smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000329250484 942506767 /nfs/dbraw/zinc/50/67/67/942506767.db2.gz BAOIOWRXAPNRRJ-PKOBYXMFSA-N 1 0 359.518 3.648 50 30 FHEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1cc(Cl)cc(Cl)c1 ZINC000004391837 204137245 /nfs/dbraw/zinc/13/72/45/204137245.db2.gz XHMSALJTEYABEQ-UHFFFAOYSA-N 1 0 368.176 3.573 50 30 FHEARO O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccc(F)cc1 ZINC000005713879 204221637 /nfs/dbraw/zinc/22/16/37/204221637.db2.gz GZIQEPZZPMPIIT-UHFFFAOYSA-N 1 0 372.217 3.821 50 30 FHEARO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CCC(O)CC2)c1 ZINC000057265620 205237267 /nfs/dbraw/zinc/23/72/67/205237267.db2.gz NHPXHBXOHMTBRI-UHFFFAOYSA-N 1 0 350.462 3.873 50 30 FHEARO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)cc1 ZINC000065287802 205334169 /nfs/dbraw/zinc/33/41/69/205334169.db2.gz SASNVZIZIVSPEY-OAQYLSRUSA-N 1 0 357.461 3.578 50 30 FHEARO C[N@@H+](Cc1ccccc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 ZINC000012864949 206296377 /nfs/dbraw/zinc/29/63/77/206296377.db2.gz QLVBIAQQOPHQOC-LCLYZWHDSA-N 1 0 369.505 3.645 50 30 FHEARO N#Cc1ccnc(N2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000095506885 132212863 /nfs/dbraw/zinc/21/28/63/132212863.db2.gz VVCKRVWRTINPAM-UHFFFAOYSA-N 1 0 360.383 3.731 50 30 FHEARO Cc1ccc(C(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000005073023 263338837 /nfs/dbraw/zinc/33/88/37/263338837.db2.gz DFMWRZLQJXSPPN-UHFFFAOYSA-N 1 0 363.373 3.728 50 30 FHEARO C=CC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000007274935 518953536 /nfs/dbraw/zinc/95/35/36/518953536.db2.gz RUEFODZJGRRHJA-UHFFFAOYSA-N 1 0 363.255 3.707 50 30 FHEARO C=CCc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000028233699 519146807 /nfs/dbraw/zinc/14/68/07/519146807.db2.gz UXJUVPUECJJGDK-GOSISDBHSA-N 1 0 366.461 3.507 50 30 FHEARO COc1ccc(C(=O)C[N@@+]2(C)CCc3[nH]c4ccccc4c3C2)cc1F ZINC000245246045 523593585 /nfs/dbraw/zinc/59/35/85/523593585.db2.gz GOJVNOUQXOSGCF-DEOSSOPVSA-N 1 0 353.417 3.701 50 30 FHEARO Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCC[NH+](C)C)o3)o2)cc1 ZINC000020891020 525444195 /nfs/dbraw/zinc/44/41/95/525444195.db2.gz OOAJPZLYOWXITL-UHFFFAOYSA-N 1 0 366.421 3.667 50 30 FHEARO C[N@H+](Cc1ccccc1NCC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000021698880 570932785 /nfs/dbraw/zinc/93/27/85/570932785.db2.gz NUYYYXSSTOBHPJ-QFIPXVFZSA-N 1 0 368.525 3.671 50 30 FHEARO CS(=O)(=O)OC(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000033756459 571066409 /nfs/dbraw/zinc/06/64/09/571066409.db2.gz CNGZDVMAVFKQNH-UHFFFAOYSA-N 1 0 373.518 3.782 50 30 FHEARO C=CCn1c2cc3c(cc2cc(C[NH2+][C@H]2CCOC(C)(C)C2)c1=O)CCC3 ZINC000012191537 571117695 /nfs/dbraw/zinc/11/76/95/571117695.db2.gz GSMDPQNHOVQTSM-FQEVSTJZSA-N 1 0 366.505 3.723 50 30 FHEARO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000025221118 571141489 /nfs/dbraw/zinc/14/14/89/571141489.db2.gz MJNKXUONXMRRKW-UHFFFAOYSA-N 1 0 365.405 3.682 50 30 FHEARO C=CCn1c(SCC[N@@H+]2CC[C@H](C)C2)nnc1-c1ccccc1OC ZINC000075108805 571155827 /nfs/dbraw/zinc/15/58/27/571155827.db2.gz PXVSQGFKCFZMSK-HNNXBMFYSA-N 1 0 358.511 3.574 50 30 FHEARO N#Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)cn1 ZINC000426477676 571322136 /nfs/dbraw/zinc/32/21/36/571322136.db2.gz DRESUKXCCIPZTF-QGZVFWFLSA-N 1 0 374.488 3.615 50 30 FHEARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2ccccc2C#N)C1 ZINC000095527816 571331264 /nfs/dbraw/zinc/33/12/64/571331264.db2.gz UUXNEWNWYLPKEQ-FQEVSTJZSA-N 1 0 361.489 3.585 50 30 FHEARO CC[NH+](CC)[C@@H](CNC(=O)CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000029919495 571344374 /nfs/dbraw/zinc/34/43/74/571344374.db2.gz BDWKKZVKFRLWMY-JOCHJYFZSA-N 1 0 363.505 3.560 50 30 FHEARO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010139822 204000915 /nfs/dbraw/zinc/00/09/15/204000915.db2.gz PMJJBKMHJYSLMH-UHFFFAOYSA-N 1 0 358.445 3.858 50 30 FHEARO CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1[N+](=O)Cc1cccnc1 ZINC000001436809 204007625 /nfs/dbraw/zinc/00/76/25/204007625.db2.gz LIDXYOMKQNJGAM-RDPIHGLISA-N 1 0 357.504 3.649 50 30 FHEARO CCCCCCC[NH2+][C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000002941580 204068466 /nfs/dbraw/zinc/06/84/66/204068466.db2.gz WDDQLPGEGVIXLR-OAHLLOKOSA-N 1 0 367.287 3.641 50 30 FHEARO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000008680418 204339097 /nfs/dbraw/zinc/33/90/97/204339097.db2.gz VCIVOEOIZSGTSW-GOSISDBHSA-N 1 0 361.555 3.796 50 30 FHEARO Cc1ccccc1NC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000016956805 204646240 /nfs/dbraw/zinc/64/62/40/204646240.db2.gz QECNAEXXAMRSPP-UHFFFAOYSA-O 1 0 366.872 3.989 50 30 FHEARO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000040033609 205049861 /nfs/dbraw/zinc/04/98/61/205049861.db2.gz XFPBIZKCLMAWDX-KRWDZBQOSA-N 1 0 355.463 3.794 50 30 FHEARO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 ZINC000065394227 205345124 /nfs/dbraw/zinc/34/51/24/205345124.db2.gz NWBRHRNDAMNFCQ-OAHLLOKOSA-N 1 0 360.417 3.992 50 30 FHEARO COC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2cccc(C)c2C#N)c1 ZINC000067842337 205396327 /nfs/dbraw/zinc/39/63/27/205396327.db2.gz ZFIZONJTSRVDKT-LJQANCHMSA-N 1 0 363.461 3.730 50 30 FHEARO CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(C#N)cc3)sc2C(C)(C)[NH2+]1 ZINC000004281249 206171661 /nfs/dbraw/zinc/17/16/61/206171661.db2.gz AJGGIPZYFYBIBP-UHFFFAOYSA-N 1 0 364.474 3.903 50 30 FHEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3[C@@H]3O[C@]312 ZINC000004027410 206163183 /nfs/dbraw/zinc/16/31/83/206163183.db2.gz AWARIKSVYAKVLG-VZMCSVCESA-N 1 0 361.526 3.634 50 30 biogenic FHEARO C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccc(F)cc4)cnn32)CC1 ZINC000021799004 132373968 /nfs/dbraw/zinc/37/39/68/132373968.db2.gz GZXDYGPUAKAJTJ-UHFFFAOYSA-N 1 0 365.456 3.542 50 30 FHEARO C=CC[NH2+]Cc1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000040742853 518952014 /nfs/dbraw/zinc/95/20/14/518952014.db2.gz FNFOLFMWDAZCKB-UHFFFAOYSA-N 1 0 374.868 3.950 50 30 FHEARO CCN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c(C)c1 ZINC000089969185 520979958 /nfs/dbraw/zinc/97/99/58/520979958.db2.gz RLPNWGWHHVPNLX-HXUWFJFHSA-N 1 0 354.498 3.721 50 30 FHEARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000068341052 522041913 /nfs/dbraw/zinc/04/19/13/522041913.db2.gz VCRQROCDSSPVSZ-QGZVFWFLSA-N 1 0 365.502 3.876 50 30 FHEARO CN(C)c1ccc(C=[NH+]N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000238937456 522160047 /nfs/dbraw/zinc/16/00/47/522160047.db2.gz VNUOLMATLPCKQO-UHFFFAOYSA-N 1 0 356.901 3.558 50 30 FHEARO N#CCCn1cc(C[N@@H+](CCO)C2CCCCC2)c(-c2ccccc2)n1 ZINC000095430334 526468167 /nfs/dbraw/zinc/46/81/67/526468167.db2.gz FVMXKCLRLSBFGP-UHFFFAOYSA-N 1 0 352.482 3.591 50 30 FHEARO Cn1cccc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000244678930 527393081 /nfs/dbraw/zinc/39/30/81/527393081.db2.gz IMLVFERGRRBSCH-UHFFFAOYSA-N 1 0 356.473 3.747 50 30 FHEARO Cc1ncsc1-c1cc(-c2cccn2-c2cc[nH+]cc2)c(C#N)c(N)n1 ZINC000071708150 570471809 /nfs/dbraw/zinc/47/18/09/570471809.db2.gz XHPWAGDNUWQRLB-UHFFFAOYSA-N 1 0 358.430 3.820 50 30 FHEARO CC(C)[C@@H]1CN(c2cccc(C#N)n2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752411 570511688 /nfs/dbraw/zinc/51/16/88/570511688.db2.gz BFMVJFKKEPBNHM-FQEVSTJZSA-N 1 0 352.457 3.829 50 30 FHEARO COc1ccccc1[C@H]1C[N@H+](Cc2ccccc2C#N)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072137419 570525888 /nfs/dbraw/zinc/52/58/88/570525888.db2.gz XZAPZYKWGUDRDP-GMKZXUHWSA-N 1 0 373.500 3.629 50 30 FHEARO CC(C)CC[NH+]1CCC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000072153867 570526384 /nfs/dbraw/zinc/52/63/84/570526384.db2.gz GEWPXFVKCRFOGO-UHFFFAOYSA-N 1 0 353.510 3.923 50 30 FHEARO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000329161160 570610230 /nfs/dbraw/zinc/61/02/30/570610230.db2.gz YTYFQGQDZLJDDC-INIZCTEOSA-N 1 0 372.513 3.928 50 30 FHEARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccc(F)cc1 ZINC000017246171 570747034 /nfs/dbraw/zinc/74/70/34/570747034.db2.gz VCYWXHPPAGZLAE-UHFFFAOYSA-O 1 0 370.835 3.820 50 30 FHEARO O=[N+]([O-])c1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019773238 570902879 /nfs/dbraw/zinc/90/28/79/570902879.db2.gz JOWUCWUHEYEXPG-XQNSMLJCSA-N 1 0 374.444 3.900 50 30 FHEARO C=CCn1cc(C[NH+]2CCC3(CCN(C(=O)CC(C)(C)C)CC3)CC2)cn1 ZINC000072161332 571053474 /nfs/dbraw/zinc/05/34/74/571053474.db2.gz CNLCAGFXDHITSK-UHFFFAOYSA-N 1 0 372.557 3.710 50 30 FHEARO C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000033336121 571064314 /nfs/dbraw/zinc/06/43/14/571064314.db2.gz HZYPLSBPUQVTDH-LTGZKZEYSA-N 1 0 372.310 3.991 50 30 FHEARO CC1(C)CCC[N@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C1 ZINC000040288637 571093763 /nfs/dbraw/zinc/09/37/63/571093763.db2.gz FNZNQMPYMHYTSI-UXTOGGPVSA-N 1 0 361.526 3.635 50 30 FHEARO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000009834312 571119666 /nfs/dbraw/zinc/11/96/66/571119666.db2.gz SETORQVIJKPDKP-GASCZTMLSA-N 1 0 368.481 3.534 50 30 FHEARO N#Cc1c(N)nc(-c2ccc(F)cc2C(F)(F)F)cc1C1CC[NH2+]CC1 ZINC000071681361 571200830 /nfs/dbraw/zinc/20/08/30/571200830.db2.gz LNZKAMLWSIAVRR-UHFFFAOYSA-N 1 0 364.346 3.827 50 30 FHEARO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCCSCc1ccccc1C#N ZINC000016695769 571212617 /nfs/dbraw/zinc/21/26/17/571212617.db2.gz OIKFOAZJRDTISB-KRWDZBQOSA-N 1 0 367.518 3.601 50 30 FHEARO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000252427936 571265054 /nfs/dbraw/zinc/26/50/54/571265054.db2.gz LBXIBQQYUBUMMK-FHTPNYMGSA-N 1 0 366.461 3.744 50 30 FHEARO O=C(C[n+]1ccc(-c2ccccc2)nc1)c1c(F)c(F)c(F)c(F)c1F ZINC000048523614 571308688 /nfs/dbraw/zinc/30/86/88/571308688.db2.gz FHHIZYNXJGUANF-UHFFFAOYSA-N 1 0 365.281 3.615 50 30 FHEARO COc1ccccc1[C@@H](CNc1oc(-c2cccs2)nc1C#N)[NH+](C)C ZINC000027562372 571317663 /nfs/dbraw/zinc/31/76/63/571317663.db2.gz XVWSLNNBOBRFFQ-OAHLLOKOSA-N 1 0 368.462 3.998 50 30 FHEARO N#Cc1ccc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1Cl ZINC000426690666 571322276 /nfs/dbraw/zinc/32/22/76/571322276.db2.gz MPOVBCOLOAJPQP-LJQANCHMSA-N 1 0 365.864 3.799 50 30 FHEARO COCC(C)(C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000095463848 571330320 /nfs/dbraw/zinc/33/03/20/571330320.db2.gz KXTYQFOANFOPGF-UHFFFAOYSA-N 1 0 371.525 3.598 50 30 FHEARO C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095995143 571333639 /nfs/dbraw/zinc/33/36/39/571333639.db2.gz LDGFGKDMEWVHOP-WIYYLYMNSA-N 1 0 364.489 3.892 50 30 FHEARO C=CC[N@H+]1CC[C@@H](Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C1 ZINC000670451420 571352538 /nfs/dbraw/zinc/35/25/38/571352538.db2.gz SBOZMPIUMZQVKE-CQSZACIVSA-N 1 0 369.465 3.772 50 30 FHEARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)cc1 ZINC000059287178 571356607 /nfs/dbraw/zinc/35/66/07/571356607.db2.gz MMOUPOYEHUZLEN-OAQYLSRUSA-N 1 0 361.489 3.761 50 30 FHEARO Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc([O-])cc1Cl ZINC000002597962 204045767 /nfs/dbraw/zinc/04/57/67/204045767.db2.gz KRVLTSGNCJHNCY-UHFFFAOYSA-O 1 0 351.760 3.874 50 30 FHEARO Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)C[C@H]3CCCO3)CC2)c1 ZINC000008753379 204343726 /nfs/dbraw/zinc/34/37/26/204343726.db2.gz CPABGGWIKPVTAR-GOSISDBHSA-N 1 0 361.555 3.796 50 30 FHEARO N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062580329 205291655 /nfs/dbraw/zinc/29/16/55/205291655.db2.gz ZKHRBEMKXVXXDD-LJQANCHMSA-N 1 0 373.378 3.951 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@H](C)C(=O)C[C@H]4C)[C@H]3C[C@@H]12 ZINC000061991161 221137768 /nfs/dbraw/zinc/13/77/68/221137768.db2.gz MIVSQBNBIGTKAZ-YENQFGAYSA-N 1 0 359.510 3.600 50 30 FHEARO C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000006759844 132371467 /nfs/dbraw/zinc/37/14/67/132371467.db2.gz UVYROFDPDHVYMI-UHFFFAOYSA-N 1 0 361.493 3.711 50 30 FHEARO CCOc1ccc(C(=O)ONC(=N)c2ccc(Cl)cc2)cc1OCC ZINC000005013622 263337510 /nfs/dbraw/zinc/33/75/10/263337510.db2.gz YGBSJFWVMCXUNR-UHFFFAOYSA-N 1 0 362.813 3.615 50 30 FHEARO C#CCN(Cc1ccc(C)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000064756112 518261160 /nfs/dbraw/zinc/26/11/60/518261160.db2.gz KISWEHNFPQIRMX-IBGZPJMESA-N 1 0 355.507 3.504 50 30 FHEARO C(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccccn1 ZINC000238900192 518377974 /nfs/dbraw/zinc/37/79/74/518377974.db2.gz HWPVZTDNLUJHLN-UHFFFAOYSA-N 1 0 354.457 3.803 50 30 FHEARO C=CCC[C@H](C[N@H+](C)C1CCN(C)CC1)Oc1cc(C(C)C)nc(C)n1 ZINC000067757042 518720860 /nfs/dbraw/zinc/72/08/60/518720860.db2.gz OZLIGKUMIMZMKC-LJQANCHMSA-N 1 0 360.546 3.648 50 30 FHEARO CC(C)[NH+](CC#CCNC(=O)NCc1cccc2ccccc21)C(C)C ZINC000075164533 519635182 /nfs/dbraw/zinc/63/51/82/519635182.db2.gz KXRPJZMLSRNFHM-UHFFFAOYSA-N 1 0 351.494 3.761 50 30 FHEARO C=CCn1c2ccc(C)cc2cc(C[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000020906461 534451103 /nfs/dbraw/zinc/45/11/03/534451103.db2.gz UNTRWDXXJPAUSB-UHFFFAOYSA-N 1 0 373.500 3.818 50 30 FHEARO CCN(CC)c1ccc(/C=[NH+]/N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000013571916 520882490 /nfs/dbraw/zinc/88/24/90/520882490.db2.gz HXXNBXJQFGTMLM-HKOYGPOVSA-N 1 0 364.537 3.993 50 30 FHEARO COC(=O)c1cccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1C#N ZINC000089406958 522210442 /nfs/dbraw/zinc/21/04/42/522210442.db2.gz MWVYYPRGERPQKT-INIZCTEOSA-N 1 0 366.486 3.959 50 30 FHEARO COc1ccccc1CNC(=[NH2+])SCc1cc2c(c(Cl)c1)OCO2 ZINC000029470966 524368430 /nfs/dbraw/zinc/36/84/30/524368430.db2.gz LZFGUJBJIHKJFV-UHFFFAOYSA-N 1 0 364.854 3.825 50 30 FHEARO COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@@H]1CC=C(C)CC1)[N@H+](C)CC3)OCO2 ZINC000033918778 570631948 /nfs/dbraw/zinc/63/19/48/570631948.db2.gz LURJWDVAWXQBDF-ITGFUDAMSA-N 1 0 372.465 3.920 50 30 FHEARO CN(C)c1ccc(/C=[NH+]/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000013633116 570781322 /nfs/dbraw/zinc/78/13/22/570781322.db2.gz VNUOLMATLPCKQO-PXLXIMEGSA-N 1 0 356.901 3.558 50 30 FHEARO O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccccc1 ZINC000017027442 570864897 /nfs/dbraw/zinc/86/48/97/570864897.db2.gz LALHWOWMKHKOOD-UHFFFAOYSA-O 1 0 352.845 3.681 50 30 FHEARO CC[NH+](CC)CCNc1nc(CC(C)C)c2c(c1C#N)CC(C)(C)OC2 ZINC000001246195 571044169 /nfs/dbraw/zinc/04/41/69/571044169.db2.gz YEFJMVXNVKXFDL-UHFFFAOYSA-N 1 0 358.530 3.757 50 30 FHEARO N#Cc1c(N)nc2c(c1-c1cc(C[NH+]3CCCC3)cs1)N1CCC2CC1 ZINC000102359404 571174694 /nfs/dbraw/zinc/17/46/94/571174694.db2.gz RDYQMNRQUIQPQD-UHFFFAOYSA-N 1 0 365.506 3.557 50 30 FHEARO Cn1cc(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000072454748 571319179 /nfs/dbraw/zinc/31/91/79/571319179.db2.gz SKESXAHCNOBXRW-QHCPKHFHSA-N 1 0 362.521 3.775 50 30 FHEARO CN(CCC[NH+](C)C)C(=O)c1ccc(-c2ccc(C#N)c(Cl)c2)cc1 ZINC000426739635 571322250 /nfs/dbraw/zinc/32/22/50/571322250.db2.gz FUXCPCUFOJZJKL-UHFFFAOYSA-N 1 0 355.869 3.902 50 30 FHEARO CCCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000028637124 571340275 /nfs/dbraw/zinc/34/02/75/571340275.db2.gz PBGGNXWMYSRFBC-UHFFFAOYSA-N 1 0 356.445 3.775 50 30 FHEARO Cc1cnc(C2CCOCC2)n1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000257186287 942598975 /nfs/dbraw/zinc/59/89/75/942598975.db2.gz KGTPAMIMEITEEG-OAQYLSRUSA-N 1 0 364.493 3.794 50 30 FHEARO O=C(C[n+]1ccc(-c2ccncc2)cc1)c1ccc(Br)cc1 ZINC000002565343 204045301 /nfs/dbraw/zinc/04/53/01/204045301.db2.gz FLHWEIVYOJMPSJ-UHFFFAOYSA-N 1 0 354.227 3.682 50 30 FHEARO CN(C)/C=[NH+]/c1c(C(=O)c2ccccc2)sc2nccc(N(C)C)c21 ZINC000004019025 204118764 /nfs/dbraw/zinc/11/87/64/204118764.db2.gz QWCQBDVIOBSXCW-CIAFOILYSA-N 1 0 352.463 3.815 50 30 FHEARO C[NH+](C)CCCOc1ccccc1-c1cc(-c2ccco2)nc(N)c1C#N ZINC000067714459 205386181 /nfs/dbraw/zinc/38/61/81/205386181.db2.gz PLWGYUJUIBMHSX-UHFFFAOYSA-N 1 0 362.433 3.793 50 30 FHEARO C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(-c4ccccn4)cc3)c12 ZINC000067758576 205389389 /nfs/dbraw/zinc/38/93/89/205389389.db2.gz BURNRLMNCHXMBD-OXJNMPFZSA-N 1 0 367.456 3.956 50 30 FHEARO C=CCC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102341 518726238 /nfs/dbraw/zinc/72/62/38/518726238.db2.gz IGWPOEXSSPWYGS-IBGZPJMESA-N 1 0 369.461 3.753 50 30 FHEARO C[N@H+](CC#CCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000075165124 522416119 /nfs/dbraw/zinc/41/61/19/522416119.db2.gz BWRAVGQGRHWOCN-UHFFFAOYSA-N 1 0 361.272 3.859 50 30 FHEARO COc1ccc(C(=[NH2+])NOC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000004807897 523372300 /nfs/dbraw/zinc/37/23/00/523372300.db2.gz PHPGPNNFHMEXEM-UHFFFAOYSA-N 1 0 374.440 3.958 50 30 FHEARO N#CCCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000022800037 