155.db2.gz UACNSABIGZXIHA-FRRDWIJNSA-N 1 1 362.264 1.252 50 0 FDAAMO Cc1ccc(CNC(=O)CCN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107403247 222394629 /nfs/dbraw/zinc/39/46/29/222394629.db2.gz YTPWSANBVYICSO-OAQYLSRUSA-N 1 1 372.513 1.288 50 0 FDAAMO Cc1ccc(CNC(=O)CC[N@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107403247 222394634 /nfs/dbraw/zinc/39/46/34/222394634.db2.gz YTPWSANBVYICSO-OAQYLSRUSA-N 1 1 372.513 1.288 50 0 FDAAMO Cc1ccc(CNC(=O)CC[N@@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107403247 222394638 /nfs/dbraw/zinc/39/46/38/222394638.db2.gz YTPWSANBVYICSO-OAQYLSRUSA-N 1 1 372.513 1.288 50 0 FDAAMO CN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329991207 259121452 /nfs/dbraw/zinc/12/14/52/259121452.db2.gz JSZNADXZQVLSCX-HNNXBMFYSA-N 1 1 358.442 1.890 50 0 FDAAMO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000408464730 262112308 /nfs/dbraw/zinc/11/23/08/262112308.db2.gz HBMUPFYSFMOEKT-UHFFFAOYSA-N 1 1 359.536 1.418 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000003182770 518259813 /nfs/dbraw/zinc/25/98/13/518259813.db2.gz UIQIAXLZRGSTKQ-UHFFFAOYSA-N 1 1 353.488 1.495 50 0 FDAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000004503964 518301114 /nfs/dbraw/zinc/30/11/14/518301114.db2.gz VLIXPVZDBZWYJY-XHSDSOJGSA-N 1 1 359.426 1.591 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O ZINC000004915847 518318551 /nfs/dbraw/zinc/31/85/51/518318551.db2.gz QOGWCZYHHKYMAW-AWEZNQCLSA-N 1 1 367.453 1.489 50 0 FDAAMO Cc1ccc(C)c(CN2[NH+]=C(C)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 ZINC000005147955 518332519 /nfs/dbraw/zinc/33/25/19/518332519.db2.gz YJZJVVVTORORKN-UHFFFAOYSA-N 1 1 366.425 1.447 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000007724432 518432534 /nfs/dbraw/zinc/43/25/34/518432534.db2.gz MHISZLOYYHNMML-LBPRGKRZSA-N 1 1 373.906 1.804 50 0 FDAAMO CCCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3CCOCC)n(C)c1=O ZINC000008725148 518485182 /nfs/dbraw/zinc/48/51/82/518485182.db2.gz HCAHUXIMXXOLCD-LBPRGKRZSA-N 1 1 362.434 1.100 50 0 FDAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000010904347 518546556 /nfs/dbraw/zinc/54/65/56/518546556.db2.gz JSLLOQPRJACXTK-INIZCTEOSA-N 1 1 359.426 1.438 50 0 FDAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(=O)n(C)c(=O)n2C)c1 ZINC000010904347 518546561 /nfs/dbraw/zinc/54/65/61/518546561.db2.gz JSLLOQPRJACXTK-INIZCTEOSA-N 1 1 359.426 1.438 50 0 FDAAMO COC(=O)CN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000011662930 518567078 /nfs/dbraw/zinc/56/70/78/518567078.db2.gz VUWJSSRBQIFIQQ-INIZCTEOSA-N 1 1 368.474 1.380 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCOc1cccnc1 ZINC000011820475 518573196 /nfs/dbraw/zinc/57/31/96/518573196.db2.gz VWCDXMPGGSNOIE-GOSISDBHSA-N 1 1 374.485 1.347 50 0 FDAAMO Cn1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)cn1 ZINC000011874496 518575904 /nfs/dbraw/zinc/57/59/04/518575904.db2.gz WYWOXAFNQAJLBK-IBGZPJMESA-N 1 1 360.433 1.545 50 0 FDAAMO Cn1cccc1[C@H](CNC(=O)C(=O)NCCc1ccccc1)[NH+]1CCCC1 ZINC000011898288 518577429 /nfs/dbraw/zinc/57/74/29/518577429.db2.gz XGIQKPNAJXCMTL-IBGZPJMESA-N 1 1 368.481 1.637 50 0 FDAAMO CN1CCC([N@@H+]2CCC[C@H](NC(=O)c3ccc4nccnc4c3)C2)CC1 ZINC000011998445 518581348 /nfs/dbraw/zinc/58/13/48/518581348.db2.gz KETWWEYVOXMYKZ-INIZCTEOSA-N 1 1 353.470 1.918 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H](NC(=O)c3ccc4nccnc4c3)C2)CC1 ZINC000011998445 518581356 /nfs/dbraw/zinc/58/13/56/518581356.db2.gz KETWWEYVOXMYKZ-INIZCTEOSA-N 1 1 353.470 1.918 50 0 FDAAMO CSCCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012299296 518601236 /nfs/dbraw/zinc/60/12/36/518601236.db2.gz BZOGWWCMRVCDTO-INIZCTEOSA-N 1 1 367.559 1.969 50 0 FDAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCOc1cccnc1 ZINC000012449460 518615016 /nfs/dbraw/zinc/61/50/16/518615016.db2.gz IMOKJOLPNJYPJY-INIZCTEOSA-N 1 1 362.474 1.203 50 0 FDAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCOc1cccnc1 ZINC000012449460 518615027 /nfs/dbraw/zinc/61/50/27/518615027.db2.gz IMOKJOLPNJYPJY-INIZCTEOSA-N 1 1 362.474 1.203 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012580298 518621756 /nfs/dbraw/zinc/62/17/56/518621756.db2.gz YVZSPIWRSFEAJP-AWEZNQCLSA-N 1 1 356.430 1.492 50 0 FDAAMO CN(C(=O)C1=NN(C)C(=O)CC1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012747310 518631773 /nfs/dbraw/zinc/63/17/73/518631773.db2.gz YSQAYTLRVTYRNE-HNNXBMFYSA-N 1 1 360.433 1.857 50 0 FDAAMO CN(C(=O)C1=NN(C)C(=O)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012747310 518631779 /nfs/dbraw/zinc/63/17/79/518631779.db2.gz YSQAYTLRVTYRNE-HNNXBMFYSA-N 1 1 360.433 1.857 50 0 FDAAMO CC[N@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 ZINC000012983758 518645983 /nfs/dbraw/zinc/64/59/83/518645983.db2.gz CUWMTZFVVPRDOE-SFHVURJKSA-N 1 1 371.412 1.927 50 0 FDAAMO CC[N@@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1cccc(F)c1 ZINC000012983758 518645984 /nfs/dbraw/zinc/64/59/84/518645984.db2.gz CUWMTZFVVPRDOE-SFHVURJKSA-N 1 1 371.412 1.927 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncnc4onc(C)c43)C2)CC1 ZINC000020945327 518860838 /nfs/dbraw/zinc/86/08/38/518860838.db2.gz AYKOVNNUIMPJNM-CQSZACIVSA-N 1 1 358.446 1.307 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNCC[NH+](C)C)c1 ZINC000025436093 519062887 /nfs/dbraw/zinc/06/28/87/519062887.db2.gz VWPNIULEYDNHJR-UHFFFAOYSA-N 1 1 370.519 1.115 50 0 FDAAMO O=C(CCNC(=O)c1ccccc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000031337284 519428902 /nfs/dbraw/zinc/42/89/02/519428902.db2.gz BCOHGQDXDWMNGB-UHFFFAOYSA-N 1 1 351.450 1.981 50 0 FDAAMO CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cn3ccccc3[nH+]2)c1 ZINC000031646465 519451170 /nfs/dbraw/zinc/45/11/70/519451170.db2.gz MFERDHSBXIUOJM-UHFFFAOYSA-N 1 1 360.439 1.575 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000034696344 519595535 /nfs/dbraw/zinc/59/55/35/519595535.db2.gz FVMZPGDAZUUXAM-CQSZACIVSA-N 1 1 367.396 1.156 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)Cn1nc2ccccn2c1=O)c1ccccc1Cl ZINC000040086972 519639676 /nfs/dbraw/zinc/63/96/76/519639676.db2.gz PUHJAEAAUIJCHB-OAHLLOKOSA-N 1 1 373.844 1.569 50 0 FDAAMO O=C(C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1)NCC1CC1 ZINC000040120637 519640604 /nfs/dbraw/zinc/64/06/04/519640604.db2.gz VNISOYPESFBNQC-UHFFFAOYSA-N 1 1 361.461 1.723 50 0 FDAAMO CCc1ccccc1N1C[C@H](C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000040160350 519641997 /nfs/dbraw/zinc/64/19/97/519641997.db2.gz FYCLKSRKKVTWTP-QGZVFWFLSA-N 1 1 359.470 1.440 50 0 FDAAMO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)c3c(C)noc3C)cc2C1 ZINC000082092111 519855631 /nfs/dbraw/zinc/85/56/31/519855631.db2.gz OWTZZFUMZDILIA-UHFFFAOYSA-N 1 1 367.475 1.582 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNS(=O)(=O)c3c(C)noc3C)cc2C1 ZINC000082092111 519855632 /nfs/dbraw/zinc/85/56/32/519855632.db2.gz OWTZZFUMZDILIA-UHFFFAOYSA-N 1 1 367.475 1.582 50 0 FDAAMO CCCCS(=O)(=O)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000082230395 520929195 /nfs/dbraw/zinc/92/91/95/520929195.db2.gz YBZBZWVADVMAIQ-UHFFFAOYSA-N 1 1 367.519 1.719 50 0 FDAAMO CCC[C@H]1C[N@@H+](CCC=C(C)C)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000091425789 521218549 /nfs/dbraw/zinc/21/85/49/521218549.db2.gz CGRNCZXIQYZPDI-GJZGRUSLSA-N 1 1 350.463 1.111 50 0 FDAAMO CCCc1nnc(N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)s1 ZINC000091364702 521559814 /nfs/dbraw/zinc/55/98/14/521559814.db2.gz FBCCKKJEGGGLCT-HUUCEWRRSA-N 1 1 353.536 1.173 50 0 FDAAMO CCCc1nnc(N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)s1 ZINC000091364702 521559823 /nfs/dbraw/zinc/55/98/23/521559823.db2.gz FBCCKKJEGGGLCT-HUUCEWRRSA-N 1 1 353.536 1.173 50 0 FDAAMO CCCc1nnc(N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)s1 ZINC000091364702 521559837 /nfs/dbraw/zinc/55/98/37/521559837.db2.gz FBCCKKJEGGGLCT-HUUCEWRRSA-N 1 1 353.536 1.173 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000020449180 521662412 /nfs/dbraw/zinc/66/24/12/521662412.db2.gz OKROZKFXIROHSM-KRWDZBQOSA-N 1 1 351.491 1.348 50 0 FDAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NC[C@@H]3CCCO3)c2C)C1 ZINC000069589641 521920261 /nfs/dbraw/zinc/92/02/61/521920261.db2.gz QYLRUOVWRTYOGU-INIZCTEOSA-N 1 1 369.469 1.863 50 0 FDAAMO O=c1[nH]cc(C[N@@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1 ZINC000071774944 522133517 /nfs/dbraw/zinc/13/35/17/522133517.db2.gz HXLJIPUXVLASPB-AWEZNQCLSA-N 1 1 369.343 1.526 50 0 FDAAMO O=c1[nH]cc(C[N@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)c(=O)[nH]1 ZINC000071774944 522133526 /nfs/dbraw/zinc/13/35/26/522133526.db2.gz HXLJIPUXVLASPB-AWEZNQCLSA-N 1 1 369.343 1.526 50 0 FDAAMO O=C(NCc1ccncc1)[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CCN1 ZINC000072121599 522152308 /nfs/dbraw/zinc/15/23/08/522152308.db2.gz DTFKYBWOXLELRJ-KRWDZBQOSA-N 1 1 366.425 1.155 50 0 FDAAMO O=C(NCc1ccncc1)[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CCN1 ZINC000072121599 522152319 /nfs/dbraw/zinc/15/23/19/522152319.db2.gz DTFKYBWOXLELRJ-KRWDZBQOSA-N 1 1 366.425 1.155 50 0 FDAAMO C[C@H](NC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1)C(N)=O ZINC000072138824 522164224 /nfs/dbraw/zinc/16/42/24/522164224.db2.gz YRWQLKSWFLNWJN-INIZCTEOSA-N 1 1 365.477 1.689 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccncc1 ZINC000072135355 522164367 /nfs/dbraw/zinc/16/43/67/522164367.db2.gz JKGYLLYGEXMYQN-SFHVURJKSA-N 1 1 370.453 1.802 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccncc1 ZINC000072135355 522164374 /nfs/dbraw/zinc/16/43/74/522164374.db2.gz JKGYLLYGEXMYQN-SFHVURJKSA-N 1 1 370.453 1.802 50 0 FDAAMO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH2+]C[C@H]3C(=O)NC3CC3)c12 ZINC000072147166 522172349 /nfs/dbraw/zinc/17/23/49/522172349.db2.gz WZFBVFFIIIJABV-HNNXBMFYSA-N 1 1 369.425 1.101 50 0 FDAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH2+]CC2 ZINC000072153959 522180077 /nfs/dbraw/zinc/18/00/77/522180077.db2.gz UFCGCIXZHWMUNR-AWEZNQCLSA-N 1 1 364.442 1.741 50 0 FDAAMO CCc1nc(C)c(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(C)nc2)o1 ZINC000072153571 522181416 /nfs/dbraw/zinc/18/14/16/522181416.db2.gz TVFOPVQWXRCOPY-CQSZACIVSA-N 1 1 357.414 1.302 50 0 FDAAMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000057920473 522185853 /nfs/dbraw/zinc/18/58/53/522185853.db2.gz FJMKJACZQZPBFX-MRXNPFEDSA-N 1 1 362.474 1.935 50 0 FDAAMO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCN2C(=O)Cc2ccc(F)cc2C)cn1 ZINC000072167668 522194775 /nfs/dbraw/zinc/19/47/75/522194775.db2.gz SEEDSUMQQAQXIR-GOSISDBHSA-N 1 1 370.428 1.819 50 0 FDAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@](O)(CNC(C)=O)CC1)CO2 ZINC000072168267 522195809 /nfs/dbraw/zinc/19/58/09/522195809.db2.gz YMMHOESMLKGUMW-FQEVSTJZSA-N 1 1 360.454 1.824 50 0 FDAAMO O[C@@H]1CCC[N@H+](CCCNc2nc(-c3cccnc3)nc3c2CNC3)C1 ZINC000072169861 522196242 /nfs/dbraw/zinc/19/62/42/522196242.db2.gz WMFYJIIMVVFQSB-OAHLLOKOSA-N 1 1 354.458 1.401 50 0 FDAAMO O[C@@H]1CCC[N@@H+](CCCNc2nc(-c3cccnc3)nc3c2CNC3)C1 ZINC000072169861 522196249 /nfs/dbraw/zinc/19/62/49/522196249.db2.gz WMFYJIIMVVFQSB-OAHLLOKOSA-N 1 1 354.458 1.401 50 0 FDAAMO CCOC(=O)C1=C(C[NH2+]CCOc2ccccc2OC)NC(=O)N[C@@H]1C ZINC000058121300 522209458 /nfs/dbraw/zinc/20/94/58/522209458.db2.gz OVWRKVLIFXMJMP-GFCCVEGCSA-N 1 1 363.414 1.182 50 0 FDAAMO Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058202541 522223143 /nfs/dbraw/zinc/22/31/43/522223143.db2.gz PDSZLMKAIOWWSN-CYBMUJFWSA-N 1 1 353.426 1.036 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCO2)N1C[C@H](O)[C@@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000072407686 522237036 /nfs/dbraw/zinc/23/70/36/522237036.db2.gz OWWMKFMQQOPMCQ-KBPBESRZSA-N 1 1 368.380 1.261 50 0 FDAAMO C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCS(=O)(=O)N(C)C ZINC000072410900 522242821 /nfs/dbraw/zinc/24/28/21/522242821.db2.gz ATWZARMOQHJIRW-ZDUSSCGKSA-N 1 1 365.455 1.849 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]2CCO)cc1 ZINC000072411715 522246088 /nfs/dbraw/zinc/24/60/88/522246088.db2.gz NEMGODPGCSQZKJ-SFHVURJKSA-N 1 1 355.438 1.392 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(C(=O)c3ccc(=O)[nH]c3)C[C@@H]2CCO)cc1 ZINC000072411715 522246096 /nfs/dbraw/zinc/24/60/96/522246096.db2.gz NEMGODPGCSQZKJ-SFHVURJKSA-N 1 1 355.438 1.392 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072426183 522258553 /nfs/dbraw/zinc/25/85/53/522258553.db2.gz RJSDQDGEGZXYBD-INIZCTEOSA-N 1 1 373.505 1.069 50 0 FDAAMO CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072438490 522276747 /nfs/dbraw/zinc/27/67/47/522276747.db2.gz DRBQZKYAZGTQEZ-SFHVURJKSA-N 1 1 350.426 1.500 50 0 FDAAMO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072467863 522290986 /nfs/dbraw/zinc/29/09/86/522290986.db2.gz AOPBYDDHQDUKAB-QGZVFWFLSA-N 1 1 356.474 1.422 50 0 FDAAMO CN(C)Cc1nnc([C@@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)n1C ZINC000072473613 522293308 /nfs/dbraw/zinc/29/33/08/522293308.db2.gz QBBNRSUZUDJOHU-MRXNPFEDSA-N 1 1 364.538 1.167 50 0 FDAAMO O=C(c1ccn2nnnc2c1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072475422 522297733 /nfs/dbraw/zinc/29/77/33/522297733.db2.gz VEMGCSLEXPRPJF-UHFFFAOYSA-N 1 1 362.437 1.787 50 0 FDAAMO CSCCC[N@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072479793 522305209 /nfs/dbraw/zinc/30/52/09/522305209.db2.gz GXDJRUYIYLFTFZ-HNNXBMFYSA-N 1 1 367.563 1.704 50 0 FDAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000075325205 522904665 /nfs/dbraw/zinc/90/46/65/522904665.db2.gz DPCKTDXRHHJJMQ-ZWKOTPCHSA-N 1 1 364.511 1.792 50 0 FDAAMO CC(=O)N[C@@H]1CN(C(=O)CN2CCC[N@H+](C)CC2)C[C@H]1c1ccc(C)cc1 ZINC000077338774 523302518 /nfs/dbraw/zinc/30/25/18/523302518.db2.gz VXDFGRPIFQQFGD-VQTJNVASSA-N 1 1 372.513 1.063 50 0 FDAAMO CC[C@H](C)C(=O)N1CCC2(CN(CC[N@@H+](C)CCOC)C(=O)O2)CC1 ZINC000077424568 523331872 /nfs/dbraw/zinc/33/18/72/523331872.db2.gz NDWWDNZDFDTUKN-HNNXBMFYSA-N 1 1 355.479 1.424 50 0 FDAAMO CN1C(=O)[C@@H](CC(=O)N2CCC([N@@H+](C)Cc3ccccc3)CC2)N(C)C1=O ZINC000091440675 523341711 /nfs/dbraw/zinc/34/17/11/523341711.db2.gz FBQYYGLMMKLWCM-QGZVFWFLSA-N 1 1 372.469 1.392 50 0 FDAAMO COc1cccc(CN2CCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2=O)c1 ZINC000077535836 523375808 /nfs/dbraw/zinc/37/58/08/523375808.db2.gz HRUZJDGYJQIPQE-GOSISDBHSA-N 1 1 359.470 1.740 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2C)C[C@@H]1CO ZINC000091676766 523619495 /nfs/dbraw/zinc/61/94/95/523619495.db2.gz OLHKRWDRZYGLRD-HUUCEWRRSA-N 1 1 354.878 1.907 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979052 523725811 /nfs/dbraw/zinc/72/58/11/523725811.db2.gz QKJTVAICJYSOAM-QGZVFWFLSA-N 1 1 373.409 1.682 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c(F)c1 ZINC000091586904 524042741 /nfs/dbraw/zinc/04/27/41/524042741.db2.gz UTCFCMRZQUZNJZ-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)c(F)c1 ZINC000091586904 524042744 /nfs/dbraw/zinc/04/27/44/524042744.db2.gz UTCFCMRZQUZNJZ-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)c(F)c1 ZINC000091586904 524042748 /nfs/dbraw/zinc/04/27/48/524042748.db2.gz UTCFCMRZQUZNJZ-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO NC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082133769 524214781 /nfs/dbraw/zinc/21/47/81/524214781.db2.gz YEUOPAVSCJTZMQ-HXUWFJFHSA-N 1 1 359.470 1.373 50 0 FDAAMO C[C@H](CNC(=O)N1CCN(c2ncccc2F)CC1)C[NH+]1CCOCC1 ZINC000090588151 524606305 /nfs/dbraw/zinc/60/63/05/524606305.db2.gz WYSVLAWSNRKQFY-OAHLLOKOSA-N 1 1 365.453 1.021 50 0 FDAAMO Cc1ccc(-c2noc(CN3CC[N@H+](C)[C@]4(C3)CCNC(=O)CC4)n2)cc1 ZINC000091289054 524690214 /nfs/dbraw/zinc/69/02/14/524690214.db2.gz DMXHEMFVZQTSEJ-FQEVSTJZSA-N 1 1 369.469 1.831 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC(=O)OC13CCCC3)CC2 ZINC000091424891 524700898 /nfs/dbraw/zinc/70/08/98/524700898.db2.gz FLGGAFKQFBSDDI-CQSZACIVSA-N 1 1 372.469 1.591 50 0 FDAAMO CCc1cc(=O)[nH]c(-c2ccc(N3CC[N@@H+](CCOC)[C@H](CC)C3)nc2)n1 ZINC000174737238 524714761 /nfs/dbraw/zinc/71/47/61/524714761.db2.gz WBVHYFMBSSEOMI-QGZVFWFLSA-N 1 1 371.485 1.941 50 0 FDAAMO CN(C)c1ccc(NC(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091505464 524720193 /nfs/dbraw/zinc/72/01/93/524720193.db2.gz YNNUIRQPXAPMBW-HXUWFJFHSA-N 1 1 373.501 1.913 50 0 FDAAMO CNC(=O)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)o1 ZINC000091547668 524722918 /nfs/dbraw/zinc/72/29/18/524722918.db2.gz LVWLGKIRHNIXMV-GOEBONIOSA-N 1 1 368.437 1.657 50 0 FDAAMO CNC(=O)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)o1 ZINC000091547668 524722925 /nfs/dbraw/zinc/72/29/25/524722925.db2.gz LVWLGKIRHNIXMV-GOEBONIOSA-N 1 1 368.437 1.657 50 0 FDAAMO CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1 ZINC000091574588 524728957 /nfs/dbraw/zinc/72/89/57/524728957.db2.gz DROCLAGELIKSKF-IBGZPJMESA-N 1 1 358.442 1.707 50 0 FDAAMO Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)n1 ZINC000091678520 524759565 /nfs/dbraw/zinc/75/95/65/524759565.db2.gz DSFTXXBETKEPIN-MJGOQNOKSA-N 1 1 360.502 1.693 50 0 FDAAMO Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)n1 ZINC000091678520 524759575 /nfs/dbraw/zinc/75/95/75/524759575.db2.gz DSFTXXBETKEPIN-MJGOQNOKSA-N 1 1 360.502 1.693 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2CO)CC1 ZINC000091736710 524769327 /nfs/dbraw/zinc/76/93/27/524769327.db2.gz UETPHSQQAISTRC-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2CO)CC1 ZINC000091736710 524769340 /nfs/dbraw/zinc/76/93/40/524769340.db2.gz UETPHSQQAISTRC-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3ccccc3F)C[C@@H]2CO)CC1 ZINC000091736710 524769347 /nfs/dbraw/zinc/76/93/47/524769347.db2.gz UETPHSQQAISTRC-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000241383527 524779518 /nfs/dbraw/zinc/77/95/18/524779518.db2.gz MWAMATVTOQNEPE-IHRRRGAJSA-N 1 1 354.472 1.380 50 0 FDAAMO Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cnn(C)c1)C2 ZINC000091781366 524783618 /nfs/dbraw/zinc/78/36/18/524783618.db2.gz KXRVYEGEBVZLQM-DLBZAZTESA-N 1 1 356.474 1.507 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cnn(C)c1)C2 ZINC000091781366 524783630 /nfs/dbraw/zinc/78/36/30/524783630.db2.gz KXRVYEGEBVZLQM-DLBZAZTESA-N 1 1 356.474 1.507 50 0 FDAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)s1 ZINC000091808069 524789037 /nfs/dbraw/zinc/78/90/37/524789037.db2.gz DGISMWDORHOAJG-HZPDHXFCSA-N 1 1 365.543 1.629 50 0 FDAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)s1 ZINC000091808069 524789047 /nfs/dbraw/zinc/78/90/47/524789047.db2.gz DGISMWDORHOAJG-HZPDHXFCSA-N 1 1 365.543 1.629 50 0 FDAAMO CCc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)s1 ZINC000091808069 524789058 /nfs/dbraw/zinc/78/90/58/524789058.db2.gz DGISMWDORHOAJG-HZPDHXFCSA-N 1 1 365.543 1.629 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000091819082 524792281 /nfs/dbraw/zinc/79/22/81/524792281.db2.gz YPXDMVGWJSEIGK-CQSZACIVSA-N 1 1 351.834 1.140 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000091819082 524792295 /nfs/dbraw/zinc/79/22/95/524792295.db2.gz YPXDMVGWJSEIGK-CQSZACIVSA-N 1 1 351.834 1.140 50 0 FDAAMO COCCN(C)CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091829912 524793289 /nfs/dbraw/zinc/79/32/89/524793289.db2.gz DUBXHYWXPYYBDN-PKOBYXMFSA-N 1 1 363.477 1.827 50 0 FDAAMO COc1cc(C)ccc1C(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCN(C)C)C1 ZINC000091858623 524799986 /nfs/dbraw/zinc/79/99/86/524799986.db2.gz BGRHEHXINNLROQ-IAGOWNOFSA-N 1 1 363.502 1.178 50 0 FDAAMO COc1cc(C)ccc1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091858623 524799999 /nfs/dbraw/zinc/79/99/99/524799999.db2.gz BGRHEHXINNLROQ-IAGOWNOFSA-N 1 1 363.502 1.178 50 0 FDAAMO Cc1cccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)n1 ZINC000091892734 524805177 /nfs/dbraw/zinc/80/51/77/524805177.db2.gz SNYSYLFBZHCGAC-KRWDZBQOSA-N 1 1 370.497 1.939 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc(C)[nH]c1=O)C2 ZINC000091877100 524806784 /nfs/dbraw/zinc/80/67/84/524806784.db2.gz MJBMZRZIUWSYSB-LSDHHAIUSA-N 1 1 371.441 1.420 50 0 FDAAMO Cc1cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)nc(-c2ccccc2)n1 ZINC000091932372 524814008 /nfs/dbraw/zinc/81/40/08/524814008.db2.gz AYPXYOVOCWRSKN-QZTJIDSGSA-N 1 1 356.470 1.421 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091943881 524816222 /nfs/dbraw/zinc/81/62/22/524816222.db2.gz JRHSZAVMYAGNCJ-WMLDXEAASA-N 1 1 363.425 1.256 50 0 FDAAMO O=C(c1ccc2nnnn2c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091943881 524816230 /nfs/dbraw/zinc/81/62/30/524816230.db2.gz JRHSZAVMYAGNCJ-WMLDXEAASA-N 1 1 363.425 1.256 50 0 FDAAMO COc1ccc(F)c(F)c1CN1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092038086 524832358 /nfs/dbraw/zinc/83/23/58/524832358.db2.gz KOHFOJYXXIXASJ-ZIAGYGMSSA-N 1 1 356.413 1.346 50 0 FDAAMO COc1ccc(F)c(F)c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000092038086 524832370 /nfs/dbraw/zinc/83/23/70/524832370.db2.gz KOHFOJYXXIXASJ-ZIAGYGMSSA-N 1 1 356.413 1.346 50 0 FDAAMO COc1ccc(F)c(F)c1C[N@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000092038086 524832379 /nfs/dbraw/zinc/83/23/79/524832379.db2.gz KOHFOJYXXIXASJ-ZIAGYGMSSA-N 1 1 356.413 1.346 50 0 FDAAMO O=C(Cc1ccccc1Cl)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000092062345 524836011 /nfs/dbraw/zinc/83/60/11/524836011.db2.gz BLIINAAMXPLTQH-CVEARBPZSA-N 1 1 366.889 1.672 50 0 FDAAMO Cc1nnnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000092065157 524838750 /nfs/dbraw/zinc/83/87/50/524838750.db2.gz HZIVJELMSAUONS-RBUKOAKNSA-N 1 1 368.485 1.537 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cncn1)CC2 ZINC000092107762 524850070 /nfs/dbraw/zinc/85/00/70/524850070.db2.gz DWYGGGGTIIKIRS-HNNXBMFYSA-N 1 1 371.489 1.738 50 0 FDAAMO O=C([C@@H]1CC(=O)N(Cc2ccncc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000095364439 525040389 /nfs/dbraw/zinc/04/03/89/525040389.db2.gz XFQFVBCWJQQJOD-GOSISDBHSA-N 1 1 370.497 1.907 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)c3n[nH]c4ccccc43)CC[N@H+]2C)CCC1=O ZINC000095370611 525044469 /nfs/dbraw/zinc/04/44/69/525044469.db2.gz UUENHJNIBLAHHW-HXUWFJFHSA-N 1 1 369.469 1.722 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1C ZINC000095370188 525044590 /nfs/dbraw/zinc/04/45/90/525044590.db2.gz XHPSUGPNPDMALO-CQSZACIVSA-N 1 1 366.429 1.178 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](C/C=C/c3ccc(OC)cc3)C[C@@H]2C1 ZINC000095375300 525049624 /nfs/dbraw/zinc/04/96/24/525049624.db2.gz XHHOOKVKZHOSEJ-MXHCUOCRSA-N 1 1 374.481 1.640 50 0 FDAAMO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095376185 525050518 /nfs/dbraw/zinc/05/05/18/525050518.db2.gz MJYXQYRVVRGYTC-SFHVURJKSA-N 1 1 363.421 1.771 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(C(C)=O)s2)C[C@@H]1CO ZINC000095376284 525050813 /nfs/dbraw/zinc/05/08/13/525050813.db2.gz PDJZTCOWAUQETN-ZIAGYGMSSA-N 1 1 354.472 1.209 50 0 FDAAMO O=C(NCCNC(=O)[C@@H](c1cccnc1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000095379005 525053283 /nfs/dbraw/zinc/05/32/83/525053283.db2.gz ORTFKSIMNRPKJN-GOSISDBHSA-N 1 1 370.428 1.904 50 0 FDAAMO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095379638 525053885 /nfs/dbraw/zinc/05/38/85/525053885.db2.gz XIYOWSFCKQROCH-CQSZACIVSA-N 1 1 370.453 1.430 50 0 FDAAMO CCN1CC[C@@]2(CN(Cc3cncn3CCOC)CC[N@H+]2C)CCC1=O ZINC000095387370 525059393 /nfs/dbraw/zinc/05/93/93/525059393.db2.gz GDRPRQQTKGEKKA-LJQANCHMSA-N 1 1 363.506 1.048 50 0 FDAAMO COc1ccccc1CNC(=O)C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 ZINC000095391048 525063050 /nfs/dbraw/zinc/06/30/50/525063050.db2.gz XUUULZAXCOEVOC-NVXWUHKLSA-N 1 1 374.485 1.389 50 0 FDAAMO COc1ccccc1CNC(=O)C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 ZINC000095391048 525063062 /nfs/dbraw/zinc/06/30/62/525063062.db2.gz XUUULZAXCOEVOC-NVXWUHKLSA-N 1 1 374.485 1.389 50 0 FDAAMO O=C(CCCNc1ncccn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095480874 525078468 /nfs/dbraw/zinc/07/84/68/525078468.db2.gz RRFZQIYULMEUIR-UHFFFAOYSA-N 1 1 354.458 1.451 50 0 FDAAMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000095501230 525082910 /nfs/dbraw/zinc/08/29/10/525082910.db2.gz ITFCCHPUOVHHBI-GOSISDBHSA-N 1 1 362.433 1.938 50 0 FDAAMO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2C[N@H+]1C ZINC000095501230 525082921 /nfs/dbraw/zinc/08/29/21/525082921.db2.gz ITFCCHPUOVHHBI-GOSISDBHSA-N 1 1 362.433 1.938 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000095522357 525098837 /nfs/dbraw/zinc/09/88/37/525098837.db2.gz RKVPLCXTBQTDHM-CQSZACIVSA-N 1 1 356.463 1.836 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1cccn1)CC2 ZINC000095527499 525103139 /nfs/dbraw/zinc/10/31/39/525103139.db2.gz SVUKLLXTEKVPIK-UHFFFAOYSA-N 1 1 356.474 1.782 50 0 FDAAMO CCc1[nH]c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C)c1C(=O)OC ZINC000095976276 525112450 /nfs/dbraw/zinc/11/24/50/525112450.db2.gz CHNBIRLQESQUPH-UHFFFAOYSA-N 1 1 365.474 1.591 50 0 FDAAMO COC(=O)CC[N@@H+]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1C ZINC000095983931 525114788 /nfs/dbraw/zinc/11/47/88/525114788.db2.gz ANVXQCBZJOJNSJ-ZDUSSCGKSA-N 1 1 362.405 1.945 50 0 FDAAMO COC(=O)CC[N@H+]1CCN(Cc2nnc(-c3cccc(F)c3)o2)C[C@@H]1C ZINC000095983931 525114791 /nfs/dbraw/zinc/11/47/91/525114791.db2.gz ANVXQCBZJOJNSJ-ZDUSSCGKSA-N 1 1 362.405 1.945 50 0 FDAAMO Cn1cc[nH+]c1CC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000162724097 525306275 /nfs/dbraw/zinc/30/62/75/525306275.db2.gz MPTBXILJPACXAD-UHFFFAOYSA-N 1 1 351.410 1.752 50 0 FDAAMO Cc1cccc(N2CC[NH+](CCN3C(=O)[C@@H]4CCCN4C3=O)CC2)c1C ZINC000170592551 525636499 /nfs/dbraw/zinc/63/64/99/525636499.db2.gz ZUQWEUHJYGXADH-SFHVURJKSA-N 1 1 356.470 1.852 50 0 FDAAMO Cc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)c1 ZINC000091645548 525670838 /nfs/dbraw/zinc/67/08/38/525670838.db2.gz DIJCGRZRLHRMEV-INIZCTEOSA-N 1 1 356.470 1.830 50 0 FDAAMO Cc1c(O)ccc2c(C)c(CC(=O)NCCC[NH+]3CCOCC3)c(=O)oc12 ZINC000020533609 525878076 /nfs/dbraw/zinc/87/80/76/525878076.db2.gz LJHOULKEORVKRY-UHFFFAOYSA-N 1 1 374.437 1.496 50 0 FDAAMO CCc1oc(C(=O)OC)cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000108381485 525964042 /nfs/dbraw/zinc/96/40/42/525964042.db2.gz LJEMFLSJIDXVJB-CHWSQXEVSA-N 1 1 370.471 1.876 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3cnccn3)CC2)n1C ZINC000091254375 527450562 /nfs/dbraw/zinc/45/05/62/527450562.db2.gz QGRDLMWPPKQQCG-UHFFFAOYSA-N 1 1 366.429 1.178 50 0 FDAAMO Cc1nn(C(=O)CCCC(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000020464384 527574232 /nfs/dbraw/zinc/57/42/32/527574232.db2.gz IKYDUWATVJOLMY-UHFFFAOYSA-N 1 1 372.469 1.994 50 0 FDAAMO CCn1ncnc1C[N@@H+]1CCc2ncnc(N3CCSCC3)c2CC1 ZINC000072418585 535894696 /nfs/dbraw/zinc/89/46/96/535894696.db2.gz BKKURKBPFOYCKG-UHFFFAOYSA-N 1 1 359.503 1.242 50 0 FDAAMO CCn1ncnc1C[N@H+]1CCc2ncnc(N3CCSCC3)c2CC1 ZINC000072418585 535894697 /nfs/dbraw/zinc/89/46/97/535894697.db2.gz BKKURKBPFOYCKG-UHFFFAOYSA-N 1 1 359.503 1.242 50 0 FDAAMO CN(C)c1cc[nH+]c(N2CCn3nc(CNc4cnccn4)cc3C2)n1 ZINC000299759630 536155164 /nfs/dbraw/zinc/15/51/64/536155164.db2.gz PQXSMYBDXIMUSP-UHFFFAOYSA-N 1 1 351.418 1.161 50 0 FDAAMO COc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071415547 536823989 /nfs/dbraw/zinc/82/39/89/536823989.db2.gz GCZLNJPBVSUBJD-AWEZNQCLSA-N 1 1 359.474 1.445 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3c[nH]cn3)C2)CC1 ZINC000059311896 537071276 /nfs/dbraw/zinc/07/12/76/537071276.db2.gz WNLUBPYUJDWKPS-INIZCTEOSA-N 1 1 369.469 1.845 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000252452549 537249996 /nfs/dbraw/zinc/24/99/96/537249996.db2.gz OJFZSMAPWUWKCC-JXFKEZNVSA-N 1 1 370.453 1.890 50 0 FDAAMO CC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)C1=O ZINC000252452549 537249998 /nfs/dbraw/zinc/24/99/98/537249998.db2.gz OJFZSMAPWUWKCC-JXFKEZNVSA-N 1 1 370.453 1.890 50 0 FDAAMO O=C(C[C@@H]1C[NH2+]CCO1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1 ZINC000215801631 537440989 /nfs/dbraw/zinc/44/09/89/537440989.db2.gz QOWWAGCCILPWQX-CQSZACIVSA-N 1 1 360.845 1.993 50 0 FDAAMO CC(C)c1[nH+]ccn1CCCNC(=O)Cn1cnc2ccsc2c1=O ZINC000223491685 537526840 /nfs/dbraw/zinc/52/68/40/537526840.db2.gz YGZNBLZEKKYGGV-UHFFFAOYSA-N 1 1 359.455 1.984 50 0 FDAAMO Cc1ccn(CCN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230209406 537579021 /nfs/dbraw/zinc/57/90/21/537579021.db2.gz XUACJWMXJXNJPP-HXUWFJFHSA-N 1 1 359.518 1.600 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)C(C)(C)NC(=O)c1cccs1 ZINC000244852994 537654002 /nfs/dbraw/zinc/65/40/02/537654002.db2.gz VDFYJHMSQPFLSY-STQMWFEESA-N 1 1 353.488 1.480 50 0 FDAAMO C[N@H+](CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)Cc1ccccc1 ZINC000426677773 538122682 /nfs/dbraw/zinc/12/26/82/538122682.db2.gz BIMMYIYYZGRPMF-QZTJIDSGSA-N 1 1 374.510 1.327 50 0 FDAAMO C[N@@H+](CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1O)Cc1ccccc1 ZINC000426677773 538122686 /nfs/dbraw/zinc/12/26/86/538122686.db2.gz BIMMYIYYZGRPMF-QZTJIDSGSA-N 1 1 374.510 1.327 50 0 FDAAMO COc1ccc(-c2cccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)c2)cn1 ZINC000426563268 538424773 /nfs/dbraw/zinc/42/47/73/538424773.db2.gz YMQLSDVFFGBJFC-UHFFFAOYSA-N 1 1 368.437 1.437 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)C1 ZINC000575616962 550466991 /nfs/dbraw/zinc/46/69/91/550466991.db2.gz OUJITAPHVNBPLA-GFCCVEGCSA-N 1 1 371.407 1.922 50 0 FDAAMO COc1ncnc(C)c1-c1cccc(C(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000584892405 551566039 /nfs/dbraw/zinc/56/60/39/551566039.db2.gz VZIHQRRNYNQPON-UHFFFAOYSA-N 1 1 370.453 1.601 50 0 FDAAMO C[NH+]1CCN(CC2CN(C(=O)c3ccc4c(c3)[nH]c(=O)n4C3CC3)C2)CC1 ZINC000615278248 555186652 /nfs/dbraw/zinc/18/66/52/555186652.db2.gz BDEMAPQPTANJGF-UHFFFAOYSA-N 1 1 369.469 1.396 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000625762311 556921038 /nfs/dbraw/zinc/92/10/38/556921038.db2.gz SNLKAEHAFNTIDD-MRXNPFEDSA-N 1 1 368.499 1.348 50 0 FDAAMO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2c(C)ccn(C)c2=O)C1 ZINC000626431286 557080597 /nfs/dbraw/zinc/08/05/97/557080597.db2.gz MVMTXAVOJQZOAE-OWCLPIDISA-N 1 1 362.474 1.799 50 0 FDAAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnn(CC(F)(F)F)c2)CC1 ZINC000252550554 570623733 /nfs/dbraw/zinc/62/37/33/570623733.db2.gz SSGIZHCAWRXNRO-ZDUSSCGKSA-N 1 1 361.412 1.449 50 0 FDAAMO C/C=C\Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCC(C)C)n(C)c1=O ZINC000103413933 570849160 /nfs/dbraw/zinc/84/91/60/570849160.db2.gz ATAWAGNHDJJLOE-SREVYHEPSA-N 1 1 358.446 1.715 50 0 FDAAMO Cc1cn(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c(=O)[nH]c1=O ZINC000670470445 571042832 /nfs/dbraw/zinc/04/28/32/571042832.db2.gz YPJBDXOLYCCQGC-HNNXBMFYSA-N 1 1 374.416 1.177 50 0 FDAAMO Cc1cn(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(=O)[nH]c1=O ZINC000670470445 571042836 /nfs/dbraw/zinc/04/28/36/571042836.db2.gz YPJBDXOLYCCQGC-HNNXBMFYSA-N 1 1 374.416 1.177 50 0 FDAAMO Cc1ccc2nc(C[N@@H+](CCC(N)=O)CCc3ccccc3)cc(=O)n2c1 ZINC000243900870 571112729 /nfs/dbraw/zinc/11/27/29/571112729.db2.gz AWOSFSHXVOPSNY-UHFFFAOYSA-N 1 1 364.449 1.923 50 0 FDAAMO CC(=O)N1CC[C@]2(O)CC[N@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC000243957151 571113163 /nfs/dbraw/zinc/11/31/63/571113163.db2.gz CGQNYQBIYLGLSM-YLJYHZDGSA-N 1 1 359.470 1.547 50 0 FDAAMO CC(=O)N1CC[C@]2(O)CC[N@@H+](CC(=O)Nc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC000243957151 571113166 /nfs/dbraw/zinc/11/31/66/571113166.db2.gz CGQNYQBIYLGLSM-YLJYHZDGSA-N 1 1 359.470 1.547 50 0 FDAAMO CN(Cc1[nH]nc2c1CCCC2)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426502802 571128869 /nfs/dbraw/zinc/12/88/69/571128869.db2.gz AJHIGFYGNPWCOZ-CYBMUJFWSA-N 1 1 372.473 1.623 50 0 FDAAMO Cc1c(NC(=O)CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)cnn1C ZINC000252488272 571132702 /nfs/dbraw/zinc/13/27/02/571132702.db2.gz IOLVBXFHIXBHCE-UHFFFAOYSA-N 1 1 367.497 1.842 50 0 FDAAMO Nc1ncc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc2)cn1 ZINC000426495573 571137868 /nfs/dbraw/zinc/13/78/68/571137868.db2.gz FDRZONLBBGFPLN-QGZVFWFLSA-N 1 1 355.442 1.302 50 0 FDAAMO O=C(NC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1)c1cccnn1 ZINC000529522528 571149268 /nfs/dbraw/zinc/14/92/68/571149268.db2.gz GDRXUOZHTMSGSX-UHFFFAOYSA-N 1 1 355.417 1.700 50 0 FDAAMO Nc1cnc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)c2)cn1 ZINC000426440427 571225425 /nfs/dbraw/zinc/22/54/25/571225425.db2.gz XSDMVYVSYJTONJ-MRXNPFEDSA-N 1 1 355.442 1.302 50 0 FDAAMO O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)N1CCC(Cc2cccnc2)CC1 ZINC000426473560 571227255 /nfs/dbraw/zinc/22/72/55/571227255.db2.gz LDEZAWCGPOYQGN-LJQANCHMSA-N 1 1 360.502 1.750 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(C)COC(C)(C)OC2)CC1 ZINC000253416999 571312539 /nfs/dbraw/zinc/31/25/39/571312539.db2.gz UCTLFZICDUQYMG-INIZCTEOSA-N 1 1 353.507 1.404 50 0 FDAAMO CCOC[C@H](C)CS(=O)(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000253427870 571313176 /nfs/dbraw/zinc/31/31/76/571313176.db2.gz HCVZKYLWCMPNDO-DLBZAZTESA-N 1 1 363.568 1.337 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)C1CCOCC1 ZINC000670448759 571351671 /nfs/dbraw/zinc/35/16/71/571351671.db2.gz XORNRANGEALGKA-BIXGBWIQSA-N 1 1 355.482 1.097 50 0 FDAAMO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000253412545 672599060 /nfs/dbraw/zinc/59/90/60/672599060.db2.gz RHWCLWZIDYSFAU-ZBFHGGJFSA-N 1 1 355.841 1.364 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000257181482 672630307 /nfs/dbraw/zinc/63/03/07/672630307.db2.gz FQEMWIDBDQMAHO-SJORKVTESA-N 1 1 351.491 1.129 50 0 FDAAMO CCc1cc(N2CCC([NH2+]Cc3nc(N)n[nH]3)CC2)nc(N2CCCC2)n1 ZINC000095527721 784390754 /nfs/dbraw/zinc/39/07/54/784390754.db2.gz IANPMBNZENNYJA-UHFFFAOYSA-N 1 1 371.493 1.098 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO)c1[nH]nc2ccccc21 ZINC000257186495 793962094 /nfs/dbraw/zinc/96/20/94/793962094.db2.gz KMKQYIGTQKMXBI-MAUKXSAKSA-N 1 1 350.422 1.786 50 0 FDAAMO COc1cc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)ccc1F ZINC000257194866 794055339 /nfs/dbraw/zinc/05/53/39/794055339.db2.gz UVEYCZKSUWNOCD-DOTOQJQBSA-N 1 1 359.401 1.452 50 0 FDAAMO COc1cc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3ccncc3)C2)ccc1F ZINC000257194866 794055345 /nfs/dbraw/zinc/05/53/45/794055345.db2.gz UVEYCZKSUWNOCD-DOTOQJQBSA-N 1 1 359.401 1.452 50 0 FDAAMO COCC(=O)N1CC[N@@H+](CCOc2ccccc2)CC[C@@H]1c1nnc(C)[nH]1 ZINC000675013506 795218698 /nfs/dbraw/zinc/21/86/98/795218698.db2.gz MPVIDUQKZASOTQ-QGZVFWFLSA-N 1 1 373.457 1.414 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)CCC(=O)NCC1)N1CCOCC1 ZINC000257178792 864405841 /nfs/dbraw/zinc/40/58/41/864405841.db2.gz HCODUQGLVCKPTF-GOSISDBHSA-N 1 1 374.485 1.049 50 0 FDAAMO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(CCCN4CCCC4=O)C(=O)[C@@H]3C2)cc1 ZINC000169760680 864490702 /nfs/dbraw/zinc/49/07/02/864490702.db2.gz SCHCPOZHWJCDFI-HDICACEKSA-N 1 1 369.465 1.424 50 0 FDAAMO CCn1ncc(N2CCC[C@H](CC(=O)N3CCC[N@@H+](C)CC3)C2)cc1=O ZINC000169765422 864497583 /nfs/dbraw/zinc/49/75/83/864497583.db2.gz GMZAFNRYTKRECI-MRXNPFEDSA-N 1 1 361.490 1.034 50 0 FDAAMO COCC[N@H+]1C[C@H](CO)C2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000169789492 864521437 /nfs/dbraw/zinc/52/14/37/864521437.db2.gz QVIAGYHTFZCELB-QGZVFWFLSA-N 1 1 364.461 1.548 50 0 FDAAMO CNC(=O)[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2OC)C[C@H]1COC ZINC000257192930 864722397 /nfs/dbraw/zinc/72/23/97/864722397.db2.gz WIFMHMJJPHYABJ-GOEBONIOSA-N 1 1 358.442 1.526 50 0 FDAAMO CCC[C@@H](C)N1CCN(C(=O)c2nn(CC3CC3)c3c2C[NH2+]CC3)CC1 ZINC000257194121 864752130 /nfs/dbraw/zinc/75/21/30/864752130.db2.gz SOYPQPXINVIOSM-OAHLLOKOSA-N 1 1 359.518 1.885 50 0 FDAAMO Cc1cc(N)n(CC(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000012459341 882124285 /nfs/dbraw/zinc/12/42/85/882124285.db2.gz RJKLHFRMJLBKIN-KRWDZBQOSA-N 1 1 353.470 1.522 50 0 FDAAMO CN1CCN(c2ncccc2CNC(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000011951505 872716951 /nfs/dbraw/zinc/71/69/51/872716951.db2.gz WDBWDCGFRHZAFH-RTBURBONSA-N 1 1 371.529 1.714 50 0 FDAAMO CN1CCN(c2ncccc2CNC(=O)[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000011951505 872716969 /nfs/dbraw/zinc/71/69/69/872716969.db2.gz WDBWDCGFRHZAFH-RTBURBONSA-N 1 1 371.529 1.714 50 0 FDAAMO CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1 ZINC000011813830 873766607 /nfs/dbraw/zinc/76/66/07/873766607.db2.gz HVILTUJXHFPZEY-INIZCTEOSA-N 1 1 372.494 1.535 50 0 FDAAMO CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1 ZINC000011813830 873766613 /nfs/dbraw/zinc/76/66/13/873766613.db2.gz HVILTUJXHFPZEY-INIZCTEOSA-N 1 1 372.494 1.535 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@H+](C)Cc3cnn(C(C)C)c3)C2)cc1 ZINC000011817173 893776667 /nfs/dbraw/zinc/77/66/67/893776667.db2.gz HIFJYCMGWIKCRB-OALUTQOASA-N 1 1 372.469 1.790 50 0 FDAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@@H+](C)Cc3cnn(C(C)C)c3)C2)cc1 ZINC000011817173 893776687 /nfs/dbraw/zinc/77/66/87/893776687.db2.gz HIFJYCMGWIKCRB-OALUTQOASA-N 1 1 372.469 1.790 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)Cc1ccccc1)CC2 ZINC000581802536 927588502 /nfs/dbraw/zinc/58/85/02/927588502.db2.gz JXLUFCMNWZQYFK-FQEVSTJZSA-N 1 1 371.525 1.874 50 0 FDAAMO CC[C@@H](C)Cc1nc(C2CC[NH+](CC(N)=O)CC2)n(CC(C)(C)O)n1 ZINC000952869161 960210402 /nfs/dbraw/zinc/21/04/02/960210402.db2.gz DSMQLTCGDNRKHF-CYBMUJFWSA-N 1 1 351.495 1.302 50 0 FDAAMO CCNC(=O)c1cc(NC(=O)[C@@H]2CC[N@@H+](CCOC)C2)ccc1Cl ZINC000952869338 960211294 /nfs/dbraw/zinc/21/12/94/960211294.db2.gz PMWPAWYFTHXUKK-GFCCVEGCSA-N 1 1 353.850 1.997 50 0 FDAAMO Cc1ccc([C@H](NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c2ccncc2)cc1 ZINC000952869644 960213451 /nfs/dbraw/zinc/21/34/51/960213451.db2.gz XOFRQTUFXBEQFE-ICSRJNTNSA-N 1 1 366.465 1.793 50 0 FDAAMO O=c1[nH]c2cc3c(cc2cc1CNCC[N@H+]1CCC[C@H](CO)C1)OCO3 ZINC000952969323 960261644 /nfs/dbraw/zinc/26/16/44/960261644.db2.gz AXLALYUGXFPMSG-ZDUSSCGKSA-N 1 1 359.426 1.463 50 0 FDAAMO O=c1[nH]c2cc3c(cc2cc1CNCC[N@@H+]1CCC[C@H](CO)C1)OCO3 ZINC000952969323 960261652 /nfs/dbraw/zinc/26/16/52/960261652.db2.gz AXLALYUGXFPMSG-ZDUSSCGKSA-N 1 1 359.426 1.463 50 0 FDAAMO CCc1nc2cc(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1CC ZINC000952970002 960262794 /nfs/dbraw/zinc/26/27/94/960262794.db2.gz BIHSJEPYTIYTBI-ZDUSSCGKSA-N 1 1 357.458 1.754 50 0 FDAAMO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1)c1ccccc1Cl ZINC000952973993 960268324 /nfs/dbraw/zinc/26/83/24/960268324.db2.gz CGLFVECBETUDJD-BBRMVZONSA-N 1 1 366.893 1.256 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000952987342 960311592 /nfs/dbraw/zinc/31/15/92/960311592.db2.gz LKOPHCLPUIYRHU-UHFFFAOYSA-N 1 1 356.430 1.603 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000952988228 960312579 /nfs/dbraw/zinc/31/25/79/960312579.db2.gz MVVARVUZWBOSJL-MRXNPFEDSA-N 1 1 358.479 1.847 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)N1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000952988228 960312581 /nfs/dbraw/zinc/31/25/81/960312581.db2.gz MVVARVUZWBOSJL-MRXNPFEDSA-N 1 1 358.479 1.847 50 0 FDAAMO CCC[C@@H]1CN(Cc2nc3ccccc3c(=O)n2C)CC[N@H+]1CCOC ZINC000121917008 999759380 /nfs/dbraw/zinc/75/93/80/999759380.db2.gz JQAZEZRECPKBCX-MRXNPFEDSA-N 1 1 358.486 1.866 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)[C@H](O)C1 ZINC000299797594 210038360 /nfs/dbraw/zinc/03/83/60/210038360.db2.gz OLWXMVYUKBOJHR-IAGOWNOFSA-N 1 1 361.446 1.020 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCCn2ccnc2)[C@H](O)C1 ZINC000299797594 210038364 /nfs/dbraw/zinc/03/83/64/210038364.db2.gz OLWXMVYUKBOJHR-IAGOWNOFSA-N 1 1 361.446 1.020 50 0 FDAAMO Cn1c2ccccc2nc1C1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000299798827 210037901 /nfs/dbraw/zinc/03/79/01/210037901.db2.gz UGQVYAQAFMGWHB-UHFFFAOYSA-N 1 1 369.513 1.917 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CSc3nccn3C)CC2)C[C@H](C)O1 ZINC000299797393 210036979 /nfs/dbraw/zinc/03/69/79/210036979.db2.gz QJAIFMMMHWWTTG-OKILXGFUSA-N 1 1 352.504 1.612 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 ZINC000299784229 210026670 /nfs/dbraw/zinc/02/66/70/210026670.db2.gz SVBWGOIDPOHHDW-UHFFFAOYSA-N 1 1 353.422 1.739 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C[C@H]2O)no1 ZINC000299781615 210024933 /nfs/dbraw/zinc/02/49/33/210024933.db2.gz OPQAOQQUCUTKHP-IEBWSBKVSA-N 1 1 366.421 1.896 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccco3)cc2)[C@H](O)C1 ZINC000299771226 210018889 /nfs/dbraw/zinc/01/88/89/210018889.db2.gz UOAFZDPDNDSSHF-IAGOWNOFSA-N 1 1 371.437 1.200 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3ccco3)cc2)[C@H](O)C1 ZINC000299771226 210018894 /nfs/dbraw/zinc/01/88/94/210018894.db2.gz UOAFZDPDNDSSHF-IAGOWNOFSA-N 1 1 371.437 1.200 50 0 FDAAMO CNC(=O)c1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2CO)ccc1OC ZINC000299770894 210017672 /nfs/dbraw/zinc/01/76/72/210017672.db2.gz SJOQHEYGKOITGS-AWEZNQCLSA-N 1 1 364.446 1.023 50 0 FDAAMO CCOc1ccc(NC(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000299767870 210015551 /nfs/dbraw/zinc/01/55/51/210015551.db2.gz WWEHOGDWIURARR-GFCCVEGCSA-N 1 1 352.410 1.543 50 0 FDAAMO CO[C@]12CC[N@H+](Cc3nc(CSC)no3)[C@H]1C[C@@H](OCCO)CC2 ZINC000299764161 210013987 /nfs/dbraw/zinc/01/39/87/210013987.db2.gz XDVXSBLADQAHCQ-HEHGZKQESA-N 1 1 357.476 1.454 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3nc(CSC)no3)[C@H]1C[C@@H](OCCO)CC2 ZINC000299764161 210013989 /nfs/dbraw/zinc/01/39/89/210013989.db2.gz XDVXSBLADQAHCQ-HEHGZKQESA-N 1 1 357.476 1.454 50 0 FDAAMO CNc1nc(N2CCOc3ccc(CO)cc3C2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299755637 210008652 /nfs/dbraw/zinc/00/86/52/210008652.db2.gz CFKTWHIYSQTJRC-CQSZACIVSA-N 1 1 356.426 1.914 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cnc3ncnn3c2)cc1 ZINC000534640868 540393526 /nfs/dbraw/zinc/39/35/26/540393526.db2.gz QXJNIELKOAMYFW-UHFFFAOYSA-N 1 1 366.425 1.243 50 0 FDAAMO CN(Cc1cnc2ccccc2n1)C(=O)NCC1(C[NH+]2CCOCC2)CC1 ZINC000534661857 540396661 /nfs/dbraw/zinc/39/66/61/540396661.db2.gz AZMGYXPGYCMNEE-UHFFFAOYSA-N 1 1 369.469 1.884 50 0 FDAAMO O[C@@]1(CNCc2nncn2CCc2ccccc2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063848287 212034153 /nfs/dbraw/zinc/03/41/53/212034153.db2.gz ZOYMZIQJLNKPPB-TZIWHRDSSA-N 1 1 369.513 1.990 50 0 FDAAMO C[C@H]1CCC[N@@H+](CC2(Cc3ccccc3)C(=O)N(C)C(=O)N(C)C2=O)C1 ZINC000061958049 212028439 /nfs/dbraw/zinc/02/84/39/212028439.db2.gz AQOWHQQXYIGLNA-HNNXBMFYSA-N 1 1 357.454 1.998 50 0 FDAAMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000058324990 212005226 /nfs/dbraw/zinc/00/52/26/212005226.db2.gz WSHDLLIWYNLDNJ-UHFFFAOYSA-N 1 1 353.488 1.526 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000014914244 220135362 /nfs/dbraw/zinc/13/53/62/220135362.db2.gz VNDSUTMVEAVCLT-ZDUSSCGKSA-N 1 1 359.451 1.719 50 0 FDAAMO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000014914244 220135364 /nfs/dbraw/zinc/13/53/64/220135364.db2.gz VNDSUTMVEAVCLT-ZDUSSCGKSA-N 1 1 359.451 1.719 50 0 FDAAMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023642202 211393397 /nfs/dbraw/zinc/39/33/97/211393397.db2.gz XMFQUHKMCRCQPY-LLVKDONJSA-N 1 1 373.379 1.457 50 0 FDAAMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023642202 211393399 /nfs/dbraw/zinc/39/33/99/211393399.db2.gz XMFQUHKMCRCQPY-LLVKDONJSA-N 1 1 373.379 1.457 50 0 FDAAMO CCn1ncc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c1C ZINC000023339734 211384589 /nfs/dbraw/zinc/38/45/89/211384589.db2.gz WJOOLFURTRWSEJ-SFHVURJKSA-N 1 1 361.534 1.978 50 0 FDAAMO COc1ccc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)cc1Cn1cncn1 ZINC000022932546 211371303 /nfs/dbraw/zinc/37/13/03/211371303.db2.gz ZYCOKAJVKSQLGB-IBGZPJMESA-N 1 1 373.501 1.612 50 0 FDAAMO C[NH+]1CCN(C(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)CC1 ZINC000020663630 211290773 /nfs/dbraw/zinc/29/07/73/211290773.db2.gz XIZOPQDDBGTKGA-FMIVXFBMSA-N 1 1 351.453 1.558 50 0 FDAAMO CS(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019999128 211264058 /nfs/dbraw/zinc/26/40/58/211264058.db2.gz LDWWACKNABGQMK-UHFFFAOYSA-N 1 1 365.499 1.002 50 0 FDAAMO CCC(N[C@@H]1CCCC[C@H]1[NH3+])=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020267179 211272059 /nfs/dbraw/zinc/27/20/59/211272059.db2.gz MBHCWENHJMABNB-DVHDIFOTSA-N 1 1 362.474 1.921 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000020019614 211263188 /nfs/dbraw/zinc/26/31/88/211263188.db2.gz YUXNFJVWJMDGRM-AWEZNQCLSA-N 1 1 361.442 1.221 50 0 FDAAMO Cc1cc(NC(=O)CCN2CC[NH+](CCO)CC2)ccc1Br ZINC000019570494 211235521 /nfs/dbraw/zinc/23/55/21/211235521.db2.gz VOLNJKLUYCOPTH-UHFFFAOYSA-N 1 1 370.291 1.696 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2ccccc2Cl)S(C)(=O)=O)CC1 ZINC000019527852 211229019 /nfs/dbraw/zinc/22/90/19/211229019.db2.gz NFLCAEFEHCOSLZ-UHFFFAOYSA-N 1 1 359.879 1.270 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000015935587 211150273 /nfs/dbraw/zinc/15/02/73/211150273.db2.gz XIULUECUCRITHR-UHFFFAOYSA-N 1 1 353.426 1.203 50 0 FDAAMO CCOC(=O)c1cnn(-c2ccc(C)cc2)c1C[NH2+]CCn1cncn1 ZINC000014886645 211103691 /nfs/dbraw/zinc/10/36/91/211103691.db2.gz ALIGTTOUDYWLAH-UHFFFAOYSA-N 1 1 354.414 1.739 50 0 FDAAMO CSCCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1 ZINC000014977052 211111621 /nfs/dbraw/zinc/11/16/21/211111621.db2.gz HZMQDGUDTMWSMF-QGZVFWFLSA-N 1 1 361.511 1.214 50 0 FDAAMO CSCCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1 ZINC000014977052 211111624 /nfs/dbraw/zinc/11/16/24/211111624.db2.gz HZMQDGUDTMWSMF-QGZVFWFLSA-N 1 1 361.511 1.214 50 0 FDAAMO CS(=O)(=O)NC1=NC2=[NH+][C@@H](c3ccccc3)C[C@@H](c3ccccc3)N2N1 ZINC000013122573 211024421 /nfs/dbraw/zinc/02/44/21/211024421.db2.gz KISCFENOGNFEAC-CVEARBPZSA-N 1 1 369.450 1.954 50 0 FDAAMO NC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc(C(N)=O)c1 ZINC000012996032 211017347 /nfs/dbraw/zinc/01/73/47/211017347.db2.gz NOMPONSCTBGXNN-AWEZNQCLSA-N 1 1 372.450 1.722 50 0 FDAAMO NC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc(C(N)=O)c1 ZINC000012996032 211017353 /nfs/dbraw/zinc/01/73/53/211017353.db2.gz NOMPONSCTBGXNN-AWEZNQCLSA-N 1 1 372.450 1.722 50 0 FDAAMO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CCC(C)C)n(C)c1=O ZINC000010336877 210358548 /nfs/dbraw/zinc/35/85/48/210358548.db2.gz ATAWAGNHDJJLOE-VOTSOKGWSA-N 1 1 358.446 1.715 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000054950342 221056782 /nfs/dbraw/zinc/05/67/82/221056782.db2.gz JRHZZSILXVSDSG-QGZVFWFLSA-N 1 1 374.466 1.855 50 0 FDAAMO C[N@H+]1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccccc2)C1 ZINC000054950342 221056786 /nfs/dbraw/zinc/05/67/86/221056786.db2.gz JRHZZSILXVSDSG-QGZVFWFLSA-N 1 1 374.466 1.855 50 0 FDAAMO CCCCS(=O)(=O)N1CCN(c2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000065363904 221202743 /nfs/dbraw/zinc/20/27/43/221202743.db2.gz YQMRLTOSJJZXDE-UHFFFAOYSA-N 1 1 367.519 1.637 50 0 FDAAMO Cc1nc2c(c(N3CCC[C@@H](CN4CCCC4=O)C3)n1)CC[N@@H+](C)CC2 ZINC000065370859 221203969 /nfs/dbraw/zinc/20/39/69/221203969.db2.gz ZPSXCGYLFHRNEK-INIZCTEOSA-N 1 1 357.502 1.654 50 0 FDAAMO CCc1cnc(C)nc1N1CC[NH+](Cc2c(C)nn(CCO)c2C)CC1 ZINC000065381044 221206441 /nfs/dbraw/zinc/20/64/41/221206441.db2.gz BYPGRCMBQBRYQP-UHFFFAOYSA-N 1 1 358.490 1.475 50 0 FDAAMO CC(C)[C@H]1C(=O)N(C)CC[N@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065383666 221207520 /nfs/dbraw/zinc/20/75/20/221207520.db2.gz IAHMZVRMACPADX-SFHVURJKSA-N 1 1 369.469 1.971 50 0 FDAAMO CC(C)[C@H]1C(=O)N(C)CC[N@@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065383666 221207522 /nfs/dbraw/zinc/20/75/22/221207522.db2.gz IAHMZVRMACPADX-SFHVURJKSA-N 1 1 369.469 1.971 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000067673171 221268075 /nfs/dbraw/zinc/26/80/75/221268075.db2.gz QJYWXAFYDTWTKX-INIZCTEOSA-N 1 1 367.457 1.562 50 0 FDAAMO Cc1cccnc1-n1cc(C2=CC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)CC2)cn1 ZINC000067675945 221269097 /nfs/dbraw/zinc/26/90/97/221269097.db2.gz FYCWUMAKLFDASK-UHFFFAOYSA-N 1 1 364.409 1.242 50 0 FDAAMO Cc1cccnc1-n1cc(C2=CC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)CC2)cn1 ZINC000067675945 221269098 /nfs/dbraw/zinc/26/90/98/221269098.db2.gz FYCWUMAKLFDASK-UHFFFAOYSA-N 1 1 364.409 1.242 50 0 FDAAMO Cc1c[nH]c(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000067883697 221300940 /nfs/dbraw/zinc/30/09/40/221300940.db2.gz LFLYGVCEQPTVMQ-INIZCTEOSA-N 1 1 373.501 1.657 50 0 FDAAMO C[NH+](C)C1(CNC[C@]2(O)CCCN(CC(C)(C)C)C2=O)CCOCC1 ZINC000067885177 221301563 /nfs/dbraw/zinc/30/15/63/221301563.db2.gz CPLZQQASRRQMFY-LJQANCHMSA-N 1 1 355.523 1.086 50 0 FDAAMO CC[NH+]1CCN(Cc2cc(C(=O)N[C@H](CO)c3ccccc3)no2)CC1 ZINC000067920751 221305702 /nfs/dbraw/zinc/30/57/02/221305702.db2.gz ULSVSYMQCYYOBA-GOSISDBHSA-N 1 1 358.442 1.276 50 0 FDAAMO Cc1oncc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071415850 221345882 /nfs/dbraw/zinc/34/58/82/221345882.db2.gz SVRRTTQXLIEJDV-MRXNPFEDSA-N 1 1 374.485 1.922 50 0 FDAAMO Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071439581 221348666 /nfs/dbraw/zinc/34/86/66/221348666.db2.gz LYSIVWUXIKHFRY-QGZVFWFLSA-N 1 1 370.497 1.985 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000071736384 221357090 /nfs/dbraw/zinc/35/70/90/221357090.db2.gz YMAHUIKAJOLZDB-MRXNPFEDSA-N 1 1 371.481 1.987 50 0 FDAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000071746843 221359404 /nfs/dbraw/zinc/35/94/04/221359404.db2.gz BKXWLMHUFXNADZ-MRXNPFEDSA-N 1 1 356.470 1.677 50 0 FDAAMO CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071764169 221371509 /nfs/dbraw/zinc/37/15/09/221371509.db2.gz GKNCIHPTFAMVSD-SFHVURJKSA-N 1 1 360.502 1.209 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2N[C@H]2CCC[N@H+](C)C2)C1 ZINC000071764096 221371859 /nfs/dbraw/zinc/37/18/59/221371859.db2.gz WWIQNYDHQHDMNS-INIZCTEOSA-N 1 1 366.469 1.949 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCCN(c4cc(N)[nH+]cn4)C3)CCC2=O)cn1 ZINC000077378271 132182591 /nfs/dbraw/zinc/18/25/91/132182591.db2.gz XXHBZLGPCMVHFZ-LJQANCHMSA-N 1 1 367.457 1.566 50 0 FDAAMO COc1nccnc1N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091619985 132202304 /nfs/dbraw/zinc/20/23/04/132202304.db2.gz RSRUXUTVQZVCGD-OAHLLOKOSA-N 1 1 359.474 1.398 50 0 FDAAMO Nc1nc(N2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)cc[nH+]1 ZINC000091908394 132204888 /nfs/dbraw/zinc/20/48/88/132204888.db2.gz RPCMTAOPCQUACE-UHFFFAOYSA-N 1 1 365.445 1.614 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000095369123 132208696 /nfs/dbraw/zinc/20/86/96/132208696.db2.gz LYLFUOIQPYWNST-MRXNPFEDSA-N 1 1 359.474 1.016 50 0 FDAAMO CCc1cc(N2CCC([NH2+][C@@H](CC)c3ncnn3C)CC2)nc(N(C)C)n1 ZINC000095522717 132214120 /nfs/dbraw/zinc/21/41/20/132214120.db2.gz NPGKHYDQGWPQDU-INIZCTEOSA-N 1 1 372.521 1.943 50 0 FDAAMO c1nc2c(ncnc2N2CCC([NH2+]Cc3nnc4n3CCCCC4)CC2)[nH]1 ZINC000096148484 132220558 /nfs/dbraw/zinc/22/05/58/132220558.db2.gz ALJZEDSVMSOZDH-UHFFFAOYSA-N 1 1 367.461 1.429 50 0 FDAAMO NC(=O)c1cc2c(nc1N1CC[NH+](CCOc3ccccc3)CC1)CCC2 ZINC000096179797 132221719 /nfs/dbraw/zinc/22/17/19/132221719.db2.gz GCWIIFXBSNUUDP-UHFFFAOYSA-N 1 1 366.465 1.870 50 0 FDAAMO Cc1nn(C)c2ncnc(N3CC[N@H+](Cc4ccco4)[C@@H](CCO)C3)c12 ZINC000106951135 132240867 /nfs/dbraw/zinc/24/08/67/132240867.db2.gz VZXXLVHBVNVOIO-AWEZNQCLSA-N 1 1 356.430 1.338 50 0 FDAAMO Cc1nn(C)c2ncnc(N3CC[N@@H+](Cc4ccco4)[C@@H](CCO)C3)c12 ZINC000106951135 132240868 /nfs/dbraw/zinc/24/08/68/132240868.db2.gz VZXXLVHBVNVOIO-AWEZNQCLSA-N 1 1 356.430 1.338 50 0 FDAAMO COC(=O)c1cccnc1N1CC[N@H+](Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000106990788 132265948 /nfs/dbraw/zinc/26/59/48/132265948.db2.gz NECITKOFPZPTNQ-QGZVFWFLSA-N 1 1 370.453 1.645 50 0 FDAAMO COC(=O)c1cccnc1N1CC[N@@H+](Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000106990788 132265950 /nfs/dbraw/zinc/26/59/50/132265950.db2.gz NECITKOFPZPTNQ-QGZVFWFLSA-N 1 1 370.453 1.645 50 0 FDAAMO Cc1ccc2cc(CN3CC[C@H]([NH3+])C3)c(N3CCN(CCO)CC3)nc2c1 ZINC000216516478 132271749 /nfs/dbraw/zinc/27/17/49/132271749.db2.gz YUBGYTMXAZSWBX-IBGZPJMESA-N 1 1 369.513 1.191 50 0 FDAAMO O=C(CC[N@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12)N1CCCc2ccccc21 ZINC000299759688 132297968 /nfs/dbraw/zinc/29/79/68/132297968.db2.gz QJWWGHKEHQNEQY-OALUTQOASA-N 1 1 367.453 1.793 50 0 FDAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ncccn3)CC2)[nH+]1 ZINC000056906805 136127930 /nfs/dbraw/zinc/12/79/30/136127930.db2.gz OSIWIJFXEIAEGB-UHFFFAOYSA-N 1 1 367.457 1.528 50 0 FDAAMO Cc1cccc(N2CCC([N@H+]3CCN[C@H](C(=O)NC4CC4)C3)CC2)c1C ZINC000072165858 136143404 /nfs/dbraw/zinc/14/34/04/136143404.db2.gz XBCSSCXZFWFNLB-IBGZPJMESA-N 1 1 356.514 1.825 50 0 FDAAMO C[NH+]1CCN(c2cc(NC(=O)Cn3ccc4ccccc43)ncn2)CC1 ZINC000075166226 136150241 /nfs/dbraw/zinc/15/02/41/136150241.db2.gz XAQPIWYWBMBNFN-UHFFFAOYSA-N 1 1 350.426 1.822 50 0 FDAAMO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095379639 221883335 /nfs/dbraw/zinc/88/33/35/221883335.db2.gz XIYOWSFCKQROCH-AWEZNQCLSA-N 1 1 370.453 1.430 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000096114489 222031455 /nfs/dbraw/zinc/03/14/55/222031455.db2.gz LJYCTMRCWOYJIH-UHFFFAOYSA-N 1 1 356.426 1.464 50 0 biogenic FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cnccn2)C[N@H+]1C1CCCCC1 ZINC000096133285 222037726 /nfs/dbraw/zinc/03/77/26/222037726.db2.gz KBGYLGXLTXLZGQ-QAPCUYQASA-N 1 1 373.501 1.850 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)C[N@@H+]1CCCc1ccccc1 ZINC000096132124 222038678 /nfs/dbraw/zinc/03/86/78/222038678.db2.gz OWAQBQINOHPWRH-IRXDYDNUSA-N 1 1 369.469 1.351 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2ncc[nH]2)C[N@H+]1CCCc1ccccc1 ZINC000096132124 222038682 /nfs/dbraw/zinc/03/86/82/222038682.db2.gz OWAQBQINOHPWRH-IRXDYDNUSA-N 1 1 369.469 1.351 50 0 FDAAMO COC(=O)c1ccc(NC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1Cl ZINC000096138923 222043265 /nfs/dbraw/zinc/04/32/65/222043265.db2.gz RNERHAZPMZAYKA-UHFFFAOYSA-N 1 1 368.821 1.198 50 0 FDAAMO COc1cc(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)cc(-n2cnnn2)c1 ZINC000096139517 222043738 /nfs/dbraw/zinc/04/37/38/222043738.db2.gz NXNYQLBTEYBAMG-ZDUSSCGKSA-N 1 1 371.445 1.761 50 0 FDAAMO Cc1[nH+]ccn1CCc1nc(-c2ccncc2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000096148442 222049775 /nfs/dbraw/zinc/04/97/75/222049775.db2.gz PJFRWNAONHKRDL-OAHLLOKOSA-N 1 1 372.454 1.447 50 0 FDAAMO C[N@H+]1CCC[C@H]1Cc1nc(CC(N)=O)nn1-c1cccc(C(F)(F)F)c1 ZINC000096151124 222053439 /nfs/dbraw/zinc/05/34/39/222053439.db2.gz GIWBSLHFKFXDKL-LBPRGKRZSA-N 1 1 367.375 1.951 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cncnc2C)C[N@H+]1C1CCCC1 ZINC000096152663 222055386 /nfs/dbraw/zinc/05/53/86/222055386.db2.gz MODLGZYZVSYUSO-YJBOKZPZSA-N 1 1 373.501 1.769 50 0 FDAAMO Cc1nn(-c2ccccc2)c(N)c1-c1cnn(CC[NH+]2CCOCC2)c1 ZINC000096162139 222062119 /nfs/dbraw/zinc/06/21/19/222062119.db2.gz MRNGYQUPWLJSHK-UHFFFAOYSA-N 1 1 352.442 1.959 50 0 FDAAMO O=C(c1coc(CN2CCOCC2)c1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097156003 222164828 /nfs/dbraw/zinc/16/48/28/222164828.db2.gz LNTAPZJLHYAPML-LJQANCHMSA-N 1 1 355.438 1.899 50 0 FDAAMO O=C(Cn1cccnc1=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000097402451 222179271 /nfs/dbraw/zinc/17/92/71/222179271.db2.gz JAEVMGDPPKOEPV-SFHVURJKSA-N 1 1 354.454 1.314 50 0 FDAAMO Cc1c(C[N@@H+](C)CC2(CO)CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000097797218 222213198 /nfs/dbraw/zinc/21/31/98/222213198.db2.gz CYKYPUSKBIVROI-UHFFFAOYSA-N 1 1 359.470 1.705 50 0 FDAAMO CCn1ccnc1C[N@H+]1C[C@H]2[C@H](C(=O)NC3Cc4ccccc4C3)[C@H]2C1 ZINC000102173321 222290380 /nfs/dbraw/zinc/29/03/80/222290380.db2.gz AWDWUHPVALNWDS-RUYXUALKSA-N 1 1 350.466 1.864 50 0 FDAAMO CCn1ccnc1C[N@@H+]1C[C@H]2[C@H](C(=O)NC3Cc4ccccc4C3)[C@H]2C1 ZINC000102173321 222290381 /nfs/dbraw/zinc/29/03/81/222290381.db2.gz AWDWUHPVALNWDS-RUYXUALKSA-N 1 1 350.466 1.864 50 0 FDAAMO C[N@@H+](CCCC[NH+]1CCOCC1)C[C@H]1[C@@H]2CN(C(=O)C3CCCC3)C[C@H]12 ZINC000102351780 222295054 /nfs/dbraw/zinc/29/50/54/222295054.db2.gz ICNGVRKGNPFZTC-OWZKRDHZSA-N 1 1 363.546 1.925 50 0 FDAAMO C[N@H+](CCCCN1CCOCC1)C[C@H]1[C@@H]2CN(C(=O)C3CCCC3)C[C@H]12 ZINC000102351780 222295056 /nfs/dbraw/zinc/29/50/56/222295056.db2.gz ICNGVRKGNPFZTC-OWZKRDHZSA-N 1 1 363.546 1.925 50 0 FDAAMO C[N@@H+](CCCCN1CCOCC1)C[C@H]1[C@@H]2CN(C(=O)C3CCCC3)C[C@H]12 ZINC000102351780 222295059 /nfs/dbraw/zinc/29/50/59/222295059.db2.gz ICNGVRKGNPFZTC-OWZKRDHZSA-N 1 1 363.546 1.925 50 0 FDAAMO COc1cc(Br)c(CNC[C@@H]2CN(C)CCO2)cc1OC ZINC000105472620 222368972 /nfs/dbraw/zinc/36/89/72/222368972.db2.gz MUCFGDVZOKSGLZ-GFCCVEGCSA-N 1 1 359.264 1.887 50 0 FDAAMO CCOc1ccc(CN2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1OC ZINC000107413805 222394791 /nfs/dbraw/zinc/39/47/91/222394791.db2.gz ZNKMQNKEJVHZFT-HXUWFJFHSA-N 1 1 361.486 1.880 50 0 FDAAMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc3n(n2)CCN(C(=O)C(C)C)C3)C1 ZINC000426536264 263626283 /nfs/dbraw/zinc/62/62/83/263626283.db2.gz JKFRLPSZLQFRNN-CQSZACIVSA-N 1 1 363.462 1.202 50 0 FDAAMO NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cccs2)CC1 ZINC000004333344 518295146 /nfs/dbraw/zinc/29/51/46/518295146.db2.gz ZDPQDLNHAWCCIG-UHFFFAOYSA-N 1 1 357.501 1.243 50 0 FDAAMO CCCCCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000005148125 518332897 /nfs/dbraw/zinc/33/28/97/518332897.db2.gz VOGKZVVZUIUJPS-UHFFFAOYSA-N 1 1 360.462 1.846 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000006784275 518385794 /nfs/dbraw/zinc/38/57/94/518385794.db2.gz BWKXZFWPHFITAG-HNNXBMFYSA-N 1 1 359.536 1.286 50 0 FDAAMO C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)n1ncn2cccc2c1=O ZINC000006799752 518386200 /nfs/dbraw/zinc/38/62/00/518386200.db2.gz XBCBZURHYPNHDR-HNNXBMFYSA-N 1 1 359.474 1.828 50 0 FDAAMO Cc1cccn2cc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)[nH+]c12 ZINC000007985073 518447673 /nfs/dbraw/zinc/44/76/73/518447673.db2.gz VSBHHBSEAPOGDZ-UHFFFAOYSA-N 1 1 372.450 1.637 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O ZINC000007990606 518448964 /nfs/dbraw/zinc/44/89/64/518448964.db2.gz MRQAKJZGXZMBBY-HNNXBMFYSA-N 1 1 370.453 1.721 50 0 FDAAMO CCN(Cc1nccn1C)C(=O)c1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000011935947 518579057 /nfs/dbraw/zinc/57/90/57/518579057.db2.gz PKJWPSMVSWHUNJ-UHFFFAOYSA-N 1 1 356.474 1.619 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)c(C)c1 ZINC000012078799 518586030 /nfs/dbraw/zinc/58/60/30/518586030.db2.gz QFZBUYBJJHNCTC-SFHVURJKSA-N 1 1 371.485 1.796 50 0 FDAAMO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCC(=O)NCCOC)CC1 ZINC000012075254 518586091 /nfs/dbraw/zinc/58/60/91/518586091.db2.gz LDUBWQTWCWTFNW-KRWDZBQOSA-N 1 1 353.507 1.642 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N(C)CCO)nn3)C2)c(C)c1 ZINC000012078797 518586132 /nfs/dbraw/zinc/58/61/32/518586132.db2.gz QFZBUYBJJHNCTC-GOSISDBHSA-N 1 1 371.485 1.796 50 0 FDAAMO CC(C)(C)N1C[C@H](C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CC1=O ZINC000091645503 518718173 /nfs/dbraw/zinc/71/81/73/518718173.db2.gz HBCGMZLGWFQGQW-QGZVFWFLSA-N 1 1 358.486 1.763 50 0 FDAAMO CC(C)(C)N1C[C@H](C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CC1=O ZINC000091645503 518718178 /nfs/dbraw/zinc/71/81/78/518718178.db2.gz HBCGMZLGWFQGQW-QGZVFWFLSA-N 1 1 358.486 1.763 50 0 FDAAMO Cn1ncc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1=O ZINC000020537562 518854430 /nfs/dbraw/zinc/85/44/30/518854430.db2.gz HLFYESHMEXCFRH-SFHVURJKSA-N 1 1 353.470 1.177 50 0 FDAAMO CC(=O)c1cccc(NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)c1 ZINC000021035163 518863819 /nfs/dbraw/zinc/86/38/19/518863819.db2.gz ITTVHCNYNNTNFX-UHFFFAOYSA-N 1 1 353.426 1.992 50 0 FDAAMO CCN1CCN(c2ncc(C(=O)NCCC[NH+](CC)CC)c(C)n2)CC1 ZINC000021638337 518879236 /nfs/dbraw/zinc/87/92/36/518879236.db2.gz KMTCMCVEPRTCCL-UHFFFAOYSA-N 1 1 362.522 1.389 50 0 FDAAMO CCc1ccc(N2CC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000021642650 518879537 /nfs/dbraw/zinc/87/95/37/518879537.db2.gz JBAUCHVOUVPWAK-GOSISDBHSA-N 1 1 359.470 1.440 50 0 FDAAMO CCc1ccc(N2CC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000021642643 518879715 /nfs/dbraw/zinc/87/97/15/518879715.db2.gz JBAUCHVOUVPWAK-SFHVURJKSA-N 1 1 359.470 1.440 50 0 FDAAMO COc1ccccc1CNc1nc(N2CC[NH+](C)CC2)nc2c1cnn2C ZINC000021929948 518886957 /nfs/dbraw/zinc/88/69/57/518886957.db2.gz ZBZPMXJXQBBRQW-UHFFFAOYSA-N 1 1 367.457 1.736 50 0 FDAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000025410592 519060899 /nfs/dbraw/zinc/06/08/99/519060899.db2.gz IXOYMMSJIYBWBJ-ZIAGYGMSSA-N 1 1 351.472 1.785 50 0 FDAAMO O=C(COn1nnc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025719419 519078792 /nfs/dbraw/zinc/07/87/92/519078792.db2.gz IJAWABMKWCWYTJ-UHFFFAOYSA-N 1 1 351.410 1.204 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862178 519086580 /nfs/dbraw/zinc/08/65/80/519086580.db2.gz FJALJPJQLFXQAQ-LBPRGKRZSA-N 1 1 355.394 1.973 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025862178 519086584 /nfs/dbraw/zinc/08/65/84/519086584.db2.gz FJALJPJQLFXQAQ-LBPRGKRZSA-N 1 1 355.394 1.973 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNC(=O)c2ccccc2F)C1 ZINC000028015490 519214350 /nfs/dbraw/zinc/21/43/50/519214350.db2.gz FPIAMMZJKSFKTR-CQSZACIVSA-N 1 1 351.422 1.029 50 0 FDAAMO CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)n(C)n1 ZINC000020451089 519431835 /nfs/dbraw/zinc/43/18/35/519431835.db2.gz IPXUVBRVIVFKIX-INIZCTEOSA-N 1 1 361.534 1.907 50 0 FDAAMO CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)n(C)n1 ZINC000020451089 519431840 /nfs/dbraw/zinc/43/18/40/519431840.db2.gz IPXUVBRVIVFKIX-INIZCTEOSA-N 1 1 361.534 1.907 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000033318365 519584994 /nfs/dbraw/zinc/58/49/94/519584994.db2.gz BQDQQOOAUSLQPY-UHFFFAOYSA-N 1 1 361.471 1.362 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000034667299 519594134 /nfs/dbraw/zinc/59/41/34/519594134.db2.gz UTNINHOEWVCNDW-ROUUACIJSA-N 1 1 368.449 1.386 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 ZINC000034667299 519594144 /nfs/dbraw/zinc/59/41/44/519594144.db2.gz UTNINHOEWVCNDW-ROUUACIJSA-N 1 1 368.449 1.386 50 0 FDAAMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034799551 519597047 /nfs/dbraw/zinc/59/70/47/519597047.db2.gz KPQHXGMMDMSOKR-KGLIPLIRSA-N 1 1 369.473 1.932 50 0 FDAAMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034799551 519597054 /nfs/dbraw/zinc/59/70/54/519597054.db2.gz KPQHXGMMDMSOKR-KGLIPLIRSA-N 1 1 369.473 1.932 50 0 FDAAMO COc1ccc(C)cc1NC(=O)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035380279 519605443 /nfs/dbraw/zinc/60/54/43/519605443.db2.gz JYHGTXASYDZOHV-KRWDZBQOSA-N 1 1 353.422 1.773 50 0 FDAAMO CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000035380433 519606356 /nfs/dbraw/zinc/60/63/56/519606356.db2.gz XEPMBUIGQIHSGV-FHWLQOOXSA-N 1 1 373.497 1.527 50 0 FDAAMO COCCCNC(=S)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000036847414 519629088 /nfs/dbraw/zinc/62/90/88/519629088.db2.gz GIGIKFWVIZUUBI-MRXNPFEDSA-N 1 1 350.532 1.698 50 0 FDAAMO CC(C)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040009441 519638040 /nfs/dbraw/zinc/63/80/40/519638040.db2.gz WLGANDPKYCWKCA-UHFFFAOYSA-N 1 1 354.472 1.810 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@@H](c2ccccc2)C1 ZINC000039982728 519638182 /nfs/dbraw/zinc/63/81/82/519638182.db2.gz WSMOGLNQGISVEO-LJQANCHMSA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2cnc3ccccc3c2=O)[C@@H](c2ccccc2)C1 ZINC000039982728 519638183 /nfs/dbraw/zinc/63/81/83/519638183.db2.gz WSMOGLNQGISVEO-LJQANCHMSA-N 1 1 362.433 1.912 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@@H](C)O1 ZINC000040047453 519638998 /nfs/dbraw/zinc/63/89/98/519638998.db2.gz TUCREPRRHJSWAW-HUUCEWRRSA-N 1 1 365.518 1.639 50 0 FDAAMO CCc1c(C(=O)NCCC[N@@H+](C)C(C)C)cnn1-c1ccc(OC)nn1 ZINC000040090697 519639961 /nfs/dbraw/zinc/63/99/61/519639961.db2.gz RNEJPZOPMOVPIO-UHFFFAOYSA-N 1 1 360.462 1.693 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)o1)c1ccco1 ZINC000040088768 519639982 /nfs/dbraw/zinc/63/99/82/519639982.db2.gz KJGQCNOHFHMQQK-GFCCVEGCSA-N 1 1 367.427 1.346 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@@H](O)c3ccc(F)cc3)cc2C1 ZINC000082166264 519732100 /nfs/dbraw/zinc/73/21/00/519732100.db2.gz DTFJWSMULJMFCU-SFHVURJKSA-N 1 1 360.433 1.844 50 0 FDAAMO CCCOCCN1CCC([N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082097348 520252319 /nfs/dbraw/zinc/25/23/19/520252319.db2.gz CXGJXCDPRUZXRU-SFHVURJKSA-N 1 1 367.534 1.448 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000020725371 520521721 /nfs/dbraw/zinc/52/17/21/520521721.db2.gz QQRKRZKEXSFCJS-IAGOWNOFSA-N 1 1 373.563 1.676 50 0 FDAAMO C[C@@H](CN(C)c1nc(-c2cccnc2)nc2c1cnn2C)[NH+]1CCOCC1 ZINC000072134352 522164168 /nfs/dbraw/zinc/16/41/68/522164168.db2.gz JVYFANIRXYNXGV-AWEZNQCLSA-N 1 1 367.457 1.582 50 0 FDAAMO CCCCOc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072138975 522165913 /nfs/dbraw/zinc/16/59/13/522165913.db2.gz QQHDUCHLASWSLR-QGZVFWFLSA-N 1 1 359.470 1.902 50 0 FDAAMO O=C(Cc1ccc2ccccc2c1)N1CC[NH2+]C[C@@H]1C(=O)N1CCCC1 ZINC000072163157 522187899 /nfs/dbraw/zinc/18/78/99/522187899.db2.gz CMLOQEYJGNKVIW-LJQANCHMSA-N 1 1 351.450 1.805 50 0 FDAAMO CCOC(=O)[C@@H](C)C[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000072309056 