526467172 /nfs/dbraw/zinc/46/71/72/526467172.db2.gz SBIKJHMXFUPVRE-NRFANRHFSA-N 1 0 358.489 3.919 50 30 FHEARO N#Cc1cccnc1-c1cccc(-c2ccn(CC[NH+]3CCCCC3)n2)c1 ZINC000020255080 526751395 /nfs/dbraw/zinc/75/13/95/526751395.db2.gz GQGAVDKNNWCRNT-UHFFFAOYSA-N 1 0 357.461 3.970 50 30 FHEARO O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000005740284 527194806 /nfs/dbraw/zinc/19/48/06/527194806.db2.gz BTXSOKNOMVDNRA-UHFFFAOYSA-N 1 0 370.388 3.980 50 30 FHEARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C#N)c1ccc(Br)cc1 ZINC000014188690 570518602 /nfs/dbraw/zinc/51/86/02/570518602.db2.gz XEZVWZQOIDRMNY-GFCCVEGCSA-N 1 0 358.239 3.610 50 30 FHEARO C=CCOC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000005096340 570584565 /nfs/dbraw/zinc/58/45/65/570584565.db2.gz RUIWOCFOPMIHLV-QHCPKHFHSA-N 1 0 370.537 3.866 50 30 FHEARO Cc1ccc(OCC(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cc1C ZINC000004602222 570597734 /nfs/dbraw/zinc/59/77/34/570597734.db2.gz XLPUVMNKXCTPDB-UHFFFAOYSA-N 1 0 362.429 3.894 50 30 FHEARO CCn1nc(C)c(C[N@H+](CC)Cc2ccc(C#CC(C)(C)O)cc2)c1C ZINC000055369955 571058985 /nfs/dbraw/zinc/05/89/85/571058985.db2.gz HIRJFHGDJKNZNF-UHFFFAOYSA-N 1 0 353.510 3.664 50 30 FHEARO C[NH+]1C(C)(C)CC(n2cc(-c3ccc(C#CCCO)cc3)nn2)CC1(C)C ZINC000091818259 571063054 /nfs/dbraw/zinc/06/30/54/571063054.db2.gz PFYXUQAQOOOSPJ-UHFFFAOYSA-N 1 0 366.509 3.503 50 30 FHEARO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccn1)CCC2 ZINC000072311931 571079307 /nfs/dbraw/zinc/07/93/07/571079307.db2.gz DKBNABOWUOTFQW-KRWDZBQOSA-N 1 0 366.490 3.669 50 30 FHEARO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012305435 571117696 /nfs/dbraw/zinc/11/76/96/571117696.db2.gz VDUPYMWVHGAJIW-IBGZPJMESA-N 1 0 360.461 3.999 50 30 FHEARO C=CCc1cc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c(O)c(OC)c1 ZINC000012976636 571118917 /nfs/dbraw/zinc/11/89/17/571118917.db2.gz JVSYDICSJFMMAS-UHFFFAOYSA-N 1 0 355.434 3.533 50 30 FHEARO C=CCOc1c(Br)cc(C[NH2+]CCCOC(C)C)cc1OC ZINC000013721969 571120277 /nfs/dbraw/zinc/12/02/77/571120277.db2.gz LOZPCTWZIVBKQC-UHFFFAOYSA-N 1 0 372.303 3.927 50 30 FHEARO C[NH+](C)CCCSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 ZINC000006764272 571245541 /nfs/dbraw/zinc/24/55/41/571245541.db2.gz XUSGKWDFWNHHKI-UHFFFAOYSA-N 1 0 358.555 3.866 50 30 FHEARO COc1ccccc1[C@H](CNc1oc(-c2ccco2)nc1C#N)[NH+](C)C ZINC000027664459 571319925 /nfs/dbraw/zinc/31/99/25/571319925.db2.gz JJGKNXIAIHTLSN-HNNXBMFYSA-N 1 0 352.394 3.530 50 30 FHEARO C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(O)c4ccccc43)c12 ZINC000067921938 571321939 /nfs/dbraw/zinc/32/19/39/571321939.db2.gz FEYBZTRHEFIKBY-KPZWWZAWSA-N 1 0 356.429 3.753 50 30 FHEARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000095363647 571328916 /nfs/dbraw/zinc/32/89/16/571328916.db2.gz ICXPWBCJBNWCDE-QFIPXVFZSA-N 1 0 373.500 3.900 50 30 FHEARO CC[NH+](CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 ZINC000002406708 204038069 /nfs/dbraw/zinc/03/80/69/204038069.db2.gz KPHFDFLRUYKHFZ-UHFFFAOYSA-N 1 0 368.481 3.818 50 30 FHEARO CC(C)[N@@H+]1C[C@H](O)[C@@H](n2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)C1 ZINC000065369738 205340318 /nfs/dbraw/zinc/34/03/18/205340318.db2.gz UZPJMHMKXVNLSV-SFTDATJTSA-N 1 0 372.472 3.715 50 30 FHEARO CC(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC000067909472 205403847 /nfs/dbraw/zinc/40/38/47/205403847.db2.gz AMYDOFRRXDVPOQ-QFIPXVFZSA-N 1 0 353.510 3.809 50 30 FHEARO Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000071762837 205444451 /nfs/dbraw/zinc/44/44/51/205444451.db2.gz CFGJZLDBUSUWBM-AWEZNQCLSA-N 1 0 360.465 3.534 50 30 FHEARO CN(C)C(=[NH+]CC1(c2ccc(Cl)cc2Cl)CCOCC1)N(C)C ZINC000097001332 205891720 /nfs/dbraw/zinc/89/17/20/205891720.db2.gz GJKZPVNQSNGPHQ-UHFFFAOYSA-N 1 0 358.313 3.521 50 30 FHEARO C[N@@H+](Cc1ccccc1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 ZINC000004073460 206166484 /nfs/dbraw/zinc/16/64/84/206166484.db2.gz QLVBIAQQOPHQOC-XPRTXTSQSA-N 1 0 369.505 3.645 50 30 biogenic FHEARO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072153933 132302884 /nfs/dbraw/zinc/30/28/84/132302884.db2.gz PWAGRCIXRYSUDI-FQEVSTJZSA-N 1 0 373.516 3.541 50 30 FHEARO C(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1ccncc1 ZINC000245253820 518378547 /nfs/dbraw/zinc/37/85/47/518378547.db2.gz GPZDYTLXFCWDQP-UHFFFAOYSA-N 1 0 354.457 3.803 50 30 FHEARO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102339 518719203 /nfs/dbraw/zinc/71/92/03/518719203.db2.gz IGWPOEXSSPWYGS-LJQANCHMSA-N 1 0 369.461 3.753 50 30 FHEARO C=CCN(CC#Cc1ccccc1)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000055384426 518744389 /nfs/dbraw/zinc/74/43/89/518744389.db2.gz KUAFMEFVQVKNIO-GOSISDBHSA-N 1 0 350.487 3.853 50 30 FHEARO CCN(CCC#N)c1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(O)cc2)c(C)c1 ZINC000008747047 520979789 /nfs/dbraw/zinc/97/97/89/520979789.db2.gz ZFCFQLJCPKEUQI-JTSKRJEESA-N 1 0 367.493 3.652 50 30 FHEARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1 ZINC000011612353 525211365 /nfs/dbraw/zinc/21/13/65/525211365.db2.gz LSCGZJZKKAPTNP-KZNAEPCWSA-N 1 0 364.489 3.775 50 30 FHEARO C[NH+](C)CCCOc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 ZINC000071750377 570511728 /nfs/dbraw/zinc/51/17/28/570511728.db2.gz YFXOKLZXCSQNCF-UHFFFAOYSA-N 1 0 361.449 3.528 50 30 FHEARO COc1ccccc1[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072164927 570526358 /nfs/dbraw/zinc/52/63/58/570526358.db2.gz RORJCUQIMACIIZ-GMKZXUHWSA-N 1 0 373.500 3.629 50 30 FHEARO C=C(C)COc1ccc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000063884132 571072227 /nfs/dbraw/zinc/07/22/27/571072227.db2.gz GDAUNQHZMAYINR-UHFFFAOYSA-N 1 0 374.550 3.731 50 30 FHEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000014746002 571121512 /nfs/dbraw/zinc/12/15/12/571121512.db2.gz HUQPBLZWDDGPHL-GOSISDBHSA-N 1 0 372.557 3.578 50 30 FHEARO C[NH+](C)CC[C@H]1CCCCN1C(=O)CC1=C(c2ccccc2)CCC1=O ZINC000072431729 571195725 /nfs/dbraw/zinc/19/57/25/571195725.db2.gz OCLGEKBZKIDINZ-GOSISDBHSA-N 1 0 354.494 3.526 50 30 FHEARO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000097036755 571202193 /nfs/dbraw/zinc/20/21/93/571202193.db2.gz NLFRJNDRNJYRCY-UHFFFAOYSA-N 1 0 354.429 3.861 50 30 FHEARO CO[C@]12CC[N@H+](Cc3ccc(C#N)cc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426359992 571321951 /nfs/dbraw/zinc/32/19/51/571321951.db2.gz UDYZNIUAIRDVSP-RZUBCFFCSA-N 1 0 363.461 3.544 50 30 FHEARO CO[C@]12CC[N@H+](Cc3cccc(C#N)c3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426662322 571322202 /nfs/dbraw/zinc/32/22/02/571322202.db2.gz SLBLVKDYCGHCOR-RZUBCFFCSA-N 1 0 363.461 3.544 50 30 FHEARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)cc1 ZINC000059287182 571356622 /nfs/dbraw/zinc/35/66/22/571356622.db2.gz MMOUPOYEHUZLEN-NRFANRHFSA-N 1 0 361.489 3.761 50 30 FHEARO C=CCn1cc(CN(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(C)n1 ZINC000020327728 941881535 /nfs/dbraw/zinc/88/15/35/941881535.db2.gz FXVURVPTSZDFHB-QHCPKHFHSA-N 1 0 366.553 3.907 50 30 FHEARO C=CCN(CC=C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1)C(C)C ZINC000048301494 203794196 /nfs/dbraw/zinc/79/41/96/203794196.db2.gz CXKRHBWLCIZPPP-OAQYLSRUSA-N 1 0 368.525 3.874 50 30 FHEARO CCCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccc(N(C)C)cc1 ZINC000002270124 204032036 /nfs/dbraw/zinc/03/20/36/204032036.db2.gz PEBAXCQHJCPYGL-JHDSZEHQSA-N 1 0 365.568 3.920 50 30 FHEARO C=CCNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccccc1 ZINC000003377535 204096820 /nfs/dbraw/zinc/09/68/20/204096820.db2.gz NPIMZBAPOKJNBY-UHFFFAOYSA-O 1 0 353.511 3.986 50 30 FHEARO C[N@@H+](Cc1ccccc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000035361966 204243885 /nfs/dbraw/zinc/24/38/85/204243885.db2.gz QLVBIAQQOPHQOC-WFTGQSOZSA-N 1 0 369.505 3.645 50 30 FHEARO C=CCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 ZINC000016035628 204630080 /nfs/dbraw/zinc/63/00/80/204630080.db2.gz FGSJRKLNLKKYMY-UHFFFAOYSA-O 1 0 366.293 3.995 50 30 FHEARO CC(C)[NH+](CC#CCNC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000075164537 205036302 /nfs/dbraw/zinc/03/63/02/205036302.db2.gz XULSDWHQUSIYRF-UHFFFAOYSA-N 1 0 355.404 3.949 50 30 FHEARO COc1ccccc1NC(=S)NN=C1CC[NH+](Cc2ccccc2)CC1 ZINC000058654934 205277129 /nfs/dbraw/zinc/27/71/29/205277129.db2.gz DQCYTHYXNNSZSL-UHFFFAOYSA-N 1 0 368.506 3.634 50 30 FHEARO c1ccc(C[NH+]2CCC(N=Nc3nnc4c5ccccc5[nH]c4n3)CC2)cc1 ZINC000004564953 206179631 /nfs/dbraw/zinc/17/96/31/206179631.db2.gz MKSQHKNYFULNLM-UHFFFAOYSA-N 1 0 371.448 3.570 50 30 FHEARO C[C@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878786 206306230 /nfs/dbraw/zinc/30/62/30/206306230.db2.gz YALMUZHUZWPMBX-YOEHRIQHSA-N 1 0 361.536 3.908 50 30 FHEARO N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1[C@@H]1CCC[NH2+]C1 ZINC000071775742 136141163 /nfs/dbraw/zinc/14/11/63/136141163.db2.gz VKMNVXJMWQTVEY-QGZVFWFLSA-N 1 0 361.493 3.660 50 30 FHEARO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)COc1ccccc1Cl ZINC000004725407 263336316 /nfs/dbraw/zinc/33/63/16/263336316.db2.gz OOLDLCYVRJPAGK-UHFFFAOYSA-N 1 0 368.820 3.930 50 30 FHEARO C#Cc1cc(F)c(NC(=O)N(CC[NH+](C)C)Cc2cccs2)c(F)c1 ZINC000089314308 518359652 /nfs/dbraw/zinc/35/96/52/518359652.db2.gz YCMYAYHFGGNQEX-UHFFFAOYSA-N 1 0 363.433 3.603 50 30 FHEARO C=C(C)COc1cccc(C[N@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000055107867 518619683 /nfs/dbraw/zinc/61/96/83/518619683.db2.gz SSAWOGYLHKUBDG-IBGZPJMESA-N 1 0 356.510 3.864 50 30 FHEARO C=CCN(CC#Cc1ccccc1)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000055384423 518744803 /nfs/dbraw/zinc/74/48/03/518744803.db2.gz KUAFMEFVQVKNIO-SFHVURJKSA-N 1 0 350.487 3.853 50 30 FHEARO C=CCOc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1OCC ZINC000253386668 519034149 /nfs/dbraw/zinc/03/41/49/519034149.db2.gz XNOLCKQSHIZJQH-UHFFFAOYSA-N 1 0 351.450 3.859 50 30 FHEARO CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1 ZINC000008214591 519984395 /nfs/dbraw/zinc/98/43/95/519984395.db2.gz UGJWZYARKOFRDB-UHFFFAOYSA-O 1 0 363.522 3.554 50 30 world FHEARO CCCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000001833547 520567615 /nfs/dbraw/zinc/56/76/15/520567615.db2.gz YXDCAEZGBASRPM-DZBQEORWSA-N 1 0 367.496 3.763 50 30 FHEARO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1C#N ZINC000089406959 522212217 /nfs/dbraw/zinc/21/22/17/522212217.db2.gz MWVYYPRGERPQKT-MRXNPFEDSA-N 1 0 366.486 3.959 50 30 FHEARO CC(C)(O)CCc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000072425285 535294266 /nfs/dbraw/zinc/29/42/66/535294266.db2.gz GKHOIUHEASLDHV-UHFFFAOYSA-N 1 0 363.505 3.584 50 30 FHEARO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024668216 567891451 /nfs/dbraw/zinc/89/14/51/567891451.db2.gz FQQQUIKXVWDUPI-QGZVFWFLSA-N 1 0 374.444 3.908 50 30 FHEARO CC(C)[C@H]1CN(c2cccc(C#N)n2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752412 570511443 /nfs/dbraw/zinc/51/14/43/570511443.db2.gz BFMVJFKKEPBNHM-HXUWFJFHSA-N 1 0 352.457 3.829 50 30 FHEARO C=CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011760816 570594339 /nfs/dbraw/zinc/59/43/39/570594339.db2.gz NGSUYPDTJXSJDW-FQEVSTJZSA-N 1 0 374.500 3.621 50 30 FHEARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccccc3Cl)c3n2CCC3)cc1 ZINC000016956719 570863687 /nfs/dbraw/zinc/86/36/87/570863687.db2.gz LHYUSBMPPHEDLC-UHFFFAOYSA-O 1 0 366.872 3.989 50 30 FHEARO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000015523877 571079717 /nfs/dbraw/zinc/07/97/17/571079717.db2.gz ACJJPHZDOBJVND-UHFFFAOYSA-N 1 0 360.383 3.684 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC3(C[C@H]3c3nc(-c4cccnc4)no3)CC2)cc1 ZINC000069848464 571103874 /nfs/dbraw/zinc/10/38/74/571103874.db2.gz QNVQLENPDAGLLH-IBGZPJMESA-N 1 0 371.444 3.773 50 30 FHEARO C=CCn1c(C)nn(CN2CCC[C@H]2c2cc(OC)ccc2OC)c1=S ZINC000012868633 571130882 /nfs/dbraw/zinc/13/08/82/571130882.db2.gz ZUNPLPVTAPKING-KRWDZBQOSA-N 1 0 374.510 3.720 50 30 FHEARO C#C[C@@H]1C[NH+](C23CC4CC(CC(C4)C2)C3)C[C@@H](C#C)N1Cc1ccccc1 ZINC000096835201 571150008 /nfs/dbraw/zinc/15/00/08/571150008.db2.gz RZPRZMVXVOSGBW-AFNPQLDUSA-N 1 0 358.529 3.777 50 30 FHEARO C=CCn1c(SCC[N@@H+]2CC[C@@H](C)C2)nnc1-c1ccccc1OC ZINC000075108802 571155888 /nfs/dbraw/zinc/15/58/88/571155888.db2.gz PXVSQGFKCFZMSK-OAHLLOKOSA-N 1 0 358.511 3.574 50 30 FHEARO N#Cc1ccccc1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000016422547 571186345 /nfs/dbraw/zinc/18/63/45/571186345.db2.gz GFFUCTRGFGZJHT-UHFFFAOYSA-N 1 0 360.383 3.684 50 30 FHEARO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000026807961 571198441 /nfs/dbraw/zinc/19/84/41/571198441.db2.gz NFSHPOFMBFJDFL-CQSZACIVSA-N 1 0 350.871 3.535 50 30 FHEARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000027389275 571289746 /nfs/dbraw/zinc/28/97/46/571289746.db2.gz VEPORTAAMJLBFK-UHFFFAOYSA-N 1 0 361.489 3.534 50 30 FHEARO CCC1([C@@](O)(C#CC[N@H+](CCO)C(C)(C)C)c2ccccc2)CCCC1 ZINC000002287398 571311750 /nfs/dbraw/zinc/31/17/50/571311750.db2.gz CJJYLXAXGQLGEN-HSZRJFAPSA-N 1 0 357.538 3.941 50 30 FHEARO CN1CC2(CC[NH+](Cc3ccccc3C#N)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091551826 571319073 /nfs/dbraw/zinc/31/90/73/571319073.db2.gz JSBAHCRSTRQENI-QFIPXVFZSA-N 1 0 373.500 3.786 50 30 FHEARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC000426518275 571322177 /nfs/dbraw/zinc/32/21/77/571322177.db2.gz ICGHPDLONUQNKA-HSZRJFAPSA-N 1 0 359.473 3.783 50 30 FHEARO CC1=C2[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000012658108 571322575 /nfs/dbraw/zinc/32/25/75/571322575.db2.gz YVEXKOLTDDJUNU-BXYJTDFISA-N 1 0 357.494 3.522 50 30 FHEARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C)c(C#N)c2)s1 ZINC000095521794 571331254 /nfs/dbraw/zinc/33/12/54/571331254.db2.gz ZXPVQVARVXBLGE-UHFFFAOYSA-N 1 0 356.495 3.832 50 30 FHEARO C=CCCC(=O)N1CCC([N@@H+]2CCC[C@@H]2COCc2ccccc2)CC1 ZINC000217595592 571349029 /nfs/dbraw/zinc/34/90/29/571349029.db2.gz KWEYIWQCPCRUCG-OAQYLSRUSA-N 1 0 356.510 3.625 50 30 FHEARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000581808564 940616955 /nfs/dbraw/zinc/61/69/55/940616955.db2.gz UQTMGANVJCKYHD-UHFFFAOYSA-N 1 0 362.477 3.883 50 30 FHEARO Cc1cc(C)n(-c2ccc(N3CCC([N@@H+]4CCC[C@H](C#N)C4)CC3)cc2)n1 ZINC000023543824 940639093 /nfs/dbraw/zinc/63/90/93/940639093.db2.gz LPBPLZCVWNTHNB-LJQANCHMSA-N 1 0 363.509 3.694 50 30 FHEARO C=CCn1cc(CN(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(C)n1 ZINC000020327721 941881653 /nfs/dbraw/zinc/88/16/53/941881653.db2.gz FXVURVPTSZDFHB-HSZRJFAPSA-N 1 0 366.553 3.907 50 30 FHEARO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000329250482 942507111 /nfs/dbraw/zinc/50/71/11/942507111.db2.gz BAOIOWRXAPNRRJ-HKUYNNGSSA-N 1 0 359.518 3.648 50 30 FHEARO O=C(C[n+]1cc(Br)cc(Br)c1)c1ccc(F)cc1 ZINC000001595137 204013211 /nfs/dbraw/zinc/01/32/11/204013211.db2.gz LXUPLORZGLATKQ-UHFFFAOYSA-N 1 0 374.027 3.521 50 30 FHEARO O=C(C[n+]1ccc(-c2ccccc2)nc1)c1ccc(Br)cc1 ZINC000003121746 204080015 /nfs/dbraw/zinc/08/00/15/204080015.db2.gz JSTJTAGALVFUDS-UHFFFAOYSA-N 1 0 354.227 3.682 50 30 FHEARO CC[NH+](CC)CCCNc1oc(/C=C/c2ccccc2OC)nc1C#N ZINC000007263583 204292296 /nfs/dbraw/zinc/29/22/96/204292296.db2.gz FTAAGHVLRWXFAG-VAWYXSNFSA-N 1 0 354.454 3.869 50 30 FHEARO COc1ccc(-c2nc(C)c(C#N)c(SCC[NH+]3CCCCC3)n2)cc1 ZINC000006764658 204268020 /nfs/dbraw/zinc/26/80/20/204268020.db2.gz FQPVAISZKBVUJG-UHFFFAOYSA-N 1 0 368.506 3.910 50 30 FHEARO CN1c2ccccc2C(C)(C)C1=CC(=O)C[n+]1cccc(Br)c1 ZINC000018045483 204659809 /nfs/dbraw/zinc/65/98/09/204659809.db2.gz KUVRLBDXORIBJS-WQRHYEAKSA-N 1 0 372.286 3.617 50 30 FHEARO Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)c(C#N)c(C)c1Cl ZINC000065366273 205340350 /nfs/dbraw/zinc/34/03/50/205340350.db2.gz JPOKALYZYLRXIW-UHFFFAOYSA-N 1 0 354.885 3.588 50 30 FHEARO Cc1[nH]c2ccc(C#N)cc2c1CCNc1cc(C2CC[NH+](C)CC2)ncn1 ZINC000067805353 205392299 /nfs/dbraw/zinc/39/22/99/205392299.db2.gz QWJYUGXMIIFLCO-UHFFFAOYSA-N 1 0 374.492 3.602 50 30 FHEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC4=CCCCC4)[C@H]3[C@@H]3O[C@]312 ZINC000012661435 206294317 /nfs/dbraw/zinc/29/43/17/206294317.db2.gz CBJRUAZKWGJCSM-ADPNAPNMSA-N 1 0 373.537 3.992 50 30 FHEARO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(C)CC2)c1C#N ZINC000012981933 206299056 /nfs/dbraw/zinc/29/90/56/206299056.db2.gz SZGYEPDAWQENDI-UHFFFAOYSA-N 1 0 368.481 3.678 50 30 FHEARO COc1ccc2c(ccc[n+]2CC(=O)c2ccc(Br)cc2)c1 ZINC000001669461 263144359 /nfs/dbraw/zinc/14/43/59/263144359.db2.gz XNYYAJNALZAWRC-UHFFFAOYSA-N 1 0 357.227 3.781 50 30 FHEARO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)CC1 ZINC000011878875 263368236 /nfs/dbraw/zinc/36/82/36/263368236.db2.gz XPTSWRKVGKYRHA-OAQYLSRUSA-N 1 0 360.542 3.640 50 30 FHEARO C=CCOc1c(Cl)cc(C[NH2+]CCCOc2ccccn2)cc1OC ZINC000113397425 519003104 /nfs/dbraw/zinc/00/31/04/519003104.db2.gz KTCXPUOIKOCGMB-UHFFFAOYSA-N 1 0 362.857 3.867 50 30 FHEARO C=CCOc1ccc(C[N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000032759211 519032943 /nfs/dbraw/zinc/03/29/43/519032943.db2.gz NJKNLJKYQUVYBA-UHFFFAOYSA-N 1 0 369.852 3.545 50 30 FHEARO C[N@H+](CC#CCNC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000075165138 522416183 /nfs/dbraw/zinc/41/61/83/522416183.db2.gz PHBXNRFSAOKSGZ-UHFFFAOYSA-N 1 0 356.469 3.634 50 30 FHEARO COC(=O)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCN(C)C2 ZINC000000694792 570450893 /nfs/dbraw/zinc/45/08/93/570450893.db2.gz DSCCMMKJKLMOFB-UFWORHAWSA-N 1 0 364.854 3.632 50 30 FHEARO Cc1ncc(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000329413305 570612983 /nfs/dbraw/zinc/61/29/83/570612983.db2.gz DSKMAEVJWAWXAR-MOPGFXCFSA-N 1 0 374.435 3.900 50 30 FHEARO Cn1cccc1/C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019807911 570903815 /nfs/dbraw/zinc/90/38/15/570903815.db2.gz IMLVFERGRRBSCH-JJIBRWJFSA-N 1 0 356.473 3.747 50 30 FHEARO N#CCCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c2ccccc21 ZINC000022800043 570950186 /nfs/dbraw/zinc/95/01/86/570950186.db2.gz SBIKJHMXFUPVRE-OAQYLSRUSA-N 1 0 358.489 3.919 50 30 FHEARO CCN(CCC#N)c1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(O)cc2)c(C)c1 ZINC000012691717 571049666 /nfs/dbraw/zinc/04/96/66/571049666.db2.gz ZFCFQLJCPKEUQI-VGOFRKELSA-N 1 0 367.493 3.652 50 30 FHEARO Cc1c(NCc2ccccc2C[NH+]2CCCC2)cc(C#N)cc1[N+](=O)[O-] ZINC000040122913 571081344 /nfs/dbraw/zinc/08/13/44/571081344.db2.gz JVXOQZSFLYQRLF-UHFFFAOYSA-N 1 0 350.422 3.983 50 30 FHEARO C[N@H+](CCC(=O)/C=C\c1cccc(F)c1)CCc1ccc2c(c1)OCO2 ZINC000215065365 571294665 /nfs/dbraw/zinc/29/46/65/571294665.db2.gz BGHZOGGANANMIC-ALCCZGGFSA-N 1 0 355.409 3.701 50 30 FHEARO Cc1c(C[N@@H+]2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cc(C#N)n1C ZINC000072479764 571319152 /nfs/dbraw/zinc/31/91/52/571319152.db2.gz FHLBLBQSFOVSSN-QFIPXVFZSA-N 1 0 350.510 3.994 50 30 FHEARO COc1ccc([C@H](CNc2oc(-c3ccccc3)nc2C#N)[NH+](C)C)cc1 ZINC000027793576 571321410 /nfs/dbraw/zinc/32/14/10/571321410.db2.gz RLBUDOFMPZLAFQ-IBGZPJMESA-N 1 0 362.433 3.937 50 30 FHEARO N#Cc1ccc(-c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)cc1 ZINC000426360021 571321965 /nfs/dbraw/zinc/32/19/65/571321965.db2.gz WJAWTVGFICWCNC-UHFFFAOYSA-N 1 0 359.473 3.926 50 30 FHEARO N#Cc1ccc(-c2cccc(C(=O)NCC3CC[NH2+]CC3)c2)cc1Cl ZINC000426503254 571322104 /nfs/dbraw/zinc/32/21/04/571322104.db2.gz JKUAMCWTJSLANU-UHFFFAOYSA-N 1 0 353.853 3.608 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)cc1 ZINC000095507449 571331224 /nfs/dbraw/zinc/33/12/24/571331224.db2.gz MVXDJYBSNMETOY-UHFFFAOYSA-N 1 0 359.473 3.573 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)cc1 ZINC000071890548 205029671 /nfs/dbraw/zinc/02/96/71/205029671.db2.gz NDYTUSTUZDOSIT-JOCHJYFZSA-N 1 0 365.521 3.951 50 30 FHEARO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccsc1 ZINC000040091459 205054553 /nfs/dbraw/zinc/05/45/53/205054553.db2.gz ZDTPSIOPEKKLDM-SFHVURJKSA-N 1 0 356.495 3.502 50 30 FHEARO Oc1c(Br)cccc1/C=N/C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026311 206163650 /nfs/dbraw/zinc/16/36/50/206163650.db2.gz NICFMMXVUWIJMR-LOLXLMDRSA-N 1 0 351.288 3.838 50 30 biogenic FHEARO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(F)cc2s1 ZINC000005115231 206188407 /nfs/dbraw/zinc/18/84/07/206188407.db2.gz RBNIAVBKPYNKHZ-UHFFFAOYSA-N 1 0 368.437 3.515 50 30 FHEARO CC/N=C1/S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC ZINC000005792233 206240410 /nfs/dbraw/zinc/24/04/10/206240410.db2.gz RHJGSCJXSISQBL-SXFBWKAHSA-N 1 0 368.506 3.855 50 30 FHEARO C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Br)cc1 ZINC000006084338 206240763 /nfs/dbraw/zinc/24/07/63/206240763.db2.gz YXUBZXINQWIWLY-ZDUSSCGKSA-N 1 0 372.266 3.780 50 30 FHEARO CC1CCN(CN2c3ccccc3/C(=N/c3ccccc3F)C2=O)CC1 ZINC000038198789 206335923 /nfs/dbraw/zinc/33/59/23/206335923.db2.gz QYZZKCICOJZINM-ATJXCDBQSA-N 1 0 351.425 3.983 50 30 FHEARO COc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1C#N ZINC000097009632 132226719 /nfs/dbraw/zinc/22/67/19/132226719.db2.gz MAQHMWPMXNVXPZ-KRWDZBQOSA-N 1 0 369.852 3.505 50 30 FHEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3[C@H]3O[C@@]312 ZINC000004027411 263331254 /nfs/dbraw/zinc/33/12/54/263331254.db2.gz AWARIKSVYAKVLG-XETSRNHHSA-N 1 0 361.526 3.634 50 30 biogenic FHEARO CCN(CC)c1ccc(/C=[NH+]\N2CCN(c3ccccc3OC)CC2)cc1 ZINC000013371174 520884483 /nfs/dbraw/zinc/88/44/83/520884483.db2.gz TVRAXDDYILJZRM-NKFKGCMQSA-N 1 0 366.509 3.698 50 30 FHEARO CN(C)[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(F)c1 ZINC000022924273 522086388 /nfs/dbraw/zinc/08/63/88/522086388.db2.gz LRLJFFHZSRGZHC-OAQYLSRUSA-N 1 0 354.473 3.568 50 30 FHEARO CCn1cc(-c2cc(-c3cc(C[NH+](C)C)cs3)nc(N)c2C#N)c(C)n1 ZINC000071714983 570471360 /nfs/dbraw/zinc/47/13/60/570471360.db2.gz PWRYPXJEFXDTOE-UHFFFAOYSA-N 1 0 366.494 3.517 50 30 FHEARO Cc1ccc(-c2cc(-c3cccc(OCC[NH+](C)C)c3)c(C#N)c(N)n2)nc1 ZINC000071762657 570511840 /nfs/dbraw/zinc/51/18/40/570511840.db2.gz CYOGEQSPFLTLLZ-UHFFFAOYSA-N 1 0 373.460 3.513 50 30 FHEARO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072133619 570525733 /nfs/dbraw/zinc/52/57/33/570525733.db2.gz WSWGEUBYCNJCQH-RBZQAINGSA-N 1 0 373.500 3.629 50 30 FHEARO CCOc1ccc(C(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 ZINC000013778969 570791058 /nfs/dbraw/zinc/79/10/58/570791058.db2.gz SAUHZRZLJBCVGA-UHFFFAOYSA-N 1 0 361.465 3.979 50 30 FHEARO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(C#CC(C)(C)O)s1 ZINC000055168945 571058201 /nfs/dbraw/zinc/05/82/01/571058201.db2.gz WQUZANRATFBZPD-MRXNPFEDSA-N 1 0 363.548 3.705 50 30 FHEARO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1ccc(C(=O)Nc2ccnn2C)cc1 ZINC000065508339 571074183 /nfs/dbraw/zinc/07/41/83/571074183.db2.gz MRCLWFOZEARHET-VQIMIIECSA-N 1 0 350.466 3.768 50 30 FHEARO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000070007975 571107526 /nfs/dbraw/zinc/10/75/26/571107526.db2.gz RCNCZKAAWKCJBO-NRFANRHFSA-N 1 0 357.473 3.700 50 30 FHEARO N#Cc1ccc(C(=O)N2CCC3(CCC([N@H+]4CC=CCC4)CC3)CC2)cc1 ZINC000071278699 571112577 /nfs/dbraw/zinc/11/25/77/571112577.db2.gz LRASUSKOKSSWCL-UHFFFAOYSA-N 1 0 363.505 3.985 50 30 FHEARO CCc1ccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000096524742 571140914 /nfs/dbraw/zinc/14/09/14/571140914.db2.gz WLJPKRXNRHGDRO-LJQANCHMSA-N 1 0 370.456 3.918 50 30 FHEARO COc1ccc([C@H](CNC(=O)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000012901913 571142946 /nfs/dbraw/zinc/14/29/46/571142946.db2.gz RYOPOAQQGLAIHI-NRFANRHFSA-N 1 0 363.461 3.524 50 30 FHEARO Cc1cc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)c2ccccc2[nH+]1 ZINC000004717864 571167811 /nfs/dbraw/zinc/16/78/11/571167811.db2.gz NQXFBBIGTSJRAW-UHFFFAOYSA-N 1 0 371.444 3.769 50 30 FHEARO C=CC[N@H+]1CC[C@H](Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)C1 ZINC000670451419 571352483 /nfs/dbraw/zinc/35/24/83/571352483.db2.gz SBOZMPIUMZQVKE-AWEZNQCLSA-N 1 0 369.465 3.772 50 30 FHEARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000007737649 207205261 /nfs/dbraw/zinc/20/52/61/207205261.db2.gz COGWCCASROJGHG-KRWDZBQOSA-N 1 0 365.502 3.924 50 30 FHEARO N#Cc1c(NC(=O)CC[N@@H+]2CCc3sccc3C2)sc2c1CCCC2 ZINC000010341602 207298868 /nfs/dbraw/zinc/29/88/68/207298868.db2.gz RPSPQHQKDJIPQY-UHFFFAOYSA-N 1 0 371.531 3.947 50 30 FHEARO N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000035672500 208136035 /nfs/dbraw/zinc/13/60/35/208136035.db2.gz UJXIBOOAJGJDQL-MRXNPFEDSA-N 1 0 365.462 3.919 50 30 FHEARO N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1 ZINC000092038149 209013111 /nfs/dbraw/zinc/01/31/11/209013111.db2.gz NMHUPALJHXSHQM-JTHBVZDNSA-N 1 0 373.500 3.727 50 30 FHEARO Cc1cc(N2CC[NH+](C3CCCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000004042909 132386268 /nfs/dbraw/zinc/38/62/68/132386268.db2.gz GSOYKOOBWAVEGP-UHFFFAOYSA-N 1 0 359.477 3.732 50 30 FHEARO N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1[C@H]1CCC[NH2+]C1 ZINC000071775743 136141169 /nfs/dbraw/zinc/14/11/69/136141169.db2.gz VKMNVXJMWQTVEY-KRWDZBQOSA-N 1 0 361.493 3.660 50 30 FHEARO O=[N+]([O-])c1cccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019773228 263376953 /nfs/dbraw/zinc/37/69/53/263376953.db2.gz LRKAQOSFONNHQK-XQNSMLJCSA-N 1 0 374.444 3.900 50 30 FHEARO CCOC(=O)C1CCN(c2ncc(/C=[NH+]/CCc3ccccc3)s2)CC1 ZINC000100907623 520587487 /nfs/dbraw/zinc/58/74/87/520587487.db2.gz VITBLHPXXKEKBQ-KGENOOAVSA-N 1 0 371.506 3.584 50 30 FHEARO CC[NH+](CC)CCOC(=O)Nc1ccc(C(=O)C=Cc2ccncc2)cc1 ZINC000019880621 520691434 /nfs/dbraw/zinc/69/14/34/520691434.db2.gz RKHKFZYXRMEILD-BJMVGYQFSA-N 1 0 367.449 3.868 50 30 FHEARO CCN(CC)c1ccc(/C=[NH+]/N2CCN(c3ccccc3OC)CC2)cc1 ZINC000000946050 535682652 /nfs/dbraw/zinc/68/26/52/535682652.db2.gz TVRAXDDYILJZRM-PTGBLXJZSA-N 1 0 366.509 3.698 50 30 FHEARO C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1 ZINC000019682254 570898272 /nfs/dbraw/zinc/89/82/72/570898272.db2.gz JGQSQTHHVFYQNZ-KOEQRZSOSA-N 1 0 354.457 3.803 50 30 FHEARO C(=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1ccccn1 ZINC000019807913 570903871 /nfs/dbraw/zinc/90/38/71/570903871.db2.gz HWPVZTDNLUJHLN-UQQQWYQISA-N 1 0 354.457 3.803 50 30 FHEARO Cc1c(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc(C#N)n1C ZINC000048363721 570951676 /nfs/dbraw/zinc/95/16/76/570951676.db2.gz QRIKRMGBYPQYNS-UHFFFAOYSA-N 1 0 356.901 3.613 50 30 FHEARO C=CCn1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)cc3C)C2)c1C ZINC000071774420 571052681 /nfs/dbraw/zinc/05/26/81/571052681.db2.gz NHYLGPHUZDEQJX-SFHVURJKSA-N 1 0 367.493 3.789 50 30 FHEARO C#CCN1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)CC1 ZINC000012910485 571143670 /nfs/dbraw/zinc/14/36/70/571143670.db2.gz UBZZXIPHFBDTPA-UHFFFAOYSA-N 1 0 369.468 3.601 50 30 FHEARO C=CCNC(=S)C(C(=O)c1ccc(OC(F)F)cc1)[n+]1ccccc1 ZINC000012655426 571180345 /nfs/dbraw/zinc/18/03/45/571180345.db2.gz YSRGQRVMKCGGEW-UHFFFAOYSA-O 1 0 363.409 3.562 50 30 FHEARO N#Cc1ccc(NC(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000299771613 571318833 /nfs/dbraw/zinc/31/88/33/571318833.db2.gz RNNMMDXARFUDTC-HXUWFJFHSA-N 1 0 363.465 3.520 50 30 FHEARO N#Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000299785551 571318882 /nfs/dbraw/zinc/31/88/82/571318882.db2.gz JZVPZYYVABBLSY-CTNGQTDRSA-N 1 0 360.461 3.687 50 30 FHEARO COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)[NH+](C)C)o2)cc1 ZINC000027664178 571319893 /nfs/dbraw/zinc/31/98/93/571319893.db2.gz BFFYUXOLKQCOJB-MRXNPFEDSA-N 1 0 352.394 3.530 50 30 FHEARO COc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)[NH+](C)C)o2)cc1 ZINC000027793364 571321364 /nfs/dbraw/zinc/32/13/64/571321364.db2.gz DLUSJMYBHISVNW-INIZCTEOSA-N 1 0 368.462 3.998 50 30 FHEARO Cc1ccc(C#N)c(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)n1 ZINC000082108162 571322702 /nfs/dbraw/zinc/32/27/02/571322702.db2.gz BQMQEQUXRPEAHS-UHFFFAOYSA-N 1 0 364.497 3.609 50 30 FHEARO Cn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(C(C)(C)C)n1 ZINC000179778961 939933503 /nfs/dbraw/zinc/93/35/03/939933503.db2.gz WVMZUKYLSLQTJT-UHFFFAOYSA-N 1 0 352.482 3.633 50 30 FHEARO CCn1c(C)nc2c1cc[n+](CC(=O)c1ccc(Br)cc1)c2C ZINC000003170309 209398018 /nfs/dbraw/zinc/39/80/18/209398018.db2.gz JIVLOKWROXTAQK-UHFFFAOYSA-N 1 0 373.274 3.606 50 30 FHEARO CC[NH+](CC)CCn1c2ccccc2c2cnc(/N=C/N(C)C)c(C#N)c21 ZINC000004082825 207000293 /nfs/dbraw/zinc/00/02/93/207000293.db2.gz FSSPFNPJPNQALE-BUVRLJJBSA-N 1 0 362.481 3.624 50 30 FHEARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000008777084 207249504 /nfs/dbraw/zinc/24/95/04/207249504.db2.gz SREVLTHLNQGCKA-KRWDZBQOSA-N 1 0 355.463 3.794 50 30 FHEARO Cc1ccc([C@@H]2CN(C(=O)c3ccccc3C#N)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095379938 209040851 /nfs/dbraw/zinc/04/08/51/209040851.db2.gz QKZXMAGDJALSLX-YTFSRNRJSA-N 1 0 371.484 3.569 50 30 FHEARO C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095995144 263430346 /nfs/dbraw/zinc/43/03/46/263430346.db2.gz LDGFGKDMEWVHOP-RXVVDRJESA-N 1 0 364.489 3.892 50 30 FHEARO C=CCc1cc(OC)ccc1OCCOCC[N@@H+]1CCc2ccccc2C1 ZINC000002844254 519132693 /nfs/dbraw/zinc/13/26/93/519132693.db2.gz IXSHTJUAGYJLHH-UHFFFAOYSA-N 1 0 367.489 3.877 50 30 FHEARO CCN(CCC#N)c1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(O)cc2)c(C)c1 ZINC000008747048 520979860 /nfs/dbraw/zinc/97/98/60/520979860.db2.gz ZFCFQLJCPKEUQI-VGSWGCGISA-N 1 0 367.493 3.652 50 30 FHEARO Cc1cc(C(=O)ONC(=[NH2+])Cc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000004819076 524194760 /nfs/dbraw/zinc/19/47/60/524194760.db2.gz RKFZZKDAGPWDJP-UHFFFAOYSA-N 1 0 363.373 3.728 50 30 FHEARO COc1ccccc1NC(=O)CC[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000244882772 524590292 /nfs/dbraw/zinc/59/02/92/524590292.db2.gz XYUAXMKTKCAGDF-UHFFFAOYSA-N 1 0 363.461 3.581 50 30 FHEARO Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccccc1 ZINC000002064316 525702331 /nfs/dbraw/zinc/70/23/31/525702331.db2.gz YPFAHYFGMGSNBG-UHFFFAOYSA-N 1 0 366.462 3.626 50 30 FHEARO Cc1ccc(C)c(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 ZINC000013758492 570789347 /nfs/dbraw/zinc/78/93/47/570789347.db2.gz QUYABGYJQJIULK-UHFFFAOYSA-O 1 0 364.444 3.783 50 30 FHEARO Cc1cc(C[NH+]2CCN(CCC#N)CC2)c(O)c(C2(C)CCCCC2)c1 ZINC000019857271 570904923 /nfs/dbraw/zinc/90/49/23/570904923.db2.gz QTDWKLVXZXCNFZ-UHFFFAOYSA-N 1 0 355.526 3.954 50 30 FHEARO C[N@H+](Cc1ccccc1NCC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000021698884 570932828 /nfs/dbraw/zinc/93/28/28/570932828.db2.gz NUYYYXSSTOBHPJ-JOCHJYFZSA-N 1 0 368.525 3.671 50 30 FHEARO C=CCOc1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000075092328 571055285 /nfs/dbraw/zinc/05/52/85/571055285.db2.gz IRUISYRYFVZDAX-UHFFFAOYSA-N 1 0 352.478 3.820 50 30 FHEARO C#CCN(Cn1c(=O)scc1-c1ccccn1)[C@H]1CCc2ccccc21 ZINC000068614299 571065223 /nfs/dbraw/zinc/06/52/23/571065223.db2.gz DMIGBCZEJJLUSY-IBGZPJMESA-N 1 0 361.470 3.552 50 30 FHEARO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000159910251 571103403 /nfs/dbraw/zinc/10/34/03/571103403.db2.gz KJOXABVLTNVLRH-JOCHJYFZSA-N 1 0 361.489 3.833 50 30 FHEARO C=CCc1cc(OC)cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1O ZINC000014183989 571120975 /nfs/dbraw/zinc/12/09/75/571120975.db2.gz BRAWHRXUSLKRRE-UHFFFAOYSA-N 1 0 369.461 3.705 50 30 FHEARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 ZINC000057993100 571123842 /nfs/dbraw/zinc/12/38/42/571123842.db2.gz NLQVPRJQLCSIHJ-QGZVFWFLSA-N 1 0 354.498 3.506 50 30 FHEARO N#Cc1c2c(c(NCC[NH+]3CCCCC3)n3c4ccccc4nc13)CCC2 ZINC000000945521 571134890 /nfs/dbraw/zinc/13/48/90/571134890.db2.gz MVEOKHICOGPIMP-UHFFFAOYSA-N 1 0 359.477 3.746 50 30 FHEARO N#Cc1cccc(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000054122314 571201818 /nfs/dbraw/zinc/20/18/18/571201818.db2.gz LEHOIEIIWZCUHU-UHFFFAOYSA-N 1 0 353.853 3.560 50 30 FHEARO CN1CC2(CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091461799 571319003 /nfs/dbraw/zinc/31/90/03/571319003.db2.gz HRPZMPWUGSVEEU-QFIPXVFZSA-N 1 0 373.500 3.786 50 30 FHEARO N#Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)cn1 ZINC000426477675 571322099 /nfs/dbraw/zinc/32/20/99/571322099.db2.gz DRESUKXCCIPZTF-KRWDZBQOSA-N 1 0 374.488 3.615 50 30 FHEARO C=CCCC[C@H](C)[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000095459862 571330184 /nfs/dbraw/zinc/33/01/84/571330184.db2.gz WVIJSLBEHNOWLA-KRWDZBQOSA-N 1 0 370.497 3.608 50 30 FHEARO C=CCn1c(C)cc(C(=O)COC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1C ZINC000095995834 571333596 /nfs/dbraw/zinc/33/35/96/571333596.db2.gz KFSBRGFYBDQNNP-UHFFFAOYSA-N 1 0 360.498 3.670 50 30 FHEARO CC1(C)CCC[N@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)C1 ZINC000004028600 571354214 /nfs/dbraw/zinc/35/42/14/571354214.db2.gz FNZNQMPYMHYTSI-MEILYROSSA-N 1 0 361.526 3.635 50 30 biogenic FHEARO CC[NH+](CC)[C@H](CNC(=O)CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000029919499 209831717 /nfs/dbraw/zinc/83/17/17/209831717.db2.gz BDWKKZVKFRLWMY-QFIPXVFZSA-N 1 0 363.505 3.560 50 30 FHEARO C#CC1(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CCCCC1 ZINC000012419842 209565632 /nfs/dbraw/zinc/56/56/32/209565632.db2.gz LIBKMQZWUQLYEQ-JOCHJYFZSA-N 1 0 355.522 3.655 50 30 FHEARO Cn1cc(CN2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000102663465 209239433 /nfs/dbraw/zinc/23/94/33/209239433.db2.gz