522210952 /nfs/dbraw/zinc/21/09/52/522210952.db2.gz KVLVGKAWTGSZMT-BBWFWOEESA-N 1 1 353.507 1.308 50 0 FDAAMO CCCOCC[N@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072418595 522246856 /nfs/dbraw/zinc/24/68/56/522246856.db2.gz GRQYPPPPICFTEO-INIZCTEOSA-N 1 1 365.522 1.378 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1 ZINC000072429740 522264984 /nfs/dbraw/zinc/26/49/84/522264984.db2.gz NSPYJCRWNHJWIR-KRWDZBQOSA-N 1 1 370.501 1.730 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CN(C)Cc3ccncc3)CC2)C[C@H](C)O1 ZINC000072431876 522268721 /nfs/dbraw/zinc/26/87/21/522268721.db2.gz LCOOLMRISNWHNB-CALCHBBNSA-N 1 1 360.502 1.614 50 0 FDAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000072473803 522296373 /nfs/dbraw/zinc/29/63/73/522296373.db2.gz XZIAGZVOPIERII-GOSISDBHSA-N 1 1 366.400 1.523 50 0 FDAAMO COCC[N@@H+](C)CCCNC(=O)Nc1ccc(NC(C)=O)c(OC)c1 ZINC000048386653 522726958 /nfs/dbraw/zinc/72/69/58/522726958.db2.gz WAYHRWZIGWJFHI-UHFFFAOYSA-N 1 1 352.435 1.743 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(CC(F)(F)F)C2CCC2)C1 ZINC000075104904 522878991 /nfs/dbraw/zinc/87/89/91/522878991.db2.gz KJJBMCXPSHMHKL-OAHLLOKOSA-N 1 1 365.440 1.876 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000051098889 522970379 /nfs/dbraw/zinc/97/03/79/522970379.db2.gz GHFDVABDDYBCMZ-LBPRGKRZSA-N 1 1 366.487 1.485 50 0 FDAAMO Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N3CCOCC3)CC2)s1 ZINC000051098538 522970424 /nfs/dbraw/zinc/97/04/24/522970424.db2.gz TZSBBPIBIMBFMA-UHFFFAOYSA-N 1 1 351.472 1.110 50 0 FDAAMO CCn1c(Cn2ccnc2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000091690713 523206735 /nfs/dbraw/zinc/20/67/35/523206735.db2.gz YIOXPYKMEJIWLC-UHFFFAOYSA-N 1 1 353.434 1.299 50 0 FDAAMO COc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c1 ZINC000077320668 523295037 /nfs/dbraw/zinc/29/50/37/523295037.db2.gz LPIFHMPPKRNEFF-QZTJIDSGSA-N 1 1 359.401 1.595 50 0 FDAAMO COc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c1 ZINC000077320668 523295044 /nfs/dbraw/zinc/29/50/44/523295044.db2.gz LPIFHMPPKRNEFF-QZTJIDSGSA-N 1 1 359.401 1.595 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1ccccn1 ZINC000077355208 523305897 /nfs/dbraw/zinc/30/58/97/523305897.db2.gz DMGWTYXITJEPEG-NVXWUHKLSA-N 1 1 369.421 1.218 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O)c1ccccn1 ZINC000077355208 523305908 /nfs/dbraw/zinc/30/59/08/523305908.db2.gz DMGWTYXITJEPEG-NVXWUHKLSA-N 1 1 369.421 1.218 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1O)c1cccnc1 ZINC000077388397 523319223 /nfs/dbraw/zinc/31/92/23/523319223.db2.gz WDCGZAVXCRIHKE-HZPDHXFCSA-N 1 1 355.394 1.176 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1O)c1cccnc1 ZINC000077388397 523319228 /nfs/dbraw/zinc/31/92/28/523319228.db2.gz WDCGZAVXCRIHKE-HZPDHXFCSA-N 1 1 355.394 1.176 50 0 FDAAMO CC[N@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)c1ccc(F)cc1 ZINC000053087902 523343033 /nfs/dbraw/zinc/34/30/33/523343033.db2.gz FKZQNPDISNKTIP-LLVKDONJSA-N 1 1 362.405 1.071 50 0 FDAAMO CC[N@@H+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)c1ccc(F)cc1 ZINC000053087902 523343041 /nfs/dbraw/zinc/34/30/41/523343041.db2.gz FKZQNPDISNKTIP-LLVKDONJSA-N 1 1 362.405 1.071 50 0 FDAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3cc(=O)c(OC)c[nH]3)C2)CCC1=O ZINC000077505849 523365799 /nfs/dbraw/zinc/36/57/99/523365799.db2.gz DOYSYSRKGMQVNF-LJQANCHMSA-N 1 1 363.458 1.235 50 0 FDAAMO CCCCc1nn(CC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c(=O)n1CC ZINC000077516340 523369196 /nfs/dbraw/zinc/36/91/96/523369196.db2.gz IEZKFWKVBGTPMV-KRWDZBQOSA-N 1 1 371.485 1.580 50 0 FDAAMO CCNC(=O)C[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077555149 523383159 /nfs/dbraw/zinc/38/31/59/523383159.db2.gz JXAPXTAXTBOHJS-LJQANCHMSA-N 1 1 359.474 1.126 50 0 FDAAMO CC1=C(C(=O)N2CC[NH+](C)CC2)[C@@H](c2ccccc2Cl)n2ncnc2N1 ZINC000054274521 523608148 /nfs/dbraw/zinc/60/81/48/523608148.db2.gz FZTJSORNBPDBEG-MRXNPFEDSA-N 1 1 372.860 1.994 50 0 FDAAMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000079475420 523755466 /nfs/dbraw/zinc/75/54/66/523755466.db2.gz RLVQHORCAFJPBY-UHFFFAOYSA-N 1 1 369.465 1.481 50 0 FDAAMO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[N@H+]1CCc2ccccc2C1 ZINC000079475420 523755470 /nfs/dbraw/zinc/75/54/70/523755470.db2.gz RLVQHORCAFJPBY-UHFFFAOYSA-N 1 1 369.465 1.481 50 0 FDAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)CC3 ZINC000055252890 523780240 /nfs/dbraw/zinc/78/02/40/523780240.db2.gz JFMJNPSNKBHHOL-CQSZACIVSA-N 1 1 354.454 1.558 50 0 FDAAMO Cc1ccc(C)c(NC(=O)CC(=O)NCCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000055269975 523783688 /nfs/dbraw/zinc/78/36/88/523783688.db2.gz NBWNNZVCYBMXCT-QGZVFWFLSA-N 1 1 361.486 1.985 50 0 FDAAMO COc1ccc(C2(C(=O)NCCC[NH+]3CCOCC3)CCOCC2)cc1 ZINC000020248177 523866772 /nfs/dbraw/zinc/86/67/72/523866772.db2.gz SOYKWMDNFXXKJB-UHFFFAOYSA-N 1 1 362.470 1.582 50 0 FDAAMO COC(=O)[C@H](CCSC)NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020358208 523899368 /nfs/dbraw/zinc/89/93/68/523899368.db2.gz CMAJIRGSIIOOPH-INIZCTEOSA-N 1 1 365.499 1.809 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cnc2sccn2c1=O ZINC000082093093 524208018 /nfs/dbraw/zinc/20/80/18/524208018.db2.gz UWYQTOYECLVTPN-HNNXBMFYSA-N 1 1 368.462 1.885 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2cnnc2)nc1 ZINC000082100117 524208868 /nfs/dbraw/zinc/20/88/68/524208868.db2.gz BWBUWRVBVOUHTN-GOSISDBHSA-N 1 1 362.437 1.791 50 0 FDAAMO Cc1ccc(C)c(C[N@H+]2CCCn3nc(CNS(C)(=O)=O)cc3C2)c1 ZINC000082108126 524210596 /nfs/dbraw/zinc/21/05/96/524210596.db2.gz FJNUMOIHBXQIJR-UHFFFAOYSA-N 1 1 362.499 1.955 50 0 FDAAMO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](Cn2cc(CNC(N)=O)nn2)C1 ZINC000020540130 524259129 /nfs/dbraw/zinc/25/91/29/524259129.db2.gz NLRPCMQKQGGNNL-MRXNPFEDSA-N 1 1 356.474 1.975 50 0 FDAAMO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436628 524357678 /nfs/dbraw/zinc/35/76/78/524357678.db2.gz NESPQKFPRDSIRZ-OAHLLOKOSA-N 1 1 353.260 1.978 50 0 FDAAMO O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1nc2ccc(F)cc2s1 ZINC000089807295 524529437 /nfs/dbraw/zinc/52/94/37/524529437.db2.gz CPOJLRGSOCGBDF-CYBMUJFWSA-N 1 1 364.446 1.780 50 0 FDAAMO CC(C)Oc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000091409955 524698522 /nfs/dbraw/zinc/69/85/22/524698522.db2.gz DZWAAQQDRQJBMD-QZTJIDSGSA-N 1 1 362.470 1.487 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1nc3ccccc3n1)CC2 ZINC000091410310 524699361 /nfs/dbraw/zinc/69/93/61/524699361.db2.gz UXMRORUECQNELX-UHFFFAOYSA-N 1 1 365.441 1.160 50 0 FDAAMO Cc1cc(-c2nn(C)c(Cl)c2C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3O)no1 ZINC000091473860 524709772 /nfs/dbraw/zinc/70/97/72/524709772.db2.gz CGGRBLFSJCKGJZ-OKILXGFUSA-N 1 1 366.849 1.745 50 0 FDAAMO O=C(C1CCC1)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2 ZINC000091503834 524716424 /nfs/dbraw/zinc/71/64/24/524716424.db2.gz DPACCVFQSXNPKJ-HNNXBMFYSA-N 1 1 371.485 1.022 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(Cc3nc4ccccc4n3C)C[C@@H]2CO)C[C@H](C)O1 ZINC000091519078 524718422 /nfs/dbraw/zinc/71/84/22/524718422.db2.gz BKQQNYIPDWPUGW-XMTFNYHQSA-N 1 1 372.513 1.723 50 0 FDAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2)N1CCOCC1 ZINC000091526246 524720390 /nfs/dbraw/zinc/72/03/90/524720390.db2.gz PMHRDCARMDSVRE-FXAWDEMLSA-N 1 1 369.509 1.409 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2CO)CC1 ZINC000091625247 524746379 /nfs/dbraw/zinc/74/63/79/524746379.db2.gz FYFIVEPXBQYCBQ-RTBURBONSA-N 1 1 370.497 1.486 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2CO)CC1 ZINC000091625247 524746392 /nfs/dbraw/zinc/74/63/92/524746392.db2.gz FYFIVEPXBQYCBQ-RTBURBONSA-N 1 1 370.497 1.486 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)C[C@@H]2CO)CC1 ZINC000091625247 524746404 /nfs/dbraw/zinc/74/64/04/524746404.db2.gz FYFIVEPXBQYCBQ-RTBURBONSA-N 1 1 370.497 1.486 50 0 FDAAMO Cc1nc2cc(C(=O)N3C[C@@H](CO)C[C@H](C[NH+]4CCOCC4)C3)ccc2[nH]1 ZINC000091680413 524760124 /nfs/dbraw/zinc/76/01/24/524760124.db2.gz HLBHPUXXTZKECD-CVEARBPZSA-N 1 1 372.469 1.274 50 0 FDAAMO CCn1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)cc1=O ZINC000091713941 524766402 /nfs/dbraw/zinc/76/64/02/524766402.db2.gz SINRHSSEHWZZMR-VQIMIIECSA-N 1 1 366.465 2.000 50 0 FDAAMO CCn1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cn1 ZINC000091754976 524776329 /nfs/dbraw/zinc/77/63/29/524776329.db2.gz TUPCLPWBTICZDG-UHFFFAOYSA-N 1 1 368.485 1.912 50 0 FDAAMO CCC[C@H]1C[N@H+](Cc2cn(CC)nc2C)C[C@@H]1NS(=O)(=O)C1CC1 ZINC000091794271 524787239 /nfs/dbraw/zinc/78/72/39/524787239.db2.gz GKINJHPIVKPXCB-YOEHRIQHSA-N 1 1 354.520 1.894 50 0 FDAAMO CCC[C@H]1C[N@@H+](Cc2cn(CC)nc2C)C[C@@H]1NS(=O)(=O)C1CC1 ZINC000091794271 524787251 /nfs/dbraw/zinc/78/72/51/524787251.db2.gz GKINJHPIVKPXCB-YOEHRIQHSA-N 1 1 354.520 1.894 50 0 FDAAMO CCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC(=O)N(C)C ZINC000091817662 524790315 /nfs/dbraw/zinc/79/03/15/524790315.db2.gz FEQLEXSQKHGUBB-DLBZAZTESA-N 1 1 359.470 1.596 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(C(=O)C[C@@H]1CCc3ccccc31)CC2 ZINC000091819438 524792616 /nfs/dbraw/zinc/79/26/16/524792616.db2.gz NTSMQHHAQOUGBJ-KRWDZBQOSA-N 1 1 355.482 1.919 50 0 FDAAMO NC(=O)C[N@@H+]1C[C@H](NC(=O)c2ccccc2N2CCCC2)[C@@H](C2CC2)C1 ZINC000091848355 524798867 /nfs/dbraw/zinc/79/88/67/524798867.db2.gz JRRIOJWLHYWYFZ-SJORKVTESA-N 1 1 356.470 1.212 50 0 FDAAMO NC(=O)C[N@H+]1C[C@H](NC(=O)c2ccccc2N2CCCC2)[C@@H](C2CC2)C1 ZINC000091848355 524798875 /nfs/dbraw/zinc/79/88/75/524798875.db2.gz JRRIOJWLHYWYFZ-SJORKVTESA-N 1 1 356.470 1.212 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000091908200 524812107 /nfs/dbraw/zinc/81/21/07/524812107.db2.gz OQHDROQXLVMYJM-HZPDHXFCSA-N 1 1 350.434 1.537 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1CO ZINC000091997293 524824981 /nfs/dbraw/zinc/82/49/81/524824981.db2.gz XMLJHHNRKZZCOW-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2c(F)cccc2Cl)C[C@@H]1CO ZINC000091997293 524824988 /nfs/dbraw/zinc/82/49/88/524824988.db2.gz XMLJHHNRKZZCOW-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO Cc1cccc([C@H](C(=O)N2CCN(CC(=O)NC(C)C)CC2)[NH+](C)C)c1 ZINC000095353544 525027657 /nfs/dbraw/zinc/02/76/57/525027657.db2.gz OTUFFPYKFWNSSM-LJQANCHMSA-N 1 1 360.502 1.267 50 0 FDAAMO CN(Cc1cccc2ncccc12)c1nc(N(C)C[C@H](O)CO)cc[nH+]1 ZINC000095354796 525029437 /nfs/dbraw/zinc/02/94/37/525029437.db2.gz FIJVXNUBHIMVNQ-HNNXBMFYSA-N 1 1 353.426 1.451 50 0 FDAAMO Cn1cc(C(=O)N2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000095358268 525031592 /nfs/dbraw/zinc/03/15/92/525031592.db2.gz ICULGWXUMMVZKM-IAGOWNOFSA-N 1 1 370.497 1.106 50 0 FDAAMO COCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095359813 525035680 /nfs/dbraw/zinc/03/56/80/525035680.db2.gz REQQGJAPENWHQC-QGZVFWFLSA-N 1 1 364.490 1.286 50 0 FDAAMO O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095359426 525035741 /nfs/dbraw/zinc/03/57/41/525035741.db2.gz OTQMSXWVJXXZQX-OAHLLOKOSA-N 1 1 354.458 1.933 50 0 FDAAMO CCCC(=O)C(=O)N1CCC[C@@H](c2nnc(Cn3cc[nH+]c3C)n2C)C1 ZINC000095365797 525041869 /nfs/dbraw/zinc/04/18/69/525041869.db2.gz NNQXGRPOHRMDEN-CQSZACIVSA-N 1 1 358.446 1.444 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095368912 525043726 /nfs/dbraw/zinc/04/37/26/525043726.db2.gz LTKLHVYOUFRGIX-CQSZACIVSA-N 1 1 361.490 1.047 50 0 FDAAMO Cc1ccc([C@@H](C(=O)N2CCN(Cc3nccn3C)CC2)[NH+](C)C)cc1 ZINC000095369738 525045169 /nfs/dbraw/zinc/04/51/69/525045169.db2.gz NSLMQRXNXDPMNM-IBGZPJMESA-N 1 1 355.486 1.676 50 0 FDAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000095373757 525048021 /nfs/dbraw/zinc/04/80/21/525048021.db2.gz YHSYLACUMAKTFA-MRXNPFEDSA-N 1 1 366.465 1.746 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1csc(N2CCOCC2)n1 ZINC000095375979 525048665 /nfs/dbraw/zinc/04/86/65/525048665.db2.gz JFPGTSLOSDLODU-HNNXBMFYSA-N 1 1 352.504 1.860 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(N(C)C)c1)C2 ZINC000095380779 525054529 /nfs/dbraw/zinc/05/45/29/525054529.db2.gz IOJVZJCCRXVYCL-MAUKXSAKSA-N 1 1 358.486 1.377 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc(N(C)C)c1)C2 ZINC000095380779 525054539 /nfs/dbraw/zinc/05/45/39/525054539.db2.gz IOJVZJCCRXVYCL-MAUKXSAKSA-N 1 1 358.486 1.377 50 0 FDAAMO Cc1[nH]c2ccccc2c1CC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000095388163 525061739 /nfs/dbraw/zinc/06/17/39/525061739.db2.gz WJXMCLFPKNLZIT-OAQYLSRUSA-N 1 1 368.481 1.832 50 0 FDAAMO Cc1ccc(NS(C)(=O)=O)cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000095499272 525082145 /nfs/dbraw/zinc/08/21/45/525082145.db2.gz PHXKLAVWCVKFPD-UHFFFAOYSA-N 1 1 370.475 1.210 50 0 FDAAMO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1)C1CCS(=O)(=O)CC1 ZINC000095503524 525086415 /nfs/dbraw/zinc/08/64/15/525086415.db2.gz MFUXKTFGBSZNNJ-AWEZNQCLSA-N 1 1 354.472 1.527 50 0 FDAAMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1)C1CCS(=O)(=O)CC1 ZINC000095503524 525086423 /nfs/dbraw/zinc/08/64/23/525086423.db2.gz MFUXKTFGBSZNNJ-AWEZNQCLSA-N 1 1 354.472 1.527 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)CCSC)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000095506968 525090172 /nfs/dbraw/zinc/09/01/72/525090172.db2.gz ZSFIJYAXIBZVBK-WBVHZDCISA-N 1 1 374.510 1.726 50 0 FDAAMO CNC(=O)[C@@H]1C[C@@H](NC(=O)CCSC)C[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000095506968 525090185 /nfs/dbraw/zinc/09/01/85/525090185.db2.gz ZSFIJYAXIBZVBK-WBVHZDCISA-N 1 1 374.510 1.726 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNc2ncnc3c2Cc2ccccc2OC3)C1 ZINC000095507134 525090760 /nfs/dbraw/zinc/09/07/60/525090760.db2.gz JOQVAJNCKIDRKM-OAHLLOKOSA-N 1 1 367.453 1.569 50 0 FDAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 ZINC000095507017 525091289 /nfs/dbraw/zinc/09/12/89/525091289.db2.gz RWEOILPOZCUMBX-CQSZACIVSA-N 1 1 352.504 1.716 50 0 FDAAMO CN(CCO)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095512981 525094764 /nfs/dbraw/zinc/09/47/64/525094764.db2.gz WAZYRJFARNNFTB-NRFANRHFSA-N 1 1 370.493 1.909 50 0 FDAAMO CN(CCO)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095512981 525094768 /nfs/dbraw/zinc/09/47/68/525094768.db2.gz WAZYRJFARNNFTB-NRFANRHFSA-N 1 1 370.493 1.909 50 0 FDAAMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000095943235 525109223 /nfs/dbraw/zinc/10/92/23/525109223.db2.gz RBIDUIPRTPKGNJ-YJBOKZPZSA-N 1 1 362.433 1.945 50 0 FDAAMO Cc1nn([C@H](C)C(=O)NCCC[NH+]2CCOCC2)cc1Br ZINC000020028548 526305519 /nfs/dbraw/zinc/30/55/19/526305519.db2.gz HSHTZJACDWEOBB-GFCCVEGCSA-N 1 1 359.268 1.354 50 0 FDAAMO O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CC[NH+](CCn2cccc2)CC1 ZINC000091486150 526524871 /nfs/dbraw/zinc/52/48/71/526524871.db2.gz OVJPLGKQMXWJOW-KRWDZBQOSA-N 1 1 358.486 1.423 50 0 FDAAMO O=C1CCC2(CC[NH+](Cc3nnc(-c4cccnc4)o3)CC2)CN1CCO ZINC000091624725 526964313 /nfs/dbraw/zinc/96/43/13/526964313.db2.gz PWQUZVNNHLTHRM-UHFFFAOYSA-N 1 1 371.441 1.329 50 0 FDAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)n1 ZINC000080338760 527457214 /nfs/dbraw/zinc/45/72/14/527457214.db2.gz OAUHXXFDGPGASV-IUODEOHRSA-N 1 1 359.455 1.770 50 0 FDAAMO CCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N3CCC(O)CC3)cc[nH+]1)C2 ZINC000091486565 535346501 /nfs/dbraw/zinc/34/65/01/535346501.db2.gz GKNSZRLQOISHCN-LSDHHAIUSA-N 1 1 359.474 1.275 50 0 FDAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186635634 536239362 /nfs/dbraw/zinc/23/93/62/536239362.db2.gz SFYGDLMHUZKRAX-INIZCTEOSA-N 1 1 368.437 1.686 50 0 FDAAMO COCc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071757022 536725181 /nfs/dbraw/zinc/72/51/81/536725181.db2.gz ATOZTQMMCNSSCP-HNNXBMFYSA-N 1 1 373.501 1.582 50 0 FDAAMO COc1ccc(C[N@@H+](C)CCCS(=O)(=O)N(C)C)c2cccnc12 ZINC000252500598 537250239 /nfs/dbraw/zinc/25/02/39/537250239.db2.gz SYUGWRFRESSYTL-UHFFFAOYSA-N 1 1 351.472 1.957 50 0 FDAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000219817621 537479685 /nfs/dbraw/zinc/47/96/85/537479685.db2.gz PBBZDOLJQCHPIK-SFHVURJKSA-N 1 1 366.465 1.789 50 0 FDAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000229766216 537575640 /nfs/dbraw/zinc/57/56/40/537575640.db2.gz MPDIBENOGAYWET-ICSRJNTNSA-N 1 1 374.481 1.986 50 0 FDAAMO CCn1ccc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230197199 537579935 /nfs/dbraw/zinc/57/99/35/537579935.db2.gz WGEMFIDICBVNQF-HXUWFJFHSA-N 1 1 359.518 1.812 50 0 FDAAMO CCOc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)c1 ZINC000244678934 537650447 /nfs/dbraw/zinc/65/04/47/537650447.db2.gz IMQCLZQOBWMPNB-RTBURBONSA-N 1 1 355.438 1.846 50 0 FDAAMO CCOc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)c1 ZINC000244678934 537650452 /nfs/dbraw/zinc/65/04/52/537650452.db2.gz IMQCLZQOBWMPNB-RTBURBONSA-N 1 1 355.438 1.846 50 0 FDAAMO CCn1nc(C)c(CN(CCOC)C(=O)C[C@H]2CN(C)CC[N@H+]2C)c1C ZINC000244734645 537650804 /nfs/dbraw/zinc/65/08/04/537650804.db2.gz NJKSHKGCYYBPAN-KRWDZBQOSA-N 1 1 365.522 1.131 50 0 FDAAMO CCn1nc(C)c(CN(CCOC)C(=O)C[C@H]2C[N@H+](C)CCN2C)c1C ZINC000244734645 537650807 /nfs/dbraw/zinc/65/08/07/537650807.db2.gz NJKSHKGCYYBPAN-KRWDZBQOSA-N 1 1 365.522 1.131 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000244734798 537651547 /nfs/dbraw/zinc/65/15/47/537651547.db2.gz NMBDSTJANXNBFG-ZDUSSCGKSA-N 1 1 355.402 1.132 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCC[N@@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000244734798 537651550 /nfs/dbraw/zinc/65/15/50/537651550.db2.gz NMBDSTJANXNBFG-ZDUSSCGKSA-N 1 1 355.402 1.132 50 0 FDAAMO CC(=O)c1cc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)cs1 ZINC000244873152 537654699 /nfs/dbraw/zinc/65/46/99/537654699.db2.gz WKXGNABYMVLIPD-IAGOWNOFSA-N 1 1 373.478 1.640 50 0 FDAAMO CC(=O)c1cc(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)cs1 ZINC000244873152 537654701 /nfs/dbraw/zinc/65/47/01/537654701.db2.gz WKXGNABYMVLIPD-IAGOWNOFSA-N 1 1 373.478 1.640 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(-c3ccccc3O)cc2)C1 ZINC000426727309 538125914 /nfs/dbraw/zinc/12/59/14/538125914.db2.gz BSFHJNKKDKSTOM-QGZVFWFLSA-N 1 1 367.449 1.986 50 0 FDAAMO Cc1nc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CO)cc2)nn1C ZINC000584886271 551564985 /nfs/dbraw/zinc/56/49/85/551564985.db2.gz VCLGXZFDUPVXEH-GOSISDBHSA-N 1 1 371.485 1.757 50 0 FDAAMO CC(=O)N1CCO[C@H](CNC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)C1 ZINC000584899968 551566941 /nfs/dbraw/zinc/56/69/41/551566941.db2.gz HPQSIQKGYBUTJW-LJQANCHMSA-N 1 1 374.485 1.070 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](O)C1 ZINC000426487665 570608075 /nfs/dbraw/zinc/60/80/75/570608075.db2.gz XJUQHIRSPGWJDP-GDBMZVCRSA-N 1 1 360.414 1.522 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H](O)C1 ZINC000426487665 570608076 /nfs/dbraw/zinc/60/80/76/570608076.db2.gz XJUQHIRSPGWJDP-GDBMZVCRSA-N 1 1 360.414 1.522 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)c2cccc(-c3ccc(C(N)=O)cn3)c2)C1 ZINC000426571875 570616902 /nfs/dbraw/zinc/61/69/02/570616902.db2.gz ZWPKKULLYFTLPK-CQSZACIVSA-N 1 1 368.437 1.156 50 0 FDAAMO Cc1csc(=O)n1CCC(=O)NCc1ccnc(-n2cc[nH+]c2C)c1 ZINC000047014062 570878217 /nfs/dbraw/zinc/87/82/17/570878217.db2.gz SNNHRCUHJQCWLF-UHFFFAOYSA-N 1 1 357.439 1.814 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)C[C@H]3CN(C)CC[N@H+]3C)c2n1 ZINC000244716057 571115152 /nfs/dbraw/zinc/11/51/52/571115152.db2.gz LHPNVYBWNMQQGU-KRWDZBQOSA-N 1 1 356.470 1.674 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)C[C@H]3C[N@@H+](C)CCN3C)c2n1 ZINC000244716057 571115154 /nfs/dbraw/zinc/11/51/54/571115154.db2.gz LHPNVYBWNMQQGU-KRWDZBQOSA-N 1 1 356.470 1.674 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)C[C@H]3C[N@H+](C)CCN3C)c2n1 ZINC000244716057 571115156 /nfs/dbraw/zinc/11/51/56/571115156.db2.gz LHPNVYBWNMQQGU-KRWDZBQOSA-N 1 1 356.470 1.674 50 0 FDAAMO CSc1ncc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(C)CC2)n1C ZINC000252488304 571132675 /nfs/dbraw/zinc/13/26/75/571132675.db2.gz IOTLMAGFMOJRPA-HNNXBMFYSA-N 1 1 351.520 1.317 50 0 FDAAMO CSc1ncc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCN(C)CC2)n1C ZINC000252488304 571132679 /nfs/dbraw/zinc/13/26/79/571132679.db2.gz IOTLMAGFMOJRPA-HNNXBMFYSA-N 1 1 351.520 1.317 50 0 FDAAMO OCCNc1nc(N2CCC(c3ccncc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426409004 571132800 /nfs/dbraw/zinc/13/28/00/571132800.db2.gz QDDMDTGYSXNTKG-KRWDZBQOSA-N 1 1 369.469 2.164 50 0 FDAAMO CSc1ccc(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)cc1 ZINC000426472967 571134947 /nfs/dbraw/zinc/13/49/47/571134947.db2.gz QEZCQYKMZWFNHL-AWEZNQCLSA-N 1 1 372.494 2.495 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cc3ccccc3n(C)c1=O)CC2 ZINC000253537449 571138229 /nfs/dbraw/zinc/13/82/29/571138229.db2.gz ZMSZPWYLCSQHQI-UHFFFAOYSA-N 1 1 350.422 1.943 50 0 FDAAMO Cc1nc(CN(C)C(=O)C2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)cs1 ZINC000426358908 571214836 /nfs/dbraw/zinc/21/48/36/571214836.db2.gz DUZWYFQLSZSECY-OAHLLOKOSA-N 1 1 371.528 1.309 50 0 FDAAMO COc1cc(CNC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)ccc1O ZINC000426399435 571220282 /nfs/dbraw/zinc/22/02/82/571220282.db2.gz QNSRPAJAXRIARU-MRXNPFEDSA-N 1 1 363.458 1.389 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)COCc2ccccc2)[C@H](O)C1 ZINC000426438520 571225079 /nfs/dbraw/zinc/22/50/79/571225079.db2.gz CHIDEUDOQXYLOR-RTBURBONSA-N 1 1 373.453 1.560 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)COCc2ccccc2)[C@H](O)C1 ZINC000426438520 571225080 /nfs/dbraw/zinc/22/50/80/571225080.db2.gz CHIDEUDOQXYLOR-RTBURBONSA-N 1 1 373.453 1.560 50 0 FDAAMO O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000426497106 571228595 /nfs/dbraw/zinc/22/85/95/571228595.db2.gz YINOATYNWXLETM-KRWDZBQOSA-N 1 1 365.499 1.193 50 0 FDAAMO O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000426497106 571228597 /nfs/dbraw/zinc/22/85/97/571228597.db2.gz YINOATYNWXLETM-KRWDZBQOSA-N 1 1 365.499 1.193 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000426514619 571229564 /nfs/dbraw/zinc/22/95/64/571229564.db2.gz HPWRFKMTXMFAFR-SFHVURJKSA-N 1 1 356.470 1.683 50 0 FDAAMO Cc1cc(=O)[nH]c(CCNC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000426530406 571230348 /nfs/dbraw/zinc/23/03/48/571230348.db2.gz KKOKPJWLAXKXOD-UHFFFAOYSA-N 1 1 369.469 1.603 50 0 FDAAMO O=C(NC1CC1)[C@@H](O)C1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000585087279 571320210 /nfs/dbraw/zinc/32/02/10/571320210.db2.gz IGTIQDWGOPCESV-HNNXBMFYSA-N 1 1 368.380 1.860 50 0 FDAAMO Cc1cc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)no1 ZINC000670441455 571348931 /nfs/dbraw/zinc/34/89/31/571348931.db2.gz KINBDEDHJGEAAA-RVSXGSNBSA-N 1 1 352.438 1.280 50 0 FDAAMO Cn1ccnc1CN(CCO)C(=O)NC[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000670454932 571353644 /nfs/dbraw/zinc/35/36/44/571353644.db2.gz PTWSOEYJNZLUDA-INIZCTEOSA-N 1 1 363.506 1.579 50 0 FDAAMO CN1CC[NH+](C[C@@H](O)COc2ccc(CNCC(F)(F)F)cc2)CC1 ZINC000019226749 670666172 /nfs/dbraw/zinc/66/61/72/670666172.db2.gz BZYKKULFTTXTGC-OAHLLOKOSA-N 1 1 361.408 1.326 50 0 FDAAMO CC[NH2+]Cc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1 ZINC000020599625 670669764 /nfs/dbraw/zinc/66/97/64/670669764.db2.gz OKGYPAMBVLPZJK-QGZVFWFLSA-N 1 1 351.491 1.182 50 0 FDAAMO COCCn1c(C)c[nH+]c1CCNS(=O)(=O)Cc1ccccc1F ZINC000169788125 672041939 /nfs/dbraw/zinc/04/19/39/672041939.db2.gz WEIWKKFZUVOIBN-UHFFFAOYSA-N 1 1 355.435 1.639 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CC[C@H](c3[nH+]cc(C)n3CCOC)C2)cn1 ZINC000169791947 672043014 /nfs/dbraw/zinc/04/30/14/672043014.db2.gz AHFCLQPHIYQNDQ-AWEZNQCLSA-N 1 1 367.475 1.233 50 0 FDAAMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@H]2C1 ZINC000285238606 675808706 /nfs/dbraw/zinc/80/87/06/675808706.db2.gz XSGXISWOJFGVKQ-KBPBESRZSA-N 1 1 353.469 1.390 50 0 FDAAMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@H]2C1 ZINC000285238606 675808708 /nfs/dbraw/zinc/80/87/08/675808708.db2.gz XSGXISWOJFGVKQ-KBPBESRZSA-N 1 1 353.469 1.390 50 0 FDAAMO Cc1cnc(N2CCC[C@@H](Cn3cc(C[NH+]4CCCC4)nn3)C2)nc1N ZINC000023379876 785859577 /nfs/dbraw/zinc/85/95/77/785859577.db2.gz SBKKPPOOZVGFMB-OAHLLOKOSA-N 1 1 356.478 1.471 50 0 FDAAMO CCn1ncc(C[N@@H+]2CC[C@H](CO)[C@H](NC(=O)c3cccnc3)C2)c1C ZINC000581799066 787000887 /nfs/dbraw/zinc/00/08/87/787000887.db2.gz IEZAVFTXBICWSQ-SJLPKXTDSA-N 1 1 357.458 1.219 50 0 FDAAMO CCn1ncc(C[N@H+]2CC[C@H](CO)[C@H](NC(=O)c3cccnc3)C2)c1C ZINC000581799066 787000901 /nfs/dbraw/zinc/00/09/01/787000901.db2.gz IEZAVFTXBICWSQ-SJLPKXTDSA-N 1 1 357.458 1.219 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2CO)cc1F ZINC000257188815 793996989 /nfs/dbraw/zinc/99/69/89/793996989.db2.gz GKZGWJYNWXCREH-WMLDXEAASA-N 1 1 359.401 1.452 50 0 FDAAMO COc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CO)cc1F ZINC000257188815 793996995 /nfs/dbraw/zinc/99/69/95/793996995.db2.gz GKZGWJYNWXCREH-WMLDXEAASA-N 1 1 359.401 1.452 50 0 FDAAMO CC(C)C[N@@H+]1CCn2c(nnc2C2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000675016543 795229321 /nfs/dbraw/zinc/22/93/21/795229321.db2.gz XWPOLQKFCOIPPK-UHFFFAOYSA-N 1 1 369.535 1.667 50 0 FDAAMO CC(C)C[N@H+]1CCn2c(nnc2C2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000675016543 795229328 /nfs/dbraw/zinc/22/93/28/795229328.db2.gz XWPOLQKFCOIPPK-UHFFFAOYSA-N 1 1 369.535 1.667 50 0 FDAAMO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CCn4ncc(C(N)=O)c4C3)C2)C1 ZINC000332985305 800736448 /nfs/dbraw/zinc/73/64/48/800736448.db2.gz VKPMXOFNFPTFDS-SCLBCKFNSA-N 1 1 360.462 1.066 50 0 FDAAMO Cn1cnc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4cccnc4)C[C@H]3O)ccc21 ZINC000252479917 810450043 /nfs/dbraw/zinc/45/00/43/810450043.db2.gz BPYOVJADORLUHU-VQIMIIECSA-N 1 1 365.437 1.334 50 0 FDAAMO Cn1cnc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4cccnc4)C[C@H]3O)ccc21 ZINC000252479917 810450047 /nfs/dbraw/zinc/45/00/47/810450047.db2.gz BPYOVJADORLUHU-VQIMIIECSA-N 1 1 365.437 1.334 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-c3c[nH]cn3)c2)C1 ZINC000426597234 810736756 /nfs/dbraw/zinc/73/67/56/810736756.db2.gz NVBIJXKRRJDMGK-CQSZACIVSA-N 1 1 356.430 1.396 50 0 FDAAMO COc1ccccc1N1CC[C@H]([N@@H+]2CCCN(c3cccnn3)CC2)C1=O ZINC000151040273 861230318 /nfs/dbraw/zinc/23/03/18/861230318.db2.gz PNTGIRUSBJXNEF-KRWDZBQOSA-N 1 1 367.453 1.803 50 0 FDAAMO COc1ccccc1N1CC[C@H]([N@H+]2CCCN(c3cccnn3)CC2)C1=O ZINC000151040273 861230328 /nfs/dbraw/zinc/23/03/28/861230328.db2.gz PNTGIRUSBJXNEF-KRWDZBQOSA-N 1 1 367.453 1.803 50 0 FDAAMO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000176623306 876782998 /nfs/dbraw/zinc/78/29/98/876782998.db2.gz IEXIOOIENSZGTO-HNNXBMFYSA-N 1 1 355.479 1.619 50 0 FDAAMO O=C(CCN1CCOCC1)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012313913 877996390 /nfs/dbraw/zinc/99/63/90/877996390.db2.gz JELDFMKQVLUKJH-IBGZPJMESA-N 1 1 357.498 1.457 50 0 FDAAMO Cc1cc(NC(=O)[C@H]2CC(=O)N(C)C2(C)C)ccc1NC(=O)C[NH+](C)C ZINC000823676156 921998950 /nfs/dbraw/zinc/99/89/50/921998950.db2.gz LBPWJHLXPUZXJV-CQSZACIVSA-N 1 1 360.458 1.691 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cncc(O)c1 ZINC000828930861 924978611 /nfs/dbraw/zinc/97/86/11/924978611.db2.gz ZDYRAEAXSUSGIZ-BSLVTKGXSA-N 1 1 364.449 1.085 50 0 FDAAMO COc1ccc(C(=O)N2CC([N@@H+](CC(C)C)C3CCN(C)CC3)C2)cn1 ZINC000581799696 927584574 /nfs/dbraw/zinc/58/45/74/927584574.db2.gz LCKMXKSHCXTDFH-UHFFFAOYSA-N 1 1 360.502 1.967 50 0 FDAAMO CCNC(=O)N1CCC([N@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802891 927588576 /nfs/dbraw/zinc/58/85/76/927588576.db2.gz RCTQTAUYZSISFL-QGZVFWFLSA-N 1 1 351.491 1.840 50 0 FDAAMO COCC[N@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000952966478 960253700 /nfs/dbraw/zinc/25/37/00/960253700.db2.gz WOLKFYOKGWRIRV-LLVKDONJSA-N 1 1 366.405 1.693 50 0 FDAAMO O=c1[nH]c2cc3c(cc2cc1CNCC[N@H+]1CCC[C@@H](CO)C1)OCO3 ZINC000952969309 960260647 /nfs/dbraw/zinc/26/06/47/960260647.db2.gz AXLALYUGXFPMSG-CYBMUJFWSA-N 1 1 359.426 1.463 50 0 FDAAMO O=c1[nH]c2cc3c(cc2cc1CNCC[N@@H+]1CCC[C@@H](CO)C1)OCO3 ZINC000952969309 960260654 /nfs/dbraw/zinc/26/06/54/960260654.db2.gz AXLALYUGXFPMSG-CYBMUJFWSA-N 1 1 359.426 1.463 50 0 FDAAMO COc1ccc(NC(=O)C(C)C)c(NC(=O)[C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000952969334 960261724 /nfs/dbraw/zinc/26/17/24/960261724.db2.gz SRSSSNZRTBHSAT-MRXNPFEDSA-N 1 1 357.414 1.838 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2OC[C@H]2CCCO2)C1 ZINC000952982161 960296416 /nfs/dbraw/zinc/29/64/16/960296416.db2.gz OYGDKVJLDGJZFU-LSDHHAIUSA-N 1 1 361.442 1.380 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2OC[C@H]2CCCO2)C1 ZINC000952982161 960296423 /nfs/dbraw/zinc/29/64/23/960296423.db2.gz OYGDKVJLDGJZFU-LSDHHAIUSA-N 1 1 361.442 1.380 50 0 FDAAMO C[NH+]1CCN(CC2(CNC(=O)c3n[nH]c(=O)c4ccccc43)CC2)CC1 ZINC000952984477 960303494 /nfs/dbraw/zinc/30/34/94/960303494.db2.gz UNHMTZDHCSAPSU-UHFFFAOYSA-N 1 1 355.442 1.093 50 0 FDAAMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2nnc3ccccn32)CC1 ZINC000123165715 999944471 /nfs/dbraw/zinc/94/44/71/999944471.db2.gz RPIAWQLHLAEPNZ-UHFFFAOYSA-N 1 1 353.430 1.627 50 0 FDAAMO Cn1c2ccc(CN3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)cc2sc1=O ZINC000195039833 178236769 /nfs/dbraw/zinc/23/67/69/178236769.db2.gz UDFVPCZFTIOKGI-INIZCTEOSA-N 1 1 374.510 1.338 50 0 FDAAMO C[N@H+]1CCOC[C@H](CNC(=O)CCCc2nc(-c3ccncc3)no2)C1 ZINC000299762888 529781052 /nfs/dbraw/zinc/78/10/52/529781052.db2.gz DECNCVJSTFMRQY-CQSZACIVSA-N 1 1 359.430 1.149 50 0 FDAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1cc(NS(C)(=O)=O)ccc1F ZINC000299781228 530063134 /nfs/dbraw/zinc/06/31/34/530063134.db2.gz STBZYLMEPCRDAV-LBPRGKRZSA-N 1 1 358.439 1.803 50 0 FDAAMO Cc1cc(C)n(C[C@H](C)NC(=O)c2cccc(-c3cc(N)nc(N)[nH+]3)c2)n1 ZINC000534591470 540386801 /nfs/dbraw/zinc/38/68/01/540386801.db2.gz UHZCMKNWYQSMGR-LBPRGKRZSA-N 1 1 365.441 1.601 50 0 FDAAMO COc1c(F)cc(C(=O)NCC2(CN3CC[NH+](C)CC3)CC2)cc1F ZINC000534660336 540396070 /nfs/dbraw/zinc/39/60/70/540396070.db2.gz KUHLKPUCWHFNSM-UHFFFAOYSA-N 1 1 353.413 1.731 50 0 FDAAMO O=C(NC1Cc2ccccc2C1)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000299759128 223083006 /nfs/dbraw/zinc/08/30/06/223083006.db2.gz ONKIADSZLIZQKX-SFHVURJKSA-N 1 1 362.495 1.169 50 0 FDAAMO Cc1nc(CNc2cc([C@@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)n(C)c1C ZINC000299771827 223089564 /nfs/dbraw/zinc/08/95/64/223089564.db2.gz VWVVNVKMGGLUPP-CYBMUJFWSA-N 1 1 358.446 1.124 50 0 FDAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCn3nc(CNS(C)(=O)=O)cc3C2)o1 ZINC000299788728 223097940 /nfs/dbraw/zinc/09/79/40/223097940.db2.gz XMLFAIMYOBQARW-ZDUSSCGKSA-N 1 1 366.487 1.843 50 0 FDAAMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000013071353 220056888 /nfs/dbraw/zinc/05/68/88/220056888.db2.gz QHPXNAPSXWFGEV-UHFFFAOYSA-N 1 1 369.487 1.616 50 0 FDAAMO Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@H+]2CCc2ccccc2)o1 ZINC000014976438 220138589 /nfs/dbraw/zinc/13/85/89/220138589.db2.gz SRTRTUIROSTAAX-IBGZPJMESA-N 1 1 369.465 1.980 50 0 FDAAMO Cc1ccc(CN(C)C(=O)C[C@H]2C(=O)NCC[N@@H+]2CCc2ccccc2)o1 ZINC000014976438 220138591 /nfs/dbraw/zinc/13/85/91/220138591.db2.gz SRTRTUIROSTAAX-IBGZPJMESA-N 1 1 369.465 1.980 50 0 FDAAMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000016484616 220184854 /nfs/dbraw/zinc/18/48/54/220184854.db2.gz DPAUDFIXTMDZIC-CYBMUJFWSA-N 1 1 369.487 1.758 50 0 FDAAMO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000016484616 220184856 /nfs/dbraw/zinc/18/48/56/220184856.db2.gz DPAUDFIXTMDZIC-CYBMUJFWSA-N 1 1 369.487 1.758 50 0 FDAAMO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000018250449 220230010 /nfs/dbraw/zinc/23/00/10/220230010.db2.gz SRBDRULTGBZTAB-ZDUSSCGKSA-N 1 1 370.236 1.823 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)c3nonc3C)CC2)CC1 ZINC000019228892 220242034 /nfs/dbraw/zinc/24/20/34/220242034.db2.gz BDGXJYMHDBGVRJ-UHFFFAOYSA-N 1 1 363.462 1.175 50 0 FDAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C)CC3)C2=O)cc1 ZINC000019372599 220253305 /nfs/dbraw/zinc/25/33/05/220253305.db2.gz UVBAFAQVSYASCV-KRWDZBQOSA-N 1 1 373.453 1.523 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)N3CCCCO3)c2)C1 ZINC000283717654 182258520 /nfs/dbraw/zinc/25/85/20/182258520.db2.gz UTLCBLYMIKKQPI-KRWDZBQOSA-N 1 1 360.458 1.621 50 0 FDAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000019632927 220280285 /nfs/dbraw/zinc/28/02/85/220280285.db2.gz RMHMFHUVIITRHF-UHFFFAOYSA-N 1 1 351.410 1.559 50 0 world FDAAMO O=C(c1cn(CCc2ccccc2)nn1)N1CCC([NH+]2CCOCC2)CC1 ZINC000019720935 220290886 /nfs/dbraw/zinc/29/08/86/220290886.db2.gz FNRURYALCLMWNN-UHFFFAOYSA-N 1 1 369.469 1.458 50 0 FDAAMO CCCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(CC)cc1 ZINC000019820897 220299168 /nfs/dbraw/zinc/29/91/68/220299168.db2.gz YNILANWCUMEALI-HOTGVXAUSA-N 1 1 359.513 1.578 50 0 FDAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000019841453 220301727 /nfs/dbraw/zinc/30/17/27/220301727.db2.gz DIHWMVXYGRDAFV-UHFFFAOYSA-N 1 1 365.430 1.807 50 0 FDAAMO CN1CCN([C@@H]2CC[N@@H+](Cc3cccc(-n4cccn4)c3)C[C@H]2O)CC1 ZINC000020235501 220321119 /nfs/dbraw/zinc/32/11/19/220321119.db2.gz XTVHQPKAEFCNSQ-WOJBJXKFSA-N 1 1 355.486 1.055 50 0 FDAAMO CCCn1c2ccccc2c2cnn(CC(=O)N3CC[NH+](C)CC3)c(=O)c21 ZINC000020557125 220332506 /nfs/dbraw/zinc/33/25/06/220332506.db2.gz YIDFUWJCNOAMFY-UHFFFAOYSA-N 1 1 367.453 1.535 50 0 FDAAMO O=C(c1cnc2sccn2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020767496 220340758 /nfs/dbraw/zinc/34/07/58/220340758.db2.gz CDNOAAMVSCEISU-UHFFFAOYSA-N 1 1 354.435 1.714 50 0 FDAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000021064657 220350594 /nfs/dbraw/zinc/35/05/94/220350594.db2.gz CSBYRSZKYOLFDC-IYBDPMFKSA-N 1 1 371.485 1.944 50 0 FDAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000021064657 220350598 /nfs/dbraw/zinc/35/05/98/220350598.db2.gz CSBYRSZKYOLFDC-IYBDPMFKSA-N 1 1 371.485 1.944 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C(=O)OC)c2N)cc1 ZINC000021652321 220361970 /nfs/dbraw/zinc/36/19/70/220361970.db2.gz RVXVKECHUUDWLY-OAHLLOKOSA-N 1 1 371.441 1.455 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)n1cnc2c3cccnc3sc2c1=O ZINC000021882262 220369608 /nfs/dbraw/zinc/36/96/08/220369608.db2.gz SDTCMEOOFAPHTF-CYBMUJFWSA-N 1 1 371.466 1.731 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)[NH+]1CCOCC1 ZINC000024981197 220470836 /nfs/dbraw/zinc/47/08/36/220470836.db2.gz BBZBDLPPKZQOON-HNNXBMFYSA-N 1 1 373.453 1.389 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000054950341 221056023 /nfs/dbraw/zinc/05/60/23/221056023.db2.gz JRHZZSILXVSDSG-KRWDZBQOSA-N 1 1 374.466 1.855 50 0 FDAAMO C[N@H+]1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccccc2)C1 ZINC000054950341 221056025 /nfs/dbraw/zinc/05/60/25/221056025.db2.gz JRHZZSILXVSDSG-KRWDZBQOSA-N 1 1 374.466 1.855 50 0 FDAAMO COC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000058177762 221103622 /nfs/dbraw/zinc/10/36/22/221103622.db2.gz MPDIBENOGAYWET-UYAOXDASSA-N 1 1 374.481 1.986 50 0 FDAAMO CN1N=C(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCC1=O ZINC000060355388 221130275 /nfs/dbraw/zinc/13/02/75/221130275.db2.gz FXRPRLVHBLRMGB-UHFFFAOYSA-N 1 1 356.470 1.762 50 0 FDAAMO CCCCS(=O)(=O)N1CCC(n2cc(C[NH+]3CCCC3)nn2)CC1 ZINC000063872523 221144422 /nfs/dbraw/zinc/14/44/22/221144422.db2.gz OXZZUIGRINDJAC-UHFFFAOYSA-N 1 1 355.508 1.641 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312312 221199090 /nfs/dbraw/zinc/19/90/90/221199090.db2.gz QSHVWGBEOWSLBJ-ZDUSSCGKSA-N 1 1 362.865 1.373 50 0 FDAAMO CC(=O)Oc1c(C)cc(C[N@H+]2CCC[C@H](C(=O)NCCCO)C2)cc1C ZINC000065433549 221218958 /nfs/dbraw/zinc/21/89/58/221218958.db2.gz SEMXNVUZLLXZDS-SFHVURJKSA-N 1 1 362.470 1.939 50 0 FDAAMO COc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c(OC)c1C ZINC000065507198 221228954 /nfs/dbraw/zinc/22/89/54/221228954.db2.gz OEMIEQVVFBNOGI-UHFFFAOYSA-N 1 1 370.453 1.828 50 0 FDAAMO NC(=O)C[NH+]1CCC2(CC1)NC(c1ccc(OC(F)(F)F)cc1)=NO2 ZINC000067317610 221252244 /nfs/dbraw/zinc/25/22/44/221252244.db2.gz KVFWOYIDKCYELY-UHFFFAOYSA-N 1 1 358.320 1.144 50 0 FDAAMO C[N@H+]1CC[C@](C)(CNC(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)C1 ZINC000067654143 221266464 /nfs/dbraw/zinc/26/64/64/221266464.db2.gz QRPARJCSEKDSHC-LJQANCHMSA-N 1 1 372.425 1.789 50 0 FDAAMO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](CC(N)=O)CC1 ZINC000067714668 221276407 /nfs/dbraw/zinc/27/64/07/221276407.db2.gz WPJWRURFZALOKD-UHFFFAOYSA-N 1 1 372.429 1.658 50 0 FDAAMO COc1ccc(CCNC(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000067727369 221277471 /nfs/dbraw/zinc/27/74/71/221277471.db2.gz IFUVHJAIGWXRIH-UHFFFAOYSA-N 1 1 360.502 1.659 50 0 FDAAMO COc1ccc(CCNC(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)cc1 ZINC000067727369 221277473 /nfs/dbraw/zinc/27/74/73/221277473.db2.gz IFUVHJAIGWXRIH-UHFFFAOYSA-N 1 1 360.502 1.659 50 0 FDAAMO COc1ccc(CCNC(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)cc1 ZINC000067727369 221277475 /nfs/dbraw/zinc/27/74/75/221277475.db2.gz IFUVHJAIGWXRIH-UHFFFAOYSA-N 1 1 360.502 1.659 50 0 FDAAMO Cc1cc(=O)n(CC[N@@H+]2CCc3onc(-c4ccccc4)c3C2)c(=O)[nH]1 ZINC000067675252 221269862 /nfs/dbraw/zinc/26/98/62/221269862.db2.gz FARBFGQYCRFVJG-UHFFFAOYSA-N 1 1 352.394 1.558 50 0 FDAAMO Cc1cc(=O)n(CC[N@H+]2CCc3onc(-c4ccccc4)c3C2)c(=O)[nH]1 ZINC000067675252 221269865 /nfs/dbraw/zinc/26/98/65/221269865.db2.gz FARBFGQYCRFVJG-UHFFFAOYSA-N 1 1 352.394 1.558 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C)C2 ZINC000067805472 221288402 /nfs/dbraw/zinc/28/84/02/221288402.db2.gz LGBBBFCJNDTDBA-INIZCTEOSA-N 1 1 359.474 1.116 50 0 FDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C)C2 ZINC000067805472 221288404 /nfs/dbraw/zinc/28/84/04/221288404.db2.gz LGBBBFCJNDTDBA-INIZCTEOSA-N 1 1 359.474 1.116 50 0 FDAAMO C[C@@H](C(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C)n1cnc2ccccc21 ZINC000067804880 221288889 /nfs/dbraw/zinc/28/88/89/221288889.db2.gz NXPJMOPPHAUHLK-HNNXBMFYSA-N 1 1 369.469 1.410 50 0 FDAAMO COc1cc2[nH]c(=O)c(CN(C)[C@H]3CC[N@@H+](C)C3)cc2c(OC)c1OC ZINC000067818744 221290050 /nfs/dbraw/zinc/29/00/50/221290050.db2.gz UHSINWZBIGTAKI-ZDUSSCGKSA-N 1 1 361.442 1.690 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@H+](C)[C@H]3CCN(C)C3)cc2c(OC)c1OC ZINC000067818744 221290052 /nfs/dbraw/zinc/29/00/52/221290052.db2.gz UHSINWZBIGTAKI-ZDUSSCGKSA-N 1 1 361.442 1.690 50 0 FDAAMO COc1cc2[nH]c(=O)c(C[N@@H+](C)[C@H]3CCN(C)C3)cc2c(OC)c1OC ZINC000067818744 221290054 /nfs/dbraw/zinc/29/00/54/221290054.db2.gz UHSINWZBIGTAKI-ZDUSSCGKSA-N 1 1 361.442 1.690 50 0 FDAAMO CC(C)c1nc(CNC(=O)c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1 ZINC000067756201 221282534 /nfs/dbraw/zinc/28/25/34/221282534.db2.gz QONXSTCYRVNYIE-UHFFFAOYSA-N 1 1 358.446 1.660 50 0 FDAAMO C[NH+]1CCN(c2cc(N3Cc4cnc(C(C)(C)C)nc4C3)nc(N)n2)CC1 ZINC000067856237 221296403 /nfs/dbraw/zinc/29/64/03/221296403.db2.gz WWXPWYMPKBFMDQ-UHFFFAOYSA-N 1 1 368.489 1.418 50 0 FDAAMO CC[C@H]1CN(C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)CC[C@@]1(C)O ZINC000067884308 221301761 /nfs/dbraw/zinc/30/17/61/221301761.db2.gz NAJIIDDRKULXHU-HNAYVOBHSA-N 1 1 361.490 1.160 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000069131653 221321538 /nfs/dbraw/zinc/32/15/38/221321538.db2.gz HISAZYYHWIPFOS-INIZCTEOSA-N 1 1 357.479 1.863 50 0 FDAAMO Cc1ccncc1C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071419040 221347569 /nfs/dbraw/zinc/34/75/69/221347569.db2.gz BNQIOBBWXHLNRJ-MRXNPFEDSA-N 1 1 370.497 1.985 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)NCc1cc2c(=O)n(CC)cc-2[nH]c1OC ZINC000071589467 221351857 /nfs/dbraw/zinc/35/18/57/221351857.db2.gz NHTORIHZEFHGQR-UHFFFAOYSA-N 1 1 357.414 1.141 50 0 FDAAMO Cc1ocnc1C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071746170 221357982 /nfs/dbraw/zinc/35/79/82/221357982.db2.gz YNBYEQPAKLGYCM-AWEZNQCLSA-N 1 1 360.458 1.578 50 0 FDAAMO NC(=O)C1CC[NH+](Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1 ZINC000071638972 221353687 /nfs/dbraw/zinc/35/36/87/221353687.db2.gz GDWXLOPVGWILJD-UHFFFAOYSA-N 1 1 361.471 1.329 50 0 FDAAMO CC(=O)N1CCc2c(nc(C)nc2NCC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000071707982 221355938 /nfs/dbraw/zinc/35/59/38/221355938.db2.gz FNGDLYIEHCJPCC-CQSZACIVSA-N 1 1 360.506 1.128 50 0 FDAAMO CCOC(=O)c1coc(N2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)n1 ZINC000071764709 221371011 /nfs/dbraw/zinc/37/10/11/221371011.db2.gz MQKGEYLUIYXQIH-IAGOWNOFSA-N 1 1 374.441 1.360 50 0 FDAAMO O=C(c1cc[nH]n1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764354 221371684 /nfs/dbraw/zinc/37/16/84/221371684.db2.gz IIJSBZHJOFOOOB-OAHLLOKOSA-N 1 1 359.474 1.349 50 0 FDAAMO O=C(c1ccn[nH]1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764354 221371686 /nfs/dbraw/zinc/37/16/86/221371686.db2.gz IIJSBZHJOFOOOB-OAHLLOKOSA-N 1 1 359.474 1.349 50 0 FDAAMO O=C(c1ccn[nH]1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071764354 221371689 /nfs/dbraw/zinc/37/16/89/221371689.db2.gz IIJSBZHJOFOOOB-OAHLLOKOSA-N 1 1 359.474 1.349 50 0 FDAAMO O=C(CO)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071775712 221375016 /nfs/dbraw/zinc/37/50/16/221375016.db2.gz AQVFOPFKQYECNC-GOSISDBHSA-N 1 1 373.497 1.041 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000071780033 221375956 /nfs/dbraw/zinc/37/59/56/221375956.db2.gz GGLXXZFRJMTTPV-HNNXBMFYSA-N 1 1 371.485 1.774 50 0 FDAAMO Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc2c1CC[N@@H+](CCO)C2 ZINC000071890391 221386339 /nfs/dbraw/zinc/38/63/39/221386339.db2.gz SMXJINRUODRLSP-CQSZACIVSA-N 1 1 371.485 1.700 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072154413 221432833 /nfs/dbraw/zinc/43/28/33/221432833.db2.gz VMAAIANLSMUXBL-QGZVFWFLSA-N 1 1 372.444 1.935 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCCN(c4cc(N)[nH+]cn4)C3)CCC2=O)cn1 ZINC000077378268 132182448 /nfs/dbraw/zinc/18/24/48/132182448.db2.gz XXHBZLGPCMVHFZ-IBGZPJMESA-N 1 1 367.457 1.566 50 0 FDAAMO CNc1cc[nH+]c(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 ZINC000091391060 132201215 /nfs/dbraw/zinc/20/12/15/132201215.db2.gz SJPVMANZLDDYCH-UHFFFAOYSA-N 1 1 367.457 1.532 50 0 FDAAMO C[N@H+]1CCN(Cc2cnc(N3CCCCC3)nc2)C[C@@]12CCNC(=O)CC2 ZINC000107421255 132241269 /nfs/dbraw/zinc/24/12/69/132241269.db2.gz BBHJTPHCVSOBAQ-HXUWFJFHSA-N 1 1 372.517 1.253 50 0 FDAAMO Cc1cc(N2CCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)nc(N)[nH+]1 ZINC000244840209 132291176 /nfs/dbraw/zinc/29/11/76/132291176.db2.gz UITJWGNWOWYJSU-MRXNPFEDSA-N 1 1 368.485 1.757 50 0 FDAAMO Cn1cc([C@H](Nc2nc(N3CCC(O)CC3)cc[nH+]2)[C@H]2C[C@@H](O)C2)cn1 ZINC000244852887 132291197 /nfs/dbraw/zinc/29/11/97/132291197.db2.gz VBDDKBJPHFJILJ-ISTRZQFTSA-N 1 1 358.446 1.095 50 0 FDAAMO CCCc1noc(CN(C)C(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)n1 ZINC000299787682 132299812 /nfs/dbraw/zinc/29/98/12/132299812.db2.gz ZDGMEOMJIBWWSM-UHFFFAOYSA-N 1 1 373.461 1.145 50 0 FDAAMO Cc1c[nH+]c(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1N ZINC000067674368 136137219 /nfs/dbraw/zinc/13/72/19/136137219.db2.gz PPAKTIHBENJRBN-ZDUSSCGKSA-N 1 1 351.414 1.625 50 0 FDAAMO CS(=O)(=O)NC1CCN(c2nc(C3CCCC3)nc3c2C[NH2+]C3)CC1 ZINC000072134495 136142315 /nfs/dbraw/zinc/14/23/15/136142315.db2.gz NZGJFBGNAJMZQA-UHFFFAOYSA-N 1 1 365.503 1.255 50 0 FDAAMO Nc1nc2nc[nH]c2c(N2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000072425676 136146495 /nfs/dbraw/zinc/14/64/95/136146495.db2.gz GINSEELOJZLVRF-AWEZNQCLSA-N 1 1 371.420 1.147 50 0 FDAAMO Nc1nc2nc[nH]c2c(N2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000072425676 136146496 /nfs/dbraw/zinc/14/64/96/136146496.db2.gz GINSEELOJZLVRF-AWEZNQCLSA-N 1 1 371.420 1.147 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1cc(N2CCOCC2)ncn1 ZINC000072463471 136148823 /nfs/dbraw/zinc/14/88/23/136148823.db2.gz RGIYKLLWMMLJEP-CQSZACIVSA-N 1 1 358.446 1.511 50 0 FDAAMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000069037934 172024402 /nfs/dbraw/zinc/02/44/02/172024402.db2.gz HPORPNGVALUHSZ-UHFFFAOYSA-N 1 1 352.866 1.692 50 0 FDAAMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000092771763 172305001 /nfs/dbraw/zinc/30/50/01/172305001.db2.gz BIYHJTVKFPAHHR-IAGOWNOFSA-N 1 1 365.499 1.191 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000091475208 221761824 /nfs/dbraw/zinc/76/18/24/221761824.db2.gz PFMYDXAFBCRFBN-NSHDSACASA-N 1 1 361.339 1.658 50 0 FDAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC000096104552 222023977 /nfs/dbraw/zinc/02/39/77/222023977.db2.gz KGHAKMWAAKLMEO-HNNXBMFYSA-N 1 1 358.891 1.950 50 0 FDAAMO COc1ccc(OCC2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CN(C)C4)CC2)cc1 ZINC000096180739 222069408 /nfs/dbraw/zinc/06/94/08/222069408.db2.gz NVKVIRKPCIGQTB-DYESRHJHSA-N 1 1 373.497 1.464 50 0 FDAAMO O=C(NCCc1cccc(F)c1)C1CC[NH+]([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000097137875 222163720 /nfs/dbraw/zinc/16/37/20/222163720.db2.gz OLZSLMGLXBQKJT-QGZVFWFLSA-N 1 1 368.474 1.384 50 0 FDAAMO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CCNC(=O)[C@@H]1Cc1cnc[nH]1 ZINC000097600942 222197227 /nfs/dbraw/zinc/19/72/27/222197227.db2.gz VIXONRZRIQEOHA-SFHVURJKSA-N 1 1 373.501 1.324 50 0 FDAAMO O=C(c1ccc(Cn2cccn2)cc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329670852 259106353 /nfs/dbraw/zinc/10/63/53/259106353.db2.gz RXMPDPAYAOMHHD-GOSISDBHSA-N 1 1 354.454 1.726 50 0 FDAAMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329691944 259107416 /nfs/dbraw/zinc/10/74/16/259107416.db2.gz DPCKTDXRHHJJMQ-MSOLQXFVSA-N 1 1 364.511 1.792 50 0 FDAAMO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccco1 ZINC000035374859 263398463 /nfs/dbraw/zinc/39/84/63/263398463.db2.gz JUBVDOBRUVSYHR-ROUUACIJSA-N 1 1 355.438 1.751 50 0 FDAAMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc2c(=O)[nH]nc1-2 ZINC000263587402 534303943 /nfs/dbraw/zinc/30/39/43/534303943.db2.gz GNDRNXYSUFZDFI-CQSZACIVSA-N 1 1 367.409 1.695 50 0 FDAAMO Nc1nonc1-n1nnc(CN2CCCCCC2)c1C[NH+]1CCCCCC1 ZINC000002294579 518240076 /nfs/dbraw/zinc/24/00/76/518240076.db2.gz HNYCNUQWKZJMTI-UHFFFAOYSA-N 1 1 374.493 1.985 50 0 FDAAMO Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NN1CC[NH+](C)CC1 ZINC000002777962 518249110 /nfs/dbraw/zinc/24/91/10/518249110.db2.gz JMTLUGIDYSXCOU-VIFPVBQESA-N 1 1 353.776 1.703 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000002953423 518255554 /nfs/dbraw/zinc/25/55/54/518255554.db2.gz DYDLHKBASLPSIX-IYBDPMFKSA-N 1 1 373.563 1.532 50 0 FDAAMO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000004438862 518297506 /nfs/dbraw/zinc/29/75/06/518297506.db2.gz XTUZIUKHJNOTCO-CYBMUJFWSA-N 1 1 369.343 1.535 50 0 FDAAMO O[C@@H](C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F ZINC000004389290 518297824 /nfs/dbraw/zinc/29/78/24/518297824.db2.gz QHWWTFUEEAUNIZ-JTQLQIEISA-N 1 1 358.286 1.931 50 0 FDAAMO O[C@@H](C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1)C(F)(F)F ZINC000004389290 518297829 /nfs/dbraw/zinc/29/78/29/518297829.db2.gz QHWWTFUEEAUNIZ-JTQLQIEISA-N 1 1 358.286 1.931 50 0 FDAAMO CCCCn1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004810112 518312668 /nfs/dbraw/zinc/31/26/68/518312668.db2.gz GBSIJVCCMKWTAN-KBPBESRZSA-N 1 1 361.490 1.712 50 0 FDAAMO C[NH+]1CCN(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=O)CC1 ZINC000004833136 518315591 /nfs/dbraw/zinc/31/55/91/518315591.db2.gz BJXVARISDRFAQH-SDNWHVSQSA-N 1 1 360.439 1.002 50 0 FDAAMO CCCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CCC)c(=O)n1C ZINC000005148191 518332268 /nfs/dbraw/zinc/33/22/68/518332268.db2.gz HXHDBVRNWDXVGE-UHFFFAOYSA-N 1 1 360.462 1.939 50 0 FDAAMO C/C=C/CN1[NH+]=C(C)Cn2c3c(nc21)n(C)c(=O)n(CCC(C)C)c3=O ZINC000009059643 518495493 /nfs/dbraw/zinc/49/54/93/518495493.db2.gz YSARIIDAFICLKB-VOTSOKGWSA-N 1 1 358.446 1.715 50 0 FDAAMO NC(=O)CCS(=O)(=O)CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000009337808 518502518 /nfs/dbraw/zinc/50/25/18/518502518.db2.gz LHDAIQMTZXYTSV-UHFFFAOYSA-N 1 1 352.500 1.621 50 0 FDAAMO CC1(C)CC(NC(=O)CNc2nc(Cl)nc3[nH]cnc32)CC(C)(C)[NH2+]1 ZINC000009546827 518510178 /nfs/dbraw/zinc/51/01/78/518510178.db2.gz OAHDKZRKQRFJCO-UHFFFAOYSA-N 1 1 365.869 1.844 50 0 FDAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCCc1cn2ccccc2n1 ZINC000011935607 518580570 /nfs/dbraw/zinc/58/05/70/518580570.db2.gz BUVUYZAQMPTYMY-QGZVFWFLSA-N 1 1 369.469 1.126 50 0 FDAAMO C[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(N4CCCCC4)cc3)C2=O)CC1 ZINC000019589968 518821402 /nfs/dbraw/zinc/82/14/02/518821402.db2.gz IPLCBLTWUNHPBG-GOSISDBHSA-N 1 1 356.470 1.556 50 0 FDAAMO C[C@@H]1CCc2sc3nc(N4CC[NH+](CCO)CC4)n4ncnc4c3c2C1 ZINC000020477965 518852107 /nfs/dbraw/zinc/85/21/07/518852107.db2.gz LRXRJCKEVIFXLW-GFCCVEGCSA-N 1 1 372.498 1.578 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938225 518887184 /nfs/dbraw/zinc/88/71/84/518887184.db2.gz NCHMWRQKCPEQGJ-SFHVURJKSA-N 1 1 372.469 1.450 50 0 FDAAMO CC(C)C[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCOCC1 ZINC000025254978 519048271 /nfs/dbraw/zinc/04/82/71/519048271.db2.gz FPLOQVUKSGMDIW-OAHLLOKOSA-N 1 1 372.469 1.329 50 0 FDAAMO CC(C)[C@@H](CNC(=O)CN1CSCC1=O)[N@H+]1CCc2ccccc2C1 ZINC000025535541 519069632 /nfs/dbraw/zinc/06/96/32/519069632.db2.gz FSOSCJGIPIWDJZ-QGZVFWFLSA-N 1 1 361.511 1.718 50 0 FDAAMO COc1ccc(CNC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000031663598 519452303 /nfs/dbraw/zinc/45/23/03/519452303.db2.gz JVQAJWOVVYWYNI-IBGZPJMESA-N 1 1 369.465 1.914 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(COc2c(=O)ccoc2C)no1 ZINC000031814651 519466291 /nfs/dbraw/zinc/46/62/91/519466291.db2.gz XSLHOAWGGARMTM-LBPRGKRZSA-N 1 1 362.386 1.124 50 0 FDAAMO Cc1cccc(N2CC[NH+](CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 ZINC000032816923 519541227 /nfs/dbraw/zinc/54/12/27/519541227.db2.gz PIQHJOSUXSOZGS-UHFFFAOYSA-N 1 1 364.449 1.820 50 0 FDAAMO COCCN(C[C@@H]1C[N@@H+](C(C)(C)CO)CCO1)C(=O)c1ccccc1 ZINC000034691549 519596439 /nfs/dbraw/zinc/59/64/39/519596439.db2.gz MLXSRTBPTCTQHV-QGZVFWFLSA-N 1 1 350.459 1.247 50 0 FDAAMO COCCN(C[C@@H]1C[N@H+](C(C)(C)CO)CCO1)C(=O)c1ccccc1 ZINC000034691549 519596445 /nfs/dbraw/zinc/59/64/45/519596445.db2.gz MLXSRTBPTCTQHV-QGZVFWFLSA-N 1 1 350.459 1.247 50 0 FDAAMO CCc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000034916348 519597176 /nfs/dbraw/zinc/59/71/76/519597176.db2.gz CUXFSZUBCWPRSD-QGZVFWFLSA-N 1 1 359.470 1.440 50 0 FDAAMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H](C1)O2 ZINC000034874374 519597494 /nfs/dbraw/zinc/59/74/94/519597494.db2.gz ZDOBEODZHJDKSC-HDICACEKSA-N 1 1 358.463 1.961 50 0 FDAAMO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H](C1)O2 ZINC000034874374 519597499 /nfs/dbraw/zinc/59/74/99/519597499.db2.gz ZDOBEODZHJDKSC-HDICACEKSA-N 1 1 358.463 1.961 50 0 FDAAMO Cc1cc(C)cc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000034917997 519599138 /nfs/dbraw/zinc/59/91/38/519599138.db2.gz XGVMIYBEZSVEDV-KRWDZBQOSA-N 1 1 359.470 1.495 50 0 FDAAMO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCOCC1 ZINC000035404098 519607007 /nfs/dbraw/zinc/60/70/07/519607007.db2.gz YOVGKDNFZISZAU-UHFFFAOYSA-N 1 1 352.438 1.820 50 0 FDAAMO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCOCC1 ZINC000035404098 519607013 /nfs/dbraw/zinc/60/70/13/519607013.db2.gz YOVGKDNFZISZAU-UHFFFAOYSA-N 1 1 352.438 1.820 50 0 FDAAMO COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035806794 519611227 /nfs/dbraw/zinc/61/12/27/519611227.db2.gz FFQIKUBCTCLQFD-IFXJQAMLSA-N 1 1 367.449 1.531 50 0 FDAAMO CC(C)N(C)S(=O)(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000040105650 519640495 /nfs/dbraw/zinc/64/04/95/519640495.db2.gz PQGYITJNERLCFL-GOSISDBHSA-N 1 1 368.547 1.540 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)CNC(=O)c2ccco2)c1 ZINC000040158570 519641872 /nfs/dbraw/zinc/64/18/72/519641872.db2.gz CXGDXPDGGSZKLC-HNNXBMFYSA-N 1 1 370.409 1.098 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)CNC(=O)c2ccco2)c1 ZINC000040158570 519641874 /nfs/dbraw/zinc/64/18/74/519641874.db2.gz CXGDXPDGGSZKLC-HNNXBMFYSA-N 1 1 370.409 1.098 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@H](O)COC[C@@H](C)c2ccccc2)CC1 ZINC000020512891 520953122 /nfs/dbraw/zinc/95/31/22/520953122.db2.gz MDUPUTCXHHCVHO-AEFFLSMTSA-N 1 1 350.459 1.942 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)NCCCC(=O)OC)Cc3ccccc3C2)CC1 ZINC000019795043 521672447 /nfs/dbraw/zinc/67/24/47/521672447.db2.gz RDWVSCSBPNUBTM-UHFFFAOYSA-N 1 1 373.497 1.231 50 0 FDAAMO Cc1ccc(F)cc1S(=O)(=O)NCCNc1cc(N(C)C)[nH+]c(C)n1 ZINC000044213709 521929003 /nfs/dbraw/zinc/92/90/03/521929003.db2.gz YEUXEWXPLWSHGR-UHFFFAOYSA-N 1 1 367.450 1.689 50 0 FDAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1ccccn1 ZINC000044919390 522018392 /nfs/dbraw/zinc/01/83/92/522018392.db2.gz CAUZXJZHVUCEKA-UHFFFAOYSA-N 1 1 353.426 1.548 50 0 FDAAMO CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CCc1nc2ccccc2[nH]1 ZINC000072156873 522183930 /nfs/dbraw/zinc/18/39/30/522183930.db2.gz BZLILEFWXRAJNL-QGZVFWFLSA-N 1 1 371.485 1.410 50 0 FDAAMO CCOCc1cc(C[N@@H+]2CCN[C@@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000072156485 522184397 /nfs/dbraw/zinc/18/43/97/522184397.db2.gz DBJZAMKARVVWMD-GOSISDBHSA-N 1 1 361.486 1.628 50 0 FDAAMO CCOCc1cc(C[N@H+]2CCN[C@@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000072156485 522184409 /nfs/dbraw/zinc/18/44/09/522184409.db2.gz DBJZAMKARVVWMD-GOSISDBHSA-N 1 1 361.486 1.628 50 0 FDAAMO Cc1ncc(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072162532 522188098 /nfs/dbraw/zinc/18/80/98/522188098.db2.gz OKJAOMUWEKOIMQ-QGZVFWFLSA-N 1 1 354.454 1.857 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)N1CCNC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000072165682 522191783 /nfs/dbraw/zinc/19/17/83/522191783.db2.gz FBZOMHMMVWNOLS-INIZCTEOSA-N 1 1 373.432 1.414 50 0 FDAAMO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)Nc2ccc(F)cc2)c(=O)[nH]c1C ZINC000072172928 522200862 /nfs/dbraw/zinc/20/08/62/522200862.db2.gz KNLBXLLEPQSEKS-MRXNPFEDSA-N 1 1 372.400 1.184 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c(=O)[nH]1 ZINC000072174023 522202524 /nfs/dbraw/zinc/20/25/24/522202524.db2.gz XXAWQMAJSLFFBA-INIZCTEOSA-N 1 1 372.444 1.849 50 0 FDAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c(=O)[nH]1 ZINC000072174023 522202535 /nfs/dbraw/zinc/20/25/35/522202535.db2.gz XXAWQMAJSLFFBA-INIZCTEOSA-N 1 1 372.444 1.849 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)cc1Cn1cncn1 ZINC000072418222 522249237 /nfs/dbraw/zinc/24/92/37/522249237.db2.gz AYSUETVLJBZUED-GOSISDBHSA-N 1 1 357.414 1.362 50 0 FDAAMO O=C([C@@H]1[NH2+]CCc2nc[nH]c21)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000072431595 522268465 /nfs/dbraw/zinc/26/84/65/522268465.db2.gz GNBDTXBFABZJOQ-MRXNPFEDSA-N 1 1 352.394 1.285 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072447927 522281450 /nfs/dbraw/zinc/28/14/50/522281450.db2.gz MMALFPDXJXDXNP-KRWDZBQOSA-N 1 1 370.501 1.546 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000072447926 522282219 /nfs/dbraw/zinc/28/22/19/522282219.db2.gz MMALFPDXJXDXNP-QGZVFWFLSA-N 1 1 370.501 1.546 50 0 FDAAMO Cc1ncc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)cn1 ZINC000072477483 522300342 /nfs/dbraw/zinc/30/03/42/522300342.db2.gz JPABXNZGWSJRSN-RBUKOAKNSA-N 1 1 357.502 1.598 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072478418 522303421 /nfs/dbraw/zinc/30/34/21/522303421.db2.gz MYYODMOPMHXVSP-UHFFFAOYSA-N 1 1 370.432 1.983 50 0 FDAAMO Cc1ccc2cccc(OCCNC(=O)[C@H]3[NH2+]CCc4nc[nH]c43)c2n1 ZINC000072478553 522303650 /nfs/dbraw/zinc/30/36/50/522303650.db2.gz XHQKABXVTWUNCB-SFHVURJKSA-N 1 1 351.410 1.648 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC(C)(C)C ZINC000241121823 522461992 /nfs/dbraw/zinc/46/19/92/522461992.db2.gz JEDCOIQHQUYVFY-HZPDHXFCSA-N 1 1 368.566 1.991 50 0 FDAAMO C[NH+]1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000075148787 522883982 /nfs/dbraw/zinc/88/39/82/522883982.db2.gz PQJWNCICBLSOFW-UHFFFAOYSA-N 1 1 351.200 1.943 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cnc21 ZINC000077319531 523293472 /nfs/dbraw/zinc/29/34/72/523293472.db2.gz PNAKWTDOEQUBGW-UHFFFAOYSA-N 1 1 364.453 1.822 50 0 FDAAMO CCn1c(N)nc2cc(C(=O)NCC[N@H+]3CCc4ccccc4C3)cnc21 ZINC000077319531 523293482 /nfs/dbraw/zinc/29/34/82/523293482.db2.gz PNAKWTDOEQUBGW-UHFFFAOYSA-N 1 1 364.453 1.822 50 0 FDAAMO Cc1cccc(OC2CCN(C(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC000077356082 523306355 /nfs/dbraw/zinc/30/63/55/523306355.db2.gz VIKMCIDHUMZVOJ-MRXNPFEDSA-N 1 1 359.470 1.562 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)CC[N@@H+]3CCCN(C)CC3)CC2=O)cc1 ZINC000077471670 523352926 /nfs/dbraw/zinc/35/29/26/523352926.db2.gz DYAUBMFWWHHTHI-UHFFFAOYSA-N 1 1 372.513 1.193 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)CCN3CCC[N@@H+](C)CC3)CC2=O)cc1 ZINC000077471670 523352932 /nfs/dbraw/zinc/35/29/32/523352932.db2.gz DYAUBMFWWHHTHI-UHFFFAOYSA-N 1 1 372.513 1.193 50 0 FDAAMO Cc1ccc(CN2CCN(C(=O)CCN3CCC[N@H+](C)CC3)CC2=O)cc1 ZINC000077471670 523352938 /nfs/dbraw/zinc/35/29/38/523352938.db2.gz DYAUBMFWWHHTHI-UHFFFAOYSA-N 1 1 372.513 1.193 50 0 FDAAMO COCCN(C(=O)c1cnc(-c2ccccn2)[nH]c1=O)C1CC[NH+](C)CC1 ZINC000091649729 523557840 /nfs/dbraw/zinc/55/78/40/523557840.db2.gz INQWFJYOKCZXEG-UHFFFAOYSA-N 1 1 371.441 1.427 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1CO ZINC000091603035 524061180 /nfs/dbraw/zinc/06/11/80/524061180.db2.gz DNGAZPRWIKTIBX-HUUCEWRRSA-N 1 1 355.429 1.139 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1CO ZINC000091603035 524061182 /nfs/dbraw/zinc/06/11/82/524061182.db2.gz DNGAZPRWIKTIBX-HUUCEWRRSA-N 1 1 355.429 1.139 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@@H]1CO ZINC000091585636 524061210 /nfs/dbraw/zinc/06/12/10/524061210.db2.gz LZQCDCJDDGBURX-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@@H]1CO ZINC000091585636 524061211 /nfs/dbraw/zinc/06/12/11/524061211.db2.gz LZQCDCJDDGBURX-ZIAGYGMSSA-N 1 1 371.884 1.653 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N(C)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000082098303 524208520 /nfs/dbraw/zinc/20/85/20/524208520.db2.gz GJAVXBZZBYQUBW-QGZVFWFLSA-N 1 1 353.470 1.980 50 0 FDAAMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468280 524359181 /nfs/dbraw/zinc/35/91/81/524359181.db2.gz KDCOXQPMYFXHCP-MRXNPFEDSA-N 1 1 351.516 1.723 50 0 FDAAMO C[C@@H]1C[N@H+](C)CCN1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468280 524359191 /nfs/dbraw/zinc/35/91/91/524359191.db2.gz KDCOXQPMYFXHCP-MRXNPFEDSA-N 1 1 351.516 1.723 50 0 FDAAMO C[C@@H]1C[N@@H+](C)CCN1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000085468280 524359197 /nfs/dbraw/zinc/35/91/97/524359197.db2.gz KDCOXQPMYFXHCP-MRXNPFEDSA-N 1 1 351.516 1.723 50 0 FDAAMO CN(C)c1nnc(-c2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)o1 ZINC000089382521 524493995 /nfs/dbraw/zinc/49/39/95/524493995.db2.gz HUAGVEHKUQRGSL-OAHLLOKOSA-N 1 1 373.461 1.170 50 0 FDAAMO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]2C1 ZINC000091410863 524699490 /nfs/dbraw/zinc/69/94/90/524699490.db2.gz XDJZGERZTUTNBH-AUUYWEPGSA-N 1 1 363.506 1.648 50 0 FDAAMO CN(C)C(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]2C1 ZINC000091410863 524699498 /nfs/dbraw/zinc/69/94/98/524699498.db2.gz XDJZGERZTUTNBH-AUUYWEPGSA-N 1 1 363.506 1.648 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C[C@@H]1CO ZINC000091416773 524700443 /nfs/dbraw/zinc/70/04/43/524700443.db2.gz WFHOKNULFMOBAX-HUUCEWRRSA-N 1 1 360.433 1.848 50 0 FDAAMO CC[N@H+](C)C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@@H]1CO ZINC000091416773 524700455 /nfs/dbraw/zinc/70/04/55/524700455.db2.gz WFHOKNULFMOBAX-HUUCEWRRSA-N 1 1 360.433 1.848 50 0 FDAAMO CC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C[C@@H]1CO ZINC000091416773 524700465 /nfs/dbraw/zinc/70/04/65/524700465.db2.gz WFHOKNULFMOBAX-HUUCEWRRSA-N 1 1 360.433 1.848 50 0 FDAAMO C[N@H+]1CCN(C(=O)NCc2ccc(Cl)cc2)C[C@@]12CCNC(=O)CC2 ZINC000091444707 524706132 /nfs/dbraw/zinc/70/61/32/524706132.db2.gz GCFGUGYQJXYVEK-GOSISDBHSA-N 1 1 364.877 1.836 50 0 FDAAMO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000091587304 524733256 /nfs/dbraw/zinc/73/32/56/524733256.db2.gz CTXYXERGRVUOLS-UHFFFAOYSA-N 1 1 361.471 1.114 50 0 FDAAMO C/C(=C\c1ccco1)C[N@@H+]1C[C@H](NS(=O)(=O)N(C)C)[C@@H](C2CC2)C1 ZINC000091595948 524735587 /nfs/dbraw/zinc/73/55/87/524735587.db2.gz VBOJMUMMCMNOEY-FIRJTHROSA-N 1 1 353.488 1.789 50 0 FDAAMO Cc1cc(C)c(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cn1 ZINC000091782071 524783377 /nfs/dbraw/zinc/78/33/77/524783377.db2.gz PSEDLBJEQXGNQR-QZTJIDSGSA-N 1 1 360.502 1.016 50 0 FDAAMO Cc1cc(C)c(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cn1 ZINC000091782071 524783389 /nfs/dbraw/zinc/78/33/89/524783389.db2.gz PSEDLBJEQXGNQR-QZTJIDSGSA-N 1 1 360.502 1.016 50 0 FDAAMO Cc1cc(C)c(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cn1 ZINC000091782071 524783402 /nfs/dbraw/zinc/78/34/02/524783402.db2.gz PSEDLBJEQXGNQR-QZTJIDSGSA-N 1 1 360.502 1.016 50 0 FDAAMO CCCNc1ncc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000091818596 524791484 /nfs/dbraw/zinc/79/14/84/524791484.db2.gz LOEKTIFRNXRNAN-IBGZPJMESA-N 1 1 360.506 1.427 50 0 FDAAMO CCOc1ccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000091951468 524816411 /nfs/dbraw/zinc/81/64/11/524816411.db2.gz RYDSTHXCVDFXBX-HUUCEWRRSA-N 1 1 352.431 1.081 50 0 FDAAMO Cc1ncc(CN2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)cn1 ZINC000091965731 524820524 /nfs/dbraw/zinc/82/05/24/524820524.db2.gz ZIMNQQZQVXJYOP-UHFFFAOYSA-N 1 1 359.518 1.941 50 0 FDAAMO Cc1cc(F)cc(C[N@H+]2C[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](C3CC3)C2)c1 ZINC000092002202 524827529 /nfs/dbraw/zinc/82/75/29/524827529.db2.gz ZMZNIQACEWEELI-SJORKVTESA-N 1 1 359.445 1.726 50 0 FDAAMO COC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000092003259 524828593 /nfs/dbraw/zinc/82/85/93/524828593.db2.gz VOHMJAJVZNXJMO-ZWKOTPCHSA-N 1 1 359.470 1.898 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000092037472 524834390 /nfs/dbraw/zinc/83/43/90/524834390.db2.gz GTORJOXLUBPDHC-NSHDSACASA-N 1 1 361.339 1.658 50 0 FDAAMO CN1CC[C@@]2(CN(C(=O)c3ccc4c(c3)OCO4)CC[N@H+]2C)CCC1=O ZINC000092037362 524834592 /nfs/dbraw/zinc/83/45/92/524834592.db2.gz HHHLGESBVSFMOT-LJQANCHMSA-N 1 1 359.426 1.184 50 0 FDAAMO CC(C)c1ncc(CN2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cn1 ZINC000092076972 524844479 /nfs/dbraw/zinc/84/44/79/524844479.db2.gz GARKBCICGWILRI-UKBAYJJMSA-N 1 1 362.518 1.750 50 0 FDAAMO CC(C)c1ncc(C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cn1 ZINC000092076972 524844490 /nfs/dbraw/zinc/84/44/90/524844490.db2.gz GARKBCICGWILRI-UKBAYJJMSA-N 1 1 362.518 1.750 50 0 FDAAMO CC(C)c1ncc(C[N@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cn1 ZINC000092076972 524844505 /nfs/dbraw/zinc/84/45/05/524844505.db2.gz GARKBCICGWILRI-UKBAYJJMSA-N 1 1 362.518 1.750 50 0 FDAAMO C[N@@H+]1CCN(C(=O)C(=O)c2ccco2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000095355042 525028824 /nfs/dbraw/zinc/02/88/24/525028824.db2.gz CYPQZVQRHWUMIC-HXUWFJFHSA-N 1 1 373.453 1.398 50 0 FDAAMO C[N@H+]1CCN(C(=O)C(=O)c2ccco2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000095355042 525028836 /nfs/dbraw/zinc/02/88/36/525028836.db2.gz CYPQZVQRHWUMIC-HXUWFJFHSA-N 1 1 373.453 1.398 50 0 FDAAMO CC[N@H+]1CCC[C@@](C)(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000095355330 525029062 /nfs/dbraw/zinc/02/90/62/525029062.db2.gz SKHDXYFQFFSUFA-QGZVFWFLSA-N 1 1 353.488 1.115 50 0 FDAAMO Cc1nn(C)c(C)c1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095360198 525033800 /nfs/dbraw/zinc/03/38/00/525033800.db2.gz GVAVKNRXWZEENG-QUCCMNQESA-N 1 1 363.550 1.247 50 0 FDAAMO COc1cccc(-c2cc(-c3nc(CN4CC[NH+](C)CC4)no3)n[nH]2)c1 ZINC000095374561 525046627 /nfs/dbraw/zinc/04/66/27/525046627.db2.gz UVWRWYWQGJXMGC-UHFFFAOYSA-N 1 1 354.414 1.883 50 0 FDAAMO Cc1nc(C)c(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)s1 ZINC000095375335 525049156 /nfs/dbraw/zinc/04/91/56/525049156.db2.gz PUPOKJKBZKIGOC-NOXHYTERSA-N 1 1 367.515 1.550 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC(=O)N2CCOCC2)C3)cc1 ZINC000095378046 525052542 /nfs/dbraw/zinc/05/25/42/525052542.db2.gz OMUQLSGOQRKINT-RBUKOAKNSA-N 1 1 373.497 1.450 50 0 FDAAMO Cc1cc(C)n(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)c(=O)n1 ZINC000095380419 525054930 /nfs/dbraw/zinc/05/49/30/525054930.db2.gz WDGOTQIDTZJQDR-MRXNPFEDSA-N 1 1 358.442 1.482 50 0 FDAAMO COCCn1c2ccc(C(=O)OC)cc2n(C[C@@H]2CCCC[N@H+]2C)c1=O ZINC000095384597 525056492 /nfs/dbraw/zinc/05/64/92/525056492.db2.gz BTVMSCDHJONYDA-HNNXBMFYSA-N 1 1 361.442 1.720 50 0 FDAAMO COc1ccc(-c2n[nH]c(C)c2CC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000095476015 525075299 /nfs/dbraw/zinc/07/52/99/525075299.db2.gz MOOOQTZVIWSRAY-UHFFFAOYSA-N 1 1 372.469 1.775 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000095496525 525081342 /nfs/dbraw/zinc/08/13/42/525081342.db2.gz PKILICGCZPTZTA-LJQANCHMSA-N 1 1 372.513 1.308 50 0 FDAAMO O=C(CSc1ccccn1)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095522124 525099093 /nfs/dbraw/zinc/09/90/93/525099093.db2.gz XUHOPWUEQNBVAF-KRWDZBQOSA-N 1 1 357.479 1.879 50 0 