SKESXAHCNOBXRW-HSZRJFAPSA-N 1 0 362.521 3.775 50 30 FHEARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1/[NH+]=C(\C)N(C)C ZINC000004578186 207029728 /nfs/dbraw/zinc/02/97/28/207029728.db2.gz KOZMFWPECLBZDS-RQZCQDPDSA-N 1 0 352.232 3.719 50 30 FHEARO COc1ccc([C@H](CNC(=O)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000005262172 207090751 /nfs/dbraw/zinc/09/07/51/207090751.db2.gz OEPJTIFGJLKJRQ-NRFANRHFSA-N 1 0 363.461 3.524 50 30 FHEARO N#Cc1c2c(c(N3CCCC3)nc1SCC[NH+]1CCCC1)CCCC2 ZINC000006719969 207156705 /nfs/dbraw/zinc/15/67/05/207156705.db2.gz ROVDGOTZMREVBD-UHFFFAOYSA-N 1 0 356.539 3.620 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)cc1 ZINC000071890547 208185102 /nfs/dbraw/zinc/18/51/02/208185102.db2.gz NDYTUSTUZDOSIT-QFIPXVFZSA-N 1 0 365.521 3.951 50 30 FHEARO COc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cc1OC ZINC000040067032 208220752 /nfs/dbraw/zinc/22/07/52/208220752.db2.gz BKDXHBMFCZBTIJ-LJQANCHMSA-N 1 0 352.434 3.791 50 30 FHEARO N#Cc1ccc(CN2CCC[N@H+](CCCc3ccccc3)CC2)c(F)c1 ZINC000095347315 209022051 /nfs/dbraw/zinc/02/20/51/209022051.db2.gz PEJRHGXBNDWSTE-UHFFFAOYSA-N 1 0 351.469 3.838 50 30 FHEARO N#Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000095081272 132206611 /nfs/dbraw/zinc/20/66/11/132206611.db2.gz DSFRBPUOCSVAIB-UHFFFAOYSA-N 1 0 356.267 3.643 50 30 FHEARO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2F)C[C@H](C)O1 ZINC000048749110 136123774 /nfs/dbraw/zinc/12/37/74/136123774.db2.gz IZYLHWRHICBASN-IYBDPMFKSA-N 1 0 353.441 3.601 50 30 FHEARO N=C(NOC(=O)c1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005013661 263337676 /nfs/dbraw/zinc/33/76/76/263337676.db2.gz SPXAXOXOQREILU-UHFFFAOYSA-N 1 0 361.357 3.739 50 30 FHEARO CN(C)c1ccc(/C=[NH+]/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019773334 263376707 /nfs/dbraw/zinc/37/67/07/263376707.db2.gz VEPHHCHIGHJTPK-PXLXIMEGSA-N 1 0 356.901 3.558 50 30 FHEARO C=CC[N@@H+](C)CCN(CC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000253431978 518742902 /nfs/dbraw/zinc/74/29/02/518742902.db2.gz VVEZYLAFPXWBKK-UHFFFAOYSA-N 1 0 360.527 3.617 50 30 FHEARO C=CCNC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711389 518931059 /nfs/dbraw/zinc/93/10/59/518931059.db2.gz HNEMPCSVYQAONU-MOPGFXCFSA-N 1 0 370.443 3.873 50 30 FHEARO C=CC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 ZINC000040737955 518952072 /nfs/dbraw/zinc/95/20/72/518952072.db2.gz ICOLBHLGEFHDGQ-UHFFFAOYSA-N 1 0 354.450 3.687 50 30 FHEARO CCc1ccccc1NC(=O)C[n+]1cc(-c2ccc(C)cc2)n2c1CCC2 ZINC000016955846 521882294 /nfs/dbraw/zinc/88/22/94/521882294.db2.gz DQZUPLJMTFZQGW-UHFFFAOYSA-O 1 0 360.481 3.898 50 30 FHEARO Cc1ccc(CC(=O)ONC(=[NH2+])Cc2ccc(Cl)cc2Cl)cc1 ZINC000004986370 524277822 /nfs/dbraw/zinc/27/78/22/524277822.db2.gz PXCWNFQUUFUVHY-UHFFFAOYSA-N 1 0 351.233 3.902 50 30 FHEARO N#CCCN(C(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000014672799 526448287 /nfs/dbraw/zinc/44/82/87/526448287.db2.gz OROJBLXGDMSANW-UHFFFAOYSA-N 1 0 361.489 3.888 50 30 FHEARO O=C(C[n+]1ccc(-c2cccs2)nc1)c1cccc(Br)c1 ZINC000005891375 527195465 /nfs/dbraw/zinc/19/54/65/527195465.db2.gz NFFCOYYDTYCKDM-UHFFFAOYSA-N 1 0 360.256 3.743 50 30 FHEARO N#Cc1c(N)nc2c(c1-c1cc(F)cc(F)c1)CN(Cc1ccco1)CC2 ZINC000072143956 570525947 /nfs/dbraw/zinc/52/59/47/570525947.db2.gz XZMNNNBIVCLYTG-UHFFFAOYSA-N 1 0 366.371 3.632 50 30 FHEARO [NH2+]=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005030325 570618770 /nfs/dbraw/zinc/61/87/70/570618770.db2.gz JGIQIDKZTQPDGV-UHFFFAOYSA-N 1 0 368.176 3.573 50 30 FHEARO CCc1nc(C#N)c(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+](C)C)o1 ZINC000032594255 570750512 /nfs/dbraw/zinc/75/05/12/570750512.db2.gz YWBDWUOXXMRSOS-AWEZNQCLSA-N 1 0 352.360 3.842 50 30 FHEARO CCc1ccc(C(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 ZINC000013758177 570789514 /nfs/dbraw/zinc/78/95/14/570789514.db2.gz FANWLXJOYIVBRZ-UHFFFAOYSA-N 1 0 361.465 3.843 50 30 FHEARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)Nc1ccc(Cl)cc1 ZINC000013770018 570790314 /nfs/dbraw/zinc/79/03/14/570790314.db2.gz GZTLOOPOZMYKRO-UHFFFAOYSA-O 1 0 370.835 3.820 50 30 FHEARO C=CCCC(=O)N1CCC(Oc2cc(C[N@H+](C)C(C)C)ccc2OC)CC1 ZINC000012219021 570892387 /nfs/dbraw/zinc/89/23/87/570892387.db2.gz LBHPILWQNGVBTD-UHFFFAOYSA-N 1 0 374.525 3.871 50 30 FHEARO CCc1cc(N2CC[C@H](C[N@@H+](C)CC)C2)n2c3ccccc3nc2c1C#N ZINC000072302147 571055482 /nfs/dbraw/zinc/05/54/82/571055482.db2.gz NDCZZNLIWIWJPJ-MRXNPFEDSA-N 1 0 361.493 3.700 50 30 FHEARO C#CCN(Cn1c(=O)scc1-c1ccccn1)[C@@H]1CCc2ccccc21 ZINC000068614296 571065238 /nfs/dbraw/zinc/06/52/38/571065238.db2.gz DMIGBCZEJJLUSY-LJQANCHMSA-N 1 0 361.470 3.552 50 30 FHEARO C=CCOc1ccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4=O)cc1 ZINC000019319741 571140746 /nfs/dbraw/zinc/14/07/46/571140746.db2.gz HTCSOHBABRIFJL-UHFFFAOYSA-N 1 0 368.521 3.749 50 30 FHEARO N#CC1(c2ccccc2)CC[NH+](C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299774475 571196516 /nfs/dbraw/zinc/19/65/16/571196516.db2.gz IUUINSYMKKZIFG-LJQANCHMSA-N 1 0 359.473 3.597 50 30 FHEARO N#CC1(c2ccccc2)CC[NH+](C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299774474 571196567 /nfs/dbraw/zinc/19/65/67/571196567.db2.gz IUUINSYMKKZIFG-IBGZPJMESA-N 1 0 359.473 3.597 50 30 FHEARO CC(C)[C@@H](NC(=O)CO[NH+]=Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000252452965 571278799 /nfs/dbraw/zinc/27/87/99/571278799.db2.gz RJPSTGXUIIEEKQ-LJQANCHMSA-N 1 0 359.495 3.678 50 30 FHEARO Cn1cc[n+](CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 ZINC000253470610 571318554 /nfs/dbraw/zinc/31/85/54/571318554.db2.gz PCCZPGPTPZNJTD-UHFFFAOYSA-N 1 0 356.243 3.625 50 30 FHEARO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c1 ZINC000091326965 571318794 /nfs/dbraw/zinc/31/87/94/571318794.db2.gz GMMKRTZMACZRMG-QFIPXVFZSA-N 1 0 351.494 3.705 50 30 FHEARO C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095995145 571333613 /nfs/dbraw/zinc/33/36/13/571333613.db2.gz LDGFGKDMEWVHOP-NQIIRXRSSA-N 1 0 364.489 3.892 50 30 FHEARO C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21)c1ccccc1 ZINC000004028400 571354147 /nfs/dbraw/zinc/35/41/47/571354147.db2.gz JQPOKDQOUBIXDQ-VWOPSUBDSA-N 1 0 369.505 3.864 50 30 biogenic FHEARO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)Nc1ccc(Cl)cn1 ZINC000329078924 942240938 /nfs/dbraw/zinc/24/09/38/942240938.db2.gz QQKFKAMBQNOYIB-KURKYZTESA-N 1 0 371.868 3.828 50 30 FHEARO CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21 ZINC000004028263 209406477 /nfs/dbraw/zinc/40/64/77/209406477.db2.gz JQWISHUBSOEHDO-WPYKKVEZSA-N 1 0 370.513 3.564 50 30 biogenic FHEARO Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(Cl)c3)c3n2CCC3)cc1 ZINC000016955866 207604397 /nfs/dbraw/zinc/60/43/97/207604397.db2.gz QYMIAKPTZAFEIE-UHFFFAOYSA-O 1 0 366.872 3.989 50 30 FHEARO C=C(C)C[NH+]1CCN(c2c3c(c(C#N)c4nc5ccccc5n42)CCC3)CC1 ZINC000052683519 132302152 /nfs/dbraw/zinc/30/21/52/132302152.db2.gz SQUKLCGQNKOEJX-UHFFFAOYSA-N 1 0 371.488 3.546 50 30 FHEARO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072153934 132303004 /nfs/dbraw/zinc/30/30/04/132303004.db2.gz PWAGRCIXRYSUDI-HXUWFJFHSA-N 1 0 373.516 3.541 50 30 FHEARO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102581 518719341 /nfs/dbraw/zinc/71/93/41/518719341.db2.gz YUVIDFOUBOQWDF-LJQANCHMSA-N 1 0 357.425 3.884 50 30 FHEARO C=CCSc1nnc([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1C ZINC000020271238 519089896 /nfs/dbraw/zinc/08/98/96/519089896.db2.gz LBUPVWHKPAHXPX-DBEXCURXSA-N 1 0 354.523 3.986 50 30 FHEARO C=CCc1ccccc1OCC[N@@H+](C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055357707 519142477 /nfs/dbraw/zinc/14/24/77/519142477.db2.gz GPWWOFXAMJDZBC-UHFFFAOYSA-N 1 0 366.436 3.907 50 30 FHEARO CCN(CC)c1ccc(C=[NH+]N2CCN(Cc3ccccc3)CC2)cc1 ZINC000238900280 520889961 /nfs/dbraw/zinc/88/99/61/520889961.db2.gz IMZIFRKFRVCUCI-UHFFFAOYSA-N 1 0 350.510 3.685 50 30 FHEARO COCC[N@H+](Cc1ccc(C#CC(C)(C)O)s1)Cc1ccc(C)cc1 ZINC000055089098 523742644 /nfs/dbraw/zinc/74/26/44/523742644.db2.gz HSMMGETYLNVWOD-UHFFFAOYSA-N 1 0 357.519 3.828 50 30 FHEARO Cc1nn(C)cc1-c1cc(-c2ccc([C@H](C)[NH+](C)C)cc2)c(C#N)c(N)n1 ZINC000071715203 570471726 /nfs/dbraw/zinc/47/17/26/570471726.db2.gz BSXQIXHWNRKMJN-AWEZNQCLSA-N 1 0 360.465 3.534 50 30 FHEARO CC(C)[C@@H]1CN(c2ccc(C#N)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071756974 570511627 /nfs/dbraw/zinc/51/16/27/570511627.db2.gz NMMJNXNSJJWUML-FQEVSTJZSA-N 1 0 352.457 3.829 50 30 FHEARO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071750724 570511656 /nfs/dbraw/zinc/51/16/56/570511656.db2.gz MZOICFZQTZAUFH-RBZQAINGSA-N 1 0 373.500 3.629 50 30 FHEARO COc1ccc([C@@H]2CN(Cc3ccccc3C#N)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071761393 570511882 /nfs/dbraw/zinc/51/18/82/570511882.db2.gz GGXJTTZLTLSCNA-RBZQAINGSA-N 1 0 373.500 3.629 50 30 FHEARO CC[NH+](CC)CCC[C@@H](C)NC(=NC(=O)c1ccccc1F)OC(C)C ZINC000005097348 570584741 /nfs/dbraw/zinc/58/47/41/570584741.db2.gz WVPGYUWKTFVPIA-MRXNPFEDSA-N 1 0 365.493 3.847 50 30 FHEARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(C)cc3C)c3n2CCC3)cc1 ZINC000013770273 570790262 /nfs/dbraw/zinc/79/02/62/570790262.db2.gz VGDAISMLRIMYHC-UHFFFAOYSA-O 1 0 360.481 3.953 50 30 FHEARO COc1cccc([C@H]2C(C(C)=O)=C(C)[NH+]=C3Nc4ccccc4N32)c1OC ZINC000015108055 570834163 /nfs/dbraw/zinc/83/41/63/570834163.db2.gz XYPRKAGJYQBUJV-IBGZPJMESA-N 1 0 363.417 3.910 50 30 FHEARO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000048308619 570943114 /nfs/dbraw/zinc/94/31/14/570943114.db2.gz HAVNLCXNIXFXRF-CQSZACIVSA-N 1 0 351.855 3.852 50 30 FHEARO C=CCc1cc(C[NH+]2CCC3(CCC(=O)N(CC)C3)CC2)ccc1OC ZINC000091487041 571063072 /nfs/dbraw/zinc/06/30/72/571063072.db2.gz RNPNSLLIAFBJCF-UHFFFAOYSA-N 1 0 356.510 3.648 50 30 FHEARO COc1ccc(CCC[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000072312065 571079971 /nfs/dbraw/zinc/07/99/71/571079971.db2.gz MVKDGMWJIQFFIK-UHFFFAOYSA-N 1 0 371.506 3.748 50 30 FHEARO Cc1cccc2cc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)c(=O)[nH]c12 ZINC000067833350 571150036 /nfs/dbraw/zinc/15/00/36/571150036.db2.gz MBLGQYQNBBQEIW-UHFFFAOYSA-N 1 0 357.457 3.894 50 30 FHEARO CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](C)CC1 ZINC000005918885 571168026 /nfs/dbraw/zinc/16/80/26/571168026.db2.gz XMWGPBDATLLXFC-UHFFFAOYSA-N 1 0 361.493 3.762 50 30 FHEARO N#Cc1ccc(C(=O)C[n+]2cn(Cc3ccccc3)c3ccccc32)cc1 ZINC000048523603 571308667 /nfs/dbraw/zinc/30/86/67/571308667.db2.gz HBXWZQCOYJSXME-UHFFFAOYSA-N 1 0 352.417 3.732 50 30 FHEARO COc1ccc([C@@H](CNc2oc(-c3ccccc3)nc2C#N)[NH+](C)C)cc1 ZINC000027793573 571321416 /nfs/dbraw/zinc/32/14/16/571321416.db2.gz RLBUDOFMPZLAFQ-LJQANCHMSA-N 1 0 362.433 3.937 50 30 FHEARO C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000095995142 571333599 /nfs/dbraw/zinc/33/35/99/571333599.db2.gz LDGFGKDMEWVHOP-GHTZIAJQSA-N 1 0 364.489 3.892 50 30 FHEARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000008580139 207237040 /nfs/dbraw/zinc/23/70/40/207237040.db2.gz QPGONMKIQIDGEX-SFHVURJKSA-N 1 0 361.555 3.796 50 30 FHEARO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000032824013 208046194 /nfs/dbraw/zinc/04/61/94/208046194.db2.gz YKVKZEAEXUPQIJ-UHFFFAOYSA-N 1 0 372.494 3.564 50 30 FHEARO N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000035672497 208135071 /nfs/dbraw/zinc/13/50/71/208135071.db2.gz UJXIBOOAJGJDQL-INIZCTEOSA-N 1 0 365.462 3.919 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000042743048 208295722 /nfs/dbraw/zinc/29/57/22/208295722.db2.gz CEWXGEUTKOWVED-UHFFFAOYSA-N 1 0 369.852 3.768 50 30 FHEARO N#Cc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000095080977 132206519 /nfs/dbraw/zinc/20/65/19/132206519.db2.gz ZULYPBDKNINMRT-UHFFFAOYSA-N 1 0 356.267 3.643 50 30 FHEARO N#Cc1ccc(Br)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000095080974 132206591 /nfs/dbraw/zinc/20/65/91/132206591.db2.gz JWVIBXDQDDQPCM-UHFFFAOYSA-N 1 0 356.267 3.643 50 30 FHEARO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2F)C[C@H](C)O1 ZINC000048749112 136123701 /nfs/dbraw/zinc/12/37/01/136123701.db2.gz IZYLHWRHICBASN-HOTGVXAUSA-N 1 0 353.441 3.601 50 30 FHEARO C#CCOc1ccc(Br)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000023424936 518321388 /nfs/dbraw/zinc/32/13/88/518321388.db2.gz ZYOUCZKRQLKQKK-UHFFFAOYSA-N 1 0 374.278 3.802 50 30 FHEARO C(=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)c1cccnc1 ZINC000239121077 518379362 /nfs/dbraw/zinc/37/93/62/518379362.db2.gz JGQSQTHHVFYQNZ-UHFFFAOYSA-N 1 0 354.457 3.803 50 30 FHEARO C[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#CC(C)(C)O)s1 ZINC000055119867 522780349 /nfs/dbraw/zinc/78/03/49/522780349.db2.gz PLQIDSYIYOGQSE-UHFFFAOYSA-N 1 0 361.482 3.911 50 30 FHEARO COc1ccc(-c2c[n+](CC(=O)c3ccccc3Cl)c3n2CCC3)cc1 ZINC000017246638 523080636 /nfs/dbraw/zinc/08/06/36/523080636.db2.gz CUEBBKFVDCKZAH-UHFFFAOYSA-N 1 0 367.856 3.934 50 30 FHEARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N(CC#Cc1ccccc1)C1CC1 ZINC000055088349 526467698 /nfs/dbraw/zinc/46/76/98/526467698.db2.gz GIBNZNMZEKYBIA-HXUWFJFHSA-N 1 0 362.473 3.534 50 30 FHEARO O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1ccccc1[N+](=O)[O-] ZINC000006342809 527193908 /nfs/dbraw/zinc/19/39/08/527193908.db2.gz IPRHABXFEMAQJL-UHFFFAOYSA-N 1 0 370.388 3.980 50 30 FHEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1 ZINC000015074879 527530234 /nfs/dbraw/zinc/53/02/34/527530234.db2.gz DMEJVUASLYUXDI-FQEVSTJZSA-N 1 0 370.443 3.775 50 30 FHEARO C[NH+]1CCN(c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n32)CC1 ZINC000002581637 536418399 /nfs/dbraw/zinc/41/83/99/536418399.db2.gz LPTQFHDOZHHZPQ-UHFFFAOYSA-N 1 0 367.456 3.778 50 30 FHEARO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000024862638 568192196 /nfs/dbraw/zinc/19/21/96/568192196.db2.gz YYUYDEHMPJIVPK-LBPRGKRZSA-N 1 0 358.423 3.550 50 30 FHEARO C[NH+](C)Cc1csc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c1 ZINC000071777126 570512201 /nfs/dbraw/zinc/51/22/01/570512201.db2.gz VWQUTSFIKGQODZ-UHFFFAOYSA-N 1 0 350.447 3.698 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@H](C)C(=O)C[C@@H]4C)[C@H]3C[C@@H]12 ZINC000061991162 570647414 /nfs/dbraw/zinc/64/74/14/570647414.db2.gz MIVSQBNBIGTKAZ-BLJDSTSXSA-N 1 0 359.510 3.600 50 30 FHEARO CCc1ccc(C[N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cc1 ZINC000029696391 571042566 /nfs/dbraw/zinc/04/25/66/571042566.db2.gz WLJPKRXNRHGDRO-IBGZPJMESA-N 1 0 370.456 3.918 50 30 FHEARO C=CCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012573067 571118267 /nfs/dbraw/zinc/11/82/67/571118267.db2.gz IKCRXAABNGIJKS-UHFFFAOYSA-N 1 0 364.489 3.688 50 30 FHEARO C=C(C)CC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 ZINC000012457797 571118389 /nfs/dbraw/zinc/11/83/89/571118389.db2.gz YIRQMAVXRGDWSC-SFHVURJKSA-N 1 0 374.525 3.651 50 30 FHEARO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000009834314 571119662 /nfs/dbraw/zinc/11/96/62/571119662.db2.gz SETORQVIJKPDKP-GJZGRUSLSA-N 1 0 368.481 3.534 50 30 FHEARO CCCOC(=NC(=O)c1ccccc1F)N[C@H](C)CCC[NH+](CC)CC ZINC000006274192 571169480 /nfs/dbraw/zinc/16/94/80/571169480.db2.gz ZMKOWPDGYZTNDR-MRXNPFEDSA-N 1 0 365.493 3.849 50 30 FHEARO CS[C@H]1CCC[C@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000076089923 571274244 /nfs/dbraw/zinc/27/42/44/571274244.db2.gz BJXBKVWZUYQBLC-MOPGFXCFSA-N 1 0 359.539 3.766 50 30 FHEARO COc1ccc(-c2cc[n+](CC(=O)c3ccc(Cl)cc3)cn2)cc1OC ZINC000048523498 571308722 /nfs/dbraw/zinc/30/87/22/571308722.db2.gz GCWNMYRIGPDZFG-UHFFFAOYSA-N 1 0 369.828 3.590 50 30 FHEARO N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077454596 571321077 /nfs/dbraw/zinc/32/10/77/571321077.db2.gz MVTBWIJUNIFORE-JOCHJYFZSA-N 1 0 351.494 3.705 50 30 FHEARO C[NH+](C)CCOc1ccccc1-c1cc(-c2ccc(O)cc2)nc(N)c1C#N ZINC000067694995 571321836 /nfs/dbraw/zinc/32/18/36/571321836.db2.gz JYYICFZIKQHYRU-UHFFFAOYSA-N 1 0 374.444 3.515 50 30 FHEARO C=CC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868720 571331841 /nfs/dbraw/zinc/33/18/41/571331841.db2.gz PRPMNHQFKVNPFJ-VXKWHMMOSA-N 1 0 355.453 3.705 50 30 FHEARO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000225736212 571338046 /nfs/dbraw/zinc/33/80/46/571338046.db2.gz JVZGKIKKBQOSBE-UHFFFAOYSA-N 1 0 354.425 3.887 50 30 FHEARO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000029225282 571342200 /nfs/dbraw/zinc/34/22/00/571342200.db2.gz WNUCVTAINHIIPC-UHFFFAOYSA-N 1 0 358.445 3.899 50 30 FHEARO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)cn1 ZINC000329078928 942240741 /nfs/dbraw/zinc/24/07/41/942240741.db2.gz QQKFKAMBQNOYIB-SQNIBIBYSA-N 