FDAAMO O=C(CSc1ccccn1)N1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095522124 525099096 /nfs/dbraw/zinc/09/90/96/525099096.db2.gz XUHOPWUEQNBVAF-KRWDZBQOSA-N 1 1 357.479 1.879 50 0 FDAAMO CN(Cc1ccc(-n2cccn2)cc1)c1nc(N(C)C[C@H](O)CO)cc[nH+]1 ZINC000095523485 525100642 /nfs/dbraw/zinc/10/06/42/525100642.db2.gz AWSBOXMYDKHCRB-KRWDZBQOSA-N 1 1 368.441 1.088 50 0 FDAAMO O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095529215 525104938 /nfs/dbraw/zinc/10/49/38/525104938.db2.gz VJUHZEQKEYDPDM-HZPDHXFCSA-N 1 1 355.438 1.927 50 0 FDAAMO O=C(Cn1nc2ccccc2n1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095529837 525105745 /nfs/dbraw/zinc/10/57/45/525105745.db2.gz GYAHMCXKRCREHS-QGZVFWFLSA-N 1 1 365.437 1.137 50 0 FDAAMO Cc1nn(C)c(C)c1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096008249 525121216 /nfs/dbraw/zinc/12/12/16/525121216.db2.gz BTAJEMNOMFRLNQ-GOSISDBHSA-N 1 1 356.470 1.924 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2F)C[N@@H+]1C ZINC000096162835 525144810 /nfs/dbraw/zinc/14/48/10/525144810.db2.gz BVMGJOCCWFMJGN-HIFRSBDPSA-N 1 1 369.412 1.401 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)COc2ccc(F)cc2F)C[N@H+]1C ZINC000096162835 525144814 /nfs/dbraw/zinc/14/48/14/525144814.db2.gz BVMGJOCCWFMJGN-HIFRSBDPSA-N 1 1 369.412 1.401 50 0 FDAAMO CSc1ccc(CC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)cc1 ZINC000020454628 525982670 /nfs/dbraw/zinc/98/26/70/525982670.db2.gz DHECDKRTEZLFRA-QZTJIDSGSA-N 1 1 363.527 1.160 50 0 FDAAMO CC(C)N(C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000109042854 526062854 /nfs/dbraw/zinc/06/28/54/526062854.db2.gz FVRRPTPLNZVXQS-KGLIPLIRSA-N 1 1 370.494 1.927 50 0 FDAAMO O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000091535687 526455874 /nfs/dbraw/zinc/45/58/74/526455874.db2.gz UALJTHPWKIKLGN-QGZVFWFLSA-N 1 1 370.497 1.907 50 0 FDAAMO O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000238937025 526553366 /nfs/dbraw/zinc/55/33/66/526553366.db2.gz SVFDNDXJPQFNKF-WGSAOQKQSA-N 1 1 368.485 1.824 50 0 FDAAMO O=C(CN1C(=O)COc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020688801 526710097 /nfs/dbraw/zinc/71/00/97/526710097.db2.gz FQLHYKRTYGDRMQ-UHFFFAOYSA-N 1 1 365.433 1.756 50 0 FDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299792971 526908813 /nfs/dbraw/zinc/90/88/13/526908813.db2.gz HUGLMFUHXLKMIG-ZIAGYGMSSA-N 1 1 373.457 1.513 50 0 FDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299792971 526908816 /nfs/dbraw/zinc/90/88/16/526908816.db2.gz HUGLMFUHXLKMIG-ZIAGYGMSSA-N 1 1 373.457 1.513 50 0 FDAAMO O=C(COc1ccc(Cl)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091602704 526952971 /nfs/dbraw/zinc/95/29/71/526952971.db2.gz VIFFECSUHKMXBN-HUUCEWRRSA-N 1 1 368.861 1.118 50 0 FDAAMO O=C1N(CCO)CCC[C@@]12CC[N@@H+](Cc1cccc(N3CCOCC3)c1)C2 ZINC000091562942 527038335 /nfs/dbraw/zinc/03/83/35/527038335.db2.gz JEWBOGRYKXXCBL-NRFANRHFSA-N 1 1 373.497 1.330 50 0 FDAAMO CCCn1nccc1C(=O)NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1 ZINC000299766012 528885130 /nfs/dbraw/zinc/88/51/30/528885130.db2.gz ANJABGGTRWOQJQ-UHFFFAOYSA-N 1 1 368.503 1.065 50 0 FDAAMO CC[C@@H]1c2cccn2CCN1C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000077339964 535965014 /nfs/dbraw/zinc/96/50/14/535965014.db2.gz KTLDLWSQXAYILX-QGZVFWFLSA-N 1 1 368.485 1.945 50 0 FDAAMO COc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(N)n1 ZINC000071764255 536824131 /nfs/dbraw/zinc/82/41/31/536824131.db2.gz WRAANZFEZRNRDC-CYBMUJFWSA-N 1 1 374.489 1.027 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(Cl)c1 ZINC000248571751 537193459 /nfs/dbraw/zinc/19/34/59/537193459.db2.gz CUBVSWJWVSENGU-KGLIPLIRSA-N 1 1 369.893 1.988 50 0 FDAAMO O[C@@H]1C[C@H]2C[N@H+](Cc3ccccc3OCCCn3ccnc3)C[C@H]2C[C@@H]1O ZINC000216009361 537443783 /nfs/dbraw/zinc/44/37/83/537443783.db2.gz HVFVSUFCFDDXLW-JVSBHGNQSA-N 1 1 371.481 1.916 50 0 FDAAMO O[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1N1CCOCC1 ZINC000216280880 537449546 /nfs/dbraw/zinc/44/95/46/537449546.db2.gz LUFQQRJSABCCJC-SFTDATJTSA-N 1 1 369.465 1.538 50 0 FDAAMO CN(C)C(=O)C[C@H](O)c1cc2n(n1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000221194251 537495186 /nfs/dbraw/zinc/49/51/86/537495186.db2.gz XSSSXCBGETZHAK-AIADIJKESA-N 1 1 354.454 1.924 50 0 FDAAMO CN(C)C(=O)C[C@H](O)c1cc2n(n1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC000221194251 537495194 /nfs/dbraw/zinc/49/51/94/537495194.db2.gz XSSSXCBGETZHAK-AIADIJKESA-N 1 1 354.454 1.924 50 0 FDAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000222778647 537513665 /nfs/dbraw/zinc/51/36/65/537513665.db2.gz OUWGYPKIGFYJSU-QGZVFWFLSA-N 1 1 370.453 1.028 50 0 FDAAMO Cc1cc(=O)[nH]c(CCNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000222778647 537513671 /nfs/dbraw/zinc/51/36/71/537513671.db2.gz OUWGYPKIGFYJSU-QGZVFWFLSA-N 1 1 370.453 1.028 50 0 FDAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@H]3NC2=O)cc1 ZINC000239425905 537644920 /nfs/dbraw/zinc/64/49/20/537644920.db2.gz VLIXPVZDBZWYJY-OAGGEKHMSA-N 1 1 359.426 1.591 50 0 FDAAMO C[N@@H+](CCC(=O)Nc1nnc(C2CC2)s1)CC1(CO)CCOCC1 ZINC000244724539 537651430 /nfs/dbraw/zinc/65/14/30/537651430.db2.gz MWAXBVWPRZVTGD-UHFFFAOYSA-N 1 1 354.476 1.465 50 0 FDAAMO Cc1nc(-c2ccc(CNC(=O)C[C@H]3C(=O)NCC[N@H+]3C(C)C)cc2)no1 ZINC000244828558 537653516 /nfs/dbraw/zinc/65/35/16/537653516.db2.gz TYJQCSDCORUWHB-INIZCTEOSA-N 1 1 371.441 1.260 50 0 FDAAMO Cc1nc(-c2ccc(CNC(=O)C[C@H]3C(=O)NCC[N@@H+]3C(C)C)cc2)no1 ZINC000244828558 537653518 /nfs/dbraw/zinc/65/35/18/537653518.db2.gz TYJQCSDCORUWHB-INIZCTEOSA-N 1 1 371.441 1.260 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+](C)C[C@H]1CCCO1 ZINC000245225240 537655432 /nfs/dbraw/zinc/65/54/32/537655432.db2.gz QCUOVCIRUIXJKC-UKRRQHHQSA-N 1 1 369.487 1.375 50 0 FDAAMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+](C)C[C@H]1CCCO1 ZINC000245225240 537655433 /nfs/dbraw/zinc/65/54/33/537655433.db2.gz QCUOVCIRUIXJKC-UKRRQHHQSA-N 1 1 369.487 1.375 50 0 FDAAMO CN(Cc1ncc[nH]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000633187565 558270887 /nfs/dbraw/zinc/27/08/87/558270887.db2.gz GFTKVKFXMREMNZ-QGZVFWFLSA-N 1 1 357.458 1.842 50 0 FDAAMO Cc1cccc(Cl)c1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000416391703 570842238 /nfs/dbraw/zinc/84/22/38/570842238.db2.gz SWMPHPIBDOYULL-CYBMUJFWSA-N 1 1 373.906 1.514 50 0 FDAAMO CC(=O)N1CCC(NC(=O)CN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000108057031 570902815 /nfs/dbraw/zinc/90/28/15/570902815.db2.gz NYQGEXHJCFAIKV-IBGZPJMESA-N 1 1 358.486 1.102 50 0 FDAAMO CC(=O)N1CCC(NC(=O)CN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000108057031 570902816 /nfs/dbraw/zinc/90/28/16/570902816.db2.gz NYQGEXHJCFAIKV-IBGZPJMESA-N 1 1 358.486 1.102 50 0 FDAAMO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)NC(=O)Nc1ccccc1 ZINC000048375325 570954118 /nfs/dbraw/zinc/95/41/18/570954118.db2.gz KCGJEKAYNXTFHP-IRXDYDNUSA-N 1 1 361.442 1.995 50 0 FDAAMO Cc1nc([C@H]2OCC[C@H]2C[NH2+]Cc2cnnn2Cc2ccccc2)n[nH]1 ZINC000685940041 571099409 /nfs/dbraw/zinc/09/94/09/571099409.db2.gz CFOGUCUGUHDMJS-RDJZCZTQSA-N 1 1 353.430 1.620 50 0 FDAAMO COc1cc(C)ccc1OCC[N@H+]1CCC[C@H](c2nnc(CO)n2C)C1 ZINC000252490562 571133090 /nfs/dbraw/zinc/13/30/90/571133090.db2.gz KWXQIEQAYRMMMT-HNNXBMFYSA-N 1 1 360.458 1.883 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)CCc3csc(N)n3)cc2C1 ZINC000426690291 571136698 /nfs/dbraw/zinc/13/66/98/571136698.db2.gz LVMZHTJREHTQFH-UHFFFAOYSA-N 1 1 362.503 1.787 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CCNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)n1 ZINC000426658468 571138088 /nfs/dbraw/zinc/13/80/88/571138088.db2.gz QWYIKOVVRLVVFC-SNVBAGLBSA-N 1 1 368.363 1.756 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2F)[C@H](O)C1 ZINC000426370484 571216165 /nfs/dbraw/zinc/21/61/65/571216165.db2.gz MNNHSZGVTHJLPV-QZTJIDSGSA-N 1 1 361.417 1.725 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2F)[C@H](O)C1 ZINC000426370484 571216167 /nfs/dbraw/zinc/21/61/67/571216167.db2.gz MNNHSZGVTHJLPV-QZTJIDSGSA-N 1 1 361.417 1.725 50 0 FDAAMO C[C@@H](Cc1ccsc1)NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000426401568 571220365 /nfs/dbraw/zinc/22/03/65/571220365.db2.gz CPLBPUANFCBDQY-AWEZNQCLSA-N 1 1 364.515 1.675 50 0 FDAAMO CCc1ccccc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000426425152 571223996 /nfs/dbraw/zinc/22/39/96/571223996.db2.gz FSYPBBCBKXCSQT-LJQANCHMSA-N 1 1 374.529 1.927 50 0 FDAAMO CN(Cc1[nH]nc2c1CCC2)C(=O)[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000426534044 571230581 /nfs/dbraw/zinc/23/05/81/571230581.db2.gz KLRNIQNCCUVLCG-SFHVURJKSA-N 1 1 356.426 1.888 50 0 FDAAMO Cc1cc(NC(=O)NC[C@@H]2COCC[N@H+](C)C2)ccc1N1CCCC1=O ZINC000426618070 571233324 /nfs/dbraw/zinc/23/33/24/571233324.db2.gz DUYKVTTTYSDSHB-HNNXBMFYSA-N 1 1 360.458 1.822 50 0 FDAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)NCCCN1CCCC1=O ZINC000426633792 571234006 /nfs/dbraw/zinc/23/40/06/571234006.db2.gz FOBUGZIVXLXVAH-SFHVURJKSA-N 1 1 358.486 1.697 50 0 FDAAMO OCCNc1nc(NCc2ccnc3ccccc23)cc([C@@H]2CCOC2)[nH+]1 ZINC000426693764 571235624 /nfs/dbraw/zinc/23/56/24/571235624.db2.gz OGNDKDDAFTUCPF-OAHLLOKOSA-N 1 1 365.437 1.389 50 0 FDAAMO O=C(Cn1cccc1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670461396 571356818 /nfs/dbraw/zinc/35/68/18/571356818.db2.gz KKMOKEVNXJPSDS-SGDIKTSBSA-N 1 1 350.466 1.172 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c(C)cc1Cl ZINC000670465623 571358564 /nfs/dbraw/zinc/35/85/64/571358564.db2.gz LJCYIIDDMUMBAS-AWEZNQCLSA-N 1 1 360.907 1.939 50 0 FDAAMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](CO)C2)c(C)cc1Cl ZINC000670465623 571358565 /nfs/dbraw/zinc/35/85/65/571358565.db2.gz LJCYIIDDMUMBAS-AWEZNQCLSA-N 1 1 360.907 1.939 50 0 FDAAMO Cc1nnc(SCC(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)s1 ZINC000011879648 670608904 /nfs/dbraw/zinc/60/89/04/670608904.db2.gz SBTDUEHUZRLLJQ-ZDUSSCGKSA-N 1 1 369.560 1.613 50 0 FDAAMO Cc1nnc(SCC(=O)N[C@H]2CCC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000011879648 670608907 /nfs/dbraw/zinc/60/89/07/670608907.db2.gz SBTDUEHUZRLLJQ-ZDUSSCGKSA-N 1 1 369.560 1.613 50 0 FDAAMO CN(C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)NC1CCCCC1 ZINC000169790931 672042740 /nfs/dbraw/zinc/04/27/40/672042740.db2.gz MKALBQHKIRSKRG-CRAIPNDOSA-N 1 1 352.523 1.659 50 0 FDAAMO CN(C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)NC1CCCCC1 ZINC000169790931 672042742 /nfs/dbraw/zinc/04/27/42/672042742.db2.gz MKALBQHKIRSKRG-CRAIPNDOSA-N 1 1 352.523 1.659 50 0 FDAAMO Cc1c(F)cccc1S(=O)(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000173175533 672077587 /nfs/dbraw/zinc/07/75/87/672077587.db2.gz MXAJAJDJNGARKT-UHFFFAOYSA-N 1 1 356.463 1.867 50 0 FDAAMO O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[N@H+](C2CCC2)CC1 ZINC000179565967 672162148 /nfs/dbraw/zinc/16/21/48/672162148.db2.gz YYBDISUAYVWEQU-UHFFFAOYSA-N 1 1 352.456 1.707 50 0 FDAAMO CC(C)CN1C[C@H](OCc2cccc(F)c2)C[N@@H+]([C@H](C)CO)CC1=O ZINC000248262893 672531725 /nfs/dbraw/zinc/53/17/25/672531725.db2.gz WVHVMRQHOUPREX-CRAIPNDOSA-N 1 1 352.450 1.892 50 0 FDAAMO CC(C)CN1C[C@H](OCc2cccc(F)c2)C[N@H+]([C@H](C)CO)CC1=O ZINC000248262893 672531726 /nfs/dbraw/zinc/53/17/26/672531726.db2.gz WVHVMRQHOUPREX-CRAIPNDOSA-N 1 1 352.450 1.892 50 0 FDAAMO C[C@H]1CN(C(=O)NC2CCC(CS(C)(=O)=O)CC2)CC[N@H+](C2CC2)C1 ZINC000334099647 676780436 /nfs/dbraw/zinc/78/04/36/676780436.db2.gz VKTNZBDGHKCKRQ-QQFBHYJXSA-N 1 1 371.547 1.716 50 0 FDAAMO C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC[N@H+](C2CCC2)C1 ZINC000293778054 791370942 /nfs/dbraw/zinc/37/09/42/791370942.db2.gz VVCVVROPEGPYLV-CYBMUJFWSA-N 1 1 355.438 1.859 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)C1CCCC1)CC2 ZINC000257178089 793857439 /nfs/dbraw/zinc/85/74/39/793857439.db2.gz FSSVBVLUWJWMGP-KRWDZBQOSA-N 1 1 363.502 1.348 50 0 FDAAMO CC[N@H+]1CC[C@@H](c2nnc3n2CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)C1 ZINC000257189702 794006702 /nfs/dbraw/zinc/00/67/02/794006702.db2.gz JVFFCLNBCXVIIT-QGZVFWFLSA-N 1 1 369.469 1.844 50 0 FDAAMO CC[NH+]1CC[C@@H](c2nnc3n2CC[N@@H+](Cc2cccc(C(=O)[O-])c2)CC3)C1 ZINC000257189702 794006712 /nfs/dbraw/zinc/00/67/12/794006712.db2.gz JVFFCLNBCXVIIT-QGZVFWFLSA-N 1 1 369.469 1.844 50 0 FDAAMO Cc1ccsc1C[NH+]1CCC2(CC1)N[C@H](C(=O)N(C)C)Cc1nc[nH]c12 ZINC000675015053 795226859 /nfs/dbraw/zinc/22/68/59/795226859.db2.gz SZSBGTOAOLXCFQ-HNNXBMFYSA-N 1 1 373.526 1.873 50 0 FDAAMO CCn1cc(C[N@H+]2CCc3c(C(N)=O)nc(-c4ccccc4)n3CC2)cn1 ZINC000675023252 795243712 /nfs/dbraw/zinc/24/37/12/795243712.db2.gz UNFCYBSDXSFSCN-UHFFFAOYSA-N 1 1 364.453 1.924 50 0 FDAAMO CCn1cc(C[N@@H+]2CCc3c(C(N)=O)nc(-c4ccccc4)n3CC2)cn1 ZINC000675023252 795243717 /nfs/dbraw/zinc/24/37/17/795243717.db2.gz UNFCYBSDXSFSCN-UHFFFAOYSA-N 1 1 364.453 1.924 50 0 FDAAMO COc1ccccc1CNC(=O)CC[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000252479552 810449829 /nfs/dbraw/zinc/44/98/29/810449829.db2.gz BHKUFUKEBREPST-UHFFFAOYSA-N 1 1 370.453 1.488 50 0 FDAAMO Cc1ncc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)n1C ZINC000426602548 811023687 /nfs/dbraw/zinc/02/36/87/811023687.db2.gz SDKPWNBPJVLMHQ-INIZCTEOSA-N 1 1 373.505 1.069 50 0 FDAAMO CCOc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)cc1 ZINC000257192018 864697994 /nfs/dbraw/zinc/69/79/94/864697994.db2.gz QDTMOEMLIAXLIB-MAUKXSAKSA-N 1 1 356.426 1.098 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)cc1 ZINC000257192018 864697998 /nfs/dbraw/zinc/69/79/98/864697998.db2.gz QDTMOEMLIAXLIB-MAUKXSAKSA-N 1 1 356.426 1.098 50 0 FDAAMO CN(CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)C1)Cc1cccnc1 ZINC000012434496 881960646 /nfs/dbraw/zinc/96/06/46/881960646.db2.gz UGEXDCNQHHYAHT-IBGZPJMESA-N 1 1 353.470 1.689 50 0 FDAAMO CN(CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)C1)Cc1cccnc1 ZINC000012434496 881960653 /nfs/dbraw/zinc/96/06/53/881960653.db2.gz UGEXDCNQHHYAHT-IBGZPJMESA-N 1 1 353.470 1.689 50 0 FDAAMO CCc1ccc(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCC(C)C)cc1 ZINC000012053932 873540458 /nfs/dbraw/zinc/54/04/58/873540458.db2.gz AKORAKRZXGAMNH-MSOLQXFVSA-N 1 1 356.474 1.823 50 0 FDAAMO CCc1ccc(C[N@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCC(C)C)cc1 ZINC000012053932 873540464 /nfs/dbraw/zinc/54/04/64/873540464.db2.gz AKORAKRZXGAMNH-MSOLQXFVSA-N 1 1 356.474 1.823 50 0 FDAAMO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000176623286 876783186 /nfs/dbraw/zinc/78/31/86/876783186.db2.gz IEXIOOIENSZGTO-OAHLLOKOSA-N 1 1 355.479 1.619 50 0 FDAAMO CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCc1ccccc1 ZINC000012595553 888011053 /nfs/dbraw/zinc/01/10/53/888011053.db2.gz ATMZLHWGOYPQEV-GOSISDBHSA-N 1 1 370.453 1.456 50 0 FDAAMO CN(Cc1ccon1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1 ZINC000012595553 888011060 /nfs/dbraw/zinc/01/10/60/888011060.db2.gz ATMZLHWGOYPQEV-GOSISDBHSA-N 1 1 370.453 1.456 50 0 FDAAMO Cn1ccnc1C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000011664137 892165835 /nfs/dbraw/zinc/16/58/35/892165835.db2.gz OQFQJTQDNWHRMN-SFHVURJKSA-N 1 1 364.396 1.342 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)C2(N3CCOCC3)CCCCC2)C1 ZINC000824390170 922941743 /nfs/dbraw/zinc/94/17/43/922941743.db2.gz BESOJXPBWQIAKL-SFHVURJKSA-N 1 1 367.534 1.496 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cncc(O)c1 ZINC000828930864 924978237 /nfs/dbraw/zinc/97/82/37/924978237.db2.gz ZDYRAEAXSUSGIZ-IPFXWSOASA-N 1 1 364.449 1.085 50 0 FDAAMO CCn1nccc1C(=O)N1CC[C@@H]2COCC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000581781267 927561500 /nfs/dbraw/zinc/56/15/00/927561500.db2.gz BOYGYKQBFOIIFC-IEBWSBKVSA-N 1 1 369.469 1.661 50 0 FDAAMO CCn1nccc1C(=O)N1CC[C@@H]2COCC[N@@H+](Cc3cccnc3)[C@@H]2C1 ZINC000581781267 927561509 /nfs/dbraw/zinc/56/15/09/927561509.db2.gz BOYGYKQBFOIIFC-IEBWSBKVSA-N 1 1 369.469 1.661 50 0 FDAAMO C[NH+]1CCN(C(=O)CCc2ccc3c(c2)CN(C(=O)C2CC2)CCO3)CC1 ZINC000581799889 927584485 /nfs/dbraw/zinc/58/44/85/927584485.db2.gz GIVZKFRKNFKQSM-UHFFFAOYSA-N 1 1 371.481 1.524 50 0 FDAAMO COc1ccc(CCC(=O)N2CCC3(C[C@@H]4C(=O)NCC[N@@H+]4C3)CC2)cc1 ZINC000581811563 927597603 /nfs/dbraw/zinc/59/76/03/927597603.db2.gz PJKVMZNXXLYGAS-GOSISDBHSA-N 1 1 371.481 1.441 50 0 FDAAMO C[N@@H+](CCc1ccc2c(c1)CCO2)C1CN(c2ccc3nncn3n2)C1 ZINC000585592740 952904739 /nfs/dbraw/zinc/90/47/39/952904739.db2.gz PWONTMIYYRZIFU-UHFFFAOYSA-N 1 1 350.426 1.422 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)C1 ZINC000952869056 960208708 /nfs/dbraw/zinc/20/87/08/960208708.db2.gz LWBXRQXQFPEFBV-SJORKVTESA-N 1 1 373.501 1.196 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N[C@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC000952871691 960219773 /nfs/dbraw/zinc/21/97/73/960219773.db2.gz BGOIEOYTBPUREY-QMTHXVAHSA-N 1 1 374.268 1.340 50 0 FDAAMO COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)c2c1 ZINC000952962436 960245554 /nfs/dbraw/zinc/24/55/54/960245554.db2.gz DNKZZEMLJFLANV-CQSZACIVSA-N 1 1 358.442 1.033 50 0 FDAAMO Cc1nc(S(=O)(=O)N2CCC[N@H+](Cc3cccs3)CC2)cn1C ZINC000952975724 960272507 /nfs/dbraw/zinc/27/25/07/960272507.db2.gz SUNCGWVTXKWEMH-UHFFFAOYSA-N 1 1 354.501 1.687 50 0 FDAAMO Cc1nc(S(=O)(=O)N2CCC[N@@H+](Cc3cccs3)CC2)cn1C ZINC000952975724 960272517 /nfs/dbraw/zinc/27/25/17/960272517.db2.gz SUNCGWVTXKWEMH-UHFFFAOYSA-N 1 1 354.501 1.687 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000952988781 960312547 /nfs/dbraw/zinc/31/25/47/960312547.db2.gz PCCDYKFWSZWTFL-HNNXBMFYSA-N 1 1 356.426 1.472 50 0 FDAAMO Cc1ccccc1OC[C@@H](O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000952991316 960330362 /nfs/dbraw/zinc/33/03/62/960330362.db2.gz NOBSNTPHTPBVHX-LJQANCHMSA-N 1 1 354.450 1.909 50 0 FDAAMO COCCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194449496 178212135 /nfs/dbraw/zinc/21/21/35/178212135.db2.gz AHWXEQKOABPPAU-IBGZPJMESA-N 1 1 360.502 1.482 50 0 FDAAMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)NCc3cccnc3)c2)CC1 ZINC000299782146 530069830 /nfs/dbraw/zinc/06/98/30/530069830.db2.gz SJZBNXSHMITTBD-UHFFFAOYSA-N 1 1 353.426 1.791 50 0 FDAAMO COCCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cccnc3)CC2)C1 ZINC000534589108 540386699 /nfs/dbraw/zinc/38/66/99/540386699.db2.gz FORWKCGJKBUYBN-QGZVFWFLSA-N 1 1 361.490 1.272 50 0 FDAAMO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000013556523 220073751 /nfs/dbraw/zinc/07/37/51/220073751.db2.gz XANKLBNGMGBSQJ-UHFFFAOYSA-N 1 1 351.472 1.872 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000013623981 220079071 /nfs/dbraw/zinc/07/90/71/220079071.db2.gz KHGARDVQEVLEDB-MRXNPFEDSA-N 1 1 365.499 1.251 50 0 FDAAMO Cc1cc(C)n2nc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)nc2n1 ZINC000014121243 220107427 /nfs/dbraw/zinc/10/74/27/220107427.db2.gz VDVNTBPWGRYWST-UHFFFAOYSA-N 1 1 372.473 1.506 50 0 FDAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c1 ZINC000014885727 220135093 /nfs/dbraw/zinc/13/50/93/220135093.db2.gz GAQDNZKVEHNHDJ-AWEZNQCLSA-N 1 1 369.469 1.932 50 0 FDAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)c1 ZINC000014885724 220135661 /nfs/dbraw/zinc/13/56/61/220135661.db2.gz GAQDNZKVEHNHDJ-CQSZACIVSA-N 1 1 369.469 1.932 50 0 FDAAMO O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000014755667 220132114 /nfs/dbraw/zinc/13/21/14/220132114.db2.gz NGHNTWAZEYVMEY-RTBURBONSA-N 1 1 365.433 1.146 50 0 FDAAMO O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000014755667 220132118 /nfs/dbraw/zinc/13/21/18/220132118.db2.gz NGHNTWAZEYVMEY-RTBURBONSA-N 1 1 365.433 1.146 50 0 FDAAMO C[C@@H]1CCCN(Cc2nnn(-c3nonc3N)c2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000015024154 220142413 /nfs/dbraw/zinc/14/24/13/220142413.db2.gz QFENPDYVIVLENT-ZIAGYGMSSA-N 1 1 374.493 1.696 50 0 FDAAMO C[C@@H]1CCCN(Cc2nnn(-c3nonc3N)c2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000015024154 220142418 /nfs/dbraw/zinc/14/24/18/220142418.db2.gz QFENPDYVIVLENT-ZIAGYGMSSA-N 1 1 374.493 1.696 50 0 FDAAMO CCCC[N@@H+](C)Cc1ccc(C(=O)NCCn2nc(C)cc2C)c(=O)[nH]1 ZINC000014979919 220138106 /nfs/dbraw/zinc/13/81/06/220138106.db2.gz MFBYZXRLSAXKIU-UHFFFAOYSA-N 1 1 359.474 1.850 50 0 FDAAMO CNC(=O)NC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524064 220154429 /nfs/dbraw/zinc/15/44/29/220154429.db2.gz PEWWHHHOWXJLON-UHFFFAOYSA-N 1 1 359.352 1.068 50 0 FDAAMO CNC(=O)NC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524064 220154430 /nfs/dbraw/zinc/15/44/30/220154430.db2.gz PEWWHHHOWXJLON-UHFFFAOYSA-N 1 1 359.352 1.068 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 ZINC000019527849 220268883 /nfs/dbraw/zinc/26/88/83/220268883.db2.gz PEVCNGWBXHAVJV-UHFFFAOYSA-N 1 1 373.906 1.579 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1 ZINC000020500470 220329630 /nfs/dbraw/zinc/32/96/30/220329630.db2.gz DYRKWSDXDKPKCL-OAHLLOKOSA-N 1 1 353.488 1.314 50 0 FDAAMO CSc1ncc(C(=O)N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)c(=O)[nH]1 ZINC000299794569 533080999 /nfs/dbraw/zinc/08/09/99/533080999.db2.gz KRLDYJYZUKANQW-GFCCVEGCSA-N 1 1 366.487 1.213 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2nn(C)c(=O)c3ccccc32)C[C@@H](C)O1 ZINC000021526037 220359647 /nfs/dbraw/zinc/35/96/47/220359647.db2.gz ROTFGMUSMABANP-ZIAGYGMSSA-N 1 1 372.469 1.551 50 0 FDAAMO C[NH+]1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022466245 220386896 /nfs/dbraw/zinc/38/68/96/220386896.db2.gz JWEWFUZUNYLKDF-GOSISDBHSA-N 1 1 350.503 1.988 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)C1 ZINC000022694062 220395600 /nfs/dbraw/zinc/39/56/00/220395600.db2.gz CHOUZDGZPNOVFM-GDBMZVCRSA-N 1 1 363.433 1.725 50 0 FDAAMO Cc1ccc(C[NH+]2CCN(CC(=O)N3CCC4(CC3)OCCO4)CC2)cc1 ZINC000022752017 220397669 /nfs/dbraw/zinc/39/76/69/220397669.db2.gz FETVHAUFOOCHLV-UHFFFAOYSA-N 1 1 373.497 1.478 50 0 FDAAMO C[C@H](NC(=O)c1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736121 220433808 /nfs/dbraw/zinc/43/38/08/220433808.db2.gz FWOGZSMUIZCDFU-KRWDZBQOSA-N 1 1 373.497 1.956 50 0 FDAAMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000051097621 221033246 /nfs/dbraw/zinc/03/32/46/221033246.db2.gz JZAMMKGUBLFKCB-GFCCVEGCSA-N 1 1 350.419 1.016 50 0 FDAAMO CC(C)N(C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000052833515 221039893 /nfs/dbraw/zinc/03/98/93/221039893.db2.gz WHFWXACGQVBVPW-CYBMUJFWSA-N 1 1 356.467 1.539 50 0 FDAAMO CC(C)N(C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1)C(=O)OC(C)(C)C ZINC000052833515 221039895 /nfs/dbraw/zinc/03/98/95/221039895.db2.gz WHFWXACGQVBVPW-CYBMUJFWSA-N 1 1 356.467 1.539 50 0 FDAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055270198 221064188 /nfs/dbraw/zinc/06/41/88/221064188.db2.gz XYXKGCXOCDHEQJ-MRXNPFEDSA-N 1 1 370.453 1.907 50 0 FDAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cnn2cccnc12 ZINC000056039977 221077180 /nfs/dbraw/zinc/07/71/80/221077180.db2.gz PDFOKFXJWAXQIY-UHFFFAOYSA-N 1 1 351.410 1.856 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000056999092 221082570 /nfs/dbraw/zinc/08/25/70/221082570.db2.gz FWHKGCIGBSTWDE-OWCLPIDISA-N 1 1 373.563 1.531 50 0 FDAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(N)=O)nc3)CC2)cc1 ZINC000058177869 221103719 /nfs/dbraw/zinc/10/37/19/221103719.db2.gz DQTRQAYMKJJRDT-UHFFFAOYSA-N 1 1 352.438 1.837 50 0 FDAAMO CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000058209284 221106903 /nfs/dbraw/zinc/10/69/03/221106903.db2.gz DDNOGOOYBPZXFN-HNNXBMFYSA-N 1 1 360.458 1.170 50 0 FDAAMO Cn1nnnc1-c1cccc(NC(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000057881146 221094993 /nfs/dbraw/zinc/09/49/93/221094993.db2.gz MBIMIFNXEXTEOA-UHFFFAOYSA-N 1 1 372.477 1.026 50 0 FDAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](CCn3cccn3)CC2)cc1OC ZINC000062021983 221138725 /nfs/dbraw/zinc/13/87/25/221138725.db2.gz KLPLFLQBPSTISO-FNORWQNLSA-N 1 1 370.453 1.758 50 0 FDAAMO CC[NH+]1CCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)CC1 ZINC000065216464 221181234 /nfs/dbraw/zinc/18/12/34/221181234.db2.gz YRNINOODCOYZGO-UHFFFAOYSA-N 1 1 374.514 1.822 50 0 FDAAMO CSc1nccc(N2CCN(CC(C)(C)[NH+]3CCOCC3)CC2)n1 ZINC000065396633 221210904 /nfs/dbraw/zinc/21/09/04/221210904.db2.gz FFTYBPOJTXLRKG-UHFFFAOYSA-N 1 1 351.520 1.431 50 0 FDAAMO CCn1c(CC2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C(C)C)CC2)n[nH]c1=O ZINC000065399070 221211985 /nfs/dbraw/zinc/21/19/85/221211985.db2.gz LYAJJRJWRCTEAJ-CQSZACIVSA-N 1 1 374.489 1.954 50 0 FDAAMO C[N@H+]1CCN2CCN(C(=O)c3ccc(NCc4ccncc4)cc3)C[C@@H]2C1 ZINC000065431651 221218525 /nfs/dbraw/zinc/21/85/25/221218525.db2.gz HZBQWECOOAUZII-FQEVSTJZSA-N 1 1 365.481 1.766 50 0 FDAAMO Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](O)[C@@H](N2CC[NH+](C)CC2)C1 ZINC000065458005 221222151 /nfs/dbraw/zinc/22/21/51/221222151.db2.gz AGUIMMGMYVARKD-OALUTQOASA-N 1 1 374.529 1.349 50 0 FDAAMO CC(=O)N1CCCn2nc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+](C)C)cc2C1 ZINC000065508141 221227892 /nfs/dbraw/zinc/22/78/92/221227892.db2.gz DBTNNZOFKYZICJ-KRWDZBQOSA-N 1 1 373.457 1.569 50 0 FDAAMO Cc1cc(C)n2nc(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2n1 ZINC000065526376 221229141 /nfs/dbraw/zinc/22/91/41/221229141.db2.gz AWFAZHLZRRIXGL-KRWDZBQOSA-N 1 1 364.453 1.674 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3ccno3)C2=O)c1 ZINC000067473313 221255297 /nfs/dbraw/zinc/25/52/97/221255297.db2.gz KYODTPVRHREFFC-SFHVURJKSA-N 1 1 363.389 1.466 50 0 FDAAMO Cc1nn(C)cc1CN1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000067654857 221267153 /nfs/dbraw/zinc/26/71/53/221267153.db2.gz HENWKIVTEDODGK-INIZCTEOSA-N 1 1 359.518 1.684 50 0 FDAAMO COc1ccc(C(=O)NCCNc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000067604006 221262630 /nfs/dbraw/zinc/26/26/30/221262630.db2.gz YZSBFOOOUZZXBQ-UHFFFAOYSA-N 1 1 371.441 1.472 50 0 FDAAMO COc1ccccc1C(=O)NCCNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC000067629377 221263928 /nfs/dbraw/zinc/26/39/28/221263928.db2.gz RCNBCFNXKPQACV-UHFFFAOYSA-N 1 1 371.441 1.472 50 0 FDAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N[C@H](CO)c2cccnc2)[nH]n1 ZINC000067755540 221280494 /nfs/dbraw/zinc/28/04/94/221280494.db2.gz ILRNPWCJAGSWHU-MRXNPFEDSA-N 1 1 354.414 1.636 50 0 FDAAMO CCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000067772558 221282858 /nfs/dbraw/zinc/28/28/58/221282858.db2.gz ZKQXSUCWUJFIDW-UHFFFAOYSA-N 1 1 358.486 1.887 50 0 FDAAMO CCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CC[N@@H+]3C)cc1 ZINC000067772558 221282860 /nfs/dbraw/zinc/28/28/60/221282860.db2.gz ZKQXSUCWUJFIDW-UHFFFAOYSA-N 1 1 358.486 1.887 50 0 FDAAMO CCC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CN(C)CC[N@H+]3C)cc1 ZINC000067772558 221282862 /nfs/dbraw/zinc/28/28/62/221282862.db2.gz ZKQXSUCWUJFIDW-UHFFFAOYSA-N 1 1 358.486 1.887 50 0 FDAAMO Cc1ccc(C2(O)CCN(c3nc(N4CCC[C@H](O)C4)cc[nH+]3)CC2)nc1 ZINC000067847666 221294430 /nfs/dbraw/zinc/29/44/30/221294430.db2.gz FNFZBKZMOQBNNL-INIZCTEOSA-N 1 1 369.469 1.629 50 0 FDAAMO Cc1cccc2nc(CN(C)C(=O)c3cn(C[C@H]4CCC[NH2+]C4)nn3)[nH]c21 ZINC000067935366 221306763 /nfs/dbraw/zinc/30/67/63/221306763.db2.gz BUBJIUSTGONKQO-AWEZNQCLSA-N 1 1 367.457 1.735 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+](C)CCN(C)C)C2=O)c1 ZINC000067955679 221309654 /nfs/dbraw/zinc/30/96/54/221309654.db2.gz GZDCLEOHANOZLT-LJQANCHMSA-N 1 1 367.465 1.181 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@@H+](C)CCN(C)C)C2=O)c1 ZINC000067955679 221309657 /nfs/dbraw/zinc/30/96/57/221309657.db2.gz GZDCLEOHANOZLT-LJQANCHMSA-N 1 1 367.465 1.181 50 0 FDAAMO Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)no1 ZINC000071404072 221344879 /nfs/dbraw/zinc/34/48/79/221344879.db2.gz RYYVFIDOKAFHMC-INIZCTEOSA-N 1 1 374.485 1.712 50 0 FDAAMO O=C(NCCO)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071403992 221345360 /nfs/dbraw/zinc/34/53/60/221345360.db2.gz WXPUNAWUTMNXHI-LJQANCHMSA-N 1 1 359.514 1.514 50 0 FDAAMO CC[N@@H+](C)CCC(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071707910 221353724 /nfs/dbraw/zinc/35/37/24/221353724.db2.gz QRNVYNLYAHLWNN-UHFFFAOYSA-N 1 1 374.485 1.947 50 0 FDAAMO Cc1[nH+]cc(CN2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1C ZINC000071721302 221355312 /nfs/dbraw/zinc/35/53/12/221355312.db2.gz OPGMUACCBWGDGM-HNNXBMFYSA-N 1 1 352.442 1.982 50 0 FDAAMO Cc1ncc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1C ZINC000071721302 221355314 /nfs/dbraw/zinc/35/53/14/221355314.db2.gz OPGMUACCBWGDGM-HNNXBMFYSA-N 1 1 352.442 1.982 50 0 FDAAMO Cc1ncc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1C ZINC000071721302 221355315 /nfs/dbraw/zinc/35/53/15/221355315.db2.gz OPGMUACCBWGDGM-HNNXBMFYSA-N 1 1 352.442 1.982 50 0 FDAAMO COCCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071764092 221370747 /nfs/dbraw/zinc/37/07/47/221370747.db2.gz UTHRKPYIRQEBNF-IBGZPJMESA-N 1 1 374.529 1.863 50 0 FDAAMO CC[N@@H+](C)[C@@H](C)C(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071774483 221373769 /nfs/dbraw/zinc/37/37/69/221373769.db2.gz KKGYJFFEYBKONC-ZDUSSCGKSA-N 1 1 374.485 1.945 50 0 FDAAMO CSCC[NH+]1CCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000299757108 533581917 /nfs/dbraw/zinc/58/19/17/533581917.db2.gz HVEHWRZAOLVMEW-UHFFFAOYSA-N 1 1 366.462 1.726 50 0 FDAAMO CSCC[C@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299775000 533652421 /nfs/dbraw/zinc/65/24/21/533652421.db2.gz JYGBPJUVMQTJQH-KRWDZBQOSA-N 1 1 364.515 1.374 50 0 FDAAMO CSCC[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299775000 533652430 /nfs/dbraw/zinc/65/24/30/533652430.db2.gz JYGBPJUVMQTJQH-KRWDZBQOSA-N 1 1 364.515 1.374 50 0 FDAAMO CCc1cc(NCC[C@@H]2CN(c3cnn(C)c(=O)c3)CCO2)nc(C)[nH+]1 ZINC000077565896 132189084 /nfs/dbraw/zinc/18/90/84/132189084.db2.gz GIMSGINVZWHZKY-MRXNPFEDSA-N 1 1 358.446 1.149 50 0 FDAAMO CNc1cc(C)nc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)n1 ZINC000091650239 132202748 /nfs/dbraw/zinc/20/27/48/132202748.db2.gz XDWHSAIENQYIOP-SJORKVTESA-N 1 1 362.522 1.042 50 0 FDAAMO CN1CC[N@H+](C2CCN(c3ccccc3)CC2)C[C@]12CCNC(=O)CC2 ZINC000091726189 132203241 /nfs/dbraw/zinc/20/32/41/132203241.db2.gz RQCMIOFKYXDMGQ-NRFANRHFSA-N 1 1 356.514 1.942 50 0 FDAAMO C[N@@H+]1CCN(C2CCN(c3ccccc3)CC2)C[C@]12CCNC(=O)CC2 ZINC000091726189 132203243 /nfs/dbraw/zinc/20/32/43/132203243.db2.gz RQCMIOFKYXDMGQ-NRFANRHFSA-N 1 1 356.514 1.942 50 0 FDAAMO C[N@H+]1CCN(C2CCN(c3ccccc3)CC2)C[C@]12CCNC(=O)CC2 ZINC000091726189 132203245 /nfs/dbraw/zinc/20/32/45/132203245.db2.gz RQCMIOFKYXDMGQ-NRFANRHFSA-N 1 1 356.514 1.942 50 0 FDAAMO Cc1cc(N2CCC([N@@H+]3C[C@H]4CCC[C@@]4(CO)C3)CC2)nc(N(C)C)n1 ZINC000095354565 132207204 /nfs/dbraw/zinc/20/72/04/132207204.db2.gz XRERXOWECJKBNQ-UZLBHIALSA-N 1 1 359.518 1.914 50 0 FDAAMO Cc1cc(N2CCC([N@H+]3C[C@H]4CCC[C@@]4(CO)C3)CC2)nc(N(C)C)n1 ZINC000095354565 132207205 /nfs/dbraw/zinc/20/72/05/132207205.db2.gz XRERXOWECJKBNQ-UZLBHIALSA-N 1 1 359.518 1.914 50 0 FDAAMO CCc1cc(N2CCC([NH2+][C@@H]3CCCNC3=O)CC2)nc(N2CCCC2)n1 ZINC000095501563 132212261 /nfs/dbraw/zinc/21/22/61/132212261.db2.gz JLAGUILXDZKOHR-QGZVFWFLSA-N 1 1 372.517 1.476 50 0 FDAAMO Cc1ncnc(N2CCN(C(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1C ZINC000299755658 132297991 /nfs/dbraw/zinc/29/79/91/132297991.db2.gz GLHYAVNCRQUPQT-KRWDZBQOSA-N 1 1 361.490 1.241 50 0 FDAAMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)C2CC2)CC3)CC1 ZINC000034676926 136117859 /nfs/dbraw/zinc/11/78/59/136117859.db2.gz WKVHXMDBJGRGAO-UHFFFAOYSA-N 1 1 370.501 1.123 50 0 FDAAMO CC(C)[C@@]1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000060358236 136132456 /nfs/dbraw/zinc/13/24/56/136132456.db2.gz MEANVTUQMIYMSX-FXAWDEMLSA-N 1 1 374.485 1.136 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(c3cnccn3)CC2)C1)N1CCOCC1 ZINC000071661903 136139644 /nfs/dbraw/zinc/13/96/44/136139644.db2.gz PMAHMGDFLPUSBM-MRXNPFEDSA-N 1 1 359.474 1.016 50 0 FDAAMO C[C@@H](c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1)[NH+]1CCOCC1 ZINC000096132708 222038326 /nfs/dbraw/zinc/03/83/26/222038326.db2.gz STRUOEMFQYYGGZ-LBPRGKRZSA-N 1 1 369.425 1.021 50 0 FDAAMO COc1cccc(-c2nc3c([nH]2)CN(C(=O)C[C@H]2COCC[NH2+]2)CC3)c1 ZINC000096139803 222044399 /nfs/dbraw/zinc/04/43/99/222044399.db2.gz VXCNCCGJVJGRJM-AWEZNQCLSA-N 1 1 356.426 1.349 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccnc2)C[N@H+]1C1CCOCC1 ZINC000096142191 222046198 /nfs/dbraw/zinc/04/61/98/222046198.db2.gz WOBBSAFUXBSDQW-WMZOPIPTSA-N 1 1 374.485 1.302 50 0 FDAAMO CC(C)[N@H+]1CCO[C@H](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000097117811 222161331 /nfs/dbraw/zinc/16/13/31/222161331.db2.gz MTJBIAPPMGSNTB-MRXNPFEDSA-N 1 1 351.516 1.892 50 0 FDAAMO COc1cc2c(cc1OC)C[N@H+](C1CCN(C(=O)c3cn[nH]n3)CC1)CC2 ZINC000097244073 222170411 /nfs/dbraw/zinc/17/04/11/222170411.db2.gz QTFSZBATVDBZTQ-UHFFFAOYSA-N 1 1 371.441 1.485 50 0 FDAAMO CN(C)CC(=O)N1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@@H](CO)C1 ZINC000097475555 222183493 /nfs/dbraw/zinc/18/34/93/222183493.db2.gz FEUVPESDMDFGCM-GOSISDBHSA-N 1 1 360.502 1.066 50 0 FDAAMO Cn1c2ccccc2nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC000097681824 222205676 /nfs/dbraw/zinc/20/56/76/222205676.db2.gz MYWMDVHEFQUVFS-INIZCTEOSA-N 1 1 362.433 1.938 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000097551251 222191736 /nfs/dbraw/zinc/19/17/36/222191736.db2.gz FOVKUQIMEMSSQE-MRXNPFEDSA-N 1 1 369.469 1.951 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000097551251 222191738 /nfs/dbraw/zinc/19/17/38/222191738.db2.gz FOVKUQIMEMSSQE-MRXNPFEDSA-N 1 1 369.469 1.951 50 0 FDAAMO CN1CCC2(CC1)CN(C(=O)CC1=CSC3=NCCN13)CCC[N@H+]2C ZINC000101976822 222288603 /nfs/dbraw/zinc/28/86/03/222288603.db2.gz NJBAJZAEMYSFIT-UHFFFAOYSA-N 1 1 363.531 1.265 50 0 FDAAMO O=C(NCc1cc2n(n1)CCCN(C1CCCCC1)C2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000102246843 222292904 /nfs/dbraw/zinc/29/29/04/222292904.db2.gz URQGYHSXJXPTFC-BWTSREIZSA-N 1 1 357.502 1.503 50 0 FDAAMO COC(=O)C1C(CN2CCC[N@@H+](C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000106615554 222386870 /nfs/dbraw/zinc/38/68/70/222386870.db2.gz DQKFCZMSSOHKHA-QGZVFWFLSA-N 1 1 358.442 1.105 50 0 FDAAMO COC(=O)C1=C(CN2CCC[N@@H+](C)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000106615554 222386874 /nfs/dbraw/zinc/38/68/74/222386874.db2.gz DQKFCZMSSOHKHA-QGZVFWFLSA-N 1 1 358.442 1.105 50 0 FDAAMO O=C1NCCN2CC[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@H]12 ZINC000106704142 222387765 /nfs/dbraw/zinc/38/77/65/222387765.db2.gz KHPPADSZVKICDZ-GOSISDBHSA-N 1 1 362.437 1.012 50 0 FDAAMO O=C1NCCN2CC[N@@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@H]12 ZINC000106704142 222387769 /nfs/dbraw/zinc/38/77/69/222387769.db2.gz KHPPADSZVKICDZ-GOSISDBHSA-N 1 1 362.437 1.012 50 0 FDAAMO C[C@H](CN1CCOCC1)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374767664 261192304 /nfs/dbraw/zinc/19/23/04/261192304.db2.gz YGOZYDPOGPYPGD-OAHLLOKOSA-N 1 1 352.500 1.211 50 0 FDAAMO C[C@H](CN1CCOCC1)[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374767664 261192306 /nfs/dbraw/zinc/19/23/06/261192306.db2.gz YGOZYDPOGPYPGD-OAHLLOKOSA-N 1 1 352.500 1.211 50 0 FDAAMO NC(=O)CCSC1=NN/C(=C2\C=c3ccccc3=[NH+]2)N1c1ccccc1 ZINC000009118783 263359246 /nfs/dbraw/zinc/35/92/46/263359246.db2.gz JEPQICWOUHQSEB-VLGSPTGOSA-N 1 1 363.446 1.259 50 0 FDAAMO O=C(NCc1nnc2n1CC[N@H+](CC1CCCCC1)CC2)[C@H]1CCOC1 ZINC000011971783 263368915 /nfs/dbraw/zinc/36/89/15/263368915.db2.gz NEZVPGAAGNMRTK-INIZCTEOSA-N 1 1 361.490 1.369 50 0 FDAAMO NC(=O)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020445617 263379923 /nfs/dbraw/zinc/37/99/23/263379923.db2.gz AWOAPCRPLZSFDT-UHFFFAOYSA-N 1 1 352.438 1.542 50 0 FDAAMO Cn1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc2c1=O ZINC000002857715 518252275 /nfs/dbraw/zinc/25/22/75/518252275.db2.gz PCVVIHQBWVWZNW-UHFFFAOYSA-N 1 1 362.433 1.988 50 0 FDAAMO O=C([C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000004721099 518309171 /nfs/dbraw/zinc/30/91/71/518309171.db2.gz VGTWZZZCXHUEAS-WMLDXEAASA-N 1 1 373.428 1.792 50 0 FDAAMO O=C([C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000004721099 518309180 /nfs/dbraw/zinc/30/91/80/518309180.db2.gz VGTWZZZCXHUEAS-WMLDXEAASA-N 1 1 373.428 1.792 50 0 FDAAMO C[NH+]1CCN(C(=O)/C(=C\c2ccc(O)cc2)NC(=O)c2ccccc2)CC1 ZINC000005059138 518328949 /nfs/dbraw/zinc/32/89/49/518328949.db2.gz UGJIUSWDHXVDJD-XDJHFCHBSA-N 1 1 365.433 1.937 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccccc2F)C1 ZINC000007436830 518420973 /nfs/dbraw/zinc/42/09/73/518420973.db2.gz JZDLLQCJLNNMOA-LBPRGKRZSA-N 1 1 351.378 1.749 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccccc2F)C1 ZINC000007436830 518420975 /nfs/dbraw/zinc/42/09/75/518420975.db2.gz JZDLLQCJLNNMOA-LBPRGKRZSA-N 1 1 351.378 1.749 50 0 FDAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000007494190 518423562 /nfs/dbraw/zinc/42/35/62/518423562.db2.gz GHRLWOPMFOCZIO-GJZGRUSLSA-N 1 1 360.458 1.048 50 0 FDAAMO Cc1ccc(CCC2CC[NH+](CCS(=O)(=O)CCC(N)=O)CC2)cc1 ZINC000009337807 518503259 /nfs/dbraw/zinc/50/32/59/518503259.db2.gz VFJVAEBDWIEPPH-UHFFFAOYSA-N 1 1 366.527 1.930 50 0 FDAAMO COc1ccccc1NC(=O)CCc1c(C)nc2nc(C[NH3+])nn2c1C ZINC000009407443 518506486 /nfs/dbraw/zinc/50/64/86/518506486.db2.gz MXKPNLQDPKNGDA-UHFFFAOYSA-N 1 1 354.414 1.780 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c(=O)[nH]c1=O ZINC000010340045 518534436 /nfs/dbraw/zinc/53/44/36/518534436.db2.gz VMZXGVAWCMJMCU-CQSZACIVSA-N 1 1 356.426 1.549 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)c(=O)[nH]c1=O ZINC000010340045 518534440 /nfs/dbraw/zinc/53/44/40/518534440.db2.gz VMZXGVAWCMJMCU-CQSZACIVSA-N 1 1 356.426 1.549 50 0 FDAAMO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000010384486 518535251 /nfs/dbraw/zinc/53/52/51/518535251.db2.gz FEAMQUJHJWWQNJ-MRXNPFEDSA-N 1 1 360.410 1.556 50 0 FDAAMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCn4cnnn4)C3)C2)c1 ZINC000012209876 518596999 /nfs/dbraw/zinc/59/69/99/518596999.db2.gz FTYHSNJEFKFLQY-HXUWFJFHSA-N 1 1 368.485 1.886 50 0 FDAAMO Cc1nc(C)c(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000012458372 518614076 /nfs/dbraw/zinc/61/40/76/518614076.db2.gz QYGUATQYRVFYJG-UHFFFAOYSA-N 1 1 354.454 1.664 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncnc4onc(C)c43)C2)CC1 ZINC000020945331 518861677 /nfs/dbraw/zinc/86/16/77/518861677.db2.gz AYKOVNNUIMPJNM-AWEZNQCLSA-N 1 1 358.446 1.307 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000021637956 518879504 /nfs/dbraw/zinc/87/95/04/518879504.db2.gz MNRYZTMEIGGURW-UHFFFAOYSA-N 1 1 369.425 1.196 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccco1 ZINC000024587155 518998568 /nfs/dbraw/zinc/99/85/68/518998568.db2.gz NEZUMCQLNMIOGV-OAHLLOKOSA-N 1 1 354.410 1.868 50 0 FDAAMO Cc1ccc(C(=O)NCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C ZINC000028015680 519215050 /nfs/dbraw/zinc/21/50/50/519215050.db2.gz PGMKLWRWLOSXQX-GOSISDBHSA-N 1 1 361.486 1.506 50 0 FDAAMO CSc1nc(C[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc(=O)[nH]1 ZINC000032860389 519546095 /nfs/dbraw/zinc/54/60/95/519546095.db2.gz IXRNAEGZXOZGMZ-UHFFFAOYSA-N 1 1 358.467 1.886 50 0 FDAAMO Cn1c(=O)c(C(=O)c2ccc(Cl)cc2Cl)c(C[NH+](C)C)n(C)c1=O ZINC000034925684 519599582 /nfs/dbraw/zinc/59/95/82/519599582.db2.gz ZEFMRJXWIALPSX-UHFFFAOYSA-N 1 1 370.236 1.683 50 0 FDAAMO O=C(CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)Nc1ccc2c(c1)OCCO2 ZINC000036550318 519623044 /nfs/dbraw/zinc/62/30/44/519623044.db2.gz GFBFEDLXWFBXLW-MRXNPFEDSA-N 1 1 367.405 1.227 50 0 FDAAMO CC(C)(C)OC[C@H](O)C[N@@H+](CCO)C[C@H](O)Cn1ccc2ccccc21 ZINC000036602824 519624012 /nfs/dbraw/zinc/62/40/12/519624012.db2.gz TWFSWHWTDMUFAP-ZWKOTPCHSA-N 1 1 364.486 1.473 50 0 FDAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)nc1 ZINC000040047130 519639100 /nfs/dbraw/zinc/63/91/00/519639100.db2.gz DKYIIIUXJDQTLL-IBGZPJMESA-N 1 1 366.465 1.923 50 0 FDAAMO CSCc1ccc(C[NH2+]CCS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000040153293 519641106 /nfs/dbraw/zinc/64/11/06/519641106.db2.gz KFVBUOWGLMZCPC-BETUJISGSA-N 1 1 362.517 1.671 50 0 FDAAMO CC[NH+]1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)COC(C)(C)C4)CC1 ZINC000040266268 519642415 /nfs/dbraw/zinc/64/24/15/519642415.db2.gz LTXHEWWYCRSFAZ-UHFFFAOYSA-N 1 1 362.499 1.973 50 0 FDAAMO O=C(C[N@H+]1CCc2nnc(Cc3ccccc3)n2CC1)N1CCCCC1 ZINC000299767448 534552373 /nfs/dbraw/zinc/55/23/73/534552373.db2.gz LGEYULTWTDQETL-UHFFFAOYSA-N 1 1 353.470 1.740 50 0 FDAAMO O=C(C[N@@H+]1CCc2nnc(Cc3ccccc3)n2CC1)N1CCCCC1 ZINC000299767448 534552380 /nfs/dbraw/zinc/55/23/80/534552380.db2.gz LGEYULTWTDQETL-UHFFFAOYSA-N 1 1 353.470 1.740 50 0 FDAAMO CCOc1ccccc1C(=O)N1CC[C@H]2C[N@@H+](CCN3CCOCC3)C[C@H]21 ZINC000082136835 521453829 /nfs/dbraw/zinc/45/38/29/521453829.db2.gz IAXHBRQZDJGUKN-PKOBYXMFSA-N 1 1 373.497 1.564 50 0 FDAAMO CCC(CC)[C@H](CNC(=O)Nc1cnn(CCOC)c1)[NH+]1CCOCC1 ZINC000071925606 522138883 /nfs/dbraw/zinc/13/88/83/522138883.db2.gz RRCOXKZKIKYEQU-KRWDZBQOSA-N 1 1 367.494 1.788 50 0 FDAAMO O=C(NCc1ccncc1)[C@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CCN1 ZINC000072121600 522152592 /nfs/dbraw/zinc/15/25/92/522152592.db2.gz DTFKYBWOXLELRJ-QGZVFWFLSA-N 1 1 366.425 1.155 50 0 FDAAMO O=C(NCc1ccncc1)[C@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CCN1 ZINC000072121600 522152604 /nfs/dbraw/zinc/15/26/04/522152604.db2.gz DTFKYBWOXLELRJ-QGZVFWFLSA-N 1 1 366.425 1.155 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nncn1C(C)C ZINC000072125305 522156544 /nfs/dbraw/zinc/15/65/44/522156544.db2.gz VFBBPYNQQHCDKS-HNNXBMFYSA-N 1 1 364.494 1.054 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](C1CCN(Cc3ccccn3)CC1)CC2 ZINC000072137279 522163666 /nfs/dbraw/zinc/16/36/66/522163666.db2.gz NCMDVIZAQOSAQZ-LJQANCHMSA-N 1 1 372.513 1.917 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000072289180 522204779 /nfs/dbraw/zinc/20/47/79/522204779.db2.gz PUGOOCJOUPGVKA-AWEZNQCLSA-N 1 1 350.467 1.080 50 0 FDAAMO CC(C)[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)[NH+]1CCN(C)CC1 ZINC000072286025 522206149 /nfs/dbraw/zinc/20/61/49/522206149.db2.gz JCBBMFPSYJKOFU-LSDHHAIUSA-N 1 1 350.463 1.528 50 0 FDAAMO CCOC(=O)[C@H](C)C[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000072309057 522209731 /nfs/dbraw/zinc/20/97/31/522209731.db2.gz KVLVGKAWTGSZMT-IXDOHACOSA-N 1 1 353.507 1.308 50 0 FDAAMO Cc1cc(=O)[nH]c(SCC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000072409202 522239467 /nfs/dbraw/zinc/23/94/67/522239467.db2.gz XNUUZRLWQFQBRU-INIZCTEOSA-N 1 1 372.494 1.686 50 0 FDAAMO Cc1cc(=O)[nH]c(SCC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)n1 ZINC000072409202 522239471 /nfs/dbraw/zinc/23/94/71/522239471.db2.gz XNUUZRLWQFQBRU-INIZCTEOSA-N 1 1 372.494 1.686 50 0 FDAAMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)cn1 ZINC000072408937 522240577 /nfs/dbraw/zinc/24/05/77/522240577.db2.gz SQQDRVCBJBGGHP-PKOBYXMFSA-N 1 1 353.470 1.871 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072410542 522242281 /nfs/dbraw/zinc/24/22/81/522242281.db2.gz DGPXPEOREWHTCE-INIZCTEOSA-N 1 1 353.444 1.011 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072410542 522242287 /nfs/dbraw/zinc/24/22/87/522242287.db2.gz DGPXPEOREWHTCE-INIZCTEOSA-N 1 1 353.444 1.011 50 0 FDAAMO C[N@H+]1CCc2nc(-c3ccco3)nc(NCCN3CCNC3=O)c2CC1 ZINC000072410506 522242735 /nfs/dbraw/zinc/24/27/35/522242735.db2.gz FLEXSNJCRWGTSD-UHFFFAOYSA-N 1 1 356.430 1.204 50 0 FDAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072410140 522243080 /nfs/dbraw/zinc/24/30/80/522243080.db2.gz KUKNSBIVTHNSLK-MRXNPFEDSA-N 1 1 373.505 1.243 50 0 FDAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072410140 522243084 /nfs/dbraw/zinc/24/30/84/522243084.db2.gz KUKNSBIVTHNSLK-MRXNPFEDSA-N 1 1 373.505 1.243 50 0 FDAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072410139 522243162 /nfs/dbraw/zinc/24/31/62/522243162.db2.gz KUKNSBIVTHNSLK-INIZCTEOSA-N 1 1 373.505 1.243 50 0 FDAAMO CCn1ccnc1C[N@H+]1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072410139 522243169 /nfs/dbraw/zinc/24/31/69/522243169.db2.gz KUKNSBIVTHNSLK-INIZCTEOSA-N 1 1 373.505 1.243 50 0 FDAAMO CCn1cc(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c(C)n1 ZINC000072423630 522257296 /nfs/dbraw/zinc/25/72/96/522257296.db2.gz XNJFAYRPCIQOBQ-FQEVSTJZSA-N 1 1 367.453 1.187 50 0 FDAAMO O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072426174 522257736 /nfs/dbraw/zinc/25/77/36/522257736.db2.gz YTBXLESZMDQRDV-UHFFFAOYSA-N 1 1 354.410 1.138 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072432205 522269914 /nfs/dbraw/zinc/26/99/14/522269914.db2.gz VNUCLTSXPSHTSD-KRWDZBQOSA-N 1 1 370.501 1.546 50 0 FDAAMO CN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCC4)n1)CC[NH2+]CC2 ZINC000072435041 522271042 /nfs/dbraw/zinc/27/10/42/522271042.db2.gz NWHQGJCXGRSKRR-UHFFFAOYSA-N 1 1 355.490 1.469 50 0 FDAAMO O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000072472944 522293271 /nfs/dbraw/zinc/29/32/71/522293271.db2.gz YWOVDDILLXZLFL-SFHVURJKSA-N 1 1 367.453 1.539 50 0 FDAAMO O=C(COc1ccc2c(c1)OCO2)N[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072474493 522294919 /nfs/dbraw/zinc/29/49/19/522294919.db2.gz GJQASZQAYNJPGX-INIZCTEOSA-N 1 1 369.421 1.970 50 0 FDAAMO O=C(COc1ccc2c(c1)OCO2)N[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072474493 522294927 /nfs/dbraw/zinc/29/49/27/522294927.db2.gz GJQASZQAYNJPGX-INIZCTEOSA-N 1 1 369.421 1.970 50 0 FDAAMO O=C(c1cnccn1)N1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072475545 522297693 /nfs/dbraw/zinc/29/76/93/522297693.db2.gz RIAFSOILAQEMMV-GOSISDBHSA-N 1 1 354.454 1.618 50 0 FDAAMO O=C(c1cnccn1)N1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072475545 522297704 /nfs/dbraw/zinc/29/77/04/522297704.db2.gz RIAFSOILAQEMMV-GOSISDBHSA-N 1 1 354.454 1.618 50 0 FDAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775961 522754058 /nfs/dbraw/zinc/75/40/58/522754058.db2.gz BOCPZUJCZAOSJL-CYBMUJFWSA-N 1 1 353.426 1.223 50 0 FDAAMO O=C(c1ccco1)N1CCCN(c2nc(N3CCC[C@H](O)C3)cc[nH+]2)CC1 ZINC000065374286 522810727 /nfs/dbraw/zinc/81/07/27/522810727.db2.gz JVJQPAYQWFRMDQ-HNNXBMFYSA-N 1 1 371.441 1.383 50 0 FDAAMO O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000299785865 534669186 /nfs/dbraw/zinc/66/91/86/534669186.db2.gz KVAHBXGCTFPJNQ-INIZCTEOSA-N 1 1 366.425 1.988 50 0 FDAAMO CN(C)c1nc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc[nH+]1 ZINC000077193123 523263182 /nfs/dbraw/zinc/26/31/82/523263182.db2.gz RYSOECHKRHJATQ-UHFFFAOYSA-N 1 1 361.471 1.444 50 0 FDAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC000077299507 523289424 /nfs/dbraw/zinc/28/94/24/523289424.db2.gz KMNVDXZLIZTONS-RBUKOAKNSA-N 1 1 373.497 1.450 50 0 FDAAMO COC(=O)CCn1cc(CN2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000077425667 523331560 /nfs/dbraw/zinc/33/15/60/523331560.db2.gz NOZHZJCPHGUAKL-UHFFFAOYSA-N 1 1 357.458 1.862 50 0 FDAAMO CNC(=O)CC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077503420 523363801 /nfs/dbraw/zinc/36/38/01/523363801.db2.gz KIYOJGYZJMMVPR-IBGZPJMESA-N 1 1 359.474 1.126 50 0 FDAAMO COc1cccc(OCc2cc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)[nH]n2)c1 ZINC000067540819 523487144 /nfs/dbraw/zinc/48/71/44/523487144.db2.gz NIJARDJNXNFTCA-CABCVRRESA-N 1 1 356.426 1.964 50 0 FDAAMO C[N@H+]1CCN2CCN(C(=O)c3ccc(NCc4ccncc4)cc3)C[C@H]2C1 ZINC000244673973 523930705 /nfs/dbraw/zinc/93/07/05/523930705.db2.gz HZBQWECOOAUZII-HXUWFJFHSA-N 1 1 365.481 1.766 50 0 FDAAMO O=C(c1ccccc1-n1cnnc1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000299797396 534747678 /nfs/dbraw/zinc/74/76/78/534747678.db2.gz OSJDUSVJTRZQMI-KRWDZBQOSA-N 1 1 369.469 1.984 50 0 FDAAMO Cc1cc(C)n(CC(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c(=O)n1 ZINC000082091534 524208704 /nfs/dbraw/zinc/20/87/04/524208704.db2.gz IRMQUAWIFHADAQ-GOSISDBHSA-N 1 1 354.454 1.375 50 0 FDAAMO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CCC[C@@H](C)[C@@H]3CO)CC2)c1 ZINC000089669495 524396166 /nfs/dbraw/zinc/39/61/66/524396166.db2.gz WAFQNHPRKBNSTK-QUCCMNQESA-N 1 1 359.514 1.732 50 0 FDAAMO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(=O)N1c1ccccc1 ZINC000089920108 524543313 /nfs/dbraw/zinc/54/33/13/524543313.db2.gz HEWLOBAUKYCMNA-LZQZEXGQSA-N 1 1 371.481 1.940 50 0 FDAAMO O=C(CN1CCOC1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091381111 524696352 /nfs/dbraw/zinc/69/63/52/524696352.db2.gz NUPNCMNLWJELFS-RBUKOAKNSA-N 1 1 371.481 1.994 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)CC[N@@H+](C)[C@H]1CCN(C)C1 ZINC000091434050 524703077 /nfs/dbraw/zinc/70/30/77/524703077.db2.gz BVSYFHAOJBJXGF-INIZCTEOSA-N 1 1 357.458 1.721 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000091434050 524703086 /nfs/dbraw/zinc/70/30/86/524703086.db2.gz BVSYFHAOJBJXGF-INIZCTEOSA-N 1 1 357.458 1.721 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000091434050 524703095 /nfs/dbraw/zinc/70/30/95/524703095.db2.gz BVSYFHAOJBJXGF-INIZCTEOSA-N 1 1 357.458 1.721 50 0 FDAAMO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091473919 524710119 /nfs/dbraw/zinc/71/01/19/524710119.db2.gz IQNPMXAZNCGWQA-IAGOWNOFSA-N 1 1 371.481 1.797 50 0 FDAAMO CCn1cc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@@H+](CC2CC2)C3)c(C)n1 ZINC000091462305 524711045 /nfs/dbraw/zinc/71/10/45/524711045.db2.gz KYDXECPQUDVICP-HZPDHXFCSA-N 1 1 352.504 1.706 50 0 FDAAMO COCCN1CC[C@]2(CN(Cc3ccsc3)CC[N@H+]2C)CCC1=O ZINC000091535661 524722524 /nfs/dbraw/zinc/72/25/24/524722524.db2.gz SGHIKDBOXLYKDF-SFHVURJKSA-N 1 1 351.516 1.893 50 0 FDAAMO CCc1c(C)scc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091657181 524754391 /nfs/dbraw/zinc/75/43/91/524754391.db2.gz AYFZBPYSYCNHCA-HUUCEWRRSA-N 1 1 352.500 1.632 50 0 FDAAMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)CC1 ZINC000091737396 524769899 /nfs/dbraw/zinc/76/98/99/524769899.db2.gz AHFFIGAGSPYPDF-UHFFFAOYSA-N 1 1 351.472 1.295 50 0 FDAAMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3CCC3)cc2)CC1 ZINC000091737396 524769911 /nfs/dbraw/zinc/76/99/11/524769911.db2.gz AHFFIGAGSPYPDF-UHFFFAOYSA-N 1 1 351.472 1.295 50 0 FDAAMO CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)CCn1cc[nH+]c1CC ZINC000091725377 524770069 /nfs/dbraw/zinc/77/00/69/524770069.db2.gz NAQPIBYOJPRSAL-KBPBESRZSA-N 1 1 356.492 1.012 50 0 FDAAMO C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Cn4cccn4)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000091737205 524770340 /nfs/dbraw/zinc/77/03/40/524770340.db2.gz DATJHODAUAKVIZ-ICSRJNTNSA-N 1 1 354.454 1.770 50 0 FDAAMO C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cn4cccn4)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000091737205 524770348 /nfs/dbraw/zinc/77/03/48/524770348.db2.gz DATJHODAUAKVIZ-ICSRJNTNSA-N 1 1 354.454 1.770 50 0 FDAAMO C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cn4cccn4)cc3)C[C@@]2(C(=O)[O-])C1 ZINC000091737205 524770358 /nfs/dbraw/zinc/77/03/58/524770358.db2.gz DATJHODAUAKVIZ-ICSRJNTNSA-N 1 1 354.454 1.770 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CO ZINC000091792967 524783008 /nfs/dbraw/zinc/78/30/08/524783008.db2.gz ANQLUGLPFBRANX-HUUCEWRRSA-N 1 1 374.403 1.700 50 0 FDAAMO CC(C)(C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2)N1CCOCC1 ZINC000091859727 524800376 /nfs/dbraw/zinc/80/03/76/524800376.db2.gz FNBINIHVXDORAD-DLBZAZTESA-N 1 1 373.501 1.124 50 0 FDAAMO CC(=O)N1CCC([N@@H+]2C[C@H](NC(=O)c3cccnn3)[C@@H](C(C)C)C2)CC1 ZINC000091943405 524815633 /nfs/dbraw/zinc/81/56/33/524815633.db2.gz DYXUFEMMFPCGHC-AEFFLSMTSA-N 1 1 359.474 1.174 50 0 FDAAMO Cc1ncsc1CCC(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091950865 524816744 /nfs/dbraw/zinc/81/67/44/524816744.db2.gz GNZVJMUNWNTLKA-HZPDHXFCSA-N 1 1 367.515 1.173 50 0 FDAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@@H]1CO ZINC000092022806 524830158 /nfs/dbraw/zinc/83/01/58/524830158.db2.gz KGOXKBNNSOLBAK-CHWSQXEVSA-N 1 1 360.376 1.363 50 0 FDAAMO COc1ccccc1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](CC(=O)N(C)C)C2 ZINC000092045704 524832670 /nfs/dbraw/zinc/83/26/70/524832670.db2.gz REGLFXQYOCVQLN-FUHWJXTLSA-N 1 1 373.497 1.639 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(CO)o3)C2)CN1CCc1c[nH]cn1 ZINC000092077171 524845647 /nfs/dbraw/zinc/84/56/47/524845647.db2.gz UEAPPPXAOSZFCB-HXUWFJFHSA-N 1 1 372.469 1.942 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(CO)o3)C2)CN1CCc1cnc[nH]1 ZINC000092077171 524845658 /nfs/dbraw/zinc/84/56/58/524845658.db2.gz UEAPPPXAOSZFCB-HXUWFJFHSA-N 1 1 372.469 1.942 50 0 FDAAMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(CO)o3)C2)CN1CCc1cnc[nH]1 ZINC000092077171 524845670 /nfs/dbraw/zinc/84/56/70/524845670.db2.gz UEAPPPXAOSZFCB-HXUWFJFHSA-N 1 1 372.469 1.942 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)CCc3cccs3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091664504 524970290 /nfs/dbraw/zinc/97/02/90/524970290.db2.gz JICQSRHYYDKIST-YYIAUSFCSA-N 1 1 366.527 1.857 50 0 FDAAMO O=C(c1c[nH]c(=O)[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095354250 525030650 /nfs/dbraw/zinc/03/06/50/525030650.db2.gz DDDVLXIUEHKXTM-XJKSGUPXSA-N 1 1 352.438 1.407 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000095361842 525036183 /nfs/dbraw/zinc/03/61/83/525036183.db2.gz ANKBACURIFRCJT-UHFFFAOYSA-N 1 1 361.490 1.616 50 0 FDAAMO Cc1ccc([C@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)[NH+](C)C)cc1 ZINC000095363640 525038370 /nfs/dbraw/zinc/03/83/70/525038370.db2.gz BDANKJBCQGRXRR-GOSISDBHSA-N 1 1 354.454 1.910 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1C ZINC000095370189 525043623 /nfs/dbraw/zinc/04/36/23/525043623.db2.gz XHPSUGPNPDMALO-AWEZNQCLSA-N 1 1 366.429 1.178 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000095370408 525044160 /nfs/dbraw/zinc/04/41/60/525044160.db2.gz SJDSDGJCINIQMQ-NVXWUHKLSA-N 1 1 374.510 1.937 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)[nH]n1 ZINC000095371148 525044526 /nfs/dbraw/zinc/04/45/26/525044526.db2.gz MNPMMCYGUDCDKR-IBGZPJMESA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n[nH]1 ZINC000095371148 525044536 /nfs/dbraw/zinc/04/45/36/525044536.db2.gz MNPMMCYGUDCDKR-IBGZPJMESA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n[nH]1 ZINC000095371148 525044546 /nfs/dbraw/zinc/04/45/46/525044546.db2.gz MNPMMCYGUDCDKR-IBGZPJMESA-N 1 1 359.474 1.267 50 0 FDAAMO COCC(=O)N1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)CC1 ZINC000095497664 525081577 /nfs/dbraw/zinc/08/15/77/525081577.db2.gz RTUGVDULLBFEFH-MRXNPFEDSA-N 1 1 363.458 1.199 50 0 FDAAMO COc1cccc(C[N@@H+](C)CC2CC2)c1OC[C@H](O)CN1CCOCC1 ZINC000095504129 525089014 /nfs/dbraw/zinc/08/90/14/525089014.db2.gz UZZGRQHZLPQJFD-GOSISDBHSA-N 1 1 364.486 1.609 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H](c3ccccc3C)[NH+](C)C)CC2)no1 ZINC000095519022 525097776 /nfs/dbraw/zinc/09/77/76/525097776.db2.gz UIOVZAVEHCRSFJ-GOSISDBHSA-N 1 1 357.458 1.634 50 0 FDAAMO O=C(Cc1ccc2c(c1)OCO2)N1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095526142 525103495 /nfs/dbraw/zinc/10/34/95/525103495.db2.gz UOAVHQYGHQRTIK-GOSISDBHSA-N 1 1 368.433 1.663 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000095943234 525109894 /nfs/dbraw/zinc/10/98/94/525109894.db2.gz RBIDUIPRTPKGNJ-QAPCUYQASA-N 1 1 362.433 1.945 50 0 FDAAMO Cn1cc(-c2ncc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)s2)cn1 ZINC000178105763 525384370 /nfs/dbraw/zinc/38/43/70/525384370.db2.gz YUYRBGFOBJEIGZ-CYBMUJFWSA-N 1 1 361.471 1.338 50 0 FDAAMO CSc1ccccc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091289009 526148364 /nfs/dbraw/zinc/14/83/64/526148364.db2.gz AUCMYTDSTWUXIC-HZPDHXFCSA-N 1 1 364.511 1.811 50 0 FDAAMO O=C(CCn1c(=O)oc2ccc(Cl)cc21)NCCC[NH+]1CCOCC1 ZINC000020589649 526668794 /nfs/dbraw/zinc/66/87/94/526668794.db2.gz QEMZUJIVNLTIOD-UHFFFAOYSA-N 1 1 367.833 1.477 50 0 FDAAMO O=C(c1ccccc1Br)N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000085436624 526801460 /nfs/dbraw/zinc/80/14/60/526801460.db2.gz YVVBIFOMFLZDLR-OAHLLOKOSA-N 1 1 353.260 1.978 50 0 FDAAMO O=C(c1cccs1)N1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000082230557 526837821 /nfs/dbraw/zinc/83/78/21/526837821.db2.gz PYQATJUBDCCUJS-UHFFFAOYSA-N 1 1 359.455 1.337 50 0 FDAAMO O=C(COCc1cc(-c2cccs2)on1)NCCC[NH+]1CCOCC1 ZINC000020479901 526940165 /nfs/dbraw/zinc/94/01/65/526940165.db2.gz HEFHJZUSTVAORL-UHFFFAOYSA-N 1 1 365.455 1.758 50 0 FDAAMO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000245237309 527321639 /nfs/dbraw/zinc/32/16/39/527321639.db2.gz IXOYMMSJIYBWBJ-KGLIPLIRSA-N 1 1 351.472 1.785 50 0 FDAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)n1 ZINC000080338748 527457649 /nfs/dbraw/zinc/45/76/49/527457649.db2.gz OAUHXXFDGPGASV-WFASDCNBSA-N 1 1 359.455 1.770 50 0 FDAAMO Nc1nc(CN2CC[NH+](Cc3ccccc3)CC2)nc(N2CCCCC2)n1 ZINC000019944401 527550689 /nfs/dbraw/zinc/55/06/89/527550689.db2.gz KODXHLKHJMMXKF-UHFFFAOYSA-N 1 1 367.501 1.762 50 0 FDAAMO Cc1nn(C)c(C)c1CN(CCO)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000091452795 527627979 /nfs/dbraw/zinc/62/79/79/527627979.db2.gz CGXWTZDQYXOXTE-LJQANCHMSA-N 1 1 358.486 1.969 50 0 FDAAMO CCN1C[C@@H](CN(C)C(=O)c2ccc(NC(=O)C[NH+](C)C)cc2)CC1=O ZINC000299798942 527935793 /nfs/dbraw/zinc/93/57/93/527935793.db2.gz WLOJSFXSFSNPLX-CQSZACIVSA-N 1 1 360.458 1.127 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNS(=O)(=O)N3CCCCCC3)cc2C1 ZINC000299800545 528488029 /nfs/dbraw/zinc/48/80/29/528488029.db2.gz HDUWVRGIBFNYQO-UHFFFAOYSA-N 1 1 369.535 1.709 50 0 FDAAMO COc1ccc(CCNC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Cl)c1 ZINC000186458697 536234768 /nfs/dbraw/zinc/23/47/68/536234768.db2.gz CUBVSWJWVSENGU-ZIAGYGMSSA-N 1 1 369.893 1.988 50 0 FDAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cc(F)ccc1F ZINC000189096752 536997253 /nfs/dbraw/zinc/99/72/53/536997253.db2.gz BZXVJIJMPQCMRB-CYBMUJFWSA-N 1 1 355.429 1.994 50 0 FDAAMO CC(C)C(=O)N1CCc2nnc([C@H]3CC[N@@H+](Cc4cccnc4)C3)n2CC1 ZINC000257190491 537252897 /nfs/dbraw/zinc/25/28/97/537252897.db2.gz MWCVRLLNDBJEPT-KRWDZBQOSA-N 1 1 368.485 1.703 50 0 FDAAMO CC[NH+]1CCN(c2ccc(C(=O)N(CCO)CC(F)F)cc2F)CC1 ZINC000194397692 537275174 /nfs/dbraw/zinc/27/51/74/537275174.db2.gz VINBOAIHIYWKRP-UHFFFAOYSA-N 1 1 359.392 1.667 50 0 FDAAMO c1cn(-c2ccc(C[N@H+]3CCCO[C@H](CN4CCOCC4)C3)cc2)cn1 ZINC000215810771 537440872 /nfs/dbraw/zinc/44/08/72/537440872.db2.gz VALXMQPQLALZTD-HXUWFJFHSA-N 1 1 356.470 1.795 50 0 FDAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)Cc1cnc[nH]c1=O)c1ccccc1 ZINC000215937739 537443692 /nfs/dbraw/zinc/44/36/92/537443692.db2.gz KXEOHXADRRXZBG-QGZVFWFLSA-N 1 1 351.410 1.765 50 0 FDAAMO O=c1[nH]c2ccccc2cc1C[NH+]1CCC(N2CCN(CCO)CC2)CC1 ZINC000216165506 537446147 /nfs/dbraw/zinc/44/61/47/537446147.db2.gz PHGAXNDBOJFSOG-UHFFFAOYSA-N 1 1 370.497 1.102 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCCN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000217173596 537454505 /nfs/dbraw/zinc/45/45/05/537454505.db2.gz FAHTXRZZZOQCDX-KRWDZBQOSA-N 1 1 369.469 1.072 50 0 FDAAMO Cn1c(CO)nnc1[C@H]1CCCN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000217173596 537454511 /nfs/dbraw/zinc/45/45/11/537454511.db2.gz FAHTXRZZZOQCDX-KRWDZBQOSA-N 1 1 369.469 1.072 50 0 FDAAMO CS(=O)(=O)NC1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000219314957 537475719 /nfs/dbraw/zinc/47/57/19/537475719.db2.gz YMPAAMYEGMDXJY-INIZCTEOSA-N 1 1 365.499 1.016 50 0 FDAAMO O=C(N[C@@H]1COCC[C@H]1O)c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000223110951 537519523 /nfs/dbraw/zinc/51/95/23/537519523.db2.gz FAIXGXYPWYFANG-QZTJIDSGSA-N 1 1 356.422 1.718 50 0 FDAAMO O=C(N[C@@H]1COCC[C@H]1O)c1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000223110951 537519533 /nfs/dbraw/zinc/51/95/33/537519533.db2.gz FAIXGXYPWYFANG-QZTJIDSGSA-N 1 1 356.422 1.718 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000223216834 537520589 /nfs/dbraw/zinc/52/05/89/537520589.db2.gz WOGNCANLXZISHA-DLBZAZTESA-N 1 1 372.469 1.140 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)CC2)no1 ZINC000223700247 537530968 /nfs/dbraw/zinc/53/09/68/537530968.db2.gz QTHCNBJXEDFCHP-UHFFFAOYSA-N 1 1 355.442 1.081 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)CC2)no1 ZINC000223700247 537530982 /nfs/dbraw/zinc/53/09/82/537530982.db2.gz QTHCNBJXEDFCHP-UHFFFAOYSA-N 1 1 355.442 1.081 50 0 FDAAMO CCc1ncc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000230190583 537579448 /nfs/dbraw/zinc/57/94/48/537579448.db2.gz DCOYVUGZYQHQBQ-OAQYLSRUSA-N 1 1 371.529 1.948 50 0 FDAAMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)CCCN1C ZINC000285155583 537637613 /nfs/dbraw/zinc/63/76/13/537637613.db2.gz GGECAQPFKQIUOB-KBXCAEBGSA-N 1 1 352.442 1.881 50 0 FDAAMO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(C)(C)N1CC[NH+](C)CC1 ZINC000239762091 537645302 /nfs/dbraw/zinc/64/53/02/537645302.db2.gz CKUIVSKXVAOTFK-OAHLLOKOSA-N 1 1 370.538 1.774 50 0 FDAAMO NC(=O)c1ccc(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000240824940 537646052 /nfs/dbraw/zinc/64/60/52/537646052.db2.gz QMLBWCYOBSKMHS-UHFFFAOYSA-N 1 1 353.422 1.708 50 0 FDAAMO Cc1csc(NC(=O)[C@@H](C)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1 ZINC000244673942 537650477 /nfs/dbraw/zinc/65/04/77/537650477.db2.gz HYNBBWFGWHFAHQ-CYBMUJFWSA-N 1 1 365.503 1.065 50 0 FDAAMO O=C([C@H]1CCCO1)N1CCC([NH2+]Cc2nc(Cc3ccccc3)no2)CC1 ZINC000584886478 551565226 /nfs/dbraw/zinc/56/52/26/551565226.db2.gz CIDWTAZPIHSWTC-QGZVFWFLSA-N 1 1 370.453 1.920 50 0 FDAAMO CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2c(C)ccn(C)c2=O)C1 ZINC000626431285 557081132 /nfs/dbraw/zinc/08/11/32/557081132.db2.gz MVMTXAVOJQZOAE-HRCADAONSA-N 1 1 362.474 1.799 50 0 FDAAMO Cn1nncc1C[N@H+]1C[C@H]2COCC[C@]2(C(=O)NCC2=CCCCC2)C1 ZINC000685940287 571099889 /nfs/dbraw/zinc/09/98/89/571099889.db2.gz CHVMNSPEQUKWAT-LPHOPBHVSA-N 1 1 359.474 1.270 50 0 FDAAMO CN(C)S(=O)(=O)CCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000244715819 571115116 /nfs/dbraw/zinc/11/51/16/571115116.db2.gz LCYHYYSQYNYMIK-UHFFFAOYSA-N 1 1 368.528 1.700 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)[C@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000252489610 571133018 /nfs/dbraw/zinc/13/30/18/571133018.db2.gz JUSCYEZYNHVJFB-OAQYLSRUSA-N 1 1 355.482 1.954 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000150848564 571160359 /nfs/dbraw/zinc/16/03/59/571160359.db2.gz ARBOURIQCVZJII-LBPRGKRZSA-N 1 1 366.405 1.952 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cc(F)cc2c1NC(=O)CC2 ZINC000426369462 571215875 /nfs/dbraw/zinc/21/58/75/571215875.db2.gz YNEXKLMMPTVQKV-GJZGRUSLSA-N 1 1 364.421 1.940 50 0 FDAAMO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1cncc(F)c1 ZINC000426548425 571231471 /nfs/dbraw/zinc/23/14/71/571231471.db2.gz DQQCPKWMVACXAJ-IPFXWSOASA-N 1 1 366.440 1.518 50 0 FDAAMO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)N(CCO)Cc1ccccc1F ZINC000426593916 571232683 /nfs/dbraw/zinc/23/26/83/571232683.db2.gz YUSIXJAAJFUDDJ-MRXNPFEDSA-N 1 1 353.438 1.176 50 0 FDAAMO O=S(=O)(CCOc1ccccc1)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000670439659 571348286 /nfs/dbraw/zinc/34/82/86/571348286.db2.gz HZWZFNULRUCKNM-INIZCTEOSA-N 1 1 356.488 1.222 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(F)c(Cl)c1 ZINC000670439972 571348565 /nfs/dbraw/zinc/34/85/65/571348565.db2.gz GGXAIKKTPDPZMT-LLVKDONJSA-N 1 1 350.843 1.462 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(F)c(Cl)c1 ZINC000670439972 571348566 /nfs/dbraw/zinc/34/85/66/571348566.db2.gz GGXAIKKTPDPZMT-LLVKDONJSA-N 1 1 350.843 1.462 50 0 FDAAMO CC(C)/C=C/C[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012328538 670612137 /nfs/dbraw/zinc/61/21/37/670612137.db2.gz YHLHALKOMOHLIU-MOEXGYKKSA-N 1 1 369.535 1.595 50 0 FDAAMO CC[N@H+](Cc1ccncc1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000015074261 670627002 /nfs/dbraw/zinc/62/70/02/670627002.db2.gz LBWIHNNIYNXUGR-ROUUACIJSA-N 1 1 361.467 1.338 50 0 FDAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000015074261 670627006 /nfs/dbraw/zinc/62/70/06/670627006.db2.gz LBWIHNNIYNXUGR-ROUUACIJSA-N 1 1 361.467 1.338 50 0 FDAAMO CC[NH+]1CCN(c2nc3c(s2)CN(C(=O)c2ccccn2)CC3)CC1 ZINC000169751836 672039336 /nfs/dbraw/zinc/03/93/36/672039336.db2.gz JZLIERMGARGYKT-UHFFFAOYSA-N 1 1 357.483 1.879 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccccc1 ZINC000279346985 675280221 /nfs/dbraw/zinc/28/02/21/675280221.db2.gz CDJVHRIHPHYPIJ-IRXDYDNUSA-N 1 1 365.499 1.316 50 0 FDAAMO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1CO ZINC000257187715 793971783 /nfs/dbraw/zinc/97/17/83/793971783.db2.gz LZPPOTGYTACXAG-HNAYVOBHSA-N 1 1 357.454 1.298 50 0 FDAAMO CC(C)[N@@H+]1CCc2nnc(C3CCN(C(=O)c4cc[nH]n4)CC3)n2CC1 ZINC000675015082 795226753 /nfs/dbraw/zinc/22/67/53/795226753.db2.gz QMTOGNRJXFUECI-UHFFFAOYSA-N 1 1 357.462 1.288 50 0 FDAAMO CC(C)[N@H+]1CCc2nnc(C3CCN(C(=O)c4ccn[nH]4)CC3)n2CC1 ZINC000675015082 795226758 /nfs/dbraw/zinc/22/67/58/795226758.db2.gz QMTOGNRJXFUECI-UHFFFAOYSA-N 1 1 357.462 1.288 50 0 FDAAMO CC(C)[N@@H+]1CCc2nnc(C3CCN(C(=O)c4ccn[nH]4)CC3)n2CC1 ZINC000675015082 795226761 /nfs/dbraw/zinc/22/67/61/795226761.db2.gz QMTOGNRJXFUECI-UHFFFAOYSA-N 1 1 357.462 1.288 50 0 FDAAMO CC(=O)N1CCC([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]2CO)CC1 ZINC000675021891 795248066 /nfs/dbraw/zinc/24/80/66/795248066.db2.gz UCFWRTSPOSHSGK-PMACEKPBSA-N 1 1 358.482 1.920 50 0 FDAAMO O=S(=O)(Cc1ccon1)N1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000585080114 809999697 /nfs/dbraw/zinc/99/96/97/809999697.db2.gz LHIVFEJCSKTWSX-CYBMUJFWSA-N 1 1 363.430 1.948 50 0 FDAAMO Cc1cc(C)nc(-c2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)n1 ZINC000426643045 811511251 /nfs/dbraw/zinc/51/12/51/811511251.db2.gz UDWZXZQHZWJPCG-GOSISDBHSA-N 1 1 353.470 1.736 50 0 FDAAMO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1cccc(Cl)c1)CC2 ZINC000169751628 864484043 /nfs/dbraw/zinc/48/40/43/864484043.db2.gz YKIGPNTYACBNPV-UHFFFAOYSA-N 1 1 374.872 1.861 50 0 FDAAMO O=C(COc1ccc(F)cc1)N1CCC2(C[C@@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000169787686 864518409 /nfs/dbraw/zinc/51/84/09/864518409.db2.gz VLUNBRCJJLFUHP-MRXNPFEDSA-N 1 1 361.417 1.017 50 0 FDAAMO Cc1cccc(N2CCC(NC(=O)CNC(=O)c3ccccn3)CC2)[nH+]1 ZINC000172552675 865687398 /nfs/dbraw/zinc/68/73/98/865687398.db2.gz GSWRJIJQQFLDSZ-UHFFFAOYSA-N 1 1 353.426 1.300 50 0 FDAAMO C[N@@H+](C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O)C1CCOCC1 ZINC000012455813 882109775 /nfs/dbraw/zinc/10/97/75/882109775.db2.gz BXEWYLDLPVGGPR-LJQANCHMSA-N 1 1 368.424 1.929 50 0 FDAAMO Cc1cc(C[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)on1 ZINC000011812792 873766891 /nfs/dbraw/zinc/76/68/91/873766891.db2.gz QNXNCAJZYRJSCC-QGZVFWFLSA-N 1 1 361.442 1.345 50 0 FDAAMO COC[C@H]1C[N@@H+](C)CC12CCN(S(=O)(=O)c1cccc(OC)c1)CC2 ZINC000169783780 907107475 /nfs/dbraw/zinc/10/74/75/907107475.db2.gz HQZUKYNJVAAWLB-OAHLLOKOSA-N 1 1 368.499 1.674 50 0 FDAAMO CC(C)CN1C[C@H](C(=O)Nc2ccccc2NC(=O)C[NH+](C)C)CC1=O ZINC000821236044 919590802 /nfs/dbraw/zinc/59/08/02/919590802.db2.gz CMRDAEZZRQIQQV-CQSZACIVSA-N 1 1 360.458 1.630 50 0 FDAAMO CCc1c(C)[nH]n(-c2cccc(C(=O)NCCN3CC[NH2+]CC3)c2)c1=O ZINC000823488623 921897794 /nfs/dbraw/zinc/89/77/94/921897794.db2.gz VWHMZDICWVERBX-UHFFFAOYSA-N 1 1 357.458 1.084 50 0 FDAAMO C[N@H+]1CCC[C@@H](NC(=O)N(CCCn2ccnc2)Cc2ccncc2)C1 ZINC000823770593 922048231 /nfs/dbraw/zinc/04/82/31/922048231.db2.gz HBWCPVLLZMFNAT-GOSISDBHSA-N 1 1 356.474 1.974 50 0 FDAAMO CC(=O)N1CCC([N@H+]2CC[C@H](CO)[C@H](NC(=O)c3ccccc3)C2)CC1 ZINC000581799174 927582955 /nfs/dbraw/zinc/58/29/55/927582955.db2.gz KSTQDWLYOPNGHM-IEBWSBKVSA-N 1 1 359.470 1.110 50 0 FDAAMO O=C(NCCCN1CCCC1=O)[C@@]1(CCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000581811648 927597433 /nfs/dbraw/zinc/59/74/33/927597433.db2.gz XHLMVXIIRYLLIF-OAQYLSRUSA-N 1 1 373.497 1.390 50 0 FDAAMO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](c4nc(N(C)C)no4)C3)cc(=O)n12 ZINC000585080285 943760896 /nfs/dbraw/zinc/76/08/96/943760896.db2.gz YKWFGACYQPWQLQ-CQSZACIVSA-N 1 1 368.441 1.832 50 0 FDAAMO CC(=O)N1CC[NH+](C[C@H]2CC[C@@H](Cc3cnc4ccccc4n3)O2)CC1 ZINC000952854448 960169973 /nfs/dbraw/zinc/16/99/73/960169973.db2.gz VZRLIMFYBOREJT-ZWKOTPCHSA-N 1 1 354.454 1.884 50 0 FDAAMO C[NH+]1CCN(C2(CNC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CCCC2)CC1 ZINC000952977695 960274624 /nfs/dbraw/zinc/27/46/24/960274624.db2.gz NXVNENULKCHWOX-INIZCTEOSA-N 1 1 364.534 1.310 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000952980135 960279448 /nfs/dbraw/zinc/27/94/48/960279448.db2.gz XZTJHFGKVGRBTE-ZDUSSCGKSA-N 1 1 360.389 1.294 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000952968675 960283625 /nfs/dbraw/zinc/28/36/25/960283625.db2.gz DCPLXLNHSRWKQQ-DLBZAZTESA-N 1 1 361.461 1.804 50 0 FDAAMO Cc1ccc(NC(=O)C[NH+](C)C)c(NC(=O)CNC(=O)c2ccccc2)c1 ZINC000952981469 960295687 /nfs/dbraw/zinc/29/56/87/960295687.db2.gz YRDRWQFZFXOASL-UHFFFAOYSA-N 1 1 368.437 1.864 50 0 FDAAMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CCCC[N@H+]2C)c2nonc21 ZINC000952981617 960295729 /nfs/dbraw/zinc/29/57/29/960295729.db2.gz JIBJEFBPCDZPBU-ZDUSSCGKSA-N 1 1 352.460 1.944 50 0 FDAAMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N[C@H]1CCc2n[nH]cc2C1 ZINC000122215306 999804606 /nfs/dbraw/zinc/80/46/06/999804606.db2.gz WGVSLKZMCOGAHF-SFHVURJKSA-N 1 1 369.469 1.963 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)COc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091410951 1008016102 /nfs/dbraw/zinc/01/61/02/1008016102.db2.gz UCGWPWSCVXRKRZ-HXUWFJFHSA-N 1 1 359.470 1.611 50 0 FDAAMO CN(C)c1ncccc1C(=O)N1CCCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000299783278 529813631 /nfs/dbraw/zinc/81/36/31/529813631.db2.gz ZYOFBRFQGCIHJF-QGZVFWFLSA-N 1 1 359.518 1.780 50 0 FDAAMO CN1CCN(CC2(CNC(=O)c3cccc([C@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC000215063563 222641030 /nfs/dbraw/zinc/64/10/30/222641030.db2.gz QCDHUBWISYYNMH-FQEVSTJZSA-N 1 1 370.541 1.911 50 0 FDAAMO Cc1cc(CNC(=O)c2cccc(-c3cc(NC4CC4)nc(N)[nH+]3)c2)on1 ZINC000534634879 540392143 /nfs/dbraw/zinc/39/21/43/540392143.db2.gz KIOJIRWQPCZMBJ-UHFFFAOYSA-N 1 1 364.409 1.948 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cnn3cccnc23)c1 ZINC000534637710 540392765 /nfs/dbraw/zinc/39/27/65/540392765.db2.gz POIDTAOJIOIQRE-ROUUACIJSA-N 1 1 365.437 1.845 50 0 FDAAMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccco1 ZINC000006787454 219770254 /nfs/dbraw/zinc/77/02/54/219770254.db2.gz PWYZULVFDMUFPK-UHFFFAOYSA-N 1 1 365.411 1.653 50 0 FDAAMO COCCN1C[C@@H](C[NH+]2CCN(C(=O)c3cccs3)CC2)CC1=O ZINC000299766564 223086415 /nfs/dbraw/zinc/08/64/15/223086415.db2.gz FOPVCAQFZVWYNF-CQSZACIVSA-N 1 1 351.472 1.001 50 0 FDAAMO OC1CN(c2nc(NCCCc3ccccn3)cc([C@H]3CCOC3)[nH+]2)C1 ZINC000299766313 223085898 /nfs/dbraw/zinc/08/58/98/223085898.db2.gz IKRWVCNEQQDNNH-AWEZNQCLSA-N 1 1 355.442 1.601 50 0 FDAAMO CN(Cc1[nH]nc2c1CCCC2)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1 ZINC000012433468 219993216 /nfs/dbraw/zinc/99/32/16/219993216.db2.gz MOWVBPRZMUJFMM-GOSISDBHSA-N 1 1 373.501 1.380 50 0 FDAAMO O=C(CCn1cnnn1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012597153 220011818 /nfs/dbraw/zinc/01/18/18/220011818.db2.gz NEQHFCYCUZUYHD-FQEVSTJZSA-N 1 1 368.485 1.620 50 0 FDAAMO CCCNC(=O)[C@H](C)NC(=O)C[N@H+](C)CCOc1ccc(OC)cc1 ZINC000012746634 220023140 /nfs/dbraw/zinc/02/31/40/220023140.db2.gz URLKVDHERHURHY-AWEZNQCLSA-N 1 1 351.447 1.037 50 0 FDAAMO CCCNC(=O)[C@H](C)NC(=O)C[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000012746634 220023143 /nfs/dbraw/zinc/02/31/43/220023143.db2.gz URLKVDHERHURHY-AWEZNQCLSA-N 1 1 351.447 1.037 50 0 FDAAMO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000012743271 220023397 /nfs/dbraw/zinc/02/33/97/220023397.db2.gz MWAMATVTOQNEPE-MELADBBJSA-N 1 1 354.472 1.380 50 0 FDAAMO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000013058605 220056187 /nfs/dbraw/zinc/05/61/87/220056187.db2.gz MLNPRDZVLDBSOL-UHFFFAOYSA-N 1 1 361.467 1.125 50 0 FDAAMO C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000013058605 220056190 /nfs/dbraw/zinc/05/61/90/220056190.db2.gz MLNPRDZVLDBSOL-UHFFFAOYSA-N 1 1 361.467 1.125 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000014134694 220108835 /nfs/dbraw/zinc/10/88/35/220108835.db2.gz ASBBUSBOYMZPDH-UHFFFAOYSA-N 1 1 358.442 1.713 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000014134694 220108839 /nfs/dbraw/zinc/10/88/39/220108839.db2.gz ASBBUSBOYMZPDH-UHFFFAOYSA-N 1 1 358.442 1.713 50 0 FDAAMO CC(C)CN1C[C@H](OCc2cccc(F)c2)C[N@@H+]([C@@H](C)CO)CC1=O ZINC000014543137 220125270 /nfs/dbraw/zinc/12/52/70/220125270.db2.gz WVHVMRQHOUPREX-MAUKXSAKSA-N 1 1 352.450 1.892 50 0 FDAAMO CC(C)CN1C[C@H](OCc2cccc(F)c2)C[N@H+]([C@@H](C)CO)CC1=O ZINC000014543137 220125273 /nfs/dbraw/zinc/12/52/73/220125273.db2.gz WVHVMRQHOUPREX-MAUKXSAKSA-N 1 1 352.450 1.892 50 0 FDAAMO CCc1ccc(C[N@@H+](C)CCn2cc(C(=O)N3CCN(C)CC3)nn2)cc1 ZINC000015002642 220140775 /nfs/dbraw/zinc/14/07/75/220140775.db2.gz GOQMEVHARDBESS-UHFFFAOYSA-N 1 1 370.501 1.360 50 0 FDAAMO Cc1nn(C)cc1C[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000015077051 220146824 /nfs/dbraw/zinc/14/68/24/220146824.db2.gz DXKQCGOTUDKJBP-HXUWFJFHSA-N 1 1 374.460 1.853 50 0 FDAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCC1 ZINC000017178465 220208731 /nfs/dbraw/zinc/20/87/31/220208731.db2.gz SMRSCAQAXDAKQP-GOSISDBHSA-N 1 1 359.470 1.625 50 0 FDAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)NC1CCCC1 ZINC000017178465 220208736 /nfs/dbraw/zinc/20/87/36/220208736.db2.gz SMRSCAQAXDAKQP-GOSISDBHSA-N 1 1 359.470 1.625 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc(Cl)cc3)C[C@H]2O)CC1 ZINC000019789797 220295322 /nfs/dbraw/zinc/29/53/22/220295322.db2.gz FEHLCWNJRUBHLU-DSCOKBBTSA-N 1 1 363.889 1.562 50 0 FDAAMO Cn1nc(C(=O)NCCC[NH+]2CCOCC2)c(Cl)c1C(F)(F)F ZINC000020028507 220308221 /nfs/dbraw/zinc/30/82/21/220308221.db2.gz LEKXWASBRIRTCY-UHFFFAOYSA-N 1 1 354.760 1.544 50 0 FDAAMO C[NH+]1CCN(C(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)CC1 ZINC000020546732 220332415 /nfs/dbraw/zinc/33/24/15/220332415.db2.gz IYZFRKTYKFAIQQ-UHFFFAOYSA-N 1 1 369.469 1.372 50 0 FDAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc2ccc(F)cc2c1=O ZINC000055407460 221069575 /nfs/dbraw/zinc/06/95/75/221069575.db2.gz UZYOWZQLPAQIFU-ZIAGYGMSSA-N 1 1 360.433 1.772 50 0 FDAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1 ZINC000063852626 221143165 /nfs/dbraw/zinc/14/31/65/221143165.db2.gz SMNHVEXFVMFMMH-HNNXBMFYSA-N 1 1 365.499 1.688 50 0 FDAAMO O=C(c1ccco1)N1CCCN(C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063856905 221143849 /nfs/dbraw/zinc/14/38/49/221143849.db2.gz YLSYNKMLCPSGME-UYAOXDASSA-N 1 1 361.486 1.807 50 0 FDAAMO Cc1cc(C(F)(F)F)nc(CCNC(=O)CN2CCC[N@H+](C)CC2)n1 ZINC000065376326 221206417 /nfs/dbraw/zinc/20/64/17/221206417.db2.gz HGCFQZPREFNBIL-UHFFFAOYSA-N 1 1 359.396 1.100 50 0 FDAAMO COc1cccc2c1OCC(C[NH+]1CCC(NS(C)(=O)=O)CC1)=C2 ZINC000065398298 221212063 /nfs/dbraw/zinc/21/20/63/221212063.db2.gz IDHXJKKVHYRNJP-UHFFFAOYSA-N 1 1 352.456 1.485 50 0 FDAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCn2nc(C(=O)NC3CC3)cc2C1 ZINC000065461004 221222293 /nfs/dbraw/zinc/22/22/93/221222293.db2.gz FZQLDATVLHSGDD-ZDUSSCGKSA-N 1 1 370.457 1.699 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCn1ncc2ccccc2c1=O ZINC000065470376 221222803 /nfs/dbraw/zinc/22/28/03/221222803.db2.gz NXEDWRWYFLBNHL-IBGZPJMESA-N 1 1 362.433 1.569 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCn1ncc2ccccc2c1=O ZINC000065470376 221222805 /nfs/dbraw/zinc/22/28/05/221222805.db2.gz NXEDWRWYFLBNHL-IBGZPJMESA-N 1 1 362.433 1.569 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CC[N@H+](Cc1nc(-c3ccccc3)no1)CC2 ZINC000065491937 221225141 /nfs/dbraw/zinc/22/51/41/221225141.db2.gz GSRACXAVBDOJEM-UHFFFAOYSA-N 1 1 351.410 1.740 50 0 FDAAMO Cc1nc2c(c(=O)n1C)CC[N@@H+](Cc1nc(-c3ccccc3)no1)CC2 ZINC000065491937 221225144 /nfs/dbraw/zinc/22/51/44/221225144.db2.gz GSRACXAVBDOJEM-UHFFFAOYSA-N 1 1 351.410 1.740 50 0 FDAAMO COCC(=O)N1CCC[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000065526642 221230208 /nfs/dbraw/zinc/23/02/08/221230208.db2.gz YVEBTDORGDRBMK-UHFFFAOYSA-N 1 1 372.469 1.165 50 0 FDAAMO O=C(C[NH+]1CCC2(CC1)NC(c1ccccn1)=NO2)NC1CCCCC1 ZINC000067317451 221252295 /nfs/dbraw/zinc/25/22/95/221252295.db2.gz XZLQSNQVUUDZDN-UHFFFAOYSA-N 1 1 357.458 1.604 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000067741646 221279288 /nfs/dbraw/zinc/27/92/88/221279288.db2.gz GXEKLRHXAMDSCU-OAQYLSRUSA-N 1 1 370.497 1.967 50 0 FDAAMO O=C(N1CCOCC1)N1CCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067847457 221293701 /nfs/dbraw/zinc/29/37/01/221293701.db2.gz IOOOFKVQQNSWJD-UHFFFAOYSA-N 1 1 350.507 1.369 50 0 FDAAMO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067948090 221307852 /nfs/dbraw/zinc/30/78/52/221307852.db2.gz NIRNFGCVFDKWMY-UHFFFAOYSA-N 1 1 368.481 1.716 50 0 FDAAMO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)Cc3nccn3C)C2)CC1 ZINC000071422257 221347290 /nfs/dbraw/zinc/34/72/90/221347290.db2.gz UBHDJEIGUOJKCX-QGZVFWFLSA-N 1 1 361.534 1.963 50 0 FDAAMO CC(C)N1CCC([N@H+]2CCC[C@@H](C(=O)N(C)Cc3nccn3C)C2)CC1 ZINC000071422257 221347293 /nfs/dbraw/zinc/34/72/93/221347293.db2.gz UBHDJEIGUOJKCX-QGZVFWFLSA-N 1 1 361.534 1.963 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccc(O)c3)CC2)C1 ZINC000071736382 221357292 /nfs/dbraw/zinc/35/72/92/221357292.db2.gz YMAHUIKAJOLZDB-INIZCTEOSA-N 1 1 371.481 1.987 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3cccnn3)CC2)C1 ZINC000071748107 221360111 /nfs/dbraw/zinc/36/01/11/221360111.db2.gz DNCXAZBILGAGLW-AWEZNQCLSA-N 1 1 357.458 1.072 50 0 FDAAMO COCCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750102 221362312 /nfs/dbraw/zinc/36/23/12/221362312.db2.gz SYSOEANLECORPA-IBGZPJMESA-N 1 1 374.529 1.863 50 0 FDAAMO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000071759505 221366581 /nfs/dbraw/zinc/36/65/81/221366581.db2.gz BECOHZSKBWYKGL-CYBMUJFWSA-N 1 1 372.469 1.557 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC(=O)NC[C@@H]1C ZINC000071776995 221375524 /nfs/dbraw/zinc/37/55/24/221375524.db2.gz NSLJIQAJQFVQLW-HNNXBMFYSA-N 1 1 371.485 1.917 50 0 FDAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CCC(=O)NC[C@@H]1C ZINC000071776995 221375528 /nfs/dbraw/zinc/37/55/28/221375528.db2.gz NSLJIQAJQFVQLW-HNNXBMFYSA-N 1 1 371.485 1.917 50 0 FDAAMO CC(=O)N1CCc2cc(S(=O)(=O)NCC[NH+]3CCCCC3)ccc21 ZINC000071906067 221386868 /nfs/dbraw/zinc/38/68/68/221386868.db2.gz WSFVZXDPQDWILG-UHFFFAOYSA-N 1 1 351.472 1.360 50 0 FDAAMO COc1nccnc1-c1cccc(C(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000299774901 533270915 /nfs/dbraw/zinc/27/09/15/533270915.db2.gz IXLLOJSXEOOFLV-UHFFFAOYSA-N 1 1 356.426 1.292 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000077520652 132188940 /nfs/dbraw/zinc/18/89/40/132188940.db2.gz PZZZOYYUOSUSBU-UHFFFAOYSA-N 1 1 356.478 1.557 50 0 FDAAMO OCC[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC000078804466 132192280 /nfs/dbraw/zinc/19/22/80/132192280.db2.gz YGFZWFIOHBBNQS-UHFFFAOYSA-N 1 1 353.348 1.672 50 0 FDAAMO Cc1cc(N2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)nc(N)[nH+]1 ZINC000091620573 132202689 /nfs/dbraw/zinc/20/26/89/132202689.db2.gz RUGBNLDZPPSEAP-UHFFFAOYSA-N 1 1 367.457 1.381 50 0 FDAAMO Cc1ccc(N2CCC([N@H+]3C[C@H](CO)[C@H](CN4CCOCC4)C3)CC2)cc1 ZINC000091620578 132202768 /nfs/dbraw/zinc/20/27/68/132202768.db2.gz OYBUHOCEANKPPV-WOJBJXKFSA-N 1 1 373.541 1.836 50 0 FDAAMO Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000091707029 132203294 /nfs/dbraw/zinc/20/32/94/132203294.db2.gz OHHXECWVQXAUJH-OAHLLOKOSA-N 1 1 372.517 1.236 50 0 FDAAMO Cn1c(Cn2cccn2)nnc1[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000095365704 132208151 /nfs/dbraw/zinc/20/81/51/132208151.db2.gz VPDGWWWTXXFCGS-ZDUSSCGKSA-N 1 1 363.429 1.715 50 0 FDAAMO Cn1ncc(N2CC[NH+](Cc3cccn3Cc3cccnc3)CC2)cc1=O ZINC000019640833 132267468 /nfs/dbraw/zinc/26/74/68/132267468.db2.gz CGGGPKFKLZVUIX-UHFFFAOYSA-N 1 1 364.453 1.347 50 0 FDAAMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000013002148 132267474 /nfs/dbraw/zinc/26/74/74/132267474.db2.gz MOCSUWCZKSGIMC-KSSFIOAISA-N 1 1 353.422 1.959 50 0 FDAAMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 ZINC000013002148 132267477 /nfs/dbraw/zinc/26/74/77/132267477.db2.gz MOCSUWCZKSGIMC-KSSFIOAISA-N 1 1 353.422 1.959 50 0 FDAAMO Cc1[nH+]cn(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)c1C ZINC000215374507 132270342 /nfs/dbraw/zinc/27/03/42/132270342.db2.gz IOQWZGKPWHCSBR-UHFFFAOYSA-N 1 1 355.398 1.376 50 0 FDAAMO c1cnn(C[C@@H]2C[N@H+](Cc3cnc(N4CCCCC4)nc3)CCCO2)c1 ZINC000215943179 132270614 /nfs/dbraw/zinc/27/06/14/132270614.db2.gz HPTNMWIOHLCJIS-SFHVURJKSA-N 1 1 356.474 1.955 50 0 FDAAMO c1cnn(C[C@@H]2C[N@@H+](Cc3cnc(N4CCCCC4)nc3)CCCO2)c1 ZINC000215943179 132270616 /nfs/dbraw/zinc/27/06/16/132270616.db2.gz HPTNMWIOHLCJIS-SFHVURJKSA-N 1 1 356.474 1.955 50 0 FDAAMO Cc1nc2c(c(C)n1)C[C@H](C[NH+]1CCN(c3ccc4nccn4n3)CC1)O2 ZINC000244887875 132291709 /nfs/dbraw/zinc/29/17/09/132291709.db2.gz YPXQVTSCMYBDPL-OAHLLOKOSA-N 1 1 365.441 1.262 50 0 FDAAMO Cc1cccnc1C[C@@H](C)NC(=O)c1cnc(N2CC[NH+](C)CC2)nc1C ZINC000299773276 132299178 /nfs/dbraw/zinc/29/91/78/132299178.db2.gz CJLHZADWCMYCCI-OAHLLOKOSA-N 1 1 368.485 1.601 50 0 FDAAMO O=C(CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCOCC1 ZINC000060847415 132304170 /nfs/dbraw/zinc/30/41/70/132304170.db2.gz IDZNFPHPWBHHSS-UHFFFAOYSA-N 1 1 374.872 1.869 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nccnc3C)CC2)C1 ZINC000071388526 136139064 /nfs/dbraw/zinc/13/90/64/136139064.db2.gz RXQURMJFIKRMEB-MRXNPFEDSA-N 1 1 361.490 1.228 50 0 FDAAMO COc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071748352 136139997 /nfs/dbraw/zinc/13/99/97/136139997.db2.gz MQXFRDPSFGHTNY-INIZCTEOSA-N 1 1 373.501 1.788 50 0 FDAAMO CSCCC[N@@H+]1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 ZINC000072156621 136143017 /nfs/dbraw/zinc/14/30/17/136143017.db2.gz JZTMRWGUFYSYKN-UHFFFAOYSA-N 1 1 365.547 1.615 50 0 FDAAMO CSCCC[N@H+]1CCc2nc(N(C)C)nc(N3CCC(O)CC3)c2C1 ZINC000072156621 136143018 /nfs/dbraw/zinc/14/30/18/136143018.db2.gz JZTMRWGUFYSYKN-UHFFFAOYSA-N 1 1 365.547 1.615 50 0 FDAAMO CCNC(=O)CC[N@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072433102 136147222 /nfs/dbraw/zinc/14/72/22/136147222.db2.gz MZOFMNSAHCBELB-INIZCTEOSA-N 1 1 361.490 1.327 50 0 FDAAMO Nc1nc(NC2CC2)cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000072438789 136147590 /nfs/dbraw/zinc/14/75/90/136147590.db2.gz HWXWIQFSQBZZIU-KRWDZBQOSA-N 1 1 368.485 1.706 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)cc(N2CCOCC2)n1 ZINC000072475227 136149120 /nfs/dbraw/zinc/14/91/20/136149120.db2.gz VYBOERQCYQXPMV-OAHLLOKOSA-N 1 1 359.474 1.080 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)cc(N2CCOCC2)n1 ZINC000072475227 136149121 /nfs/dbraw/zinc/14/91/21/136149121.db2.gz VYBOERQCYQXPMV-OAHLLOKOSA-N 1 1 359.474 1.080 50 0 FDAAMO CNC(=O)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCO1 ZINC000181620303 174236875 /nfs/dbraw/zinc/23/68/75/174236875.db2.gz VTCQDAUBNPDWGU-DLBZAZTESA-N 1 1 366.506 1.188 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(F)c(OC)c(F)c2)C[N@@H+]1C ZINC000096135814 222039233 /nfs/dbraw/zinc/03/92/33/222039233.db2.gz KDAMPQNHIYERLI-WFASDCNBSA-N 1 1 369.412 1.644 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cc(F)c(OC)c(F)c2)C[N@H+]1C ZINC000096135814 222039237 /nfs/dbraw/zinc/03/92/37/222039237.db2.gz KDAMPQNHIYERLI-WFASDCNBSA-N 1 1 369.412 1.644 50 0 FDAAMO CN(CCc1nc(-c2c[nH]c3ccccc23)nn1CCO)[C@H]1CC[N@@H+](C)C1 ZINC000096150035 222051621 /nfs/dbraw/zinc/05/16/21/222051621.db2.gz GFFSPMVYSMAPIX-HNNXBMFYSA-N 1 1 368.485 1.597 50 0 FDAAMO CN1CC[C@H]([N@H+](C)CCc2nc(-c3c[nH]c4ccccc34)nn2CCO)C1 ZINC000096150035 222051623 /nfs/dbraw/zinc/05/16/23/222051623.db2.gz GFFSPMVYSMAPIX-HNNXBMFYSA-N 1 1 368.485 1.597 50 0 FDAAMO CN1CC[C@H]([N@@H+](C)CCc2nc(-c3c[nH]c4ccccc34)nn2CCO)C1 ZINC000096150035 222051626 /nfs/dbraw/zinc/05/16/26/222051626.db2.gz GFFSPMVYSMAPIX-HNNXBMFYSA-N 1 1 368.485 1.597 50 0 FDAAMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000096151598 222053609 /nfs/dbraw/zinc/05/36/09/222053609.db2.gz ZZOWWYDHVUUWIU-QWHCGFSZSA-N 1 1 352.460 1.343 50 0 FDAAMO NC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000096151509 222053716 /nfs/dbraw/zinc/05/37/16/222053716.db2.gz JCOQTPVDMKMATP-INIZCTEOSA-N 1 1 366.412 1.589 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000096347273 222116529 /nfs/dbraw/zinc/11/65/29/222116529.db2.gz PUPKGNUNAUHZIU-UHFFFAOYSA-N 1 1 372.450 1.361 50 0 FDAAMO CN1CCN(C(=O)c2cc(-c3ccccc3F)[nH]n2)CC12CC[NH2+]CC2 ZINC000097437022 222180567 /nfs/dbraw/zinc/18/05/67/222180567.db2.gz WMHCKIDTZVWMIM-UHFFFAOYSA-N 1 1 357.433 1.726 50 0 FDAAMO O=C(NCCNC(=O)[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1cccnc1 ZINC000097572270 222193098 /nfs/dbraw/zinc/19/30/98/222193098.db2.gz LEBISPIIEOHGTI-QGZVFWFLSA-N 1 1 358.486 1.972 50 0 FDAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](CC)CC3)C2=O)cc1 ZINC000100081977 222234451 /nfs/dbraw/zinc/23/44/51/222234451.db2.gz HOYJOMNQPVQDDA-MRXNPFEDSA-N 1 1 359.426 1.133 50 0 FDAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000330803993 259163699 /nfs/dbraw/zinc/16/36/99/259163699.db2.gz IQQMBQULKYASOG-KBPBESRZSA-N 1 1 357.248 1.319 50 0 FDAAMO C[N@H+]1CCO[C@H](C(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000330803993 259163700 /nfs/dbraw/zinc/16/37/00/259163700.db2.gz IQQMBQULKYASOG-KBPBESRZSA-N 1 1 357.248 1.319 50 0 FDAAMO C[C@@H](NC(=O)N(C)CCC[NH+]1CCOCC1)c1nc(-c2ccncc2)no1 ZINC000426379940 263568846 /nfs/dbraw/zinc/56/88/46/263568846.db2.gz ULRCOHPXMHCJNC-CQSZACIVSA-N 1 1 374.445 1.556 50 0 FDAAMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@H](C)C2)c(=O)[nH]c1=O ZINC000007340603 518414548 /nfs/dbraw/zinc/41/45/48/518414548.db2.gz RSFWPNUSTGJGQT-ZDUSSCGKSA-N 1 1 365.478 1.004 50 0 FDAAMO Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CC(C)=[NH+]N4C)n(C)c2=O)c1 ZINC000008706120 518482104 /nfs/dbraw/zinc/48/21/04/518482104.db2.gz JCHQDTPHERLIOF-UHFFFAOYSA-N 1 1 366.425 1.388 50 0 FDAAMO CCCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2)n(C)c1=O ZINC000008724524 518484180 /nfs/dbraw/zinc/48/41/80/518484180.db2.gz XDDJZBJXIHEFON-UHFFFAOYSA-N 1 1 366.425 1.703 50 0 FDAAMO Cc1ccc(Cn2c(=O)c3c(nc4n3[C@@H](C)C(C)=[NH+]N4C)n(C)c2=O)cc1 ZINC000008724534 518485007 /nfs/dbraw/zinc/48/50/07/518485007.db2.gz WNKUZFSNSXKJJA-ZDUSSCGKSA-N 1 1 366.425 1.640 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000008945076 518491671 /nfs/dbraw/zinc/49/16/71/518491671.db2.gz FFFONPNLRYVXGI-NSHDSACASA-N 1 1 372.263 1.994 50 0 FDAAMO Cn1cc(C[N@@H+](C)C[C@@H]2COCCO2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000014953843 518703922 /nfs/dbraw/zinc/70/39/22/518703922.db2.gz YHXWFBAWNRSFAH-MRXNPFEDSA-N 1 1 359.426 1.706 50 0 FDAAMO C[C@H]1CCCc2sc3nc(N4CC[NH+](CCO)CC4)n4ncnc4c3c21 ZINC000020503127 518850565 /nfs/dbraw/zinc/85/05/65/518850565.db2.gz YXNHIRUGHMZEDA-LBPRGKRZSA-N 1 1 372.498 1.893 50 0 FDAAMO COc1ccc(-c2nc3nc(C)cc(N4CC[NH+](CCO)CC4)n3n2)cc1 ZINC000021173696 518866332 /nfs/dbraw/zinc/86/63/32/518866332.db2.gz ZRWMDZLIUPFMRU-UHFFFAOYSA-N 1 1 368.441 1.223 50 0 FDAAMO CC1(C)CC[N@H+](Cc2cn(C[C@H]3CCCN(S(C)(=O)=O)C3)nn2)C1 ZINC000023153665 518933107 /nfs/dbraw/zinc/93/31/07/518933107.db2.gz CCKCKAVEKXTOHO-CQSZACIVSA-N 1 1 355.508 1.182 50 0 FDAAMO CC1(C)CC[N@@H+](Cc2cn(C[C@H]3CCCN(S(C)(=O)=O)C3)nn2)C1 ZINC000023153665 518933112 /nfs/dbraw/zinc/93/31/12/518933112.db2.gz CCKCKAVEKXTOHO-CQSZACIVSA-N 1 1 355.508 1.182 50 0 FDAAMO O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000023192118 518934663 /nfs/dbraw/zinc/93/46/63/518934663.db2.gz SZMAJDXVESZAHP-INIZCTEOSA-N 1 1 370.453 1.110 50 0 FDAAMO COc1ccc(NC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000024691798 519008414 /nfs/dbraw/zinc/00/84/14/519008414.db2.gz ILYVIAPPRJCOKQ-UHFFFAOYSA-N 1 1 360.458 1.857 50 0 FDAAMO COc1ccc(NC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000024691798 519008422 /nfs/dbraw/zinc/00/84/22/519008422.db2.gz ILYVIAPPRJCOKQ-UHFFFAOYSA-N 1 1 360.458 1.857 50 0 FDAAMO CCOC(=O)C1CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000025285503 519050927 /nfs/dbraw/zinc/05/09/27/519050927.db2.gz CKFMCERXPLWCFV-UHFFFAOYSA-N 1 1 373.497 1.606 50 0 FDAAMO CCOC(=O)C1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025285503 519050936 /nfs/dbraw/zinc/05/09/36/519050936.db2.gz CKFMCERXPLWCFV-UHFFFAOYSA-N 1 1 373.497 1.606 50 0 FDAAMO O=C(Nc1cccn2cnnc12)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299759669 534408379 /nfs/dbraw/zinc/40/83/79/534408379.db2.gz NXUFSCWRYPPELC-UHFFFAOYSA-N 1 1 351.414 1.864 50 0 FDAAMO O=C(Nc1cccn2cnnc12)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299759669 534408385 /nfs/dbraw/zinc/40/83/85/534408385.db2.gz NXUFSCWRYPPELC-UHFFFAOYSA-N 1 1 351.414 1.864 50 0 FDAAMO O=C(CNC(=O)c1ccccc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029840109 519324683 /nfs/dbraw/zinc/32/46/83/519324683.db2.gz XIRGTIHYDJKZSB-UHFFFAOYSA-N 1 1 351.450 1.981 50 0 FDAAMO C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H](c2ccccc2)C1 ZINC000030030260 519344199 /nfs/dbraw/zinc/34/41/99/519344199.db2.gz OTJYOHDBHWVHAL-OAHLLOKOSA-N 1 1 356.451 1.478 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)[C@@H](c2ccccc2)C1 ZINC000030030260 519344204 /nfs/dbraw/zinc/34/42/04/519344204.db2.gz OTJYOHDBHWVHAL-OAHLLOKOSA-N 1 1 356.451 1.478 50 0 FDAAMO O[C@@]12CCOC[C@@H]1C[N@@H+](Cc1cnc(N3CCCC3)nc1)[C@H]1CCOC[C@H]12 ZINC000299782899 534423077 /nfs/dbraw/zinc/42/30/77/534423077.db2.gz WRRATQCQZIGNSD-DMUMMCEESA-N 1 1 374.485 1.065 50 0 FDAAMO CCN1CC[NH+](CCCNC(=O)CN2c3ccccc3CCCC2=O)CC1 ZINC000033249590 519583390 /nfs/dbraw/zinc/58/33/90/519583390.db2.gz ZYPYHMNAIMIKGY-UHFFFAOYSA-N 1 1 372.513 1.500 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCN(c2ccc3c(c2)CCC3)C1=O ZINC000034695480 519596259 /nfs/dbraw/zinc/59/62/59/519596259.db2.gz IKPRDEXYCLVNOG-IBGZPJMESA-N 1 1 371.481 1.367 50 0 FDAAMO COc1ccccc1CNC(=O)[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485105 519608232 /nfs/dbraw/zinc/60/82/32/519608232.db2.gz ODCYKKLKNYSAMN-KDOFPFPSSA-N 1 1 367.449 1.531 50 0 biogenic FDAAMO O=C([C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000035907740 519613632 /nfs/dbraw/zinc/61/36/32/519613632.db2.gz VGTWZZZCXHUEAS-YOEHRIQHSA-N 1 1 373.428 1.792 50 0 FDAAMO O=C([C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)C1)N1CCCC1 ZINC000035907740 519613636 /nfs/dbraw/zinc/61/36/36/519613636.db2.gz VGTWZZZCXHUEAS-YOEHRIQHSA-N 1 1 373.428 1.792 50 0 FDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C2CCN(C(=O)C3CC3)CC2)C[C@H](C)O1 ZINC000040047450 519638838 /nfs/dbraw/zinc/63/88/38/519638838.db2.gz TUCREPRRHJSWAW-GJZGRUSLSA-N 1 1 365.518 1.639 50 0 FDAAMO COc1ccccc1[C@@H](CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1)[NH+](C)C ZINC000040087922 519639951 /nfs/dbraw/zinc/63/99/51/519639951.db2.gz VGKCRFOMRDIZLK-DOTOQJQBSA-N 1 1 361.486 1.919 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@@H](C)O1 ZINC000041933554 519672351 /nfs/dbraw/zinc/67/23/51/519672351.db2.gz MEAGNOFTLUXICF-ZXTQRBJTSA-N 1 1 369.531 1.444 50 0 FDAAMO CC(C)C[N@H+]1CCn2nc(CNC(=O)CCn3cc(Cl)cn3)cc2C1 ZINC000082138960 519732123 /nfs/dbraw/zinc/73/21/23/519732123.db2.gz NRWFZUMIUSXLRU-UHFFFAOYSA-N 1 1 364.881 1.911 50 0 FDAAMO CCOC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000082107373 520988495 /nfs/dbraw/zinc/98/84/95/520988495.db2.gz JZUUDIOMTQPHPS-IRXDYDNUSA-N 1 1 363.433 1.730 50 0 FDAAMO CCOC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C[N@H+]1CCc2ccccc2C1 ZINC000082107373 520988507 /nfs/dbraw/zinc/98/85/07/520988507.db2.gz JZUUDIOMTQPHPS-IRXDYDNUSA-N 1 1 363.433 1.730 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000020512601 521654798 /nfs/dbraw/zinc/65/47/98/521654798.db2.gz PJFAHERSZHZPSY-HNNXBMFYSA-N 1 1 367.453 1.640 50 0 FDAAMO CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 ZINC000020202928 521662405 /nfs/dbraw/zinc/66/24/05/521662405.db2.gz FWGNROKUNRAQDR-QGZVFWFLSA-N 1 1 351.491 1.206 50 0 FDAAMO CC[NH+]1CCN(C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 ZINC000019888811 521671595 /nfs/dbraw/zinc/67/15/95/521671595.db2.gz KAZCOMXCFPQRBU-UHFFFAOYSA-N 1 1 361.486 1.946 50 0 FDAAMO CCN1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)CC1 ZINC000019839691 521674238 /nfs/dbraw/zinc/67/42/38/521674238.db2.gz SPKVLVJMGDMDQB-FQEVSTJZSA-N 1 1 373.545 1.184 50 0 FDAAMO CCN1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccn3)C2)CC1 ZINC000019839691 521674241 /nfs/dbraw/zinc/67/42/41/521674241.db2.gz SPKVLVJMGDMDQB-FQEVSTJZSA-N 1 1 373.545 1.184 50 0 FDAAMO O=C(c1cc[nH]n1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072121643 522152031 /nfs/dbraw/zinc/15/20/31/522152031.db2.gz KOHUPVWZFLQSAN-NIKGAXFTSA-N 1 1 366.421 1.841 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)N2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)C1 ZINC000072142112 522167931 /nfs/dbraw/zinc/16/79/31/522167931.db2.gz AMLRGYWSQNTUHY-ZDUSSCGKSA-N 1 1 353.426 1.058 50 0 FDAAMO CC[N@@H+](C)[C@H](C)C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 ZINC000072145130 522170541 /nfs/dbraw/zinc/17/05/41/522170541.db2.gz JOLLKKDEZZUUBJ-CQSZACIVSA-N 1 1 368.485 1.830 50 0 FDAAMO Cc1ncc(CC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072166315 522194421 /nfs/dbraw/zinc/19/44/21/522194421.db2.gz UYILDCJUTRSWHP-GOSISDBHSA-N 1 1 354.454 1.444 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCCn3nc(CN4CCNC(=O)C4)cc3C2)s1 ZINC000072167862 522197003 /nfs/dbraw/zinc/19/70/03/522197003.db2.gz QDEUCIMVXCOXDJ-UHFFFAOYSA-N 1 1 359.499 1.591 50 0 FDAAMO Cc1ccc(C[N@H+]2CCCn3nc(CN4CCNC(=O)C4)cc3C2)s1 ZINC000072167862 522197008 /nfs/dbraw/zinc/19/70/08/522197008.db2.gz QDEUCIMVXCOXDJ-UHFFFAOYSA-N 1 1 359.499 1.591 50 0 FDAAMO CCCn1ccnc1C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072170505 522199284 /nfs/dbraw/zinc/19/92/84/522199284.db2.gz KVCZHXLGUUCJBB-HXUWFJFHSA-N 1 1 367.453 1.269 50 0 FDAAMO Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)N1CC[NH+](C)CC1 ZINC000046023919 522205249 /nfs/dbraw/zinc/20/52/49/522205249.db2.gz NGGSIPFZQJUQRK-UHFFFAOYSA-N 1 1 370.482 1.786 50 0 FDAAMO Cc1nc([C@@H]2CCC[N@@H+](CCCn3cnnn3)C2)cc(N2CCCC2)n1 ZINC000072421672 522253029 /nfs/dbraw/zinc/25/30/29/522253029.db2.gz QZDFETJXVFZLON-MRXNPFEDSA-N 1 1 356.478 1.641 50 0 FDAAMO Cc1nc2c(c(N3CCCN(C(=O)c4ccco4)CC3)n1)CC[N@@H+](C)CC2 ZINC000072430806 522266436 /nfs/dbraw/zinc/26/64/36/522266436.db2.gz OVNVWIFWXGMBBF-UHFFFAOYSA-N 1 1 369.469 1.761 50 0 FDAAMO CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072447999 522281778 /nfs/dbraw/zinc/28/17/78/522281778.db2.gz GMFIZOMCFVNESN-SFHVURJKSA-N 1 1 369.469 1.769 50 0 FDAAMO Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072453927 522285052 /nfs/dbraw/zinc/28/50/52/522285052.db2.gz NFRSNPHDSYTUNC-FUHWJXTLSA-N 1 1 353.470 1.871 50 0 FDAAMO Cn1ccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072453927 522285059 /nfs/dbraw/zinc/28/50/59/522285059.db2.gz NFRSNPHDSYTUNC-FUHWJXTLSA-N 1 1 353.470 1.871 50 0 FDAAMO CC(=O)c1cccc(C[N@@H+]2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)c1 ZINC000072469877 522293433 /nfs/dbraw/zinc/29/34/33/522293433.db2.gz UVOXPGOJXUDALJ-RBUKOAKNSA-N 1 1 359.470 1.877 50 0 FDAAMO CC(=O)c1cccc(C[N@H+]2CC[C@@H](CNC(=O)N3CCCC3)[C@H](O)C2)c1 ZINC000072469877 522293445 /nfs/dbraw/zinc/29/34/45/522293445.db2.gz UVOXPGOJXUDALJ-RBUKOAKNSA-N 1 1 359.470 1.877 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775878 522754713 /nfs/dbraw/zinc/75/47/13/522754713.db2.gz AYIBXUGZIJVBMA-AWEZNQCLSA-N 1 1 367.453 1.489 50 0 FDAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1 ZINC000065313629 522804308 /nfs/dbraw/zinc/80/43/08/522804308.db2.gz LTPZAOYDLFDVNZ-OAHLLOKOSA-N 1 1 361.490 1.367 50 0 FDAAMO COc1cccc(CN2CC3(CC2=O)CCN(C(=O)[C@@H]([NH3+])CF)CC3)c1 ZINC000077390979 523321200 /nfs/dbraw/zinc/32/12/00/523321200.db2.gz HIJXVIOVLLWEEZ-INIZCTEOSA-N 1 1 363.433 1.333 50 0 FDAAMO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CN1CCC[C@@H](O)C1 ZINC000077469756 523350588 /nfs/dbraw/zinc/35/05/88/523350588.db2.gz JCHAEYMFTYWGMY-HXUWFJFHSA-N 1 1 359.514 1.814 50 0 FDAAMO O=C(COC[C@H]1CCCO1)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000077489259 523360593 /nfs/dbraw/zinc/36/05/93/523360593.db2.gz YYSBLKRZSHZUIA-HXUWFJFHSA-N 1 1 358.482 1.884 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cnc4ccccn34)C2)CC1 ZINC000020455437 523766167 /nfs/dbraw/zinc/76/61/67/523766167.db2.gz WSVYCCHENZAMAK-MRXNPFEDSA-N 1 1 355.486 1.757 50 0 FDAAMO C[N@H+]1CC[C@@H](CNC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091381736 523960994 /nfs/dbraw/zinc/96/09/94/523960994.db2.gz JGENICBBPSAZNP-LBPRGKRZSA-N 1 1 359.382 1.664 50 0 FDAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)CC2 ZINC000084169108 524289309 /nfs/dbraw/zinc/28/93/09/524289309.db2.gz IVXGWYGTPZULDJ-SFHVURJKSA-N 1 1 364.486 1.927 50 0 FDAAMO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccccn1 ZINC000085432569 524357219 /nfs/dbraw/zinc/35/72/19/524357219.db2.gz QJAGZLRCCZIRPN-MRXNPFEDSA-N 1 1 367.453 1.936 50 0 FDAAMO Cc1ncc(CO)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)c1O ZINC000091255770 524684337 /nfs/dbraw/zinc/68/43/37/524684337.db2.gz QWNZTODKNQZSPW-GDBMZVCRSA-N 1 1 355.442 1.479 50 0 FDAAMO COCCN1CC[C@@]2(CN(C(=O)Nc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091270514 524686967 /nfs/dbraw/zinc/68/69/67/524686967.db2.gz CWVXXXAQWHIDHF-HXUWFJFHSA-N 1 1 374.485 1.864 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091269683 524687061 /nfs/dbraw/zinc/68/70/61/524687061.db2.gz RJPCYJGKUGFEPK-DOTOQJQBSA-N 1 1 353.426 1.350 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2ccc3ncsc3c2)C[C@@H]1CO ZINC000091325403 524691837 /nfs/dbraw/zinc/69/18/37/524691837.db2.gz YEISUVQVTZTGIP-HUUCEWRRSA-N 1 1 363.483 1.291 50 0 FDAAMO O=C(c1ccc2ncsc2c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091365094 524696196 /nfs/dbraw/zinc/69/61/96/524696196.db2.gz ICGYTGWUTHLESM-HUUCEWRRSA-N 1 1 361.467 1.309 50 0 FDAAMO Cc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCN(CCO)C4=O)no2)cc1 ZINC000091476679 524712959 /nfs/dbraw/zinc/71/29/59/524712959.db2.gz GYJULTXYKHIJBE-FQEVSTJZSA-N 1 1 370.453 1.852 50 0 FDAAMO Cc1ccc(-c2nc(C[N@H+]3CC[C@]4(C3)CCCN(CCO)C4=O)no2)cc1 ZINC000091476679 524712974 /nfs/dbraw/zinc/71/29/74/524712974.db2.gz GYJULTXYKHIJBE-FQEVSTJZSA-N 1 1 370.453 1.852 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCn2cc(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000091587137 524734389 /nfs/dbraw/zinc/73/43/89/524734389.db2.gz TZBRXBCHRQUZGS-GFCCVEGCSA-N 1 1 351.813 1.935 50 0 FDAAMO CNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cccc3c2NCCC3)[C@@H](C(C)C)C1 ZINC000091649877 524752555 /nfs/dbraw/zinc/75/25/55/524752555.db2.gz ANYMXGZPQQATKA-SJORKVTESA-N 1 1 358.486 1.477 50 0 FDAAMO CNC(=O)C[N@H+]1C[C@H](NC(=O)c2cccc3c2NCCC3)[C@@H](C(C)C)C1 ZINC000091649877 524752565 /nfs/dbraw/zinc/75/25/65/524752565.db2.gz ANYMXGZPQQATKA-SJORKVTESA-N 1 1 358.486 1.477 50 0 FDAAMO O=C([C@H]1CC(=O)Nc2ccc(F)cc21)N1CC[NH+](CCn2cccc2)CC1 ZINC000091656289 524753638 /nfs/dbraw/zinc/75/36/38/524753638.db2.gz RDRAAVRIAMVQJT-KRWDZBQOSA-N 1 1 370.428 1.897 50 0 FDAAMO Cc1nc(C2CC2)ncc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091663606 524757550 /nfs/dbraw/zinc/75/75/50/524757550.db2.gz ZIVNFVLXHLBHJF-LJQANCHMSA-N 1 1 357.458 1.089 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2 ZINC000091713759 524765653 /nfs/dbraw/zinc/76/56/53/524765653.db2.gz ZOUHTNNJVHZMTN-QZTJIDSGSA-N 1 1 367.515 1.406 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccn(C)n1)CC2 ZINC000091755370 524775782 /nfs/dbraw/zinc/77/57/82/524775782.db2.gz UKLADNLAVXJYFE-UHFFFAOYSA-N 1 1 356.474 1.789 50 0 FDAAMO CCN1CCC[C@]2(CC[N@@H+](CCCOc3ccc(C(N)=O)cc3)C2)C1=O ZINC000091754864 524776818 /nfs/dbraw/zinc/77/68/18/524776818.db2.gz YFRODQJDUCDBIE-HXUWFJFHSA-N 1 1 359.470 1.889 50 0 FDAAMO O=C1N(CCO)CCC[C@]12CC[N@@H+](Cc1cncn1Cc1ccccc1)C2 ZINC000091849100 524799594 /nfs/dbraw/zinc/79/95/94/524799594.db2.gz ZJYLWPAEDZLOHH-OAQYLSRUSA-N 1 1 368.481 1.738 50 0 FDAAMO CN(C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)[C@H]1CC[N@@H+](C)C1 ZINC000091935143 524814952 /nfs/dbraw/zinc/81/49/52/524814952.db2.gz FFENWOGXJOXNME-ZDUSSCGKSA-N 1 1 360.389 1.676 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(=O)[nH]c1)C2 ZINC000091935215 524815193 /nfs/dbraw/zinc/81/51/93/524815193.db2.gz LTBAAMNBPCDBJE-GOEBONIOSA-N 1 1 356.426 1.716 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OCCO)C2 ZINC000091952196 524819100 /nfs/dbraw/zinc/81/91/00/524819100.db2.gz RUWWNGNKWZMVQR-FUHWJXTLSA-N 1 1 361.486 1.042 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2OCCO)C1 ZINC000091952196 524819109 /nfs/dbraw/zinc/81/91/09/524819109.db2.gz RUWWNGNKWZMVQR-FUHWJXTLSA-N 1 1 361.486 1.042 50 0 FDAAMO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2OCCO)C1 ZINC000091952196 524819111 /nfs/dbraw/zinc/81/91/11/524819111.db2.gz RUWWNGNKWZMVQR-FUHWJXTLSA-N 1 1 361.486 1.042 50 0 FDAAMO OC[C@H]1C[N@@H+](Cc2cnc(C3CCCCC3)nc2)C[C@H]1CN1CCOCC1 ZINC000091965883 524821845 /nfs/dbraw/zinc/82/18/45/524821845.db2.gz GXINNTATSKUCPR-WOJBJXKFSA-N 1 1 374.529 1.897 50 0 FDAAMO OC[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091965883 524821856 /nfs/dbraw/zinc/82/18/56/524821856.db2.gz GXINNTATSKUCPR-WOJBJXKFSA-N 1 1 374.529 1.897 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 ZINC000091986690 524823244 /nfs/dbraw/zinc/82/32/44/524823244.db2.gz FAAPFJFFOPINOI-NVXWUHKLSA-N 1 1 367.515 1.788 50 0 FDAAMO CCOc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 ZINC000091986690 524823250 /nfs/dbraw/zinc/82/32/50/524823250.db2.gz FAAPFJFFOPINOI-NVXWUHKLSA-N 1 1 367.515 1.788 50 0 FDAAMO CC[C@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1nc2cc(C)ccc2[nH]1 ZINC000092065978 524839174 /nfs/dbraw/zinc/83/91/74/524839174.db2.gz ROKBGPVTUZQGHA-AWEZNQCLSA-N 1 1 357.458 1.636 50 0 FDAAMO CC[C@H](NC(=O)C[NH+]1CCC(C(N)=O)CC1)c1nc2ccc(C)cc2[nH]1 ZINC000092065978 524839180 /nfs/dbraw/zinc/83/91/80/524839180.db2.gz ROKBGPVTUZQGHA-AWEZNQCLSA-N 1 1 357.458 1.636 50 0 FDAAMO C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)C[C@H](C)O1 ZINC000095359803 525034701 /nfs/dbraw/zinc/03/47/01/525034701.db2.gz YZZLHXNEZZHARH-HLNWXESRSA-N 1 1 372.513 1.614 50 0 FDAAMO C[N@H+]1CCN(C(=O)c2cc(-c3ccsc3)n[nH]2)C[C@@]12CCNC(=O)CC2 ZINC000095358386 525035082 /nfs/dbraw/zinc/03/50/82/525035082.db2.gz CQQUZUKXLIAYIX-GOSISDBHSA-N 1 1 373.482 1.565 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnc3ccccc31)C2 ZINC000095361954 525037375 /nfs/dbraw/zinc/03/73/75/525037375.db2.gz ROQYCGUXQODQGN-JKSUJKDBSA-N 1 1 369.469 1.047 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnc3ccccc31)C2 ZINC000095361954 525037386 /nfs/dbraw/zinc/03/73/86/525037386.db2.gz ROQYCGUXQODQGN-JKSUJKDBSA-N 1 1 369.469 1.047 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(C(=O)c3cccnn3)C2)n1C ZINC000095366764 525042210 /nfs/dbraw/zinc/04/22/10/525042210.db2.gz YLTREUYIDZLDQB-CQSZACIVSA-N 1 1 366.429 1.178 50 0 FDAAMO Cn1c2ccccc2nc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095366665 525042790 /nfs/dbraw/zinc/04/27/90/525042790.db2.gz UIWUKHDLKAFHJM-FQEVSTJZSA-N 1 1 355.486 1.702 50 0 FDAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000095372183 525047757 /nfs/dbraw/zinc/04/77/57/525047757.db2.gz PBJXQRDKRSPEAE-AWEZNQCLSA-N 1 1 368.503 1.014 50 0 FDAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000095372183 525047769 /nfs/dbraw/zinc/04/77/69/525047769.db2.gz PBJXQRDKRSPEAE-AWEZNQCLSA-N 1 1 368.503 1.014 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000095378436 525052461 /nfs/dbraw/zinc/05/24/61/525052461.db2.gz QAQWWWCGPFUWJI-KRWDZBQOSA-N 1 1 359.518 1.719 50 0 FDAAMO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c2cccnc12 ZINC000095380202 525054383 /nfs/dbraw/zinc/05/43/83/525054383.db2.gz JJELMAIFUBFMMD-WOJBJXKFSA-N 1 1 368.525 1.831 50 0 FDAAMO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCN(C)CC3)C2)c2cccnc12 ZINC000095380202 525054394 /nfs/dbraw/zinc/05/43/94/525054394.db2.gz JJELMAIFUBFMMD-WOJBJXKFSA-N 1 1 368.525 1.831 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3cccn3C)C2)n1C ZINC000095390767 525063246 /nfs/dbraw/zinc/06/32/46/525063246.db2.gz SXGBBSGPHPOVFW-HNNXBMFYSA-N 1 1 367.457 1.727 50 0 FDAAMO CCOC(=O)c1cnn(CC[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1N ZINC000095402224 525067671 /nfs/dbraw/zinc/06/76/71/525067671.db2.gz HMBSKORZUSTPEJ-ZDUSSCGKSA-N 1 1 374.445 1.782 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C[N@@H+]1C ZINC000095497235 525079236 /nfs/dbraw/zinc/07/92/36/525079236.db2.gz HLOMLMMFKPCWCB-KDOFPFPSSA-N 1 1 372.469 1.847 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C[N@H+]1C ZINC000095497235 525079246 /nfs/dbraw/zinc/07/92/46/525079246.db2.gz HLOMLMMFKPCWCB-KDOFPFPSSA-N 1 1 372.469 1.847 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCc3nc(-c4ccccc4)[nH]c3C2)C1 ZINC000095500051 525082711 /nfs/dbraw/zinc/08/27/11/525082711.db2.gz JDPQLRQNEQDSKI-OAHLLOKOSA-N 1 1 367.453 1.159 50 0 FDAAMO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095500051 525082721 /nfs/dbraw/zinc/08/27/21/525082721.db2.gz JDPQLRQNEQDSKI-OAHLLOKOSA-N 1 1 367.453 1.159 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095500051 525082733 /nfs/dbraw/zinc/08/27/33/525082733.db2.gz JDPQLRQNEQDSKI-OAHLLOKOSA-N 1 1 367.453 1.159 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@]12CCNC(=O)CC2 ZINC000095502291 525086102 /nfs/dbraw/zinc/08/61/02/525086102.db2.gz JAFUVMQFDJVRPE-FQEVSTJZSA-N 1 1 354.454 1.523 50 0 FDAAMO COc1cc(CN2CCCOCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095503536 525086622 /nfs/dbraw/zinc/08/66/22/525086622.db2.gz FYMZYJODLUYGND-GOSISDBHSA-N 1 1 364.486 1.753 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)NCc2ccco2)CC3)C1 ZINC000095518678 525097539 /nfs/dbraw/zinc/09/75/39/525097539.db2.gz YBFLHJNNDBSGQD-MRXNPFEDSA-N 1 1 374.485 1.898 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H](NC(C)=O)C1 ZINC000095530157 525105094 /nfs/dbraw/zinc/10/50/94/525105094.db2.gz DRZPNACRTIUHOY-ZWKOTPCHSA-N 1 1 370.453 1.585 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000095528978 525105736 /nfs/dbraw/zinc/10/57/36/525105736.db2.gz RXBHZTCXNDDWCF-IBGZPJMESA-N 1 1 352.434 1.957 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000095528978 525105740 /nfs/dbraw/zinc/10/57/40/525105740.db2.gz RXBHZTCXNDDWCF-IBGZPJMESA-N 1 1 352.434 1.957 50 0 FDAAMO CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000095953208 525110392 /nfs/dbraw/zinc/11/03/92/525110392.db2.gz JQWRBHMSLFNTGB-UHFFFAOYSA-N 1 1 361.458 1.611 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000170643448 525655476 /nfs/dbraw/zinc/65/54/76/525655476.db2.gz JFEZKAHGFPARER-VNAOBRGMSA-N 1 1 352.500 1.482 50 0 FDAAMO CC[C@@H]1CN(C(=O)c2cccc(C[S@](C)=O)c2)CC[N@H+]1C[C@@H](C)O ZINC000170643448 525655486 /nfs/dbraw/zinc/65/54/86/525655486.db2.gz JFEZKAHGFPARER-VNAOBRGMSA-N 1 1 352.500 1.482 50 0 FDAAMO COc1cccc(-c2cc(CNC(=O)C[NH+]3CCC(C(N)=O)CC3)no2)c1 ZINC000091474416 525705703 /nfs/dbraw/zinc/70/57/03/525705703.db2.gz XQKLHTZXSXEVBA-UHFFFAOYSA-N 1 1 372.425 1.164 50 0 FDAAMO O=C(NCCc1ccccc1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000091350506 526425762 /nfs/dbraw/zinc/42/57/62/526425762.db2.gz FTFSOHXJHZBRAX-LJQANCHMSA-N 1 1 373.497 1.306 50 0 FDAAMO O=C(CCc1cccc(F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091440848 526601442 /nfs/dbraw/zinc/60/14/42/526601442.db2.gz VWLPPUDHPDMOQU-IAGOWNOFSA-N 1 1 350.434 1.157 50 0 FDAAMO O=C(CN1CC[NH+](C[C@H](O)c2cccs2)CC1)Nc1nccs1 ZINC000085436942 526772763 /nfs/dbraw/zinc/77/27/63/526772763.db2.gz CRXZKGNNRCALJV-LBPRGKRZSA-N 1 1 352.485 1.494 50 0 FDAAMO O=C(Cn1ccc2ccccc21)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091320752 527381305 /nfs/dbraw/zinc/38/13/05/527381305.db2.gz VJPKCGBZJCDTDL-MSOLQXFVSA-N 1 1 371.481 1.431 50 0 FDAAMO Cc1[nH+]ccn1CCCC(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091526170 527392474 /nfs/dbraw/zinc/39/24/74/527392474.db2.gz FEXIMPODDSDGFW-DLBZAZTESA-N 1 1 354.458 1.889 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)CC3=CSC4=NCCN34)cc2C1 ZINC000299759482 528487700 /nfs/dbraw/zinc/48/77/00/528487700.db2.gz SJYMWPKMBMYKFE-UHFFFAOYSA-N 1 1 374.514 1.765 50 0 FDAAMO CCNC(=O)c1ccnc(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000106964893 535450955 /nfs/dbraw/zinc/45/09/55/535450955.db2.gz DWPOXHXPWCNSPL-INIZCTEOSA-N 1 1 374.510 1.966 50 0 FDAAMO CCNc1cc[nH+]c(N2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)n1 ZINC000095391063 535526968 /nfs/dbraw/zinc/52/69/68/535526968.db2.gz PLAXBTQWVOEHSC-AWEZNQCLSA-N 1 1 367.461 1.666 50 0 FDAAMO CCc1nc2c(cnn2C)c(N2CC[NH+](Cc3ncccc3C)CC2)n1 ZINC000072154616 536154373 /nfs/dbraw/zinc/15/43/73/536154373.db2.gz TWERIOJRDFGGSY-UHFFFAOYSA-N 1 1 351.458 1.951 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000063869655 537070546 /nfs/dbraw/zinc/07/05/46/537070546.db2.gz VMCBQXVCVBLGJK-OAHLLOKOSA-N 1 1 353.488 1.241 50 0 FDAAMO Cn1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cn1 ZINC000252508793 537250685 /nfs/dbraw/zinc/25/06/85/537250685.db2.gz XTNKEKVUGLPBGR-AWEZNQCLSA-N 1 1 360.414 1.072 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1nc2ccc(Cl)cn2c1F ZINC000215904213 537443302 /nfs/dbraw/zinc/44/33/02/537443302.db2.gz YRTRLZADKAFBLW-GFCCVEGCSA-N 1 1 354.813 1.703 50 0 FDAAMO CN1CCCn2nc(C(=O)NCC[N@H+]3CC[C@@H](c4ccccc4)C3)cc2C1 ZINC000216474227 537450624 /nfs/dbraw/zinc/45/06/24/537450624.db2.gz INPATIHCBFHFIK-GOSISDBHSA-N 1 1 367.497 1.938 50 0 FDAAMO CN(Cc1ccccc1-n1cccn1)C(=O)CC[N@@H+](C)[C@H]1CCN(C)C1 ZINC000220310185 537488422 /nfs/dbraw/zinc/48/84/22/537488422.db2.gz WCQAOIPJYYQVKI-SFHVURJKSA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1ccccc1-n1cccn1)C(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000220310185 537488433 /nfs/dbraw/zinc/48/84/33/537488433.db2.gz WCQAOIPJYYQVKI-SFHVURJKSA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1ccccc1-n1cccn1)C(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000220310185 537488446 /nfs/dbraw/zinc/48/84/46/537488446.db2.gz WCQAOIPJYYQVKI-SFHVURJKSA-N 1 1 355.486 1.857 50 0 FDAAMO CC1=C(C(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)SC2=NCCN12 ZINC000220755417 537494615 /nfs/dbraw/zinc/49/46/15/537494615.db2.gz IQXSEDZIOIYAPY-OAHLLOKOSA-N 1 1 357.483 1.812 50 0 FDAAMO CC1=C(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)SC2=NCCN12 ZINC000220755417 537494619 /nfs/dbraw/zinc/49/46/19/537494619.db2.gz IQXSEDZIOIYAPY-OAHLLOKOSA-N 1 1 357.483 1.812 50 0 FDAAMO COc1cccc([C@@H]2CCN(C(=O)CN3CCC[N@@H+](C)CC3)C2)c1OC ZINC000223968286 537537613 /nfs/dbraw/zinc/53/76/13/537537613.db2.gz JOKWHTUZYVPEPW-MRXNPFEDSA-N 1 1 361.486 1.657 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1O ZINC000275796164 537573411 /nfs/dbraw/zinc/57/34/11/537573411.db2.gz WFMQWMRCPAIOCU-CYBMUJFWSA-N 1 1 351.447 1.387 50 0 FDAAMO CCc1nn2c(nc(C[N@@H+]3CC[C@H](n4nc(C)cc4C)C3)cc2=O)s1 ZINC000244773797 537651872 /nfs/dbraw/zinc/65/18/72/537651872.db2.gz PGVLYOUQGCTYLY-AWEZNQCLSA-N 1 1 358.471 1.974 50 0 FDAAMO CCc1nn2c(nc(C[N@H+]3CC[C@H](n4nc(C)cc4C)C3)cc2=O)s1 ZINC000244773797 537651875 /nfs/dbraw/zinc/65/18/75/537651875.db2.gz PGVLYOUQGCTYLY-AWEZNQCLSA-N 1 1 358.471 1.974 50 0 FDAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000426674434 538122232 /nfs/dbraw/zinc/12/22/32/538122232.db2.gz ZKPIXZFYRSUXAF-OAHLLOKOSA-N 1 1 355.398 1.527 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)N1CCN(c2ccccn2)CC1 ZINC000426613023 538425660 /nfs/dbraw/zinc/42/56/60/538425660.db2.gz XLENQWKOGNYHIT-UHFFFAOYSA-N 1 1 373.501 1.558 50 0 FDAAMO COc1cc(=O)n2c(c1C(=O)NCCC[NH+]1CCOCC1)CCCCC2 ZINC000583648814 551382245 /nfs/dbraw/zinc/38/22/45/551382245.db2.gz UXQPECFXCFVGDG-UHFFFAOYSA-N 1 1 363.458 1.035 50 0 FDAAMO CC(C)n1ncnc1-c1ccc(C(=O)N2CC[NH+](CCCO)CC2)cc1 ZINC000584895428 551566597 /nfs/dbraw/zinc/56/65/97/551566597.db2.gz BSHYHOFFEJNUTJ-UHFFFAOYSA-N 1 1 357.458 1.666 50 0 FDAAMO CSc1ncc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1C ZINC000584899846 551567008 /nfs/dbraw/zinc/56/70/08/551567008.db2.gz UPVVVWZQGMBODA-AWEZNQCLSA-N 1 1 367.519 1.538 50 0 FDAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 ZINC000230571547 568156990 /nfs/dbraw/zinc/15/69/90/568156990.db2.gz YKVYYJBYYJFYNS-KRWDZBQOSA-N 1 1 367.453 1.545 50 0 FDAAMO C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000230571547 568156992 /nfs/dbraw/zinc/15/69/92/568156992.db2.gz YKVYYJBYYJFYNS-KRWDZBQOSA-N 1 1 367.453 1.545 50 0 FDAAMO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000230571547 568156994 /nfs/dbraw/zinc/15/69/94/568156994.db2.gz YKVYYJBYYJFYNS-KRWDZBQOSA-N 1 1 367.453 1.545 50 0 FDAAMO c1cnc(N2CCc3ncnc(N4CC[N@H+]5CCC[C@H]5C4)c3CC2)cn1 ZINC000106980283 570894756 /nfs/dbraw/zinc/89/47/56/570894756.db2.gz YRZVHVXLXIVJBH-HNNXBMFYSA-N 1 1 351.458 1.156 50 0 FDAAMO O=C(Cc1ccccc1Cl)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000047635393 570905169 /nfs/dbraw/zinc/90/51/69/570905169.db2.gz QCOPNVDAJBFEDJ-WBVHZDCISA-N 1 1 352.862 1.736 50 0 FDAAMO C[C@H]1CN(C(=O)C2CC[NH+](Cn3c4ccccc4oc3=O)CC2)C[C@H](C)O1 ZINC000045801745 570912629 /nfs/dbraw/zinc/91/26/29/570912629.db2.gz RVGUAIHHMLJMSZ-GJZGRUSLSA-N 1 1 373.453 1.900 50 0 FDAAMO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)c1 ZINC000244893055 571119438 /nfs/dbraw/zinc/11/94/38/571119438.db2.gz YUPSNWFBXABCAL-WOJBJXKFSA-N 1 1 353.466 1.993 50 0 FDAAMO Cc1ccc(C)c(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)c1 ZINC000244893055 571119440 /nfs/dbraw/zinc/11/94/40/571119440.db2.gz YUPSNWFBXABCAL-WOJBJXKFSA-N 1 1 353.466 1.993 50 0 FDAAMO C[N@@H+](CCNc1cc([C@@H]2CCOC2)ncn1)Cc1cccc2nonc21 ZINC000426488231 571129207 /nfs/dbraw/zinc/12/92/07/571129207.db2.gz LJGHMYMPYSCDSP-CQSZACIVSA-N 1 1 354.414 2.061 50 0 FDAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000426492777 571228283 /nfs/dbraw/zinc/22/82/83/571228283.db2.gz IUTHHCRBVRTVBR-KRWDZBQOSA-N 1 1 374.533 1.603 50 0 FDAAMO COc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426497221 571228626 /nfs/dbraw/zinc/22/86/26/571228626.db2.gz KVVKUGRZRSDENT-QZTJIDSGSA-N 1 1 373.453 1.594 50 0 FDAAMO COc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000426497221 571228627 /nfs/dbraw/zinc/22/86/27/571228627.db2.gz KVVKUGRZRSDENT-QZTJIDSGSA-N 1 1 373.453 1.594 50 0 FDAAMO C[C@@H](CCNC(=O)Nc1cccc(-n2cnnc2)c1)N1CC[NH+](C)CC1 ZINC000426508103 571228823 /nfs/dbraw/zinc/22/88/23/571228823.db2.gz PENFRXIJAXOWLJ-HNNXBMFYSA-N 1 1 357.462 1.415 50 0 FDAAMO O=C(Cc1cccs1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670441995 571349212 /nfs/dbraw/zinc/34/92/12/571349212.db2.gz AFAFAIDTHLUJSV-ZWVUXNTGSA-N 1 1 367.518 1.974 50 0 FDAAMO CCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c3nonc3c(C)cc2C)C1 ZINC000670444062 571350110 /nfs/dbraw/zinc/35/01/10/571350110.db2.gz ZLGHTGYAFGVCIL-CYBMUJFWSA-N 1 1 352.460 1.992 50 0 FDAAMO Cc1ccc(C)c(OCCCN(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000670444013 571350136 /nfs/dbraw/zinc/35/01/36/571350136.db2.gz DWNWPWRHBGMYTA-GOSISDBHSA-N 1 1 362.518 1.960 50 0 FDAAMO O=C(CC(F)(F)F)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000015069035 670626820 /nfs/dbraw/zinc/62/68/20/670626820.db2.gz WUFOJZCZGKFGSU-LBPRGKRZSA-N 1 1 361.408 1.920 50 0 FDAAMO CCc1nc(C)sc1C[N@@H+]1C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C1 ZINC000095376283 671523920 /nfs/dbraw/zinc/52/39/20/671523920.db2.gz NRYYRWMZRVPDQP-DZGCQCFKSA-N 1 1 374.576 1.866 50 0 FDAAMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC000285238609 675808574 /nfs/dbraw/zinc/80/85/74/675808574.db2.gz XSGXISWOJFGVKQ-KGLIPLIRSA-N 1 1 353.469 1.390 50 0 FDAAMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cnc4ccsc4c3)[C@@H]2C1 ZINC000285238609 675808579 /nfs/dbraw/zinc/80/85/79/675808579.db2.gz XSGXISWOJFGVKQ-KGLIPLIRSA-N 1 1 353.469 1.390 50 0 FDAAMO Cc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c2cnn(C)c2n1 ZINC000175983015 775550484 /nfs/dbraw/zinc/55/04/84/775550484.db2.gz SRLIFNTYRITBPB-MRXNPFEDSA-N 1 1 370.501 1.519 50 0 FDAAMO COC[C@H]1NC(=O)CC[C@H]1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000257187989 793966504 /nfs/dbraw/zinc/96/65/04/793966504.db2.gz CVQCRKVJQXNTMN-QZTJIDSGSA-N 1 1 359.470 1.092 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)CCC(=O)NCC1)N1CCOCC1 ZINC000257182320 864470756 /nfs/dbraw/zinc/47/07/56/864470756.db2.gz OYNWALZQHDVLCB-GOSISDBHSA-N 1 1 374.485 1.049 50 0 FDAAMO COCC(=O)NC[C@H]1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1N(C)C ZINC000169788885 864519853 /nfs/dbraw/zinc/51/98/53/864519853.db2.gz URAZDQSAGKYEGQ-DNVCBOLYSA-N 1 1 358.486 1.683 50 0 FDAAMO COCC(=O)NC[C@H]1CCN(Cc2cccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000169788885 864519861 /nfs/dbraw/zinc/51/98/61/864519861.db2.gz URAZDQSAGKYEGQ-DNVCBOLYSA-N 1 1 358.486 1.683 50 0 FDAAMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000818971081 917939155 /nfs/dbraw/zinc/93/91/55/917939155.db2.gz LMBMFWJIWLMGNN-INIZCTEOSA-N 1 1 367.515 1.720 50 0 FDAAMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000818971081 917939164 /nfs/dbraw/zinc/93/91/64/917939164.db2.gz LMBMFWJIWLMGNN-INIZCTEOSA-N 1 1 367.515 1.720 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2ccc(-c3cnc4nncn4c3)cc2)C1 ZINC000823801203 922099486 /nfs/dbraw/zinc/09/94/86/922099486.db2.gz NQXCBSVHCHAEEA-AWEZNQCLSA-N 1 1 366.425 1.099 50 0 FDAAMO Cc1ccc[nH+]c1NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000827695827 924704948 /nfs/dbraw/zinc/70/49/48/924704948.db2.gz FIZNXDANHXWMFZ-MRXNPFEDSA-N 1 1 353.426 1.362 50 0 FDAAMO COc1ccc(CCC(=O)N2CCC3(C[C@H]4C(=O)NCC[N@@H+]4C3)CC2)cc1 ZINC000581811564 927597508 /nfs/dbraw/zinc/59/75/08/927597508.db2.gz PJKVMZNXXLYGAS-SFHVURJKSA-N 1 1 371.481 1.441 50 0 FDAAMO CCn1cc(S(=O)(=O)N2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000581803253 927599791 /nfs/dbraw/zinc/59/97/91/927599791.db2.gz IFYZCFAIZRURCN-INIZCTEOSA-N 1 1 368.503 1.169 50 0 FDAAMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(F)c(OC)cc1OC ZINC000585084760 943911800 /nfs/dbraw/zinc/91/18/00/943911800.db2.gz WRSLLDMGNYFKGU-LBPRGKRZSA-N 1 1 360.451 1.948 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](COc3ccccc3)C2)C1 ZINC000952963662 960246464 /nfs/dbraw/zinc/24/64/64/960246464.db2.gz LKWVWRWWZUPHDU-SJORKVTESA-N 1 1 359.470 1.501 50 0 FDAAMO CCOc1ccccc1OCCN(C)C(=O)[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952977872 960275767 /nfs/dbraw/zinc/27/57/67/960275767.db2.gz WCJJLUVWABGVAH-HNNXBMFYSA-N 1 1 363.458 1.120 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1 ZINC000952983005 960297341 /nfs/dbraw/zinc/29/73/41/960297341.db2.gz QVFSJUASTNWOJF-PKOBYXMFSA-N 1 1 352.438 1.485 50 0 FDAAMO NC(=O)CN1CCC[C@H](C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000952989041 960312452 /nfs/dbraw/zinc/31/24/52/960312452.db2.gz GVPLYKSIFWHZRK-ROUUACIJSA-N 1 1 358.486 1.137 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)C[C@@H]2O)CC1 ZINC000299767306 529776572 /nfs/dbraw/zinc/77/65/72/529776572.db2.gz JSPKUTWUIWRMNM-HOTGVXAUSA-N 1 1 371.403 1.067 50 0 FDAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C1CCN(C(=O)c3ccccn3)CC1)C2 ZINC000299781278 529831407 /nfs/dbraw/zinc/83/14/07/529831407.db2.gz SVCCWPKIRIRFDP-DLBZAZTESA-N 1 1 356.470 1.629 50 0 FDAAMO C[N@H+](CCC(=O)NCc1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000299762759 529871110 /nfs/dbraw/zinc/87/11/10/529871110.db2.gz XOGNJWXEPZTGGZ-SFHVURJKSA-N 1 1 364.511 1.691 50 0 FDAAMO C[N@@H+](CCC(=O)NCc1ccc2c(c1)CCCC2)[C@H]1CCS(=O)(=O)C1 ZINC000299762759 529871111 /nfs/dbraw/zinc/87/11/11/529871111.db2.gz XOGNJWXEPZTGGZ-SFHVURJKSA-N 1 1 364.511 1.691 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1 ZINC000534580231 540384157 /nfs/dbraw/zinc/38/41/57/540384157.db2.gz QGDWTNLHSWECRT-MRXNPFEDSA-N 1 1 359.405 1.467 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CN1CCNCC1=O ZINC000299740383 223079063 /nfs/dbraw/zinc/07/90/63/223079063.db2.gz ZDMSZMGZFAZKMG-LFUKPOHLSA-N 1 1 372.513 1.033 50 0 FDAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)CCNS(C)(=O)=O)c1ccccc1 ZINC000299787336 223096475 /nfs/dbraw/zinc/09/64/75/223096475.db2.gz SUMSVRMVLJLAJB-INIZCTEOSA-N 1 1 364.471 1.378 50 0 FDAAMO O=C(c1ccncc1)N1CCC([N@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)CC1 ZINC000299792258 223098927 /nfs/dbraw/zinc/09/89/27/223098927.db2.gz GRENXWKJBLARMH-ZWKOTPCHSA-N 1 1 368.441 1.124 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000012795528 220031787 /nfs/dbraw/zinc/03/17/87/220031787.db2.gz BCDAIDUOLNGHGI-OAHLLOKOSA-N 1 1 365.499 1.453 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000012795528 220031791 /nfs/dbraw/zinc/03/17/91/220031791.db2.gz BCDAIDUOLNGHGI-OAHLLOKOSA-N 1 1 365.499 1.453 50 0 FDAAMO O=S(=O)(c1cccs1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CCCCC1 ZINC000013371066 220065950 /nfs/dbraw/zinc/06/59/50/220065950.db2.gz UETRYNBYCICBNZ-STQMWFEESA-N 1 1 363.526 1.610 50 0 FDAAMO COc1ccccc1[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)[NH+](C)C ZINC000014071742 220103940 /nfs/dbraw/zinc/10/39/40/220103940.db2.gz XFVRSPOAAYHTKC-INIZCTEOSA-N 1 1 366.421 1.964 50 0 FDAAMO O=S(=O)(c1cccc(F)c1)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000014113746 220107162 /nfs/dbraw/zinc/10/71/62/220107162.db2.gz VBIPFRBRTCAHJG-UHFFFAOYSA-N 1 1 356.463 1.827 50 0 FDAAMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014242453 220119765 /nfs/dbraw/zinc/11/97/65/220119765.db2.gz UYEOSZIWVIALIX-HXUWFJFHSA-N 1 1 370.453 1.051 50 0 FDAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cn2cnnn2)C1 ZINC000014975656 220138535 /nfs/dbraw/zinc/13/85/35/220138535.db2.gz OMYMFTSWNJLYMT-MRXNPFEDSA-N 1 1 372.473 1.095 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c(O)nc2ccccn2c1=O ZINC000015962655 220173504 /nfs/dbraw/zinc/17/35/04/220173504.db2.gz SGIQSCZFTGZRKO-AWEZNQCLSA-N 1 1 358.442 1.785 50 0 FDAAMO CC(C)[NH+]1CCN(C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000019218492 220241041 /nfs/dbraw/zinc/24/10/41/220241041.db2.gz LQDIHGYRUBVUME-FQEVSTJZSA-N 1 1 351.535 1.946 50 0 FDAAMO COCCNC(=O)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000299774893 533014595 /nfs/dbraw/zinc/01/45/95/533014595.db2.gz JACJHZAAVJKSPO-MRXNPFEDSA-N 1 1 360.458 1.683 50 0 FDAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000019761950 220294908 /nfs/dbraw/zinc/29/49/08/220294908.db2.gz NALAROGCCHIAAL-IBGZPJMESA-N 1 1 350.551 1.785 50 0 FDAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1 ZINC000019761950 220294911 /nfs/dbraw/zinc/29/49/11/220294911.db2.gz NALAROGCCHIAAL-IBGZPJMESA-N 1 1 350.551 1.785 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020220094 220318071 /nfs/dbraw/zinc/31/80/71/220318071.db2.gz OGSSNTNVNTZCCS-OAHLLOKOSA-N 1 1 371.890 1.267 50 0 FDAAMO COc1cc(OC)c2c(C)c(CC(=O)N3CC[NH+](C)CC3)c(=O)oc2c1 ZINC000020650230 220337496 /nfs/dbraw/zinc/33/74/96/220337496.db2.gz NHYYTPWWWFVXMN-UHFFFAOYSA-N 1 1 360.410 1.435 50 0 FDAAMO C[NH+]1CCN(C(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000020676820 220339386 /nfs/dbraw/zinc/33/93/86/220339386.db2.gz KRMBGRUXQCVNAK-UHFFFAOYSA-N 1 1 355.442 1.010 50 0 biogenic FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)CC1 ZINC000020942675 220346437 /nfs/dbraw/zinc/34/64/37/220346437.db2.gz PEUXCEDLRWDVCM-OAHLLOKOSA-N 1 1 374.514 1.709 50 0 FDAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2)CC1 ZINC000048325287 221007756 /nfs/dbraw/zinc/00/77/56/221007756.db2.gz BFKIECNXRSDDRT-UHFFFAOYSA-N 1 1 355.442 1.250 50 0 FDAAMO C[N@H+](CC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1 ZINC000048325470 221008279 /nfs/dbraw/zinc/00/82/79/221008279.db2.gz AOQBAXIJIUSNDS-UHFFFAOYSA-N 1 1 367.409 1.043 50 0 FDAAMO C[N@@H+](CC(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1 ZINC000048325470 221008282 /nfs/dbraw/zinc/00/82/82/221008282.db2.gz AOQBAXIJIUSNDS-UHFFFAOYSA-N 1 1 367.409 1.043 50 0 FDAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000048355803 221010125 /nfs/dbraw/zinc/01/01/25/221010125.db2.gz DRRDRBCRXJXACB-AWEZNQCLSA-N 1 1 350.463 1.232 50 0 FDAAMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccc(=O)[nH]c1 ZINC000051420362 221035568 /nfs/dbraw/zinc/03/55/68/221035568.db2.gz CMRICSCDVFMDCZ-UHFFFAOYSA-N 1 1 366.421 1.914 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(CC(=O)NCc3ccco3)CC2)cc1 ZINC000058265170 221111659 /nfs/dbraw/zinc/11/16/59/221111659.db2.gz YENVRAAJMYGBQK-UHFFFAOYSA-N 1 1 357.454 1.765 50 0 FDAAMO O=C(CNC(=O)c1ccc(F)c(F)c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000058406693 221117425 /nfs/dbraw/zinc/11/74/25/221117425.db2.gz DQYPWWRWGGQHSX-UHFFFAOYSA-N 1 1 373.403 1.869 50 0 FDAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(-n4cnnc4)nc3)CC2)c1 ZINC000063856776 221143018 /nfs/dbraw/zinc/14/30/18/221143018.db2.gz BXGORXUEJHQXBI-UHFFFAOYSA-N 1 1 362.437 1.929 50 0 FDAAMO CCn1c2c(C(=O)NCc3ccco3)cnn2c(=O)c2c1CC[N@@H+](C)C2 ZINC000064836011 221152530 /nfs/dbraw/zinc/15/25/30/221152530.db2.gz DYORLMTVHOZOBJ-UHFFFAOYSA-N 1 1 355.398 1.027 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)CCc2ccnc(N3CCCC3)c2)CC1 ZINC000065269668 221191197 /nfs/dbraw/zinc/19/11/97/221191197.db2.gz BZLWOANIEZZULT-UHFFFAOYSA-N 1 1 359.518 1.368 50 0 FDAAMO COc1ccc(C(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)cc1 ZINC000065363222 221202256 /nfs/dbraw/zinc/20/22/56/221202256.db2.gz RGWSXSYCLDFFNK-UHFFFAOYSA-N 1 1 352.398 1.821 50 0 FDAAMO CC[C@@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000065364685 221203756 /nfs/dbraw/zinc/20/37/56/221203756.db2.gz AWABRZXUEVHTMD-INIZCTEOSA-N 1 1 369.487 1.014 50 0 FDAAMO C[N@H+]1C[C@H](NC(=O)CCCC(=O)Nc2cccc(Cl)c2)C[C@H]1CO ZINC000065370831 221204114 /nfs/dbraw/zinc/20/41/14/221204114.db2.gz LDYYMNHURPGJAZ-CABCVRRESA-N 1 1 353.850 1.630 50 0 FDAAMO O=C1CCCN1CCC1CCN(c2nc(N3CCC(O)CC3)cc[nH+]2)CC1 ZINC000065399189 221212303 /nfs/dbraw/zinc/21/23/03/221212303.db2.gz POUWOKSTGVDNBD-UHFFFAOYSA-N 1 1 373.501 1.667 50 0 FDAAMO Cc1ccc(NC(=O)CCNC(=O)C[C@H]2C(=O)NCC[N@H+]2C(C)C)c(C)c1 ZINC000065406704 221214880 /nfs/dbraw/zinc/21/48/80/221214880.db2.gz POXUIETZTDVCRI-KRWDZBQOSA-N 1 1 374.485 1.347 50 0 FDAAMO Cc1ccc(NC(=O)CCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2C(C)C)c(C)c1 ZINC000065406704 221214883 /nfs/dbraw/zinc/21/48/83/221214883.db2.gz POXUIETZTDVCRI-KRWDZBQOSA-N 1 1 374.485 1.347 50 0 FDAAMO COc1ccc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C)C3)c2cccnc12 ZINC000065459394 221221353 /nfs/dbraw/zinc/22/13/53/221221353.db2.gz KHCYBEQQURZFMH-FOIQADDNSA-N 1 1 354.454 1.353 50 0 FDAAMO O[C@@H]1CCCN(c2cc[nH+]c(NCc3ccccc3-n3cncn3)n2)C1 ZINC000065528326 221231499 /nfs/dbraw/zinc/23/14/99/221231499.db2.gz NFCVVPOMQWXKPU-OAHLLOKOSA-N 1 1 351.414 1.631 50 0 FDAAMO O=C(CCNC(=O)c1ccc(F)cc1F)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000065550748 221232089 /nfs/dbraw/zinc/23/20/89/221232089.db2.gz TUIWVQXDELHOJA-AWEZNQCLSA-N 1 1 351.397 1.781 50 0 FDAAMO Cc1cnc(C[NH2+]C[C@]2(O)CCCN(CCc3ccccc3)C2=O)cn1 ZINC000067447269 221254247 /nfs/dbraw/zinc/25/42/47/221254247.db2.gz DWNJCTKJVOVFKX-HXUWFJFHSA-N 1 1 354.454 1.471 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@@H+](C)Cc2cccc3cnccc32)C1=O ZINC000067459859 221256072 /nfs/dbraw/zinc/25/60/72/221256072.db2.gz GWFLRENAOQOKSN-FQEVSTJZSA-N 1 1 357.454 1.667 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000067654401 221267018 /nfs/dbraw/zinc/26/70/18/221267018.db2.gz CMPATAPZWOGOSP-OAHLLOKOSA-N 1 1 358.442 1.753 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc2nc(C)[nH]c2c1 ZINC000067739868 221279391 /nfs/dbraw/zinc/27/93/91/221279391.db2.gz BBSBZCKXSCOGNS-PBHICJAKSA-N 1 1 357.458 1.210 50 0 FDAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N3CCOC[C@@H]3C)c2C)C1 ZINC000069653096 221326899 /nfs/dbraw/zinc/32/68/99/221326899.db2.gz PVXWXEXFBBQJPP-AWEZNQCLSA-N 1 1 369.469 1.815 50 0 FDAAMO O=C(NCCCO)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071405541 221346656 /nfs/dbraw/zinc/34/66/56/221346656.db2.gz MYKCTANCRVNGJZ-FQEVSTJZSA-N 1 1 373.541 1.904 50 0 FDAAMO Cc1ncc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071524061 221350662 /nfs/dbraw/zinc/35/06/62/221350662.db2.gz XBMYLTDLKHKTDP-HNNXBMFYSA-N 1 1 371.485 1.380 50 0 FDAAMO COCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071730436 221356702 /nfs/dbraw/zinc/35/67/02/221356702.db2.gz AMVWFDGYSZOILB-MRXNPFEDSA-N 1 1 374.485 1.047 50 0 FDAAMO CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071748053 221359172 /nfs/dbraw/zinc/35/91/72/221359172.db2.gz GKMHCWJNDXCFPB-KRWDZBQOSA-N 1 1 358.486 1.811 50 0 FDAAMO O=C(Cn1ncnn1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071751669 221361695 /nfs/dbraw/zinc/36/16/95/221361695.db2.gz QXZRIPPYBDRFKT-MORSLUCNSA-N 1 1 374.395 1.040 50 0 FDAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000071762720 221370191 /nfs/dbraw/zinc/37/01/91/221370191.db2.gz DJIBTAOVKQFTDT-HNNXBMFYSA-N 1 1 371.437 1.945 50 0 FDAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000071762720 221370192 /nfs/dbraw/zinc/37/01/92/221370192.db2.gz DJIBTAOVKQFTDT-HNNXBMFYSA-N 1 1 371.437 1.945 50 0 FDAAMO CCCn1cnnc1CN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071765257 221373027 /nfs/dbraw/zinc/37/30/27/221373027.db2.gz DCVTWPVAGAROPD-INIZCTEOSA-N 1 1 362.522 1.453 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000072125300 221410825 /nfs/dbraw/zinc/41/08/25/221410825.db2.gz XXRMVJHNDLSOIU-INIZCTEOSA-N 1 1 358.417 1.544 50 0 FDAAMO COc1ccc(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c(OC)c1OC ZINC000299790080 533566955 /nfs/dbraw/zinc/56/69/55/533566955.db2.gz AONLUTQRBZIOGC-GJZGRUSLSA-N 1 1 360.414 1.650 50 0 FDAAMO CCn1c(Cn2cccn2)nnc1C1CCN(c2cc[nH+]c(N)n2)CC1 ZINC000091738038 132203620 /nfs/dbraw/zinc/20/36/20/132203620.db2.gz VDHCMCYNFOKZFG-UHFFFAOYSA-N 1 1 353.434 1.299 50 0 FDAAMO O=C(CC[C@H]1CCC[N@H+](CCCO)C1)N1CCN(c2ccccn2)CC1 ZINC000095501944 132212253 /nfs/dbraw/zinc/21/22/53/132212253.db2.gz VNAXGJZZBPZWKH-GOSISDBHSA-N 1 1 360.502 1.605 50 0 FDAAMO CN(C)c1nc(N2CCN(Cc3cn(C)nc3C(F)F)CC2)cc[nH+]1 ZINC000170598067 132264536 /nfs/dbraw/zinc/26/45/36/132264536.db2.gz BFRZJZRWALUEOQ-UHFFFAOYSA-N 1 1 351.405 1.536 50 0 FDAAMO C[NH+](C)[C@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccc2c(c1)OCO2 ZINC000220654217 132276038 /nfs/dbraw/zinc/27/60/38/132276038.db2.gz JMMBVAMJKXYFQT-IBGZPJMESA-N 1 1 