1 0 371.868 3.828 50 30 FHEARO CC(=NNC1=[NH+]CCN1Cc1ccccc1)c1ccc(Br)cc1 ZINC000004299851 207010387 /nfs/dbraw/zinc/01/03/87/207010387.db2.gz XCEWTWLHHLNELJ-KGENOOAVSA-N 1 0 371.282 3.635 50 30 FHEARO N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091493794 208979663 /nfs/dbraw/zinc/97/96/63/208979663.db2.gz USPINQAWFZYZEY-RBBKRZOGSA-N 1 0 373.500 3.727 50 30 FHEARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC000095366515 209031407 /nfs/dbraw/zinc/03/14/07/209031407.db2.gz DPLVEVYHFFKHKB-OAQYLSRUSA-N 1 0 359.473 3.539 50 30 FHEARO C=CC[N@@H+](C)C1CCC2(CC1)CCN(C(=O)c1ccccc1OC)CC2 ZINC000067675185 221269070 /nfs/dbraw/zinc/26/90/70/221269070.db2.gz FOCRJGDAOWDLKW-UHFFFAOYSA-N 1 0 356.510 3.978 50 30 FHEARO N#Cc1c(Br)cccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000095080979 132206669 /nfs/dbraw/zinc/20/66/69/132206669.db2.gz VXEZVBPGJVTZTI-UHFFFAOYSA-N 1 0 356.267 3.643 50 30 FHEARO C#CCN(Cc1ccc(C)cc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000068364017 518260346 /nfs/dbraw/zinc/26/03/46/518260346.db2.gz KISWEHNFPQIRMX-LJQANCHMSA-N 1 0 355.507 3.504 50 30 FHEARO Cc1ccc(OC[C@H]2CCC[N@H+](Cc3cc(C#CCO)cs3)C2)cc1 ZINC000055371106 525438145 /nfs/dbraw/zinc/43/81/45/525438145.db2.gz KAVXHZDRFDBUKC-IBGZPJMESA-N 1 0 355.503 3.691 50 30 FHEARO Cc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000004682081 525942008 /nfs/dbraw/zinc/94/20/08/525942008.db2.gz INWIBUJXLQNCIU-UHFFFAOYSA-N 1 0 353.205 3.544 50 30 FHEARO N#Cc1ccccc1C[NH+]1CCC(Cc2nncn2-c2ccccc2)CC1 ZINC000082121286 526735505 /nfs/dbraw/zinc/73/55/05/526735505.db2.gz ASNKKWRYXKSNEP-UHFFFAOYSA-N 1 0 357.461 3.594 50 30 FHEARO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)CSc1ccccc1 ZINC000004978463 526813867 /nfs/dbraw/zinc/81/38/67/526813867.db2.gz WQRIJFDIVLAEFU-UHFFFAOYSA-N 1 0 350.443 3.990 50 30 FHEARO N#Cc1c(N)nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccco1)CC2 ZINC000072174280 570526443 /nfs/dbraw/zinc/52/64/43/570526443.db2.gz NJLBBEGDTQBXTH-UHFFFAOYSA-N 1 0 369.428 3.835 50 30 FHEARO C=CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011760824 570594381 /nfs/dbraw/zinc/59/43/81/570594381.db2.gz NGSUYPDTJXSJDW-HXUWFJFHSA-N 1 0 374.500 3.621 50 30 FHEARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(Cl)cc3)c3n2CCC3)cc1 ZINC000017015746 570864885 /nfs/dbraw/zinc/86/48/85/570864885.db2.gz BXJKJSDFTTUXDG-UHFFFAOYSA-O 1 0 366.872 3.989 50 30 FHEARO C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1ccncc1 ZINC000019808650 570903878 /nfs/dbraw/zinc/90/38/78/570903878.db2.gz GPZDYTLXFCWDQP-KOEQRZSOSA-N 1 0 354.457 3.803 50 30 FHEARO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccn1)CCC2 ZINC000072311932 571079603 /nfs/dbraw/zinc/07/96/03/571079603.db2.gz DKBNABOWUOTFQW-QGZVFWFLSA-N 1 0 366.490 3.669 50 30 FHEARO C=CCn1c2cc3c(cc2cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1=O)CCC3 ZINC000012191538 571117690 /nfs/dbraw/zinc/11/76/90/571117690.db2.gz GSMDPQNHOVQTSM-HXUWFJFHSA-N 1 0 366.505 3.723 50 30 FHEARO COc1ccc(C(=O)C[n+]2cccc3ccc4cccnc4c32)cc1OC ZINC000043191253 571132993 /nfs/dbraw/zinc/13/29/93/571132993.db2.gz UTFGWHPDTZJRBW-UHFFFAOYSA-N 1 0 359.405 3.576 50 30 FHEARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)CC1=C(c2ccccc2)CCC1=O ZINC000072431728 571195734 /nfs/dbraw/zinc/19/57/34/571195734.db2.gz OCLGEKBZKIDINZ-SFHVURJKSA-N 1 0 354.494 3.526 50 30 FHEARO N#Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000170639797 571277156 /nfs/dbraw/zinc/27/71/56/571277156.db2.gz VTJBYHDKCPYUBA-UHFFFAOYSA-N 1 0 363.461 3.952 50 30 FHEARO Cc1nccn1Cc1cccc(C[NH2+]Cc2c(C)c(C#N)n3ccccc23)c1 ZINC000079073539 571326855 /nfs/dbraw/zinc/32/68/55/571326855.db2.gz YHXTYXSTYXHZIB-UHFFFAOYSA-N 1 0 369.472 3.962 50 30 FHEARO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000003438789 571349703 /nfs/dbraw/zinc/34/97/03/571349703.db2.gz OEPJTIFGJLKJRQ-OAQYLSRUSA-N 1 0 363.461 3.524 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)CCc4ccccn4)[C@H]3C[C@H]12 ZINC000003999762 571353768 /nfs/dbraw/zinc/35/37/68/571353768.db2.gz SFTDMSJFDWODLH-XARADAHVSA-N 1 0 368.521 3.870 50 30 biogenic FHEARO CC1(C)CCC[N@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)C1 ZINC000004028601 571354219 /nfs/dbraw/zinc/35/42/19/571354219.db2.gz FNZNQMPYMHYTSI-YVJBSZDSSA-N 1 0 361.526 3.635 50 30 biogenic FHEARO Cc1cc(C)n(-c2ccc(N3CCC([N@@H+]4CCC[C@@H](C#N)C4)CC3)cc2)n1 ZINC000023543821 940639113 /nfs/dbraw/zinc/63/91/13/940639113.db2.gz LPBPLZCVWNTHNB-IBGZPJMESA-N 1 0 363.509 3.694 50 30 FHEARO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](COCc3cccnc3)C2)cc1 ZINC000257191096 942656990 /nfs/dbraw/zinc/65/69/90/942656990.db2.gz OXKLNYHBBNLHBL-IBGZPJMESA-N 1 0 357.404 3.627 50 30 FHEARO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@@H]1CCn2ccnc2C1 ZINC000329354168 943006845 /nfs/dbraw/zinc/00/68/45/943006845.db2.gz VGVNWOZUUXKNPX-RHSMWYFYSA-N 1 0 353.470 3.791 50 30 FHEARO C[C@@H]1CC[C@H]2[C@@H](C[N@@H+]3CCCC(C)(C)C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000012897614 220039977 /nfs/dbraw/zinc/03/99/77/220039977.db2.gz ZOZKVDKCXFLHAQ-SSDRTJPVSA-N 1 0 361.526 3.634 50 30 FHEARO CCOc1ccc(NC(=O)C(C[NH+](C)C)=C(C)NNc2ccccc2)cc1 ZINC000005593066 207108445 /nfs/dbraw/zinc/10/84/45/207108445.db2.gz OSKLLCPAFRXLMZ-NGIIGVMLSA-N 1 0 368.481 3.690 50 30 FHEARO O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1ccccc1 ZINC000005735244 207114676 /nfs/dbraw/zinc/11/46/76/207114676.db2.gz YPJWOEOUXSJPCF-UHFFFAOYSA-N 1 0 354.227 3.682 50 30 FHEARO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cccc2)c1 ZINC000047011107 208370638 /nfs/dbraw/zinc/37/06/38/208370638.db2.gz XNXSRDYOGGZOAB-UHFFFAOYSA-N 1 0 372.472 3.553 50 30 FHEARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000095363646 209028917 /nfs/dbraw/zinc/02/89/17/209028917.db2.gz ICXPWBCJBNWCDE-JOCHJYFZSA-N 1 0 373.500 3.900 50 30 FHEARO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000009117720 263359088 /nfs/dbraw/zinc/35/90/88/263359088.db2.gz VMVSTDSOEITFFC-INIZCTEOSA-N 1 0 351.450 3.658 50 30 FHEARO CCN(CC)c1ccc(/C=[NH+]\N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000019773028 263376683 /nfs/dbraw/zinc/37/66/83/263376683.db2.gz HXXNBXJQFGTMLM-MOHJPFBDSA-N 1 0 364.537 3.993 50 30 FHEARO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000022015880 263385420 /nfs/dbraw/zinc/38/54/20/263385420.db2.gz JPPFAXYFXOHVJM-OAQYLSRUSA-N 1 0 366.509 3.946 50 30 FHEARO C#CCOc1c(Cl)cc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1OC ZINC000017318084 518317132 /nfs/dbraw/zinc/31/71/32/518317132.db2.gz IWJMOPLYORRSDV-UHFFFAOYSA-N 1 0 358.869 3.716 50 30 FHEARO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102579 518725814 /nfs/dbraw/zinc/72/58/14/518725814.db2.gz YUVIDFOUBOQWDF-IBGZPJMESA-N 1 0 357.425 3.884 50 30 FHEARO COc1cc(/C=C/C(=O)c2cccnc2)ccc1OCC[NH+]1CCCCC1 ZINC000006381039 521941547 /nfs/dbraw/zinc/94/15/47/521941547.db2.gz KJZPYOXCKJLCIH-VQHVLOKHSA-N 1 0 366.461 3.851 50 30 FHEARO COc1cc(/C=C\C(=O)c2cccnc2)ccc1OCC[NH+]1CCCCC1 ZINC000004566686 521984122 /nfs/dbraw/zinc/98/41/22/521984122.db2.gz KJZPYOXCKJLCIH-CLFYSBASSA-N 1 0 366.461 3.851 50 30 FHEARO Cc1ccc(C)c(OCC[N@@H+](C)Cc2ccc(C#CC(C)(C)O)s2)c1 ZINC000055119125 524175645 /nfs/dbraw/zinc/17/56/45/524175645.db2.gz VTUPYQDXNWIAQH-UHFFFAOYSA-N 1 0 357.519 3.998 50 30 FHEARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)C1 ZINC000011612355 525383440 /nfs/dbraw/zinc/38/34/40/525383440.db2.gz LSCGZJZKKAPTNP-FGTMMUONSA-N 1 0 364.489 3.775 50 30 FHEARO N#Cc1c(N)nc(-c2cc(F)cc(C(F)(F)F)c2)cc1C1CC[NH2+]CC1 ZINC000071753821 570511435 /nfs/dbraw/zinc/51/14/35/570511435.db2.gz QKCQWNBBJSGSGZ-UHFFFAOYSA-N 1 0 364.346 3.827 50 30 FHEARO C[NH+](C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(cccc2F)s1 ZINC000005115670 570586479 /nfs/dbraw/zinc/58/64/79/570586479.db2.gz KFEQVWBRINKWSU-UHFFFAOYSA-N 1 0 368.437 3.515 50 30 FHEARO COc1cc2c(cc1OC)[C@H]1C/C(=N\OC(C)=O)[C@H](CC(C)C)C[N@@H+]1CC2 ZINC000015306811 570836893 /nfs/dbraw/zinc/83/68/93/570836893.db2.gz HAPOKUSVNOKHRF-FPGHEGDGSA-N 1 0 374.481 3.588 50 30 FHEARO COc1cc2c(cc1OC)[C@H]1C/C(=N\OC(C)=O)[C@@H](CC(C)C)C[N@@H+]1CC2 ZINC000015306814 570837018 /nfs/dbraw/zinc/83/70/18/570837018.db2.gz HAPOKUSVNOKHRF-ZRWTVWRYSA-N 1 0 374.481 3.588 50 30 FHEARO O=C(Cn1c(-c2ccccc2)c[n+]2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000017179965 570870333 /nfs/dbraw/zinc/87/03/33/570870333.db2.gz UPWLSOBQQNFUAH-UHFFFAOYSA-N 1 0 358.377 3.685 50 30 FHEARO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cc3cc(F)ccc3n1C)CC2 ZINC000091695115 571063095 /nfs/dbraw/zinc/06/30/95/571063095.db2.gz YORVOJDQXBNTKR-UHFFFAOYSA-N 1 0 369.484 3.708 50 30 FHEARO C=C(Cl)COc1nc2cc(F)ccc2cc1C[NH2+]CCCn1ccnc1 ZINC000011911784 571116779 /nfs/dbraw/zinc/11/67/79/571116779.db2.gz LVIBJOJLHRUICA-UHFFFAOYSA-N 1 0 374.847 3.882 50 30 FHEARO C=C(C)CN(CC)C(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012373387 571117934 /nfs/dbraw/zinc/11/79/34/571117934.db2.gz XSTGRWOQCBDZMO-UHFFFAOYSA-N 1 0 374.525 3.985 50 30 FHEARO CC1(C)Cc2c(C#N)c(NC(=O)COc3ccccc3)sc2C(C)(C)[NH2+]1 ZINC000000894749 571124524 /nfs/dbraw/zinc/12/45/24/571124524.db2.gz MRGUKYCHZGCUBQ-UHFFFAOYSA-N 1 0 369.490 3.797 50 30 FHEARO CCCOC(=NC(=O)c1ccccc1F)N[C@@H](C)CCC[NH+](CC)CC ZINC000006274190 571169476 /nfs/dbraw/zinc/16/94/76/571169476.db2.gz ZMKOWPDGYZTNDR-INIZCTEOSA-N 1 0 365.493 3.849 50 30 FHEARO Cc1ccc(CN2CCN([NH+]=Cc3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC000015745860 571235490 /nfs/dbraw/zinc/23/54/90/571235490.db2.gz ZTVGLYQXLJPIDF-UHFFFAOYSA-N 1 0 350.510 3.521 50 30 FHEARO C[C@@H]1CC[C@H]2[C@H](C[N@@H+]3CCCC(C)(C)C3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000006851726 571250585 /nfs/dbraw/zinc/25/05/85/571250585.db2.gz ZOZKVDKCXFLHAQ-BIKQZGESSA-N 1 0 361.526 3.634 50 30 biogenic FHEARO N#Cc1ccc(NC(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000299771610 571318797 /nfs/dbraw/zinc/31/87/97/571318797.db2.gz RNNMMDXARFUDTC-FQEVSTJZSA-N 1 0 363.465 3.520 50 30 FHEARO CC(C)c1nc(CN(C)CCCC(=O)Nc2ccc(C#N)cc2)cs1 ZINC000252489417 571319625 /nfs/dbraw/zinc/31/96/25/571319625.db2.gz JQQGJMKOFIUSHZ-UHFFFAOYSA-N 1 0 356.495 3.989 50 30 FHEARO N#Cc1cccc(-c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)n1 ZINC000426398030 571322014 /nfs/dbraw/zinc/32/20/14/571322014.db2.gz IQJAAEUUKWOUHF-UHFFFAOYSA-N 1 0 374.488 3.711 50 30 FHEARO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)C1 ZINC000426389262 571322028 /nfs/dbraw/zinc/32/20/28/571322028.db2.gz MLVPOSUUIHIDSU-IBGZPJMESA-N 1 0 351.425 3.531 50 30 FHEARO N#Cc1ccc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)cc1Cl ZINC000426690582 571322264 /nfs/dbraw/zinc/32/22/64/571322264.db2.gz MPOVBCOLOAJPQP-IBGZPJMESA-N 1 0 365.864 3.799 50 30 FHEARO C=CC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868718 571331831 /nfs/dbraw/zinc/33/18/31/571331831.db2.gz PRPMNHQFKVNPFJ-FCHUYYIVSA-N 1 0 355.453 3.705 50 30 FHEARO C=CC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868726 571331869 /nfs/dbraw/zinc/33/18/69/571331869.db2.gz PRPMNHQFKVNPFJ-YADHBBJMSA-N 1 0 355.453 3.705 50 30 FHEARO C=CCOc1c(Br)cc(C[NH2+]CCCOCC)cc1OC ZINC000002178107 206742299 /nfs/dbraw/zinc/74/22/99/206742299.db2.gz XWHNTJNNENZMIC-UHFFFAOYSA-N 1 0 358.276 3.539 50 30 FHEARO C[C@@H](C(=O)c1ccc(Br)cc1)[n+]1cccc(Br)c1 ZINC000003131048 206958790 /nfs/dbraw/zinc/95/87/90/206958790.db2.gz SEMBLYUEGMCKHP-JTQLQIEISA-N 1 0 370.064 3.943 50 30 FHEARO C[NH+](C)CCCNc1cc(C(F)(F)F)c(C#N)c2nc3ccccc3n21 ZINC000004115356 207000735 /nfs/dbraw/zinc/00/07/35/207000735.db2.gz WASBZJCVSTVJFG-UHFFFAOYSA-N 1 0 361.371 3.742 50 30 FHEARO CC[NH+](CC)CCCNc1c2c(c(C#N)c3nc4ccccc4n31)CCC2 ZINC000004136181 207002884 /nfs/dbraw/zinc/00/28/84/207002884.db2.gz VQQIYRDBVXWEHH-UHFFFAOYSA-N 1 0 361.493 3.992 50 30 FHEARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000007737648 207204669 /nfs/dbraw/zinc/20/46/69/207204669.db2.gz COGWCCASROJGHG-QGZVFWFLSA-N 1 0 365.502 3.924 50 30 FHEARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000095507357 209067893 /nfs/dbraw/zinc/06/78/93/209067893.db2.gz SQOVOUXOQLFGQI-OAQYLSRUSA-N 1 0 359.473 3.652 50 30 FHEARO N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1C1CC[NH2+]CC1 ZINC000071404041 136139138 /nfs/dbraw/zinc/13/91/38/136139138.db2.gz CZAICEVHBNCOOH-UHFFFAOYSA-N 1 0 361.493 3.660 50 30 FHEARO Cc1ccc(CCC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000029168379 263390477 /nfs/dbraw/zinc/39/04/77/263390477.db2.gz XFUHRZPKZHXNRY-QFIPXVFZSA-N 1 0 355.526 3.694 50 30 FHEARO C=CCC[C@@H](C[N@H+](C)C1CCN(C)CC1)Oc1cc(C(C)C)nc(C)n1 ZINC000067757040 518710646 /nfs/dbraw/zinc/71/06/46/518710646.db2.gz OZLIGKUMIMZMKC-IBGZPJMESA-N 1 0 360.546 3.648 50 30 FHEARO C=CCn1cc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 ZINC000020539881 519278891 /nfs/dbraw/zinc/27/88/91/519278891.db2.gz HIVOEPOMQHCLDI-FQEVSTJZSA-N 1 0 356.489 3.613 50 30 FHEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+](C)CCCC)C2 ZINC000014543200 519286637 /nfs/dbraw/zinc/28/66/37/519286637.db2.gz FPSHIHNQQGRZKH-GOSISDBHSA-N 1 0 372.557 3.675 50 30 FHEARO COc1ccc(C(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cc1OC ZINC000005101076 523769010 /nfs/dbraw/zinc/76/90/10/523769010.db2.gz XBMFRMJZQGFNFC-UHFFFAOYSA-N 1 0 364.401 3.529 50 30 FHEARO C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000014122483 570516939 /nfs/dbraw/zinc/51/69/39/570516939.db2.gz FNVAGAKKVPJVGA-ZDUSSCGKSA-N 1 0 350.447 3.799 50 30 FHEARO O=C(C[n+]1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000002896444 570543698 /nfs/dbraw/zinc/54/36/98/570543698.db2.gz HKSPRQUYPFAAJE-UHFFFAOYSA-O 1 0 351.813 3.763 50 30 FHEARO CCCCCCCCCCCCCC[NH+](CCC(N)=O)CCC(N)=O ZINC000135727639 570568773 /nfs/dbraw/zinc/56/87/73/570568773.db2.gz PXKVXAVEDDWFPX-UHFFFAOYSA-N 1 0 355.567 3.740 50 30 FHEARO Cc1ccc(C(=[NH2+])NOC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000006797709 570654495 /nfs/dbraw/zinc/65/44/95/570654495.db2.gz LAPHCWLBCDZGTO-LLVKDONJSA-N 1 0 367.232 3.933 50 30 FHEARO Cc1cccc(C)c1NC(=O)C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000013758212 570789454 /nfs/dbraw/zinc/78/94/54/570789454.db2.gz BDTCLASBSGCBGU-UHFFFAOYSA-O 1 0 364.444 3.783 50 30 FHEARO C=CCN(CC=C)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012205954 571117684 /nfs/dbraw/zinc/11/76/84/571117684.db2.gz GAKLPYHMFGILJV-JOCHJYFZSA-N 1 0 372.553 3.865 50 30 FHEARO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000009834316 571119839 /nfs/dbraw/zinc/11/98/39/571119839.db2.gz SETORQVIJKPDKP-HUUCEWRRSA-N 1 0 368.481 3.534 50 30 FHEARO C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000001045428 571158630 /nfs/dbraw/zinc/15/86/30/571158630.db2.gz LBXIBQQYUBUMMK-AERDPVEMSA-N 1 0 366.461 3.744 50 30 FHEARO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000026807967 571198399 /nfs/dbraw/zinc/19/83/99/571198399.db2.gz NFSHPOFMBFJDFL-AWEZNQCLSA-N 1 0 350.871 3.535 50 30 FHEARO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCCSCc1ccccc1C#N ZINC000016695768 571212702 /nfs/dbraw/zinc/21/27/02/571212702.db2.gz OIKFOAZJRDTISB-QGZVFWFLSA-N 1 0 367.518 3.601 50 30 FHEARO N#Cc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCC4)c3n2)cc1 ZINC000253470534 571318541 /nfs/dbraw/zinc/31/85/41/571318541.db2.gz CEYZWWUTENQYAF-UHFFFAOYSA-N 1 0 355.445 3.923 50 30 FHEARO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c1 ZINC000091326963 571318825 /nfs/dbraw/zinc/31/88/25/571318825.db2.gz GMMKRTZMACZRMG-JOCHJYFZSA-N 1 0 351.494 3.705 50 30 FHEARO Cc1ccc([C@@H]2C[N@H+](Cc3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072436138 571319162 /nfs/dbraw/zinc/31/91/62/571319162.db2.gz YLDWJELECDEZEM-RBZQAINGSA-N 1 0 357.501 3.929 50 30 FHEARO C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21)c1ccccc1 ZINC000004028401 571354189 /nfs/dbraw/zinc/35/41/89/571354189.db2.gz JQPOKDQOUBIXDQ-RUZUTBJTSA-N 1 0 369.505 3.864 50 30 biogenic FHEARO C=CC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020868723 210157561 /nfs/dbraw/zinc/15/75/61/210157561.db2.gz PRPMNHQFKVNPFJ-FGZHOGPDSA-N 1 0 355.453 3.705 50 30 FHEARO Cc1ccccc1CN1C[C@@H]2C[C@@H](C#Cc3ccccc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012453927 210140184 /nfs/dbraw/zinc/14/01/84/210140184.db2.gz VRHQEXSKNPLMTQ-ARNLJNQMSA-N 1 0 370.496 3.612 50 30 FHEARO C=C(C)CC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 ZINC000012457798 210139447 /nfs/dbraw/zinc/13/94/47/210139447.db2.gz YIRQMAVXRGDWSC-GOSISDBHSA-N 1 0 374.525 3.651 50 30 FHEARO C=CCOC[C@H](O)C[N@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004606501 210104393 /nfs/dbraw/zinc/10/43/93/210104393.db2.gz