368.437 1.762 50 0 FDAAMO c1nnc2nccc(N3CC[NH+](C[C@H]4COc5ccccc5O4)CC3)n12 ZINC000252481406 132292163 /nfs/dbraw/zinc/29/21/63/132292163.db2.gz CKOFVGPFTIZAPN-AWEZNQCLSA-N 1 1 352.398 1.086 50 0 FDAAMO OCCNc1nc(N2CCC(c3cc[nH]n3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299779057 132299650 /nfs/dbraw/zinc/29/96/50/132299650.db2.gz UAMGOGYWLJCQND-CQSZACIVSA-N 1 1 358.446 1.492 50 0 FDAAMO CC(C)CN1C[C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000040087028 136119179 /nfs/dbraw/zinc/11/91/79/136119179.db2.gz XPKHWUKZLMJNGD-GOSISDBHSA-N 1 1 372.513 1.429 50 0 FDAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC000055271791 136126443 /nfs/dbraw/zinc/12/64/43/136126443.db2.gz QNPPAEWZSHBONH-CQSZACIVSA-N 1 1 350.850 1.699 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3cnccn3)CC2)C1)N1CCOCC1 ZINC000071661898 136139586 /nfs/dbraw/zinc/13/95/86/136139586.db2.gz PMAHMGDFLPUSBM-INIZCTEOSA-N 1 1 359.474 1.016 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(c3ncc(F)cn3)CC2)C1)N1CCCC1 ZINC000071748918 136139973 /nfs/dbraw/zinc/13/99/73/136139973.db2.gz MDLBSYCTPLGIOU-HNNXBMFYSA-N 1 1 361.465 1.919 50 0 FDAAMO C[N@H+]1CCN(c2cc(Sc3cccs3)nc(N)n2)C[C@@H]1CCO ZINC000072418880 136145862 /nfs/dbraw/zinc/14/58/62/136145862.db2.gz WKKHGKNTPAXTKH-NSHDSACASA-N 1 1 351.501 1.774 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3nc(C)ccc3C(N)=O)C[C@H]2CCO)o1 ZINC000072424038 136146235 /nfs/dbraw/zinc/14/62/35/136146235.db2.gz LZFQFVYFJGJUDO-OAHLLOKOSA-N 1 1 358.442 1.464 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3nc(C)ccc3C(N)=O)C[C@H]2CCO)o1 ZINC000072424038 136146236 /nfs/dbraw/zinc/14/62/36/136146236.db2.gz LZFQFVYFJGJUDO-OAHLLOKOSA-N 1 1 358.442 1.464 50 0 FDAAMO OCCCN1CCN(c2nc(C3CCCC3)nc3c2CC[NH2+]CC3)CC1 ZINC000072428237 136146568 /nfs/dbraw/zinc/14/65/68/136146568.db2.gz IEKCBDMYMHJJLX-UHFFFAOYSA-N 1 1 359.518 1.327 50 0 FDAAMO COc1cccc(C[N@@H+]2CCN(c3nccnc3OC)C[C@@H]2CCO)c1 ZINC000072454402 136148499 /nfs/dbraw/zinc/14/84/99/136148499.db2.gz NCWAMPJFHKCFDN-INIZCTEOSA-N 1 1 358.442 1.567 50 0 FDAAMO COc1cccc(C[N@H+]2CCN(c3nccnc3OC)C[C@@H]2CCO)c1 ZINC000072454402 136148500 /nfs/dbraw/zinc/14/85/00/136148500.db2.gz NCWAMPJFHKCFDN-INIZCTEOSA-N 1 1 358.442 1.567 50 0 FDAAMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2nc(C)no2)C1 ZINC000111864335 172560918 /nfs/dbraw/zinc/56/09/18/172560918.db2.gz CRRSAQXWGSQALR-HUUCEWRRSA-N 1 1 351.451 1.378 50 0 FDAAMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891519 173354661 /nfs/dbraw/zinc/35/46/61/173354661.db2.gz SUJCDMBYNNJRJV-WMLDXEAASA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC(=O)NC(=O)NC ZINC000135891519 173354662 /nfs/dbraw/zinc/35/46/62/173354662.db2.gz SUJCDMBYNNJRJV-WMLDXEAASA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CC(=O)NC(=O)NC ZINC000135891519 173354663 /nfs/dbraw/zinc/35/46/63/173354663.db2.gz SUJCDMBYNNJRJV-WMLDXEAASA-N 1 1 361.490 1.378 50 0 FDAAMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC(=O)NC(=O)NC ZINC000135891519 173354664 /nfs/dbraw/zinc/35/46/64/173354664.db2.gz SUJCDMBYNNJRJV-WMLDXEAASA-N 1 1 361.490 1.378 50 0 FDAAMO Cc1cccc2ncc(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)c(=O)n12 ZINC000095518826 221945541 /nfs/dbraw/zinc/94/55/41/221945541.db2.gz CTKVBYMLFDYZGA-IAGOWNOFSA-N 1 1 366.465 1.949 50 0 FDAAMO COc1cccc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000096279979 222109900 /nfs/dbraw/zinc/10/99/00/222109900.db2.gz LRTFCDRWONRBDY-RBUKOAKNSA-N 1 1 373.497 1.667 50 0 FDAAMO CCNC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2O)cc1Cl ZINC000096150972 222051611 /nfs/dbraw/zinc/05/16/11/222051611.db2.gz ZRUCLXFACHPGHA-GJZGRUSLSA-N 1 1 368.865 1.665 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC2 ZINC000097294658 222172849 /nfs/dbraw/zinc/17/28/49/222172849.db2.gz XOKYQEFLDSSMSU-UHFFFAOYSA-N 1 1 364.833 1.998 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC2 ZINC000097294658 222172855 /nfs/dbraw/zinc/17/28/55/222172855.db2.gz XOKYQEFLDSSMSU-UHFFFAOYSA-N 1 1 364.833 1.998 50 0 FDAAMO O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1ccnc(-n2cnnc2)c1 ZINC000097437017 222180150 /nfs/dbraw/zinc/18/01/50/222180150.db2.gz MQFXWDSTAVCMTF-UHFFFAOYSA-N 1 1 356.430 1.037 50 0 FDAAMO Cc1[nH]c2c(c1CC(=O)NCC[N@H+]1CCC[C@@H](C(N)=O)C1)c(C)ccc2C ZINC000097506067 222187356 /nfs/dbraw/zinc/18/73/56/222187356.db2.gz FYIXGUDQDWIQRF-MRXNPFEDSA-N 1 1 370.497 1.949 50 0 FDAAMO CN(C)C1=NC(=O)C2(CC[NH+](Cc3ccc([C@@H]4CCCO4)s3)CC2)N1 ZINC000097575160 222194485 /nfs/dbraw/zinc/19/44/85/222194485.db2.gz AHVAZTLOHJERTP-AWEZNQCLSA-N 1 1 362.499 1.982 50 0 FDAAMO NC(=O)N1CCC[C@@H](C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000097679717 222206242 /nfs/dbraw/zinc/20/62/42/222206242.db2.gz NAYPOYXRKLYQEZ-LJQANCHMSA-N 1 1 372.513 1.944 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N(CCO)Cc1cccs1 ZINC000097785624 222212318 /nfs/dbraw/zinc/21/23/18/222212318.db2.gz YEMWBMHYPWJMCP-HNNXBMFYSA-N 1 1 352.500 1.960 50 0 FDAAMO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccc(-n2cnnc2)nc1 ZINC000097823525 222215702 /nfs/dbraw/zinc/21/57/02/222215702.db2.gz ASGPETYEOHAWFE-SFHVURJKSA-N 1 1 362.437 1.882 50 0 FDAAMO CCCCN1C(=O)NC(=O)C(=C(CC)NCC[NH+]2CCCCC2)C1=O ZINC000101033241 222260628 /nfs/dbraw/zinc/26/06/28/222260628.db2.gz BDIOMMLNIWIANN-CCEZHUSRSA-N 1 1 350.463 1.605 50 0 FDAAMO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101183371 222264859 /nfs/dbraw/zinc/26/48/59/222264859.db2.gz RHEZTYQRAMSEBZ-HDICACEKSA-N 1 1 367.449 1.282 50 0 FDAAMO O=C(c1cnc(-c2ncccn2)s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000329543490 259100850 /nfs/dbraw/zinc/10/08/50/259100850.db2.gz FMIGSUFOAZKIFC-CYBMUJFWSA-N 1 1 359.455 1.394 50 0 FDAAMO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000035374819 263398297 /nfs/dbraw/zinc/39/82/97/263398297.db2.gz HWZNOCCEAGAHOW-LRDDRELGSA-N 1 1 367.405 1.573 50 0 FDAAMO CCN(CC)C(=O)[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1O ZINC000004742402 518311307 /nfs/dbraw/zinc/31/13/07/518311307.db2.gz RAWGDJHFEWGEEX-IKGGRYGDSA-N 1 1 362.470 1.852 50 0 FDAAMO COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000010330888 518534424 /nfs/dbraw/zinc/53/44/24/518534424.db2.gz BCMGJXDWYATICO-CQSZACIVSA-N 1 1 361.398 1.654 50 0 FDAAMO O[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011821767 518573725 /nfs/dbraw/zinc/57/37/25/518573725.db2.gz USDSWNUVRJRUQM-NHCUHLMSSA-N 1 1 370.472 1.978 50 0 FDAAMO O[C@@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000011821767 518573735 /nfs/dbraw/zinc/57/37/35/518573735.db2.gz USDSWNUVRJRUQM-NHCUHLMSSA-N 1 1 370.472 1.978 50 0 FDAAMO CC(C)(C)NC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011843723 518574799 /nfs/dbraw/zinc/57/47/99/518574799.db2.gz LGWQKBOIMFFKRF-CQSZACIVSA-N 1 1 350.507 1.950 50 0 FDAAMO COc1ccc(C[N@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000012896827 518640251 /nfs/dbraw/zinc/64/02/51/518640251.db2.gz JIXZMNSJMXWJTB-GOSISDBHSA-N 1 1 369.421 1.407 50 0 FDAAMO COc1ccc(C[N@@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000012896827 518640253 /nfs/dbraw/zinc/64/02/53/518640253.db2.gz JIXZMNSJMXWJTB-GOSISDBHSA-N 1 1 369.421 1.407 50 0 FDAAMO C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811824 518914095 /nfs/dbraw/zinc/91/40/95/518914095.db2.gz DICORDXSVDFUNY-IRXDYDNUSA-N 1 1 366.550 1.604 50 0 FDAAMO C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000022811824 518914100 /nfs/dbraw/zinc/91/41/00/518914100.db2.gz DICORDXSVDFUNY-IRXDYDNUSA-N 1 1 366.550 1.604 50 0 FDAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CSc2nnc(N)s2)CC1 ZINC000026898593 519145512 /nfs/dbraw/zinc/14/55/12/519145512.db2.gz PNXBWOSEVQVKTQ-UHFFFAOYSA-N 1 1 363.512 1.865 50 0 FDAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000029695496 519312480 /nfs/dbraw/zinc/31/24/80/519312480.db2.gz RZSLTTCNNHYSNU-SFHVURJKSA-N 1 1 356.470 1.621 50 0 FDAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000029695496 519312486 /nfs/dbraw/zinc/31/24/86/519312486.db2.gz RZSLTTCNNHYSNU-SFHVURJKSA-N 1 1 356.470 1.621 50 0 FDAAMO O=C(NCc1ccc2c(c1)OCO2)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000031081574 519410076 /nfs/dbraw/zinc/41/00/76/519410076.db2.gz SLVRYRVBHWZMFW-MRXNPFEDSA-N 1 1 361.442 1.812 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3nc(CC)sc3n2)C1 ZINC000032758259 519533671 /nfs/dbraw/zinc/53/36/71/519533671.db2.gz KYAMZQLRZAYOOE-NSHDSACASA-N 1 1 350.444 1.489 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3nc(CC)sc3n2)C1 ZINC000032758259 519533678 /nfs/dbraw/zinc/53/36/78/519533678.db2.gz KYAMZQLRZAYOOE-NSHDSACASA-N 1 1 350.444 1.489 50 0 FDAAMO CCc1nn2c(nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)cc2=O)s1 ZINC000032753412 519534821 /nfs/dbraw/zinc/53/48/21/519534821.db2.gz NTSMIGMBWPCQIJ-CYBMUJFWSA-N 1 1 372.450 1.985 50 0 FDAAMO CCc1nn2c(nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)cc2=O)s1 ZINC000032753412 519534828 /nfs/dbraw/zinc/53/48/28/519534828.db2.gz NTSMIGMBWPCQIJ-CYBMUJFWSA-N 1 1 372.450 1.985 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000032802703 519539570 /nfs/dbraw/zinc/53/95/70/519539570.db2.gz BXNQRSZLJBSEEZ-AWEZNQCLSA-N 1 1 366.462 1.612 50 0 FDAAMO COCCCNC(=O)N1CC[NH+](CCn2c(C)nc3cccnc32)CC1 ZINC000033139709 519573625 /nfs/dbraw/zinc/57/36/25/519573625.db2.gz LXPUDVXGYBDJLC-UHFFFAOYSA-N 1 1 360.462 1.103 50 0 FDAAMO CC[C@H](O)C[N@@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000034667321 519593517 /nfs/dbraw/zinc/59/35/17/519593517.db2.gz XUKBVRNKIUUYAQ-ROUUACIJSA-N 1 1 350.459 1.247 50 0 FDAAMO CC[C@H](O)C[N@H+]1CCO[C@H](CN(CCOC)C(=O)c2ccccc2)C1 ZINC000034667321 519593525 /nfs/dbraw/zinc/59/35/25/519593525.db2.gz XUKBVRNKIUUYAQ-ROUUACIJSA-N 1 1 350.459 1.247 50 0 FDAAMO C[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677150 519594475 /nfs/dbraw/zinc/59/44/75/519594475.db2.gz PLZYXIRNAOZHAH-ZDUSSCGKSA-N 1 1 362.405 1.564 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000036391715 519622159 /nfs/dbraw/zinc/62/21/59/519622159.db2.gz QVMWWBVEPIOJJD-DNVCBOLYSA-N 1 1 358.442 1.884 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000036391715 519622164 /nfs/dbraw/zinc/62/21/64/519622164.db2.gz QVMWWBVEPIOJJD-DNVCBOLYSA-N 1 1 358.442 1.884 50 0 FDAAMO CCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000000638562 519869317 /nfs/dbraw/zinc/86/93/17/519869317.db2.gz PSXGCXFMZBZSKZ-UHFFFAOYSA-N 1 1 359.430 1.678 50 0 FDAAMO CC[NH+]1CCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000020920494 521686048 /nfs/dbraw/zinc/68/60/48/521686048.db2.gz LYWYTJFYASBHQX-IBGZPJMESA-N 1 1 367.440 1.456 50 0 FDAAMO O=C(CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)Nc1nncs1 ZINC000044892896 522016795 /nfs/dbraw/zinc/01/67/95/522016795.db2.gz PNGHXIVVXKHMPB-UHFFFAOYSA-N 1 1 360.443 1.004 50 0 FDAAMO O=C(c1ccc(CN2CCCC2)o1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072120772 522153945 /nfs/dbraw/zinc/15/39/45/522153945.db2.gz IYNDLDNHJWUUHV-KRWDZBQOSA-N 1 1 361.486 1.937 50 0 FDAAMO O=C(c1ccc(CN2CCCC2)o1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072120772 522153957 /nfs/dbraw/zinc/15/39/57/522153957.db2.gz IYNDLDNHJWUUHV-KRWDZBQOSA-N 1 1 361.486 1.937 50 0 FDAAMO COc1cccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c1 ZINC000072137035 522164328 /nfs/dbraw/zinc/16/43/28/522164328.db2.gz YSQRXOBYXHFKFM-OAQYLSRUSA-N 1 1 365.433 1.671 50 0 FDAAMO CC(C)CS(=O)(=O)CCNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072151069 522178506 /nfs/dbraw/zinc/17/85/06/522178506.db2.gz INIZNBKEABTPIP-UHFFFAOYSA-N 1 1 361.471 1.625 50 0 FDAAMO O=C(NCc1ccccn1)[C@H]1CN(c2nc3ccccc3s2)CC[NH2+]1 ZINC000072168639 522196628 /nfs/dbraw/zinc/19/66/28/522196628.db2.gz JVRJADFVZOALHZ-OAHLLOKOSA-N 1 1 353.451 1.786 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000072241395 522202353 /nfs/dbraw/zinc/20/23/53/522202353.db2.gz DTBLMWUXNYFWNZ-IAGOWNOFSA-N 1 1 365.861 1.402 50 0 FDAAMO CC(C)CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000046141025 522234444 /nfs/dbraw/zinc/23/44/44/522234444.db2.gz ULRSLYLZIGWITJ-UHFFFAOYSA-N 1 1 353.488 1.020 50 0 FDAAMO CCCN1CC2(C[C@H]1C(=O)NCc1nnc(CC)s1)CC[NH+](C)CC2 ZINC000072409016 522238572 /nfs/dbraw/zinc/23/85/72/522238572.db2.gz STMOTXXYSWKDGU-AWEZNQCLSA-N 1 1 365.547 1.913 50 0 FDAAMO CCn1cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c(C)n1 ZINC000072423628 522257232 /nfs/dbraw/zinc/25/72/32/522257232.db2.gz XNJFAYRPCIQOBQ-HXUWFJFHSA-N 1 1 367.453 1.187 50 0 FDAAMO O=C(c1ccc(=O)[nH]c1)N1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000072426686 522262260 /nfs/dbraw/zinc/26/22/60/522262260.db2.gz DHZCEOHLELEHBK-LJQANCHMSA-N 1 1 369.465 1.517 50 0 FDAAMO Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3[NH2+]CCc4nc[nH]c43)n2)c1 ZINC000072430158 522265959 /nfs/dbraw/zinc/26/59/59/522265959.db2.gz QZFQRHGLXYGITI-INIZCTEOSA-N 1 1 352.398 1.614 50 0 FDAAMO Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)on1 ZINC000072438275 522277127 /nfs/dbraw/zinc/27/71/27/522277127.db2.gz PAKNBAZLJSKZHK-OAHLLOKOSA-N 1 1 360.462 1.323 50 0 FDAAMO Cc1cc(C)n(-c2cc(NCCNC(=O)c3ncccn3)[nH+]c(C)n2)n1 ZINC000072441487 522279453 /nfs/dbraw/zinc/27/94/53/522279453.db2.gz MPFXHHZGSDHEEK-UHFFFAOYSA-N 1 1 352.402 1.219 50 0 FDAAMO CN(C)c1[nH+]cnc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1N ZINC000075103619 522878492 /nfs/dbraw/zinc/87/84/92/522878492.db2.gz NGJLJFPAKDQDDX-HNNXBMFYSA-N 1 1 360.437 1.749 50 0 FDAAMO CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000077407643 523327521 /nfs/dbraw/zinc/32/75/21/523327521.db2.gz HUKINWSZRFVJHI-FQEVSTJZSA-N 1 1 358.486 1.417 50 0 FDAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)CSc2nc(C)cc(=O)[nH]2)C1 ZINC000077438959 523337268 /nfs/dbraw/zinc/33/72/68/523337268.db2.gz PZDXDIITLFEPGK-CQSZACIVSA-N 1 1 361.471 1.614 50 0 FDAAMO CCn1cc(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c(C)n1 ZINC000091320810 523371915 /nfs/dbraw/zinc/37/19/15/523371915.db2.gz NKRYYLRZCBTYSX-INIZCTEOSA-N 1 1 368.489 1.964 50 0 FDAAMO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000079088660 523635501 /nfs/dbraw/zinc/63/55/01/523635501.db2.gz YQJGNUYSKGSMSN-ZVUFPHILSA-N 1 1 371.547 1.430 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)[C@@H]1COCCO1 ZINC000068124753 523705163 /nfs/dbraw/zinc/70/51/63/523705163.db2.gz GHONZDUOJNLPHP-KRWDZBQOSA-N 1 1 367.877 1.384 50 0 FDAAMO CN1CCC[N@@H+](CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091620353 523806621 /nfs/dbraw/zinc/80/66/21/523806621.db2.gz JZSTUZJPYDJSGR-LJQANCHMSA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@@H+]1CCCN(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091620353 523806624 /nfs/dbraw/zinc/80/66/24/523806624.db2.gz JZSTUZJPYDJSGR-LJQANCHMSA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@H+]1CCCN(CCC(=O)N2CC[C@H](Cc3cccc(CO)c3)C2)CC1 ZINC000091620353 523806632 /nfs/dbraw/zinc/80/66/32/523806632.db2.gz JZSTUZJPYDJSGR-LJQANCHMSA-N 1 1 359.514 1.598 50 0 FDAAMO C[NH+]1CCN(C(=O)C[C@H](C(=O)N2CCc3ccccc32)n2ccnc2)CC1 ZINC000020682865 523875103 /nfs/dbraw/zinc/87/51/03/523875103.db2.gz WNJRMQMBGBHJCF-GOSISDBHSA-N 1 1 367.453 1.178 50 0 FDAAMO CN1CC[NH+](Cn2cc(CCC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000020650958 523913625 /nfs/dbraw/zinc/91/36/25/523913625.db2.gz VMWLQQJYYQWKOG-UHFFFAOYSA-N 1 1 370.497 1.638 50 0 FDAAMO CCC[C@@H]1C[N@H+](Cc2ccc3nsnc3c2)C[C@H]1NS(C)(=O)=O ZINC000082106214 524210372 /nfs/dbraw/zinc/21/03/72/524210372.db2.gz ZBVRNBFDBAJEGK-IUODEOHRSA-N 1 1 354.501 1.841 50 0 FDAAMO CCC[C@@H]1C[N@@H+](Cc2ccc3nsnc3c2)C[C@H]1NS(C)(=O)=O ZINC000082106214 524210384 /nfs/dbraw/zinc/21/03/84/524210384.db2.gz ZBVRNBFDBAJEGK-IUODEOHRSA-N 1 1 354.501 1.841 50 0 FDAAMO Cn1cc(N2CC[C@H](N3CC[NH+](CCOc4ccccc4)CC3)C2=O)cn1 ZINC000111194281 524213519 /nfs/dbraw/zinc/21/35/19/524213519.db2.gz YBXQQLWDTARXTB-IBGZPJMESA-N 1 1 369.469 1.222 50 0 FDAAMO Cc1cccc(N(CCCC(=O)N2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000020567972 524525158 /nfs/dbraw/zinc/52/51/58/524525158.db2.gz QUTMEOMHBYLMHW-UHFFFAOYSA-N 1 1 353.488 1.315 50 0 FDAAMO CC(C)(C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2)N1CCOCC1 ZINC000091269864 524687963 /nfs/dbraw/zinc/68/79/63/524687963.db2.gz ABAVZDXQSAQXTH-PKOBYXMFSA-N 1 1 372.513 1.729 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](C[C@H](C)C(F)(F)F)CC2 ZINC000091519216 524719487 /nfs/dbraw/zinc/71/94/87/524719487.db2.gz DVJGOBJWXLKZLI-LBPRGKRZSA-N 1 1 374.407 1.930 50 0 FDAAMO Cc1ncc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)c(=O)[nH]1 ZINC000091535148 524721551 /nfs/dbraw/zinc/72/15/51/524721551.db2.gz ABYARULHKXOFCW-GDBMZVCRSA-N 1 1 353.426 1.210 50 0 FDAAMO Cc1[nH+]c(N2CCCC2)nc(N2CC[C@]3(C2)CCCN(CCO)C3=O)c1C ZINC000091620481 524743085 /nfs/dbraw/zinc/74/30/85/524743085.db2.gz SOIWMZYLYZQACF-FQEVSTJZSA-N 1 1 373.501 1.505 50 0 FDAAMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)ccc1F ZINC000091645114 524752165 /nfs/dbraw/zinc/75/21/65/524752165.db2.gz NJLQLOULRXAVJN-HUUCEWRRSA-N 1 1 371.478 1.537 50 0 FDAAMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(S(=O)(=O)N(C)C)C3)ccc1F ZINC000091645114 524752171 /nfs/dbraw/zinc/75/21/71/524752171.db2.gz NJLQLOULRXAVJN-HUUCEWRRSA-N 1 1 371.478 1.537 50 0 FDAAMO C[C@@H]1CN(C(=O)C[N@H+]2C[C@H](Nc3ncccn3)[C@@H](C3CC3)C2)C[C@H](C)O1 ZINC000091690665 524761672 /nfs/dbraw/zinc/76/16/72/524761672.db2.gz CYCCYPSRNLAIPW-WTTBNOFXSA-N 1 1 359.474 1.235 50 0 FDAAMO Cc1nnc(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)[nH]1 ZINC000091724979 524766651 /nfs/dbraw/zinc/76/66/51/524766651.db2.gz CJHOXQZSGXCCGT-HUUCEWRRSA-N 1 1 367.519 1.148 50 0 FDAAMO Cc1n[nH]c(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000091724979 524766659 /nfs/dbraw/zinc/76/66/59/524766659.db2.gz CJHOXQZSGXCCGT-HUUCEWRRSA-N 1 1 367.519 1.148 50 0 FDAAMO CC(C)c1ncc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)cn1 ZINC000091747039 524773941 /nfs/dbraw/zinc/77/39/41/524773941.db2.gz FHGCARQNLHBNSA-RTBURBONSA-N 1 1 361.534 1.278 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(F)c1 ZINC000091793639 524784159 /nfs/dbraw/zinc/78/41/59/524784159.db2.gz RLXLOSKTSCFHOJ-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c(F)c1 ZINC000091793639 524784171 /nfs/dbraw/zinc/78/41/71/524784171.db2.gz RLXLOSKTSCFHOJ-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C[N@@H+]1CC ZINC000091846696 524797723 /nfs/dbraw/zinc/79/77/23/524797723.db2.gz VTWZGOVWVMLZIA-GUYCJALGSA-N 1 1 371.441 1.111 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C[N@H+]1CC ZINC000091846696 524797734 /nfs/dbraw/zinc/79/77/34/524797734.db2.gz VTWZGOVWVMLZIA-GUYCJALGSA-N 1 1 371.441 1.111 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCOc1ccc(F)cc1)C2 ZINC000091951429 524815697 /nfs/dbraw/zinc/81/56/97/524815697.db2.gz ZEXBZIGRXURAEQ-GDBMZVCRSA-N 1 1 371.478 1.407 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000092080648 524845270 /nfs/dbraw/zinc/84/52/70/524845270.db2.gz QLCSVDUIWZOXGD-KGLIPLIRSA-N 1 1 370.877 1.694 50 0 FDAAMO Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000092107528 524848279 /nfs/dbraw/zinc/84/82/79/524848279.db2.gz IOVBSJPBKOWOGR-WOJBJXKFSA-N 1 1 370.497 1.553 50 0 FDAAMO Cn1c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2nc1N1CCOCC1 ZINC000095358219 525031873 /nfs/dbraw/zinc/03/18/73/525031873.db2.gz QDJSKCBTLZYLRH-UHFFFAOYSA-N 1 1 357.458 1.188 50 0 FDAAMO CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2CCOCC2)C3)cs1 ZINC000095358311 525031978 /nfs/dbraw/zinc/03/19/78/525031978.db2.gz HDLUWFZEBXEFHW-GXTWGEPZSA-N 1 1 350.488 1.900 50 0 FDAAMO O=C(c1cnc(-c2ccncc2)nc1)N1CC[NH+](CCn2cccc2)CC1 ZINC000095358858 525035364 /nfs/dbraw/zinc/03/53/64/525035364.db2.gz UBIHTQIKUBIWFD-UHFFFAOYSA-N 1 1 362.437 1.798 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccn(C(C)(C)C)c1)C2 ZINC000095359879 525035519 /nfs/dbraw/zinc/03/55/19/525035519.db2.gz PRDFFMHNZIIAJO-DOTOQJQBSA-N 1 1 360.502 1.868 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccn(C(C)(C)C)c1)C2 ZINC000095359879 525035530 /nfs/dbraw/zinc/03/55/30/525035530.db2.gz PRDFFMHNZIIAJO-DOTOQJQBSA-N 1 1 360.502 1.868 50 0 FDAAMO CSC[C@H](CCO)Nc1nc(N[C@@H](CCO)CSC)c(C)c[nH+]1 ZINC000095409760 525066860 /nfs/dbraw/zinc/06/68/60/525066860.db2.gz KQMGKWQYDRVZFE-STQMWFEESA-N 1 1 360.549 1.837 50 0 FDAAMO O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000095465204 525073551 /nfs/dbraw/zinc/07/35/51/525073551.db2.gz PGCQEJUYZVTWST-UHFFFAOYSA-N 1 1 368.437 1.452 50 0 FDAAMO O=C(c1ccc2c(c1)ncn2CCO)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095506243 525089076 /nfs/dbraw/zinc/08/90/76/525089076.db2.gz IAUWEXYXPCVENI-SJLPKXTDSA-N 1 1 368.481 1.975 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCCN1C(N)=O)CC2 ZINC000095516843 525094821 /nfs/dbraw/zinc/09/48/21/525094821.db2.gz IALJIQKEYPTPDB-HNNXBMFYSA-N 1 1 374.489 1.039 50 0 FDAAMO c1nnc2cc(N3CC[NH+](Cc4c[nH]nc4-c4ccccc4)CC3)cnn12 ZINC000097077010 525170196 /nfs/dbraw/zinc/17/01/96/525170196.db2.gz GORYGOCNFUUGQI-UHFFFAOYSA-N 1 1 360.425 1.837 50 0 FDAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCCc2ccccc2OC(F)(F)F)C1 ZINC000097813798 525194851 /nfs/dbraw/zinc/19/48/51/525194851.db2.gz CFBPMBKDKGLDAT-CQSZACIVSA-N 1 1 359.392 1.880 50 0 FDAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCCc1ccccc1OC(F)(F)F ZINC000097813798 525194856 /nfs/dbraw/zinc/19/48/56/525194856.db2.gz CFBPMBKDKGLDAT-CQSZACIVSA-N 1 1 359.392 1.880 50 0 FDAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCCc1ccccc1OC(F)(F)F ZINC000097813798 525194861 /nfs/dbraw/zinc/19/48/61/525194861.db2.gz CFBPMBKDKGLDAT-CQSZACIVSA-N 1 1 359.392 1.880 50 0 FDAAMO COc1cccc(C(=O)N2CCN(C(=O)CCCn3cc[nH+]c3C)CC2)c1 ZINC000082100258 525800924 /nfs/dbraw/zinc/80/09/24/525800924.db2.gz HQAKDJNBEXSZST-UHFFFAOYSA-N 1 1 370.453 1.965 50 0 FDAAMO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CC[NH+](CCO)CC1 ZINC000078234062 526505768 /nfs/dbraw/zinc/50/57/68/526505768.db2.gz FUHDDUUOOHIAMF-UHFFFAOYSA-N 1 1 355.438 1.096 50 0 FDAAMO Cc1nonc1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1c(C)noc1C)C2 ZINC000091643564 526702706 /nfs/dbraw/zinc/70/27/06/526702706.db2.gz VBDFNRSMQINGAX-LSDHHAIUSA-N 1 1 359.430 1.648 50 0 FDAAMO O=C(CN1CC[NH+](C[C@@H](O)c2cccs2)CC1)N1CCCCCC1 ZINC000085436927 526773168 /nfs/dbraw/zinc/77/31/68/526773168.db2.gz ZELOYQOGQJOQKA-MRXNPFEDSA-N 1 1 351.516 1.802 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)C1 ZINC000091288543 526883501 /nfs/dbraw/zinc/88/35/01/526883501.db2.gz TXDLFRSRLMHCBI-LBPRGKRZSA-N 1 1 359.348 1.399 50 0 FDAAMO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)[C@H]1CC[C@H](O)CC1 ZINC000299785392 527012258 /nfs/dbraw/zinc/01/22/58/527012258.db2.gz ZFEMYXDAOXDRKM-GARSLRHBSA-N 1 1 369.509 1.221 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)c3cccnc3)CC2)n1C ZINC000091656155 527449504 /nfs/dbraw/zinc/44/95/04/527449504.db2.gz DFUORCGNNAOZRP-UHFFFAOYSA-N 1 1 365.441 1.783 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082115912 527568357 /nfs/dbraw/zinc/56/83/57/527568357.db2.gz GAKOHFUMEVOLIH-HXUWFJFHSA-N 1 1 368.485 1.834 50 0 FDAAMO Nc1ncccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082115912 527568363 /nfs/dbraw/zinc/56/83/63/527568363.db2.gz GAKOHFUMEVOLIH-HXUWFJFHSA-N 1 1 368.485 1.834 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000082115912 527568364 /nfs/dbraw/zinc/56/83/64/527568364.db2.gz GAKOHFUMEVOLIH-HXUWFJFHSA-N 1 1 368.485 1.834 50 0 FDAAMO COCCN1CC[C@]2(CN(c3ccc(C(C)=O)cn3)CC[N@H+]2C)CCC1=O ZINC000091503769 536879443 /nfs/dbraw/zinc/87/94/43/536879443.db2.gz XQHKDYAJWQWARD-FQEVSTJZSA-N 1 1 374.485 1.434 50 0 FDAAMO COc1cccc(C(=O)[C@H]2CCCN(c3cc(NCCO)[nH+]cn3)C2)c1 ZINC000071524384 537088860 /nfs/dbraw/zinc/08/88/60/537088860.db2.gz FZRVPYCWVPBBHP-HNNXBMFYSA-N 1 1 356.426 1.989 50 0 FDAAMO Cc1cc(NC(=O)CN2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)no1 ZINC000193349302 537245780 /nfs/dbraw/zinc/24/57/80/537245780.db2.gz KPSDSMUOCYCZHT-QGZVFWFLSA-N 1 1 358.442 1.143 50 0 FDAAMO CN1CCN(CCOc2ccccc2C[NH+]2CCC(C)(CO)CC2)CC1 ZINC000215458110 537436387 /nfs/dbraw/zinc/43/63/87/537436387.db2.gz VZVDGYHBMGXSFM-UHFFFAOYSA-N 1 1 361.530 1.907 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000215977561 537444881 /nfs/dbraw/zinc/44/48/81/537444881.db2.gz JJOCJFSSDIIKEQ-GOSISDBHSA-N 1 1 354.454 1.835 50 0 FDAAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000215977561 537444893 /nfs/dbraw/zinc/44/48/93/537444893.db2.gz JJOCJFSSDIIKEQ-GOSISDBHSA-N 1 1 354.454 1.835 50 0 FDAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000219093466 537471610 /nfs/dbraw/zinc/47/16/10/537471610.db2.gz DXADPHVZXIAJPQ-IBGZPJMESA-N 1 1 366.465 1.746 50 0 FDAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000219093466 537471613 /nfs/dbraw/zinc/47/16/13/537471613.db2.gz DXADPHVZXIAJPQ-IBGZPJMESA-N 1 1 366.465 1.746 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](O)C1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000219732073 537479498 /nfs/dbraw/zinc/47/94/98/537479498.db2.gz JJVFFQPUMBLKIN-JTQLQIEISA-N 1 1 352.341 1.088 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](O)C1)NCc1noc(-c2c(F)cccc2F)n1 ZINC000219732073 537479506 /nfs/dbraw/zinc/47/95/06/537479506.db2.gz JJVFFQPUMBLKIN-JTQLQIEISA-N 1 1 352.341 1.088 50 0 FDAAMO C[N@H+](CCC(=O)NCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000220622541 537491807 /nfs/dbraw/zinc/49/18/07/537491807.db2.gz OWKDZAAECHYRBV-GFCCVEGCSA-N 1 1 373.544 1.566 50 0 FDAAMO C[N@@H+](CCC(=O)NCc1nc(C(C)(C)C)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000220622541 537491815 /nfs/dbraw/zinc/49/18/15/537491815.db2.gz OWKDZAAECHYRBV-GFCCVEGCSA-N 1 1 373.544 1.566 50 0 FDAAMO COC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000223480526 537526852 /nfs/dbraw/zinc/52/68/52/537526852.db2.gz GXLPZIZNAYKQDZ-QGZVFWFLSA-N 1 1 360.458 1.737 50 0 FDAAMO COC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000223480526 537526859 /nfs/dbraw/zinc/52/68/59/537526859.db2.gz GXLPZIZNAYKQDZ-QGZVFWFLSA-N 1 1 360.458 1.737 50 0 FDAAMO Cc1ccnc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC000240936828 537645891 /nfs/dbraw/zinc/64/58/91/537645891.db2.gz SELDNFAEWGHWTB-HZPDHXFCSA-N 1 1 373.482 1.024 50 0 FDAAMO Cc1ccnc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2O)n1 ZINC000240936828 537645895 /nfs/dbraw/zinc/64/58/95/537645895.db2.gz SELDNFAEWGHWTB-HZPDHXFCSA-N 1 1 373.482 1.024 50 0 FDAAMO Cc1ncsc1CCC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244574733 537648209 /nfs/dbraw/zinc/64/82/09/537648209.db2.gz CQJATZMMUOFRBT-HZPDHXFCSA-N 1 1 360.483 1.531 50 0 FDAAMO Cc1ncsc1CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244574733 537648215 /nfs/dbraw/zinc/64/82/15/537648215.db2.gz CQJATZMMUOFRBT-HZPDHXFCSA-N 1 1 360.483 1.531 50 0 FDAAMO Cc1noc(C)c1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000244685595 537650010 /nfs/dbraw/zinc/65/00/10/537650010.db2.gz ISYDRTVYDROCGF-BSLVTKGXSA-N 1 1 366.465 1.589 50 0 FDAAMO CN(Cc1cccc(-n2cccn2)c1)C(=O)CC[N@@H+](C)[C@H]1CCN(C)C1 ZINC000426643056 538425773 /nfs/dbraw/zinc/42/57/73/538425773.db2.gz VEIBEZPGBXBROE-IBGZPJMESA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1cccc(-n2cccn2)c1)C(=O)CCN(C)[C@H]1CC[N@H+](C)C1 ZINC000426643056 538425778 /nfs/dbraw/zinc/42/57/78/538425778.db2.gz VEIBEZPGBXBROE-IBGZPJMESA-N 1 1 355.486 1.857 50 0 FDAAMO CN(Cc1cccc(-n2cccn2)c1)C(=O)CCN(C)[C@H]1CC[N@@H+](C)C1 ZINC000426643056 538425781 /nfs/dbraw/zinc/42/57/81/538425781.db2.gz VEIBEZPGBXBROE-IBGZPJMESA-N 1 1 355.486 1.857 50 0 FDAAMO O=C(NCc1ccc2[nH]cnc2c1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000584899779 551567053 /nfs/dbraw/zinc/56/70/53/551567053.db2.gz UDQKDXNNFTWSTL-MRXNPFEDSA-N 1 1 357.458 1.694 50 0 FDAAMO O=C(NCc1ccc2nc[nH]c2c1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000584899779 551567055 /nfs/dbraw/zinc/56/70/55/551567055.db2.gz UDQKDXNNFTWSTL-MRXNPFEDSA-N 1 1 357.458 1.694 50 0 FDAAMO O=C(NCc1ccc2nc[nH]c2c1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000584899779 551567056 /nfs/dbraw/zinc/56/70/56/551567056.db2.gz UDQKDXNNFTWSTL-MRXNPFEDSA-N 1 1 357.458 1.694 50 0 FDAAMO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)C1 ZINC000584900970 551567304 /nfs/dbraw/zinc/56/73/04/551567304.db2.gz FOWXPEKOUYZBFD-LJQANCHMSA-N 1 1 372.513 1.861 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@H](c2ccccc2)C1 ZINC000048276337 570941758 /nfs/dbraw/zinc/94/17/58/570941758.db2.gz ITXJGLBSXMLBMY-KRWDZBQOSA-N 1 1 356.426 1.594 50 0 FDAAMO C[N@H+]1CCN(C(=O)CNC(=O)NCc2ccco2)[C@H](c2ccccc2)C1 ZINC000048276337 570941760 /nfs/dbraw/zinc/94/17/60/570941760.db2.gz ITXJGLBSXMLBMY-KRWDZBQOSA-N 1 1 356.426 1.594 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)NCc1noc(-c2ccc3c(c2)OCO3)n1 ZINC000244894066 571119510 /nfs/dbraw/zinc/11/95/10/571119510.db2.gz YZJBBWZWIPKYGN-UHFFFAOYSA-N 1 1 355.354 1.541 50 0 FDAAMO OC1CN(c2nc(NCCc3cccc(Cl)c3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000426498447 571132652 /nfs/dbraw/zinc/13/26/52/571132652.db2.gz HDJNNQBSWYUQSJ-CQSZACIVSA-N 1 1 374.872 2.469 50 0 FDAAMO Cc1ncsc1CCN(C)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426370197 571134893 /nfs/dbraw/zinc/13/48/93/571134893.db2.gz BLBGOCSMJJTVFX-ZDUSSCGKSA-N 1 1 363.487 1.829 50 0 FDAAMO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](CCc4cn[nH]c4)C3)CCC2=O)cn1 ZINC000077353566 571140047 /nfs/dbraw/zinc/14/00/47/571140047.db2.gz AZEMCTNDLHVZHN-FQEVSTJZSA-N 1 1 368.485 1.955 50 0 FDAAMO Cc1ccsc1CN(CCO)C(=O)NCCC[N@H+]1CCC[C@H](O)C1 ZINC000426414674 571222337 /nfs/dbraw/zinc/22/23/37/571222337.db2.gz QWPPQYQIUXPYQZ-HNNXBMFYSA-N 1 1 355.504 1.407 50 0 FDAAMO CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(Cc3cc(=O)n4[nH]cnc4n3)C2)C1 ZINC000426423397 571223663 /nfs/dbraw/zinc/22/36/63/571223663.db2.gz LIMFNKMUBILLLV-IBGZPJMESA-N 1 1 358.490 1.752 50 0 FDAAMO O=C(C[N@H+]1CCC[C@H](c2ccn(CCO)n2)C1)N1CCOc2ccccc21 ZINC000426500401 571228690 /nfs/dbraw/zinc/22/86/90/571228690.db2.gz ZHNBJYFDXJKOSZ-INIZCTEOSA-N 1 1 370.453 1.480 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1)N1CCOc2ccccc21 ZINC000426500401 571228691 /nfs/dbraw/zinc/22/86/91/571228691.db2.gz ZHNBJYFDXJKOSZ-INIZCTEOSA-N 1 1 370.453 1.480 50 0 FDAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(c2ncc[nH]c2=O)CC1 ZINC000426534384 571230800 /nfs/dbraw/zinc/23/08/00/571230800.db2.gz FPDHWEXMXKUBIN-DLBZAZTESA-N 1 1 373.501 1.463 50 0 FDAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000426574877 571232069 /nfs/dbraw/zinc/23/20/69/571232069.db2.gz XWRTXLBWJMHIOG-CQSZACIVSA-N 1 1 363.437 1.690 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000426574877 571232070 /nfs/dbraw/zinc/23/20/70/571232070.db2.gz XWRTXLBWJMHIOG-CQSZACIVSA-N 1 1 363.437 1.690 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCC[N@H+]1CCCC[C@@H]1CO ZINC000426574877 571232071 /nfs/dbraw/zinc/23/20/71/571232071.db2.gz XWRTXLBWJMHIOG-CQSZACIVSA-N 1 1 363.437 1.690 50 0 FDAAMO Cc1cc(C)n(CCN(C)C(=O)NCCC[N@H+]2CCC[C@@H](CO)C2)n1 ZINC000426628663 571233746 /nfs/dbraw/zinc/23/37/46/571233746.db2.gz APTDHWHSCFVTIP-QGZVFWFLSA-N 1 1 351.495 1.236 50 0 FDAAMO O=C(NCC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCCNC(=O)C1 ZINC000426723833 571236704 /nfs/dbraw/zinc/23/67/04/571236704.db2.gz GSWOEUSEPZIOKG-SFHVURJKSA-N 1 1 358.486 1.963 50 0 FDAAMO CC(C)OCCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000012458140 670613307 /nfs/dbraw/zinc/61/33/07/670613307.db2.gz AWRNWLWWKFSVJM-QGZVFWFLSA-N 1 1 353.507 1.689 50 0 FDAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccccc3Cl)C[C@H]2O)CC1 ZINC000022851923 670698306 /nfs/dbraw/zinc/69/83/06/670698306.db2.gz JUVMSBIRWRBGGX-IKSUFZCESA-N 1 1 363.889 1.562 50 0 FDAAMO COCCn1c2ccc(C)cc2cc(C[NH2+]CCc2n[nH]c(C)n2)c1=O ZINC000023250413 784861271 /nfs/dbraw/zinc/86/12/71/784861271.db2.gz GQNPIWJCBSBZPS-UHFFFAOYSA-N 1 1 355.442 1.715 50 0 FDAAMO COCCn1c2ccc(C)cc2cc(C[NH2+]CCc2nnc(C)[nH]2)c1=O ZINC000023250413 784861282 /nfs/dbraw/zinc/86/12/82/784861282.db2.gz GQNPIWJCBSBZPS-UHFFFAOYSA-N 1 1 355.442 1.715 50 0 FDAAMO Cc1cnn(CC(=O)N2CCC3(C[C@H](C(=O)N4CCCC4)[N@@H+](C)C3)CC2)c1 ZINC000675011611 795212181 /nfs/dbraw/zinc/21/21/81/795212181.db2.gz VPRUWQWZPLVXGW-QGZVFWFLSA-N 1 1 373.501 1.127 50 0 FDAAMO C[N@H+](CCC(=O)NCCc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000242822446 809736023 /nfs/dbraw/zinc/73/60/23/809736023.db2.gz FLQJZKPDFLUIDP-HNNXBMFYSA-N 1 1 358.891 1.508 50 0 FDAAMO C[N@@H+](CCC(=O)NCCc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000242822446 809736029 /nfs/dbraw/zinc/73/60/29/809736029.db2.gz FLQJZKPDFLUIDP-HNNXBMFYSA-N 1 1 358.891 1.508 50 0 FDAAMO CCNc1ccnc(-c2ccc(C(=O)N3CC[NH+](CCCO)CC3)cc2)n1 ZINC000426669185 811521000 /nfs/dbraw/zinc/52/10/00/811521000.db2.gz ZASRVJAUTHTLAI-UHFFFAOYSA-N 1 1 369.469 1.138 50 0 FDAAMO COCCn1c(C)c[nH+]c1CCNC(=O)Cn1nc(C(F)(F)F)cc1C ZINC000169788107 864519487 /nfs/dbraw/zinc/51/94/87/864519487.db2.gz KEEXEROEBAUSSI-UHFFFAOYSA-N 1 1 373.379 1.721 50 0 FDAAMO O=C(CN1CCC[N@H+](C2CC2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000172345846 865575320 /nfs/dbraw/zinc/57/53/20/865575320.db2.gz VPPUUMPUCSGXIB-LJQANCHMSA-N 1 1 361.461 1.896 50 0 FDAAMO COc1ccc2c(CC(=O)N3CC[NH2+]C[C@@H]3c3cnn(C)c3)coc2c1 ZINC000181405659 890598872 /nfs/dbraw/zinc/59/88/72/890598872.db2.gz DQKAVSQGZFNGNO-QGZVFWFLSA-N 1 1 354.410 1.891 50 0 FDAAMO CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)n1C ZINC000376685340 901544661 /nfs/dbraw/zinc/54/46/61/901544661.db2.gz GBGICRWYCNCQRR-AEFFLSMTSA-N 1 1 371.485 1.794 50 0 FDAAMO CCS(=O)(=O)N1CCN(C(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000823413071 921833717 /nfs/dbraw/zinc/83/37/17/921833717.db2.gz UHZIZSHOCOLIDC-INIZCTEOSA-N 1 1 353.488 1.092 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 ZINC000824412434 922986498 /nfs/dbraw/zinc/98/64/98/922986498.db2.gz RDTPWEOMWHCXOW-CYBMUJFWSA-N 1 1 369.512 1.851 50 0 FDAAMO NC(=O)Cc1nc([C@H]2CCC[N@@H+](Cc3ccco3)C2)n(CC(F)(F)F)n1 ZINC000826841930 924329686 /nfs/dbraw/zinc/32/96/86/924329686.db2.gz FAVXEHLHWZQGRH-NSHDSACASA-N 1 1 371.363 1.841 50 0 FDAAMO Cc1nc(C[NH+]2CCC(CNC(=O)CCn3c(C)cccc3=O)CC2)c[nH]1 ZINC000827823037 924758463 /nfs/dbraw/zinc/75/84/63/924758463.db2.gz JUKFKFKJDIOTFW-UHFFFAOYSA-N 1 1 371.485 1.607 50 0 FDAAMO O=C(NCc1cnc2cnccn12)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000827939357 924791858 /nfs/dbraw/zinc/79/18/58/924791858.db2.gz WNVOGKHTDNUTLJ-UHFFFAOYSA-N 1 1 365.441 1.542 50 0 FDAAMO O=C(NCc1cnc2cnccn12)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000827939357 924791860 /nfs/dbraw/zinc/79/18/60/924791860.db2.gz WNVOGKHTDNUTLJ-UHFFFAOYSA-N 1 1 365.441 1.542 50 0 FDAAMO O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000828034757 924816892 /nfs/dbraw/zinc/81/68/92/924816892.db2.gz TUCSYRJGXNANMG-TZMCWYRMSA-N 1 1 351.838 1.171 50 0 FDAAMO Cn1cc(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000828196326 924845121 /nfs/dbraw/zinc/84/51/21/924845121.db2.gz QQOIDPJVINPZBT-OAHLLOKOSA-N 1 1 356.426 1.095 50 0 FDAAMO CCN(CC)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@@H+](C)C2)CC1 ZINC000581802367 927586852 /nfs/dbraw/zinc/58/68/52/927586852.db2.gz GVXUZVDQHWEBGN-INIZCTEOSA-N 1 1 366.506 1.093 50 0 FDAAMO O=C(CCCc1ccccc1)N1CCC2(C[C@H]3C(=O)NCC[N@@H+]3C2)CC1 ZINC000581811520 927597244 /nfs/dbraw/zinc/59/72/44/927597244.db2.gz KSMOYRZSFLPGEL-SFHVURJKSA-N 1 1 355.482 1.822 50 0 FDAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000585081903 943783962 /nfs/dbraw/zinc/78/39/62/943783962.db2.gz XEHYLLPJIVEKOJ-INIZCTEOSA-N 1 1 370.453 1.687 50 0 FDAAMO C[N@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ccncc2)CC3)C1 ZINC000219562574 943908108 /nfs/dbraw/zinc/90/81/08/943908108.db2.gz ULGWZAHEFISKDN-KRWDZBQOSA-N 1 1 356.470 1.631 50 0 FDAAMO Cc1ccc([C@@H](NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)c2ccncc2)cc1 ZINC000952869643 960213561 /nfs/dbraw/zinc/21/35/61/960213561.db2.gz XOFRQTUFXBEQFE-AZUAARDMSA-N 1 1 366.465 1.793 50 0 FDAAMO Cc1cc(NC(=O)[C@H]2CCC[N@@H+](CC(N)=O)C2)ccc1N1CCCC1=O ZINC000952969894 960262750 /nfs/dbraw/zinc/26/27/50/960262750.db2.gz HETXSOITRIXTDR-AWEZNQCLSA-N 1 1 358.442 1.258 50 0 FDAAMO COc1cc(C(=O)N2CCC[C@@H](CNC(=O)Cn3cc[nH+]c3C)C2)ccn1 ZINC000952980367 960279472 /nfs/dbraw/zinc/27/94/72/960279472.db2.gz ZJGGFIGEACYBCE-HNNXBMFYSA-N 1 1 371.441 1.264 50 0 FDAAMO CCNC(=O)c1ccc(NC(=O)CN2CCC[N@@H+](C)CC2)cc1Cl ZINC000952982456 960296393 /nfs/dbraw/zinc/29/63/93/960296393.db2.gz PNGKXNJAFVDUNY-UHFFFAOYSA-N 1 1 352.866 1.666 50 0 FDAAMO Cc1ccc2[nH]c([C@@H](NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)nc2c1 ZINC000952986202 960307656 /nfs/dbraw/zinc/30/76/56/960307656.db2.gz YUMHHZZLCXSDSX-KDOFPFPSSA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@@H](NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986202 960307664 /nfs/dbraw/zinc/30/76/64/960307664.db2.gz YUMHHZZLCXSDSX-KDOFPFPSSA-N 1 1 371.485 1.882 50 0 FDAAMO Cc1ccc2nc([C@@H](NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)C(C)C)[nH]c2c1 ZINC000952986202 960307672 /nfs/dbraw/zinc/30/76/72/960307672.db2.gz YUMHHZZLCXSDSX-KDOFPFPSSA-N 1 1 371.485 1.882 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@@H]1CCO ZINC000952989144 960313780 /nfs/dbraw/zinc/31/37/80/960313780.db2.gz SWDAHLPCPYOWRG-HNNXBMFYSA-N 1 1 357.458 1.637 50 0 FDAAMO CC(C)C[N@@H+]1CCN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@@H]1CCO ZINC000952989144 960313787 /nfs/dbraw/zinc/31/37/87/960313787.db2.gz SWDAHLPCPYOWRG-HNNXBMFYSA-N 1 1 357.458 1.637 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-c2nnc[nH]2)C[C@@H]1CCO ZINC000952989144 960313795 /nfs/dbraw/zinc/31/37/95/960313795.db2.gz SWDAHLPCPYOWRG-HNNXBMFYSA-N 1 1 357.458 1.637 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NCC1CCN(C(=O)c2ncoc2C(C)C)CC1 ZINC000952989649 960314804 /nfs/dbraw/zinc/31/48/04/960314804.db2.gz TZCHPRRHWQETSN-UHFFFAOYSA-N 1 1 373.457 1.972 50 0 FDAAMO CCc1[nH+]ccn1CCC(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O ZINC000299796357 529759858 /nfs/dbraw/zinc/75/98/58/529759858.db2.gz RGVLVLUBNDSVDV-AWEZNQCLSA-N 1 1 356.492 1.156 50 0 FDAAMO CN1C[C@]2(CCC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)OC1=O ZINC000215406301 222646819 /nfs/dbraw/zinc/64/68/19/222646819.db2.gz AOQODAZPWKBZBB-INIZCTEOSA-N 1 1 352.460 1.396 50 0 FDAAMO CN1C[C@]2(CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)OC1=O ZINC000215406301 222646823 /nfs/dbraw/zinc/64/68/23/222646823.db2.gz AOQODAZPWKBZBB-INIZCTEOSA-N 1 1 352.460 1.396 50 0 FDAAMO CN(Cc1cc(C2CC2)on1)c1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000299780713 529977304 /nfs/dbraw/zinc/97/73/04/529977304.db2.gz BGYNMOTWYJVQEB-CYBMUJFWSA-N 1 1 359.430 1.887 50 0 FDAAMO CNS(=O)(=O)CCNC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000299785949 530017303 /nfs/dbraw/zinc/01/73/03/530017303.db2.gz SHDMFJZVQXDBJX-AWEZNQCLSA-N 1 1 368.503 1.732 50 0 FDAAMO Cn1cc(CNC(=O)c2cccc(-c3cc(NC4CC4)nc(N)[nH+]3)c2)cn1 ZINC000534586332 540386064 /nfs/dbraw/zinc/38/60/64/540386064.db2.gz CVLXSPHJPNHWCE-UHFFFAOYSA-N 1 1 363.425 1.386 50 0 FDAAMO COc1cccc(-c2cc(CNC(=O)CN3CCC[N@@H+](C)CC3)no2)c1 ZINC000299763249 223085315 /nfs/dbraw/zinc/08/53/15/223085315.db2.gz YHGINNNPQWLFOO-UHFFFAOYSA-N 1 1 358.442 1.604 50 0 FDAAMO COCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)o1 ZINC000299802534 223105592 /nfs/dbraw/zinc/10/55/92/223105592.db2.gz YUTKEFXOTFHILD-HZPDHXFCSA-N 1 1 363.414 1.396 50 0 FDAAMO COCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)o1 ZINC000299802534 223105595 /nfs/dbraw/zinc/10/55/95/223105595.db2.gz YUTKEFXOTFHILD-HZPDHXFCSA-N 1 1 363.414 1.396 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2nccnc2C(=O)N2CCCCC2)C1 ZINC000299792595 223099390 /nfs/dbraw/zinc/09/93/90/223099390.db2.gz HEMYBOXNYLHQQM-OAHLLOKOSA-N 1 1 371.485 1.802 50 0 FDAAMO Cc1cc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)c(F)c3)C2=O)no1 ZINC000012571257 220007899 /nfs/dbraw/zinc/00/78/99/220007899.db2.gz FLGLDMIZZVNTSB-SFHVURJKSA-N 1 1 365.380 1.905 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cnccn2)CC1 ZINC000012596721 220011899 /nfs/dbraw/zinc/01/18/99/220011899.db2.gz KOKKJIWQUNZWJN-QGZVFWFLSA-N 1 1 373.501 1.710 50 0 FDAAMO O=C(CCn1cnnn1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012597149 220012782 /nfs/dbraw/zinc/01/27/82/220012782.db2.gz NEQHFCYCUZUYHD-HXUWFJFHSA-N 1 1 368.485 1.620 50 0 FDAAMO COc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCN3CCCC3=O)C2)c1 ZINC000012702442 220017894 /nfs/dbraw/zinc/01/78/94/220017894.db2.gz BWXSLJPQSZYZMS-QGZVFWFLSA-N 1 1 359.470 1.788 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC000013096736 220057881 /nfs/dbraw/zinc/05/78/81/220057881.db2.gz XTTFRKGQBYFJPI-UHFFFAOYSA-N 1 1 362.821 1.057 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000014121714 220107084 /nfs/dbraw/zinc/10/70/84/220107084.db2.gz IOWNBMYWSNTUEY-HNNXBMFYSA-N 1 1 372.469 1.329 50 0 FDAAMO CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014540779 220126386 /nfs/dbraw/zinc/12/63/86/220126386.db2.gz QHOFVJXQVJTSSZ-KYNGSXCRSA-N 1 1 366.465 1.792 50 0 FDAAMO CC[C@H](C)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014540779 220126387 /nfs/dbraw/zinc/12/63/87/220126387.db2.gz QHOFVJXQVJTSSZ-KYNGSXCRSA-N 1 1 366.465 1.792 50 0 FDAAMO C[NH+]1CCN(C(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000015727982 220162162 /nfs/dbraw/zinc/16/21/62/220162162.db2.gz IFNQDFZRLWQWTQ-UHFFFAOYSA-N 1 1 360.487 1.319 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015996172 220174681 /nfs/dbraw/zinc/17/46/81/220174681.db2.gz PVFANNGMTOWGTE-MLHJIOFPSA-N 1 1 365.433 1.815 50 0 FDAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015996172 220174684 /nfs/dbraw/zinc/17/46/84/220174684.db2.gz PVFANNGMTOWGTE-MLHJIOFPSA-N 1 1 365.433 1.815 50 0 FDAAMO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000017317399 220214367 /nfs/dbraw/zinc/21/43/67/220214367.db2.gz MAHIZUNNGMTPBB-UHFFFAOYSA-N 1 1 350.440 1.899 50 0 FDAAMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCC4(CC3)OCCO4)C2=O)cc1 ZINC000017946070 220220768 /nfs/dbraw/zinc/22/07/68/220220768.db2.gz CFCIXBJKLYRZRU-INIZCTEOSA-N 1 1 373.409 1.116 50 0 FDAAMO COc1ccc(NC2=[NH+][C@@]3(NC(=N)N2)c2ccccc2N(C)C3=O)cc1 ZINC000019325370 220250140 /nfs/dbraw/zinc/25/01/40/220250140.db2.gz XBJPVDGPMRUQQP-SFHVURJKSA-N 1 1 350.382 1.210 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCCc3cn4ccccc4n3)C2)CC1 ZINC000019338145 220251570 /nfs/dbraw/zinc/25/15/70/220251570.db2.gz XMABHQJRAIWUTN-KRWDZBQOSA-N 1 1 369.513 1.799 50 0 FDAAMO CCN1CC[NH+](C[C@@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 ZINC000019367240 220253547 /nfs/dbraw/zinc/25/35/47/220253547.db2.gz CKQAFJIAMXHDJD-OAHLLOKOSA-N 1 1 372.465 1.659 50 0 FDAAMO COC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000020079778 220313351 /nfs/dbraw/zinc/31/33/51/220313351.db2.gz COHGZPPGUHDPEA-UHFFFAOYSA-N 1 1 369.425 1.676 50 0 aggregator FDAAMO CN1CCC([N@@H+]2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)CC1 ZINC000020779582 220342091 /nfs/dbraw/zinc/34/20/91/220342091.db2.gz FRSLWPVBPRWNKC-SFHVURJKSA-N 1 1 361.486 1.378 50 0 FDAAMO CN1CCC([N@H+]2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)CC1 ZINC000020779582 220342095 /nfs/dbraw/zinc/34/20/95/220342095.db2.gz FRSLWPVBPRWNKC-SFHVURJKSA-N 1 1 361.486 1.378 50 0 FDAAMO O=C1C[C@@H](N2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1Cc1ccccc1 ZINC000022030159 220374458 /nfs/dbraw/zinc/37/44/58/220374458.db2.gz YFFUAAZLPPQPTP-QZTJIDSGSA-N 1 1 357.454 1.111 50 0 FDAAMO COc1nc(NCCC[NH+]2CCOCC2)nc(N2CCCCCC2)n1 ZINC000022205665 220378033 /nfs/dbraw/zinc/37/80/33/220378033.db2.gz PDKYCRNLZDRGGX-UHFFFAOYSA-N 1 1 350.467 1.395 50 0 FDAAMO COc1ccc(CN2CC[NH+](CCOCCO)CC2)cc1Br ZINC000022582013 220391703 /nfs/dbraw/zinc/39/17/03/220391703.db2.gz BRNTZRQJGQVWRU-UHFFFAOYSA-N 1 1 373.291 1.584 50 0 FDAAMO COCC[N@H+]1CCCN(C(=O)[C@@H](C)OCc2cccc(OC)c2)CC1 ZINC000048299880 221005333 /nfs/dbraw/zinc/00/53/33/221005333.db2.gz KPACFUNPXCOFRB-MRXNPFEDSA-N 1 1 350.459 1.781 50 0 FDAAMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048310065 221006189 /nfs/dbraw/zinc/00/61/89/221006189.db2.gz JYIIJTZSINTXRW-CYBMUJFWSA-N 1 1 370.500 1.050 50 0 FDAAMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048310065 221006191 /nfs/dbraw/zinc/00/61/91/221006191.db2.gz JYIIJTZSINTXRW-CYBMUJFWSA-N 1 1 370.500 1.050 50 0 FDAAMO O=C(c1ccc(CN2CCCC2=O)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000049605851 221025625 /nfs/dbraw/zinc/02/56/25/221025625.db2.gz CCWTYDALPMNXFE-IBGZPJMESA-N 1 1 371.481 1.746 50 0 FDAAMO Cn1c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc(=O)n(C)c1=O ZINC000057364766 221087319 /nfs/dbraw/zinc/08/73/19/221087319.db2.gz RMFZTTIXORIGJM-OAHLLOKOSA-N 1 1 357.410 1.192 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(CC(=O)Nc3nccs3)CC2)cc1 ZINC000058180837 221103176 /nfs/dbraw/zinc/10/31/76/221103176.db2.gz KSHQKIHZQAEXDU-UHFFFAOYSA-N 1 1 360.483 1.951 50 0 FDAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)NCCc1ccccc1 ZINC000058195622 221105357 /nfs/dbraw/zinc/10/53/57/221105357.db2.gz UHKMWQOUSTZDSW-FQEVSTJZSA-N 1 1 365.477 1.908 50 0 FDAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)NCCc1ccccc1 ZINC000058195622 221105359 /nfs/dbraw/zinc/10/53/59/221105359.db2.gz UHKMWQOUSTZDSW-FQEVSTJZSA-N 1 1 365.477 1.908 50 0 FDAAMO Cc1ccnc2nc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)nn21 ZINC000057475839 221089804 /nfs/dbraw/zinc/08/98/04/221089804.db2.gz DZBPFKAYOGBTJB-AWEZNQCLSA-N 1 1 354.414 1.983 50 0 FDAAMO CCOC(=O)C1=C(C[NH+]2CCCC2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000057731073 221093203 /nfs/dbraw/zinc/09/32/03/221093203.db2.gz KOVCPRFBEPXUKE-QGZVFWFLSA-N 1 1 359.426 1.962 50 0 FDAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCCN(c3nccs3)CC2)C1=O ZINC000058282252 221112746 /nfs/dbraw/zinc/11/27/46/221112746.db2.gz KYNSSMPXRJJBIG-UHFFFAOYSA-N 1 1 351.476 1.376 50 0 FDAAMO Cn1c2ccc(CNC[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)cc2n(C)c1=O ZINC000063846907 221143004 /nfs/dbraw/zinc/14/30/04/221143004.db2.gz SNXJXTZKFZOMEU-UYAOXDASSA-N 1 1 358.486 1.346 50 0 FDAAMO Cc1ccc2cc(CCC(=O)NCCC[NH+]3CCN(C)CC3)c(=O)[nH]c2c1 ZINC000065245588 221185801 /nfs/dbraw/zinc/18/58/01/221185801.db2.gz FDZJNOGDMALABL-UHFFFAOYSA-N 1 1 370.497 1.935 50 0 FDAAMO CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]c(C)n1 ZINC000065363337 221202708 /nfs/dbraw/zinc/20/27/08/221202708.db2.gz RENWEZGHQXKBKI-UHFFFAOYSA-N 1 1 361.471 1.728 50 0 FDAAMO C[N@H+]1CCN2CCN(Cc3cnc(NCc4ccccc4)nc3)C[C@@H]2C1 ZINC000065410872 221215464 /nfs/dbraw/zinc/21/54/64/221215464.db2.gz CBBHBUFCOHCMIL-IBGZPJMESA-N 1 1 352.486 1.520 50 0 FDAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000065458901 221221954 /nfs/dbraw/zinc/22/19/54/221221954.db2.gz KBCNXACEQQYKKJ-LJQANCHMSA-N 1 1 362.437 1.791 50 0 FDAAMO Cc1ccc(C2(O)CCN(c3nc(N4CC[C@H](O)C4)cc[nH+]3)CC2)nc1 ZINC000067490943 221257452 /nfs/dbraw/zinc/25/74/52/221257452.db2.gz HPXPXJBNLJXGCQ-HNNXBMFYSA-N 1 1 355.442 1.239 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@](O)(C[N@H+]3CCCOCC3)C2=O)c1 ZINC000067713336 221275166 /nfs/dbraw/zinc/27/51/66/221275166.db2.gz KGXISCKAKFOBDE-IBGZPJMESA-N 1 1 366.433 1.410 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000067688482 221270279 /nfs/dbraw/zinc/27/02/79/221270279.db2.gz JQADQEKNEUSCFG-UHFFFAOYSA-N 1 1 356.357 1.724 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000067688482 221270283 /nfs/dbraw/zinc/27/02/83/221270283.db2.gz JQADQEKNEUSCFG-UHFFFAOYSA-N 1 1 356.357 1.724 50 0 FDAAMO O=C(c1cnccn1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067758443 221281602 /nfs/dbraw/zinc/28/16/02/221281602.db2.gz APQVSSFUJPUUSY-SFHVURJKSA-N 1 1 351.454 1.903 50 0 FDAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(S(=O)(=O)c3ccccc3)CC1)C2 ZINC000067757622 221281997 /nfs/dbraw/zinc/28/19/97/221281997.db2.gz PNGPQVHGVKSWMU-GOSISDBHSA-N 1 1 362.495 1.937 50 0 FDAAMO C[N@@H+](CCN1CCCCC1=O)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067834101 221290523 /nfs/dbraw/zinc/29/05/23/221290523.db2.gz YUKNFRBRDKKEBG-UHFFFAOYSA-N 1 1 357.410 1.701 50 0 FDAAMO COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000067852431 221295639 /nfs/dbraw/zinc/29/56/39/221295639.db2.gz NIJLGZFZTNWHIO-GOSISDBHSA-N 1 1 360.502 1.521 50 0 FDAAMO COc1cccc(-c2cc(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC(C)C)n[nH]2)c1 ZINC000067886231 221301081 /nfs/dbraw/zinc/30/10/81/221301081.db2.gz QYYKTDJJKYTDRL-DYVFJYSZSA-N 1 1 371.441 1.152 50 0 FDAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc3c(c1)OCCCO3)C2 ZINC000067909962 221304580 /nfs/dbraw/zinc/30/45/80/221304580.db2.gz PULOFRTWQLLOSH-UONOGXRCSA-N 1 1 352.456 1.705 50 0 FDAAMO OCC1(Cc2ccccc2)CCN(c2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000067965459 221309162 /nfs/dbraw/zinc/30/91/62/221309162.db2.gz MWHMPFNWDXWLFK-SFHVURJKSA-N 1 1 368.481 1.869 50 0 FDAAMO CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N3CCOC[C@H]3C)c2C)C1 ZINC000069653098 221327422 /nfs/dbraw/zinc/32/74/22/221327422.db2.gz PVXWXEXFBBQJPP-CQSZACIVSA-N 1 1 369.469 1.815 50 0 FDAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H](C)[NH2+]1 ZINC000070076843 221331578 /nfs/dbraw/zinc/33/15/78/221331578.db2.gz IIBLPZYDXJDQQT-RKDXNWHRSA-N 1 1 351.241 1.959 50 0 FDAAMO Cc1cccn2c(C[N@@H+]3CCC[C@@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071405719 221346246 /nfs/dbraw/zinc/34/62/46/221346246.db2.gz JHJFCKWPVVMNDR-OAHLLOKOSA-N 1 1 358.442 1.072 50 0 FDAAMO Cc1cccn2c(C[N@H+]3CCC[C@@H](O)C3)c(C(=O)N3CCOCC3)nc12 ZINC000071405719 221346247 /nfs/dbraw/zinc/34/62/47/221346247.db2.gz JHJFCKWPVVMNDR-OAHLLOKOSA-N 1 1 358.442 1.072 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000071738665 221357052 /nfs/dbraw/zinc/35/70/52/221357052.db2.gz BUAJORCRYFVCMT-KRWDZBQOSA-N 1 1 374.485 1.161 50 0 FDAAMO O=C(NCCCCO)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071745437 221358587 /nfs/dbraw/zinc/35/85/87/221358587.db2.gz RSPDGXUPHHJFJU-LJQANCHMSA-N 1 1 374.529 1.647 50 0 FDAAMO Cn1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071707927 221354461 /nfs/dbraw/zinc/35/44/61/221354461.db2.gz OFBDNUAZCWZDOW-INIZCTEOSA-N 1 1 373.501 1.359 50 0 FDAAMO CC(C)(CO)NC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071714617 221354899 /nfs/dbraw/zinc/35/48/99/221354899.db2.gz LAUAWAWXQUJBNO-GOSISDBHSA-N 1 1 374.529 1.645 50 0 FDAAMO CCOC(Cn1cc(C(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1)OCC ZINC000071849897 221383040 /nfs/dbraw/zinc/38/30/40/221383040.db2.gz VYBYQOABIXUBKW-GASCZTMLSA-N 1 1 367.494 1.385 50 0 FDAAMO O=C(NC1CC1)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(F)cn3)CC2)C1 ZINC000071776651 221374841 /nfs/dbraw/zinc/37/48/41/221374841.db2.gz WVAXPZUEOXMHOS-AWEZNQCLSA-N 1 1 374.460 1.816 50 0 FDAAMO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1cnn(C)c1)C1CC1 ZINC000072120708 221407405 /nfs/dbraw/zinc/40/74/05/221407405.db2.gz TWPBGTCNASYAPO-QGZVFWFLSA-N 1 1 361.490 1.148 50 0 FDAAMO CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(Cc1cnn(C)c1)C1CC1 ZINC000072120708 221407410 /nfs/dbraw/zinc/40/74/10/221407410.db2.gz TWPBGTCNASYAPO-QGZVFWFLSA-N 1 1 361.490 1.148 50 0 FDAAMO CCn1c(Cn2cccn2)nnc1C1CCN(c2nc(N)cc[nH+]2)CC1 ZINC000091305551 132200629 /nfs/dbraw/zinc/20/06/29/132200629.db2.gz MMKGOENWJNMSCZ-UHFFFAOYSA-N 1 1 353.434 1.299 50 0 FDAAMO CCCc1nc(N2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc(C)[nH+]1 ZINC000092046258 132205746 /nfs/dbraw/zinc/20/57/46/132205746.db2.gz VGDKRXMXZMQPKR-UHFFFAOYSA-N 1 1 359.474 1.432 50 0 FDAAMO C[NH+]1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 ZINC000095698515 132215975 /nfs/dbraw/zinc/21/59/75/132215975.db2.gz CSSMUQJAIFGVTR-UHFFFAOYSA-N 1 1 367.906 1.929 50 0 FDAAMO Cc1ccc(C[N@@H+]2CCN(c3nc(C)ccc3C(N)=O)C[C@@H]2CCO)o1 ZINC000106961803 132240876 /nfs/dbraw/zinc/24/08/76/132240876.db2.gz LZFQFVYFJGJUDO-HNNXBMFYSA-N 1 1 358.442 1.464 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3nc(C)ccc3C(N)=O)C[C@@H]2CCO)o1 ZINC000106961803 132240877 /nfs/dbraw/zinc/24/08/77/132240877.db2.gz LZFQFVYFJGJUDO-HNNXBMFYSA-N 1 1 358.442 1.464 50 0 FDAAMO COCCN1CC[C@@]2(CN(c3ccc(C(C)=O)cn3)CC[N@H+]2C)CCC1=O ZINC000107398711 132241571 /nfs/dbraw/zinc/24/15/71/132241571.db2.gz XQHKDYAJWQWARD-HXUWFJFHSA-N 1 1 374.485 1.434 50 0 FDAAMO COc1ccc(C(=O)N(C)CCn2cc[nH+]c2C)cc1N1CCOCC1 ZINC000219842041 132274661 /nfs/dbraw/zinc/27/46/61/132274661.db2.gz IHHRSYQXMBAGIQ-UHFFFAOYSA-N 1 1 358.442 1.809 50 0 FDAAMO C[NH+]1CCN(c2cc(OCCNC(=O)NCc3ccccc3)ncn2)CC1 ZINC000035598394 136118307 /nfs/dbraw/zinc/11/83/07/136118307.db2.gz FPUHZXOLZLZVKT-UHFFFAOYSA-N 1 1 370.457 1.107 50 0 FDAAMO Cc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071575544 136139411 /nfs/dbraw/zinc/13/94/11/136139411.db2.gz NASSFFFKAJTYBU-QGZVFWFLSA-N 1 1 373.501 1.325 50 0 FDAAMO Cc1noc2ncnc(N3CC[N@@H+](Cc4ccccc4)[C@H](CCO)C3)c12 ZINC000072432352 136146932 /nfs/dbraw/zinc/14/69/32/136146932.db2.gz RPQLUOPTEKVSIO-MRXNPFEDSA-N 1 1 353.426 1.999 50 0 FDAAMO COc1cccc(C(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)c1 ZINC000072437029 136147280 /nfs/dbraw/zinc/14/72/80/136147280.db2.gz ALEMZRQRKAVBSW-UHFFFAOYSA-N 1 1 355.442 1.822 50 0 FDAAMO Cc1nc(N(C)C)cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000072442458 136147934 /nfs/dbraw/zinc/14/79/34/136147934.db2.gz MFZAHHWKAYNWAS-UHFFFAOYSA-N 1 1 357.433 1.881 50 0 FDAAMO Cc1ccc(OCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000136285748 173359394 /nfs/dbraw/zinc/35/93/94/173359394.db2.gz NHTATSAPFSFLPE-GOSISDBHSA-N 1 1 374.485 1.322 50 0 FDAAMO COCC[N@H+]1CC[C@H](CNc2nc(-c3ccncc3)nc3c2cnn3C)C1 ZINC000072479812 221553392 /nfs/dbraw/zinc/55/33/92/221553392.db2.gz BQVVYKKNXQQEBM-CQSZACIVSA-N 1 1 367.457 1.806 50 0 FDAAMO O=S(=O)(c1ccc(Cl)s1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000096099716 222022974 /nfs/dbraw/zinc/02/29/74/222022974.db2.gz MCVHTQWPHLKLSF-NSHDSACASA-N 1 1 350.893 1.621 50 0 FDAAMO COCC[N@@H+](C)CCC(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 ZINC000096162133 222060887 /nfs/dbraw/zinc/06/08/87/222060887.db2.gz XBGYQMQEYYAOLR-UHFFFAOYSA-N 1 1 372.469 1.938 50 0 FDAAMO COCC[N@H+](C)CCC(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1 ZINC000096162133 222060891 /nfs/dbraw/zinc/06/08/91/222060891.db2.gz XBGYQMQEYYAOLR-UHFFFAOYSA-N 1 1 372.469 1.938 50 0 FDAAMO COCC[N@@H+](C)CCC(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1 ZINC000096162133 222060897 /nfs/dbraw/zinc/06/08/97/222060897.db2.gz XBGYQMQEYYAOLR-UHFFFAOYSA-N 1 1 372.469 1.938 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)COC)C[N@@H+]1Cc1ccc2[nH]ccc2c1 ZINC000096162248 222061226 /nfs/dbraw/zinc/06/12/26/222061226.db2.gz RTGKRTMPAIAVBJ-RDJZCZTQSA-N 1 1 358.442 1.010 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@H](NC(=O)COC)C[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000096162248 222061231 /nfs/dbraw/zinc/06/12/31/222061231.db2.gz RTGKRTMPAIAVBJ-RDJZCZTQSA-N 1 1 358.442 1.010 50 0 FDAAMO CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccsc2)CN1c1cc[nH+]c(N)n1 ZINC000096165443 222065406 /nfs/dbraw/zinc/06/54/06/222065406.db2.gz YFINIFRXROYKCG-OLZOCXBDSA-N 1 1 374.470 1.022 50 0 FDAAMO Cc1nc2ccccc2nc1C[NH+]1CCC2(CC1)NC(N(C)C)=NC2=O ZINC000097172841 222165857 /nfs/dbraw/zinc/16/58/57/222165857.db2.gz BJOLPXSBYXGSMK-UHFFFAOYSA-N 1 1 352.442 1.320 50 0 FDAAMO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000097301477 222173813 /nfs/dbraw/zinc/17/38/13/222173813.db2.gz HNHRRWGUSCHILN-CQSZACIVSA-N 1 1 358.442 1.519 50 0 FDAAMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000097480057 222185240 /nfs/dbraw/zinc/18/52/40/222185240.db2.gz WKWIHVVLWBMGAH-CQSZACIVSA-N 1 1 350.488 1.567 50 0 FDAAMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000097480057 222185241 /nfs/dbraw/zinc/18/52/41/222185241.db2.gz WKWIHVVLWBMGAH-CQSZACIVSA-N 1 1 350.488 1.567 50 0 FDAAMO COc1ccc2[nH]c(CN3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)c(C)c2c1 ZINC000097785518 222213371 /nfs/dbraw/zinc/21/33/71/222213371.db2.gz NVVOPJSYYCAFBB-PMACEKPBSA-N 1 1 359.470 1.752 50 0 FDAAMO COc1ccc2[nH]c(C[N@@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)c(C)c2c1 ZINC000097785518 222213372 /nfs/dbraw/zinc/21/33/72/222213372.db2.gz NVVOPJSYYCAFBB-PMACEKPBSA-N 1 1 359.470 1.752 50 0 FDAAMO COc1ccc2[nH]c(C[N@H+]3CCCN([C@H]4COC[C@@H]4O)CC3)c(C)c2c1 ZINC000097785518 222213373 /nfs/dbraw/zinc/21/33/73/222213373.db2.gz NVVOPJSYYCAFBB-PMACEKPBSA-N 1 1 359.470 1.752 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@H+](Cc1cc(F)ccc1-n1cccn1)CC2 ZINC000097797705 222215249 /nfs/dbraw/zinc/21/52/49/222215249.db2.gz ZKVJOWOINQAATJ-UHFFFAOYSA-N 1 1 354.389 1.652 50 0 FDAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(F)ccc1-n1cccn1)CC2 ZINC000097797705 222215252 /nfs/dbraw/zinc/21/52/52/222215252.db2.gz ZKVJOWOINQAATJ-UHFFFAOYSA-N 1 1 354.389 1.652 50 0 FDAAMO O=c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)nc2[n-]cnn21 ZINC000101938704 222287252 /nfs/dbraw/zinc/28/72/52/222287252.db2.gz MZEBDLJNAZFFHE-LJQANCHMSA-N 1 1 370.457 1.032 50 0 FDAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(N)nc3)C[C@H]2CCO)cc1 ZINC000104643019 222359221 /nfs/dbraw/zinc/35/92/21/222359221.db2.gz UCQRUJGFJGJXTR-GOSISDBHSA-N 1 1 371.485 1.526 50 0 FDAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(N)nc3)C[C@H]2CCO)cc1 ZINC000104643019 222359224 /nfs/dbraw/zinc/35/92/24/222359224.db2.gz UCQRUJGFJGJXTR-GOSISDBHSA-N 1 1 371.485 1.526 50 0 FDAAMO C[N@H+]1CCN(Cc2nccn2Cc2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000107400875 222394396 /nfs/dbraw/zinc/39/43/96/222394396.db2.gz GFHFCBKRIFCFOE-OAQYLSRUSA-N 1 1 367.497 1.718 50 0 FDAAMO Cc1ccc(CNC(=O)CC[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299799771 533982923 /nfs/dbraw/zinc/98/29/23/533982923.db2.gz ZYRGIZFQHSOZDK-ROUUACIJSA-N 1 1 355.442 1.439 50 0 FDAAMO COC(=O)c1ccc(OC)c(NC(=O)NCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000299771658 534233743 /nfs/dbraw/zinc/23/37/43/534233743.db2.gz VNQYJNPIBYACCV-ZDUSSCGKSA-N 1 1 365.430 1.308 50 0 FDAAMO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299798399 534335121 /nfs/dbraw/zinc/33/51/21/534335121.db2.gz RPCZJHZORSWGHR-IAGOWNOFSA-N 1 1 362.430 1.190 50 0 FDAAMO Cc1noc(C)c1CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299798399 534335123 /nfs/dbraw/zinc/33/51/23/534335123.db2.gz RPCZJHZORSWGHR-IAGOWNOFSA-N 1 1 362.430 1.190 50 0 FDAAMO CC1CC[NH+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000003538721 518274312 /nfs/dbraw/zinc/27/43/12/518274312.db2.gz KLUSNCUMNPOYLK-UHFFFAOYSA-N 1 1 370.453 1.092 50 0 FDAAMO Cc1ccc(CN2[NH+]=C(C)[C@H](C)n3c4c(nc32)n(C)c(=O)n(C)c4=O)cc1 ZINC000005148005 518333487 /nfs/dbraw/zinc/33/34/87/518333487.db2.gz QEWCMEXCPKPLJS-ZDUSSCGKSA-N 1 1 366.425 1.699 50 0 FDAAMO Cc1nn(CC(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c2cccn21 ZINC000006799616 518385628 /nfs/dbraw/zinc/38/56/28/518385628.db2.gz WSVNVBYVGIHSQN-GASCZTMLSA-N 1 1 359.474 1.574 50 0 FDAAMO Cc1nn2cnnc2c(C)c1CCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000006917631 518391835 /nfs/dbraw/zinc/39/18/35/518391835.db2.gz JEVMINYEMWLNLV-UHFFFAOYSA-N 1 1 366.469 1.922 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2[C@H]1C ZINC000008706181 518482181 /nfs/dbraw/zinc/48/21/81/518482181.db2.gz TYHJOVWDHNACBF-NSHDSACASA-N 1 1 370.388 1.471 50 0 FDAAMO Cc1ccc(Cn2c(=O)c3c(nc4n3[C@H](C)C(C)=[NH+]N4C)n(C)c2=O)cc1 ZINC000008724533 518484326 /nfs/dbraw/zinc/48/43/26/518484326.db2.gz WNKUZFSNSXKJJA-CYBMUJFWSA-N 1 1 366.425 1.640 50 0 FDAAMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2nnnn2-c2ccccc2)CC1 ZINC000008750756 518486879 /nfs/dbraw/zinc/48/68/79/518486879.db2.gz LUNZOHHUHACLNV-UHFFFAOYSA-N 1 1 357.462 1.089 50 0 FDAAMO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2nnnn2-c2ccccc2)CC1 ZINC000008750756 518486881 /nfs/dbraw/zinc/48/68/81/518486881.db2.gz LUNZOHHUHACLNV-UHFFFAOYSA-N 1 1 357.462 1.089 50 0 FDAAMO COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000008863626 518489828 /nfs/dbraw/zinc/48/98/28/518489828.db2.gz WCUGSBCBTVXBAI-INIZCTEOSA-N 1 1 361.467 1.792 50 0 FDAAMO COCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008981751 518492962 /nfs/dbraw/zinc/49/29/62/518492962.db2.gz IYIPOLJZPULHMG-AWEZNQCLSA-N 1 1 363.414 1.067 50 0 FDAAMO COCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008981751 518492967 /nfs/dbraw/zinc/49/29/67/518492967.db2.gz IYIPOLJZPULHMG-AWEZNQCLSA-N 1 1 363.414 1.067 50 0 FDAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cn3ccccc3n2)[C@H](O)C1 ZINC000299786975 534357909 /nfs/dbraw/zinc/35/79/09/534357909.db2.gz SEKYGZSMNCJQSC-NVXWUHKLSA-N 1 1 369.425 1.304 50 0 FDAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cn3ccccc3n2)[C@H](O)C1 ZINC000299786975 534357920 /nfs/dbraw/zinc/35/79/20/534357920.db2.gz SEKYGZSMNCJQSC-NVXWUHKLSA-N 1 1 369.425 1.304 50 0 FDAAMO Cc1cnc(C[NH2+]C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)cn1 ZINC000012387494 518609306 /nfs/dbraw/zinc/60/93/06/518609306.db2.gz PXQNDEBAPWFCKW-LJQANCHMSA-N 1 1 358.417 1.567 50 0 FDAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000012457875 518614271 /nfs/dbraw/zinc/61/42/71/518614271.db2.gz AOWGLDOIRABCMF-OAHLLOKOSA-N 1 1 371.441 1.294 50 0 FDAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000012457875 518614279 /nfs/dbraw/zinc/61/42/79/518614279.db2.gz AOWGLDOIRABCMF-OAHLLOKOSA-N 1 1 371.441 1.294 50 0 FDAAMO Cc1ccc2nc(C[N@@H+](CCC(N)=O)Cc3ccccc3)cc(=O)n2c1 ZINC000012866775 518638930 /nfs/dbraw/zinc/63/89/30/518638930.db2.gz OTAQSKDBUWNUBV-UHFFFAOYSA-N 1 1 350.422 1.881 50 0 FDAAMO C[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000015821436 518737138 /nfs/dbraw/zinc/73/71/38/518737138.db2.gz VUGKSJDKKWXIMH-UHFFFAOYSA-N 1 1 373.478 1.656 50 0 FDAAMO CCCn1nc(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)ccc1=O ZINC000022898465 518918886 /nfs/dbraw/zinc/91/88/86/518918886.db2.gz WBKMBTMXZWVXKS-QGZVFWFLSA-N 1 1 364.490 1.520 50 0 FDAAMO CC[NH+]1CCN(CN2c3cccc(Br)c3C(=O)C2=O)CC1 ZINC000022916855 518920912 /nfs/dbraw/zinc/92/09/12/518920912.db2.gz MZFHPSAHMUJCQE-UHFFFAOYSA-N 1 1 352.232 1.573 50 0 FDAAMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000022929554 518921919 /nfs/dbraw/zinc/92/19/19/518921919.db2.gz DIUZDHGSEVJQSG-AWEZNQCLSA-N 1 1 362.449 1.439 50 0 FDAAMO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(CC)CC1 ZINC000022937692 518924062 /nfs/dbraw/zinc/92/40/62/518924062.db2.gz BTVBUMMXNXHGKX-LJQANCHMSA-N 1 1 372.513 1.498 50 0 FDAAMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000023374394 518949097 /nfs/dbraw/zinc/94/90/97/518949097.db2.gz BCYQMEQWAORJHE-HXUWFJFHSA-N 1 1 358.530 1.447 50 0 FDAAMO CCN1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023374394 518949107 /nfs/dbraw/zinc/94/91/07/518949107.db2.gz BCYQMEQWAORJHE-HXUWFJFHSA-N 1 1 358.530 1.447 50 0 FDAAMO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000023641550 518959301 /nfs/dbraw/zinc/95/93/01/518959301.db2.gz GNEWSPYSONMUCO-OAHLLOKOSA-N 1 1 363.458 1.745 50 0 FDAAMO Cc1cc(C)c(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000026247696 519111684 /nfs/dbraw/zinc/11/16/84/519111684.db2.gz LSFMIXPHIGGLOM-UHFFFAOYSA-N 1 1 368.481 1.426 50 0 FDAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000029695491 519312550 /nfs/dbraw/zinc/31/25/50/519312550.db2.gz RZSLTTCNNHYSNU-GOSISDBHSA-N 1 1 356.470 1.621 50 0 FDAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000029695491 519312558 /nfs/dbraw/zinc/31/25/58/519312558.db2.gz RZSLTTCNNHYSNU-GOSISDBHSA-N 1 1 356.470 1.621 50 0 FDAAMO O=C(CNC(=O)c1ccc(F)cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000031339215 519431462 /nfs/dbraw/zinc/43/14/62/519431462.db2.gz QQHMVVPCSZZIEM-UHFFFAOYSA-N 1 1 355.413 1.730 50 0 FDAAMO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000032674821 519522992 /nfs/dbraw/zinc/52/29/92/519522992.db2.gz MMZFHNPSWQVZAD-OXQOHEQNSA-N 1 1 370.453 1.098 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000032768933 519535625 /nfs/dbraw/zinc/53/56/25/519535625.db2.gz AHNRLFPRNYSIRG-INIZCTEOSA-N 1 1 373.453 1.319 50 0 FDAAMO NC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000032768933 519535635 /nfs/dbraw/zinc/53/56/35/519535635.db2.gz AHNRLFPRNYSIRG-INIZCTEOSA-N 1 1 373.453 1.319 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000032802702 519539414 /nfs/dbraw/zinc/53/94/14/519539414.db2.gz BXNQRSZLJBSEEZ-CQSZACIVSA-N 1 1 366.462 1.612 50 0 FDAAMO C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032850919 519546575 /nfs/dbraw/zinc/54/65/75/519546575.db2.gz RZWGJNGJTTVKTJ-OJXHRBAXSA-N 1 1 367.501 1.912 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCN(c2ccc(F)cc2F)C1=O ZINC000034696346 519596523 /nfs/dbraw/zinc/59/65/23/519596523.db2.gz FVMZPGDAZUUXAM-AWEZNQCLSA-N 1 1 367.396 1.156 50 0 FDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000040074201 519639263 /nfs/dbraw/zinc/63/92/63/519639263.db2.gz OEXOULUZBDGWDL-IBGZPJMESA-N 1 1 355.482 1.810 50 0 FDAAMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COC[C@H]1CCCO1 ZINC000239762186 521451497 /nfs/dbraw/zinc/45/14/97/521451497.db2.gz CLELAKNAMXXCFE-LSDHHAIUSA-N 1 1 