ZQPLAKLDEKLSNH-JOCHJYFZSA-N 1 0 374.500 3.697 50 30 FHEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)Cc4ccccc4)[C@H]3[C@@H]3O[C@]312 ZINC000004084428 219540271 /nfs/dbraw/zinc/54/02/71/219540271.db2.gz GUEMLDIJFWCIGQ-RUZUTBJTSA-N 1 0 369.505 3.644 50 30 biogenic FHEARO C[N@@H+]1CCc2nc(SCc3ccccc3Br)c(C#N)cc2C1 ZINC000019851641 211260584 /nfs/dbraw/zinc/26/05/84/211260584.db2.gz CLKZQJVBFYJDQJ-UHFFFAOYSA-N 1 0 374.307 3.996 50 30 FHEARO O=[N+]([O-])c1ccccc1/C=N/N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019773112 211254555 /nfs/dbraw/zinc/25/45/55/211254555.db2.gz APRJNEQYSCRAMY-XQNSMLJCSA-N 1 0 374.444 3.900 50 30 FHEARO CCCCCCCC(=O)O[C@@H](CN1CCCC1=O)C[NH+]1CCCCCC1 ZINC000017595986 211185911 /nfs/dbraw/zinc/18/59/11/211185911.db2.gz VWPBDXJKLFVDPP-LJQANCHMSA-N 1 0 366.546 3.757 50 30 FHEARO C[NH+](C)CCNc1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N ZINC000002428072 210398272 /nfs/dbraw/zinc/39/82/72/210398272.db2.gz YBPMOMUPZJVNKF-UHFFFAOYSA-N 1 0 362.433 3.766 50 30 FHEARO CC1(C)SC(=S)N(c2ccccc2)[C@@H]1[N+](=O)Cc1ccc(O)cc1 ZINC000002266403 210388381 /nfs/dbraw/zinc/38/83/81/210388381.db2.gz ZHWYYRMKYPRLLP-JJBLJPBOSA-N 1 0 358.488 3.964 50 30 FHEARO CC1(C)SC(=S)N(c2ccccc2)[C@H]1[N+](=O)Cc1ccc(O)cc1 ZINC000002266405 210388014 /nfs/dbraw/zinc/38/80/14/210388014.db2.gz ZHWYYRMKYPRLLP-BKAYVGFPSA-N 1 0 358.488 3.964 50 30 FHEARO COc1ccc(C(=O)C[n+]2cc(Br)cc3ccccc32)cc1 ZINC000001668844 210366460 /nfs/dbraw/zinc/36/64/60/210366460.db2.gz FLFXKMFBRSSEEP-UHFFFAOYSA-N 1 0 357.227 3.781 50 30 FHEARO CC[NH+](CC)CCNc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000001472984 210356493 /nfs/dbraw/zinc/35/64/93/210356493.db2.gz OPPRXNURMZWNBU-UHFFFAOYSA-N 1 0 361.493 3.992 50 30 FHEARO C[C@H]1CN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2F)C[C@H](C)O1 ZINC000048749084 136123749 /nfs/dbraw/zinc/12/37/49/136123749.db2.gz JKZKDSWOOAQSDE-HOTGVXAUSA-N 1 0 353.441 3.601 50 30 FHEARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000097472962 222182721 /nfs/dbraw/zinc/18/27/21/222182721.db2.gz ROYYFFVLQBYLCN-UHFFFAOYSA-N 1 0 354.429 3.859 50 30 FHEARO C=CCOc1c(Br)cc(C[NH2+]Cc2ccncc2)cc1OC ZINC000006703505 263346514 /nfs/dbraw/zinc/34/65/14/263346514.db2.gz ZEFCTJWEMROPGA-UHFFFAOYSA-N 1 0 363.255 3.707 50 30 FHEARO C[NH+](C)Cc1cccc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)c1 ZINC000299759629 521921181 /nfs/dbraw/zinc/92/11/81/521921181.db2.gz MHGLNKVPROATPB-UHFFFAOYSA-N 1 0 362.473 3.571 50 30 FHEARO COc1ccc(C(=O)ONC(=[NH2+])Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000004977895 523769051 /nfs/dbraw/zinc/76/90/51/523769051.db2.gz OUQXSCOHDQGZDV-UHFFFAOYSA-N 1 0 353.205 3.674 50 30 FHEARO C[NH+]1CCN(Cn2cc(/C=C/C(=O)c3cccs3)c3ccccc32)CC1 ZINC000020504095 523912899 /nfs/dbraw/zinc/91/28/99/523912899.db2.gz XGSLBWZXEAULJC-CMDGGOBGSA-N 1 0 365.502 3.804 50 30 FHEARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000107064684 525832070 /nfs/dbraw/zinc/83/20/70/525832070.db2.gz BJXBKVWZUYQBLC-RBUKOAKNSA-N 1 0 359.539 3.766 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC(c3nccn3Cc3cscn3)CC2)cc1 ZINC000091808242 570872908 /nfs/dbraw/zinc/87/29/08/570872908.db2.gz NEWRWLRSJYDHPX-UHFFFAOYSA-N 1 0 363.490 3.639 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccnc4)no3)CC2)cc1 ZINC000069848465 571103850 /nfs/dbraw/zinc/10/38/50/571103850.db2.gz QNVQLENPDAGLLH-LJQANCHMSA-N 1 0 371.444 3.773 50 30 FHEARO O=C(C[n+]1ccc(-c2cccs2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000328579858 571192425 /nfs/dbraw/zinc/19/24/25/571192425.db2.gz DZHQTMFTEOPMQV-PFONDFGASA-O 1 0 364.372 3.817 50 30 FHEARO [NH2+]=C(NC[C@@H]1CCCO1)SCc1cc(=O)oc2ccc3ccccc3c12 ZINC000007665457 571285437 /nfs/dbraw/zinc/28/54/37/571285437.db2.gz KMQBQLLDLGDGSE-HNNXBMFYSA-N 1 0 368.458 3.673 50 30 FHEARO COc1ccccc1[C@@H](CNc1oc(-c2ccco2)nc1C#N)[NH+](C)C ZINC000027664458 571319961 /nfs/dbraw/zinc/31/99/61/571319961.db2.gz JJGKNXIAIHTLSN-OAHLLOKOSA-N 1 0 352.394 3.530 50 30 FHEARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccccc2C#N)C1 ZINC000095527817 571331261 /nfs/dbraw/zinc/33/12/61/571331261.db2.gz UUXNEWNWYLPKEQ-HXUWFJFHSA-N 1 0 361.489 3.585 50 30 FHEARO Cc1nc(CC2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)CC2)no1 ZINC000215723391 571339960 /nfs/dbraw/zinc/33/99/60/571339960.db2.gz UZVRSCGYGSOBJE-UHFFFAOYSA-N 1 0 362.433 3.964 50 30 FHEARO CC12CN(Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2=NO ZINC000004154660 571356251 /nfs/dbraw/zinc/35/62/51/571356251.db2.gz NHTUUBFWQICOBQ-UHFFFAOYSA-N 1 0 363.505 3.861 50 30 FHEARO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CCn2ccnc2C1 ZINC000329354169 943007263 /nfs/dbraw/zinc/00/72/63/943007263.db2.gz VGVNWOZUUXKNPX-WMLDXEAASA-N 1 0 353.470 3.791 50 30 FHEARO C=CCCC(=O)N1CCC([N@@H+]2CCC[C@H]2COCc2ccccc2)CC1 ZINC000217595669 210172839 /nfs/dbraw/zinc/17/28/39/210172839.db2.gz KWEYIWQCPCRUCG-NRFANRHFSA-N 1 0 356.510 3.625 50 30 FHEARO C=CCc1cc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)c(O)c(OC)c1 ZINC000033033988 210167454 /nfs/dbraw/zinc/16/74/54/210167454.db2.gz PAPYOPUZYSKSCJ-UHFFFAOYSA-N 1 0 357.450 3.779 50 30 FHEARO C#C[C@@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)C[C@H](C#C)N1Cc1ccccc1 ZINC000022581031 210160237 /nfs/dbraw/zinc/16/02/37/210160237.db2.gz RZPRZMVXVOSGBW-VSWHNUGGSA-N 1 0 358.529 3.777 50 30 FHEARO C=CCn1c2ccccc2nc1NCc1cc(OC)c(OC)c(OC)c1 ZINC000006160493 210107990 /nfs/dbraw/zinc/10/79/90/210107990.db2.gz SQDBZHWPQQSBOO-UHFFFAOYSA-N 1 0 353.422 3.860 50 30 FHEARO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cc2cnccn2)cc1OCC ZINC000055370889 210069033 /nfs/dbraw/zinc/06/90/33/210069033.db2.gz RMBFTJNXZWHXNN-CQSZACIVSA-N 1 0 361.873 3.814 50 30 FHEARO CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000012550374 220006627 /nfs/dbraw/zinc/00/66/27/220006627.db2.gz URGYLMBGZJCSIT-UHFFFAOYSA-N 1 0 368.481 3.691 50 30 FHEARO COc1cc(C[NH2+]C2CCCCC2)cc(Br)c1OCC#N ZINC000016578985 211162466 /nfs/dbraw/zinc/16/24/66/211162466.db2.gz BFBZYTZLIRJPOR-UHFFFAOYSA-N 1 0 353.260 3.782 50 30 FHEARO COc1c(F)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)cc1Cl ZINC000067604205 221262040 /nfs/dbraw/zinc/26/20/40/221262040.db2.gz KBOAOQWYCQENRJ-ZUZCIYMTSA-N 1 0 372.831 3.695 50 30 FHEARO COC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067726367 221277700 /nfs/dbraw/zinc/27/77/00/221277700.db2.gz LNAVXNLHYHLXKT-SFHVURJKSA-N 1 0 369.490 3.873 50 30 FHEARO C[NH+](C)Cc1csc(-c2cc(-c3cccc(O)c3)c(C#N)c(N)n2)c1 ZINC000071405610 221346118 /nfs/dbraw/zinc/34/61/18/221346118.db2.gz NRTLLDAEJVMREW-UHFFFAOYSA-N 1 0 350.447 3.698 50 30 FHEARO C=CC[C@]1(CO)CCC[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000091664883 132303765 /nfs/dbraw/zinc/30/37/65/132303765.db2.gz VGMNHFXDRMXZAB-QHCPKHFHSA-N 1 0 354.538 3.795 50 30 FHEARO CCOc1cc(N2CCOCC2)c(OCC)cc1NC1=[NH+]CCCCC1 ZINC000002638042 263145425 /nfs/dbraw/zinc/14/54/25/263145425.db2.gz HVSHIYJPTYPFNV-UHFFFAOYSA-N 1 0 361.486 3.514 50 30 FHEARO CN(Cc1ccccc1)C(=O)CC[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000244608506 523325866 /nfs/dbraw/zinc/32/58/66/523325866.db2.gz FDXWGAZFYBFZMG-UHFFFAOYSA-N 1 0 361.489 3.592 50 30 FHEARO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000024668222 567891439 /nfs/dbraw/zinc/89/14/39/567891439.db2.gz FQQQUIKXVWDUPI-KRWDZBQOSA-N 1 0 374.444 3.908 50 30 FHEARO Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)C[N@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368172 570587418 /nfs/dbraw/zinc/58/74/18/570587418.db2.gz ORRZVXBXIVSUAD-YTQUADARSA-N 1 0 351.512 3.601 50 30 FHEARO Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C[N@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368175 570587492 /nfs/dbraw/zinc/58/74/92/570587492.db2.gz ORRZVXBXIVSUAD-WDSOQIARSA-N 1 0 351.512 3.601 50 30 FHEARO CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 ZINC000013777447 570791062 /nfs/dbraw/zinc/79/10/62/570791062.db2.gz QREBECCNKCYQMO-UHFFFAOYSA-O 1 0 360.481 3.898 50 30 FHEARO N#Cc1ccccc1NCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000032830038 570818529 /nfs/dbraw/zinc/81/85/29/570818529.db2.gz KTXCNDFXCXYABH-UHFFFAOYSA-N 1 0 374.410 3.811 50 30 FHEARO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1F ZINC000025358761 570994989 /nfs/dbraw/zinc/99/49/89/570994989.db2.gz UWSVJRCNSWSWSF-IBGZPJMESA-N 1 0 365.452 3.779 50 30 FHEARO COc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cc1OC ZINC000040067030 571071027 /nfs/dbraw/zinc/07/10/27/571071027.db2.gz BKDXHBMFCZBTIJ-IBGZPJMESA-N 1 0 352.434 3.791 50 30 FHEARO C#CC1(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)CCCCC1 ZINC000012419845 571097566 /nfs/dbraw/zinc/09/75/66/571097566.db2.gz LIBKMQZWUQLYEQ-QFIPXVFZSA-N 1 0 355.522 3.655 50 30 FHEARO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000027105751 571275668 /nfs/dbraw/zinc/27/56/68/571275668.db2.gz UOOPBFIKTRHLEU-UHFFFAOYSA-N 1 0 362.433 3.561 50 30 FHEARO CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c2ccccc2c1OC ZINC000003791397 571352489 /nfs/dbraw/zinc/35/24/89/571352489.db2.gz IDZASIQMRGPBCQ-KRWDZBQOSA-N 1 0 365.477 3.714 50 30 investigational FHEARO COc1c2c(cc3c1[C@H](C/C(CCC=C(C)C)=N/O)[N@H+](C)CC3)OCO2 ZINC000004030014 571354207 /nfs/dbraw/zinc/35/42/07/571354207.db2.gz ZWCOOCOWDXKMES-WASCAKKMSA-N 1 0 360.454 3.920 50 30 biogenic FHEARO C=C(C)C[N@@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014753193 210145800 /nfs/dbraw/zinc/14/58/00/210145800.db2.gz JWIRVPSIURLTED-GOSISDBHSA-N 1 0 372.557 3.530 50 30 FHEARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1O ZINC000065393564 210099474 /nfs/dbraw/zinc/09/94/74/210099474.db2.gz IJYJHGJVEQBBMZ-WOJBJXKFSA-N 1 0 369.530 3.529 50 30 FHEARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1F ZINC000299772129 210019199 /nfs/dbraw/zinc/01/91/99/210019199.db2.gz YOCDLABRCICKNH-UHFFFAOYSA-N 1 0 360.458 3.663 50 30 FHEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC4=CCCCC4)[C@H]3[C@@H]3O[C@]312 ZINC000004041522 219536786 /nfs/dbraw/zinc/53/67/86/219536786.db2.gz CBJRUAZKWGJCSM-RUZUTBJTSA-N 1 0 373.537 3.992 50 30 biogenic FHEARO CCOc1cc(C=NNC(N)=[NH2+])ccc1OCc1cccc2ccccc21 ZINC000033362293 211602529 /nfs/dbraw/zinc/60/25/29/211602529.db2.gz ZTRRQDSEIKGMNG-CFRMEGHHSA-N 1 0 362.433 3.634 50 30 FHEARO COc1cccc([C@@H]2C(C(C)=O)=C(C)[NH+]=C3Nc4ccccc4N32)c1OC ZINC000015108053 211123895 /nfs/dbraw/zinc/12/38/95/211123895.db2.gz XYPRKAGJYQBUJV-LJQANCHMSA-N 1 0 363.417 3.910 50 30 FHEARO Cc1ccc(-c2c[n+](CC(=O)Nc3ccc(C)c(C)c3)c3n2CCC3)cc1 ZINC000013771066 211059011 /nfs/dbraw/zinc/05/90/11/211059011.db2.gz IPILQAYMJWKSFM-UHFFFAOYSA-O 1 0 360.481 3.953 50 30 FHEARO Cc1cccc(NC(=O)c2cccc(C[N@H+](C)C[C@@H]3CCCO3)c2)c1C#N ZINC000067754657 221280630 /nfs/dbraw/zinc/28/06/30/221280630.db2.gz JFZHRNKVHXNEBL-IBGZPJMESA-N 1 0 363.461 3.730 50 30 FHEARO C=CCNc1nc(N2CC[NH+](C3CCCCC3)CC2)nc2ccccc21 ZINC000041150820 132301002 /nfs/dbraw/zinc/30/10/02/132301002.db2.gz HSHRKDCXRZWYHN-UHFFFAOYSA-N 1 0 351.498 3.682 50 30 FHEARO C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)cnn32)CC1 ZINC000005245957 132306190 /nfs/dbraw/zinc/30/61/90/132306190.db2.gz NDZFBNPGONUOTJ-UHFFFAOYSA-N 1 0 361.493 3.711 50 30 FHEARO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000097492032 222184247 /nfs/dbraw/zinc/18/42/47/222184247.db2.gz ZAQKVTWUKFWNHZ-UHFFFAOYSA-N 1 0 372.852 3.631 50 30 FHEARO C=CCOc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc1OC ZINC000009983757 263362753 /nfs/dbraw/zinc/36/27/53/263362753.db2.gz KYPWSQCBPVCUMI-UHFFFAOYSA-N 1 0 368.477 3.512 50 30 FHEARO C=CCNC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711387 518931287 /nfs/dbraw/zinc/93/12/87/518931287.db2.gz HNEMPCSVYQAONU-OALUTQOASA-N 1 0 370.443 3.873 50 30 FHEARO C=CCc1cc(C[NH+]2CCN(c3ccccc3F)CC2)c(O)c(OC)c1 ZINC000012597815 519129489 /nfs/dbraw/zinc/12/94/89/519129489.db2.gz GECVTSLELOPNPV-UHFFFAOYSA-N 1 0 356.441 3.591 50 30 FHEARO CN(C)[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(F)c1 ZINC000022924267 522029096 /nfs/dbraw/zinc/02/90/96/522029096.db2.gz LRLJFFHZSRGZHC-NRFANRHFSA-N 1 0 354.473 3.568 50 30 FHEARO O=C(C[n+]1ccc(-c2cccc3ccccc32)nc1)c1cccc([N+](=O)[O-])c1 ZINC000006342589 527196461 /nfs/dbraw/zinc/19/64/61/527196461.db2.gz DYRNFCVWJDECMK-UHFFFAOYSA-N 1 0 370.388 3.980 50 30 FHEARO N#Cc1ccc(N2CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2)nc1 ZINC000072158131 570526383 /nfs/dbraw/zinc/52/63/83/570526383.db2.gz SAXDRMILIRVTEB-QFIPXVFZSA-N 1 0 360.505 3.734 50 30 FHEARO CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025230102 570992433 /nfs/dbraw/zinc/99/24/33/570992433.db2.gz GFKWWIUSSIQTQY-HNNXBMFYSA-N 1 0 364.898 3.729 50 30 FHEARO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000070007973 571107554 /nfs/dbraw/zinc/10/75/54/571107554.db2.gz RCNCZKAAWKCJBO-OAQYLSRUSA-N 1 0 357.473 3.700 50 30 FHEARO CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1[N+](=O)Cc1ccc(O)cc1 ZINC000004786006 571236195 /nfs/dbraw/zinc/23/61/95/571236195.db2.gz ZOZJZCZSQAPROD-WBRURWICSA-N 1 0 372.515 3.960 50 30 FHEARO N#Cc1c(N)n[nH]c1CCCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000006909131 571254286 /nfs/dbraw/zinc/25/42/86/571254286.db2.gz LNVGXQAYFGOZAT-UHFFFAOYSA-N 1 0 352.269 3.673 50 30 FHEARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1[NH+]=C(C)N(C)C ZINC000252617233 571286218 /nfs/dbraw/zinc/28/62/18/571286218.db2.gz KOZMFWPECLBZDS-UHFFFAOYSA-N 1 0 352.232 3.719 50 30 FHEARO COc1ccccc1[C@@H](CNc1oc(-c2ccccc2)nc1C#N)[NH+](C)C ZINC000027562406 571317615 /nfs/dbraw/zinc/31/76/15/571317615.db2.gz FKJYRWYABBIAFX-GOSISDBHSA-N 1 0 362.433 3.937 50 30 FHEARO N#Cc1ccccc1C[N@H+]1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077454591 571321052 /nfs/dbraw/zinc/32/10/52/571321052.db2.gz MVTBWIJUNIFORE-QFIPXVFZSA-N 1 0 351.494 3.705 50 30 FHEARO N#Cc1ccnc(-c2ccc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)c1 ZINC000426370315 571322004 /nfs/dbraw/zinc/32/20/04/571322004.db2.gz FGMRYGOBYSOGGI-UHFFFAOYSA-N 1 0 374.488 3.711 50 30 FHEARO N#Cc1cccc(-c2cccc(C(=O)NCC3(C[NH+]4CCCC4)CC3)c2)c1 ZINC000426399105 571322040 /nfs/dbraw/zinc/32/20/40/571322040.db2.gz WXLJXHJOKSECRP-UHFFFAOYSA-N 1 0 359.473 3.831 50 30 FHEARO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)Nc1ccc(Cl)cn1 ZINC000329078922 942240751 /nfs/dbraw/zinc/24/07/51/942240751.db2.gz QQKFKAMBQNOYIB-FGTMMUONSA-N 1 0 371.868 3.828 50 30 FHEARO N#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](COCc3cccnc3)C2)cc1 ZINC000257191097 942657366 /nfs/dbraw/zinc/65/73/66/942657366.db2.gz OXKLNYHBBNLHBL-LJQANCHMSA-N 1 0 357.404 3.627 50 30 FHEARO COc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)[NH+](C)C)o2)cc1 ZINC000027793361 211472821 /nfs/dbraw/zinc/47/28/21/211472821.db2.gz DLUSJMYBHISVNW-MRXNPFEDSA-N 1 0 368.462 3.998 50 30 FHEARO C[N@@H+]1CCc2nc(SCc3cccc(Br)c3)c(C#N)cc2C1 ZINC000019852717 211260231 /nfs/dbraw/zinc/26/02/31/211260231.db2.gz QHNPRSOZROKNOG-UHFFFAOYSA-N 1 0 374.307 3.996 50 30 FHEARO Cc1ccc(NC(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000016973233 211173454 /nfs/dbraw/zinc/17/34/54/211173454.db2.gz MLVSYYXRWQEPSU-UHFFFAOYSA-O 1 0 366.872 3.989 50 30 FHEARO N#Cc1cccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000016422329 211160752 /nfs/dbraw/zinc/16/07/52/211160752.db2.gz PNLNNWCLFUTFHJ-UHFFFAOYSA-N 1 0 360.383 3.684 50 30 FHEARO COc1c2c(cc3c1[C@H](C/C(=N/O)[C@H]1CC=C(C)CC1)[N@H+](C)CC3)OCO2 ZINC000020411770 220325748 /nfs/dbraw/zinc/32/57/48/220325748.db2.gz LURJWDVAWXQBDF-GFWBCYJCSA-N 1 0 372.465 3.920 50 30 FHEARO Cc1ccc2cc(C3(O)CC[NH+](Cc4cccc(C#N)c4)CC3)ccc2n1 ZINC000067869183 221297930 /nfs/dbraw/zinc/29/79/30/221297930.db2.gz MKTZGKOCIAGLQW-UHFFFAOYSA-N 1 0 357.457 3.899 50 30 FHEARO CC(C)(C)c1ccc(C(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004391838 519022765 /nfs/dbraw/zinc/02/27/65/519022765.db2.gz YJWNHRLZCSAASF-UHFFFAOYSA-N 1 0 355.394 3.564 50 30 FHEARO COc1ccc(C(=O)C[N@+]2(C)CCc3[nH]c4ccccc4c3C2)cc1F ZINC000245246046 523594009 /nfs/dbraw/zinc/59/40/09/523594009.db2.gz GOJVNOUQXOSGCF-XMMPIXPASA-N 1 0 353.417 3.701 50 30 FHEARO C[NH+]1CCN(Cn2cc(/C=C/C(=O)c3ccccc3)c3ccccc32)CC1 ZINC000020533503 523913501 /nfs/dbraw/zinc/91/35/01/523913501.db2.gz XYFKJAJAPHELHU-VAWYXSNFSA-N 1 0 359.473 3.742 50 30 FHEARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N(CC#Cc1ccccc1)C1CC1 ZINC000055088350 526537878 /nfs/dbraw/zinc/53/78/78/526537878.db2.gz GIBNZNMZEKYBIA-FQEVSTJZSA-N 1 0 362.473 3.534 50 30 FHEARO O=C(C[n+]1ccc(C=Cc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000002267927 527195219 /nfs/dbraw/zinc/19/52/19/527195219.db2.gz