361.442 1.714 50 0 FDAAMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COC[C@H]1CCCO1 ZINC000239762186 521451503 /nfs/dbraw/zinc/45/15/03/521451503.db2.gz CLELAKNAMXXCFE-LSDHHAIUSA-N 1 1 361.442 1.714 50 0 FDAAMO Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000069976195 521988747 /nfs/dbraw/zinc/98/87/47/521988747.db2.gz QCUCALHNGAYKNG-OAHLLOKOSA-N 1 1 355.442 1.472 50 0 FDAAMO CCc1[nH]nc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1C ZINC000091452461 522131171 /nfs/dbraw/zinc/13/11/71/522131171.db2.gz UMJDERVEXRPYRR-OCVGTWLNSA-N 1 1 364.490 1.070 50 0 FDAAMO Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCN2C(=O)c2cc(CC(C)C)no2)cn1 ZINC000072126671 522156197 /nfs/dbraw/zinc/15/61/97/522156197.db2.gz UAICWUCHHGMZDX-INIZCTEOSA-N 1 1 371.441 1.629 50 0 FDAAMO C[N@H+]1CCC[C@H](C(=O)N2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)C1 ZINC000072132987 522161677 /nfs/dbraw/zinc/16/16/77/522161677.db2.gz NJKHMFSOQYCSHO-AWEZNQCLSA-N 1 1 353.426 1.058 50 0 FDAAMO CN(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 ZINC000072144142 522169692 /nfs/dbraw/zinc/16/96/92/522169692.db2.gz YAUWNCJTMBDESS-INIZCTEOSA-N 1 1 359.474 1.622 50 0 FDAAMO CN(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 ZINC000072144142 522169700 /nfs/dbraw/zinc/16/97/00/522169700.db2.gz YAUWNCJTMBDESS-INIZCTEOSA-N 1 1 359.474 1.622 50 0 FDAAMO CCN(CCO)C(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21 ZINC000072144410 522170506 /nfs/dbraw/zinc/17/05/06/522170506.db2.gz MTLFGVHDQBFAEN-IBGZPJMESA-N 1 1 369.465 1.371 50 0 FDAAMO CCN(CCO)C(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21 ZINC000072144410 522170514 /nfs/dbraw/zinc/17/05/14/522170514.db2.gz MTLFGVHDQBFAEN-IBGZPJMESA-N 1 1 369.465 1.371 50 0 FDAAMO Cc1ccc2cc(C[N@H+]3CC[C@H](CO)[C@H](O)C3)c(N3CCOCC3)nc2c1 ZINC000072144736 522171125 /nfs/dbraw/zinc/17/11/25/522171125.db2.gz DPFARGPWVUGGOH-YLJYHZDGSA-N 1 1 371.481 1.555 50 0 FDAAMO Cc1ccc(OCCN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)cc1 ZINC000072151579 522178259 /nfs/dbraw/zinc/17/82/59/522178259.db2.gz YAGXPABTOWGDPK-LJQANCHMSA-N 1 1 373.497 1.965 50 0 FDAAMO O=C(Cc1ccc2ccccc2c1)N1CC[NH2+]C[C@H]1C(=O)N1CCCC1 ZINC000072163158 522190102 /nfs/dbraw/zinc/19/01/02/522190102.db2.gz CMLOQEYJGNKVIW-IBGZPJMESA-N 1 1 351.450 1.805 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCc3nc(N)sc3C2)[nH]1 ZINC000072164634 522192439 /nfs/dbraw/zinc/19/24/39/522192439.db2.gz CLELWSJQRBXUAI-RYUDHWBXSA-N 1 1 374.514 1.549 50 0 FDAAMO CC[C@H]1CN(Cc2cnc3c(S(C)(=O)=O)cnn3c2)CC[N@H+]1C(C)C ZINC000072167111 522195201 /nfs/dbraw/zinc/19/52/01/522195201.db2.gz YESOCKBKZLTMPY-HNNXBMFYSA-N 1 1 365.503 1.437 50 0 FDAAMO Fc1cccc([C@H]2C[N@@H+](CCCn3cnnn3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000072169611 522196060 /nfs/dbraw/zinc/19/60/60/522196060.db2.gz JRPSBJIGGAQSRV-ATZDWAIDSA-N 1 1 374.439 1.904 50 0 FDAAMO CCCn1ccnc1C[N@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072170506 522199078 /nfs/dbraw/zinc/19/90/78/522199078.db2.gz KVCZHXLGUUCJBB-FQEVSTJZSA-N 1 1 367.453 1.269 50 0 FDAAMO CCOC(=O)[C@H](C)C[NH+]1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000072309059 522211623 /nfs/dbraw/zinc/21/16/23/522211623.db2.gz KVLVGKAWTGSZMT-YESZJQIVSA-N 1 1 353.507 1.308 50 0 FDAAMO Cc1occc1C(=O)N1C[C@H](O)[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000072418165 522247060 /nfs/dbraw/zinc/24/70/60/522247060.db2.gz OEIOGCJZCRDGCH-PMACEKPBSA-N 1 1 369.465 1.591 50 0 FDAAMO COCc1cc(N2CCC[N@@H+](Cc3cccnc3)CC2)n2nccc2n1 ZINC000072434211 522272555 /nfs/dbraw/zinc/27/25/55/522272555.db2.gz AIRGSXWVOIIYMW-UHFFFAOYSA-N 1 1 352.442 1.983 50 0 FDAAMO CC(=O)N[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)C1 ZINC000072434381 522272821 /nfs/dbraw/zinc/27/28/21/522272821.db2.gz WYYINAPVRSSTDT-MRXNPFEDSA-N 1 1 356.426 1.569 50 0 FDAAMO Cn1cc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(F)cc3F)[C@H](O)C2)cn1 ZINC000072475109 522295415 /nfs/dbraw/zinc/29/54/15/522295415.db2.gz XTDQVRQVNQCFTN-SUMWQHHRSA-N 1 1 364.396 1.311 50 0 FDAAMO CC[NH+]1CCN(CCCCNC(=O)N[C@H]2CCCc3c2cnn3C)CC1 ZINC000046753538 522347237 /nfs/dbraw/zinc/34/72/37/522347237.db2.gz PQRCZCMFXOLEFV-KRWDZBQOSA-N 1 1 362.522 1.514 50 0 FDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCn2nnc3ccccc3c2=O)C1 ZINC000047415774 522515869 /nfs/dbraw/zinc/51/58/69/522515869.db2.gz MBCVDAWZPSAJPD-IYBDPMFKSA-N 1 1 371.485 1.666 50 0 FDAAMO CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065374305 522809861 /nfs/dbraw/zinc/80/98/61/522809861.db2.gz FNSLKFQDROJHIA-CQSZACIVSA-N 1 1 361.490 1.521 50 0 FDAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076394930 523101792 /nfs/dbraw/zinc/10/17/92/523101792.db2.gz DEXBWJDANNBKJL-AWEZNQCLSA-N 1 1 351.476 1.190 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077323223 523296367 /nfs/dbraw/zinc/29/63/67/523296367.db2.gz GIEFUOJBTIFACE-HNNXBMFYSA-N 1 1 351.878 1.976 50 0 FDAAMO CC(=O)N[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C[C@H]1C(C)C ZINC000077387293 523319206 /nfs/dbraw/zinc/31/92/06/523319206.db2.gz ZIUKVOJWCYGYSS-RBUKOAKNSA-N 1 1 358.486 1.779 50 0 FDAAMO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000077437995 523336752 /nfs/dbraw/zinc/33/67/52/523336752.db2.gz UNZWHBBPNAKSHZ-HNNXBMFYSA-N 1 1 371.503 1.552 50 0 FDAAMO Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c(=O)[nH]1 ZINC000077452071 523342277 /nfs/dbraw/zinc/34/22/77/523342277.db2.gz DMSPNFZRJIQUHX-MRXNPFEDSA-N 1 1 362.474 1.033 50 0 FDAAMO Cc1nc(C)c(CC(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)c(=O)[nH]1 ZINC000077452077 523342432 /nfs/dbraw/zinc/34/24/32/523342432.db2.gz DMSPNFZRJIQUHX-INIZCTEOSA-N 1 1 362.474 1.033 50 0 FDAAMO CCc1cc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cs1 ZINC000091416709 523761125 /nfs/dbraw/zinc/76/11/25/523761125.db2.gz OPJXVEUHWLNKBW-CABCVRRESA-N 1 1 352.500 1.713 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000091320950 523807308 /nfs/dbraw/zinc/80/73/08/523807308.db2.gz OSKDFRXOJQAIQA-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000091320950 523807311 /nfs/dbraw/zinc/80/73/11/523807311.db2.gz OSKDFRXOJQAIQA-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000091320950 523807318 /nfs/dbraw/zinc/80/73/18/523807318.db2.gz OSKDFRXOJQAIQA-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)[C@H]1CCOc3ccccc3C1)CC2 ZINC000244724413 523884871 /nfs/dbraw/zinc/88/48/71/523884871.db2.gz MTLRXPAYKJNQNZ-SFHVURJKSA-N 1 1 357.498 1.866 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)C1 ZINC000244724413 523884874 /nfs/dbraw/zinc/88/48/74/523884874.db2.gz MTLRXPAYKJNQNZ-SFHVURJKSA-N 1 1 357.498 1.866 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CCOc4ccccc4C3)CC2)C1 ZINC000244724413 523884883 /nfs/dbraw/zinc/88/48/83/523884883.db2.gz MTLRXPAYKJNQNZ-SFHVURJKSA-N 1 1 357.498 1.866 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)[nH]n1 ZINC000091321202 524692164 /nfs/dbraw/zinc/69/21/64/524692164.db2.gz IDXRWDKXKYYGKR-OAHLLOKOSA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)n[nH]1 ZINC000091321202 524692171 /nfs/dbraw/zinc/69/21/71/524692171.db2.gz IDXRWDKXKYYGKR-OAHLLOKOSA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)n[nH]1 ZINC000091321202 524692179 /nfs/dbraw/zinc/69/21/79/524692179.db2.gz IDXRWDKXKYYGKR-OAHLLOKOSA-N 1 1 359.474 1.267 50 0 FDAAMO COc1ccc(CNC(=O)N2CC[N@@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000091326792 524693687 /nfs/dbraw/zinc/69/36/87/524693687.db2.gz NZRNHHVDWDHSMB-LJQANCHMSA-N 1 1 360.458 1.191 50 0 FDAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000091410727 524697716 /nfs/dbraw/zinc/69/77/16/524697716.db2.gz NGXGYZAUVCYEHY-QGZVFWFLSA-N 1 1 368.441 1.533 50 0 FDAAMO CCOc1ccccc1CC(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091390982 524697828 /nfs/dbraw/zinc/69/78/28/524697828.db2.gz FWSVAPPCOOGRMY-FQEVSTJZSA-N 1 1 359.470 1.441 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c(O)c1 ZINC000091424811 524700295 /nfs/dbraw/zinc/70/02/95/524700295.db2.gz KIIYDJDOKWYWKO-IAGOWNOFSA-N 1 1 361.486 1.019 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c(O)c1 ZINC000091424811 524700305 /nfs/dbraw/zinc/70/03/05/524700305.db2.gz KIIYDJDOKWYWKO-IAGOWNOFSA-N 1 1 361.486 1.019 50 0 FDAAMO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c(O)c1 ZINC000091424811 524700320 /nfs/dbraw/zinc/70/03/20/524700320.db2.gz KIIYDJDOKWYWKO-IAGOWNOFSA-N 1 1 361.486 1.019 50 0 FDAAMO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cn1 ZINC000091416894 524701606 /nfs/dbraw/zinc/70/16/06/524701606.db2.gz VBNCYASFVCGGFT-GOEBONIOSA-N 1 1 354.458 1.807 50 0 FDAAMO CCc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)cn1 ZINC000091416894 524701614 /nfs/dbraw/zinc/70/16/14/524701614.db2.gz VBNCYASFVCGGFT-GOEBONIOSA-N 1 1 354.458 1.807 50 0 FDAAMO C[N@H+]1CCN(C(=O)NCc2ccc(Cl)cc2)C[C@]12CCNC(=O)CC2 ZINC000091444706 524706679 /nfs/dbraw/zinc/70/66/79/524706679.db2.gz GCFGUGYQJXYVEK-SFHVURJKSA-N 1 1 364.877 1.836 50 0 FDAAMO Cc1ccc2nc(COCC(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)[nH]c2c1 ZINC000091474867 524710300 /nfs/dbraw/zinc/71/03/00/524710300.db2.gz MCTABESKPPSSPF-HUUCEWRRSA-N 1 1 360.458 1.016 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CCOC ZINC000091487040 524718126 /nfs/dbraw/zinc/71/81/26/524718126.db2.gz FHVFBYLPWALNMC-QWHCGFSZSA-N 1 1 354.882 1.705 50 0 FDAAMO CCc1nn(C)c(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CCOC ZINC000091487040 524718138 /nfs/dbraw/zinc/71/81/38/524718138.db2.gz FHVFBYLPWALNMC-QWHCGFSZSA-N 1 1 354.882 1.705 50 0 FDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cccc3c2ccn3C)C[C@@H]1CO ZINC000091519301 524720372 /nfs/dbraw/zinc/72/03/72/524720372.db2.gz MNPNOEVKBFIBPT-HZPDHXFCSA-N 1 1 359.470 1.173 50 0 FDAAMO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3nccnc3c1)C2 ZINC000091626009 524745783 /nfs/dbraw/zinc/74/57/83/524745783.db2.gz CBSGEPBIJSZEFR-GOEBONIOSA-N 1 1 367.453 1.254 50 0 FDAAMO CN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc3nccnc3c1)C2 ZINC000091626009 524745791 /nfs/dbraw/zinc/74/57/91/524745791.db2.gz CBSGEPBIJSZEFR-GOEBONIOSA-N 1 1 367.453 1.254 50 0 FDAAMO COc1cc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)ccc1F ZINC000091769567 524778949 /nfs/dbraw/zinc/77/89/49/524778949.db2.gz YKHLJVJHYJVMGY-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO COc1cc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)ccc1F ZINC000091769567 524778957 /nfs/dbraw/zinc/77/89/57/524778957.db2.gz YKHLJVJHYJVMGY-QZTJIDSGSA-N 1 1 365.493 1.512 50 0 FDAAMO CCN1CC[C@@]2(CN(C(=O)NCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091915269 524812552 /nfs/dbraw/zinc/81/25/52/524812552.db2.gz VXQSYRGBBCMFOI-HXUWFJFHSA-N 1 1 358.486 1.915 50 0 FDAAMO COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cc1F ZINC000091934342 524815005 /nfs/dbraw/zinc/81/50/05/524815005.db2.gz SVXNMCZOQOPPFB-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1F ZINC000091934342 524815012 /nfs/dbraw/zinc/81/50/12/524815012.db2.gz SVXNMCZOQOPPFB-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1F ZINC000091934342 524815025 /nfs/dbraw/zinc/81/50/25/524815025.db2.gz SVXNMCZOQOPPFB-CYGHRXIMSA-N 1 1 366.477 1.984 50 0 FDAAMO COc1coc(C(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)cc1=O ZINC000091966172 524821087 /nfs/dbraw/zinc/82/10/87/524821087.db2.gz ISBZZJSVVPMVSG-UHFFFAOYSA-N 1 1 360.414 1.247 50 0 FDAAMO CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2[nH]cnc2C)C3)cs1 ZINC000091997104 524826331 /nfs/dbraw/zinc/82/63/31/524826331.db2.gz QMFZIMYZFSATBL-QWHCGFSZSA-N 1 1 360.487 1.953 50 0 FDAAMO CNc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2[nH]cnc2C)C3)cs1 ZINC000091997104 524826336 /nfs/dbraw/zinc/82/63/36/524826336.db2.gz QMFZIMYZFSATBL-QWHCGFSZSA-N 1 1 360.487 1.953 50 0 FDAAMO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)N1CC[NH+](C)CC1 ZINC000093173503 524960310 /nfs/dbraw/zinc/96/03/10/524960310.db2.gz UGZYKCSSYXDBIM-PBHICJAKSA-N 1 1 351.878 1.876 50 0 FDAAMO Cc1cc(F)ccc1CC(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091645101 524967757 /nfs/dbraw/zinc/96/77/57/524967757.db2.gz ZNAYBFBMTRTEGH-QZTJIDSGSA-N 1 1 365.493 1.237 50 0 FDAAMO Cc1cc(F)ccc1CC(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091645101 524967767 /nfs/dbraw/zinc/96/77/67/524967767.db2.gz ZNAYBFBMTRTEGH-QZTJIDSGSA-N 1 1 365.493 1.237 50 0 FDAAMO CN1CC[C@]2(CN(C(=O)CCc3ccc(O)cc3)CC[N@H+]2C)CCC1=O ZINC000095362176 525036605 /nfs/dbraw/zinc/03/66/05/525036605.db2.gz CYDJBRXEMGJSRS-FQEVSTJZSA-N 1 1 359.470 1.480 50 0 FDAAMO O=C(Cn1cccnc1=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095364706 525038236 /nfs/dbraw/zinc/03/82/36/525038236.db2.gz XKNUDYOOTFTGCR-QZTJIDSGSA-N 1 1 352.438 1.366 50 0 FDAAMO COCC(=O)N1CC[C@]2(O)CC[N@@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC000095371230 525043199 /nfs/dbraw/zinc/04/31/99/525043199.db2.gz LHUGFHRWFYJUHU-CRAIPNDOSA-N 1 1 352.862 1.772 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)COc1ccc(F)cc1F)C2 ZINC000095374326 525046428 /nfs/dbraw/zinc/04/64/28/525046428.db2.gz KUSVUDZHFXCFIM-UKRRQHHQSA-N 1 1 354.397 1.913 50 0 FDAAMO Cn1cccc1C(=O)C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095377033 525049917 /nfs/dbraw/zinc/04/99/17/525049917.db2.gz WZRIQYBTBKVLIG-DOTOQJQBSA-N 1 1 352.438 1.726 50 0 FDAAMO Cn1cccc1C(=O)C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095377033 525049932 /nfs/dbraw/zinc/04/99/32/525049932.db2.gz WZRIQYBTBKVLIG-DOTOQJQBSA-N 1 1 352.438 1.726 50 0 FDAAMO COCC(=O)N1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095378376 525051196 /nfs/dbraw/zinc/05/11/96/525051196.db2.gz ACYWRQQQBUYACH-SFHVURJKSA-N 1 1 373.497 1.510 50 0 FDAAMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(OCC3CC3)nc2)C[C@H]1C ZINC000095461105 525072744 /nfs/dbraw/zinc/07/27/44/525072744.db2.gz WUQZAIYRSLANHO-HUUCEWRRSA-N 1 1 362.474 1.467 50 0 FDAAMO C[C@@H]1CN(C(=O)C[NH+]2CCC(CCCN3CCOCC3)CC2)CCO1 ZINC000095468475 525074700 /nfs/dbraw/zinc/07/47/00/525074700.db2.gz ZMONOYNKGCJNEW-QGZVFWFLSA-N 1 1 353.507 1.058 50 0 FDAAMO NC(=O)Cn1ccnc1C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000095498136 525080208 /nfs/dbraw/zinc/08/02/08/525080208.db2.gz MKFNRNQFYNPPQM-UHFFFAOYSA-N 1 1 367.453 1.137 50 0 FDAAMO COc1cccc(CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c1 ZINC000095499341 525082379 /nfs/dbraw/zinc/08/23/79/525082379.db2.gz QKMSDKQXMYOOIY-LJQANCHMSA-N 1 1 354.450 1.943 50 0 FDAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)CC1 ZINC000095504175 525087507 /nfs/dbraw/zinc/08/75/07/525087507.db2.gz RHXRJBDBFQPMDC-KRWDZBQOSA-N 1 1 367.453 1.532 50 0 FDAAMO Nc1ncccc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000095504285 525088955 /nfs/dbraw/zinc/08/89/55/525088955.db2.gz WYEAWFVDVSPHAE-CYBMUJFWSA-N 1 1 366.512 1.916 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000095504285 525088963 /nfs/dbraw/zinc/08/89/63/525088963.db2.gz WYEAWFVDVSPHAE-CYBMUJFWSA-N 1 1 366.512 1.916 50 0 FDAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000095507249 525090120 /nfs/dbraw/zinc/09/01/20/525090120.db2.gz XVKKTSDATIRYLH-LJQANCHMSA-N 1 1 370.497 1.840 50 0 FDAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000095507249 525090130 /nfs/dbraw/zinc/09/01/30/525090130.db2.gz XVKKTSDATIRYLH-LJQANCHMSA-N 1 1 370.497 1.840 50 0 FDAAMO O=C(Nc1ccccc1-n1cccn1)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095507318 525090214 /nfs/dbraw/zinc/09/02/14/525090214.db2.gz BGTRCGLTVAIRLK-ROUUACIJSA-N 1 1 371.441 1.172 50 0 FDAAMO O=C(Nc1ccccc1-n1cccn1)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000095507318 525090224 /nfs/dbraw/zinc/09/02/24/525090224.db2.gz BGTRCGLTVAIRLK-ROUUACIJSA-N 1 1 371.441 1.172 50 0 FDAAMO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2cncnc2)C1 ZINC000095529931 525106057 /nfs/dbraw/zinc/10/60/57/525106057.db2.gz NCOCBKFWWFGSGH-MRXNPFEDSA-N 1 1 370.453 1.892 50 0 FDAAMO CC(C)N1CCC[C@@H]([NH+]2CCN(Cc3cn4cccnc4n3)CC2)C1=O ZINC000095999474 525115728 /nfs/dbraw/zinc/11/57/28/525115728.db2.gz BLHJZAFIWZZHAT-QGZVFWFLSA-N 1 1 356.474 1.246 50 0 FDAAMO CC1([C@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011021 525120692 /nfs/dbraw/zinc/12/06/92/525120692.db2.gz LLEFHFZZOZMBEA-OALUTQOASA-N 1 1 374.481 1.889 50 0 FDAAMO CC1([C@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011021 525120700 /nfs/dbraw/zinc/12/07/00/525120700.db2.gz LLEFHFZZOZMBEA-OALUTQOASA-N 1 1 374.481 1.889 50 0 FDAAMO Cc1ccc(OCc2cc(C(=O)NCCC[NH+]3CCOCC3)no2)cn1 ZINC000020136309 525443991 /nfs/dbraw/zinc/44/39/91/525443991.db2.gz IYKPCIZXELUHNC-UHFFFAOYSA-N 1 1 360.414 1.409 50 0 FDAAMO COc1cc(C(=O)N2CC[NH+](C[C@H](O)CCOC(C)C)CC2)ccc1C ZINC000170606313 525641186 /nfs/dbraw/zinc/64/11/86/525641186.db2.gz LREJBCXSAURPHL-GOSISDBHSA-N 1 1 364.486 1.937 50 0 FDAAMO Cc1ocnc1C(=O)N1CCC(c2nnc(Cn3cc[nH+]c3C)n2C)CC1 ZINC000091551307 526833393 /nfs/dbraw/zinc/83/33/93/526833393.db2.gz YCPDVJQAFPTEIQ-UHFFFAOYSA-N 1 1 369.429 1.685 50 0 FDAAMO CC(C)[NH+]1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 ZINC000263616469 529039326 /nfs/dbraw/zinc/03/93/26/529039326.db2.gz IWOQNRPOMGHUGM-KRWDZBQOSA-N 1 1 373.432 1.855 50 0 FDAAMO COc1ccnc(N2CCN(C(=O)C3([NH3+])Cc4ccccc4C3)CC2)c1 ZINC000097229008 537113569 /nfs/dbraw/zinc/11/35/69/537113569.db2.gz DOHRSUDOULYZPX-UHFFFAOYSA-N 1 1 352.438 1.235 50 0 FDAAMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000247958692 537159394 /nfs/dbraw/zinc/15/93/94/537159394.db2.gz POLRSWCWPQNOOX-IAGOWNOFSA-N 1 1 351.443 1.618 50 0 FDAAMO Cn1cc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cn1 ZINC000252508794 537250608 /nfs/dbraw/zinc/25/06/08/537250608.db2.gz XTNKEKVUGLPBGR-CQSZACIVSA-N 1 1 360.414 1.072 50 0 FDAAMO Cc1c(C[N@@H+]2CCc3n[nH]c(CO)c3C2)c(=O)n(-c2ccccc2)n1C ZINC000216157745 537446197 /nfs/dbraw/zinc/44/61/97/537446197.db2.gz TWHUBGWCRIHEDY-UHFFFAOYSA-N 1 1 353.426 1.258 50 0 FDAAMO Cc1c(C[N@H+]2CCc3n[nH]c(CO)c3C2)c(=O)n(-c2ccccc2)n1C ZINC000216157745 537446208 /nfs/dbraw/zinc/44/62/08/537446208.db2.gz TWHUBGWCRIHEDY-UHFFFAOYSA-N 1 1 353.426 1.258 50 0 FDAAMO Cc1c[nH+]ccc1N1CCCN(c2cc(C3CC(O)C3)nc(N)n2)CC1 ZINC000220092592 537482904 /nfs/dbraw/zinc/48/29/04/537482904.db2.gz RGRRGUOTRAUQEW-UHFFFAOYSA-N 1 1 354.458 1.717 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000222036054 537502025 /nfs/dbraw/zinc/50/20/25/537502025.db2.gz JBAAVTAVWKTNMZ-PKOBYXMFSA-N 1 1 374.529 1.982 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000222036054 537502030 /nfs/dbraw/zinc/50/20/30/537502030.db2.gz JBAAVTAVWKTNMZ-PKOBYXMFSA-N 1 1 374.529 1.982 50 0 FDAAMO COc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000222036054 537502039 /nfs/dbraw/zinc/50/20/39/537502039.db2.gz JBAAVTAVWKTNMZ-PKOBYXMFSA-N 1 1 374.529 1.982 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000223217727 537521676 /nfs/dbraw/zinc/52/16/76/537521676.db2.gz BHPMEZSMWXXVLT-DLBZAZTESA-N 1 1 372.469 1.488 50 0 FDAAMO Cc1nc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)no1 ZINC000223581336 537529202 /nfs/dbraw/zinc/52/92/02/537529202.db2.gz XYZBNPVHDCNRQJ-SFHVURJKSA-N 1 1 369.469 1.687 50 0 FDAAMO O=C(CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1)NC1CCCCC1 ZINC000244633075 537649151 /nfs/dbraw/zinc/64/91/51/537649151.db2.gz FVZYEJFDQIPTHP-RTBURBONSA-N 1 1 373.497 1.691 50 0 FDAAMO Cn1c(CCNC(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)n[nH]c1=O ZINC000244673966 537650185 /nfs/dbraw/zinc/65/01/85/537650185.db2.gz HYZVJDDURFIAIW-MRXNPFEDSA-N 1 1 361.421 1.133 50 0 FDAAMO Cn1ccc(NC(=O)CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000244748753 537652490 /nfs/dbraw/zinc/65/24/90/537652490.db2.gz ONTYJADHDALUJK-UHFFFAOYSA-N 1 1 353.470 1.534 50 0 FDAAMO Cn1ccnc1CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000426563192 538424868 /nfs/dbraw/zinc/42/48/68/538424868.db2.gz URPSXGIJJUCPJW-ZWKOTPCHSA-N 1 1 374.533 1.512 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)[C@@]1(Cc2ccccc2)CCCCC(=O)N1 ZINC000575314096 550451887 /nfs/dbraw/zinc/45/18/87/550451887.db2.gz YKRNPACLMSKMNH-NRFANRHFSA-N 1 1 373.497 1.497 50 0 FDAAMO O=C(NCc1ccc2nc[nH]c2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000584885753 551564593 /nfs/dbraw/zinc/56/45/93/551564593.db2.gz QEGSGAIDJBISIT-MRXNPFEDSA-N 1 1 357.458 1.817 50 0 FDAAMO Cc1[nH+]ccn1CCN(C)C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000584895225 551566484 /nfs/dbraw/zinc/56/64/84/551566484.db2.gz LUJWNUOOKBVVTR-HNNXBMFYSA-N 1 1 359.405 1.778 50 0 FDAAMO NC(=O)c1ccc(-c2ccc(C(=O)NCCC[N@H+]3CCC[C@H](O)C3)cc2)o1 ZINC000426552379 570615882 /nfs/dbraw/zinc/61/58/82/570615882.db2.gz UTFQWNCLZBHEMB-INIZCTEOSA-N 1 1 371.437 1.622 50 0 FDAAMO CCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)CC[N@@H+]1CCOC ZINC000252515058 570623758 /nfs/dbraw/zinc/62/37/58/570623758.db2.gz GLDSXSMVVWMRMG-BRWVUGGUSA-N 1 1 353.507 1.735 50 0 FDAAMO CCC[C@@H]1CN(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)CC[N@H+]1CCOC ZINC000252515058 570623759 /nfs/dbraw/zinc/62/37/59/570623759.db2.gz GLDSXSMVVWMRMG-BRWVUGGUSA-N 1 1 353.507 1.735 50 0 FDAAMO CC[C@@](C)(CNC(=O)COCc1cccc(OC)c1)[NH+]1CCOCC1 ZINC000046788503 570874938 /nfs/dbraw/zinc/87/49/38/570874938.db2.gz KEYKSVRFAYOGIA-IBGZPJMESA-N 1 1 350.459 1.829 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045867444 570913474 /nfs/dbraw/zinc/91/34/74/570913474.db2.gz SRKWUQFUWNHQTJ-CMPLNLGQSA-N 1 1 350.385 1.356 50 0 FDAAMO O=C(CSc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000244716305 571115387 /nfs/dbraw/zinc/11/53/87/571115387.db2.gz LMSVKCCELFCDDX-QZTJIDSGSA-N 1 1 357.479 1.925 50 0 FDAAMO O=C(CSc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000244716305 571115390 /nfs/dbraw/zinc/11/53/90/571115390.db2.gz LMSVKCCELFCDDX-QZTJIDSGSA-N 1 1 357.479 1.925 50 0 FDAAMO COc1cc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1O ZINC000369896131 571126736 /nfs/dbraw/zinc/12/67/36/571126736.db2.gz OSCQTVXQUAHMHT-MRXNPFEDSA-N 1 1 363.458 1.797 50 0 FDAAMO CCN1C[C@@]2(CCC[N@H+](CC(=O)Nc3ccc(C(N)=O)cc3)C2)CCC1=O ZINC000252485044 571132220 /nfs/dbraw/zinc/13/22/20/571132220.db2.gz GMXMVDUUUQITEE-FQEVSTJZSA-N 1 1 372.469 1.449 50 0 FDAAMO CCN1C[C@@]2(CCC[N@@H+](CC(=O)Nc3ccc(C(N)=O)cc3)C2)CCC1=O ZINC000252485044 571132221 /nfs/dbraw/zinc/13/22/21/571132221.db2.gz GMXMVDUUUQITEE-FQEVSTJZSA-N 1 1 372.469 1.449 50 0 FDAAMO CSc1ncccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O ZINC000252491482 571132932 /nfs/dbraw/zinc/13/29/32/571132932.db2.gz LNHLOOIWZOUGDC-HZPDHXFCSA-N 1 1 358.467 1.564 50 0 FDAAMO CSc1ncccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O ZINC000252491482 571132934 /nfs/dbraw/zinc/13/29/34/571132934.db2.gz LNHLOOIWZOUGDC-HZPDHXFCSA-N 1 1 358.467 1.564 50 0 FDAAMO Cn1c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc2cccc(F)c21 ZINC000328596992 571135139 /nfs/dbraw/zinc/13/51/39/571135139.db2.gz CGBKICXXQSRJMA-MRXNPFEDSA-N 1 1 354.429 2.544 50 0 FDAAMO Cc1nnc(SCCCNc2cc([C@H]3CCOC3)[nH+]c(N)n2)s1 ZINC000426513654 571137114 /nfs/dbraw/zinc/13/71/14/571137114.db2.gz MZAWIAPWRJQUTE-JTQLQIEISA-N 1 1 352.489 1.739 50 0 FDAAMO Nc1ncc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)cc2)cn1 ZINC000426495572 571137534 /nfs/dbraw/zinc/13/75/34/571137534.db2.gz FDRZONLBBGFPLN-KRWDZBQOSA-N 1 1 355.442 1.302 50 0 FDAAMO Cc1c(C(=O)NC[C@H]2COCC[N@@H+](C)C2)sc2[nH]c(C)nc(=O)c12 ZINC000253536657 571137650 /nfs/dbraw/zinc/13/76/50/571137650.db2.gz ZXABVHSJTXNBEV-LLVKDONJSA-N 1 1 350.444 1.322 50 0 FDAAMO Cc1c(C(=O)NC[C@H]2COCC[N@H+](C)C2)sc2[nH]c(C)nc(=O)c12 ZINC000253536657 571137652 /nfs/dbraw/zinc/13/76/52/571137652.db2.gz ZXABVHSJTXNBEV-LLVKDONJSA-N 1 1 350.444 1.322 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[N@@H+]3CCCN(S(C)(=O)=O)CC3)cc2c1 ZINC000253537321 571138168 /nfs/dbraw/zinc/13/81/68/571138168.db2.gz MSWSWGLLWSFJED-UHFFFAOYSA-N 1 1 365.455 1.416 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[N@H+]3CCCN(S(C)(=O)=O)CC3)cc2c1 ZINC000253537321 571138171 /nfs/dbraw/zinc/13/81/71/571138171.db2.gz MSWSWGLLWSFJED-UHFFFAOYSA-N 1 1 365.455 1.416 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CC[N@@H+]([C@@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426399297 571220084 /nfs/dbraw/zinc/22/00/84/571220084.db2.gz WWHXVGXUOSZZPE-GOSISDBHSA-N 1 1 357.433 1.753 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CC[N@H+]([C@@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426399297 571220087 /nfs/dbraw/zinc/22/00/87/571220087.db2.gz WWHXVGXUOSZZPE-GOSISDBHSA-N 1 1 357.433 1.753 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)N2CCc3c(Cl)cccc3C2)C1 ZINC000426405447 571220953 /nfs/dbraw/zinc/22/09/53/571220953.db2.gz FDIMDTCGCLJRGI-AWEZNQCLSA-N 1 1 364.877 1.605 50 0 FDAAMO CN(Cc1n[nH]c2c1CCCC2)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426422798 571223420 /nfs/dbraw/zinc/22/34/20/571223420.db2.gz FZCLKQCPGMPZCN-CQSZACIVSA-N 1 1 356.474 1.611 50 0 FDAAMO CC(C)n1cc(CN(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000426491544 571227933 /nfs/dbraw/zinc/22/79/33/571227933.db2.gz PADWXQPGTXHXMT-INIZCTEOSA-N 1 1 364.494 1.193 50 0 FDAAMO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@H+](CCOCCO)C2 ZINC000426525937 571230166 /nfs/dbraw/zinc/23/01/66/571230166.db2.gz LXCWJVJJFDBXDH-IBGZPJMESA-N 1 1 350.434 1.649 50 0 FDAAMO COC(=O)c1cccc(-c2ccc(C(=O)N[C@@H]3C[C@@H](CO)[N@@H+](C)C3)cc2)c1 ZINC000426541511 571230778 /nfs/dbraw/zinc/23/07/78/571230778.db2.gz QAMSHTWBUASLRM-MOPGFXCFSA-N 1 1 368.433 1.935 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1ccc2c(c1)CCO2 ZINC000426628686 571233751 /nfs/dbraw/zinc/23/37/51/571233751.db2.gz CHQJPLYBDQUKQC-QZTJIDSGSA-N 1 1 353.422 1.382 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1ccc2c(c1)CCO2 ZINC000426628686 571233752 /nfs/dbraw/zinc/23/37/52/571233752.db2.gz CHQJPLYBDQUKQC-QZTJIDSGSA-N 1 1 353.422 1.382 50 0 FDAAMO CC(=O)NCc1cc2n(n1)CCN(C(=O)[C@H](c1ccccc1C)[NH+](C)C)C2 ZINC000426690216 571235321 /nfs/dbraw/zinc/23/53/21/571235321.db2.gz BZXGHIRGKLHTIR-IBGZPJMESA-N 1 1 369.469 1.473 50 0 FDAAMO Cc1noc(C)c1CN(C)C(=O)C1CC[NH+]([C@H]2CCS(=O)(=O)C2)CC1 ZINC000426712212 571236294 /nfs/dbraw/zinc/23/62/94/571236294.db2.gz TXFDYVTWRIQUEF-HNNXBMFYSA-N 1 1 369.487 1.149 50 0 FDAAMO C[NH+]1CCN(C(=O)C[C@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000252485701 571280449 /nfs/dbraw/zinc/28/04/49/571280449.db2.gz HBUMPUXZPCACGI-MRXNPFEDSA-N 1 1 366.421 1.633 50 0 FDAAMO O=S(=O)(NCCC[N@@H+]1CCC[C@H](O)C1)c1ccc(-c2ccno2)o1 ZINC000670444431 571349811 /nfs/dbraw/zinc/34/98/11/571349811.db2.gz NGIUWONZCFTNIT-LBPRGKRZSA-N 1 1 355.416 1.060 50 0 FDAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000012299508 670612108 /nfs/dbraw/zinc/61/21/08/670612108.db2.gz YIRVPLPAJGIARB-KRWDZBQOSA-N 1 1 352.500 1.997 50 0 FDAAMO CC[NH+]1CCN(C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)CC1 ZINC000019839276 670668645 /nfs/dbraw/zinc/66/86/45/670668645.db2.gz HJEBGIPVMLRWGC-FQEVSTJZSA-N 1 1 351.535 1.948 50 0 FDAAMO Cc1c(Cl)cccc1C(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCN(C)C)C1 ZINC000091547235 671511393 /nfs/dbraw/zinc/51/13/93/671511393.db2.gz HYBPNCWMHKBYEL-HZPDHXFCSA-N 1 1 367.921 1.822 50 0 FDAAMO Cc1c(Cl)cccc1C(=O)N1C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C1 ZINC000091547235 671511395 /nfs/dbraw/zinc/51/13/95/671511395.db2.gz HYBPNCWMHKBYEL-HZPDHXFCSA-N 1 1 367.921 1.822 50 0 FDAAMO [NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 ZINC000193312466 672366496 /nfs/dbraw/zinc/36/64/96/672366496.db2.gz GRAITYOPDRIZIT-UHFFFAOYSA-N 1 1 368.377 1.256 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccnc3C)CC2)C12CCOCC2 ZINC000257183843 793944188 /nfs/dbraw/zinc/94/41/88/793944188.db2.gz SKURZNLEHJTYOE-GOSISDBHSA-N 1 1 359.470 1.874 50 0 FDAAMO CCCC[N@@H+]1CCn2c(nnc2[C@@H]2C[C@@H](O)CN2Cc2ccncc2)C1 ZINC000675010550 795209859 /nfs/dbraw/zinc/20/98/59/795209859.db2.gz JKEMHDCHEJMWAA-SJORKVTESA-N 1 1 356.474 1.597 50 0 FDAAMO CCCC[N@H+]1CCn2c(nnc2[C@@H]2C[C@@H](O)CN2Cc2ccncc2)C1 ZINC000675010550 795209861 /nfs/dbraw/zinc/20/98/61/795209861.db2.gz JKEMHDCHEJMWAA-SJORKVTESA-N 1 1 356.474 1.597 50 0 FDAAMO Cn1cc[nH+]c1CC1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000178771374 810239618 /nfs/dbraw/zinc/23/96/18/810239618.db2.gz QMOJXVGXFLRXTN-INIZCTEOSA-N 1 1 356.474 1.630 50 0 FDAAMO CCOc1ccc(C[N@H+]2C[C@@H]3C(=O)N(CCOC)C(=O)[C@@H]3C2)cc1OC ZINC000169757461 864489373 /nfs/dbraw/zinc/48/93/73/864489373.db2.gz UICYFTPHULTBAW-GASCZTMLSA-N 1 1 362.426 1.157 50 0 FDAAMO COCC[N@H+]1CCOC[C@H]2CCN(C(=O)c3cccc4[nH]ccc43)C[C@H]21 ZINC000169784296 864514586 /nfs/dbraw/zinc/51/45/86/864514586.db2.gz AKHXZAOZHPORRF-DNVCBOLYSA-N 1 1 357.454 1.977 50 0 FDAAMO O=C(CCN1CCOCC1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012313912 877996526 /nfs/dbraw/zinc/99/65/26/877996526.db2.gz JELDFMKQVLUKJH-LJQANCHMSA-N 1 1 357.498 1.457 50 0 FDAAMO COCc1nnc([C@@H]2CC3(C[N@@H+]2C)CCN(C(=O)c2nccn2C)CC3)o1 ZINC000169787235 907106550 /nfs/dbraw/zinc/10/65/50/907106550.db2.gz DMLSOVMXUWRYIE-ZDUSSCGKSA-N 1 1 374.445 1.249 50 0 FDAAMO COCc1nnc([C@@H]2CC3(C[N@H+]2C)CCN(C(=O)c2nccn2C)CC3)o1 ZINC000169787235 907106572 /nfs/dbraw/zinc/10/65/72/907106572.db2.gz DMLSOVMXUWRYIE-ZDUSSCGKSA-N 1 1 374.445 1.249 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000823557262 921946662 /nfs/dbraw/zinc/94/66/62/921946662.db2.gz ILZYFAYFKFSJPE-UHFFFAOYSA-N 1 1 364.471 1.530 50 0 FDAAMO O=C(CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1nncs1 ZINC000828013279 924809380 /nfs/dbraw/zinc/80/93/80/924809380.db2.gz QEWJZCFWDRUWBI-CQSZACIVSA-N 1 1 359.455 1.648 50 0 FDAAMO CC1CCN(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)CC1 ZINC000828711125 924927082 /nfs/dbraw/zinc/92/70/82/924927082.db2.gz HPBNVLWAJHPFPO-MRXNPFEDSA-N 1 1 359.536 1.132 50 0 FDAAMO COCCCn1c(C)c[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000581815650 927609891 /nfs/dbraw/zinc/60/98/91/927609891.db2.gz DZZNCSPBHNUFOF-CQSZACIVSA-N 1 1 367.475 1.140 50 0 FDAAMO CN1CCC[N@@H+](C[C@H]2C[C@@H](CO)CN(C(=O)Cc3ccccc3)C2)CC1 ZINC000219603999 943928593 /nfs/dbraw/zinc/92/85/93/943928593.db2.gz WZGVIDGJAXZCFY-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO C[N@@H+]1CCCN(C[C@H]2C[C@@H](CO)CN(C(=O)Cc3ccccc3)C2)CC1 ZINC000219603999 943928596 /nfs/dbraw/zinc/92/85/96/943928596.db2.gz WZGVIDGJAXZCFY-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO C[N@H+]1CCCN(C[C@H]2C[C@@H](CO)CN(C(=O)Cc3ccccc3)C2)CC1 ZINC000219603999 943928599 /nfs/dbraw/zinc/92/85/99/943928599.db2.gz WZGVIDGJAXZCFY-WOJBJXKFSA-N 1 1 359.514 1.324 50 0 FDAAMO COc1ccc2[nH]c(C[NH2+]Cc3cnc(N4CCOCC4)nc3)nc2c1 ZINC000952868290 960206563 /nfs/dbraw/zinc/20/65/63/960206563.db2.gz IQEJEOLCGAXWKC-UHFFFAOYSA-N 1 1 354.414 1.488 50 0 FDAAMO CN(CC[N@H+](C)C1CCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000952969425 960261527 /nfs/dbraw/zinc/26/15/27/960261527.db2.gz AJGYPRWMGHWEHM-UHFFFAOYSA-N 1 1 374.528 1.585 50 0 FDAAMO CN(CC[N@@H+](C)C1CCCC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000952969425 960261538 /nfs/dbraw/zinc/26/15/38/960261538.db2.gz AJGYPRWMGHWEHM-UHFFFAOYSA-N 1 1 374.528 1.585 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1F ZINC000952971304 960265036 /nfs/dbraw/zinc/26/50/36/960265036.db2.gz NHQAUALNSDDQIX-AWEZNQCLSA-N 1 1 374.478 1.548 50 0 FDAAMO COc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc1F ZINC000952971304 960265041 /nfs/dbraw/zinc/26/50/41/960265041.db2.gz NHQAUALNSDDQIX-AWEZNQCLSA-N 1 1 374.478 1.548 50 0 FDAAMO NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000952981041 960269984 /nfs/dbraw/zinc/26/99/84/960269984.db2.gz RKZUTHFEYPDHGM-QGZVFWFLSA-N 1 1 358.486 1.808 50 0 FDAAMO NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000952981041 960269997 /nfs/dbraw/zinc/26/99/97/960269997.db2.gz RKZUTHFEYPDHGM-QGZVFWFLSA-N 1 1 358.486 1.808 50 0 FDAAMO Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000952975680 960272153 /nfs/dbraw/zinc/27/21/53/960272153.db2.gz JXQKZJQCPLQVSX-PBHICJAKSA-N 1 1 369.469 1.434 50 0 FDAAMO C[NH+]1CCN(C(=O)Cc2cccc(NCc3cn(C(C)(C)C)nn3)c2)CC1 ZINC000191444673 178055542 /nfs/dbraw/zinc/05/55/42/178055542.db2.gz QXCGEKMQIPEQJO-UHFFFAOYSA-N 1 1 370.501 1.962 50 0 FDAAMO Cn1c2ccc(CN3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)cc2sc1=O ZINC000195039843 178236708 /nfs/dbraw/zinc/23/67/08/178236708.db2.gz UDFVPCZFTIOKGI-MRXNPFEDSA-N 1 1 374.510 1.338 50 0 FDAAMO O=S(=O)(CC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000521396838 539517470 /nfs/dbraw/zinc/51/74/70/539517470.db2.gz FODSRDKBSZDSRH-UHFFFAOYSA-N 1 1 356.463 1.700 50 0 FDAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc3nncn3c(N)n2)cc1 ZINC000534634803 540392216 /nfs/dbraw/zinc/39/22/16/540392216.db2.gz UGDALPLMQKCPIB-HNNXBMFYSA-N 1 1 365.441 1.588 50 0 FDAAMO COc1cccc(-n2cc([C@H](C)NC(=O)CN3CCC[N@@H+](C)CC3)cn2)c1 ZINC000299764048 223086925 /nfs/dbraw/zinc/08/69/25/223086925.db2.gz QZBJZFLXTOPASW-INIZCTEOSA-N 1 1 371.485 1.696 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Cc1cc2c(cc1Cl)OCCO2 ZINC000299789474 223098407 /nfs/dbraw/zinc/09/84/07/223098407.db2.gz YARTVLJVMQASOC-YOEHRIQHSA-N 1 1 368.861 1.878 50 0 FDAAMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000299791875 223099567 /nfs/dbraw/zinc/09/95/67/223099567.db2.gz GENGCMCIGWDRFS-HNNXBMFYSA-N 1 1 356.426 1.128 50 0 FDAAMO C[N@@H+](Cc1ccno1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012612822 220013350 /nfs/dbraw/zinc/01/33/50/220013350.db2.gz PFEORLNDGCVXOX-SFHVURJKSA-N 1 1 365.380 1.938 50 0 FDAAMO Cc1oc(-c2ccccc2)nc1CC(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000012729351 220022160 /nfs/dbraw/zinc/02/21/60/220022160.db2.gz XQTAKLNDYXXYHH-UHFFFAOYSA-N 1 1 356.426 1.258 50 0 FDAAMO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCCN(C(C)=O)CC2)cc1OC ZINC000012793837 220030017 /nfs/dbraw/zinc/03/00/17/220030017.db2.gz SPWAJRFONIXKRR-AWEZNQCLSA-N 1 1 363.458 1.263 50 0 FDAAMO COc1ccc(CNC(=O)[C@H](C)[N@H+]2CCCN(C(C)=O)CC2)cc1OC ZINC000012793837 220030019 /nfs/dbraw/zinc/03/00/19/220030019.db2.gz SPWAJRFONIXKRR-AWEZNQCLSA-N 1 1 363.458 1.263 50 0 FDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981689 220048480 /nfs/dbraw/zinc/04/84/80/220048480.db2.gz KPQHXGMMDMSOKR-UONOGXRCSA-N 1 1 369.473 1.932 50 0 FDAAMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012981689 220048481 /nfs/dbraw/zinc/04/84/81/220048481.db2.gz KPQHXGMMDMSOKR-UONOGXRCSA-N 1 1 369.473 1.932 50 0 FDAAMO O=c1c2cnc3nc(-c4ccncc4)nn3c2ccn1CCc1cnc[nH]1 ZINC000013685412 220085783 /nfs/dbraw/zinc/08/57/83/220085783.db2.gz KOEJCUDKFSIEIK-UHFFFAOYSA-N 1 1 358.365 1.467 50 0 FDAAMO CC[C@H](C(=O)N1CC[NH+](C)CC1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715697 220089993 /nfs/dbraw/zinc/08/99/93/220089993.db2.gz PWBMGDITYMJIRY-OAHLLOKOSA-N 1 1 357.451 1.144 50 0 FDAAMO Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CCc2ccccc2)o1 ZINC000014976441 220139225 /nfs/dbraw/zinc/13/92/25/220139225.db2.gz SRTRTUIROSTAAX-LJQANCHMSA-N 1 1 369.465 1.980 50 0 FDAAMO Cc1ccc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CCc2ccccc2)o1 ZINC000014976441 220139228 /nfs/dbraw/zinc/13/92/28/220139228.db2.gz SRTRTUIROSTAAX-LJQANCHMSA-N 1 1 369.465 1.980 50 0 FDAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCCCO1 ZINC000282767310 182053594 /nfs/dbraw/zinc/05/35/94/182053594.db2.gz DGKCGBSCADMBRE-UHFFFAOYSA-N 1 1 362.430 1.642 50 0 FDAAMO CC[NH+]1CCN(C(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1 ZINC000015727989 220162216 /nfs/dbraw/zinc/16/22/16/220162216.db2.gz HSKVXDPFCFUVKX-UHFFFAOYSA-N 1 1 374.514 1.709 50 0 FDAAMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CC[NH+](C)CC1 ZINC000019372123 220252817 /nfs/dbraw/zinc/25/28/17/220252817.db2.gz QWBZAEDISPWRTJ-UHFFFAOYSA-N 1 1 362.405 1.670 50 0 FDAAMO CCN1CC[NH+](C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)CC1 ZINC000019367239 220253797 /nfs/dbraw/zinc/25/37/97/220253797.db2.gz CKQAFJIAMXHDJD-HNNXBMFYSA-N 1 1 372.465 1.659 50 0 FDAAMO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](C)CC1)CCC2 ZINC000019758719 220294848 /nfs/dbraw/zinc/29/48/48/220294848.db2.gz MXUOVNSVIWJCCE-UHFFFAOYSA-N 1 1 351.472 1.599 50 0 FDAAMO O=C1Nc2ncccc2O[C@H]1CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020218647 220318044 /nfs/dbraw/zinc/31/80/44/220318044.db2.gz UWWDDFGVXDFNNV-SFHVURJKSA-N 1 1 352.438 1.989 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)N3CCC(OC)CC3)Cc3ccccc3C2)CC1 ZINC000020601627 220334592 /nfs/dbraw/zinc/33/45/92/220334592.db2.gz DCQNPXOPBKUMCN-UHFFFAOYSA-N 1 1 371.525 1.799 50 0 FDAAMO CCN1CC[NH+](C2(C(=O)N3CCC(OC)CC3)Cc3ccccc3C2)CC1 ZINC000020601627 220334594 /nfs/dbraw/zinc/33/45/94/220334594.db2.gz DCQNPXOPBKUMCN-UHFFFAOYSA-N 1 1 371.525 1.799 50 0 FDAAMO CSc1ncc(C(=O)N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)c(=O)[nH]1 ZINC000299794570 533081493 /nfs/dbraw/zinc/08/14/93/533081493.db2.gz KRLDYJYZUKANQW-LBPRGKRZSA-N 1 1 366.487 1.213 50 0 FDAAMO CC[N@@H+]1CCc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1 ZINC000021294131 220356717 /nfs/dbraw/zinc/35/67/17/220356717.db2.gz QXPNIAIYLSZDOX-UHFFFAOYSA-N 1 1 369.450 1.870 50 0 FDAAMO CC[N@H+]1CCc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C1 ZINC000021294131 220356721 /nfs/dbraw/zinc/35/67/21/220356721.db2.gz QXPNIAIYLSZDOX-UHFFFAOYSA-N 1 1 369.450 1.870 50 0 FDAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000048355802 221009758 /nfs/dbraw/zinc/00/97/58/221009758.db2.gz DRRDRBCRXJXACB-CQSZACIVSA-N 1 1 350.463 1.232 50 0 FDAAMO C[N@@H+]1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000048277391 221004438 /nfs/dbraw/zinc/00/44/38/221004438.db2.gz RYHXMLYOMFUSIZ-IBGZPJMESA-N 1 1 369.440 2.000 50 0 FDAAMO C[N@H+]1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)[C@H](c2ccccc2)C1 ZINC000048277391 221004440 /nfs/dbraw/zinc/00/44/40/221004440.db2.gz RYHXMLYOMFUSIZ-IBGZPJMESA-N 1 1 369.440 2.000 50 0 FDAAMO O=C(CCSc1ccc2c(c1)OCCO2)NCC[N@@H+]1CCC[C@H](O)C1 ZINC000055270456 221064038 /nfs/dbraw/zinc/06/40/38/221064038.db2.gz CNSMFIAPHUMGAI-AWEZNQCLSA-N 1 1 366.483 1.513 50 0 FDAAMO CCN1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(C)s2)CC1 ZINC000055325268 221066229 /nfs/dbraw/zinc/06/62/29/221066229.db2.gz COAUWNFYVPXMJT-UHFFFAOYSA-N 1 1 352.548 1.584 50 0 FDAAMO Cc1cnc(C[NH2+]Cc2ccc(OCC(=O)N3CCOCC3)cc2)cn1 ZINC000055060601 221057556 /nfs/dbraw/zinc/05/75/56/221057556.db2.gz PHNIAUSVUXPWSK-UHFFFAOYSA-N 1 1 356.426 1.312 50 0 FDAAMO NC(=O)NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000058168400 221101341 /nfs/dbraw/zinc/10/13/41/221101341.db2.gz DFNTWCDMOPKJCH-LBPRGKRZSA-N 1 1 356.220 1.407 50 0 FDAAMO NC(=O)NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000058168400 221101343 /nfs/dbraw/zinc/10/13/43/221101343.db2.gz DFNTWCDMOPKJCH-LBPRGKRZSA-N 1 1 356.220 1.407 50 0 FDAAMO COc1ccc(CC[NH+]2CCN(CC(=O)Nc3cc(C)no3)CC2)cc1 ZINC000058181793 221103943 /nfs/dbraw/zinc/10/39/43/221103943.db2.gz VAMJUAPTPTYLTF-UHFFFAOYSA-N 1 1 358.442 1.790 50 0 FDAAMO COc1ccc(CC(=O)N2CC[NH+](CCn3cccn3)CC2)cc1OC ZINC000062021993 221138697 /nfs/dbraw/zinc/13/86/97/221138697.db2.gz NERYRPYQYIUEEA-UHFFFAOYSA-N 1 1 358.442 1.287 50 0 FDAAMO Cc1ccsc1[C@@H]1CC[N@H+](C2CCN(S(C)(=O)=O)CC2)C[C@H]1O ZINC000065403299 221212269 /nfs/dbraw/zinc/21/22/69/221212269.db2.gz HKBZCAZFCNLWNH-HUUCEWRRSA-N 1 1 358.529 1.631 50 0 FDAAMO Nc1nc(C[NH2+]C[C@]2(O)CCCN(CCc3ccccc3)C2=O)cs1 ZINC000067432541 221252550 /nfs/dbraw/zinc/25/25/50/221252550.db2.gz CIUUMDWBTMOWNW-GOSISDBHSA-N 1 1 360.483 1.411 50 0 FDAAMO Cc1ccc(CN2CCC3(CC2)C(=O)NCCC[N@@H+]3C)n1-c1cccnc1 ZINC000067692405 221272465 /nfs/dbraw/zinc/27/24/65/221272465.db2.gz HZQDLPYFIWBKPV-UHFFFAOYSA-N 1 1 367.497 1.967 50 0 FDAAMO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCCN3C)n1-c1cccnc1 ZINC000067692405 221272468 /nfs/dbraw/zinc/27/24/68/221272468.db2.gz HZQDLPYFIWBKPV-UHFFFAOYSA-N 1 1 367.497 1.967 50 0 FDAAMO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cn[nH]c1-c1ccccc1F ZINC000067754294 221280959 /nfs/dbraw/zinc/28/09/59/221280959.db2.gz SSEYDBAISZESMI-ABAIWWIYSA-N 1 1 359.405 1.282 50 0 FDAAMO CC(C)[C@@H](NC(=O)c1n[nH]c2ccccc21)c1nnc2n1CC[NH2+]CC2 ZINC000067871625 221298184 /nfs/dbraw/zinc/29/81/84/221298184.db2.gz URAJUFXEXBZXJU-OAHLLOKOSA-N 1 1 353.430 1.427 50 0 FDAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCOCC3)C2=O)c1 ZINC000067868993 221298395 /nfs/dbraw/zinc/29/83/95/221298395.db2.gz DDEKZARZKUSBGG-GOSISDBHSA-N 1 1 352.406 1.020 50 0 FDAAMO C[NH2+][C@@H](CO)C(=O)NCc1nc(-c2ccccn2)c(-c2ccc(C)cc2)[nH]1 ZINC000067821444 221291145 /nfs/dbraw/zinc/29/11/45/221291145.db2.gz LTXFDBZOWCJIPN-INIZCTEOSA-N 1 1 365.437 1.644 50 0 FDAAMO Cc1c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c2ccccc2n1CC(N)=O ZINC000067934643 221306669 /nfs/dbraw/zinc/30/66/69/221306669.db2.gz ZMIWFFYWCVJFEJ-NRFANRHFSA-N 1 1 368.481 1.879 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)[nH]n1 ZINC000067974765 221310638 /nfs/dbraw/zinc/31/06/38/221310638.db2.gz XXVJPBDANAUMNI-MRXNPFEDSA-N 1 1 373.501 1.657 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n[nH]1 ZINC000067974765 221310643 /nfs/dbraw/zinc/31/06/43/221310643.db2.gz XXVJPBDANAUMNI-MRXNPFEDSA-N 1 1 373.501 1.657 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n[nH]1 ZINC000067974765 221310647 /nfs/dbraw/zinc/31/06/47/221310647.db2.gz XXVJPBDANAUMNI-MRXNPFEDSA-N 1 1 373.501 1.657 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)Cc1nnc(-c3ccccc3)[nH]1)CC2 ZINC000067982904 221311415 /nfs/dbraw/zinc/31/14/15/221311415.db2.gz JWRDSLBOTHIAKF-UHFFFAOYSA-N 1 1 368.485 1.253 50 0 FDAAMO CN1CC[N@H+](C)CC12CCN(C(=O)Cc1nc(-c3ccccc3)n[nH]1)CC2 ZINC000067982904 221311417 /nfs/dbraw/zinc/31/14/17/221311417.db2.gz JWRDSLBOTHIAKF-UHFFFAOYSA-N 1 1 368.485 1.253 50 0 FDAAMO CN1CC[N@@H+](C)CC12CCN(C(=O)Cc1nc(-c3ccccc3)n[nH]1)CC2 ZINC000067982904 221311419 /nfs/dbraw/zinc/31/14/19/221311419.db2.gz JWRDSLBOTHIAKF-UHFFFAOYSA-N 1 1 368.485 1.253 50 0 FDAAMO CN1CC[N@H+](C)C2(CCN(C(=O)Cc3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000067982904 221311420 /nfs/dbraw/zinc/31/14/20/221311420.db2.gz JWRDSLBOTHIAKF-UHFFFAOYSA-N 1 1 368.485 1.253 50 0 FDAAMO CN1CC[N@@H+](C)C2(CCN(C(=O)Cc3nnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000067982904 221311421 /nfs/dbraw/zinc/31/14/21/221311421.db2.gz JWRDSLBOTHIAKF-UHFFFAOYSA-N 1 1 368.485 1.253 50 0 FDAAMO CCc1nc(N)sc1C(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1 ZINC000067982428 221312499 /nfs/dbraw/zinc/31/24/99/221312499.db2.gz OTYBCOKXNOTBMK-UHFFFAOYSA-N 1 1 351.520 1.530 50 0 FDAAMO CCc1nc(N)sc1C(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1 ZINC000067982428 221312501 /nfs/dbraw/zinc/31/25/01/221312501.db2.gz OTYBCOKXNOTBMK-UHFFFAOYSA-N 1 1 351.520 1.530 50 0 FDAAMO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CCOC)C3)c1C ZINC000069807765 221328522 /nfs/dbraw/zinc/32/85/22/221328522.db2.gz QOJVMPHJFZOJKA-UHFFFAOYSA-N 1 1 357.458 1.720 50 0 FDAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)c1 ZINC000071439494 221348625 /nfs/dbraw/zinc/34/86/25/221348625.db2.gz ZKATWVSVJJDXAI-HNNXBMFYSA-N 1 1 371.437 1.945 50 0 FDAAMO Cc1ncc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1 ZINC000071524065 221350762 /nfs/dbraw/zinc/35/07/62/221350762.db2.gz XBMYLTDLKHKTDP-OAHLLOKOSA-N 1 1 371.485 1.380 50 0 FDAAMO Cc1cnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)cn1 ZINC000071746652 221358140 /nfs/dbraw/zinc/35/81/40/221358140.db2.gz ICRPUNQKMONVRJ-QGZVFWFLSA-N 1 1 359.518 1.986 50 0 FDAAMO Cc1cnc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)cn1 ZINC000071746652 221358142 /nfs/dbraw/zinc/35/81/42/221358142.db2.gz ICRPUNQKMONVRJ-QGZVFWFLSA-N 1 1 359.518 1.986 50 0 FDAAMO Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CCO[C@H](Cc2cccc3ccccc32)C1 ZINC000071745540 221358178 /nfs/dbraw/zinc/35/81/78/221358178.db2.gz PKRNBSGCFIIZAW-QGZVFWFLSA-N 1 1 365.433 1.968 50 0 FDAAMO Cc1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)no1 ZINC000071750752 221362360 /nfs/dbraw/zinc/36/23/60/221362360.db2.gz GOTVADRZFTWBAN-AWEZNQCLSA-N 1 1 360.458 1.578 50 0 FDAAMO COCCN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000071752136 221363901 /nfs/dbraw/zinc/36/39/01/221363901.db2.gz ORRDVROQTRIIOP-GOSISDBHSA-N 1 1 374.529 1.863 50 0 FDAAMO O=C([O-])C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000071755516 221365321 /nfs/dbraw/zinc/36/53/21/221365321.db2.gz DQULFMRUXIIQFG-KRWDZBQOSA-N 1 1 359.470 1.564 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCN(Cc3ncccn3)CC2)C1)N1CCCC1 ZINC000071757324 221366542 /nfs/dbraw/zinc/36/65/42/221366542.db2.gz NYONNRAWACDJIS-KRWDZBQOSA-N 1 1 357.502 1.775 50 0 FDAAMO COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071639514 221354033 /nfs/dbraw/zinc/35/40/33/221354033.db2.gz UJZDSNHPWNEYPA-HNNXBMFYSA-N 1 1 366.531 1.582 50 0 FDAAMO Cn1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071707928 221354172 /nfs/dbraw/zinc/35/41/72/221354172.db2.gz OFBDNUAZCWZDOW-MRXNPFEDSA-N 1 1 373.501 1.359 50 0 FDAAMO Cc1ccc[nH+]c1NCCNc1ncnc2c1CCN(C(=O)C1CC1)C2 ZINC000071712104 221355704 /nfs/dbraw/zinc/35/57/04/221355704.db2.gz HLKDYTWDLMAANA-UHFFFAOYSA-N 1 1 352.442 1.999 50 0 FDAAMO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000071972329 221391017 /nfs/dbraw/zinc/39/10/17/221391017.db2.gz GVCVNFMINCMWFH-ZDUSSCGKSA-N 1 1 362.517 1.489 50 0 FDAAMO CCOc1ccccc1C(=O)N1CC[NH2+]C[C@@H]1C(=O)NCc1ccccn1 ZINC000072149559 221427706 /nfs/dbraw/zinc/42/77/06/221427706.db2.gz OIDQCMFKBHDNAC-QGZVFWFLSA-N 1 1 368.437 1.211 50 0 FDAAMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)[C@@H](C)C1 ZINC000184870915 177648762 /nfs/dbraw/zinc/64/87/62/177648762.db2.gz NUBVHTOMQVYBSV-HOCLYGCPSA-N 1 1 365.499 1.714 50 0 FDAAMO CS(=O)(=O)NCc1cc2n(n1)CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000299759788 533408771 /nfs/dbraw/zinc/40/87/71/533408771.db2.gz NJUZVGFFRUXZGT-NSCUHMNNSA-N 1 1 364.446 1.600 50 0 FDAAMO CS(=O)(=O)NCc1cc2n(n1)CC[N@@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000299759788 533408772 /nfs/dbraw/zinc/40/87/72/533408772.db2.gz NJUZVGFFRUXZGT-NSCUHMNNSA-N 1 1 364.446 1.600 50 0 FDAAMO CNc1cc(N2CCC3(CC2)c2[nH]cnc2CC[N@@H+]3CC(C)C)nc(N)n1 ZINC000091381129 132201119 /nfs/dbraw/zinc/20/11/19/132201119.db2.gz HYDGHBATMIMXSX-UHFFFAOYSA-N 1 1 370.505 1.833 50 0 FDAAMO CN(C)c1cncc(N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000095387664 132210105 /nfs/dbraw/zinc/21/01/05/132210105.db2.gz VIXCWRWPZDMEBM-MRXNPFEDSA-N 1 1 372.517 1.456 50 0 FDAAMO Cn1ccnc1SCC[NH2+]C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000095500949 132212398 /nfs/dbraw/zinc/21/23/98/132212398.db2.gz HCYKLPDBCXMIKU-UHFFFAOYSA-N 1 1 358.475 1.437 50 0 FDAAMO C[NH+]1CCN(c2cc(C(=O)Nc3ccc(Cl)c(C(N)=O)c3)ccn2)CC1 ZINC000095958564 132216175 /nfs/dbraw/zinc/21/61/75/132216175.db2.gz VXZRYTLJKAJADC-UHFFFAOYSA-N 1 1 373.844 1.838 50 0 FDAAMO Cc1cc(N2CCN(CCn3cncn3)CC2)c2cc3c(cc2[nH+]1)OCO3 ZINC000096133430 132219870 /nfs/dbraw/zinc/21/98/70/132219870.db2.gz UKVYKYOPKNWNNI-UHFFFAOYSA-N 1 1 366.425 1.686 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(c2nccc(OC)n2)C[C@H]1CCO ZINC000106976114 132266008 /nfs/dbraw/zinc/26/60/08/132266008.db2.gz KCUSWHZCNODRRZ-QGZVFWFLSA-N 1 1 372.469 1.957 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(c2nccc(OC)n2)C[C@H]1CCO ZINC000106976114 132266009 /nfs/dbraw/zinc/26/60/09/132266009.db2.gz KCUSWHZCNODRRZ-QGZVFWFLSA-N 1 1 372.469 1.957 50 0 FDAAMO CNc1nc(N2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)nc2c1CCC2 ZINC000106949289 132266256 /nfs/dbraw/zinc/26/62/56/132266256.db2.gz DCXDFNMOXGRJMV-OAHLLOKOSA-N 1 1 371.485 1.982 50 0 FDAAMO CNc1nc(N2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)nc2c1CCC2 ZINC000106949289 132266258 /nfs/dbraw/zinc/26/62/58/132266258.db2.gz DCXDFNMOXGRJMV-OAHLLOKOSA-N 1 1 371.485 1.982 50 0 FDAAMO CCc1cc(N2CC[NH+](Cc3cccc(OCC(N)=O)c3)CC2)ncn1 ZINC000215713074 132270268 /nfs/dbraw/zinc/27/02/68/132270268.db2.gz WKNGAPYBRRKZFA-UHFFFAOYSA-N 1 1 355.442 1.225 50 0 FDAAMO COc1ccc(-n2cccn2)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000215888206 132270509 /nfs/dbraw/zinc/27/05/09/132270509.db2.gz XEJRBDWGERIUII-UHFFFAOYSA-N 1 1 350.426 1.993 50 0 FDAAMO CNc1nc(N2CCN(Cc3nonc3C)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299783066 132299613 /nfs/dbraw/zinc/29/96/13/132299613.db2.gz VUNGWDWZKVDYDQ-ZDUSSCGKSA-N 1 1 359.434 1.036 50 0 FDAAMO CCN1CCN(c2nc3ccccc3nc2N2CC[NH+](CC)CC2)CC1 ZINC000000944821 132379296 /nfs/dbraw/zinc/37/92/96/132379296.db2.gz AUBGWPVZZMQJKL-UHFFFAOYSA-N 1 1 354.502 1.914 50 0 FDAAMO Nc1cc[nH+]c(N2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1 ZINC000071752570 136140363 /nfs/dbraw/zinc/14/03/63/136140363.db2.gz CAZNNKXSVPGTAE-UHFFFAOYSA-N 1 1 351.414 1.376 50 0 FDAAMO CNc1cc(C)nc(N2CC[N@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)n1 ZINC000072411846 136145492 /nfs/dbraw/zinc/14/54/92/136145492.db2.gz ISEQGSMZXSXPOA-QGZVFWFLSA-N 1 1 371.485 1.909 50 0 FDAAMO CNc1cc(C)nc(N2CC[N@@H+](Cc3cccc(OC)c3)[C@H](CCO)C2)n1 ZINC000072411846 136145493 /nfs/dbraw/zinc/14/54/93/136145493.db2.gz ISEQGSMZXSXPOA-QGZVFWFLSA-N 1 1 371.485 1.909 50 0 FDAAMO C[NH+]1CCN(C(=O)C2CCN(c3nnc4c(Cl)cccn43)CC2)CC1 ZINC000096102179 222024206 /nfs/dbraw/zinc/02/42/06/222024206.db2.gz WQZAWTXPPGSWEQ-UHFFFAOYSA-N 1 1 362.865 1.373 50 0 FDAAMO C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000097617848 222199835 /nfs/dbraw/zinc/19/98/35/222199835.db2.gz BPSGQKPFEABNBM-UHFFFAOYSA-N 1 1 365.499 1.639 50 0 FDAAMO O=C([C@H]1CCC[N@H+](CCO)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097773271 222210624 /nfs/dbraw/zinc/21/06/24/222210624.db2.gz KOYDBOHDCBOWPR-BFSLETRISA-N 1 1 357.498 1.548 50 0 FDAAMO CNC(=O)CCc1ccccc1NC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000097776027 222212339 /nfs/dbraw/zinc/21/23/39/222212339.db2.gz DFJCWPFARFXERB-UHFFFAOYSA-N 1 1 374.485 1.694 50 0 FDAAMO O=C(C[C@H]1N[C@@H]2CCCC[C@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101330102 222269619 /nfs/dbraw/zinc/26/96/19/222269619.db2.gz ROUPVEVEXKIBOB-GUDVDZBRSA-N 1 1 370.497 1.120 50 0 FDAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(N)=O)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000107174996 222389855 /nfs/dbraw/zinc/38/98/55/222389855.db2.gz TUZPGQYZYBPBNB-WJFTUGDTSA-N 1 1 373.412 1.996 50 0 FDAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(N)=O)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000107174996 222389857 /nfs/dbraw/zinc/38/98/57/222389857.db2.gz TUZPGQYZYBPBNB-WJFTUGDTSA-N 1 1 373.412 1.996 50 0 FDAAMO Cc1cc(NC(=O)Cn2cc[nH+]c2C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000331492053 259199717 /nfs/dbraw/zinc/19/97/17/259199717.db2.gz NBEAESBRTNOGTG-ZDUSSCGKSA-N 1 1 365.459 1.510 50 0 FDAAMO CC[N@@H+](Cc1nc(=O)n(C)[nH]1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000332117754 259242696 /nfs/dbraw/zinc/24/26/96/259242696.db2.gz HPELCHMKICUGQO-UHFFFAOYSA-N 1 1 373.505 1.821 50 0 FDAAMO Cn1cc[nH+]c1N1CCC(NS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000332420653 259265647 /nfs/dbraw/zinc/26/56/47/259265647.db2.gz WINZDVROEDZAHH-UHFFFAOYSA-N 1 1 356.398 1.646 50 0 FDAAMO NCC[NH2+]CCOCCOc1ccc(I)cc1 ZINC000019772536 263376453 /nfs/dbraw/zinc/37/64/53/263376453.db2.gz LHTNVZFBDODJFQ-UHFFFAOYSA-N 1 1 350.200 1.235 50 0 FDAAMO CN1Cc2ccccc2C[C@H]1CNC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000426598805 263643106 /nfs/dbraw/zinc/64/31/06/263643106.db2.gz CQIGCUVZIARNJV-SFHVURJKSA-N 1 1 368.485 1.232 50 0 FDAAMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc2c(=O)[nH]nc1-2 ZINC000263587401 534304948 /nfs/dbraw/zinc/30/49/48/534304948.db2.gz GNDRNXYSUFZDFI-AWEZNQCLSA-N 1 1 367.409 1.695 50 0 FDAAMO Cc1nc(CCN(C)C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000286175288 534323064 /nfs/dbraw/zinc/32/30/64/534323064.db2.gz INIGESQUYZRAGA-QGZVFWFLSA-N 1 1 358.442 1.670 50 0 FDAAMO Cc1nc(CCN(C)C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000286175288 534323070 /nfs/dbraw/zinc/32/30/70/534323070.db2.gz INIGESQUYZRAGA-QGZVFWFLSA-N 1 1 358.442 1.670 50 0 FDAAMO COc1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000002093370 518237175 /nfs/dbraw/zinc/23/71/75/518237175.db2.gz MYIFTZQUOJWRIQ-BBWFWOEESA-N 1 1 370.449 1.716 50 0 biogenic FDAAMO Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NN1CC[NH+](C)CC1 ZINC000002777963 518249142 /nfs/dbraw/zinc/24/91/42/518249142.db2.gz JMTLUGIDYSXCOU-SECBINFHSA-N 1 1 353.776 1.703 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000002944205 518254545 /nfs/dbraw/zinc/25/45/45/518254545.db2.gz GNRAWKAFQIPKTA-HOTGVXAUSA-N 1 1 359.536 1.429 50 0 FDAAMO CC[NH+](CC)CCCNC[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000006052682 518362142 /nfs/dbraw/zinc/36/21/42/518362142.db2.gz USPBMBYRWRKLSG-QGZVFWFLSA-N 1 1 352.475 1.959 50 0 FDAAMO C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)n1ncn2cccc2c1=O ZINC000006799753 518386585 /nfs/dbraw/zinc/38/65/85/518386585.db2.gz XBCBZURHYPNHDR-OAHLLOKOSA-N 1 1 359.474 1.828 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)CSc2nc(C)cc(C)c21 ZINC000006802808 518386664 /nfs/dbraw/zinc/38/66/64/518386664.db2.gz YMCPJFQOFXWGOP-AWEZNQCLSA-N 1 1 362.499 1.738 50 0 FDAAMO CCCN1C(=O)N=NC1SCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000007532189 518425087 /nfs/dbraw/zinc/42/50/87/518425087.db2.gz HNTTZUNDIXZCHM-AWEZNQCLSA-N 1 1 363.487 1.905 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@H](C(=O)NCc3cn4ccccc4n3)C2)CC1 ZINC000011819209 518573532 /nfs/dbraw/zinc/57/35/32/518573532.db2.gz TUDTZTDYHXYIBS-INIZCTEOSA-N 1 1 355.486 1.757 50 0 FDAAMO CC(C)OCC[NH2+]Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000011998334 518581714 /nfs/dbraw/zinc/58/17/14/518581714.db2.gz YFXVTUTXDBELKI-GOSISDBHSA-N 1 1 368.543 1.990 50 0 FDAAMO CN1CCC([N@@H+](C)C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000012387044 518608953 /nfs/dbraw/zinc/60/89/53/518608953.db2.gz JUTVNBVWGVMJSA-HXUWFJFHSA-N 1 1 351.535 1.946 50 0 FDAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1F ZINC000012781308 518633543 /nfs/dbraw/zinc/63/35/43/518633543.db2.gz NZTAPHLHQFJOOD-UHFFFAOYSA-N 1 1 358.421 1.950 50 0 FDAAMO CCCN1C(=O)C(=O)N(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000014244841 518686557 /nfs/dbraw/zinc/68/65/57/518686557.db2.gz FWTQKRHEEXHQCJ-CQSZACIVSA-N 1 1 372.425 1.495 50 0 FDAAMO CCCN1C(=O)C(=O)N(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1=O ZINC000014244841 518686561 /nfs/dbraw/zinc/68/65/61/518686561.db2.gz FWTQKRHEEXHQCJ-CQSZACIVSA-N 1 1 372.425 1.495 50 0 FDAAMO OCC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000022816217 518913911 /nfs/dbraw/zinc/91/39/11/518913911.db2.gz DZWIVIJBVWWHHJ-UHFFFAOYSA-N 1 1 356.348 1.865 50 0 FDAAMO Cc1csc2nc(O)c(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c(=O)n12 ZINC000022852910 518917628 /nfs/dbraw/zinc/91/76/28/518917628.db2.gz USJOPVUDEIEXMJ-NSHDSACASA-N 1 1 364.471 1.764 50 0 FDAAMO Cc1cccc(CN2CCC[C@](O)(C[NH+]3CCN(CC4CC4)CC3)C2=O)c1 ZINC000022851466 518917750 /nfs/dbraw/zinc/91/77/50/518917750.db2.gz JGBLMGAAMAFCDM-QFIPXVFZSA-N 1 1 371.525 1.876 50 0 FDAAMO Cn1ncc(NC(=O)Cn2c(C[C@H]3CCC[N@@H+](C)C3)nc3ccccc32)n1 ZINC000023619600 518959383 /nfs/dbraw/zinc/95/93/83/518959383.db2.gz ISQRXNRUMLXAAE-CQSZACIVSA-N 1 1 367.457 1.688 50 0 FDAAMO C[N@@H+](CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1)[C@@H]1CCc2ccccc21 ZINC000025047705 519034737 /nfs/dbraw/zinc/03/47/37/519034737.db2.gz FSECVULYRUEAED-QGZVFWFLSA-N 1 1 366.421 1.442 50 0 FDAAMO C[NH+]1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2cccs2)CC1 ZINC000025326023 519056164 /nfs/dbraw/zinc/05/61/64/519056164.db2.gz FSOZCWUBCDJCSV-NTCAYCPXSA-N 1 1 356.451 1.688 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000027579876 519186006 /nfs/dbraw/zinc/18/60/06/519186006.db2.gz KIKAIXZOSFOIOV-SFHVURJKSA-N 1 1 360.454 1.978 50 0 FDAAMO O=C(CNC(=O)c1ccccc1F)NCC[N@H+]1CCc2ccccc2C1 ZINC000031338695 519429666 /nfs/dbraw/zinc/42/96/66/519429666.db2.gz XYOOITMOSAYQCZ-UHFFFAOYSA-N 1 1 355.413 1.730 50 0 FDAAMO CCCn1nc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)ccc1=O ZINC000032499303 519510763 /nfs/dbraw/zinc/51/07/63/519510763.db2.gz RPHZTVNZDPXRIF-UHFFFAOYSA-N 1 1 354.454 1.920 50 0 FDAAMO Cc1ccc(C)c(OCn2ccc(C(=O)NCCC[NH+]3CCOCC3)n2)c1 ZINC000032501772 519510897 /nfs/dbraw/zinc/51/08/97/519510897.db2.gz UILQVQJQYGSASP-UHFFFAOYSA-N 1 1 372.469 1.989 50 0 FDAAMO Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000033318293 519585073 /nfs/dbraw/zinc/58/50/73/519585073.db2.gz VVQYZWANRAYQMR-UHFFFAOYSA-N 1 1 359.474 1.460 50 0 FDAAMO COC(=O)COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000036356841 519619793 /nfs/dbraw/zinc/61/97/93/519619793.db2.gz LLCJLJKRDNOBGM-UHFFFAOYSA-N 1 1 372.421 1.509 50 0 FDAAMO CC(C)[N@H+]1CCN(Cc2cnc(N3CCOCC3)s2)C[C@@H]1CCO ZINC000020911321 519683111 /nfs/dbraw/zinc/68/31/11/519683111.db2.gz IGQGJDVEGQAQAM-HNNXBMFYSA-N 1 1 354.520 1.257 50 0 FDAAMO CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[NH+]1CCOCC1 ZINC000019900225 519796801 /nfs/dbraw/zinc/79/68/01/519796801.db2.gz DUKYVKPIHXPZSU-DAWZGUTISA-N 1 1 367.534 1.792 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000299801730 534450782 /nfs/dbraw/zinc/45/07/82/534450782.db2.gz QJBAIJXGYNQHQX-JTQLQIEISA-N 1 1 370.356 1.327 50 0 FDAAMO CCCOCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000082097349 520252528 /nfs/dbraw/zinc/25/25/28/520252528.db2.gz CXGJXCDPRUZXRU-GOSISDBHSA-N 1 1 367.534 1.448 50 0 FDAAMO CCOC(=O)N1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019809523 520952471 /nfs/dbraw/zinc/95/24/71/520952471.db2.gz ZOJLWVWOOJJRMD-HNNXBMFYSA-N 1 1 366.414 1.067 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000020746136 521657579 /nfs/dbraw/zinc/65/75/79/521657579.db2.gz LQPLSILSVJYFNO-LBPRGKRZSA-N 1 1 374.397 1.591 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252476768 521962514 /nfs/dbraw/zinc/96/25/14/521962514.db2.gz BAICXXCYCWAWJS-QAETUUGQSA-N 1 1 368.522 1.120 50 0 FDAAMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000252476768 521962528 /nfs/dbraw/zinc/96/25/28/521962528.db2.gz BAICXXCYCWAWJS-QAETUUGQSA-N 1 1 368.522 1.120 50 0 FDAAMO Cc1ccc(NC(=O)[C@H]2C[NH2+]CCN2C(=O)c2cc(CC(C)C)no2)cn1 ZINC000072126672 522155785 /nfs/dbraw/zinc/15/57/85/522155785.db2.gz UAICWUCHHGMZDX-MRXNPFEDSA-N 1 1 371.441 1.629 50 0 FDAAMO Cn1ncc2c1nc(-c1cccnc1)nc2NCCCN1CC[NH+](C)CC1 ZINC000072133256 522162160 /nfs/dbraw/zinc/16/21/60/522162160.db2.gz ROSARVXXJHUNKW-UHFFFAOYSA-N 1 1 366.473 1.475 50 0 FDAAMO O=C(NCc1ccccn1)[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1 ZINC000072151896 522179145 /nfs/dbraw/zinc/17/91/45/522179145.db2.gz QRFCSSNMHBFSAV-SFHVURJKSA-N 1 1 350.422 1.918 50 0 FDAAMO O=C(NCc1ccccn1)[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1 ZINC000072151896 522179157 /nfs/dbraw/zinc/17/91/57/522179157.db2.gz QRFCSSNMHBFSAV-SFHVURJKSA-N 1 1 350.422 1.918 50 0 FDAAMO CN(C)c1ncc(C[N@H+]2CCc3nnc(Cc4cccnc4)n3CC2)s1 ZINC000072166626 522193402 /nfs/dbraw/zinc/19/34/02/522193402.db2.gz HXMNDYZMDOXPDU-UHFFFAOYSA-N 1 1 369.498 1.845 50 0 FDAAMO CN(C)c1ncc(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)s1 ZINC000072166626 522193404 /nfs/dbraw/zinc/19/34/04/522193404.db2.gz HXMNDYZMDOXPDU-UHFFFAOYSA-N 1 1 369.498 1.845 50 0 FDAAMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(CC(=O)NC3CC3)C1)CC2 ZINC000072172464 522199498 /nfs/dbraw/zinc/19/94/98/522199498.db2.gz PZQZTWWEHACFJB-GOSISDBHSA-N 1 1 373.497 1.805 50 0 FDAAMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](CC(=O)NC3CC3)C1)CC2 ZINC000072172464 522199521 /nfs/dbraw/zinc/19/95/21/522199521.db2.gz PZQZTWWEHACFJB-GOSISDBHSA-N 1 1 373.497 1.805 50 0 FDAAMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](CC(=O)NC3CC3)C1)CC2 ZINC000072172464 522199528 /nfs/dbraw/zinc/19/95/28/522199528.db2.gz PZQZTWWEHACFJB-GOSISDBHSA-N 1 1 373.497 1.805 50 0 FDAAMO Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C(C)C ZINC000046140806 522233940 /nfs/dbraw/zinc/23/39/40/522233940.db2.gz XPOGVLMPFTYTQE-UHFFFAOYSA-N 1 1 353.488 1.081 50 0 FDAAMO Cc1ncc(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(=O)[nH]1 ZINC000072411426 522245882 /nfs/dbraw/zinc/24/58/82/522245882.db2.gz QFJNYLVZMMWUQX-UHFFFAOYSA-N 1 1 368.481 1.788 50 0 FDAAMO Cc1nc([C@H]2CCC[N@@H+](CCCn3cnnn3)C2)cc(N2CCCC2)n1 ZINC000072421673 522252680 /nfs/dbraw/zinc/25/26/80/522252680.db2.gz QZDFETJXVFZLON-INIZCTEOSA-N 1 1 356.478 1.641 50 0 FDAAMO CN(C)Cc1nnc([C@@H]2CCC[N@H+](C3CSCCSC3)C2)n1C ZINC000072427297 522261004 /nfs/dbraw/zinc/26/10/04/522261004.db2.gz DHWPGEYREHCAML-CYBMUJFWSA-N 1 1 355.577 1.905 50 0 FDAAMO Cc1nc(CNc2nc(C)nc3c2CC[N@@H+](C[C@@H]2CCOC2)CC3)no1 ZINC000072433549 522271903 /nfs/dbraw/zinc/27/19/03/522271903.db2.gz BBPYJDLDTFTLOE-AWEZNQCLSA-N 1 1 358.446 1.526 50 0 FDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(-n4cnnc4)c3)CC2)C[C@H](C)O1 ZINC000072435265 522274849 /nfs/dbraw/zinc/27/48/49/522274849.db2.gz JDAUFDZIZBRMFB-IYBDPMFKSA-N 1 1 369.469 1.981 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000072441535 522279308 /nfs/dbraw/zinc/27/93/08/522279308.db2.gz VNLRONMWMLTVSW-IAGOWNOFSA-N 1 1 373.563 1.819 50 0 FDAAMO O=C1CC[C@]2(CCC[N@@H+](CCCn3cnnn3)C2)CN1Cc1ccccc1 ZINC000072458684 522287791 /nfs/dbraw/zinc/28/77/91/522287791.db2.gz YAXIVUAJWCMJQD-FQEVSTJZSA-N 1 1 368.485 1.968 50 0 FDAAMO Cn1cnnc1CCNc1ncnc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000072477252 522301064 /nfs/dbraw/zinc/30/10/64/522301064.db2.gz OUSGPLUGFKPPSQ-UHFFFAOYSA-N 1 1 353.430 1.454 50 0 FDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000244858565 523021303 /nfs/dbraw/zinc/02/13/03/523021303.db2.gz VNLRONMWMLTVSW-IRXDYDNUSA-N 1 1 373.563 1.819 50 0 FDAAMO COCC[N@@H+](C)CCN1CC2(CCN(C(=O)c3ccoc3)CC2)OC1=O ZINC000077287379 523284019 /nfs/dbraw/zinc/28/40/19/523284019.db2.gz CBYADGXJUQOTNX-UHFFFAOYSA-N 1 1 365.430 1.285 50 0 FDAAMO Cc1cn2c(nc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)cc2=O)s1 ZINC000077301877 523289235 /nfs/dbraw/zinc/28/92/35/523289235.db2.gz MWQZOJLJEGLPJY-INIZCTEOSA-N 1 1 362.499 1.751 50 0 FDAAMO Cc1cn2c(nc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)cc2=O)s1 ZINC000077301877 523289242 /nfs/dbraw/zinc/28/92/42/523289242.db2.gz MWQZOJLJEGLPJY-INIZCTEOSA-N 1 1 362.499 1.751 50 0 FDAAMO Cc1cn2c(nc(CN3CCCC[C@H]3C[NH+]3CCOCC3)cc2=O)s1 ZINC000077301877 523289252 /nfs/dbraw/zinc/28/92/52/523289252.db2.gz MWQZOJLJEGLPJY-INIZCTEOSA-N 1 1 362.499 1.751 50 0 FDAAMO CCn1cc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 ZINC000082133939 523371309 /nfs/dbraw/zinc/37/13/09/523371309.db2.gz YJJGYLURVOJIFU-UHFFFAOYSA-N 1 1 356.474 1.922 50 0 FDAAMO CCn1cc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)cn1 ZINC000082133939 523371319 /nfs/dbraw/zinc/37/13/19/523371319.db2.gz YJJGYLURVOJIFU-UHFFFAOYSA-N 1 1 356.474 1.922 50 0 FDAAMO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CCOCC)CC1 ZINC000077535774 523375361 /nfs/dbraw/zinc/37/53/61/523375361.db2.gz WGWYVOHMFMRDGX-UHFFFAOYSA-N 1 1 360.458 1.534 50 0 FDAAMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000054510467 523651977 /nfs/dbraw/zinc/65/19/77/523651977.db2.gz VZNRNIJTUBGNFB-KRWDZBQOSA-N 1 1 358.486 1.886 50 0 FDAAMO Cc1[nH]ncc1C[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000111394512 524278870 /nfs/dbraw/zinc/27/88/70/524278870.db2.gz XKPSOFCGMVEVDT-SFHVURJKSA-N 1 1 356.426 1.639 50 0 FDAAMO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000085868306 524371536 /nfs/dbraw/zinc/37/15/36/524371536.db2.gz FAYMZHLDZWDFPW-AWEZNQCLSA-N 1 1 373.469 1.758 50 0 FDAAMO Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)cc1 ZINC000020725038 524428553 /nfs/dbraw/zinc/42/85/53/524428553.db2.gz SQLMNSJIGQAFNW-IBGZPJMESA-N 1 1 372.513 1.240 50 0 FDAAMO COc1ccccc1OCC[N@H+]1C[C@H](NS(C)(=O)=O)[C@@H](C2CC2)C1 ZINC000091486696 524674621 /nfs/dbraw/zinc/67/46/21/524674621.db2.gz ZNWDUQJDRDVPAE-CABCVRRESA-N 1 1 354.472 1.334 50 0 FDAAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000091270231 524686737 /nfs/dbraw/zinc/68/67/37/524686737.db2.gz GGUNIZBIBUEFLB-LJQANCHMSA-N 1 1 362.493 1.890 50 0 FDAAMO CN(CCC(=O)N1CCCN(c2ccc(F)cc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000091270231 524686747 /nfs/dbraw/zinc/68/67/47/524686747.db2.gz GGUNIZBIBUEFLB-LJQANCHMSA-N 1 1 362.493 1.890 50 0 FDAAMO CN(CCC(=O)N1CCCN(c2ccc(F)cc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000091270231 524686753 /nfs/dbraw/zinc/68/67/53/524686753.db2.gz GGUNIZBIBUEFLB-LJQANCHMSA-N 1 1 362.493 1.890 50 0 FDAAMO CN1CC[C@]2(CN(S(=O)(=O)c3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091288750 524688637 /nfs/dbraw/zinc/68/86/37/524688637.db2.gz ISOQUTDRAOUJSJ-KRWDZBQOSA-N 1 1 351.472 1.004 50 0 FDAAMO CN1CC[C@]2(CN(S(=O)(=O)c3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091288750 524688648 /nfs/dbraw/zinc/68/86/48/524688648.db2.gz ISOQUTDRAOUJSJ-KRWDZBQOSA-N 1 1 351.472 1.004 50 0 FDAAMO CCN1CC[C@]2(CN(C(=O)CCc3ccncc3)CC[N@H+]2C)CCC1=O ZINC000091593940 524735704 /nfs/dbraw/zinc/73/57/04/524735704.db2.gz SENWPZLYVZENPP-FQEVSTJZSA-N 1 1 358.486 1.559 50 0 FDAAMO O=C(c1ccc(F)c(F)c1)N1C[C@@H](CO)C[C@H](C[NH+]2CCOCC2)C1 ZINC000091663407 524758108 /nfs/dbraw/zinc/75/81/08/524758108.db2.gz JNSJMTIAEYRERR-KGLIPLIRSA-N 1 1 354.397 