OJKCNTHDYHCWIV-VOTSOKGWSA-N 1 0 358.417 3.799 50 30 FHEARO O/N=C(\CCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000004811706 527589299 /nfs/dbraw/zinc/58/92/99/527589299.db2.gz YHUSZJFVJPKOKC-YFJJEWJYSA-N 1 0 366.461 3.906 50 30 FHEARO COc1cccc([C@H]2C[N@H+](Cc3ccccc3C#N)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072167761 570526369 /nfs/dbraw/zinc/52/63/69/570526369.db2.gz WSWGEUBYCNJCQH-WXFUMESZSA-N 1 0 373.500 3.629 50 30 FHEARO CC(C)(C)c1nc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cs1 ZINC000329516664 570617265 /nfs/dbraw/zinc/61/72/65/570617265.db2.gz YVTQHGWABNISGB-UHFFFAOYSA-N 1 0 365.543 3.780 50 30 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CC[N@H+](C)C1(CNC(=O)c2ccc(-c3cccnc3C#N)cc2)CCCC1 ZINC000426395096 571322036 /nfs/dbraw/zinc/32/20/36/571322036.db2.gz ATYZRRIEUSEFLQ-UHFFFAOYSA-N 1 0 362.477 3.615 50 30 FHEARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426563405 571322170 /nfs/dbraw/zinc/32/21/70/571322170.db2.gz QSQKQYQQJYMYEG-QGZVFWFLSA-N 1 0 359.473 3.924 50 30 FHEARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000095385893 571329162 /nfs/dbraw/zinc/32/91/62/571329162.db2.gz WINZOMSADWIXSL-NRFANRHFSA-N 1 0 359.473 3.539 50 30 FHEARO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095386811 571329192 /nfs/dbraw/zinc/32/91/92/571329192.db2.gz ILOWWZVAULOYDL-SFHVURJKSA-N 1 0 363.490 3.639 50 30 FHEARO Cc1cnc(-c2ccncc2)n1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000581808222 940617057 /nfs/dbraw/zinc/61/70/57/940617057.db2.gz YFZOVVRDUFYWKA-OAQYLSRUSA-N 1 0 357.461 3.962 50 30 FHEARO C=CCN(CC=C)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012205962 210139025 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50 30 FHEARO COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1C[NH+]1CCCC1 ZINC000071681170 221353384 /nfs/dbraw/zinc/35/33/84/221353384.db2.gz HONWCYLUPKZBNN-UHFFFAOYSA-N 1 0 373.460 3.802 50 30 FHEARO C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12)c1ccccc1 ZINC000105381792 222368365 /nfs/dbraw/zinc/36/83/65/222368365.db2.gz UARIRGJWHKWMHN-MEXDPVRDSA-N 1 0 369.505 3.863 50 30 FHEARO CC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 ZINC000017245888 518363874 /nfs/dbraw/zinc/36/38/74/518363874.db2.gz PDIFLFWPSKBRAO-UHFFFAOYSA-O 1 0 374.464 3.539 50 30 FHEARO C=CCNC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711386 518921334 /nfs/dbraw/zinc/92/13/34/518921334.db2.gz HNEMPCSVYQAONU-RBUKOAKNSA-N 1 0 370.443 3.873 50 30 FHEARO C[C@@H](NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21)c1ccccc1 ZINC000006275527 525133730 /nfs/dbraw/zinc/13/37/30/525133730.db2.gz UFTPBBHPDJVSEG-LJQANCHMSA-O 1 0 370.476 3.855 50 30 FHEARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1 ZINC000005554281 525383123 /nfs/dbraw/zinc/38/31/23/525383123.db2.gz LSCGZJZKKAPTNP-KSZLIROESA-N 1 0 364.489 3.775 50 30 FHEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1cc(Cl)ccc1Cl ZINC000004978571 526814175 /nfs/dbraw/zinc/81/41/75/526814175.db2.gz MCBFUMNAOCVDAU-UHFFFAOYSA-N 1 0 368.176 3.573 50 30 FHEARO Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)C[N@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368171 570587346 /nfs/dbraw/zinc/58/73/46/570587346.db2.gz ORRZVXBXIVSUAD-NZSAHSFTSA-N 1 0 351.512 3.601 50 30 FHEARO COc1c2c(cc3c1[C@H](C/C(=N/O)[C@@H]1CC=C(C)CC1)[N@H+](C)CC3)OCO2 ZINC000033957518 570638958 /nfs/dbraw/zinc/63/89/58/570638958.db2.gz LURJWDVAWXQBDF-YFFDSABZSA-N 1 0 372.465 3.920 50 30 FHEARO CC(C)[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000032836212 570819265 /nfs/dbraw/zinc/81/92/65/570819265.db2.gz IMPBUXDREHALEK-NRFANRHFSA-N 1 0 352.434 3.695 50 30 FHEARO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000330246140 570880284 /nfs/dbraw/zinc/88/02/84/570880284.db2.gz LBYJUTNNCSEAOB-INIZCTEOSA-N 1 0 361.873 3.938 50 30 FHEARO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000049771098 570965999 /nfs/dbraw/zinc/96/59/99/570965999.db2.gz RMVRYDICNVBEMN-UHFFFAOYSA-N 1 0 369.852 3.768 50 30 FHEARO Cc1cccc(NC(=S)N2CCC([N@H+](C)C[C@@H]3CCCO3)CC2)c1C ZINC000008672165 571054709 /nfs/dbraw/zinc/05/47/09/571054709.db2.gz AAUCERIZRHJGAI-SFHVURJKSA-N 1 0 361.555 3.796 50 30 FHEARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cc1 ZINC000008777085 571061481 /nfs/dbraw/zinc/06/14/81/571061481.db2.gz SREVLTHLNQGCKA-QGZVFWFLSA-N 1 0 355.463 3.794 50 30 FHEARO Cc1ccc(-c2cc[n+](CC(=O)c3ccc(Br)cc3)cn2)cc1 ZINC000005683876 571280754 /nfs/dbraw/zinc/28/07/54/571280754.db2.gz GZMUNFUSKAJTGZ-UHFFFAOYSA-N 1 0 368.254 3.990 50 30 FHEARO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000008746175 571320885 /nfs/dbraw/zinc/32/08/85/571320885.db2.gz MWDFJSUOXHUPKN-UHFFFAOYSA-N 1 0 368.868 3.951 50 30 FHEARO O=C(C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)Nc1ccc(Cl)cn1 ZINC000329078927 942241016 /nfs/dbraw/zinc/24/10/16/942241016.db2.gz QQKFKAMBQNOYIB-KZNAEPCWSA-N 1 0 371.868 3.828 50 30 FHEARO C=CCCC(=O)N(CC)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012580377 210141363 /nfs/dbraw/zinc/14/13/63/210141363.db2.gz YWSOQDSLDSDBBK-HXUWFJFHSA-N 1 0 358.526 3.764 50 30 FHEARO C=CCc1cccc2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc21 ZINC000004593584 210103374 /nfs/dbraw/zinc/10/33/74/210103374.db2.gz CVAJAETVXHAONK-UHFFFAOYSA-N 1 0 368.477 3.561 50 30 FHEARO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cc2cnccn2)cc1OCC ZINC000055370887 210068874 /nfs/dbraw/zinc/06/88/74/210068874.db2.gz RMBFTJNXZWHXNN-AWEZNQCLSA-N 1 0 361.873 3.814 50 30 FHEARO CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@@H]21 ZINC000012659616 220016430 /nfs/dbraw/zinc/01/64/30/220016430.db2.gz JQWISHUBSOEHDO-RRPUWOKSSA-N 1 0 370.513 3.564 50 30 FHEARO Cc1ccc(Cl)cc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000013787165 211059667 /nfs/dbraw/zinc/05/96/67/211059667.db2.gz IDHOZVOEQUEUJN-UHFFFAOYSA-O 1 0 366.872 3.989 50 30 FHEARO CC1(C)Cc2c(C#N)c(NC(=O)Cc3ccccc3)sc2C(C)(C)[NH2+]1 ZINC000000894740 210288682 /nfs/dbraw/zinc/28/86/82/210288682.db2.gz PYUDFYXTGKWWBC-UHFFFAOYSA-N 1 0 353.491 3.960 50 30 FHEARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(F)c(C#N)c3)c2)C1 ZINC000426389263 263574036 /nfs/dbraw/zinc/57/40/36/263574036.db2.gz MLVPOSUUIHIDSU-LJQANCHMSA-N 1 0 351.425 3.531 50 30 FHEARO CC(C)(C)c1ccc(C(=[NH2+])NOC(=O)CCOc2ccc(F)cc2)cc1 ZINC000004389588 519011180 /nfs/dbraw/zinc/01/11/80/519011180.db2.gz WEGRIDRUSLTNJC-UHFFFAOYSA-N 1 0 358.413 3.756 50 30 FHEARO C=CCc1ccc(OCC(=O)Nc2ccccc2C[NH+](C)C)c(OC)c1 ZINC000024643300 519136249 /nfs/dbraw/zinc/13/62/49/519136249.db2.gz KGAFHLXDLIQJFB-UHFFFAOYSA-N 1 0 354.450 3.503 50 30 FHEARO C=CCc1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000020482398 519138289 /nfs/dbraw/zinc/13/82/89/519138289.db2.gz SSNILAIRJJCZKF-UHFFFAOYSA-N 1 0 366.505 3.620 50 30 FHEARO C=CCn1cc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 ZINC000020539879 519278548 /nfs/dbraw/zinc/27/85/48/519278548.db2.gz HIVOEPOMQHCLDI-HXUWFJFHSA-N 1 0 356.489 3.613 50 30 FHEARO CC[NH+](CC)CCOC(=O)Nc1ccc(C(=O)C=Cc2ccncc2)cc1 ZINC000004531797 520692031 /nfs/dbraw/zinc/69/20/31/520692031.db2.gz RKHKFZYXRMEILD-YHYXMXQVSA-N 1 0 367.449 3.868 50 30 FHEARO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000022926740 522673395 /nfs/dbraw/zinc/67/33/95/522673395.db2.gz CRBMORRHRYBCDS-FQEVSTJZSA-N 1 0 352.482 3.556 50 30 FHEARO CN(C)C=[NH+]c1c(C(=O)c2ccccc2)sc2nccc(N(C)C)c21 ZINC000252626099 524041829 /nfs/dbraw/zinc/04/18/29/524041829.db2.gz QWCQBDVIOBSXCW-UHFFFAOYSA-N 1 0 352.463 3.815 50 30 FHEARO CS[C@@H]1CCC[C@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000107064690 525839948 /nfs/dbraw/zinc/83/99/48/525839948.db2.gz BJXBKVWZUYQBLC-RTBURBONSA-N 1 0 359.539 3.766 50 30 FHEARO COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCC#N)cc1)[N@H+](C)CC2 ZINC000002500360 560187084 /nfs/dbraw/zinc/18/70/84/560187084.db2.gz AXPKCHVXKOSJDD-FQEVSTJZSA-N 1 0 366.461 3.768 50 30 biogenic,in-vitro FHEARO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000159910114 571103420 /nfs/dbraw/zinc/10/34/20/571103420.db2.gz KJOXABVLTNVLRH-QFIPXVFZSA-N 1 0 361.489 3.833 50 30 FHEARO COc1ccc2c(ccc[n+]2CC(=O)c2cccc(Br)c2)c1 ZINC000004543129 571131716 /nfs/dbraw/zinc/13/17/16/571131716.db2.gz CRRKSWQYJKFWOO-UHFFFAOYSA-N 1 0 357.227 3.781 50 30 FHEARO CS[C@H]1CCC[C@@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000076089926 571274234 /nfs/dbraw/zinc/27/42/34/571274234.db2.gz BJXBKVWZUYQBLC-OALUTQOASA-N 1 0 359.539 3.766 50 30 FHEARO CC(C)[C@H](NC(=O)CO[NH+]=Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000252452964 571278792 /nfs/dbraw/zinc/27/87/92/571278792.db2.gz RJPSTGXUIIEEKQ-IBGZPJMESA-N 1 0 359.495 3.678 50 30 FHEARO COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)[NH+](C)C)o2)cc1 ZINC000027664179 571319895 /nfs/dbraw/zinc/31/98/95/571319895.db2.gz BFFYUXOLKQCOJB-INIZCTEOSA-N 1 0 352.394 3.530 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+](C)CCc4ccccn4)[C@H]3C[C@@H]12 ZINC000003999761 571353733 /nfs/dbraw/zinc/35/37/33/571353733.db2.gz SFTDMSJFDWODLH-ZFVIQDPVSA-N 1 0 368.521 3.870 50 30 biogenic FHEARO O=C(C[n+]1ccc(-c2cccs2)nc1)c1ccc(Br)cc1 ZINC000006226341 219721392 /nfs/dbraw/zinc/72/13/92/219721392.db2.gz RWGHGGJZSVXPIM-UHFFFAOYSA-N 1 0 360.256 3.743 50 30 FHEARO C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)c1ccccc1 ZINC000012659708 220016224 /nfs/dbraw/zinc/01/62/24/220016224.db2.gz JQPOKDQOUBIXDQ-BDSNPLCGSA-N 1 0 369.505 3.864 50 30 FHEARO CCC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000012632577 220015293 /nfs/dbraw/zinc/01/52/93/220015293.db2.gz CRCCRNUOZFNDLE-UHFFFAOYSA-N 1 0 356.445 3.822 50 30 FHEARO C=CCc1cc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)c(O)c(OC)c1 ZINC000012883428 220039163 /nfs/dbraw/zinc/03/91/63/220039163.db2.gz VQEBDJFCHLEBSG-UHFFFAOYSA-N 1 0 371.477 3.821 50 30 FHEARO COc1ccc(-c2c[n+](CC(=O)c3ccc(Cl)cc3)c3n2CCC3)cc1 ZINC000017252560 220211385 /nfs/dbraw/zinc/21/13/85/220211385.db2.gz ZFPJOBFIWDJARA-UHFFFAOYSA-N 1 0 367.856 3.934 50 30 FHEARO CSc1nc(NCCC[NH+](C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820598 220298240 /nfs/dbraw/zinc/29/82/40/220298240.db2.gz JLBVRFFFKVEBOI-UHFFFAOYSA-N 1 0 361.902 3.754 50 30 FHEARO C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1ccccn1 ZINC000019807915 220299060 /nfs/dbraw/zinc/29/90/60/220299060.db2.gz HWPVZTDNLUJHLN-KOEQRZSOSA-N 1 0 354.457 3.803 50 30 FHEARO Cc1cccc(NC(=O)c2cccc(C[N@H+](C)C[C@H]3CCCO3)c2)c1C#N ZINC000067754659 221280016 /nfs/dbraw/zinc/28/00/16/221280016.db2.gz JFZHRNKVHXNEBL-LJQANCHMSA-N 1 0 363.461 3.730 50 30 FHEARO N#Cc1c(N)nc(-c2cccc(O)c2)cc1-c1cccn1-c1cc[nH+]cc1 ZINC000067955788 221308971 /nfs/dbraw/zinc/30/89/71/221308971.db2.gz DOJJAVJENRYDFX-UHFFFAOYSA-N 1 0 353.385 3.761 50 30 FHEARO N#Cc1c(N)nc(-c2ccc(C(F)(F)F)cc2F)cc1C1CC[NH2+]CC1 ZINC000071748520 221359840 /nfs/dbraw/zinc/35/98/40/221359840.db2.gz NXEZTZQSAWNLDG-UHFFFAOYSA-N 1 0 364.346 3.827 50 30 FHEARO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1C#N ZINC000097009628 132226940 /nfs/dbraw/zinc/22/69/40/132226940.db2.gz MAQHMWPMXNVXPZ-QGZVFWFLSA-N 1 0 369.852 3.505 50 30 FHEARO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)N2CCCC2)C1 ZINC000012387012 263371003 /nfs/dbraw/zinc/37/10/03/263371003.db2.gz NZOXXNFIJSQYHB-LJQANCHMSA-N 1 0 356.510 3.866 50 30 FHEARO C=CCNC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711388 518920627 /nfs/dbraw/zinc/92/06/27/518920627.db2.gz HNEMPCSVYQAONU-RTBURBONSA-N 1 0 370.443 3.873 50 30 FHEARO Cc1c(C(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000004680020 525668474 /nfs/dbraw/zinc/66/84/74/525668474.db2.gz GHSXJOXIECMNTE-UHFFFAOYSA-N 1 0 363.373 3.728 50 30 FHEARO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1 ZINC000257173782 526446256 /nfs/dbraw/zinc/44/62/56/526446256.db2.gz WYVOFARKNQWTCF-UHFFFAOYSA-N 1 0 353.441 3.576 50 30 FHEARO N#Cc1ccc(N2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)nc1 ZINC000072158130 570526352 /nfs/dbraw/zinc/52/63/52/570526352.db2.gz SAXDRMILIRVTEB-JOCHJYFZSA-N 1 0 360.505 3.734 50 30 FHEARO C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000329161161 570610317 /nfs/dbraw/zinc/61/03/17/570610317.db2.gz YTYFQGQDZLJDDC-MRXNPFEDSA-N 1 0 372.513 3.928 50 30 FHEARO Cc1ccccc1-c1cc[n+](CC(=O)c2ccc(Br)cc2)cn1 ZINC000005712068 570634047 /nfs/dbraw/zinc/63/40/47/570634047.db2.gz JXVCNZJEKIEGEY-UHFFFAOYSA-N 1 0 368.254 3.990 50 30 FHEARO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000330246141 570881014 /nfs/dbraw/zinc/88/10/14/570881014.db2.gz LBYJUTNNCSEAOB-MRXNPFEDSA-N 1 0 361.873 3.938 50 30 FHEARO CCc1cc(N2CC[C@@H](C[N@@H+](C)CC)C2)n2c3ccccc3nc2c1C#N ZINC000072302148 571055680 /nfs/dbraw/zinc/05/56/80/571055680.db2.gz NDCZZNLIWIWJPJ-INIZCTEOSA-N 1 0 361.493 3.700 50 30 FHEARO COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)c1 ZINC000040033610 571069417 /nfs/dbraw/zinc/06/94/17/571069417.db2.gz XFPBIZKCLMAWDX-QGZVFWFLSA-N 1 0 355.463 3.794 50 30 FHEARO C=CCC1(OC)CC[NH+](C2CCN(c3cc(CCC)nc(C)n3)CC2)CC1 ZINC000096162457 571072490 /nfs/dbraw/zinc/07/24/90/571072490.db2.gz PGYPEXUCNUZNIC-UHFFFAOYSA-N 1 0 372.557 3.763 50 30 FHEARO COc1ccc([C@@H](CNc2oc(-c3ccco3)nc2C#N)[NH+](C)C)cc1 ZINC000027793006 571321390 /nfs/dbraw/zinc/32/13/90/571321390.db2.gz SWHLTAXXDJJEHU-MRXNPFEDSA-N 1 0 352.394 3.530 50 30 FHEARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 ZINC000095388241 571329213 /nfs/dbraw/zinc/32/92/13/571329213.db2.gz JFEZVCSEFFXGQZ-QFIPXVFZSA-N 1 0 373.500 3.900 50 30 FHEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC000004074118 219539271 /nfs/dbraw/zinc/53/92/71/219539271.db2.gz FFEKTSIHIGFZST-XPRTXTSQSA-N 1 0 373.537 3.994 50 30 biogenic FHEARO C=C(C)C[N@@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014753195 220132816 /nfs/dbraw/zinc/13/28/16/220132816.db2.gz JWIRVPSIURLTED-SFHVURJKSA-N 1 0 372.557 3.530 50 30 FHEARO CC(C)N(C(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccccc1 ZINC000016955889 220199108 /nfs/dbraw/zinc/19/91/08/220199108.db2.gz GUSLWRJPRXSKGR-UHFFFAOYSA-N 1 0 360.481 3.830 50 30 FHEARO CCCCCCCC(=O)O[C@H](CN1CCCC1=O)C[NH+]1CCCCCC1 ZINC000017595984 220216825 /nfs/dbraw/zinc/21/68/25/220216825.db2.gz VWPBDXJKLFVDPP-IBGZPJMESA-N 1 0 366.546 3.757 50 30 FHEARO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 ZINC000065394226 221209529 /nfs/dbraw/zinc/20/95/29/221209529.db2.gz NWBRHRNDAMNFCQ-HNNXBMFYSA-N 1 0 360.417 3.992 50 30 FHEARO C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CC[NH+](CC)CC1 ZINC000005266734 132306128 /nfs/dbraw/zinc/30/61/28/132306128.db2.gz OQGFHIZWRVDRES-UHFFFAOYSA-N 1 0 361.493 3.575 50 30 FHEARO CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21 ZINC000100744898 222252319 /nfs/dbraw/zinc/25/23/19/222252319.db2.gz JQWISHUBSOEHDO-LSWJPFSZSA-N 1 0 370.513 3.564 50 30 FHEARO C=CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1 ZINC000036098487 518717371 /nfs/dbraw/zinc/71/73/71/518717371.db2.gz RRLVPXDPAQGJMX-LJQANCHMSA-N 1 0 369.461 3.753 50 30 FHEARO C=CCn1cc(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(C)n1 ZINC000065397660 534452938 /nfs/dbraw/zinc/45/29/38/534452938.db2.gz VDUZTMUKNJGAKS-UHFFFAOYSA-N 1 0 361.493 3.556 50 30 FHEARO Cc1cccc(-c2cc[n+](CC(=O)c3ccc(Br)cc3)cn2)c1 ZINC000005711116 524107933 /nfs/dbraw/zinc/10/79/33/524107933.db2.gz ATLIABGZGXYTDR-UHFFFAOYSA-N 1 0 368.254 3.990 50 30 FHEARO COc1ccccc1CC(=O)ONC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000004845105 524387964 /nfs/dbraw/zinc/38/79/64/524387964.db2.gz DAIJKQBWNWTGTJ-UHFFFAOYSA-N 1 0 367.232 3.603 50 30 FHEARO N#Cc1ccccc1CN(C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000089813918 526735921 /nfs/dbraw/zinc/73/59/21/526735921.db2.gz RCGRZRJSPIPOTP-HSZRJFAPSA-N 1 0 356.473 3.669 50 30 FHEARO [NH2+]=C(Cc1ccc(Cl)cc1)NOC(=O)COc1cccc2ccccc21 ZINC000006886113 526815054 /nfs/dbraw/zinc/81/50/54/526815054.db2.gz DSCPVAQSHMCTOD-UHFFFAOYSA-N 1 0 368.820 3.930 50 30 FHEARO COc1ccc2[nH+]c(C)cc(N3CCc4c(C#N)c(N)sc4C3)c2c1 ZINC000008937671 537047839 /nfs/dbraw/zinc/04/78/39/537047839.db2.gz OYZUIOOUFKJEAX-UHFFFAOYSA-N 1 0 350.447 3.630 50 30 FHEARO CC(C)c1nc(OCC[NH+]2CCCCC2)c(C#N)c2c1COC(C)(C)C2 ZINC000012324700 568180439 /nfs/dbraw/zinc/18/04/39/568180439.db2.gz ZAUZISMNWCKTAC-UHFFFAOYSA-N 1 0 357.498 3.793 50 30 FHEARO CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025230096 570992767 /nfs/dbraw/zinc/99/27/67/570992767.db2.gz GFKWWIUSSIQTQY-OAHLLOKOSA-N 1 0 364.898 3.729 50 30 FHEARO C=CCn1ncc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)cc3C)C2)c1C ZINC000071774419 571053010 /nfs/dbraw/zinc/05/30/10/571053010.db2.gz