1.368 50 0 FDAAMO O=C(c1ccccc1-n1cncn1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000091707559 524764432 /nfs/dbraw/zinc/76/44/32/524764432.db2.gz POHLWSMFGVLQBU-KRWDZBQOSA-N 1 1 369.469 1.984 50 0 FDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCn1c3ccccc3[nH]c1=O)C2 ZINC000091768788 524780267 /nfs/dbraw/zinc/78/02/67/524780267.db2.gz RVBSKVBANDSYDR-HZPDHXFCSA-N 1 1 372.469 1.289 50 0 FDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(Cl)cc2O)C1 ZINC000091808214 524788942 /nfs/dbraw/zinc/78/89/42/524788942.db2.gz LNSBVHQAQSCPGB-KGLIPLIRSA-N 1 1 370.877 1.694 50 0 FDAAMO C[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3cccc4nonc43)C[C@@H]2CO)C[C@H](C)O1 ZINC000091872449 524803562 /nfs/dbraw/zinc/80/35/62/524803562.db2.gz KPPFXIPNVDDWBR-YALNPMBYSA-N 1 1 360.458 1.372 50 0 FDAAMO Cc1nc(C)c(C(=O)N2C[C@@H](CO)C[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000091894031 524805034 /nfs/dbraw/zinc/80/50/34/524805034.db2.gz WLIPAGQTXDVBAP-CABCVRRESA-N 1 1 353.488 1.163 50 0 FDAAMO Cc1ccsc1C[N@@H+]1CC[C@@]2(O)CCN(S(=O)(=O)N(C)C)C[C@H]2C1 ZINC000091974225 524824270 /nfs/dbraw/zinc/82/42/70/524824270.db2.gz VASRRHWDKWXVRO-GDBMZVCRSA-N 1 1 373.544 1.122 50 0 FDAAMO CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1cncn1)CC2 ZINC000092003078 524829091 /nfs/dbraw/zinc/82/90/91/524829091.db2.gz CQXBMCFNAQCDOP-UHFFFAOYSA-N 1 1 371.489 1.423 50 0 FDAAMO C[N@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ncccc2O)CC3)C1 ZINC000092028863 524830013 /nfs/dbraw/zinc/83/00/13/524830013.db2.gz PKQBINUONWDFSR-OAHLLOKOSA-N 1 1 372.469 1.336 50 0 FDAAMO Cc1cc2c(cc1C[N@H+]1C[C@H](NS(C)(=O)=O)[C@@H](C3CC3)C1)OCO2 ZINC000092062361 524837054 /nfs/dbraw/zinc/83/70/54/524837054.db2.gz FOOAUXRWACDQSK-CABCVRRESA-N 1 1 352.456 1.483 50 0 FDAAMO O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000092081242 524847411 /nfs/dbraw/zinc/84/74/11/524847411.db2.gz BJFMJDJOQQAMQV-RBUKOAKNSA-N 1 1 351.450 1.971 50 0 FDAAMO Cc1ccc([C@H](C(=O)N2CCC3(CC2)CC(=O)NC(=O)C3)[NH+](C)C)cc1 ZINC000095360218 525033695 /nfs/dbraw/zinc/03/36/95/525033695.db2.gz FRJXUPXMHLEMCJ-GOSISDBHSA-N 1 1 357.454 1.643 50 0 FDAAMO Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(C(=O)c3ccc[nH]3)C2)n1C ZINC000095379573 525053178 /nfs/dbraw/zinc/05/31/78/525053178.db2.gz IXMVIKQUKMLQCX-AWEZNQCLSA-N 1 1 353.430 1.716 50 0 FDAAMO O=C(c1ccc[nH]1)N1CCN(C(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000095391759 525064584 /nfs/dbraw/zinc/06/45/84/525064584.db2.gz LIDJIMWBMCMWAH-INIZCTEOSA-N 1 1 358.486 1.954 50 0 FDAAMO NC(=O)CN1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095502365 525085759 /nfs/dbraw/zinc/08/57/59/525085759.db2.gz HBXDHMXEACBJSE-LJQANCHMSA-N 1 1 372.513 1.355 50 0 FDAAMO NC(=O)CN1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095502365 525085773 /nfs/dbraw/zinc/08/57/73/525085773.db2.gz HBXDHMXEACBJSE-LJQANCHMSA-N 1 1 372.513 1.355 50 0 FDAAMO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)c1 ZINC000095508675 525089851 /nfs/dbraw/zinc/08/98/51/525089851.db2.gz MEERJLIBZPSTDC-GJZGRUSLSA-N 1 1 368.865 1.929 50 0 FDAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cnc[nH]c1=O ZINC000095510211 525093318 /nfs/dbraw/zinc/09/33/18/525093318.db2.gz UZUXZTVETZJBED-MRXNPFEDSA-N 1 1 372.444 1.936 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1snnc1C)CC2 ZINC000095519157 525096780 /nfs/dbraw/zinc/09/67/80/525096780.db2.gz IHQLTKCXMSXWSW-UHFFFAOYSA-N 1 1 360.487 1.969 50 0 FDAAMO CC(C)[NH+]1CCC(CC(=O)N2CCc3n[nH]c(C(=O)N(C)C)c3C2)CC1 ZINC000095520001 525099608 /nfs/dbraw/zinc/09/96/08/525099608.db2.gz YNPGRFLHPWLPRE-UHFFFAOYSA-N 1 1 361.490 1.507 50 0 FDAAMO COc1ccc([C@@H]2C[N@H+](C3CCN(C(C)=O)CC3)C[C@H]2NC(C)=O)cc1 ZINC000095527568 525103862 /nfs/dbraw/zinc/10/38/62/525103862.db2.gz STMPKCGHKNEXAO-VQTJNVASSA-N 1 1 359.470 1.610 50 0 FDAAMO O=c1[nH]c(NCCC[NH+]2CCOCC2)nc2c1Cc1ccccc1OC2 ZINC000095529656 525105222 /nfs/dbraw/zinc/10/52/22/525105222.db2.gz OISUHAKCXIRYNJ-UHFFFAOYSA-N 1 1 356.426 1.387 50 0 FDAAMO Cc1cc(NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc(-c2ccccc2O)n1 ZINC000091643977 525269777 /nfs/dbraw/zinc/26/97/77/525269777.db2.gz OAGNUMYGJUTWFI-CQSZACIVSA-N 1 1 355.442 1.767 50 0 FDAAMO Cc1cc(NCC[N@H+]2CCC[C@@H](C(N)=O)C2)nc(-c2ccccc2O)n1 ZINC000091643977 525269790 /nfs/dbraw/zinc/26/97/90/525269790.db2.gz OAGNUMYGJUTWFI-CQSZACIVSA-N 1 1 355.442 1.767 50 0 FDAAMO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(=O)N1c1ccccc1 ZINC000245675800 525432025 /nfs/dbraw/zinc/43/20/25/525432025.db2.gz HEWLOBAUKYCMNA-AYOQOUSVSA-N 1 1 371.481 1.940 50 0 FDAAMO COc1cccc(CO[C@H](C)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000170605640 525641211 /nfs/dbraw/zinc/64/12/11/525641211.db2.gz JJZSFMWOGRFWCI-JKSUJKDBSA-N 1 1 350.459 1.515 50 0 FDAAMO Cc1nnnn1-c1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000170613341 525644516 /nfs/dbraw/zinc/64/45/16/525644516.db2.gz AXIKWPVEHAWWTN-WMZOPIPTSA-N 1 1 354.458 1.965 50 0 FDAAMO O=C(CCn1cnnc1)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082125603 526687837 /nfs/dbraw/zinc/68/78/37/526687837.db2.gz LGZLABOKSXCBKT-UHFFFAOYSA-N 1 1 371.489 1.720 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](c2nccn2Cc2ccccc2)C1)N1CCOCC1 ZINC000082115892 526752679 /nfs/dbraw/zinc/75/26/79/526752679.db2.gz VKUHFAPYNBAPDY-LJQANCHMSA-N 1 1 368.481 1.970 50 0 FDAAMO Cn1nc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)ccc1=O ZINC000082136749 527544504 /nfs/dbraw/zinc/54/45/04/527544504.db2.gz NEQVPCHYSIWRLN-UHFFFAOYSA-N 1 1 370.457 1.055 50 0 FDAAMO Nc1ncccc1C[N@H+]1CCC[C@H](Cn2cc(C3(O)CCCC3)nn2)C1 ZINC000020726093 527568306 /nfs/dbraw/zinc/56/83/06/527568306.db2.gz RRYWWBAQVHYQGL-HNNXBMFYSA-N 1 1 356.474 1.929 50 0 FDAAMO CC(C)NC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2C[C@@H](CO)[N@@H+](C)C2)c1 ZINC000299767064 527722061 /nfs/dbraw/zinc/72/20/61/527722061.db2.gz DMKUMJJACYVKJT-OLZOCXBDSA-N 1 1 368.865 1.665 50 0 FDAAMO CC(C)[N@H+]1CCO[C@@H](CC(=O)N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000077419057 535212798 /nfs/dbraw/zinc/21/27/98/535212798.db2.gz QJHXLYDALJXVEI-INIZCTEOSA-N 1 1 366.893 1.883 50 0 FDAAMO C[NH+](C)[C@@H](C(=O)N1CCN(c2cccnc2)CC1)c1ccc2c(c1)OCO2 ZINC000220654156 536120126 /nfs/dbraw/zinc/12/01/26/536120126.db2.gz JMMBVAMJKXYFQT-LJQANCHMSA-N 1 1 368.437 1.762 50 0 FDAAMO O=C(NCC[NH+]1CCC(O)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000206609599 537430708 /nfs/dbraw/zinc/43/07/08/537430708.db2.gz FCJUDWACSBRPOA-UHFFFAOYSA-N 1 1 359.348 1.217 50 0 FDAAMO COc1ccc2[nH]c(=O)c(C[NH+]3CCN(Cc4nccn4C)CC3)cc2c1 ZINC000216413282 537449038 /nfs/dbraw/zinc/44/90/38/537449038.db2.gz JBQDWSXRLNIGTO-UHFFFAOYSA-N 1 1 367.453 1.588 50 0 FDAAMO CN1CCN(Cc2ccc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000219774813 537478771 /nfs/dbraw/zinc/47/87/71/537478771.db2.gz VNUKMBOLEABURJ-FQEVSTJZSA-N 1 1 358.530 1.990 50 0 FDAAMO O=C(CC1=CSC2=NCCN12)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000223206143 537520683 /nfs/dbraw/zinc/52/06/83/537520683.db2.gz SAUWCQNJAOIMDG-OAHLLOKOSA-N 1 1 357.483 1.812 50 0 FDAAMO O=C(CC1=CSC2=NCCN12)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000223206143 537520689 /nfs/dbraw/zinc/52/06/89/537520689.db2.gz SAUWCQNJAOIMDG-OAHLLOKOSA-N 1 1 357.483 1.812 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cc1 ZINC000244594112 537647821 /nfs/dbraw/zinc/64/78/21/537647821.db2.gz DGMBMGLAKXBAKU-IMFGXOCKSA-N 1 1 356.470 1.789 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)cc1 ZINC000244594112 537647825 /nfs/dbraw/zinc/64/78/25/537647825.db2.gz DGMBMGLAKXBAKU-IMFGXOCKSA-N 1 1 356.470 1.789 50 0 FDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1cn(C)c2ccc(C)cc2c1=O ZINC000244763944 537652564 /nfs/dbraw/zinc/65/25/64/537652564.db2.gz OYGKCXJBFSNUKL-WMZOPIPTSA-N 1 1 357.454 1.684 50 0 FDAAMO C[NH+]1CCN(CCC(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)CC1 ZINC000244873212 537654275 /nfs/dbraw/zinc/65/42/75/537654275.db2.gz WLYOJBAHNGRLFC-UEXGIBASSA-N 1 1 373.497 1.187 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000426699910 538123527 /nfs/dbraw/zinc/12/35/27/538123527.db2.gz JSMMMLTVJGIRQA-ZDUSSCGKSA-N 1 1 356.426 1.922 50 0 FDAAMO O=C(Cn1cnc(C2CC2)cc1=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256872 555600080 /nfs/dbraw/zinc/60/00/80/555600080.db2.gz NJSWTIIDGOMKJO-HNNXBMFYSA-N 1 1 358.467 1.573 50 0 FDAAMO C[C@H]1C[N@H+](Cc2cnc([N-]S(=O)(=O)c3ccccc3)nc2)CCCO1 ZINC000215077053 568049298 /nfs/dbraw/zinc/04/92/98/568049298.db2.gz SODKRCDNPLGADD-AWEZNQCLSA-N 1 1 362.455 1.888 50 0 FDAAMO CO[C@]12CC[N@@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)[C@H]1C[C@H](O)CC2 ZINC000426489732 570607753 /nfs/dbraw/zinc/60/77/53/570607753.db2.gz XVMRVNCUNQWSRQ-SLYNCCJLSA-N 1 1 371.481 1.989 50 0 FDAAMO Cc1cccc(Cl)c1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000416391715 570842379 /nfs/dbraw/zinc/84/23/79/570842379.db2.gz SWMPHPIBDOYULL-ZDUSSCGKSA-N 1 1 373.906 1.514 50 0 FDAAMO CNc1nc(N2CCC(CC(=O)NCCc3ccccn3)CC2)cc[nH+]1 ZINC000065282162 570866096 /nfs/dbraw/zinc/86/60/96/570866096.db2.gz OVOKPYULUJZGNJ-UHFFFAOYSA-N 1 1 354.458 1.879 50 0 FDAAMO C[C@H](C(=O)NC1CC[NH+](C2CC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000047246480 570883784 /nfs/dbraw/zinc/88/37/84/570883784.db2.gz DWDDHPSCPBWMSB-GFCCVEGCSA-N 1 1 354.447 1.731 50 0 FDAAMO CN1CC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)C1=O ZINC000685941157 571100429 /nfs/dbraw/zinc/10/04/29/571100429.db2.gz TUZYGLCYVFWTJF-UGSOOPFHSA-N 1 1 359.430 1.195 50 0 FDAAMO CCn1c(CN2CCN(CCc3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243919525 571113006 /nfs/dbraw/zinc/11/30/06/571113006.db2.gz BONLLOKJDYGGRX-KDURUIRLSA-N 1 1 368.529 1.863 50 0 FDAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2)n1 ZINC000244716047 571115142 /nfs/dbraw/zinc/11/51/42/571115142.db2.gz LHHZBYCTWMIPJP-OAHLLOKOSA-N 1 1 368.441 1.945 50 0 FDAAMO CN(Cc1nc2ccccc2[nH]1)c1cc([C@H]2CCOC2)[nH+]c(NCCO)n1 ZINC000426513570 571128882 /nfs/dbraw/zinc/12/88/82/571128882.db2.gz GGMRKTGPMDLNRF-ZDUSSCGKSA-N 1 1 368.441 1.897 50 0 FDAAMO O=S(=O)(N1CCCCC1)N1CCC[N@@H+](CCOc2ccccc2)CC1 ZINC000252485525 571132236 /nfs/dbraw/zinc/13/22/36/571132236.db2.gz GXQWKIICMUFJGS-UHFFFAOYSA-N 1 1 367.515 1.804 50 0 FDAAMO COc1cc(C)ccc1OCC[N@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000252490563 571133000 /nfs/dbraw/zinc/13/30/00/571133000.db2.gz KWXQIEQAYRMMMT-OAHLLOKOSA-N 1 1 360.458 1.883 50 0 FDAAMO Cc1[nH+]c(N)ccc1-c1cccc(C(=O)N(CCO)Cc2nccn2C)c1 ZINC000426584516 571137662 /nfs/dbraw/zinc/13/76/62/571137662.db2.gz AFENJTBOOCIWSP-UHFFFAOYSA-N 1 1 365.437 2.007 50 0 FDAAMO Cc1cc(=O)n(CC[NH+]2CCN(c3nsc4ccccc43)CC2)c(=O)[nH]1 ZINC000253537140 571138138 /nfs/dbraw/zinc/13/81/38/571138138.db2.gz ZGQNZKLFJSMGNV-UHFFFAOYSA-N 1 1 371.466 1.689 50 0 FDAAMO Nc1nc(N2CCC(OCc3ccccn3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426420484 571138544 /nfs/dbraw/zinc/13/85/44/571138544.db2.gz VSTZBKQIDSPUSU-CQSZACIVSA-N 1 1 355.442 2.143 50 0 FDAAMO Nc1nc(NCCCc2nc3cc(F)ccc3[nH]2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426658278 571138588 /nfs/dbraw/zinc/13/85/88/571138588.db2.gz HIOMVGMSXGPPEZ-LLVKDONJSA-N 1 1 356.405 2.045 50 0 FDAAMO Nc1nc(NCc2cnn(-c3cccc(F)c3)c2)cc([C@H]2CCOC2)[nH+]1 ZINC000426572989 571138697 /nfs/dbraw/zinc/13/86/97/571138697.db2.gz BBWFOBSKPJJCPP-ZDUSSCGKSA-N 1 1 354.389 1.922 50 0 FDAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000299796681 571202181 /nfs/dbraw/zinc/20/21/81/571202181.db2.gz OGDGFSYABWSNJV-CQSZACIVSA-N 1 1 356.430 1.191 50 0 FDAAMO CN1CC[NH+](CC(C)(C)NC(=O)N2CCC(O)(c3ccccc3)CC2)CC1 ZINC000426359079 571214827 /nfs/dbraw/zinc/21/48/27/571214827.db2.gz OIIMIUWCKFEQSE-UHFFFAOYSA-N 1 1 374.529 1.706 50 0 FDAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CCOCCO)C3)C2=O)c1 ZINC000426428398 571224095 /nfs/dbraw/zinc/22/40/95/571224095.db2.gz UCJMADPNUHWWRQ-HXUWFJFHSA-N 1 1 362.470 1.519 50 0 FDAAMO Cc1nc(N(C)C)ncc1C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426490747 571227992 /nfs/dbraw/zinc/22/79/92/571227992.db2.gz RYCHZGQPFXTLGW-UHFFFAOYSA-N 1 1 365.481 1.776 50 0 FDAAMO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000426574875 571231973 /nfs/dbraw/zinc/23/19/73/571231973.db2.gz XWRTXLBWJMHIOG-AWEZNQCLSA-N 1 1 363.437 1.690 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000426574875 571231975 /nfs/dbraw/zinc/23/19/75/571231975.db2.gz XWRTXLBWJMHIOG-AWEZNQCLSA-N 1 1 363.437 1.690 50 0 FDAAMO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000426574875 571231977 /nfs/dbraw/zinc/23/19/77/571231977.db2.gz XWRTXLBWJMHIOG-AWEZNQCLSA-N 1 1 363.437 1.690 50 0 FDAAMO Cc1cc(=O)c(C(=O)NCC2CCN(C3CC[NH+](C)CC3)CC2)cn1C ZINC000426719835 571236574 /nfs/dbraw/zinc/23/65/74/571236574.db2.gz JJCBRHKKGQTCSG-UHFFFAOYSA-N 1 1 360.502 1.230 50 0 FDAAMO C[NH+]1CCN([C@H]2CN(C(=O)NCc3ccc(C(C)(C)C)cc3)C[C@@H]2O)CC1 ZINC000670465039 571358422 /nfs/dbraw/zinc/35/84/22/571358422.db2.gz FOVGKGCJHLNTDU-OALUTQOASA-N 1 1 374.529 1.486 50 0 FDAAMO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@H+]1C1CCSCC1 ZINC000012054077 670610301 /nfs/dbraw/zinc/61/03/01/670610301.db2.gz NRARPEPUJHZOID-MRXNPFEDSA-N 1 1 358.471 1.961 50 0 FDAAMO Cc1ccc(C[N@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@H](O)C2)s1 ZINC000014542231 670625550 /nfs/dbraw/zinc/62/55/50/670625550.db2.gz ZGOOEISWJBVCMM-OAHLLOKOSA-N 1 1 365.499 1.074 50 0 FDAAMO Cc1ccc(C[N@@H+]2CC(=O)N(CCCN3CCCC3=O)C[C@H](O)C2)s1 ZINC000014542231 670625551 /nfs/dbraw/zinc/62/55/51/670625551.db2.gz ZGOOEISWJBVCMM-OAHLLOKOSA-N 1 1 365.499 1.074 50 0 FDAAMO O[C@H]1C[N@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1N1CCOCC1 ZINC000019792799 670668967 /nfs/dbraw/zinc/66/89/67/670668967.db2.gz IJJQVNIQMQJCKU-ROUUACIJSA-N 1 1 362.861 1.403 50 0 FDAAMO O[C@H]1C[N@@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C[C@@H]1N1CCOCC1 ZINC000019792799 670668974 /nfs/dbraw/zinc/66/89/74/670668974.db2.gz IJJQVNIQMQJCKU-ROUUACIJSA-N 1 1 362.861 1.403 50 0 FDAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000023373063 670704970 /nfs/dbraw/zinc/70/49/70/670704970.db2.gz SQPFFPNLMGEBQN-SFHVURJKSA-N 1 1 350.551 1.927 50 0 FDAAMO CCN1CCN(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000023373063 670704976 /nfs/dbraw/zinc/70/49/76/670704976.db2.gz SQPFFPNLMGEBQN-SFHVURJKSA-N 1 1 350.551 1.927 50 0 FDAAMO COc1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1OCCCn1ccnc1 ZINC000077538316 777689675 /nfs/dbraw/zinc/68/96/75/777689675.db2.gz VTUHFHJKAHBXDL-QGZVFWFLSA-N 1 1 361.442 1.554 50 0 FDAAMO COc1cccc(C[N@H+]2CCOC[C@H](O)C2)c1OCCCn1ccnc1 ZINC000077538316 777689685 /nfs/dbraw/zinc/68/96/85/777689685.db2.gz VTUHFHJKAHBXDL-QGZVFWFLSA-N 1 1 361.442 1.554 50 0 FDAAMO Cc1cc(N2CCC([NH2+]CCCn3cncn3)CC2)nc(N2CCCC2)n1 ZINC000095503477 784387559 /nfs/dbraw/zinc/38/75/59/784387559.db2.gz FVGJGSSYXQQLMB-UHFFFAOYSA-N 1 1 370.505 1.625 50 0 FDAAMO CCOC(=O)N1CC[NH+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000023281389 785109465 /nfs/dbraw/zinc/10/94/65/785109465.db2.gz KUOQPKJOTIHXAW-UHFFFAOYSA-N 1 1 358.442 1.759 50 0 FDAAMO C[NH+]1CCN(CCOc2ccccc2C[N@H+]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000244858410 805761391 /nfs/dbraw/zinc/76/13/91/805761391.db2.gz VKSOPPXVYBJQMI-SFHVURJKSA-N 1 1 361.486 1.752 50 0 FDAAMO CN1CC[NH+](CCOc2ccccc2C[N@@H+]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000244858410 805761419 /nfs/dbraw/zinc/76/14/19/805761419.db2.gz VKSOPPXVYBJQMI-SFHVURJKSA-N 1 1 361.486 1.752 50 0 FDAAMO CN1CC[NH+](CCOc2ccccc2C[N@H+]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000244858410 805761425 /nfs/dbraw/zinc/76/14/25/805761425.db2.gz VKSOPPXVYBJQMI-SFHVURJKSA-N 1 1 361.486 1.752 50 0 FDAAMO O=C(N[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1CO)C1CCC1 ZINC000257176572 793835980 /nfs/dbraw/zinc/83/59/80/793835980.db2.gz ANQBXFQEMPXSJK-ZWKOTPCHSA-N 1 1 354.454 1.786 50 0 FDAAMO COCC(=O)N[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(OC)cc23)CC[C@@H]1CO ZINC000257193456 794039909 /nfs/dbraw/zinc/03/99/09/794039909.db2.gz RQLJIHWHOKBMLV-FZKQIMNGSA-N 1 1 361.442 1.122 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)C1CC=CC1)CC2 ZINC000581803448 794247410 /nfs/dbraw/zinc/24/74/10/794247410.db2.gz YRYUHGHEYRJCSH-QGZVFWFLSA-N 1 1 361.486 1.124 50 0 FDAAMO CCN(Cc1cnn(CC)c1)C(=O)[C@@H]1Cc2nc[nH]c2C2(CCCC2)[NH2+]1 ZINC000675013533 795219188 /nfs/dbraw/zinc/21/91/88/795219188.db2.gz HNVAVYBYFTZECA-INIZCTEOSA-N 1 1 356.474 1.958 50 0 FDAAMO O=C([C@H]1CCC[N@@H+](Cc2cccnc2)CCC(=O)NCC1)N1CCOCC1 ZINC000257182322 864471074 /nfs/dbraw/zinc/47/10/74/864471074.db2.gz OYNWALZQHDVLCB-SFHVURJKSA-N 1 1 374.485 1.049 50 0 FDAAMO O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](n2cnnn2)C[N@H+]1C1CCCC1 ZINC000011868868 871910071 /nfs/dbraw/zinc/91/00/71/871910071.db2.gz WPRZCADTBSPBMV-ROUUACIJSA-N 1 1 372.448 1.729 50 0 FDAAMO C/C=C(\C)C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000011996313 873053901 /nfs/dbraw/zinc/05/39/01/873053901.db2.gz WZQMQCJYCAIAKA-XUYKZZHDSA-N 1 1 361.490 1.706 50 0 FDAAMO COCCN1CCC[C@](O)(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)C1=O ZINC000012112337 873836167 /nfs/dbraw/zinc/83/61/67/873836167.db2.gz ZMXQVMDUESXPKB-NRFANRHFSA-N 1 1 371.481 1.834 50 0 FDAAMO O=C(CCCn1cncn1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011704064 892717728 /nfs/dbraw/zinc/71/77/28/892717728.db2.gz SEXNPGODYQIZKB-GOSISDBHSA-N 1 1 353.470 1.806 50 0 FDAAMO C[N@@H+]1CC[C@@H](C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1 ZINC000823755001 922037311 /nfs/dbraw/zinc/03/73/11/922037311.db2.gz POOHCGXCGZRSEW-QGZVFWFLSA-N 1 1 358.486 1.227 50 0 FDAAMO C[N@H+]1CC[C@@H](C(=O)N2CCOC3(CCN(Cc4ccccn4)CC3)C2)C1 ZINC000823755001 922037329 /nfs/dbraw/zinc/03/73/29/922037329.db2.gz POOHCGXCGZRSEW-QGZVFWFLSA-N 1 1 358.486 1.227 50 0 FDAAMO Cc1nnsc1C(=O)N1CCC2(CC1)C[N@@H+](C[C@H]1CCOC1)CCO2 ZINC000828234686 924861793 /nfs/dbraw/zinc/86/17/93/924861793.db2.gz DFXYEKIEHIOMTB-CQSZACIVSA-N 1 1 366.487 1.190 50 0 FDAAMO CO[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCOCC2 ZINC000581802858 927588210 /nfs/dbraw/zinc/58/82/10/927588210.db2.gz QSDPBFSVWCTQPZ-QGZVFWFLSA-N 1 1 362.474 1.213 50 0 FDAAMO C[N@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1ccncc1)CC2 ZINC000581802677 927588531 /nfs/dbraw/zinc/58/85/31/927588531.db2.gz MPZVBTHJUWEOJS-GOSISDBHSA-N 1 1 358.486 1.340 50 0 FDAAMO Cc1noc(C)c1S(=O)(=O)N1CCC2(CC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000581803959 927599626 /nfs/dbraw/zinc/59/96/26/927599626.db2.gz XNVDEXKGDMLRPU-HNNXBMFYSA-N 1 1 369.487 1.557 50 0 FDAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCn3nccc32)C1)Nc1ccccc1 ZINC000585082140 943792476 /nfs/dbraw/zinc/79/24/76/943792476.db2.gz NKKXIYADSJSQPL-OAHLLOKOSA-N 1 1 353.426 1.580 50 0 FDAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCn3nccc32)C1)Nc1ccccc1 ZINC000585082140 943792485 /nfs/dbraw/zinc/79/24/85/943792485.db2.gz NKKXIYADSJSQPL-OAHLLOKOSA-N 1 1 353.426 1.580 50 0 FDAAMO CC1(C[N@H+]2CCCN(S(=O)(=O)N3CCCCC3)CC2)CCOCC1 ZINC000952860206 960185403 /nfs/dbraw/zinc/18/54/03/960185403.db2.gz HQZXLYXUZLFEHG-UHFFFAOYSA-N 1 1 359.536 1.542 50 0 FDAAMO Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)c1ccncc1 ZINC000952869771 960213472 /nfs/dbraw/zinc/21/34/72/960213472.db2.gz OBEVJODPGXNZLZ-XLIONFOSSA-N 1 1 366.465 1.793 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CC(N(C)C[C@H](C)[NH+]3CCOCC3)C2)cc1 ZINC000952870100 960216057 /nfs/dbraw/zinc/21/60/57/960216057.db2.gz UUVOGHVZDSCEQN-INIZCTEOSA-N 1 1 367.515 1.020 50 0 FDAAMO CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000952964778 960249024 /nfs/dbraw/zinc/24/90/24/960249024.db2.gz QJUUULXFQONQHK-KGLIPLIRSA-N 1 1 363.462 1.444 50 0 FDAAMO CC(C)c1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000952964778 960249030 /nfs/dbraw/zinc/24/90/30/960249030.db2.gz QJUUULXFQONQHK-KGLIPLIRSA-N 1 1 363.462 1.444 50 0 FDAAMO CCN1CCNC(=O)[C@H]1CC(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000952984867 960303064 /nfs/dbraw/zinc/30/30/64/960303064.db2.gz TXTKPISPKLIZNC-QGZVFWFLSA-N 1 1 355.442 1.389 50 0 FDAAMO CN(C)C1=NC2(CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)C(=O)N1 ZINC000215127468 222642412 /nfs/dbraw/zinc/64/24/12/222642412.db2.gz GSJIJYOJPZECTA-UHFFFAOYSA-N 1 1 370.501 1.906 50 0 FDAAMO O=C(CC[NH+]1CCOCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223098335 222764530 /nfs/dbraw/zinc/76/45/30/222764530.db2.gz UYMAKOOTUUPQQT-IAYYMHMVSA-N 1 1 369.465 1.885 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21c2cc(F)ccc2NC1=O ZINC000227069167 222889376 /nfs/dbraw/zinc/88/93/76/222889376.db2.gz XWLQFAKSDIEBEW-SANUXOLBSA-N 1 1 371.412 1.851 50 0 FDAAMO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2cc(F)ccc2NC1=O ZINC000227069167 222889380 /nfs/dbraw/zinc/88/93/80/222889380.db2.gz XWLQFAKSDIEBEW-SANUXOLBSA-N 1 1 371.412 1.851 50 0 FDAAMO O=C(NCC1(C[NH+]2CCOCC2)CC1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000534583339 540384960 /nfs/dbraw/zinc/38/49/60/540384960.db2.gz PWVZWKPYQHLIKC-GOSISDBHSA-N 1 1 359.470 1.962 50 0 FDAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccnc3)CC2)C1 ZINC000534589107 540386883 /nfs/dbraw/zinc/38/68/83/540386883.db2.gz FORWKCGJKBUYBN-KRWDZBQOSA-N 1 1 361.490 1.272 50 0 FDAAMO CCn1nc(CO)c2c1CC[N@@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756777 223081669 /nfs/dbraw/zinc/08/16/69/223081669.db2.gz FMFSKBKGHPYUSV-OAHLLOKOSA-N 1 1 354.454 1.807 50 0 FDAAMO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000299786412 223096923 /nfs/dbraw/zinc/09/69/23/223096923.db2.gz KGZOIJODPQLFFR-UHFFFAOYSA-N 1 1 351.472 1.935 50 0 FDAAMO Cc1cc(C(N)=O)ccc1NC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000299801869 223105238 /nfs/dbraw/zinc/10/52/38/223105238.db2.gz ZVCNZXDAPDNKMJ-MRXNPFEDSA-N 1 1 373.501 1.585 50 0 FDAAMO COc1cc(OC)c(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c(OC)c1 ZINC000299789767 223098383 /nfs/dbraw/zinc/09/83/83/223098383.db2.gz ASHAEPRGSIUHIB-HOTGVXAUSA-N 1 1 360.414 1.650 50 0 FDAAMO COc1cc(OC)c(C[N@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)c(OC)c1 ZINC000299789767 223098384 /nfs/dbraw/zinc/09/83/84/223098384.db2.gz ASHAEPRGSIUHIB-HOTGVXAUSA-N 1 1 360.414 1.650 50 0 FDAAMO Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@H+]2CC(C)(C)C)n1 ZINC000012711871 220019019 /nfs/dbraw/zinc/01/90/19/220019019.db2.gz JHLSKPVFWDTXFP-CYBMUJFWSA-N 1 1 352.504 1.647 50 0 FDAAMO Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(C)(C)C)n1 ZINC000012711871 220019022 /nfs/dbraw/zinc/01/90/22/220019022.db2.gz JHLSKPVFWDTXFP-CYBMUJFWSA-N 1 1 352.504 1.647 50 0 FDAAMO COc1cc(CN2CCC(O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012710255 220019629 /nfs/dbraw/zinc/01/96/29/220019629.db2.gz JVQPMORSRWEYGB-GOSISDBHSA-N 1 1 366.502 1.732 50 0 FDAAMO COc1cc(CN2CCC(O)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012710255 220019633 /nfs/dbraw/zinc/01/96/33/220019633.db2.gz JVQPMORSRWEYGB-GOSISDBHSA-N 1 1 366.502 1.732 50 0 FDAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(C(N)=O)cc1)OCCO3 ZINC000013095753 220057873 /nfs/dbraw/zinc/05/78/73/220057873.db2.gz APLOZJXCNZOXCZ-UHFFFAOYSA-N 1 1 366.377 1.854 50 0 FDAAMO O=C(NCCO)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014540198 220125555 /nfs/dbraw/zinc/12/55/55/220125555.db2.gz SQMHSEOYSYNYTE-WOJBJXKFSA-N 1 1 359.514 1.372 50 0 FDAAMO O=C(NCCO)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014540198 220125559 /nfs/dbraw/zinc/12/55/59/220125559.db2.gz SQMHSEOYSYNYTE-WOJBJXKFSA-N 1 1 359.514 1.372 50 0 FDAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)cc1 ZINC000014886495 220135208 /nfs/dbraw/zinc/13/52/08/220135208.db2.gz CWZZJCBWISRHBG-AWEZNQCLSA-N 1 1 369.469 1.932 50 0 FDAAMO COCC[N@H+]1CCC[C@@H](CNc2nc3nonc3nc2N2CCCC2)C1 ZINC000015076110 220145618 /nfs/dbraw/zinc/14/56/18/220145618.db2.gz ZXRMAZYUKUVNRO-ZDUSSCGKSA-N 1 1 361.450 1.383 50 0 FDAAMO O=C(NCC1([NH+]2CCOCC2)CCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000015070734 220145666 /nfs/dbraw/zinc/14/56/66/220145666.db2.gz ALTGXMYMFADSRD-SFHVURJKSA-N 1 1 371.481 1.801 50 0 FDAAMO O=C(C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCCC1 ZINC000018271529 220229556 /nfs/dbraw/zinc/22/95/56/220229556.db2.gz MRMHGBKNHMDREZ-QGZVFWFLSA-N 1 1 373.428 1.792 50 0 FDAAMO C[NH+]1CCN(C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000019369716 220253736 /nfs/dbraw/zinc/25/37/36/220253736.db2.gz MOQULQNPQAOHCR-OAHLLOKOSA-N 1 1 373.291 1.453 50 0 FDAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2cc(Cl)ccc2oc1=O ZINC000019620050 220280506 /nfs/dbraw/zinc/28/05/06/220280506.db2.gz FGVFQDOTJHTHII-UHFFFAOYSA-N 1 1 350.802 1.899 50 0 FDAAMO CC[NH+]1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000020512979 220331282 /nfs/dbraw/zinc/33/12/82/220331282.db2.gz HBVNHUYBWLIPQI-UHFFFAOYSA-N 1 1 373.906 1.266 50 0 FDAAMO C[C@H](C(=O)N1CC[NH+](C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000020568037 220332447 /nfs/dbraw/zinc/33/24/47/220332447.db2.gz YOSUPPJBJBYHTC-GFCCVEGCSA-N 1 1 359.879 1.269 50 0 FDAAMO c1nc2c3c4c(sc3nc(NCCC[NH+]3CCOCC3)n2n1)CCC4 ZINC000020501872 220331167 /nfs/dbraw/zinc/33/11/67/220331167.db2.gz XAINBHJJKZBMQR-UHFFFAOYSA-N 1 1 358.471 1.962 50 0 FDAAMO NC(=O)Nc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000020937933 220346734 /nfs/dbraw/zinc/34/67/34/220346734.db2.gz PQXKDZPCLDTXQG-UHFFFAOYSA-N 1 1 360.458 1.942 50 0 FDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O ZINC000021943738 220372220 /nfs/dbraw/zinc/37/22/20/220372220.db2.gz UMNRHZLJLMBHFN-OAHLLOKOSA-N 1 1 372.469 1.081 50 0 FDAAMO COc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)c2)nn1 ZINC000299780122 533183422 /nfs/dbraw/zinc/18/34/22/533183422.db2.gz PERRXICBDKZYNA-KRWDZBQOSA-N 1 1 370.453 1.729 50 0 FDAAMO CC(=O)Nc1ccc(Cl)c(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000055413905 221069029 /nfs/dbraw/zinc/06/90/29/221069029.db2.gz IOOZYLDLHPPANC-LBPRGKRZSA-N 1 1 366.849 1.226 50 0 FDAAMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000058192737 221104711 /nfs/dbraw/zinc/10/47/11/221104711.db2.gz RSAHQCVBANQQRC-KBPBESRZSA-N 1 1 352.479 1.382 50 0 FDAAMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cn2ccc(=O)[nH]c2=O)c1 ZINC000058244271 221109966 /nfs/dbraw/zinc/10/99/66/221109966.db2.gz DFKCGFIXGXUEQG-UHFFFAOYSA-N 1 1 367.409 1.544 50 0 FDAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2C(=O)NC(CC)(CC)C2=O)c1 ZINC000058202684 221106039 /nfs/dbraw/zinc/10/60/39/221106039.db2.gz UOLNREQHJJHIES-UHFFFAOYSA-N 1 1 374.485 1.865 50 0 FDAAMO C[C@@H]1CCC[N@@H+](CC2(Cc3ccccc3)C(=O)N(C)C(=O)N(C)C2=O)C1 ZINC000061958048 221137572 /nfs/dbraw/zinc/13/75/72/221137572.db2.gz AQOWHQQXYIGLNA-OAHLLOKOSA-N 1 1 357.454 1.998 50 0 FDAAMO Cc1nc(NCCNS(=O)(=O)c2cccs2)cc(N2CCCC2)[nH+]1 ZINC000065362368 221202009 /nfs/dbraw/zinc/20/20/09/221202009.db2.gz NMLMOLYZJLQDIQ-UHFFFAOYSA-N 1 1 367.500 1.837 50 0 FDAAMO CNC(=O)C[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067446573 221254068 /nfs/dbraw/zinc/25/40/68/221254068.db2.gz NRCWZHHMDBFUBH-HXUWFJFHSA-N 1 1 361.486 1.341 50 0 FDAAMO CC(C)C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1nnc2n1CC[NH2+]CC2 ZINC000067446875 221254804 /nfs/dbraw/zinc/25/48/04/221254804.db2.gz BRPDJFVEAPGXKU-CQSZACIVSA-N 1 1 357.462 1.153 50 0 FDAAMO COCCN1CCC[C@@](O)(C[N@@H+](C)Cc2cccc3cnccc32)C1=O ZINC000067459855 221255832 /nfs/dbraw/zinc/25/58/32/221255832.db2.gz GWFLRENAOQOKSN-HXUWFJFHSA-N 1 1 357.454 1.667 50 0 FDAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1C ZINC000067562813 221259326 /nfs/dbraw/zinc/25/93/26/221259326.db2.gz YRYWVWYQILQCSU-AWEZNQCLSA-N 1 1 371.437 1.784 50 0 FDAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C2)cc1C ZINC000067562813 221259330 /nfs/dbraw/zinc/25/93/30/221259330.db2.gz YRYWVWYQILQCSU-AWEZNQCLSA-N 1 1 371.437 1.784 50 0 FDAAMO Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)c(-n2cccn2)c1 ZINC000067605316 221262748 /nfs/dbraw/zinc/26/27/48/221262748.db2.gz IZQSKFRMPXDLGK-SFTDATJTSA-N 1 1 369.513 1.282 50 0 FDAAMO CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCCN(Cc2cc(C)[nH]n2)C1 ZINC000067714621 221276338 /nfs/dbraw/zinc/27/63/38/221276338.db2.gz OSZXPLQVEFEWOP-HNNXBMFYSA-N 1 1 361.494 1.037 50 0 FDAAMO CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067678461 221270596 /nfs/dbraw/zinc/27/05/96/221270596.db2.gz USPXNXNOAZKLSC-NRFANRHFSA-N 1 1 373.497 1.137 50 0 FDAAMO O=C(c1cnccn1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000067758440 221281628 /nfs/dbraw/zinc/28/16/28/221281628.db2.gz APQVSSFUJPUUSY-GOSISDBHSA-N 1 1 351.454 1.903 50 0 FDAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)cc1C ZINC000067833607 221290916 /nfs/dbraw/zinc/29/09/16/221290916.db2.gz OAAQDVHQJFLEFI-CQSZACIVSA-N 1 1 371.437 1.784 50 0 FDAAMO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(CN(C)S(C)(=O)=O)o3)C2)n1 ZINC000071497949 221350127 /nfs/dbraw/zinc/35/01/27/221350127.db2.gz CIMVHXQGWORIKD-HNNXBMFYSA-N 1 1 366.487 1.931 50 0 FDAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)N1CCc2c(=O)[nH]c(-c3cccnc3)nc2C1 ZINC000071589667 221351247 /nfs/dbraw/zinc/35/12/47/221351247.db2.gz ZBHAHQVQOMYLJM-HIFRSBDPSA-N 1 1 365.437 1.201 50 0 FDAAMO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCNCC1 ZINC000071749394 221360638 /nfs/dbraw/zinc/36/06/38/221360638.db2.gz CDCHZMWTBIBZRS-LJQANCHMSA-N 1 1 371.529 1.190 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCNCC1 ZINC000071749394 221360639 /nfs/dbraw/zinc/36/06/39/221360639.db2.gz CDCHZMWTBIBZRS-LJQANCHMSA-N 1 1 371.529 1.190 50 0 FDAAMO Cn1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071754420 221365407 /nfs/dbraw/zinc/36/54/07/221365407.db2.gz OZSFUFWLEHYMQC-CQSZACIVSA-N 1 1 359.474 1.015 50 0 FDAAMO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCc2[nH]cc[nH+]2)C1 ZINC000071662912 221353879 /nfs/dbraw/zinc/35/38/79/221353879.db2.gz LFQLKEJGFYCNRI-UHFFFAOYSA-N 1 1 363.425 1.821 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(c1ncc(F)c(N(C)C)n1)CC2 ZINC000091535806 132202079 /nfs/dbraw/zinc/20/20/79/132202079.db2.gz QIWAYSGKIKIMKF-UHFFFAOYSA-N 1 1 359.453 1.779 50 0 FDAAMO CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](Nc2nc(N)cc[nH+]2)C1 ZINC000091526322 132202229 /nfs/dbraw/zinc/20/22/29/132202229.db2.gz ZLPRADQBPWRLBI-CQSZACIVSA-N 1 1 369.473 1.936 50 0 FDAAMO COc1cc(N2CCC[C@H](c3nnc(Cn4cc[nH+]c4C)n3C)C2)ncn1 ZINC000095389360 132210502 /nfs/dbraw/zinc/21/05/02/132210502.db2.gz PHNWMKHFHHNMDO-AWEZNQCLSA-N 1 1 368.445 1.551 50 0 FDAAMO CCc1cc(N2CCC([NH2+]Cc3ncc[nH]3)CC2)nc(N2CCOCC2)n1 ZINC000095501641 132212355 /nfs/dbraw/zinc/21/23/55/132212355.db2.gz IELIWMKVDOQACY-UHFFFAOYSA-N 1 1 371.489 1.357 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N1CCC[C@@]2(CCCO2)CC1 ZINC000097532472 132229778 /nfs/dbraw/zinc/22/97/78/132229778.db2.gz WZNUNPCBDVYQSC-HXUWFJFHSA-N 1 1 373.501 1.712 50 0 FDAAMO O=C(c1cnc(N2CCOCC2)nc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000097819482 132231129 /nfs/dbraw/zinc/23/11/29/132231129.db2.gz MTDUNVQQQSVQRG-KRWDZBQOSA-N 1 1 353.426 1.100 50 0 FDAAMO O[C@@H](COc1ccc2c(c1)OCO2)C[NH+]1CCN(c2ccccn2)CC1 ZINC000002686779 132253762 /nfs/dbraw/zinc/25/37/62/132253762.db2.gz UJUYGFIKWWXXJU-OAHLLOKOSA-N 1 1 357.410 1.372 50 0 FDAAMO c1cnn(C[C@H]2C[N@H+](Cc3cnc(N4CCCCC4)nc3)CCCO2)c1 ZINC000215943228 132270686 /nfs/dbraw/zinc/27/06/86/132270686.db2.gz HPTNMWIOHLCJIS-GOSISDBHSA-N 1 1 356.474 1.955 50 0 FDAAMO c1cnn(C[C@H]2C[N@@H+](Cc3cnc(N4CCCCC4)nc3)CCCO2)c1 ZINC000215943228 132270687 /nfs/dbraw/zinc/27/06/87/132270687.db2.gz HPTNMWIOHLCJIS-GOSISDBHSA-N 1 1 356.474 1.955 50 0 FDAAMO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(c3nc(C)n[nH]3)CC2)n1 ZINC000244852582 132291235 /nfs/dbraw/zinc/29/12/35/132291235.db2.gz UVBDKXUGUWHICE-HDJSIYSDSA-N 1 1 357.462 1.638 50 0 FDAAMO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(c3nnc(C)[nH]3)CC2)n1 ZINC000244852582 132291238 /nfs/dbraw/zinc/29/12/38/132291238.db2.gz UVBDKXUGUWHICE-HDJSIYSDSA-N 1 1 357.462 1.638 50 0 FDAAMO CC[N@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245324864 132376579 /nfs/dbraw/zinc/37/65/79/132376579.db2.gz BAUZRTHILQFXID-CYBMUJFWSA-N 1 1 362.817 1.804 50 0 FDAAMO O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000072169958 136143591 /nfs/dbraw/zinc/14/35/91/136143591.db2.gz VWTGGORJTQYGNF-AWEZNQCLSA-N 1 1 373.432 1.269 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3cc(NCCO)ncn3)C[C@@H]2CCO)cc1 ZINC000072419731 136145876 /nfs/dbraw/zinc/14/58/76/136145876.db2.gz PXIHYDVNALYXRQ-SFHVURJKSA-N 1 1 371.485 1.262 50 0 FDAAMO CNC(=O)c1cccnc1N1CC[N@H+](Cc2ccccc2F)[C@H](CCO)C1 ZINC000072421728 136146070 /nfs/dbraw/zinc/14/60/70/136146070.db2.gz UOJAUJBDPRHABD-MRXNPFEDSA-N 1 1 372.444 1.654 50 0 FDAAMO CNC(=O)c1cccnc1N1CC[N@@H+](Cc2ccccc2F)[C@H](CCO)C1 ZINC000072421728 136146071 /nfs/dbraw/zinc/14/60/71/136146071.db2.gz UOJAUJBDPRHABD-MRXNPFEDSA-N 1 1 372.444 1.654 50 0 FDAAMO CSc1nc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)cc(N)[nH+]1 ZINC000072433518 136147113 /nfs/dbraw/zinc/14/71/13/136147113.db2.gz QHGHSJGFPMWPKD-NSHDSACASA-N 1 1 362.507 1.355 50 0 FDAAMO NC(=O)C[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000095530255 221956103 /nfs/dbraw/zinc/95/61/03/221956103.db2.gz LKDBEAWCLJDHIO-UHFFFAOYSA-N 1 1 368.437 1.340 50 0 FDAAMO O=C(Nc1ccc(-n2cnnn2)cc1)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000096140984 222046511 /nfs/dbraw/zinc/04/65/11/222046511.db2.gz VQUHPEQMWZFJTO-UHFFFAOYSA-N 1 1 371.445 1.429 50 0 FDAAMO CCC[N@@H+]1C[C@@H](NC(=O)c2c(F)cc(OC)cc2F)C[C@H]1C(=O)NCC ZINC000096165784 222064853 /nfs/dbraw/zinc/06/48/53/222064853.db2.gz NSWOWSVOTXJGBH-NHYWBVRUSA-N 1 1 369.412 1.692 50 0 FDAAMO CCC[N@H+]1C[C@@H](NC(=O)c2c(F)cc(OC)cc2F)C[C@H]1C(=O)NCC ZINC000096165784 222064854 /nfs/dbraw/zinc/06/48/54/222064854.db2.gz NSWOWSVOTXJGBH-NHYWBVRUSA-N 1 1 369.412 1.692 50 0 FDAAMO Cn1nc(-c2ccccc2)cc1C(=O)NCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000097117431 222161167 /nfs/dbraw/zinc/16/11/67/222161167.db2.gz XLJWHOIGFWCRGH-HNNXBMFYSA-N 1 1 355.442 1.014 50 0 FDAAMO CN(C)CC(=O)N1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@H](CO)C1 ZINC000097475554 222183732 /nfs/dbraw/zinc/18/37/32/222183732.db2.gz FEUVPESDMDFGCM-SFHVURJKSA-N 1 1 360.502 1.066 50 0 FDAAMO CC(C)C[N@H+]1CCCn2nc(CNC(=O)c3cc4ncccn4n3)cc2C1 ZINC000097797694 222215235 /nfs/dbraw/zinc/21/52/35/222215235.db2.gz AQHQAGCKNDZZNI-UHFFFAOYSA-N 1 1 367.457 1.718 50 0 FDAAMO Cn1c2ccccc2cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2CO)c1=O ZINC000097823376 222216360 /nfs/dbraw/zinc/21/63/60/222216360.db2.gz HEUIMLYMUQIKEY-MRXNPFEDSA-N 1 1 357.454 1.505 50 0 FDAAMO COCCCC[NH+]1CCN(C(=O)c2cnc3c(F)cccc3c2O)CC1 ZINC000097823340 222216728 /nfs/dbraw/zinc/21/67/28/222216728.db2.gz QKAQBOFUKUSSKW-UHFFFAOYSA-N 1 1 361.417 1.852 50 0 FDAAMO O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101337976 222270082 /nfs/dbraw/zinc/27/00/82/222270082.db2.gz XMLNWVARBGTDPK-CQSZACIVSA-N 1 1 350.440 1.483 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000104225452 222352314 /nfs/dbraw/zinc/35/23/14/222352314.db2.gz QZTJICFPDRZOHI-NEPJUHHUSA-N 1 1 360.414 1.458 50 0 FDAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000104225452 222352317 /nfs/dbraw/zinc/35/23/17/222352317.db2.gz QZTJICFPDRZOHI-NEPJUHHUSA-N 1 1 360.414 1.458 50 0 FDAAMO COc1ccc(C)cc1S(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000332271636 259254087 /nfs/dbraw/zinc/25/40/87/259254087.db2.gz FKHGSJJXFOUJOF-UHFFFAOYSA-N 1 1 364.471 1.684 50 0 FDAAMO COc1cc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc2c1OCO2 ZINC000020448684 263380208 /nfs/dbraw/zinc/38/02/08/263380208.db2.gz CMEHFQUBUFMJBM-CQSZACIVSA-N 1 1 372.425 1.925 50 0 FDAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc2c1OCO2 ZINC000020448684 263380211 /nfs/dbraw/zinc/38/02/11/263380211.db2.gz CMEHFQUBUFMJBM-CQSZACIVSA-N 1 1 372.425 1.925 50 0 FDAAMO Cn1ncc2c3ccccc3n(CCCC(=O)N3CC[NH+](C)CC3)c2c1=O ZINC000035372248 263398314 /nfs/dbraw/zinc/39/83/14/263398314.db2.gz ZRMGYXJMSOZYBY-UHFFFAOYSA-N 1 1 367.453 1.442 50 0 FDAAMO COc1ccc(NC(C)=O)cc1NC(=O)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000299782790 534181932 /nfs/dbraw/zinc/18/19/32/534181932.db2.gz XHRJVFIGWRMHND-AWEZNQCLSA-N 1 1 364.446 1.479 50 0 FDAAMO CCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000002953458 518256064 /nfs/dbraw/zinc/25/60/64/518256064.db2.gz YMVSDCYKOJCDPH-OAHLLOKOSA-N 1 1 359.536 1.429 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000004712374 518309404 /nfs/dbraw/zinc/30/94/04/518309404.db2.gz QQRKRZKEXSFCJS-DLBZAZTESA-N 1 1 373.563 1.676 50 0 FDAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000007494191 518423269 /nfs/dbraw/zinc/42/32/69/518423269.db2.gz GHRLWOPMFOCZIO-CABCVRRESA-N 1 1 360.458 1.048 50 0 FDAAMO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH+]1CCCC1 ZINC000007786078 518436216 /nfs/dbraw/zinc/43/62/16/518436216.db2.gz VRZZKYMMUDVSDV-UHFFFAOYSA-N 1 1 354.248 1.908 50 0 FDAAMO CCCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3CCOCC)n(C)c1=O ZINC000008725147 518485397 /nfs/dbraw/zinc/48/53/97/518485397.db2.gz HCAHUXIMXXOLCD-GFCCVEGCSA-N 1 1 362.434 1.100 50 0 FDAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000008746439 518486254 /nfs/dbraw/zinc/48/62/54/518486254.db2.gz VVBQOUDKUGJYIZ-ZBFHGGJFSA-N 1 1 365.499 1.781 50 0 FDAAMO Cc1ccc(C[N@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000011210283 518555026 /nfs/dbraw/zinc/55/50/26/518555026.db2.gz SZVOXCKSKYNMCI-GOSISDBHSA-N 1 1 353.422 1.706 50 0 FDAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000011210283 518555030 /nfs/dbraw/zinc/55/50/30/518555030.db2.gz SZVOXCKSKYNMCI-GOSISDBHSA-N 1 1 353.422 1.706 50 0 FDAAMO CS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019920560 518839908 /nfs/dbraw/zinc/83/99/08/518839908.db2.gz KSYUYHVGINWRGN-QGZVFWFLSA-N 1 1 365.499 1.002 50 0 FDAAMO Cc1ccc(-c2nc3nc(C)cc(N4CC[NH+](CCO)CC4)n3n2)cc1 ZINC000021173582 518866545 /nfs/dbraw/zinc/86/65/45/518866545.db2.gz GFEJXURDIKKRJR-UHFFFAOYSA-N 1 1 352.442 1.522 50 0 FDAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000022478453 518902170 /nfs/dbraw/zinc/90/21/70/518902170.db2.gz BUVDQYDAOOCTJP-QGZVFWFLSA-N 1 1 371.437 1.430 50 0 FDAAMO CC(=O)N1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000023584624 518957428 /nfs/dbraw/zinc/95/74/28/518957428.db2.gz ICBZNVBYZPOCRT-UHFFFAOYSA-N 1 1 351.491 1.396 50 0 FDAAMO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023641240 518958901 /nfs/dbraw/zinc/95/89/01/518958901.db2.gz KOLXRBDFVCELIU-UHFFFAOYSA-N 1 1 370.453 1.400 50 0 FDAAMO COc1ccc(CNC(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)cc1 ZINC000025229910 519045877 /nfs/dbraw/zinc/04/58/77/519045877.db2.gz INMHGJNEQBDXEC-WMZOPIPTSA-N 1 1 363.458 1.232 50 0 FDAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@H](O)CN2CCOCC2)c1 ZINC000025233060 519046310 /nfs/dbraw/zinc/04/63/10/519046310.db2.gz QTZHNTONJKXWAH-YJBOKZPZSA-N 1 1 350.459 1.534 50 0 FDAAMO CNC(=O)c1ccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000026301653 519115016 /nfs/dbraw/zinc/11/50/16/519115016.db2.gz DDENGNHOQLRVJG-KRWDZBQOSA-N 1 1 362.474 1.202 50 0 FDAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000032778028 519537794 /nfs/dbraw/zinc/53/77/94/519537794.db2.gz DUNLYCNJOICIGO-HNNXBMFYSA-N 1 1 363.425 1.770 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000032863559 519545938 /nfs/dbraw/zinc/54/59/38/519545938.db2.gz OYHWKTJSHBEPHN-IBGZPJMESA-N 1 1 360.502 1.875 50 0 FDAAMO COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035349289 519605346 /nfs/dbraw/zinc/60/53/46/519605346.db2.gz FFQIKUBCTCLQFD-LIRRHRJNSA-N 1 1 367.449 1.531 50 0 FDAAMO O=C([C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1)N1CCOCC1 ZINC000036249975 519617883 /nfs/dbraw/zinc/61/78/83/519617883.db2.gz UYMCLNNNUNWCAK-SFHVURJKSA-N 1 1 363.502 1.348 50 0 FDAAMO CC(C)c1cc(=O)n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000038509982 519634746 /nfs/dbraw/zinc/63/47/46/519634746.db2.gz VWXCOLHJJZMEIA-UHFFFAOYSA-N 1 1 354.454 1.711 50 0 FDAAMO COc1ccc(CC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(OC)c1 ZINC000042028575 519678050 /nfs/dbraw/zinc/67/80/50/519678050.db2.gz KAEKZZDZSXMGAG-QGZVFWFLSA-N 1 1 350.459 1.719 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)c3ccc(C)n(C)c3=O)cc2C1 ZINC000082161363 519855610 /nfs/dbraw/zinc/85/56/10/519855610.db2.gz NGJLTCSFEUZAQY-UHFFFAOYSA-N 1 1 357.458 1.436 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000020725377 520523420 /nfs/dbraw/zinc/52/34/20/520523420.db2.gz QQRKRZKEXSFCJS-SJORKVTESA-N 1 1 373.563 1.676 50 0 FDAAMO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccco1 ZINC000241869063 522072182 /nfs/dbraw/zinc/07/21/82/522072182.db2.gz SUDPGEQRTQVOHP-RBSFLKMASA-N 1 1 359.426 1.340 50 0 FDAAMO CN(C)C(=O)NCC(=O)N(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072137214 522163890 /nfs/dbraw/zinc/16/38/90/522163890.db2.gz OSEKNXIYARJIER-GOSISDBHSA-N 1 1 360.502 1.813 50 0 FDAAMO C[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](C1CCN(Cc3ccccn3)CC1)CC2 ZINC000072137280 522165670 /nfs/dbraw/zinc/16/56/70/522165670.db2.gz NCMDVIZAQOSAQZ-IBGZPJMESA-N 1 1 372.513 1.917 50 0 FDAAMO Cc1ncc(C(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(=O)[nH]1 ZINC000072149197 522175297 /nfs/dbraw/zinc/17/52/97/522175297.db2.gz ARLPIVDCAFHYIW-KRWDZBQOSA-N 1 1 354.454 1.857 50 0 FDAAMO CCCc1cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)Nc2ccc(C)nc2)ccn1 ZINC000072150126 522175557 /nfs/dbraw/zinc/17/55/57/522175557.db2.gz RRDQTXSDQCFNTI-SFHVURJKSA-N 1 1 367.453 1.790 50 0 FDAAMO COc1cc(Cl)cc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCCC2)c1 ZINC000072150947 522178036 /nfs/dbraw/zinc/17/80/36/522178036.db2.gz DOOQAJYKTDMASP-HNNXBMFYSA-N 1 1 351.834 1.385 50 0 FDAAMO CCc1nccc(C[N@H+]2CCC[C@@](O)(CNC(=O)N3CCCC3)CC2)n1 ZINC000072152682 522180419 /nfs/dbraw/zinc/18/04/19/522180419.db2.gz IJPULXRVYMFLFE-IBGZPJMESA-N 1 1 361.490 1.561 50 0 FDAAMO CN(C)C(=O)NCC(=O)N(C)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072153069 522180767 /nfs/dbraw/zinc/18/07/67/522180767.db2.gz YTQFJKWUMRRAGC-QGZVFWFLSA-N 1 1 358.486 1.348 50 0 FDAAMO CCn1c(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C(C)C)nc2ccccc21 ZINC000072167128 522194717 /nfs/dbraw/zinc/19/47/17/522194717.db2.gz QGROLKDRENFDOQ-QGZVFWFLSA-N 1 1 371.485 1.314 50 0 FDAAMO CCn1c(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C(C)C)nc2ccccc21 ZINC000072167128 522194724 /nfs/dbraw/zinc/19/47/24/522194724.db2.gz QGROLKDRENFDOQ-QGZVFWFLSA-N 1 1 371.485 1.314 50 0 FDAAMO C[C@@H](c1ccc(F)c(F)c1)N1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000072308437 522211664 /nfs/dbraw/zinc/21/16/64/522211664.db2.gz PXLOVCONCJRDNG-ZDUSSCGKSA-N 1 1 351.397 1.792 50 0 FDAAMO Cc1nc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)co1 ZINC000072426091 522259713 /nfs/dbraw/zinc/25/97/13/522259713.db2.gz SVCXBTZZPSMFPL-HNNXBMFYSA-N 1 1 360.462 1.323 50 0 FDAAMO Cc1nc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)co1 ZINC000072426091 522259725 /nfs/dbraw/zinc/25/97/25/522259725.db2.gz SVCXBTZZPSMFPL-HNNXBMFYSA-N 1 1 360.462 1.323 50 0 FDAAMO O=C(c1ccccc1-c1nnc[nH]1)N1C[C@H](O)[C@@H]([NH+]2CCCCCCC2)C1 ZINC000072431395 522266635 /nfs/dbraw/zinc/26/66/35/522266635.db2.gz WJGIUJJNRLVSOY-ROUUACIJSA-N 1 1 369.469 1.923 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072432203 522269214 /nfs/dbraw/zinc/26/92/14/522269214.db2.gz VNUCLTSXPSHTSD-QGZVFWFLSA-N 1 1 370.501 1.546 50 0 FDAAMO CCn1c2ccccc2nc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072433231 522271462 /nfs/dbraw/zinc/27/14/62/522271462.db2.gz ZUNYBRMCLFLKHY-DOTOQJQBSA-N 1 1 355.486 1.828 50 0 FDAAMO O=C(NC[C@@H]1CC[N@H+](Cc2cccc3nonc32)C[C@H]1O)c1ccco1 ZINC000072435541 522275103 /nfs/dbraw/zinc/27/51/03/522275103.db2.gz ZEBUJNWFIAOPKE-SWLSCSKDSA-N 1 1 356.382 1.429 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1COCCN1C(=O)COc1ccc2ccccc2c1 ZINC000085469932 522882149 /nfs/dbraw/zinc/88/21/49/522882149.db2.gz HXCVHBYFGYYZDI-GOSISDBHSA-N 1 1 358.438 1.370 50 0 FDAAMO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CSC[NH2+]1 ZINC000154807161 523100371 /nfs/dbraw/zinc/10/03/71/523100371.db2.gz IEFNKNGJIKWWCL-CMPLNLGQSA-N 1 1 364.389 1.566 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299775566 534690928 /nfs/dbraw/zinc/69/09/28/534690928.db2.gz GQSDPBRMENBIDZ-SJLPKXTDSA-N 1 1 350.426 1.776 50 0 FDAAMO Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H](Nc2ncccn2)[C@H](O)C1 ZINC000299775566 534690933 /nfs/dbraw/zinc/69/09/33/534690933.db2.gz GQSDPBRMENBIDZ-SJLPKXTDSA-N 1 1 350.426 1.776 50 0 FDAAMO O[C@H](C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1)c1cccc(F)c1 ZINC000052580016 523206892 /nfs/dbraw/zinc/20/68/92/523206892.db2.gz XZGRHWXDUQLQEY-GOSISDBHSA-N 1 1 368.416 1.657 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C[C@H]1O)c1cnccn1 ZINC000077407242 523327684 /nfs/dbraw/zinc/32/76/84/523327684.db2.gz XSUUVMDPRXMRMH-IEBWSBKVSA-N 1 1 363.421 1.390 50 0 FDAAMO O=C(c1cnc2ccccn2c1=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077437083 523333884 /nfs/dbraw/zinc/33/38/84/523333884.db2.gz XTKWHAPOPIPNKT-HNNXBMFYSA-N 1 1 356.426 1.021 50 0 FDAAMO COc1cccc(C(=O)N2CCN(C(=O)[C@H](C)n3cc[nH+]c3C)CC2)c1 ZINC000077469736 523349406 /nfs/dbraw/zinc/34/94/06/523349406.db2.gz BVPFAKMPDVFHCT-AWEZNQCLSA-N 1 1 356.426 1.746 50 0 FDAAMO Cc1nnc(CCC(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)[nH]1 ZINC000077525463 523374317 /nfs/dbraw/zinc/37/43/17/523374317.db2.gz KGDHRKMGUMCCJC-UHFFFAOYSA-N 1 1 371.489 1.707 50 0 FDAAMO Cc1ccc2[nH]c(C(=O)NC3CC[NH+](CC(=O)NC4CC4)CC3)cc2c1 ZINC000053479717 523443402 /nfs/dbraw/zinc/44/34/02/523443402.db2.gz RHVGVZODIPRXDG-UHFFFAOYSA-N 1 1 354.454 1.949 50 0 FDAAMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000078560142 523606188 /nfs/dbraw/zinc/60/61/88/523606188.db2.gz ICULLTXVCIQBKA-MRXNPFEDSA-N 1 1 355.479 1.616 50 0 FDAAMO CCc1ccc(C[N@H+](C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000007442666 523920434 /nfs/dbraw/zinc/92/04/34/523920434.db2.gz HWRZMFZYVNBVJN-UHFFFAOYSA-N 1 1 372.469 1.967 50 0 FDAAMO CCc1ccc(C[N@@H+](C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000007442666 523920440 /nfs/dbraw/zinc/92/04/40/523920440.db2.gz HWRZMFZYVNBVJN-UHFFFAOYSA-N 1 1 372.469 1.967 50 0 FDAAMO Cc1cccc(CN2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@@H]3CO)CC2)c1 ZINC000089669493 524396553 /nfs/dbraw/zinc/39/65/53/524396553.db2.gz WAFQNHPRKBNSTK-ICSRJNTNSA-N 1 1 359.514 1.732 50 0 FDAAMO Cc1ccc(C[N@H+]2CCN(c3cc(NCCO)ncn3)C[C@H]2CCO)cc1 ZINC000106945490 524462108 /nfs/dbraw/zinc/46/21/08/524462108.db2.gz PXIHYDVNALYXRQ-GOSISDBHSA-N 1 1 371.485 1.262 50 0 FDAAMO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(=O)N1c1ccccc1 ZINC000089920106 524542003 /nfs/dbraw/zinc/54/20/03/524542003.db2.gz HEWLOBAUKYCMNA-MNEFBYGVSA-N 1 1 371.481 1.940 50 0 FDAAMO Cc1nccn1CC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000091304700 524689111 /nfs/dbraw/zinc/68/91/11/524689111.db2.gz FIHWRWYOHDBBNA-UHFFFAOYSA-N 1 1 370.501 1.947 50 0 FDAAMO Cc1c(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)ccn1C ZINC000091416703 524701234 /nfs/dbraw/zinc/70/12/34/524701234.db2.gz WRFIOXYUCOIIJU-QGZVFWFLSA-N 1 1 372.513 1.882 50 0 FDAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cn1c(C)cc(C)nc1=O)C2 ZINC000091427073 524703755 /nfs/dbraw/zinc/70/37/55/524703755.db2.gz CYUCZQBPXSHYAM-QZTJIDSGSA-N 1 1 358.486 1.749 50 0 FDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2 ZINC000091426728 524703782 /nfs/dbraw/zinc/70/37/82/524703782.db2.gz UIUREWJBNMCBKV-OAHLLOKOSA-N 1 1 356.474 1.872 50 0 FDAAMO CNC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCCN(CCOC)C3=O)cc1 ZINC000091475198 524713507 /nfs/dbraw/zinc/71/35/07/524713507.db2.gz BBOGEVHGISGQGA-FQEVSTJZSA-N 1 1 359.470 1.507 50 0 FDAAMO Cc1nc(C2CC2)ncc1C(=O)N1CC[C@@]2(O)CC[N@H+](C(C)C)C[C@H]2C1 ZINC000091486381 524715112 /nfs/dbraw/zinc/71/51/12/524715112.db2.gz DTPWKIAEDGROLF-JXFKEZNVSA-N 1 1 358.486 1.970 50 0 FDAAMO CCc1ncc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000091575443 524728691 /nfs/dbraw/zinc/72/86/91/524728691.db2.gz DCOYVUGZYQHQBQ-NRFANRHFSA-N 1 1 371.529 1.948 50 0 FDAAMO Cc1ccc2nc(CCC(=O)N3C[C@H](CO)[C@H](C[NH+](C)C)C3)[nH]c2c1C ZINC000091563489 524729143 /nfs/dbraw/zinc/72/91/43/524729143.db2.gz VCEQBHKNLVAMQD-HZPDHXFCSA-N 1 1 358.486 1.741 50 0 FDAAMO CN1CCC[N@@H+](C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2CO)CC1 ZINC000091587046 524734217 /nfs/dbraw/zinc/73/42/17/524734217.db2.gz YYCRAFCYJXAIPU-ZIAGYGMSSA-N 1 1 355.866 1.251 50 0 FDAAMO C[N@@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2CO)CC1 ZINC000091587046 524734225 /nfs/dbraw/zinc/73/42/25/524734225.db2.gz YYCRAFCYJXAIPU-ZIAGYGMSSA-N 1 1 355.866 1.251 50 0 FDAAMO C[N@H+]1CCCN(C[C@@H]2CN(C(=O)c3ccc(Cl)o3)C[C@@H]2CO)CC1 ZINC000091587046 524734236 /nfs/dbraw/zinc/73/42/36/524734236.db2.gz YYCRAFCYJXAIPU-ZIAGYGMSSA-N 1 1 355.866 1.251 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)on2)C[N@@H+]1CCc1ccccc1 ZINC000091636606 524749219 /nfs/dbraw/zinc/74/92/19/524749219.db2.gz SUMFXONYQFOTLQ-AEFFLSMTSA-N 1 1 370.453 1.535 50 0 FDAAMO CCNC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)on2)C[N@H+]1CCc1ccccc1 ZINC000091636606 524749227 /nfs/dbraw/zinc/74/92/27/524749227.db2.gz SUMFXONYQFOTLQ-AEFFLSMTSA-N 1 1 370.453 1.535 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091680418 524760474 /nfs/dbraw/zinc/76/04/74/524760474.db2.gz PVPSPMYZUHYSDL-UHFFFAOYSA-N 1 1 355.442 1.327 50 0 FDAAMO CN1C[C@]2(CCC[N@H+](Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O ZINC000091745976 524771857 /nfs/dbraw/zinc/77/18/57/524771857.db2.gz QVRRKXDXVWVDQS-IBGZPJMESA-N 1 1 370.409 1.044 50 0 FDAAMO CN1C[C@]2(CCC[N@@H+](Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)C2)OC1=O ZINC000091745976 524771866 /nfs/dbraw/zinc/77/18/66/524771866.db2.gz QVRRKXDXVWVDQS-IBGZPJMESA-N 1 1 370.409 1.044 50 0 FDAAMO COc1cccc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1OC ZINC000091769439 524780198 /nfs/dbraw/zinc/78/01/98/524780198.db2.gz RQHMPRJZVNDGBX-HXUWFJFHSA-N 1 1 361.486 1.832 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnn1C)CC2 ZINC000092061997 524836352 /nfs/dbraw/zinc/83/63/52/524836352.db2.gz LAHJJVOGPFSNAE-UHFFFAOYSA-N 1 1 356.474 1.933 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cnc(-c3ccccn3)[nH]c2=O)C1 ZINC000092066443 524838153 /nfs/dbraw/zinc/83/81/53/524838153.db2.gz YYZNKVZDJSJTKX-ZDUSSCGKSA-N 1 1 353.426 1.943 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cncn1)CC2 ZINC000092107760 524850130 /nfs/dbraw/zinc/85/01/30/524850130.db2.gz DWYGGGGTIIKIRS-OAHLLOKOSA-N 1 1 371.489 1.738 50 0 FDAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091468740 524968310 /nfs/dbraw/zinc/96/83/10/524968310.db2.gz ARBBVWXIBIXAMM-QKPAOTATSA-N 1 1 352.500 1.467 50 0 FDAAMO Cc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)o1 ZINC000095357561 525031442 /nfs/dbraw/zinc/03/14/42/525031442.db2.gz IXYJSTQCRHXMIL-JKSUJKDBSA-N 1 1 373.482 1.988 50 0 FDAAMO Cc1nnc(SCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)o1 ZINC000095357561 525031452 /nfs/dbraw/zinc/03/14/52/525031452.db2.gz IXYJSTQCRHXMIL-JKSUJKDBSA-N 1 1 373.482 1.988 50 0 FDAAMO C[C@H](C(=O)N1CCC(O)(Cn2ccnc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000095358923 525033891 /nfs/dbraw/zinc/03/38/91/525033891.db2.gz TXQHAXKGZMAPJJ-QGZVFWFLSA-N 1 1 368.481 1.683 50 0 FDAAMO CCC(CC)[C@H](C(=O)NCCCOC[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000095401917 525067965 /nfs/dbraw/zinc/06/79/65/525067965.db2.gz OFFLDQVGDJOBDP-SJLPKXTDSA-N 1 1 356.507 1.683 50 0 FDAAMO Cc1ccccc1[C@H](C(=O)NCc1nc(-c2ncccn2)no1)[NH+](C)C ZINC000095500951 525083228 /nfs/dbraw/zinc/08/32/28/525083228.db2.gz ZUAKZUUQIULAGO-OAHLLOKOSA-N 1 1 352.398 1.754 50 0 FDAAMO COc1ccc([C@@H]2CN(C(=O)CCn3cc[nH+]c3C)C[C@H]2NC(C)=O)cc1 ZINC000095500592 525083254 /nfs/dbraw/zinc/08/32/54/525083254.db2.gz VZBYXPJSSSQWLA-RBUKOAKNSA-N 1 1 370.453 1.721 50 0 FDAAMO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 ZINC000095524410 525101260 /nfs/dbraw/zinc/10/12/60/525101260.db2.gz FNUHPZNYLIKHSJ-UHFFFAOYSA-N 1 1 369.469 1.806 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 ZINC000095524410 525101275 /nfs/dbraw/zinc/10/12/75/525101275.db2.gz FNUHPZNYLIKHSJ-UHFFFAOYSA-N 1 1 369.469 1.806 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC(C)(C)C ZINC000095995920 525114600 /nfs/dbraw/zinc/11/46/00/525114600.db2.gz JEDCOIQHQUYVFY-IYBDPMFKSA-N 1 1 368.566 1.991 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC(C)(C)C ZINC000095995920 525114607 /nfs/dbraw/zinc/11/46/07/525114607.db2.gz JEDCOIQHQUYVFY-IYBDPMFKSA-N 1 1 368.566 1.991 50 0 FDAAMO CN(CC(=O)NC(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC(C)(C)C ZINC000095995920 525114611 /nfs/dbraw/zinc/11/46/11/525114611.db2.gz JEDCOIQHQUYVFY-IYBDPMFKSA-N 1 1 368.566 1.991 50 0 FDAAMO CC1([C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011020 525120927 /nfs/dbraw/zinc/12/09/27/525120927.db2.gz LLEFHFZZOZMBEA-MOPGFXCFSA-N 1 1 374.481 1.889 50 0 FDAAMO CC1([C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)OCCO1 ZINC000096011020 525120934 /nfs/dbraw/zinc/12/09/34/525120934.db2.gz LLEFHFZZOZMBEA-MOPGFXCFSA-N 1 1 374.481 1.889 50 0 FDAAMO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613358 525643636 /nfs/dbraw/zinc/64/36/36/525643636.db2.gz QSHDOFBECMHGOI-KDOFPFPSSA-N 1 1 354.454 1.846 50 0 FDAAMO C[Si](C)(C)c1ccc(C[NH+]2CCN(c3ccc4nncn4n3)CC2)cc1 ZINC000170616843 525646289 /nfs/dbraw/zinc/64/62/89/525646289.db2.gz XMIOKEOTZXAVPC-UHFFFAOYSA-N 1 1 366.545 1.992 50 0 FDAAMO COc1cccc(-c2n[nH]cc2C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000091603517 525719604 /nfs/dbraw/zinc/71/96/04/525719604.db2.gz CCAUTGSDWRBFKH-CQSZACIVSA-N 1 1 371.441 1.012 50 0 FDAAMO CN1CCC[N@@H+](CCC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000107697092 525910837 /nfs/dbraw/zinc/91/08/37/525910837.db2.gz OKSPZKITIFYIIA-FQEVSTJZSA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@@H+]1CCCN(CCC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000107697092 525910842 /nfs/dbraw/zinc/91/08/42/525910842.db2.gz OKSPZKITIFYIIA-FQEVSTJZSA-N 1 1 359.514 1.598 50 0 FDAAMO C[N@H+]1CCCN(CCC(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000107697092 525910849 /nfs/dbraw/zinc/91/08/49/525910849.db2.gz OKSPZKITIFYIIA-FQEVSTJZSA-N 1 1 359.514 1.598 50 0 FDAAMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC1CCOCC1 ZINC000080086975 526314097 /nfs/dbraw/zinc/31/40/97/526314097.db2.gz GFLKIOURNSTGKI-UHFFFAOYSA-N 1 1 350.438 1.426 50 0 FDAAMO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccccc1F)CC2)C1CCC1 ZINC000019839380 526464345 /nfs/dbraw/zinc/46/43/45/526464345.db2.gz WJBYTKHOECKGCL-UHFFFAOYSA-N 1 1 371.460 1.934 50 0 FDAAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccccc1F)CC2)C1CCC1 ZINC000019839380 526464350 /nfs/dbraw/zinc/46/43/50/526464350.db2.gz WJBYTKHOECKGCL-UHFFFAOYSA-N 1 1 371.460 1.934 50 0 FDAAMO O=C(CCn1cnnn1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091548142 526687900 /nfs/dbraw/zinc/68/79/00/526687900.db2.gz NXOXNVCRWJWVBU-DOTOQJQBSA-N 1 1 358.421 1.325 50 0 FDAAMO O=C(C[NH+]1CCCC1)N1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000091679136 526731527 /nfs/dbraw/zinc/73/15/27/526731527.db2.gz SKUOGYQEIYRJBT-FQEVSTJZSA-N 1 1 373.501 1.279 50 0 FDAAMO O=C(CN1CCOC1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091636357 526786759 /nfs/dbraw/zinc/78/67/59/526786759.db2.gz YMTSRGAAHMFZBD-DOTOQJQBSA-N 1 1 361.417 1.701 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)N[C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000091585768 526857700 /nfs/dbraw/zinc/85/77/00/526857700.db2.gz JFDQUUITXBJHGC-AWEZNQCLSA-N 1 1 374.268 1.340 50 0 FDAAMO O=C(CNC(=O)c1ccccc1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000019812207 526862745 /nfs/dbraw/zinc/86/27/45/526862745.db2.gz YCNVADRCTMHWQK-SFHVURJKSA-N 1 1 359.470 1.520 50 0 FDAAMO O=C(c1nc2ccccn2c1CNCC[NH+]1CCCCC1)N1CCOCC1 ZINC000020206408 526918058 /nfs/dbraw/zinc/91/80/58/526918058.db2.gz VPMDDDLPZPHEET-UHFFFAOYSA-N 1 1 371.485 1.382 50 0 FDAAMO O[C@@H]1C[C@H](O)C12CC[NH+](Cc1cnc(NCc3ccccc3)nc1)CC2 ZINC000091494321 527679285 /nfs/dbraw/zinc/67/92/85/527679285.db2.gz MELIJCXVXFELCI-HDICACEKSA-N 1 1 354.454 1.796 50 0 FDAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccc(C)n(CC)c3=O)cc2C1 ZINC000299779579 528488213 /nfs/dbraw/zinc/48/82/13/528488213.db2.gz USIWTVDXXSBDLS-UHFFFAOYSA-N 1 1 371.485 1.919 50 0 FDAAMO CCCc1cc(NCc2cc3n(n2)CCN(S(C)(=O)=O)C3)nc(C)[nH+]1 ZINC000299783137 528612582 /nfs/dbraw/zinc/61/25/82/528612582.db2.gz NHGUTNLXDUCMLU-UHFFFAOYSA-N 1 1 364.475 1.321 50 0 FDAAMO CCOC(=O)C[C@@H](Sc1ncnc2c1C[N@@H+](C)CC2)C(=O)OCC ZINC000280349303 528877560 /nfs/dbraw/zinc/87/75/60/528877560.db2.gz WMWUZWKFMCCFPY-CYBMUJFWSA-N 1 1 353.444 1.442 50 0 FDAAMO CC(C)[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153718 535321071 /nfs/dbraw/zinc/32/10/71/535321071.db2.gz JVSIXBYAROMUFQ-IXDOHACOSA-N 1 1 361.490 1.259 50 0 FDAAMO CC(C)[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153718 535321075 /nfs/dbraw/zinc/32/10/75/535321075.db2.gz JVSIXBYAROMUFQ-IXDOHACOSA-N 1 1 361.490 1.259 50 0 FDAAMO CN(C)c1cc[nH+]c(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1 ZINC000299759863 536155458 /nfs/dbraw/zinc/15/54/58/536155458.db2.gz OHLXUHGXVSXTAX-UHFFFAOYSA-N 1 1 369.473 1.566 50 0 FDAAMO CC[C@@H]1CN(C(=O)CCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000185331616 536205610 /nfs/dbraw/zinc/20/56/10/536205610.db2.gz YPJMLFBZDVHORC-LJQANCHMSA-N 1 1 373.497 1.748 50 0 FDAAMO CN1CCN(c2cc(N3CC[NH+](C)CC3)nc(-c3cccnc3)n2)CC1 ZINC000089382763 536419686 /nfs/dbraw/zinc/41/96/86/536419686.db2.gz CVPSHJHHRYAKTD-UHFFFAOYSA-N 1 1 353.474 1.042 50 0 FDAAMO COCc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)ncn1 ZINC000071757023 536725103 /nfs/dbraw/zinc/72/51/03/536725103.db2.gz ATOZTQMMCNSSCP-OAHLLOKOSA-N 1 1 373.501 1.582 50 0 FDAAMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc(Cl)c1OCC(N)=O ZINC000194538381 537292977 /nfs/dbraw/zinc/29/29/77/537292977.db2.gz NYBWBKDHKCAJTD-BETUJISGSA-N 1 1 353.850 1.206 50 0 FDAAMO Cc1cnc2c(Cl)c(C(=O)NCC[N@H+]3CCCC[C@H]3CO)nn2c1 ZINC000216520679 537450594 /nfs/dbraw/zinc/45/05/94/537450594.db2.gz JEVRPTNCIFYHOA-LBPRGKRZSA-N 1 1 351.838 1.268 50 0 FDAAMO CS(=O)(=O)NC1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000219314926 537474975 /nfs/dbraw/zinc/47/49/75/537474975.db2.gz YMPAAMYEGMDXJY-MRXNPFEDSA-N 1 1 365.499 1.016 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)C3)cn1 ZINC000222267589 537503945 /nfs/dbraw/zinc/50/39/45/537503945.db2.gz NDNNWBHWKBKYGJ-CQSZACIVSA-N 1 1 355.442 1.707 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC3)cn1 ZINC000222267589 537503954 /nfs/dbraw/zinc/50/39/54/537503954.db2.gz NDNNWBHWKBKYGJ-CQSZACIVSA-N 1 1 355.442 1.707 50 0 FDAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC3)cn1 ZINC000222267589 537503962 /nfs/dbraw/zinc/50/39/62/537503962.db2.gz NDNNWBHWKBKYGJ-CQSZACIVSA-N 1 1 355.442 1.707 50 0 FDAAMO CCC[C@@H]1CN(C(=O)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC000225399753 537545400 /nfs/dbraw/zinc/54/54/00/537545400.db2.gz GLDSXSMVVWMRMG-YESZJQIVSA-N 1 1 353.507 1.735 50 0 FDAAMO CCC[C@@H]1CN(C(=O)C(=O)N2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1CCOC ZINC000225399753 537545409 /nfs/dbraw/zinc/54/54/09/537545409.db2.gz GLDSXSMVVWMRMG-YESZJQIVSA-N 1 1 353.507 1.735 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000226705901 537567894 /nfs/dbraw/zinc/56/78/94/537567894.db2.gz PKPCMZGWINLNAW-CJNGLKHVSA-N 1 1 359.426 1.305 50 0 FDAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H](C(N)=O)C3)C2=O)cc1 ZINC000226705901 537567898 /nfs/dbraw/zinc/56/78/98/537567898.db2.gz PKPCMZGWINLNAW-CJNGLKHVSA-N 1 1 359.426 1.305 50 0 FDAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000230101835 537577874 /nfs/dbraw/zinc/57/78/74/537577874.db2.gz YBMRNPZQBDXJTJ-KBPBESRZSA-N 1 1 355.442 1.516 50 0 FDAAMO CCn1cc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000230205248 537579415 /nfs/dbraw/zinc/57/94/15/537579415.db2.gz KDQFWGIUYCSUQG-HXUWFJFHSA-N 1 1 359.518 1.812 50 0 FDAAMO Cc1cn2c(nc(C[N@H+]3CCC[C@@H](c4nnc(CO)n4C)C3)cc2=O)s1 ZINC000240128369 537645705 /nfs/dbraw/zinc/64/57/05/537645705.db2.gz IQMDODCOEFPPAJ-GFCCVEGCSA-N 1 1 374.470 1.065 50 0 FDAAMO Cc1cn2c(nc(C[N@@H+]3CCC[C@@H](c4nnc(CO)n4C)C3)cc2=O)s1 ZINC000240128369 537645710 /nfs/dbraw/zinc/64/57/10/537645710.db2.gz IQMDODCOEFPPAJ-GFCCVEGCSA-N 1 1 374.470 1.065 50 0 FDAAMO CC(C)n1cnnc1CCNC(=O)[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000244601769 537647856 /nfs/dbraw/zinc/64/78/56/537647856.db2.gz DRLLREAHKQDCIH-QGZVFWFLSA-N 1 1 359.430 1.549 50 0 FDAAMO O=C(CC1Cc2ccccc2C1)NC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000244852849 537654631 /nfs/dbraw/zinc/65/46/31/537654631.db2.gz UZYJVHYLKMTZFR-UHFFFAOYSA-N 1 1 355.482 1.651 50 0 FDAAMO COCc1cc(CNC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)n[nH]1 ZINC000426563490 538424654 /nfs/dbraw/zinc/42/46/54/538424654.db2.gz XBXZLQOXESTTGU-UHFFFAOYSA-N 1 1 358.446 1.681 50 0 FDAAMO COC(=O)c1cc(O)cc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000584885507 551564570 /nfs/dbraw/zinc/56/45/70/551564570.db2.gz KFPYGZPFCBYFHE-AWEZNQCLSA-N 1 1 362.426 1.363 50 0 FDAAMO C[N@H+]1CCOC[C@@H](CNC(=O)N2CCOc3ccc(Cl)cc3C2)C1 ZINC000584889341 551565570 /nfs/dbraw/zinc/56/55/70/551565570.db2.gz JXXKANLPZXIYDT-ZDUSSCGKSA-N 1 1 353.850 1.822 50 0 FDAAMO NC(=O)N1CCC[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)C1 ZINC000365402544 568620850 /nfs/dbraw/zinc/62/08/50/568620850.db2.gz LAKICPKVDJUAQF-MRXNPFEDSA-N 1 1 362.449 1.651 50 0 FDAAMO NC(=O)N1CCC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)C1 ZINC000365402544 568620852 /nfs/dbraw/zinc/62/08/52/568620852.db2.gz LAKICPKVDJUAQF-MRXNPFEDSA-N 1 1 362.449 1.651 50 0 FDAAMO C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000408517303 570564775 /nfs/dbraw/zinc/56/47/75/570564775.db2.gz GAKZTPKWOCMLAX-MRXNPFEDSA-N 1 1 367.497 1.872 50 0 FDAAMO CO[C@]12CCN(C(=O)c3ccc(C[NH+](C)C)o3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426522829 570614373 /nfs/dbraw/zinc/61/43/73/570614373.db2.gz ARHKGYFYFGOLHD-UCLAIMLFSA-N 1 1 366.458 1.502 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O ZINC000526052332 570685842 /nfs/dbraw/zinc/68/58/42/570685842.db2.gz BNLRAXSQDBEUKR-OAHLLOKOSA-N 1 1 355.398 1.213 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)NCCCn2ccc3ccccc32)CC1 ZINC000045608227 570909621 /nfs/dbraw/zinc/90/96/21/570909621.db2.gz YMFBMMGPIPWOHC-UHFFFAOYSA-N 1 1 357.458 1.280 50 0 FDAAMO Cc1csc2nc(C[N@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)cc(=O)n12 ZINC000048309599 570943370 /nfs/dbraw/zinc/94/33/70/570943370.db2.gz OVXGWYDYZKGTQP-CQSZACIVSA-N 1 1 360.483 1.803 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000097123621 571094548 /nfs/dbraw/zinc/09/45/48/571094548.db2.gz NAPSYPJXOBQZSN-IUODEOHRSA-N 1 1 352.398 1.899 50 0 FDAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000245342963 571097713 /nfs/dbraw/zinc/09/77/13/571097713.db2.gz AIFQLANRLDQALE-IAGOWNOFSA-N 1 1 373.563 1.819 50 0 FDAAMO CCc1cc(NC[C@H]2C[C@H](c3nnc4n3CCOC4)C[C@H]2O)nc(C)[nH+]1 ZINC000685940717 571100512 /nfs/dbraw/zinc/10/05/12/571100512.db2.gz GCVPMGHEJZBHAA-GZBFAFLISA-N 1 1 358.446 1.436 50 0 FDAAMO O=C(COc1cccc(F)c1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1O ZINC000244778724 571116262 /nfs/dbraw/zinc/11/62/62/571116262.db2.gz PVFZUQVAMNCTNX-QZTJIDSGSA-N 1 1 359.401 1.351 50 0 FDAAMO O=C(COc1cccc(F)c1)N[C@@H]1CC[N@H+](Cc2cccnc2)C[C@H]1O ZINC000244778724 571116265 /nfs/dbraw/zinc/11/62/65/571116265.db2.gz PVFZUQVAMNCTNX-QZTJIDSGSA-N 1 1 359.401 1.351 50 0 FDAAMO C[C@H](Cc1ccsc1)NC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000426401573 571220178 /nfs/dbraw/zinc/22/01/78/571220178.db2.gz CPLBPUANFCBDQY-CQSZACIVSA-N 1 1 364.515 1.675 50 0 FDAAMO Cc1cnc(-c2ccc(C(=O)N[C@@H]3C[C@@H](CO)[N@@H+](C)C3)cc2)nc1N(C)C ZINC000426489499 571228006 /nfs/dbraw/zinc/22/80/06/571228006.db2.gz GBDRAFKBLOIOBB-SJORKVTESA-N 1 1 369.469 1.313 50 0 FDAAMO Cc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nn1 ZINC000426525789 571230114 /nfs/dbraw/zinc/23/01/14/571230114.db2.gz COLQTYASILMMHY-QGZVFWFLSA-N 1 1 367.453 1.379 50 0 FDAAMO C[C@@H](CCNC(=O)c1cccc(-c2cnn(C)c2N)c1)[NH+]1CCOCC1 ZINC000426628710 571234003 /nfs/dbraw/zinc/23/40/03/571234003.db2.gz DVJXLDRUCKYDHL-AWEZNQCLSA-N 1 1 357.458 1.510 50 0 FDAAMO COc1ccccc1-n1cc(-c2cn(CC[NH+]3CCOCC3)nn2)cn1 ZINC000091550447 571240501 /nfs/dbraw/zinc/24/05/01/571240501.db2.gz UGRRQULJZGXMDT-UHFFFAOYSA-N 1 1 354.414 1.472 50 0 FDAAMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)NC)c1 ZINC000253429267 571313370 /nfs/dbraw/zinc/31/33/70/571313370.db2.gz RCSGTEZASXTMHS-LBPRGKRZSA-N 1 1 359.467 1.584 50 0 FDAAMO COc1ccc(Cl)cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670438210 571347788 /nfs/dbraw/zinc/34/77/88/571347788.db2.gz FGGFHGZRQFSJJF-ZDUSSCGKSA-N 1 1 362.879 1.474 50 0 FDAAMO COc1ccc(Cl)cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1CO ZINC000670438210 571347789 /nfs/dbraw/zinc/34/77/89/571347789.db2.gz FGGFHGZRQFSJJF-ZDUSSCGKSA-N 1 1 362.879 1.474 50 0 FDAAMO O=S(=O)(NCCC[N@@H+]1CCC[C@@H](O)C1)c1ccc(-c2ccno2)o1 ZINC000670444430 571349806 /nfs/dbraw/zinc/34/98/06/571349806.db2.gz NGIUWONZCFTNIT-GFCCVEGCSA-N 1 1 355.416 1.060 50 0 FDAAMO CN(Cc1ccccc1)S(=O)(=O)NCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000670454852 571353575 /nfs/dbraw/zinc/35/35/75/571353575.db2.gz LWJDRPXULGXOAK-QGZVFWFLSA-N 1 1 355.504 1.047 50 0 FDAAMO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012469537 670613900 /nfs/dbraw/zinc/61/39/00/670613900.db2.gz INZDLYMWAOJWLI-INIZCTEOSA-N 1 1 359.499 1.731 50 0 FDAAMO COc1cc(Br)c(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1OC ZINC000034994444 670876044 /nfs/dbraw/zinc/87/60/44/670876044.db2.gz MMUXDJTWZKDOIZ-JTQLQIEISA-N 1 1 364.261 1.743 50 0 FDAAMO Cc1nc2sccn2c1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000107419776 671610705 /nfs/dbraw/zinc/61/07/05/671610705.db2.gz XLSSJBMYOQDRIV-GOSISDBHSA-N 1 1 361.515 1.833 50 0 FDAAMO CC[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc4cnccc43)[C@H]2C1 ZINC000292837420 676319754 /nfs/dbraw/zinc/31/97/54/676319754.db2.gz PHOLFPROAVEFPE-DLBZAZTESA-N 1 1 361.467 1.719 50 0 FDAAMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCc2n[nH]c(=O)n2CC1 ZINC000257174419 793798096 /nfs/dbraw/zinc/79/80/96/793798096.db2.gz GRONYISKAGKEHU-HNNXBMFYSA-N 1 1 356.405 1.938 50 0 FDAAMO CC(=O)N1CCc2nnc([C@H]3CC[N@@H+](Cc4ccc(C)cn4)C3)n2CC1 ZINC000257194158 794043730 /nfs/dbraw/zinc/04/37/30/794043730.db2.gz SRONAISLNCNQTF-INIZCTEOSA-N 1 1 354.458 1.376 50 0 FDAAMO CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@]2(CO)C1 ZINC000675021404 795241110 /nfs/dbraw/zinc/24/11/10/795241110.db2.gz OGEYGXMHALOYLG-AEFFLSMTSA-N 1 1 363.483 1.244 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(I)cn2)CC1 ZINC000675027333 795273611 /nfs/dbraw/zinc/27/36/11/795273611.db2.gz FGIKOELVEVVZPA-SNVBAGLBSA-N 1 1 362.215 1.213 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2ccsn2)CC1 ZINC000298551530 795776021 /nfs/dbraw/zinc/77/60/21/795776021.db2.gz LDTARERIHXXXHM-QGZVFWFLSA-N 1 1 370.478 1.879 50 0 FDAAMO O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000081293869 847322500 /nfs/dbraw/zinc/32/25/00/847322500.db2.gz SWZJMOCERPQSEX-OAHLLOKOSA-N 1 1 370.457 1.840 50 0 FDAAMO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCn4ncc(C(N)=O)c4C3)C2)C1 ZINC000332985304 848642800 /nfs/dbraw/zinc/64/28/00/848642800.db2.gz VKPMXOFNFPTFDS-FZKQIMNGSA-N 1 1 360.462 1.066 50 0 FDAAMO COC[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC(=O)N1C ZINC000257193192 864730736 /nfs/dbraw/zinc/73/07/36/864730736.db2.gz XREUNMWRCIVHEP-QZTJIDSGSA-N 1 1 359.470 1.214 50 0 FDAAMO O[C@@H]1CCC[N@H+](C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)C1 ZINC000012455505 882109574 /nfs/dbraw/zinc/10/95/74/882109574.db2.gz CEFHVDCTTFMBTP-CQSZACIVSA-N 1 1 373.461 1.039 50 0 FDAAMO C[N@H+]1CCCN(C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)CC1 ZINC000011662812 892158151 /nfs/dbraw/zinc/15/81/51/892158151.db2.gz DRPMQVPLFNEAAC-KRWDZBQOSA-N 1 1 361.461 1.771 50 0 FDAAMO O=C(Cc1ccccc1)NCc1nnc2n1CC[N@@H+]([C@@H]1CCSC1)CC2 ZINC000064167382 901870700 /nfs/dbraw/zinc/87/07/00/901870700.db2.gz SVJWXKXWFWTTSC-MRXNPFEDSA-N 1 1 371.510 1.501 50 0 FDAAMO CCS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000823413072 921833962 /nfs/dbraw/zinc/83/39/62/921833962.db2.gz UHZIZSHOCOLIDC-MRXNPFEDSA-N 1 1 353.488 1.092 50 0 FDAAMO CCSC[C@H](C)[N@H+]1CCOC2(CCN(C(=O)CCNC(C)=O)CC2)C1 ZINC000823421473 921849287 /nfs/dbraw/zinc/84/92/87/921849287.db2.gz QLMBJEREBNJEHM-HNNXBMFYSA-N 1 1 371.547 1.348 50 0 FDAAMO O=C(CCC(=O)Nc1cccc(O)c1)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000828711004 924927042 /nfs/dbraw/zinc/92/70/42/924927042.db2.gz WYBZMJWIRLFVQN-MRXNPFEDSA-N 1 1 363.458 1.464 50 0 FDAAMO CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[N@H+](C)[C@H](CCO)C1 ZINC000828747033 924932797 /nfs/dbraw/zinc/93/27/97/924932797.db2.gz AWLFGSSVDSYJRP-CYBMUJFWSA-N 1 1 353.850 1.827 50 0 FDAAMO CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC[N@@H+](C)[C@H](CCO)C1 ZINC000828747033 924932800 /nfs/dbraw/zinc/93/28/00/924932800.db2.gz AWLFGSSVDSYJRP-CYBMUJFWSA-N 1 1 353.850 1.827 50 0 FDAAMO CC[N@@H+](C1CN(C(=O)c2nn(C)c3ccccc32)C1)C1CCN(C)CC1 ZINC000581799358 927584399 /nfs/dbraw/zinc/58/43/99/927584399.db2.gz RVMUAHSQBVIKED-UHFFFAOYSA-N 1 1 355.486 1.814 50 0 FDAAMO CCN(C1CN(C(=O)c2nn(C)c3ccccc32)C1)C1CC[NH+](C)CC1 ZINC000581799358 927584408 /nfs/dbraw/zinc/58/44/08/927584408.db2.gz RVMUAHSQBVIKED-UHFFFAOYSA-N 1 1 355.486 1.814 50 0 FDAAMO COc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CC[N@H+](C)C4)C2)cc1 ZINC000581792960 927592917 /nfs/dbraw/zinc/59/29/17/927592917.db2.gz WWISZXQKEDQCQH-HNNXBMFYSA-N 1 1 355.442 1.752 50 0 FDAAMO CC(C)c1ccc(N2C[C@H](C(=O)N3CC[NH+](CCCO)CC3)CC2=O)cc1 ZINC000952862376 960193537 /nfs/dbraw/zinc/19/35/37/960193537.db2.gz PBXPBEJMGLWKCN-GOSISDBHSA-N 1 1 373.497 1.690 50 0 FDAAMO Cc1[nH+]ccn1CC(=O)NC[C@H]1CCCN(Cc2nnc(C(C)C)o2)C1 ZINC000952868504 960207780 /nfs/dbraw/zinc/20/77/80/960207780.db2.gz ABBSBVWCFCDCRO-OAHLLOKOSA-N 1 1 360.462 1.726 50 0 FDAAMO Cn1cc(CN(C(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)C2CCCCC2)cn1 ZINC000952964404 960247399 /nfs/dbraw/zinc/24/73/99/960247399.db2.gz LQXMDALMWFTFKQ-MRXNPFEDSA-N 1 1 361.490 1.279 50 0 FDAAMO Cn1cc(CN(C(=O)[C@@H]2CCC[N@@H+](CC(N)=O)C2)C2CCCCC2)cn1 ZINC000952964404 960247407 /nfs/dbraw/zinc/24/74/07/960247407.db2.gz LQXMDALMWFTFKQ-MRXNPFEDSA-N 1 1 361.490 1.279 50 0 FDAAMO Cc1cccc(N2CCC(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)CC2)c1 ZINC000952973612 960267902 /nfs/dbraw/zinc/26/79/02/960267902.db2.gz AQJCIULHWFVCAH-INIZCTEOSA-N 1 1 358.486 1.277 50 0 FDAAMO COc1ccc(-n2cnnc2)cc1NC(=O)CC[C@H](C)N1CC[NH+](C)CC1 ZINC000952979016 960278513 /nfs/dbraw/zinc/27/85/13/960278513.db2.gz LXSJYGAWPBIVKG-HNNXBMFYSA-N 1 1 372.473 1.631 50 0 FDAAMO CC(C)n1cnnc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000092066010 1007046501 /nfs/dbraw/zinc/04/65/01/1007046501.db2.gz VQXZARXGGPDJSX-FQEVSTJZSA-N 1 1 374.533 1.768 50 0 FDAAMO C[N@H+]1CCCN(c2ncccc2CNC(=O)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000216270127 222662555 /nfs/dbraw/zinc/66/25/55/222662555.db2.gz GHNPMNPXOHMLSN-SFHVURJKSA-N 1 1 372.444 1.712 50 0 FDAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1 ZINC000299770468 530029641 /nfs/dbraw/zinc/02/96/41/530029641.db2.gz UHADQLHXBFZCPO-HYVNUMGLSA-N 1 1 354.472 1.099 50 0 FDAAMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccn(C)c3=O)CC2)c1 ZINC000264221158 179053483 /nfs/dbraw/zinc/05/34/83/179053483.db2.gz JXFAGDSERBENFX-HNNXBMFYSA-N 1 1 355.438 1.913 50 0 FDAAMO CCc1[nH+]ccn1CCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000534580228 540384271 /nfs/dbraw/zinc/38/42/71/540384271.db2.gz QGDWTNLHSWECRT-INIZCTEOSA-N 1 1 359.405 1.467 50 0 FDAAMO C[C@H](CCNC(=O)N(C)Cc1ccc2nonc2c1)N1CC[NH+](C)CC1 ZINC000534647905 540393900 /nfs/dbraw/zinc/39/39/00/540393900.db2.gz YPOVKNYYRNBRGV-CQSZACIVSA-N 1 1 360.462 1.390 50 0 FDAAMO CO[C@]12CC[N@H+](CCc3ccccc3)[C@H]1C[C@H](NC(=O)CN(C)C)CC2 ZINC000534644203 540394265 /nfs/dbraw/zinc/39/42/65/540394265.db2.gz RYUVGKXUZRMZDN-SVFBPWRDSA-N 1 1 359.514 1.919 50 0 FDAAMO CO[C@]12CC[N@@H+](CCc3ccccc3)[C@H]1C[C@H](NC(=O)CN(C)C)CC2 ZINC000534644203 540394266 /nfs/dbraw/zinc/39/42/66/540394266.db2.gz RYUVGKXUZRMZDN-SVFBPWRDSA-N 1 1 359.514 1.919 50 0 FDAAMO Nc1ccnc(-c2cccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)c2)n1 ZINC000534657459 540395242 /nfs/dbraw/zinc/39/52/42/540395242.db2.gz CUTGKKTUHIXZSJ-UHFFFAOYSA-N 1 1 367.453 1.663 50 0 FDAAMO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299755713 223082099 /nfs/dbraw/zinc/08/20/99/223082099.db2.gz DJWNMNQGPCCAIY-WMZOPIPTSA-N 1 1 355.438 1.289 50 0 FDAAMO O=C(NC1CC[NH+](C2CCS(=O)(=O)CC2)CC1)c1cccn1C1CC1 ZINC000299757035 223082179 /nfs/dbraw/zinc/08/21/79/223082179.db2.gz HOQHQLXSCLQCEE-UHFFFAOYSA-N 1 1 365.499 1.594 50 0 FDAAMO O=C1NCC2(CCN(C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)O1 ZINC000299759113 223083446 /nfs/dbraw/zinc/08/34/46/223083446.db2.gz OCLOKAKCJIGNLI-SFHVURJKSA-N 1 1 359.470 1.852 50 0 FDAAMO O=C1NCC2(CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)O1 ZINC000299759113 223083451 /nfs/dbraw/zinc/08/34/51/223083451.db2.gz OCLOKAKCJIGNLI-SFHVURJKSA-N 1 1 359.470 1.852 50 0 FDAAMO COc1cccc(-n2cc([C@@H](C)NC(=O)CN3CCC[N@@H+](C)CC3)cn2)c1 ZINC000299764050 223086704 /nfs/dbraw/zinc/08/67/04/223086704.db2.gz QZBJZFLXTOPASW-MRXNPFEDSA-N 1 1 371.485 1.696 50 0 FDAAMO Cc1nc(CC(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)cs1 ZINC000299769095 223088131 /nfs/dbraw/zinc/08/81/31/223088131.db2.gz MUCKUFYRWXKKTR-HZPDHXFCSA-N 1 1 364.471 1.350 50 0 FDAAMO Cc1nc(CC(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)cs1 ZINC000299769095 223088136 /nfs/dbraw/zinc/08/81/36/223088136.db2.gz MUCKUFYRWXKKTR-HZPDHXFCSA-N 1 1 364.471 1.350 50 0 FDAAMO Cn1nc(C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)c2ccccc21 ZINC000299780659 223093562 /nfs/dbraw/zinc/09/35/62/223093562.db2.gz KTCNMFULBMWMOR-UHFFFAOYSA-N 1 1 355.486 1.863 50 0 FDAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC000299780135 223094082 /nfs/dbraw/zinc/09/40/82/223094082.db2.gz RGWZEXZAZJXBDT-LBPRGKRZSA-N 1 1 352.460 1.425 50 0 FDAAMO Cn1cc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000299792789 223098958 /nfs/dbraw/zinc/09/89/58/223098958.db2.gz GXAQQEQYZWUFDT-OAHLLOKOSA-N 1 1 356.426 1.128 50 0 FDAAMO OC1CN(c2nc(NCc3cncn3C3CC3)cc([C@@H]3CCOC3)[nH+]2)C1 ZINC000299795814 223101685 /nfs/dbraw/zinc/10/16/85/223101685.db2.gz LFCMZMLBTDOJPH-GFCCVEGCSA-N 1 1 356.430 1.305 50 0 FDAAMO Cc1cc2nc(C[N@H+]3CCCN(c4cc[nH+]c(C)c4)CC3)cc(=O)n2[n-]1 ZINC000334159671 223132693 /nfs/dbraw/zinc/13/26/93/223132693.db2.gz FQDLJALAUZYRJI-UHFFFAOYSA-N 1 1 352.442 1.747 50 0 FDAAMO COC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000012735685 220022830 /nfs/dbraw/zinc/02/28/30/220022830.db2.gz RJWOUSVYSQIGSE-AWEZNQCLSA-N 1 1 351.447 1.505 50 0 FDAAMO O=C(Cn1nnc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012759928 220025586 /nfs/dbraw/zinc/02/55/86/220025586.db2.gz FXLZETCDIGGLJD-UHFFFAOYSA-N 1 1 357.458 1.583 50 0 FDAAMO NC(=O)C[NH+]1CCC(Nc2ncnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000012822197 220033939 /nfs/dbraw/zinc/03/39/39/220033939.db2.gz UAYWEHGJPWHLAS-UHFFFAOYSA-N 1 1 369.404 1.316 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000013693053 220087066 /nfs/dbraw/zinc/08/70/66/220087066.db2.gz HCWMDKZNQGRFIV-CQSZACIVSA-N 1 1 370.453 1.322 50 0 FDAAMO Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H]([N@@H+](C)CCO)C2 ZINC000014751616 220131640 /nfs/dbraw/zinc/13/16/40/220131640.db2.gz QMDZBXTZXUHTKQ-OAHLLOKOSA-N 1 1 360.433 1.271 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1CCCc1ccccc1)NCCc1ccco1 ZINC000015067238 220144011 /nfs/dbraw/zinc/14/40/11/220144011.db2.gz TUQNSHWUBVBTKZ-IBGZPJMESA-N 1 1 369.465 1.762 50 0 FDAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CCCc1ccccc1)NCCc1ccco1 ZINC000015067238 220144014 /nfs/dbraw/zinc/14/40/14/220144014.db2.gz TUQNSHWUBVBTKZ-IBGZPJMESA-N 1 1 369.465 1.762 50 0 FDAAMO C[N@@H+](CCCNC(=O)c1cc(CN2CCOCC2)on1)C1CCCCC1 ZINC000015769503 220164059 /nfs/dbraw/zinc/16/40/59/220164059.db2.gz MLGPOVQBRWHDDW-UHFFFAOYSA-N 1 1 364.490 1.891 50 0 FDAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC000299765049 532973777 /nfs/dbraw/zinc/97/37/77/532973777.db2.gz TTZJRTKJYMWZGT-VIFPVBQESA-N 1 1 368.787 1.790 50 0 FDAAMO CC[NH+]1CCN(C2(C(=O)NCC(C)(C)CO)Cc3ccccc3C2)CC1 ZINC000019607673 220279867 /nfs/dbraw/zinc/27/98/67/220279867.db2.gz YZMTUXNPSJFBAQ-UHFFFAOYSA-N 1 1 359.514 1.296 50 0 FDAAMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000019841485 220301514 /nfs/dbraw/zinc/30/15/14/220301514.db2.gz HKTADOIWSNBFFY-UHFFFAOYSA-N 1 1 365.430 1.807 50 0 FDAAMO Cc1c(Cl)cccc1N(CC(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000019850166 220301598 /nfs/dbraw/zinc/30/15/98/220301598.db2.gz ZFSOLESHOKDDBF-UHFFFAOYSA-N 1 1 359.879 1.188 50 0 FDAAMO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)cc1 ZINC000019890078 220303230 /nfs/dbraw/zinc/30/32/30/220303230.db2.gz JRUIFWHBVYPSGG-INIZCTEOSA-N 1 1 365.499 1.170 50 0 FDAAMO C[NH+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000019902771 220303545 /nfs/dbraw/zinc/30/35/45/220303545.db2.gz GPZMYILWMOXBCY-MRXNPFEDSA-N 1 1 351.472 1.004 50 0 FDAAMO CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CC[NH+](C)CC3)=N2)cc1 ZINC000020059702 220310423 /nfs/dbraw/zinc/31/04/23/220310423.db2.gz FAMASTCHDJCXGL-MRXNPFEDSA-N 1 1 357.458 1.240 50 0 FDAAMO C[NH+]1CCN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000020568006 220334123 /nfs/dbraw/zinc/33/41/23/220334123.db2.gz YMCZGMISFJNDBJ-UHFFFAOYSA-N 1 1 373.906 1.660 50 0 FDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(C)n2cccc2c1=O ZINC000020901678 220343882 /nfs/dbraw/zinc/34/38/82/220343882.db2.gz BLIIJCNERCYPSJ-MRXNPFEDSA-N 1 1 359.474 1.575 50 0 FDAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cn3cncn3)cc2)C[C@H](C)O1 ZINC000021064662 220350460 /nfs/dbraw/zinc/35/04/60/220350460.db2.gz CSBYRSZKYOLFDC-HOTGVXAUSA-N 1 1 371.485 1.944 50 0 FDAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(-n3cncn3)cc2)C[C@@H](C)O1 ZINC000021058672 220351117 /nfs/dbraw/zinc/35/11/17/220351117.db2.gz JVPFZDZYPCOWJS-HUUCEWRRSA-N 1 1 357.458 1.885 50 0 FDAAMO Cc1ccc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1F ZINC000022005153 220374333 /nfs/dbraw/zinc/37/43/33/220374333.db2.gz ZCRWROFNAVBYHF-INIZCTEOSA-N 1 1 366.433 1.764 50 0 FDAAMO Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000022714530 220395316 /nfs/dbraw/zinc/39/53/16/220395316.db2.gz LLFNTHNLFWKGTN-UHFFFAOYSA-N 1 1 351.410 1.063 50 0 FDAAMO COc1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ncccn3)[C@H](O)C1)OCCO2 ZINC000299793021 533156132 /nfs/dbraw/zinc/15/61/32/533156132.db2.gz HVYJCKJFZKDBRI-HUUCEWRRSA-N 1 1 372.425 1.304 50 0 FDAAMO COc1cc2c(cc1C[N@H+]1CC[C@@H](Nc3ncccn3)[C@H](O)C1)OCCO2 ZINC000299793021 533156135 /nfs/dbraw/zinc/15/61/35/533156135.db2.gz HVYJCKJFZKDBRI-HUUCEWRRSA-N 1 1 372.425 1.304 50 0 FDAAMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1F ZINC000028879156 220587833 /nfs/dbraw/zinc/58/78/33/220587833.db2.gz XOANZKPCNNJQJO-NTZNESFSSA-N 1 1 360.426 1.649 50 0 FDAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1F ZINC000056110388 221078013 /nfs/dbraw/zinc/07/80/13/221078013.db2.gz FRFNGWXGXUBNMN-UHFFFAOYSA-N 1 1 371.372 1.576 50 0 FDAAMO CCN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 ZINC000055369732 221067570 /nfs/dbraw/zinc/06/75/70/221067570.db2.gz KMQZNIPIYVJDNS-AWEZNQCLSA-N 1 1 353.488 1.365 50 0 FDAAMO COc1ccc(Cl)cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000058171771 221102896 /nfs/dbraw/zinc/10/28/96/221102896.db2.gz UAMSWASNUALYED-OAHLLOKOSA-N 1 1 365.861 1.903 50 0 FDAAMO CNC(=O)NC(=O)CC[NH+]1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000058209285 221107478 /nfs/dbraw/zinc/10/74/78/221107478.db2.gz DDNOGOOYBPZXFN-OAHLLOKOSA-N 1 1 360.458 1.170 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000058145804 221099927 /nfs/dbraw/zinc/09/99/27/221099927.db2.gz ZTQNOUQAJBDHMO-CQSZACIVSA-N 1 1 373.425 1.068 50 0 FDAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000058145804 221099929 /nfs/dbraw/zinc/09/99/29/221099929.db2.gz ZTQNOUQAJBDHMO-CQSZACIVSA-N 1 1 373.425 1.068 50 0 FDAAMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccnc(NC4CC4)c3)CC2)CC1 ZINC000058265916 221111672 /nfs/dbraw/zinc/11/16/72/221111672.db2.gz CFXCSCUXIKOQHM-UHFFFAOYSA-N 1 1 371.485 1.282 50 0 FDAAMO Cn1cc(C(=O)N[C@H](C[N@H+](C)C2CCN(C)CC2)c2ccccc2)cn1 ZINC000058297344 221113761 /nfs/dbraw/zinc/11/37/61/221113761.db2.gz ZUUOENHKXIRQBE-LJQANCHMSA-N 1 1 355.486 1.917 50 0 FDAAMO Cn1cc(C(=O)N[C@H](C[N@@H+](C)C2CCN(C)CC2)c2ccccc2)cn1 ZINC000058297344 221113764 /nfs/dbraw/zinc/11/37/64/221113764.db2.gz ZUUOENHKXIRQBE-LJQANCHMSA-N 1 1 355.486 1.917 50 0 FDAAMO COCCCNC(=O)[C@@H]1C[C@@H]2CCC[N@H+]2[C@@]12c1ccccc1N(C)C2=O ZINC000062001429 221138287 /nfs/dbraw/zinc/13/82/87/221138287.db2.gz KPLAUZLMIXKUTG-UVFQYZLESA-N 1 1 357.454 1.495 50 0 biogenic FDAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(O)CCCN3CCCC[C@@H]32)C1 ZINC000063870374 221143041 /nfs/dbraw/zinc/14/30/41/221143041.db2.gz YBAOCOYROOPYBH-SHJAMOMRSA-N 1 1 357.498 1.647 50 0 FDAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(O)CCCN3CCCC[C@@H]32)C1 ZINC000063870374 221143046 /nfs/dbraw/zinc/14/30/46/221143046.db2.gz YBAOCOYROOPYBH-SHJAMOMRSA-N 1 1 357.498 1.647 50 0 FDAAMO O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)C1 ZINC000063870374 221143048 /nfs/dbraw/zinc/14/30/48/221143048.db2.gz YBAOCOYROOPYBH-SHJAMOMRSA-N 1 1 357.498 1.647 50 0 FDAAMO O=c1cccc2n1C[C@@H]1C[C@H]2CN(C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)C1 ZINC000063870374 221143050 /nfs/dbraw/zinc/14/30/50/221143050.db2.gz YBAOCOYROOPYBH-SHJAMOMRSA-N 1 1 357.498 1.647 50 0 FDAAMO O[C@@H]1CCCN(c2cc[nH+]c(NCc3csc(-c4ncccn4)n3)n2)C1 ZINC000065370716 221204230 /nfs/dbraw/zinc/20/42/30/221204230.db2.gz GJIVSPMSZDVWDL-CYBMUJFWSA-N 1 1 369.454 1.963 50 0 FDAAMO Cc1ncc(CO)c(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1O ZINC000065428914 221218644 /nfs/dbraw/zinc/21/86/44/221218644.db2.gz OKEZYBIEEWQTLR-DOTOQJQBSA-N 1 1 372.421 1.667 50 0 FDAAMO O=C(c1ccc[nH]c1=O)N1CCC[N@H+](Cc2cccc3c2OCCO3)CC1 ZINC000065504057 221228199 /nfs/dbraw/zinc/22/81/99/221228199.db2.gz AQMZXMRMCGDBTM-UHFFFAOYSA-N 1 1 369.421 1.907 50 0 FDAAMO O=C(c1ccc[nH]c1=O)N1CCC[N@@H+](Cc2cccc3c2OCCO3)CC1 ZINC000065504057 221228203 /nfs/dbraw/zinc/22/82/03/221228203.db2.gz AQMZXMRMCGDBTM-UHFFFAOYSA-N 1 1 369.421 1.907 50 0 FDAAMO Cc1nnc(SCC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)s1 ZINC000067654657 221265917 /nfs/dbraw/zinc/26/59/17/221265917.db2.gz PRZHFQAZXYBOIZ-UHFFFAOYSA-N 1 1 369.560 1.567 50 0 FDAAMO Cc1nnc(SCC(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)s1 ZINC000067654657 221265922 /nfs/dbraw/zinc/26/59/22/221265922.db2.gz PRZHFQAZXYBOIZ-UHFFFAOYSA-N 1 1 369.560 1.567 50 0 FDAAMO C[N@@H+](Cc1ccncn1)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067458628 221256428 /nfs/dbraw/zinc/25/64/28/221256428.db2.gz BYOPOYAKIGCWBX-NRFANRHFSA-N 1 1 368.481 1.895 50 0 FDAAMO NC(=O)C[NH+]1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000067604411 221262108 /nfs/dbraw/zinc/26/21/08/221262108.db2.gz HWZIBIHIXYMXJN-UHFFFAOYSA-N 1 1 355.442 1.577 50 0 FDAAMO COCC[N@@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067654420 221267080 /nfs/dbraw/zinc/26/70/80/221267080.db2.gz UFCSWXRZOKDPJN-GOSISDBHSA-N 1 1 354.422 1.266 50 0 FDAAMO CN1Cc2ccccc2C[C@H]1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000067739743 221279056 /nfs/dbraw/zinc/27/90/56/221279056.db2.gz HZKLSTPBDODZCD-SFHVURJKSA-N 1 1 351.516 1.399 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000067805807 221287952 /nfs/dbraw/zinc/28/79/52/221287952.db2.gz PIGKJVIBIRZAOC-OAHLLOKOSA-N 1 1 367.457 1.562 50 0 FDAAMO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000067805807 221287954 /nfs/dbraw/zinc/28/79/54/221287954.db2.gz PIGKJVIBIRZAOC-OAHLLOKOSA-N 1 1 367.457 1.562 50 0 FDAAMO C[N@H+]1CCCNC(=O)C12CCN(Cc1cccc(Cn3cccn3)c1)CC2 ZINC000067789477 221285347 /nfs/dbraw/zinc/28/53/47/221285347.db2.gz LUVFSNFMUNUENE-UHFFFAOYSA-N 1 1 367.497 1.718 50 0 FDAAMO CN1CCCNC(=O)C12CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000067789477 221285349 /nfs/dbraw/zinc/28/53/49/221285349.db2.gz LUVFSNFMUNUENE-UHFFFAOYSA-N 1 1 367.497 1.718 50 0 FDAAMO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CC(n3cccn3)C2)nc1 ZINC000067822095 221291537 /nfs/dbraw/zinc/29/15/37/221291537.db2.gz LWLBYCDROPDZQZ-KRWDZBQOSA-N 1 1 368.485 1.944 50 0 FDAAMO CN(CC1(CO)CC1)c1ccc(C(=O)NCC[C@H]2CCCC[N@H+]2C)cn1 ZINC000067850208 221293330 /nfs/dbraw/zinc/29/33/30/221293330.db2.gz KOMOSUKBVXOWPO-QGZVFWFLSA-N 1 1 360.502 1.895 50 0 FDAAMO Cc1c(C(=O)NCCC(C)C)nnn1-c1cccc2c1CC[N@@H+](CCO)C2 ZINC000069894480 221327868 /nfs/dbraw/zinc/32/78/68/221327868.db2.gz DDRNCPHTVMXTSY-UHFFFAOYSA-N 1 1 371.485 1.702 50 0 FDAAMO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(O)(CO)CC3)c(C)o2)c1 ZINC000071752812 221363436 /nfs/dbraw/zinc/36/34/36/221363436.db2.gz NJHPNDAHADUPBS-UHFFFAOYSA-N 1 1 362.426 1.986 50 0 FDAAMO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(C)CCCn2cccn2)[nH]1 ZINC000071752909 221364326 /nfs/dbraw/zinc/36/43/26/221364326.db2.gz GNWOJDRFXQWPBW-HOTGVXAUSA-N 1 1 358.490 1.671 50 0 FDAAMO CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)[nH]n1 ZINC000071759008 221366490 /nfs/dbraw/zinc/36/64/90/221366490.db2.gz KXBUJYIXCAHZBR-CQSZACIVSA-N 1 1 373.501 1.567 50 0 FDAAMO CCc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071759008 221366494 /nfs/dbraw/zinc/36/64/94/221366494.db2.gz KXBUJYIXCAHZBR-CQSZACIVSA-N 1 1 373.501 1.567 50 0 FDAAMO CCc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n[nH]1 ZINC000071759008 221366498 /nfs/dbraw/zinc/36/64/98/221366498.db2.gz KXBUJYIXCAHZBR-CQSZACIVSA-N 1 1 373.501 1.567 50 0 FDAAMO Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)C4CC4)CC3)C2)on1 ZINC000071774921 221375551 /nfs/dbraw/zinc/37/55/51/221375551.db2.gz JOVQCPBCXKGXPE-MRXNPFEDSA-N 1 1 374.485 1.712 50 0 FDAAMO Cc1ccc2cc(C[N@@H+]3CCOC[C@@H](O)C3)c(N3CCOCC3)nc2c1 ZINC000077319513 132180677 /nfs/dbraw/zinc/18/06/77/132180677.db2.gz OHPAIAIPKNFOPE-SFHVURJKSA-N 1 1 357.454 1.573 50 0 FDAAMO Cc1ccc2cc(C[N@H+]3CCOC[C@@H](O)C3)c(N3CCOCC3)nc2c1 ZINC000077319513 132180680 /nfs/dbraw/zinc/18/06/80/132180680.db2.gz OHPAIAIPKNFOPE-SFHVURJKSA-N 1 1 357.454 1.573 50 0 FDAAMO O=C([C@H]1CCC[N@H+](C2CCOCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000095355193 132207208 /nfs/dbraw/zinc/20/72/08/132207208.db2.gz DJTTURYUQKGQLI-INIZCTEOSA-N 1 1 359.474 1.016 50 0 FDAAMO Nc1nc(CCC[NH2+]C2CCN(c3ncnc4[nH]cnc43)CC2)cs1 ZINC000095498598 132211979 /nfs/dbraw/zinc/21/19/79/132211979.db2.gz WSGUATKKSHRGSZ-UHFFFAOYSA-N 1 1 358.475 1.583 50 0 FDAAMO Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCCOc1ccccc1F ZINC000097514903 132229651 /nfs/dbraw/zinc/22/96/51/132229651.db2.gz PMPYJUXQISPWQW-UHFFFAOYSA-N 1 1 373.432 1.485 50 0 FDAAMO CNc1cc(C)nc(N2CC[N@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)n1 ZINC000107015321 132240922 /nfs/dbraw/zinc/24/09/22/132240922.db2.gz ISEQGSMZXSXPOA-KRWDZBQOSA-N 1 1 371.485 1.909 50 0 FDAAMO CNc1cc(C)nc(N2CC[N@@H+](Cc3cccc(OC)c3)[C@@H](CCO)C2)n1 ZINC000107015321 132240924 /nfs/dbraw/zinc/24/09/24/132240924.db2.gz ISEQGSMZXSXPOA-KRWDZBQOSA-N 1 1 371.485 1.909 50 0 FDAAMO Cc1cccc(C[N@@H+]2CCN(c3ncnc4nc[nH]c43)C[C@H]2CCO)n1 ZINC000106993530 132266406 /nfs/dbraw/zinc/26/64/06/132266406.db2.gz XALZOLXRXKXASR-OAHLLOKOSA-N 1 1 353.430 1.130 50 0 FDAAMO Cc1cccc(C[N@H+]2CCN(c3ncnc4nc[nH]c43)C[C@H]2CCO)n1 ZINC000106993530 132266409 /nfs/dbraw/zinc/26/64/09/132266409.db2.gz XALZOLXRXKXASR-OAHLLOKOSA-N 1 1 353.430 1.130 50 0 FDAAMO Cc1cc(N2CCN(CCC(=O)Nc3ccc(C)c(F)c3)CC2)nc(N)[nH+]1 ZINC000243956790 132289854 /nfs/dbraw/zinc/28/98/54/132289854.db2.gz CDXGOURCDQZLCG-UHFFFAOYSA-N 1 1 372.448 1.966 50 0 FDAAMO CCn1nc(CO)c2c1CCN(c1cc([C@@H]3CCOC3)[nH+]c(NC)n1)C2 ZINC000299778555 132299584 /nfs/dbraw/zinc/29/95/84/132299584.db2.gz QQUHOHIBQFKCLV-GFCCVEGCSA-N 1 1 358.446 1.294 50 0 FDAAMO Cc1nc2c(c(N3CCC(O)(c4ccccn4)CC3)n1)CC[N@@H+](C)CC2 ZINC000065428252 136136420 /nfs/dbraw/zinc/13/64/20/136136420.db2.gz TUQWDYNSUFRBIN-UHFFFAOYSA-N 1 1 353.470 1.698 50 0 FDAAMO Cc1cnc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc1N ZINC000071576121 136139439 /nfs/dbraw/zinc/13/94/39/136139439.db2.gz VFMFRRZMBGSRIY-CQSZACIVSA-N 1 1 358.490 1.327 50 0 FDAAMO C[C@H]1CN(c2ncnc3c2CC[N@H+](Cc2cccnc2)CC3)CCN1C ZINC000072423693 136146215 /nfs/dbraw/zinc/14/62/15/136146215.db2.gz ZQZUHERJYOEWLU-INIZCTEOSA-N 1 1 352.486 1.613 50 0 FDAAMO C[C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2cccnc2)CC3)CCN1C ZINC000072423693 136146216 /nfs/dbraw/zinc/14/62/16/136146216.db2.gz ZQZUHERJYOEWLU-INIZCTEOSA-N 1 1 352.486 1.613 50 0 FDAAMO C[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2cccnc2)CC3)CCN1C ZINC000072423690 136146249 /nfs/dbraw/zinc/14/62/49/136146249.db2.gz ZQZUHERJYOEWLU-MRXNPFEDSA-N 1 1 352.486 1.613 50 0 FDAAMO C[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2cccnc2)CC3)CCN1C ZINC000072423690 136146250 /nfs/dbraw/zinc/14/62/50/136146250.db2.gz ZQZUHERJYOEWLU-MRXNPFEDSA-N 1 1 352.486 1.613 50 0 FDAAMO Nc1nc(NC2CC2)cc(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)n1 ZINC000072426188 136146382 /nfs/dbraw/zinc/14/63/82/136146382.db2.gz DVJGWAQJTIGKKU-AWEZNQCLSA-N 1 1 374.514 1.768 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072478263 136149581 /nfs/dbraw/zinc/14/95/81/136149581.db2.gz ZPGIEQGLUYBDQN-MRXNPFEDSA-N 1 1 361.490 1.279 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000179635919 258354904 /nfs/dbraw/zinc/35/49/04/258354904.db2.gz CGRVWPMNUDNJNF-MRXNPFEDSA-N 1 1 372.469 1.837 50 0 FDAAMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000179635919 258354905 /nfs/dbraw/zinc/35/49/05/258354905.db2.gz CGRVWPMNUDNJNF-MRXNPFEDSA-N 1 1 372.469 1.837 50 0 FDAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CC2)cn1 ZINC000184510605 258381688 /nfs/dbraw/zinc/38/16/88/258381688.db2.gz ZRVPBNCPSAIBGW-UHFFFAOYSA-N 1 1 369.469 1.817 50 0 FDAAMO CCn1cc(C[N@H+]2CCCN(C(=O)c3cc(=O)[nH]c(C4CC4)c3)CC2)cn1 ZINC000184510605 258381689 /nfs/dbraw/zinc/38/16/89/258381689.db2.gz ZRVPBNCPSAIBGW-UHFFFAOYSA-N 1 1 369.469 1.817 50 0 FDAAMO O=C(NCC[N@@H+]1CCCC[C@@H]1CO)Nc1cc(-n2cnnc2)ccc1F ZINC000096140127 222043942 /nfs/dbraw/zinc/04/39/42/222043942.db2.gz YGBWSMRRMQUCIY-CQSZACIVSA-N 1 1 362.409 1.375 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2ccnn2-c2ccccc2)C1 ZINC000096149558 222051587 /nfs/dbraw/zinc/05/15/87/222051587.db2.gz OJIJKDPEWNAOQV-AWEZNQCLSA-N 1 1 356.430 1.191 50 0 FDAAMO CC(C)n1nnc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)n1 ZINC000096223877 222087111 /nfs/dbraw/zinc/08/71/11/222087111.db2.gz FKBICNHMGLAAHX-UHFFFAOYSA-N 1 1 358.446 1.373 50 0 FDAAMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000097617205 222198353 /nfs/dbraw/zinc/19/83/53/222198353.db2.gz AHSGOKCYOWFJBM-UHFFFAOYSA-N 1 1 353.488 1.136 50 0 FDAAMO CC(C)(CNC(=O)[C@@H]1CCCCn2nnnc21)[N@H+]1CCc2ccccc2C1 ZINC000097819640 222214386 /nfs/dbraw/zinc/21/43/86/222214386.db2.gz DDCFGXQASAUACF-QGZVFWFLSA-N 1 1 368.485 1.894 50 0 FDAAMO O=C1NCCN2CC[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000106271307 222384964 /nfs/dbraw/zinc/38/49/64/222384964.db2.gz SVVAFJQXHZLNAC-LJQANCHMSA-N 1 1 352.438 1.277 50 0 FDAAMO O=C1NCCN2CC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000106271307 222384967 /nfs/dbraw/zinc/38/49/67/222384967.db2.gz SVVAFJQXHZLNAC-LJQANCHMSA-N 1 1 352.438 1.277 50 0 FDAAMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000329691946 259107499 /nfs/dbraw/zinc/10/74/99/259107499.db2.gz DPCKTDXRHHJJMQ-ROUUACIJSA-N 1 1 364.511 1.792 50 0 FDAAMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2cncc(OC3CCCCC3)n2)C1 ZINC000333875232 259389238 /nfs/dbraw/zinc/38/92/38/259389238.db2.gz CLDBIZXPAWCPFO-OAHLLOKOSA-N 1 1 359.474 1.589 50 0 FDAAMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnc(N)nc2)C[C@@H]1CCO ZINC000019773994 263375947 /nfs/dbraw/zinc/37/59/47/263375947.db2.gz GNWUSKXMMJSBNF-SFHVURJKSA-N 1 1 371.485 1.526 50 0 FDAAMO CCOc1ccccc1C[N@H+]1CCN(Cc2cnc(N)nc2)C[C@@H]1CCO ZINC000019773994 263375950 /nfs/dbraw/zinc/37/59/50/263375950.db2.gz GNWUSKXMMJSBNF-SFHVURJKSA-N 1 1 371.485 1.526 50 0 FDAAMO Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)cc2)c(N)[nH+]1 ZINC000426410496 263580642 /nfs/dbraw/zinc/58/06/42/263580642.db2.gz KFUIUGMBDLPHOR-XHVUQVIVSA-N 1 1 367.449 1.843 50 0 FDAAMO Cn1c(=O)c(C(=O)C[NH+]2CCCCCC2)c(N)n(Cc2ccccc2)c1=O ZINC000002638458 518245813 /nfs/dbraw/zinc/24/58/13/518245813.db2.gz HNCYBMPEXQCOGW-UHFFFAOYSA-N 1 1 370.453 1.236 50 0 FDAAMO C[C@@H](SC1=NN/C(=C2\C=c3ccccc3=[NH+]2)N1c1ccccc1)C(N)=O ZINC000006589024 518376757 /nfs/dbraw/zinc/37/67/57/518376757.db2.gz VZLDQDSZUGSXCK-MHMQGTJDSA-N 1 1 363.446 1.257 50 0 FDAAMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H](C)C2)c(=O)[nH]c1=O ZINC000007340604 518415091 /nfs/dbraw/zinc/41/50/91/518415091.db2.gz RSFWPNUSTGJGQT-CYBMUJFWSA-N 1 1 365.478 1.004 50 0 FDAAMO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)C2=O ZINC000007443444 518421190 /nfs/dbraw/zinc/42/11/90/518421190.db2.gz ZFHDWIIPLQYUBU-HPGRBHQUSA-N 1 1 350.463 1.496 50 0 FDAAMO Cn1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2c1=O ZINC000008748148 518487029 /nfs/dbraw/zinc/48/70/29/518487029.db2.gz BVCWTRIVTHECJB-INIZCTEOSA-N 1 1 362.433 1.938 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)c(=O)[nH]c1=O ZINC000010340046 518534357 /nfs/dbraw/zinc/53/43/57/518534357.db2.gz VMZXGVAWCMJMCU-AWEZNQCLSA-N 1 1 356.426 1.549 50 0 FDAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)c(=O)[nH]c1=O ZINC000010340046 518534363 /nfs/dbraw/zinc/53/43/63/518534363.db2.gz VMZXGVAWCMJMCU-AWEZNQCLSA-N 1 1 356.426 1.549 50 0 FDAAMO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000010331240 518534544 /nfs/dbraw/zinc/53/45/44/518534544.db2.gz XWJOSORXFSVHBX-HNNXBMFYSA-N 1 1 358.398 1.596 50 0 FDAAMO CC(C)[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@H]1CCC(=O)N1 ZINC000011661715 518566403 /nfs/dbraw/zinc/56/64/03/518566403.db2.gz YNTIIKKIXJBIRA-CYBMUJFWSA-N 1 1 358.398 1.954 50 0 FDAAMO CC(C)[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)C[C@H]1CCC(=O)N1 ZINC000011661715 518566410 /nfs/dbraw/zinc/56/64/10/518566410.db2.gz YNTIIKKIXJBIRA-CYBMUJFWSA-N 1 1 358.398 1.954 50 0 FDAAMO CCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000011667909 518568617 /nfs/dbraw/zinc/56/86/17/518568617.db2.gz PXEQGKOZIAQISZ-INIZCTEOSA-N 1 1 373.501 1.604 50 0 FDAAMO CN1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cn4ccccc4n3)C2)CC1 ZINC000011819208 518572831 /nfs/dbraw/zinc/57/28/31/518572831.db2.gz TUDTZTDYHXYIBS-MRXNPFEDSA-N 1 1 355.486 1.757 50 0 FDAAMO Cn1ccnc1C[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011936029 518579005 /nfs/dbraw/zinc/57/90/05/518579005.db2.gz GGPNZJBJSRABOC-GOSISDBHSA-N 1 1 364.396 1.342 50 0 FDAAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(O)cc1)CC2 ZINC000012130734 518591321 /nfs/dbraw/zinc/59/13/21/518591321.db2.gz NBUYZMRFEQHCGE-AWEZNQCLSA-N 1 1 373.457 1.256 50 0 FDAAMO Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012486502 518616499 /nfs/dbraw/zinc/61/64/99/518616499.db2.gz OOYBSGOZMBRRTC-UHFFFAOYSA-N 1 1 350.426 1.620 50 0 FDAAMO COc1ccc(-c2cc(CC(=O)NCCC[NH+]3CCOCC3)no2)cc1 ZINC000012866423 518639164 /nfs/dbraw/zinc/63/91/64/518639164.db2.gz UAPILTQZJIZQEN-UHFFFAOYSA-N 1 1 359.426 1.731 50 0 FDAAMO OCC[NH+]1CCN(C[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000022918022 518921319 /nfs/dbraw/zinc/92/13/19/518921319.db2.gz QORJGFMQASCGDC-IBGZPJMESA-N 1 1 356.466 1.703 50 0 FDAAMO OCCN1CC[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000022918022 518921324 /nfs/dbraw/zinc/92/13/24/518921324.db2.gz QORJGFMQASCGDC-IBGZPJMESA-N 1 1 356.466 1.703 50 0 FDAAMO CN1CC[NH+](CCCNC(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000022937395 518923510 /nfs/dbraw/zinc/92/35/10/518923510.db2.gz VBTDMSBZNLEKPP-UHFFFAOYSA-N 1 1 360.483 1.869 50 0 FDAAMO CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)[NH+]1CCOCC1 ZINC000022970691 518924919 /nfs/dbraw/zinc/92/49/19/518924919.db2.gz DNNIDFAZYQBNSH-HNNXBMFYSA-N 1 1 361.442 1.494 50 0 FDAAMO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H]([NH+]1CCN(C)CC1)C2 ZINC000023129435 518931411 /nfs/dbraw/zinc/93/14/11/518931411.db2.gz NBZGXSYPRORBDL-AWEZNQCLSA-N 1 1 373.526 1.516 50 0 FDAAMO CC1(C)CC[N@H+](Cc2cn(CC3CCN(C(=O)c4cn[nH]c4)CC3)nn2)C1 ZINC000023369546 518948428 /nfs/dbraw/zinc/94/84/28/518948428.db2.gz DHLSLLOOBHGAIY-UHFFFAOYSA-N 1 1 371.489 1.786 50 0 FDAAMO CC1(C)CC[N@@H+](Cc2cn(CC3CCN(C(=O)c4cn[nH]c4)CC3)nn2)C1 ZINC000023369546 518948431 /nfs/dbraw/zinc/94/84/31/518948431.db2.gz DHLSLLOOBHGAIY-UHFFFAOYSA-N 1 1 371.489 1.786 50 0 FDAAMO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000024835922 519018832 /nfs/dbraw/zinc/01/88/32/519018832.db2.gz CLELAKNAMXXCFE-GJZGRUSLSA-N 1 1 361.442 1.302 50 0 FDAAMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000024835922 519018841 /nfs/dbraw/zinc/01/88/41/519018841.db2.gz CLELAKNAMXXCFE-GJZGRUSLSA-N 1 1 361.442 1.302 50 0 FDAAMO O=C(Cc1c(F)c(F)c(F)c(F)c1F)NCCC[NH+]1CCOCC1 ZINC000025328993 519055567 /nfs/dbraw/zinc/05/55/67/519055567.db2.gz SURPUBDREBIIIT-UHFFFAOYSA-N 1 1 352.303 1.763 50 0 FDAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNC(=O)c2ccccc2F)C1 ZINC000028015485 519214012 /nfs/dbraw/zinc/21/40/12/519214012.db2.gz FPIAMMZJKSFKTR-AWEZNQCLSA-N 1 1 351.422 1.029 50 0 FDAAMO CCCNC(=O)C[NH+]1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 ZINC000029221596 519280049 /nfs/dbraw/zinc/28/00/49/519280049.db2.gz BDTHMLWLWJQXDY-SNAWJCMRSA-N 1 1 350.488 1.572 50 0 FDAAMO C[N@@H+]1CCN(C(=O)Cn2ncc3ccccc3c2=O)[C@H](c2ccccc2)C1 ZINC000029803387 519321426 /nfs/dbraw/zinc/32/14/26/519321426.db2.gz LTLDXGUJRPYNLE-IBGZPJMESA-N 1 1 362.433 1.912 50 0 FDAAMO C[N@H+]1CCN(C(=O)Cn2ncc3ccccc3c2=O)[C@H](c2ccccc2)C1 ZINC000029803387 519321432 /nfs/dbraw/zinc/32/14/32/519321432.db2.gz LTLDXGUJRPYNLE-IBGZPJMESA-N 1 1 362.433 1.912 50 0 FDAAMO Cc1cccc(C(=O)NCC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000031338701 519429732 /nfs/dbraw/zinc/42/97/32/519429732.db2.gz OLLWQZIGLBUJNB-UHFFFAOYSA-N 1 1 351.450 1.899 50 0 FDAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N(C)Cc1cnn(C)c1 ZINC000032540005 519512738 /nfs/dbraw/zinc/51/27/38/519512738.db2.gz KWBHNTQMESIMAM-QGZVFWFLSA-N 1 1 355.486 1.585 50 0 FDAAMO CCC(CC)C[NH+]1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000032578701 519514827 /nfs/dbraw/zinc/51/48/27/519514827.db2.gz QOVJLFCUXLRLTR-UHFFFAOYSA-N 1 1 352.460 1.965 50 0 FDAAMO NC(=O)C[NH+]1CCC(NC(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000032802726 519539695 /nfs/dbraw/zinc/53/96/95/519539695.db2.gz NONZUNWJKNOQGO-UHFFFAOYSA-N 1 1 370.906 1.681 50 0 FDAAMO CC[C@@]1(C)NC(=O)N(NC(=O)C[NH+]2CCC(c3ccccc3)CC2)C1=O ZINC000032909484 519549865 /nfs/dbraw/zinc/54/98/65/519549865.db2.gz ILWWYRJFYHYSMF-LJQANCHMSA-N 1 1 358.442 1.618 50 0 FDAAMO Cc1ccc(C(=O)NCC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000033028383 519564267 /nfs/dbraw/zinc/56/42/67/519564267.db2.gz PPPOXBVDCFDZKT-CQSZACIVSA-N 1 1 351.472 1.110 50 0 FDAAMO CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC[C@@H]1CCCO1 ZINC000035426928 519606468 /nfs/dbraw/zinc/60/64/68/519606468.db2.gz BAUVBXLDNZRGPD-FCLVOEFKSA-N 1 1 373.497 1.527 50 0 FDAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H](O)CN2CCOCC2)c1 ZINC000040013597 519638591 /nfs/dbraw/zinc/63/85/91/519638591.db2.gz QTZHNTONJKXWAH-CRAIPNDOSA-N 1 1 350.459 1.534 50 0 FDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000040074200 519639491 /nfs/dbraw/zinc/63/94/91/519639491.db2.gz OEXOULUZBDGWDL-LJQANCHMSA-N 1 1 355.482 1.810 50 0 FDAAMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3nccnc3N)cc2)C[C@H](C)O1 ZINC000040087461 519640001 /nfs/dbraw/zinc/64/00/01/519640001.db2.gz YQLIPABMYJEJPL-OKILXGFUSA-N 1 1 355.442 1.598 50 0 FDAAMO C[NH+]1CCN(n2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)CC1 ZINC000040387710 519642900 /nfs/dbraw/zinc/64/29/00/519642900.db2.gz NLUSPRMRAFWNAX-UHFFFAOYSA-N 1 1 360.421 1.595 50 0 FDAAMO CCC[N@H+]1CCCn2nc(CNC(=O)CN3CCCCCC3=O)cc2C1 ZINC000082096987 519855035 /nfs/dbraw/zinc/85/50/35/519855035.db2.gz LGQMUWOLAWNPNI-UHFFFAOYSA-N 1 1 361.490 1.518 50 0 FDAAMO CCOCCOc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246961789 520039426 /nfs/dbraw/zinc/03/94/26/520039426.db2.gz DKDHAYKERTZALH-CVEARBPZSA-N 1 1 368.499 1.959 50 0 FDAAMO CCN(CC)C(=O)C(=O)N[C@@H](C)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000020287645 520439625 /nfs/dbraw/zinc/43/96/25/520439625.db2.gz FBHHSMPDVJKVQG-HOCLYGCPSA-N 1 1 366.531 1.410 50 0 FDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1nnc(C)[nH]1)CC2 ZINC000091270454 520597247 /nfs/dbraw/zinc/59/72/47/520597247.db2.gz YGVMTCOORGWTJU-UHFFFAOYSA-N 1 1 371.489 1.555 50 0 FDAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000043304019 521849895 /nfs/dbraw/zinc/84/98/95/521849895.db2.gz JWBJRFYTLQDIBB-QGZVFWFLSA-N 1 1 360.502 1.370 50 0 FDAAMO C[N@H+]1CCCN(c2cnn(CCCOc3ccc(F)cc3)c(=O)c2)CC1 ZINC000072128283 522159159 /nfs/dbraw/zinc/15/91/59/522159159.db2.gz LDDVIOMFPLYGFK-UHFFFAOYSA-N 1 1 360.433 1.993 50 0 FDAAMO Cn1cnc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC000072129617 522159488 /nfs/dbraw/zinc/15/94/88/522159488.db2.gz IEJUFNURKNOCLS-KRWDZBQOSA-N 1 1 362.499 1.796 50 0 FDAAMO CC[C@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CC[N@H+]1C(C)C ZINC000072131844 522161101 /nfs/dbraw/zinc/16/11/01/522161101.db2.gz WNZUDAUYAFQESD-HNNXBMFYSA-N 1 1 357.520 1.976 50 0 FDAAMO Cc1ccc(NC(=O)[C@H]2CN(Cc3ccnc(C(C)C)n3)CC[NH2+]2)cn1 ZINC000072131946 522162141 /nfs/dbraw/zinc/16/21/41/522162141.db2.gz QQSQSQNIMCGEJF-QGZVFWFLSA-N 1 1 354.458 1.716 50 0 FDAAMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)C1 ZINC000072142113 522166640 /nfs/dbraw/zinc/16/66/40/522166640.db2.gz AMLRGYWSQNTUHY-CYBMUJFWSA-N 1 1 353.426 1.058 50 0 FDAAMO Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[N@H+]1CC[C@@H](c3ccccc3)C1)C2 ZINC000072144292 522171381 /nfs/dbraw/zinc/17/13/81/522171381.db2.gz GKCCRFGCEHDLPU-MRXNPFEDSA-N 1 1 352.438 1.453 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000072151596 522178632 /nfs/dbraw/zinc/17/86/32/522178632.db2.gz DCJPZOQFBLVRAS-UHFFFAOYSA-N 1 1 363.421 1.781 50 0 FDAAMO CCc1[nH+]ccn1CC(=O)N1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072153275 522181995 /nfs/dbraw/zinc/18/19/95/522181995.db2.gz HJIHFFVYQJGMPJ-UHFFFAOYSA-N 1 1 364.409 1.176 50 0 FDAAMO C[N@@H+](CCN1CC2(CCN(C(=O)CO)CC2)OC1=O)C1CCCCC1 ZINC000072410069 522242839 /nfs/dbraw/zinc/24/28/39/522242839.db2.gz TVVZFSPANADPLF-UHFFFAOYSA-N 1 1 353.463 1.057 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072420002 522250102 /nfs/dbraw/zinc/25/01/02/522250102.db2.gz ASCTWQKJMREHSX-MRXNPFEDSA-N 1 1 370.501 1.546 50 0 FDAAMO Cn1ncc2c1nc(-c1ccncc1)nc2NCC[N@H+]1CCCC[C@H]1CO ZINC000072423117 522257268 /nfs/dbraw/zinc/25/72/68/522257268.db2.gz CUIUCZHDKJVUFJ-HNNXBMFYSA-N 1 1 367.457 1.684 50 0 FDAAMO CCc1nc(CC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cs1 ZINC000089289909 522257500 /nfs/dbraw/zinc/25/75/00/522257500.db2.gz GDGUSBVFNKSVRV-SJORKVTESA-N 1 1 359.495 2.000 50 0 FDAAMO Cc1nnc(CNc2nc(-c3ccccn3)nc3c2CC[N@@H+](C)CC3)[nH]1 ZINC000072424988 522257854 /nfs/dbraw/zinc/25/78/54/522257854.db2.gz XWNSLGONVLEWGW-UHFFFAOYSA-N 1 1 350.430 1.608 50 0 FDAAMO Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[N@H+](C)CC3)n[nH]1 ZINC000072424988 522257862 /nfs/dbraw/zinc/25/78/62/522257862.db2.gz XWNSLGONVLEWGW-UHFFFAOYSA-N 1 1 350.430 1.608 50 0 FDAAMO Cc1nc(CNc2nc(-c3ccccn3)nc3c2CC[N@@H+](C)CC3)n[nH]1 ZINC000072424988 522257873 /nfs/dbraw/zinc/25/78/73/522257873.db2.gz XWNSLGONVLEWGW-UHFFFAOYSA-N 1 1 350.430 1.608 50 0 FDAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072426184 522258973 /nfs/dbraw/zinc/25/89/73/522258973.db2.gz RJSDQDGEGZXYBD-MRXNPFEDSA-N 1 1 373.505 1.069 50 0 FDAAMO Cc1nc[nH]c1C[N@H+]1CCc2nc(C)nc(N3CCCOCC3)c2CC1 ZINC000072440410 522279187 /nfs/dbraw/zinc/27/91/87/522279187.db2.gz ADAGDGMXZODWQQ-UHFFFAOYSA-N 1 1 356.474 1.644 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCNc2cc(-c3ccncc3)nc3ccnn32)C1 ZINC000072469055 522291228 /nfs/dbraw/zinc/29/12/28/522291228.db2.gz KIRPCAWQMSNSMR-HNNXBMFYSA-N 1 1 365.441 1.401 50 0 FDAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000072475202 522294976 /nfs/dbraw/zinc/29/49/76/522294976.db2.gz MBJRZTJLRCRHLA-OAHLLOKOSA-N 1 1 363.506 1.130 50 0 FDAAMO O=S(=O)(Cc1ccc(F)cc1)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000075162632 522887419 /nfs/dbraw/zinc/88/74/19/522887419.db2.gz VYRVPPNYQHNPIZ-UHFFFAOYSA-N 1 1 366.462 1.560 50 0 FDAAMO O=S(=O)(Cc1ccc(F)cc1)N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000075162632 522887429 /nfs/dbraw/zinc/88/74/29/522887429.db2.gz VYRVPPNYQHNPIZ-UHFFFAOYSA-N 1 1 366.462 1.560 50 0 FDAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC[N@H+](CCn3cccn3)CC2)c1 ZINC000075162631 522887950 /nfs/dbraw/zinc/88/79/50/522887950.db2.gz SHELPSDSBLRAMN-UHFFFAOYSA-N 1 1 362.499 1.897 50 0 FDAAMO Cc1ccc(C)c(S(=O)(=O)N2CCC[N@@H+](CCn3cccn3)CC2)c1 ZINC000075162631 522887960 /nfs/dbraw/zinc/88/79/60/522887960.db2.gz SHELPSDSBLRAMN-UHFFFAOYSA-N 1 1 362.499 1.897 50 0 FDAAMO CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CSC[NH2+]1 ZINC000154793056 523024170 /nfs/dbraw/zinc/02/41/70/523024170.db2.gz PKLCVIMBWBKMOI-YPMHNXCESA-N 1 1 364.389 1.566 50 0 FDAAMO CCn1c(Cn2cncn2)nnc1C1CCN(c2nc(NC)cc[nH+]2)CC1 ZINC000091391361 523207595 /nfs/dbraw/zinc/20/75/95/523207595.db2.gz FRUMZPAHQALVAP-UHFFFAOYSA-N 1 1 368.449 1.154 50 0 FDAAMO Cc1cnc(CN2C[C@]3(CCCN(C4CC[NH2+]CC4)C3)CCC2=O)cn1 ZINC000077394429 523323565 /nfs/dbraw/zinc/32/35/65/523323565.db2.gz FDMWRWBYOHSWQY-HXUWFJFHSA-N 1 1 357.502 1.742 50 0 FDAAMO COCC[N@H+](C)CC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](NC(=O)C2CC2)C1 ZINC000077437168 523334898 /nfs/dbraw/zinc/33/48/98/523334898.db2.gz XIHFVVLPAQIQPL-RBUKOAKNSA-N 1 1 373.497 1.394 50 0 FDAAMO COCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](NC(=O)C2CC2)C1 ZINC000077437168 523334908 /nfs/dbraw/zinc/33/49/08/523334908.db2.gz XIHFVVLPAQIQPL-RBUKOAKNSA-N 1 1 373.497 1.394 50 0 FDAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3ccc(C(=O)OC)o3)C2)CCC1=O ZINC000077470958 523352082 /nfs/dbraw/zinc/35/20/82/523352082.db2.gz OMIPCCDVTZDPBZ-LJQANCHMSA-N 1 1 364.442 1.917 50 0 FDAAMO COCCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CC[NH+](C)CC1 ZINC000091657325 523550690 /nfs/dbraw/zinc/55/06/90/523550690.db2.gz DZRXKFOLQCBPPL-UHFFFAOYSA-N 1 1 358.442 1.965 50 0 FDAAMO Cc1cccc(-c2ncc(C[NH2+]CCS(=O)(=O)N3CCCC3)cn2)c1 ZINC000055568992 523826102 /nfs/dbraw/zinc/82/61/02/523826102.db2.gz HIJBXXKXNNOBFB-UHFFFAOYSA-N 1 1 360.483 1.967 50 0 FDAAMO CN(C)CC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@H]1CO ZINC000091445049 524061257 /nfs/dbraw/zinc/06/12/57/524061257.db2.gz JQKSGLIKOPJBEH-HUUCEWRRSA-N 1 1 369.456 1.068 50 0 FDAAMO CN(CC[NH+](C)C)C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@@H]1CO ZINC000091445049 524061258 /nfs/dbraw/zinc/06/12/58/524061258.db2.gz JQKSGLIKOPJBEH-HUUCEWRRSA-N 1 1 369.456 1.068 50 0 FDAAMO Cc1cccc(C)c1C[N@H+]1CCCn2nc(CNS(C)(=O)=O)cc2C1 ZINC000082120814 524213841 /nfs/dbraw/zinc/21/38/41/524213841.db2.gz RVKWVRRJMSFDEE-UHFFFAOYSA-N 1 1 362.499 1.955 50 0 FDAAMO CC[N@H+]1CCC[C@H](CN2CCCn3nc(CNC(=O)N(C)C)cc3C2)C1 ZINC000082166924 524218905 /nfs/dbraw/zinc/21/89/05/524218905.db2.gz KWQGXAZTJSUIAU-INIZCTEOSA-N 1 1 362.522 1.592 50 0 FDAAMO CC[N@@H+]1CCO[C@@H](C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1 ZINC000174549283 524626003 /nfs/dbraw/zinc/62/60/03/524626003.db2.gz QCBMSHHKZRZZQD-LJQANCHMSA-N 1 1 371.481 1.791 50 0 FDAAMO CC[N@H+]1CCO[C@@H](C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1 ZINC000174549283 524626008 /nfs/dbraw/zinc/62/60/08/524626008.db2.gz QCBMSHHKZRZZQD-LJQANCHMSA-N 1 1 371.481 1.791 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)[nH]n1 ZINC000091321203 524690873 /nfs/dbraw/zinc/69/08/73/524690873.db2.gz IDXRWDKXKYYGKR-HNNXBMFYSA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)n[nH]1 ZINC000091321203 524690880 /nfs/dbraw/zinc/69/08/80/524690880.db2.gz IDXRWDKXKYYGKR-HNNXBMFYSA-N 1 1 359.474 1.267 50 0 FDAAMO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)n[nH]1 ZINC000091321203 524690887 /nfs/dbraw/zinc/69/08/87/524690887.db2.gz IDXRWDKXKYYGKR-HNNXBMFYSA-N 1 1 359.474 1.267 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1COc3ccccc3C1)CC2 ZINC000091475376 524712688 /nfs/dbraw/zinc/71/26/88/524712688.db2.gz BWFQPQKWYIRZQO-INIZCTEOSA-N 1 1 366.465 1.967 50 0 FDAAMO COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](CC[C@H](C)SC)CC2 ZINC000091493243 524716997 /nfs/dbraw/zinc/71/69/97/524716997.db2.gz TXRJZSHGJRCLHO-AWEZNQCLSA-N 1 1 366.531 1.874 50 0 FDAAMO NC(=O)[C@H]1CCC[N@@H+](CCn2cc(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000091587136 524733744 /nfs/dbraw/zinc/73/37/44/524733744.db2.gz TZBRXBCHRQUZGS-LBPRGKRZSA-N 1 1 351.813 1.935 50 0 FDAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 ZINC000091620177 524744297 /nfs/dbraw/zinc/74/42/97/524744297.db2.gz HQDKRIAOALAGIL-MAUKXSAKSA-N 1 1 357.454 1.325 50 0 FDAAMO Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C1CC[NH+](CC(N)=O)CC1 ZINC000091625026 524745409 /nfs/dbraw/zinc/74/54/09/524745409.db2.gz HQOCQDCPFCKNIR-KRWDZBQOSA-N 1 1 369.469 1.434 50 0 FDAAMO CN(C)C(=O)N1CC[C@]2(O)CC[N@@H+](Cc3cccc4nonc43)C[C@@H]2C1 ZINC000091635431 524749966 /nfs/dbraw/zinc/74/99/66/524749966.db2.gz GXBLSNIEJVCSQW-RDTXWAMCSA-N 1 1 359.430 1.163 50 0 FDAAMO C[NH+]1CCN(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)CC1 ZINC000091755570 524775940 /nfs/dbraw/zinc/77/59/40/524775940.db2.gz VVHZTYXCIHLIJS-UHFFFAOYSA-N 1 1 368.485 1.873 50 0 FDAAMO C[N@@H+](CCO)C[C@@H]1CN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1CO ZINC000091792929 524784329 /nfs/dbraw/zinc/78/43/29/524784329.db2.gz IXYKXTCOVDQALZ-QZTJIDSGSA-N 1 1 350.507 1.422 50 0 FDAAMO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](CCOCc1ccccc1)C2 ZINC000091819377 524790274 /nfs/dbraw/zinc/79/02/74/524790274.db2.gz PRFQRXZMBSOQKU-QZTJIDSGSA-N 1 1 367.515 1.406 50 0 FDAAMO Cc1ncc(C(=O)N2CC[NH+](CCCOc3ccc(F)cc3)CC2)c(=O)[nH]1 ZINC000091876921 524805426 /nfs/dbraw/zinc/80/54/26/524805426.db2.gz GDPVAWUYIJUWHM-UHFFFAOYSA-N 1 1 374.416 1.444 50 0 FDAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)o2)CC[C@@]1(O)C1CCOCC1 ZINC000091966663 524821523 /nfs/dbraw/zinc/82/15/23/524821523.db2.gz YULBXEOYPBEIRP-KUHUBIRLSA-N 1 1 350.459 1.981 50 0 FDAAMO CC[N@@H+](C)CC(=O)N1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000091988511 524825849 /nfs/dbraw/zinc/82/58/49/524825849.db2.gz KURPFLNMMRAGBF-UHFFFAOYSA-N 1 1 371.489 1.516 50 0 FDAAMO Cc1ccnn1CC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@@H+]2CC(C)C ZINC000092019917 524831636 /nfs/dbraw/zinc/83/16/36/524831636.db2.gz WOEFXIWAJWJATJ-UHFFFAOYSA-N 1 1 370.501 1.947 50 0 FDAAMO COc1ccnc(C[N@H+]2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)c1OC ZINC000299785398 524832198 /nfs/dbraw/zinc/83/21/98/524832198.db2.gz ZJQTYTLQIUNATM-MVWRLGRASA-N 1 1 364.442 1.087 50 0 FDAAMO C[N@@H+]1CC[C@H]2C[NH+](Cc3cnn(-c4cccc(F)c4)c3)C[C@@]2(C(=O)[O-])C1 ZINC000092037520 524832455 /nfs/dbraw/zinc/83/24/55/524832455.db2.gz CJWSRAYVZYXDAT-KXBFYZLASA-N 1 1 358.417 1.850 50 0 FDAAMO C[N@H+]1CC[C@H]2C[NH+](Cc3cnn(-c4cccc(F)c4)c3)C[C@@]2(C(=O)[O-])C1 ZINC000092037520 524832464 /nfs/dbraw/zinc/83/24/64/524832464.db2.gz CJWSRAYVZYXDAT-KXBFYZLASA-N 1 1 358.417 1.850 50 0 FDAAMO C[NH+]1CC[C@H]2C[N@H+](Cc3cnn(-c4cccc(F)c4)c3)C[C@@]2(C(=O)[O-])C1 ZINC000092037520 524832472 /nfs/dbraw/zinc/83/24/72/524832472.db2.gz CJWSRAYVZYXDAT-KXBFYZLASA-N 1 1 358.417 1.850 50 0 FDAAMO C[NH+]1CC[C@H]2C[N@@H+](Cc3cnn(-c4cccc(F)c4)c3)C[C@@]2(C(=O)[O-])C1 ZINC000092037520 524832482 /nfs/dbraw/zinc/83/24/82/524832482.db2.gz CJWSRAYVZYXDAT-KXBFYZLASA-N 1 1 358.417 1.850 50 0 FDAAMO CCOc1cccc(C[N@@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1 ZINC000092045529 524834447 /nfs/dbraw/zinc/83/44/47/524834447.db2.gz ADWVTROZIARCAI-UHFFFAOYSA-N 1 1 372.469 1.950 50 0 FDAAMO CCOc1cccc(C[N@H+]2CCCn3nc(CNC(=O)COC)cc3C2)c1 ZINC000092045529 524834454 /nfs/dbraw/zinc/83/44/54/524834454.db2.gz ADWVTROZIARCAI-UHFFFAOYSA-N 1 1 372.469 1.950 50 0 FDAAMO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000092046826 524835069 /nfs/dbraw/zinc/83/50/69/524835069.db2.gz SEDGZVRZSRLKLO-IAGOWNOFSA-N 1 1 350.434 1.076 50 0 FDAAMO COc1cccc(C(=O)N2CCC(C(=O)N3CCc4nc[nH]c4C3)CC2)c1 ZINC000095353273 525027052 /nfs/dbraw/zinc/02/70/52/525027052.db2.gz YRVPBRRDWGBHKW-UHFFFAOYSA-N 1 1 368.437 1.855 50 0 FDAAMO O=C(c1ccn(C(F)F)n1)N1C[C@H]2CC[C@@H]1C[N@H+](C1CCOCC1)C2 ZINC000095361123 525036243 /nfs/dbraw/zinc/03/62/43/525036243.db2.gz GHCWPUKEDFLSJA-GXTWGEPZSA-N 1 1 354.401 1.994 50 0 FDAAMO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000095365921 525042693 /nfs/dbraw/zinc/04/26/93/525042693.db2.gz JASYXMWAQKJANP-ZWKOTPCHSA-N 1 1 353.470 1.897 50 0 FDAAMO C[NH+]1CCN(C[C@@H]2CN(C(=O)CCc3ccccc3F)C[C@@H]2CO)CC1 ZINC000095381929 525054081 /nfs/dbraw/zinc/05/40/81/525054081.db2.gz RKEMUIGFIKSXGP-QZTJIDSGSA-N 1 1 363.477 1.073 50 0 FDAAMO C[C@@H]1CN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC[N@H+]1C ZINC000020210739 525064566 /nfs/dbraw/zinc/06/45/66/525064566.db2.gz LYOPWXBFCGOPLR-MRXNPFEDSA-N 1 1 353.470 1.980 50 0 FDAAMO CSC[C@@H](CCO)Nc1nc(N[C@@H](CCO)CSC)[nH+]cc1C ZINC000095409761 525068228 /nfs/dbraw/zinc/06/82/28/525068228.db2.gz KQMGKWQYDRVZFE-OLZOCXBDSA-N 1 1 360.549 1.837 50 0 FDAAMO CC[N@@H+](Cc1cccc(OC)c1OC[C@H](O)CN1CCOCC1)C1CC1 ZINC000095497072 525080835 /nfs/dbraw/zinc/08/08/35/525080835.db2.gz IZKMNJOLXSBJBE-GOSISDBHSA-N 1 1 364.486 1.751 50 0 FDAAMO CC[N@H+](C)Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)OC)CC2)cc1 ZINC000095503126 525084748 /nfs/dbraw/zinc/08/47/48/525084748.db2.gz SJMHHGKTFCVCLT-SFHVURJKSA-N 1 1 364.486 1.763 50 0 FDAAMO CC[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CCC(C(=O)OC)CC2)cc1 ZINC000095503126 525084757 /nfs/dbraw/zinc/08/47/57/525084757.db2.gz SJMHHGKTFCVCLT-SFHVURJKSA-N 1 1 364.486 1.763 50 0 FDAAMO NC(=O)Cn1cc[nH+]c1C1CCN(c2nc(-c3ccccc3)no2)CC1 ZINC000095510347 525092980 /nfs/dbraw/zinc/09/29/80/525092980.db2.gz SECIUNJAOYKUIB-UHFFFAOYSA-N 1 1 352.398 1.802 50 0 FDAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(c1nnnn1-c1ccccc1)CC2 ZINC000095519349 525096497 /nfs/dbraw/zinc/09/64/97/525096497.db2.gz QGMSLGOHNWDNHN-UHFFFAOYSA-N 1 1 350.430 1.369 50 0 FDAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(c1nnnn1-c1ccccc1)CC2 ZINC000095519349 525096504 /nfs/dbraw/zinc/09/65/04/525096504.db2.gz QGMSLGOHNWDNHN-UHFFFAOYSA-N 1 1 350.430 1.369 50 0 FDAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc[nH]c1=O)CC2 ZINC000095521681 525099168 /nfs/dbraw/zinc/09/91/68/525099168.db2.gz JMTWLZZTCAFHOP-UHFFFAOYSA-N 1 1 355.442 1.498 50 0 FDAAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC000095524570 525101229 /nfs/dbraw/zinc/10/12/29/525101229.db2.gz FPSGSCXAWYKGHF-WIYYLYMNSA-N 1 1 374.481 1.868 50 0 FDAAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](CC(=O)N3CCCCCC3)C[C@H]21 ZINC000095524570 525101237 /nfs/dbraw/zinc/10/12/37/525101237.db2.gz FPSGSCXAWYKGHF-WIYYLYMNSA-N 1 1 374.481 1.868 50 0 FDAAMO [NH3+]CCNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000095530471 525107873 /nfs/dbraw/zinc/10/78/73/525107873.db2.gz OZWLVLQRJQEUPY-UHFFFAOYSA-N 1 1 354.454 1.814 50 0 FDAAMO c1csc(-c2n[nH]cc2C[NH+]2CCN(c3cnn4cnnc4c3)CC2)c1 ZINC000097077510 525169644 /nfs/dbraw/zinc/16/96/44/525169644.db2.gz HGCCCMXRHIXOJL-UHFFFAOYSA-N 1 1 366.454 1.898 50 0 FDAAMO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCC[NH+]1CCOCC1)CO2 ZINC000020379997 526134341 /nfs/dbraw/zinc/13/43/41/526134341.db2.gz ULHKMYDRQVYAST-UHFFFAOYSA-N 1 1 370.453 1.589 50 0 FDAAMO Cc1nn(CCO)cc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091636634 526281422 /nfs/dbraw/zinc/28/14/22/526281422.db2.gz AATASBOVORJDOD-FXAWDEMLSA-N 1 1 355.486 1.675 50 0 FDAAMO O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccoc3)CC2)C1)N1CCOCC1 ZINC000082126737 526467193 /nfs/dbraw/zinc/46/71/93/526467193.db2.gz YWUQDYOCJCWQEZ-GOSISDBHSA-N 1 1 361.486 1.815 50 0 FDAAMO O=C(c1c[nH]nc1-c1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000091435088 526583888 /nfs/dbraw/zinc/58/38/88/526583888.db2.gz QYGKIJXYMLLPJQ-IAGOWNOFSA-N 1 1 370.453 1.089 50 0 FDAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000252444044 526802033 /nfs/dbraw/zinc/80/20/33/526802033.db2.gz VWHBBNYZHLFHNZ-GJZGRUSLSA-N 1 1 362.474 1.784 50 0 FDAAMO NC(=O)C1CC[NH+](CC(=O)N[C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000091585766 526858033 /nfs/dbraw/zinc/85/80/33/526858033.db2.gz JFDQUUITXBJHGC-CQSZACIVSA-N 1 1 374.268 1.340 50 0 FDAAMO O=C(N[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1c1ccccc1)C1CCC1 ZINC000091270585 527073648 /nfs/dbraw/zinc/07/36/48/527073648.db2.gz IOCJRCFISINTFG-MOPGFXCFSA-N 1 1 355.482 1.993 50 0 FDAAMO [NH3+]CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCc2cc(C3CC3)[nH]n2)s1 ZINC000020774187 527157301 /nfs/dbraw/zinc/15/73/01/527157301.db2.gz JXBYQRYCCJBSRX-AWEZNQCLSA-N 1 1 373.482 1.901 50 0 FDAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1cccnc1 ZINC000019897330 527409410 /nfs/dbraw/zinc/40/94/10/527409410.db2.gz ZCSKNEKMYBONIV-UHFFFAOYSA-N 1 1 368.437 1.786 50 0 FDAAMO CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCSc1ccc(Cl)cc1 ZINC000299798317 527715894 /nfs/dbraw/zinc/71/58/94/527715894.db2.gz RKRLQLHDWOVTGN-CQSZACIVSA-N 1 1 355.891 1.759 50 0 FDAAMO CC[N@H+]1CCNC(=O)[C@H]1CC(=O)NCCSc1ccc(Cl)cc1 ZINC000299798317 527715900 /nfs/dbraw/zinc/71/59/00/527715900.db2.gz RKRLQLHDWOVTGN-CQSZACIVSA-N 1 1 355.891 1.759 50 0 FDAAMO CCCN1CCC([NH2+][C@@H]2C[C@@H](C(=O)NC)N(Cc3ccccc3)C2)CC1 ZINC000299764325 528204733 /nfs/dbraw/zinc/20/47/33/528204733.db2.gz RPWBFIWNCLCYIN-UXHICEINSA-N 1 1 358.530 1.840 50 0 FDAAMO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C(=O)NC)N(Cc3ccccc3)C2)CC1 ZINC000299764325 528204737 /nfs/dbraw/zinc/20/47/37/528204737.db2.gz RPWBFIWNCLCYIN-UXHICEINSA-N 1 1 358.530 1.840 50 0 FDAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC000072160985 537071492 /nfs/dbraw/zinc/07/14/92/537071492.db2.gz JMTJDIGJSDOLSF-SFHVURJKSA-N 1 1 372.513 1.560 50 0 FDAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(CC(=O)NC3CC3)C2)CC1 ZINC000072160985 537071495 /nfs/dbraw/zinc/07/14/95/537071495.db2.gz JMTJDIGJSDOLSF-SFHVURJKSA-N 1 1 372.513 1.560 50 0 FDAAMO COc1cccc(C(=O)[C@@H]2CCCN(c3cc(NCCO)[nH+]cn3)C2)c1 ZINC000071524380 537088317 /nfs/dbraw/zinc/08/83/17/537088317.db2.gz FZRVPYCWVPBBHP-OAHLLOKOSA-N 1 1 356.426 1.989 50 0 FDAAMO CC(=O)N1CCc2nnc([C@H]3CC[N@@H+](Cc4ccc(O)cc4)C3)n2CC1 ZINC000257190674 537252829 /nfs/dbraw/zinc/25/28/29/537252829.db2.gz NJRPCMMOXMNGCQ-INIZCTEOSA-N 1 1 355.442 1.378 50 0 FDAAMO Cc1c[nH+]c(C[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1C(C)C ZINC000257189371 537252884 /nfs/dbraw/zinc/25/28/84/537252884.db2.gz NSRASZUXSVKSPE-CQSZACIVSA-N 1 1 351.476 1.759 50 0 FDAAMO C[N@H+]1CCN2CCN(Cc3ccc(OCCn4ccnc4)cc3)C[C@@H]2C1 ZINC000215626516 537439592 /nfs/dbraw/zinc/43/95/92/537439592.db2.gz IHMRZAUBQQJDQE-IBGZPJMESA-N 1 1 355.486 1.394 50 0 FDAAMO COc1ccccc1-n1cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cn1 ZINC000216078130 537447057 /nfs/dbraw/zinc/44/70/57/537447057.db2.gz QBAAAXMFQABGCW-UHFFFAOYSA-N 1 1 364.471 1.395 50 0 FDAAMO Cn1cnc2cc(C(=O)NC3(C[NH+]4CCOCC4)CCCC3)ccc2c1=O ZINC000216389576 537448203 /nfs/dbraw/zinc/44/82/03/537448203.db2.gz GVRWHVMVDNALKL-UHFFFAOYSA-N 1 1 370.453 1.308 50 0 FDAAMO Nc1nc(C2CC(O)C2)cc(N2CCC[N@H+](Cc3ccccn3)CC2)n1 ZINC000219012496 537471599 /nfs/dbraw/zinc/47/15/99/537471599.db2.gz NFHNUEKPRMWULN-UHFFFAOYSA-N 1 1 354.458 1.404 50 0 FDAAMO Nc1nc(C2CC(O)C2)cc(N2CCC[N@@H+](Cc3ccccn3)CC2)n1 ZINC000219012496 537471602 /nfs/dbraw/zinc/47/16/02/537471602.db2.gz NFHNUEKPRMWULN-UHFFFAOYSA-N 1 1 354.458 1.404 50 0 FDAAMO Cc1nnnn1CCC(=O)N[C@H](CCn1cc[nH+]c1C)c1ccccc1 ZINC000219959542 537483475 /nfs/dbraw/zinc/48/34/75/537483475.db2.gz SQBZFOFMKBWOFC-QGZVFWFLSA-N 1 1 353.430 1.824 50 0 FDAAMO CCc1[nH+]ccn1CCCNC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000223434317 537527039 /nfs/dbraw/zinc/52/70/39/537527039.db2.gz LZJBZGRHAZYEPC-UHFFFAOYSA-N 1 1 369.469 1.899 50 0 FDAAMO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000244678665 537650279 /nfs/dbraw/zinc/65/02/79/537650279.db2.gz IHUKYLYVNNJAEZ-NRFANRHFSA-N 1 1 373.497 1.939 50 0 FDAAMO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1 ZINC000244678665 537650283 /nfs/dbraw/zinc/65/02/83/537650283.db2.gz IHUKYLYVNNJAEZ-NRFANRHFSA-N 1 1 373.497 1.939 50 0 FDAAMO CC(C)Oc1ccccc1OCCN1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000244723483 537651173 /nfs/dbraw/zinc/65/11/73/537651173.db2.gz MCLSKBRQXQDXSJ-ROUUACIJSA-N 1 1 364.486 1.620 50 0 FDAAMO CC(C)Oc1ccccc1OCC[N@@H+]1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000244723483 537651179 /nfs/dbraw/zinc/65/11/79/537651179.db2.gz MCLSKBRQXQDXSJ-ROUUACIJSA-N 1 1 364.486 1.620 50 0 FDAAMO CCn1nc(C)c(NC(=O)C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1C ZINC000244719128 537651503 /nfs/dbraw/zinc/65/15/03/537651503.db2.gz LXMMJRVHWBOYJE-UHFFFAOYSA-N 1 1 368.445 1.770 50 0 FDAAMO CCn1nc(C)c(NC(=O)C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1C ZINC000244719128 537651506 /nfs/dbraw/zinc/65/15/06/537651506.db2.gz LXMMJRVHWBOYJE-UHFFFAOYSA-N 1 1 368.445 1.770 50 0 FDAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000244796161 537653254 /nfs/dbraw/zinc/65/32/54/537653254.db2.gz RUDPEQULQDHMEK-MRXNPFEDSA-N 1 1 357.458 1.112 50 0 FDAAMO Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(CO)n2C)C1 ZINC000244796161 537653258 /nfs/dbraw/zinc/65/32/58/537653258.db2.gz RUDPEQULQDHMEK-MRXNPFEDSA-N 1 1 357.458 1.112 50 0 FDAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1ccc2nccnc2c1 ZINC000244817184 537653684 /nfs/dbraw/zinc/65/36/84/537653684.db2.gz SVSGYVCYOPCYBX-IEBWSBKVSA-N 1 1 363.421 1.390 50 0 FDAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1ccc2nccnc2c1 ZINC000244817184 537653685 /nfs/dbraw/zinc/65/36/85/537653685.db2.gz SVSGYVCYOPCYBX-IEBWSBKVSA-N 1 1 363.421 1.390 50 0 FDAAMO CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)o1 ZINC000426647441 538425722 /nfs/dbraw/zinc/42/57/22/538425722.db2.gz ZMLJXUQPOUFBPM-HUUCEWRRSA-N 1 1 363.414 1.648 50 0 FDAAMO CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)o1 ZINC000426647441 538425725 /nfs/dbraw/zinc/42/57/25/538425725.db2.gz ZMLJXUQPOUFBPM-HUUCEWRRSA-N 1 1 363.414 1.648 50 0 FDAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(-c2cnc3nncn3c2)cc1 ZINC000584895712 551566510 /nfs/dbraw/zinc/56/65/10/551566510.db2.gz MNHQEOMRYMZRKF-IRXDYDNUSA-N 1 1 366.425 1.240 50 0 FDAAMO CC(C)C[N@H+]1CCN(C(=O)NCCc2noc(C(C)C)n2)C[C@H]1CCO ZINC000584904216 551568010 /nfs/dbraw/zinc/56/80/10/551568010.db2.gz CWRZVYRWOJCKNJ-OAHLLOKOSA-N 1 1 367.494 1.470 50 0 FDAAMO C/C=C1/C[N@@H+]2[C@@H]3C[C@]45c6ccccc6N[C@H]4[C@@H]2C[C@H]1[C@@]3(C(=O)OC)[C@H]5O ZINC000252310899 574421026 /nfs/dbraw/zinc/42/10/26/574421026.db2.gz RLUORQGMBKDXPO-CONCOOHZSA-N 1 1 352.434 1.675 50 0 endogenous,in-man FDAAMO C/C=C1/C[N@H+]2[C@@H]3C[C@]45c6ccccc6N[C@H]4[C@@H]2C[C@H]1[C@@]3(C(=O)OC)[C@H]5O ZINC000252310899 574421027 /nfs/dbraw/zinc/42/10/27/574421027.db2.gz RLUORQGMBKDXPO-CONCOOHZSA-N 1 1 352.434 1.675 50 0 endogenous,in-man FDAAMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000408517302 570564495 /nfs/dbraw/zinc/56/44/95/570564495.db2.gz GAKZTPKWOCMLAX-INIZCTEOSA-N 1 1 367.497 1.872 50 0 FDAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(C/C=C\c4ccccc4)c(=O)n3C)n2C1 ZINC000103412678 570849215 /nfs/dbraw/zinc/84/92/15/570849215.db2.gz AIRNPWTTXFUAPB-YFHOEESVSA-N 1 1 364.409 1.436 50 0 FDAAMO CC(=O)Nc1nc(C(=O)NCc2ccnc(-n3cc[nH+]c3C)c2)cs1 ZINC000047014543 570878651 /nfs/dbraw/zinc/87/86/51/570878651.db2.gz CQOJCYGVWQHWGP-UHFFFAOYSA-N 1 1 356.411 1.921 50 0 FDAAMO COc1ccccc1[C@@H](C)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000046227133 571064154 /nfs/dbraw/zinc/06/41/54/571064154.db2.gz VFNXEWBULGMOBE-OAHLLOKOSA-N 1 1 362.474 1.562 50 0 FDAAMO COc1ccccc1[C@H](C)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000046227132 571064311 /nfs/dbraw/zinc/06/43/11/571064311.db2.gz VFNXEWBULGMOBE-HNNXBMFYSA-N 1 1 362.474 1.562 50 0 FDAAMO Cc1scc(CCNC(=O)CC[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000244718909 571115339 /nfs/dbraw/zinc/11/53/39/571115339.db2.gz LTEAQQOGHHRPKK-OAHLLOKOSA-N 1 1 358.529 1.533 50 0 FDAAMO Cc1scc(CCNC(=O)CC[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1C ZINC000244718909 571115341 /nfs/dbraw/zinc/11/53/41/571115341.db2.gz LTEAQQOGHHRPKK-OAHLLOKOSA-N 1 1 358.529 1.533 50 0 FDAAMO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(c2nnc(CO)n2C)CC1 ZINC000244882700 571119136 /nfs/dbraw/zinc/11/91/36/571119136.db2.gz XWUJDWGWTPWYSM-AWEZNQCLSA-N 1 1 369.469 1.465 50 0 FDAAMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 ZINC000046380078 571121719 /nfs/dbraw/zinc/12/17/19/571121719.db2.gz HQQSNVFFXFKGTQ-INIZCTEOSA-N 1 1 374.485 1.592 50 0 FDAAMO O=C1C[C@H]([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N1c1ccccc1 ZINC000250640183 571129792 /nfs/dbraw/zinc/12/97/92/571129792.db2.gz DCBZXACSCPTDER-VKJFTORMSA-N 1 1 363.417 1.600 50 0 FDAAMO O=C1C[C@H]([N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N1c1ccccc1 ZINC000250640183 571129794 /nfs/dbraw/zinc/12/97/94/571129794.db2.gz DCBZXACSCPTDER-VKJFTORMSA-N 1 1 363.417 1.600 50 0 FDAAMO Cc1ccc(C)c(CNc2cc([C@H]3CCOC3)[nH+]c(N3CC(O)C3)n2)c1 ZINC000426634117 571132435 /nfs/dbraw/zinc/13/24/35/571132435.db2.gz FWEPHZIBZLLLMK-HNNXBMFYSA-N 1 1 354.454 2.390 50 0 FDAAMO COc1ccccc1CN1CCN(c2cc([C@H]3CCOC3)[nH+]c(N)n2)CC1 ZINC000426380184 571135571 /nfs/dbraw/zinc/13/55/71/571135571.db2.gz XFWABOQYQOQUFN-INIZCTEOSA-N 1 1 369.469 1.894 50 0 FDAAMO Cc1nc(CCNc2cc([C@@H]3CCOC3)[nH+]c(N)n2)nc2c1CCCC2 ZINC000426545052 571138098 /nfs/dbraw/zinc/13/80/98/571138098.db2.gz LOVDHOGOSLWTQV-CYBMUJFWSA-N 1 1 354.458 1.616 50 0 FDAAMO CCc1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)ccn1 ZINC000091859359 571197451 /nfs/dbraw/zinc/19/74/51/571197451.db2.gz OLWSMRXKADQKPF-FQEVSTJZSA-N 1 1 358.486 1.803 50 0 FDAAMO Cc1[nH+]ccn1CCNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000426358675 571214823 /nfs/dbraw/zinc/21/48/23/571214823.db2.gz USUWUHHJYCZDDQ-UHFFFAOYSA-N 1 1 369.469 1.930 50 0 FDAAMO COc1cc(CNC(=O)N2CC[N@@H+](CC3CC3)[C@@H](CCO)C2)ccc1O ZINC000426399434 571220322 /nfs/dbraw/zinc/22/03/22/571220322.db2.gz QNSRPAJAXRIARU-INIZCTEOSA-N 1 1 363.458 1.389 50 0 FDAAMO Cc1cc(=O)c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1C ZINC000426412218 571221569 /nfs/dbraw/zinc/22/15/69/571221569.db2.gz IAWRULSODLCVGF-GOSISDBHSA-N 1 1 369.465 1.715 50 0 FDAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSc1ccc2nnc(C(C)C)n2n1 ZINC000524735046 571259224 /nfs/dbraw/zinc/25/92/24/571259224.db2.gz QLEKZNJPOBMIKM-CYBMUJFWSA-N 1 1 362.503 1.940 50 0 FDAAMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1C[C@@]1(O)CCCOC1 ZINC000585091637 571320333 /nfs/dbraw/zinc/32/03/33/571320333.db2.gz CQAQFHJQWYFECQ-PMACEKPBSA-N 1 1 373.453 1.115 50 0 FDAAMO O=S(=O)(NCC[N@H+]1CCC[C@@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000670467864 571359304 /nfs/dbraw/zinc/35/93/04/571359304.db2.gz WMOAGEDGLJVACM-LLVKDONJSA-N 1 1 367.298 1.976 50 0 FDAAMO O=S(=O)(NCC[N@@H+]1CCC[C@@H](CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000670467864 571359305 /nfs/dbraw/zinc/35/93/05/571359305.db2.gz WMOAGEDGLJVACM-LLVKDONJSA-N 1 1 367.298 1.976 50 0 FDAAMO Nc1n[nH]c(CCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072481366 671393608 /nfs/dbraw/zinc/39/36/08/671393608.db2.gz RDNQLHOKIGCVPJ-CQSZACIVSA-N 1 1 362.865 1.754 50 0 FDAAMO Nc1n[nH]c(CCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072481366 671393611 /nfs/dbraw/zinc/39/36/11/671393611.db2.gz RDNQLHOKIGCVPJ-CQSZACIVSA-N 1 1 362.865 1.754 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@H+](Cc3nc(CSC)no3)C2)C1=O ZINC000092038010 671514445 /nfs/dbraw/zinc/51/44/45/671514445.db2.gz RLUJEXWJRSDXFF-MRXNPFEDSA-N 1 1 354.476 1.394 50 0 FDAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3nc(CSC)no3)C2)C1=O ZINC000092038010 671514446 /nfs/dbraw/zinc/51/44/46/671514446.db2.gz RLUJEXWJRSDXFF-MRXNPFEDSA-N 1 1 354.476 1.394 50 0 FDAAMO CN1CCC([N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104369550 671596252 /nfs/dbraw/zinc/59/62/52/671596252.db2.gz CCRXLJCDMDEGBQ-LJQANCHMSA-N 1 1 353.457 1.928 50 0 FDAAMO CN1CCC([N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)CC1 ZINC000104369550 671596253 /nfs/dbraw/zinc/59/62/53/671596253.db2.gz CCRXLJCDMDEGBQ-LJQANCHMSA-N 1 1 353.457 1.928 50 0 FDAAMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)C1 ZINC000175498334 672104332 /nfs/dbraw/zinc/10/43/32/672104332.db2.gz HCRZUVUXQZCPID-FHERZECASA-N 1 1 359.536 1.716 50 0 FDAAMO C[C@@](O)(C[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161766 678073716 /nfs/dbraw/zinc/07/37/16/678073716.db2.gz KQYONHNMJMZUPT-CHWSQXEVSA-N 1 1 358.426 1.626 50 0 FDAAMO C[C@@](O)(C[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)C(F)(F)F ZINC000374161766 678073720 /nfs/dbraw/zinc/07/37/20/678073720.db2.gz KQYONHNMJMZUPT-CHWSQXEVSA-N 1 1 358.426 1.626 50 0 FDAAMO O[C@H]1C[N@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1N1CCOCC1 ZINC000022913257 782368055 /nfs/dbraw/zinc/36/80/55/782368055.db2.gz QKNKYQFDGGXGMQ-VXKWHMMOSA-N 1 1 371.525 1.521 50 0 FDAAMO