NHYLGPHUZDEQJX-GOSISDBHSA-N 1 0 367.493 3.789 50 30 FHEARO Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCC[NH+](C)C)o3)o2)c1 ZINC000008654715 571054238 /nfs/dbraw/zinc/05/42/38/571054238.db2.gz MISPGTWRDHJQST-UHFFFAOYSA-N 1 0 366.421 3.667 50 30 FHEARO CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1[N+](=O)Cc1cccnc1 ZINC000001436811 571098325 /nfs/dbraw/zinc/09/83/25/571098325.db2.gz LIDXYOMKQNJGAM-JHDSZEHQSA-N 1 0 357.504 3.649 50 30 FHEARO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000012305433 571117574 /nfs/dbraw/zinc/11/75/74/571117574.db2.gz VDUPYMWVHGAJIW-LJQANCHMSA-N 1 0 360.461 3.999 50 30 FHEARO COc1ccc(C(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000012879394 571137477 /nfs/dbraw/zinc/13/74/77/571137477.db2.gz WQYAVJCTHZCNJQ-UHFFFAOYSA-N 1 0 364.445 3.541 50 30 FHEARO CN1CC2(CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](c2ccccc2)C1=O ZINC000091551825 571319058 /nfs/dbraw/zinc/31/90/58/571319058.db2.gz JSBAHCRSTRQENI-JOCHJYFZSA-N 1 0 373.500 3.786 50 30 FHEARO COc1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)[NH+](C)C)cc1 ZINC000027793001 571321386 /nfs/dbraw/zinc/32/13/86/571321386.db2.gz UVDVFRUCUOPZIZ-MRXNPFEDSA-N 1 0 368.462 3.998 50 30 FHEARO C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@@H]4[C@H]12)c1ccccc1 ZINC000012885487 571322842 /nfs/dbraw/zinc/32/28/42/571322842.db2.gz UARIRGJWHKWMHN-OUQIQMHSSA-N 1 0 369.505 3.863 50 30 FHEARO N#Cc1ccccc1-c1ccc(CN2CC[NH+](C3CCSCC3)CC2)o1 ZINC000216077877 571341523 /nfs/dbraw/zinc/34/15/23/571341523.db2.gz MNDAFVOYDZHROD-UHFFFAOYSA-N 1 0 367.518 3.831 50 30 FHEARO Cc1ccc(N=NC(C)[C@]2(C)N(O)C(C)(C)C(c3ccco3)[N+]2=O)cc1 ZINC000005091075 219649413 /nfs/dbraw/zinc/64/94/13/219649413.db2.gz KKLBOCLKUIMOKW-QIYXJHPLSA-N 1 0 356.426 3.575 50 30 FHEARO C[C@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000013686094 220085954 /nfs/dbraw/zinc/08/59/54/220085954.db2.gz FAUWWTDVZLACIY-LPHOPBHVSA-N 1 0 361.555 3.657 50 30 FHEARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1cccc(Cl)c1 ZINC000013769726 220093126 /nfs/dbraw/zinc/09/31/26/220093126.db2.gz BGOVSABFECUAGH-UHFFFAOYSA-O 1 0 352.845 3.681 50 30 FHEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@@H+](C)CCCC)C2 ZINC000014543201 220126373 /nfs/dbraw/zinc/12/63/73/220126373.db2.gz FPSHIHNQQGRZKH-SFHVURJKSA-N 1 0 372.557 3.675 50 30 FHEARO CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000017206004 220208884 /nfs/dbraw/zinc/20/88/84/220208884.db2.gz HEXHXAKNHAEIKN-UHFFFAOYSA-O 1 0 364.444 3.729 50 30 FHEARO C=CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CC[NH+]2CCCC2)nc1 ZINC000055342508 221066927 /nfs/dbraw/zinc/06/69/27/221066927.db2.gz RMLWTAMWAPLRCK-UHFFFAOYSA-N 1 0 367.468 3.687 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@@H](C)C(=O)C[C@@H]4C)[C@H]3C[C@@H]12 ZINC000061991160 221138188 /nfs/dbraw/zinc/13/81/88/221138188.db2.gz MIVSQBNBIGTKAZ-QLMDLOKJSA-N 1 0 359.510 3.600 50 30 FHEARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1ccc(C#CC(C)(C)O)cc1 ZINC000065505587 221227839 /nfs/dbraw/zinc/22/78/39/221227839.db2.gz YXLRZWWRCJENKM-UHFFFAOYSA-N 1 0 358.445 3.638 50 30 FHEARO Cc1nn(C)cc1-c1cc(-c2ccc([C@@H](C)[NH+](C)C)cc2)c(C#N)c(N)n1 ZINC000071715201 221354824 /nfs/dbraw/zinc/35/48/24/221354824.db2.gz BSXQIXHWNRKMJN-CQSZACIVSA-N 1 0 360.465 3.534 50 30 FHEARO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000009117721 263359411 /nfs/dbraw/zinc/35/94/11/263359411.db2.gz VMVSTDSOEITFFC-MRXNPFEDSA-N 1 0 351.450 3.658 50 30 FHEARO C=C(C)CNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012387443 263370863 /nfs/dbraw/zinc/37/08/63/263370863.db2.gz FOJRBOIRPNNSEG-UHFFFAOYSA-N 1 0 372.509 3.787 50 30 FHEARO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000022015885 263385313 /nfs/dbraw/zinc/38/53/13/263385313.db2.gz JPPFAXYFXOHVJM-NRFANRHFSA-N 1 0 366.509 3.946 50 30 FHEARO COc1cc(CNc2ccc(OCC[NH+]3CCCC3)c(C)c2)ccc1C#N ZINC000328598372 533912362 /nfs/dbraw/zinc/91/23/62/533912362.db2.gz LZPVOIZFSRKWSQ-UHFFFAOYSA-N 1 0 365.477 3.962 50 30 FHEARO C=C(C)COc1cccc(C[N@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000055107868 518619529 /nfs/dbraw/zinc/61/95/29/518619529.db2.gz SSAWOGYLHKUBDG-LJQANCHMSA-N 1 0 356.510 3.864 50 30 FHEARO C=CCN1CC2(CCC1=O)CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2 ZINC000091439779 518858634 /nfs/dbraw/zinc/85/86/34/518858634.db2.gz HHVHBMTXNBWIAH-UHFFFAOYSA-N 1 0 372.484 3.679 50 30 FHEARO C=CCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc1 ZINC000034668112 518934586 /nfs/dbraw/zinc/93/45/86/518934586.db2.gz RXWGQIIBUBSRLQ-UHFFFAOYSA-N 1 0 363.505 3.541 50 30 FHEARO COc1cccc(NC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000225627316 526208459 /nfs/dbraw/zinc/20/84/59/526208459.db2.gz GAHXKMRIEPOBRS-UHFFFAOYSA-N 1 0 357.498 3.672 50 30 FHEARO OCCC#Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1 ZINC000015074878 527530296 /nfs/dbraw/zinc/53/02/96/527530296.db2.gz DMEJVUASLYUXDI-HXUWFJFHSA-N 1 0 370.443 3.775 50 30 FHEARO N#Cc1cccc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072144697 570525873 /nfs/dbraw/zinc/52/58/73/570525873.db2.gz LRCIORZBLBQKJE-DNVJHFABSA-N 1 0 361.464 3.760 50 30 FHEARO Cc1c(-c2ccccc2)n(CC(=O)c2cccc([N+](=O)[O-])c2)c2cccc[n+]12 ZINC000012436439 570745135 /nfs/dbraw/zinc/74/51/35/570745135.db2.gz WRUDJSLUEQSFQF-UHFFFAOYSA-N 1 0 372.404 3.993 50 30 FHEARO COc1cccc(C(=O)C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)c1 ZINC000013769628 570790221 /nfs/dbraw/zinc/79/02/21/570790221.db2.gz KHQPNAJWOPEPJI-UHFFFAOYSA-N 1 0 367.856 3.934 50 30 FHEARO O=C(C=CNc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)OCO2 ZINC000044842465 570901269 /nfs/dbraw/zinc/90/12/69/570901269.db2.gz IADNIDYZHVEBKD-CMDGGOBGSA-N 1 0 350.418 3.820 50 30 FHEARO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(C#CC(C)(C)O)s1 ZINC000055168942 571058058 /nfs/dbraw/zinc/05/80/58/571058058.db2.gz WQUZANRATFBZPD-INIZCTEOSA-N 1 0 363.548 3.705 50 30 FHEARO COc1ccc(C[NH2+]CC2(c3ccccc3C)CCOCC2)cc1C#N ZINC000237370802 571106080 /nfs/dbraw/zinc/10/60/80/571106080.db2.gz JLHJPSBDKTXNGG-UHFFFAOYSA-N 1 0 350.462 3.713 50 30 FHEARO C=CCCC(=O)N(CC)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012580385 571118413 /nfs/dbraw/zinc/11/84/13/571118413.db2.gz YWSOQDSLDSDBBK-FQEVSTJZSA-N 1 0 358.526 3.764 50 30 FHEARO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139707 571123096 /nfs/dbraw/zinc/12/30/96/571123096.db2.gz FMACUKSQBCYIHJ-UHFFFAOYSA-N 1 0 358.445 3.858 50 30 FHEARO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(OCC(F)F)n3)CC2)cc1 ZINC000183499735 571169605 /nfs/dbraw/zinc/16/96/05/571169605.db2.gz NUFOJGGCUXEWNX-UHFFFAOYSA-N 1 0 372.419 3.674 50 30 FHEARO Cc1c(-c2ccccc2)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc[n+]12 ZINC000001824449 571197439 /nfs/dbraw/zinc/19/74/39/571197439.db2.gz WQRLBWSOQUFXSF-UHFFFAOYSA-N 1 0 372.404 3.993 50 30 FHEARO O=C(C[n+]1cccc2ccccc21)c1cccc(I)c1 ZINC000004740712 571230128 /nfs/dbraw/zinc/23/01/28/571230128.db2.gz FPCBVGUUUBYKNI-UHFFFAOYSA-N 1 0 374.201 3.615 50 30 FHEARO Cc1c(C[N@@H+]2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cc(C#N)n1C ZINC000072479763 571319145 /nfs/dbraw/zinc/31/91/45/571319145.db2.gz FHLBLBQSFOVSSN-JOCHJYFZSA-N 1 0 350.510 3.994 50 30 FHEARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 ZINC000426381448 571322025 /nfs/dbraw/zinc/32/20/25/571322025.db2.gz MIPORLOIPGNCQJ-INIZCTEOSA-N 1 0 365.452 3.826 50 30 FHEARO N#Cc1cccnc1-c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426396354 571322043 /nfs/dbraw/zinc/32/20/43/571322043.db2.gz FKAFQXXISPBKBO-KRWDZBQOSA-N 1 0 374.488 3.615 50 30 FHEARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cccc(C#N)c3)cc1)C2 ZINC000426518278 571322157 /nfs/dbraw/zinc/32/21/57/571322157.db2.gz ICGHPDLONUQNKA-QHCPKHFHSA-N 1 0 359.473 3.783 50 30 FHEARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000095385894 571329166 /nfs/dbraw/zinc/32/91/66/571329166.db2.gz WINZOMSADWIXSL-OAQYLSRUSA-N 1 0 359.473 3.539 50 30 FHEARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccccc1C#N)CC2 ZINC000095503696 571331173 /nfs/dbraw/zinc/33/11/73/571331173.db2.gz QQCDKRIVRZQZGH-FQEVSTJZSA-N 1 0 359.473 3.652 50 30 FHEARO C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)c1ccccc1 ZINC000012659710 220016588 /nfs/dbraw/zinc/01/65/88/220016588.db2.gz JQPOKDQOUBIXDQ-SAIJPIEJSA-N 1 0 369.505 3.864 50 30 FHEARO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)cc1 ZINC000065287803 221196270 /nfs/dbraw/zinc/19/62/70/221196270.db2.gz SASNVZIZIVSPEY-NRFANRHFSA-N 1 0 357.461 3.578 50 30 FHEARO OCC#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000065460625 221222121 /nfs/dbraw/zinc/22/21/21/221222121.db2.gz DEBJJXQOLNYWFI-MRXNPFEDSA-N 1 0 352.459 3.613 50 30 FHEARO COC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000067726369 221277592 /nfs/dbraw/zinc/27/75/92/221277592.db2.gz LNAVXNLHYHLXKT-GOSISDBHSA-N 1 0 369.490 3.873 50 30 FHEARO C#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000020453222 533343122 /nfs/dbraw/zinc/34/31/22/533343122.db2.gz RDDCKIJCZLIPGU-GOSISDBHSA-N 1 0 359.395 3.840 50 30 FHEARO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2F)C[C@@H](C)O1 ZINC000048749087 136123760 /nfs/dbraw/zinc/12/37/60/136123760.db2.gz JKZKDSWOOAQSDE-HZPDHXFCSA-N 1 0 353.441 3.601 50 30 FHEARO C#C[C@H]1C[NH+](C23CC4CC(CC(C4)C2)C3)C[C@H](C#C)N1Cc1ccccc1 ZINC000096835200 222132498 /nfs/dbraw/zinc/13/24/98/222132498.db2.gz RZPRZMVXVOSGBW-SAFIRIESSA-N 1 0 358.529 3.777 50 30 FHEARO C[C@H](NC(=O)C[n+]1cn(Cc2ccccc2)c2ccccc21)c1ccccc1 ZINC000002532611 524987046 /nfs/dbraw/zinc/98/70/46/524987046.db2.gz UFTPBBHPDJVSEG-IBGZPJMESA-O 1 0 370.476 3.855 50 30 FHEARO COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCC#N)cc1)[N@H+](C)CC2 ZINC000002500357 560187108 /nfs/dbraw/zinc/18/71/08/560187108.db2.gz AXPKCHVXKOSJDD-HXUWFJFHSA-N 1 0 366.461 3.768 50 30 biogenic,in-vitro FHEARO O=C(C[n+]1ccc(-c2cccs2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000002529448 570524187 /nfs/dbraw/zinc/52/41/87/570524187.db2.gz DZHQTMFTEOPMQV-UHFFFAOYSA-O 1 0 364.372 3.755 50 30 FHEARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C1 ZINC000005554294 570669400 /nfs/dbraw/zinc/66/94/00/570669400.db2.gz LSCGZJZKKAPTNP-KURKYZTESA-N 1 0 364.489 3.775 50 30 FHEARO Cc1ccc2c(c1)[nH]c1c(C#N)c(C)c(/C=[NH+]/Cc3ccccc3)c(=O)n21 ZINC000104524002 570860189 /nfs/dbraw/zinc/86/01/89/570860189.db2.gz NUTJBVZEIWHTOO-ZMOGYAJESA-N 1 0 354.413 3.888 50 30 FHEARO CCCCCCC[NH2+][C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000033353627 571064706 /nfs/dbraw/zinc/06/47/06/571064706.db2.gz WDDQLPGEGVIXLR-HNNXBMFYSA-N 1 0 367.287 3.641 50 30 FHEARO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1ccsc1 ZINC000040091460 571075570 /nfs/dbraw/zinc/07/55/70/571075570.db2.gz ZDTPSIOPEKKLDM-GOSISDBHSA-N 1 0 356.495 3.502 50 30 FHEARO C#CC[NH+]1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)CC1 ZINC000040158602 571088603 /nfs/dbraw/zinc/08/86/03/571088603.db2.gz ZPRFPVADUVQIPR-UHFFFAOYSA-N 1 0 373.909 3.671 50 30 FHEARO CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1[N+](=O)Cc1ccc(O)cc1 ZINC000004786007 571236199 /nfs/dbraw/zinc/23/61/99/571236199.db2.gz ZOZJZCZSQAPROD-OJSPLJLUSA-N 1 0 372.515 3.960 50 30 FHEARO CC1CCN(c2nc(SCC[NH+](C)C)c(C#N)c3c2CCCC3)CC1 ZINC000006759546 571245295 /nfs/dbraw/zinc/24/52/95/571245295.db2.gz NOJAVIRFYQYGCN-UHFFFAOYSA-N 1 0 358.555 3.722 50 30 FHEARO COc1ccccc1[C@H](CNc1oc(-c2cccs2)nc1C#N)[NH+](C)C ZINC000027562375 571317642 /nfs/dbraw/zinc/31/76/42/571317642.db2.gz XVWSLNNBOBRFFQ-HNNXBMFYSA-N 1 0 368.462 3.998 50 30 FHEARO C=CCCc1ccccc1NC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000585123587 571320694 /nfs/dbraw/zinc/32/06/94/571320694.db2.gz HGUBKPXYWCRKNI-UHFFFAOYSA-N 1 0 371.525 3.914 50 30 FHEARO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)o1 ZINC000216233068 571342225 /nfs/dbraw/zinc/34/22/25/571342225.db2.gz GNKXXRHSAGQYFF-UHFFFAOYSA-N 1 0 372.472 3.921 50 30 FHEARO Cc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000007975373 571357721 /nfs/dbraw/zinc/35/77/21/571357721.db2.gz XHTKBEUATFVGJI-UHFFFAOYSA-N 1 0 357.479 3.861 50 30 FHEARO O=C(C[n+]1ccc(-c2ccccc2F)nc1)c1ccc(Br)cc1 ZINC000005717637 219695701 /nfs/dbraw/zinc/69/57/01/219695701.db2.gz DXEMDHMBGOKZLF-UHFFFAOYSA-N 1 0 372.217 3.821 50 30 FHEARO N#Cc1ccc(NC(=O)CCC[NH+]2CCC(c3cccc(O)c3)CC2)cc1 ZINC000299762209 223084662 /nfs/dbraw/zinc/08/46/62/223084662.db2.gz MBCMKQJMRPVQLN-UHFFFAOYSA-N 1 0 363.461 3.862 50 30 FHEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)Cc4ccccc4)[C@H]3[C@@H]3O[C@]312 ZINC000012881370 220038681 /nfs/dbraw/zinc/03/86/81/220038681.db2.gz GUEMLDIJFWCIGQ-ADPNAPNMSA-N 1 0 369.505 3.644 50 30 FHEARO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccco1 ZINC000014094597 220106282 /nfs/dbraw/zinc/10/62/82/220106282.db2.gz IDKYJZXIRWGWBS-UHFFFAOYSA-N 1 0 357.479 3.942 50 30 FHEARO Cc1ccc(-c2c[n+](CC(=O)Nc3cccc(C)c3C)c3n2CCC3)cc1 ZINC000017251842 220211186 /nfs/dbraw/zinc/21/11/86/220211186.db2.gz VINVPVLHEUMXDP-UHFFFAOYSA-O 1 0 360.481 3.953 50 30 FHEARO Cc1ccc(CN2CCN(/[NH+]=C/c3ccc(N(C)C)cc3)CC2)c(C)c1 ZINC000019791085 220296002 /nfs/dbraw/zinc/29/60/02/220296002.db2.gz ZTVGLYQXLJPIDF-XQNSMLJCSA-N 1 0 350.510 3.521 50 30 FHEARO C=CC[NH+](CC=C)CCOc1ccc(C)cc1I ZINC000020272373 220320751 /nfs/dbraw/zinc/32/07/51/220320751.db2.gz GBMOAVZJFPAARO-UHFFFAOYSA-N 1 0 357.235 3.652 50 30 FHEARO OCC#Cc1csc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065398811 221211769 /nfs/dbraw/zinc/21/17/69/221211769.db2.gz BIEWXULVHWHNMY-QFIPXVFZSA-N 1 0 365.498 3.922 50 30 FHEARO CC(C)[C@H]1CN(c2ccc(C#N)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071756975 221365358 /nfs/dbraw/zinc/36/53/58/221365358.db2.gz NMMJNXNSJJWUML-HXUWFJFHSA-N 1 0 352.457 3.829 50 30 FHEARO Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000071762836 221368939 /nfs/dbraw/zinc/36/89/39/221368939.db2.gz CFGJZLDBUSUWBM-CQSZACIVSA-N 1 0 360.465 3.534 50 30 FHEARO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2F)C[C@@H](C)O1 ZINC000048749114 136123667 /nfs/dbraw/zinc/12/36/67/136123667.db2.gz IZYLHWRHICBASN-HZPDHXFCSA-N 1 0 353.441 3.601 50 30 FHEARO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CCCC2)C1 ZINC000012387011 263370921 /nfs/dbraw/zinc/37/09/21/263370921.db2.gz NZOXXNFIJSQYHB-IBGZPJMESA-N 1 0 356.510 3.866 50 30 FHEARO CCCCCCCCCCCCOC(=O)C[n+]1cccc(C(=O)NC)c1 ZINC000100857796 520012459 /nfs/dbraw/zinc/01/24/59/520012459.db2.gz ZLVOWUAJMYRUTM-UHFFFAOYSA-O 1 0 363.522 3.798 50 30 FHEARO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000022801057 522674514 /nfs/dbraw/zinc/67/45/14/522674514.db2.gz VOFVHVVWELQYLY-HSZRJFAPSA-N 1 0 362.521 3.963 50 30 FHEARO O=C(C[n+]1ccccc1-c1ccccn1)c1ccc(Br)cc1 ZINC000038280945 527195722 /nfs/dbraw/zinc/19/57/22/527195722.db2.gz WKPDBJXKVVEVJR-UHFFFAOYSA-N 1 0 354.227 3.682 50 30 FHEARO COc1cccc([C@H]2C[N@H+](Cc3cccc(C#N)c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072143607 570525924 /nfs/dbraw/zinc/52/59/24/570525924.db2.gz MDJRYANARFVZMD-WXFUMESZSA-N 1 0 373.500 3.629 50 30 FHEARO COc1cc2c(cc1OC)[C@@H]1C/C(=N\OC(C)=O)[C@@H](CC(C)C)C[N@@H+]1CC2 ZINC000033741567 570580691 /nfs/dbraw/zinc/58/06/91/570580691.db2.gz HAPOKUSVNOKHRF-HREXAKDCSA-N 1 0 374.481 3.588 50 30 FHEARO CCc1nc(C#N)c(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+](C)C)o1 ZINC000032594254 570750615 /nfs/dbraw/zinc/75/06/15/570750615.db2.gz YWBDWUOXXMRSOS-CQSZACIVSA-N 1 0 352.360 3.842 50 30 FHEARO CCN(CCC#N)c1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(O)cc2)c(C)c1 ZINC000012691710 571049683 /nfs/dbraw/zinc/04/96/83/571049683.db2.gz ZFCFQLJCPKEUQI-HTAPYJJXSA-N 1 0 367.493 3.652 50 30 FHEARO Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCC[NH+](C)C)o2)o1 ZINC000032999863 571097125 /nfs/dbraw/zinc/09/71/25/571097125.db2.gz LAJMBWRQUYIQIT-UHFFFAOYSA-N 1 0 366.421 3.667 50 30 FHEARO CCN(CCC#N)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)c1 ZINC000007030627 571257358 /nfs/dbraw/zinc/25/73/58/571257358.db2.gz VEHYLLXQKHRWEB-IBGZPJMESA-N 1 0 373.464 3.581 50 30 FHEARO [NH2+]=C(NC[C@H]1CCCO1)SCc1cc(=O)oc2ccc3ccccc3c12 ZINC000007665458 571285492 /nfs/dbraw/zinc/28/54/92/571285492.db2.gz KMQBQLLDLGDGSE-OAHLLOKOSA-N 1 0 368.458 3.673 50 30 FHEARO COc1ccccc1[C@H](CNc1oc(-c2ccccc2)nc1C#N)[NH+](C)C ZINC000027562409 571317638 /nfs/dbraw/zinc/31/76/38/571317638.db2.gz FKJYRWYABBIAFX-SFHVURJKSA-N 1 0 362.433 3.937 50 30 FHEARO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000008746176 571320853 /nfs/dbraw/zinc/32/08/53/571320853.db2.gz BNXCVZQWAFLCJQ-UHFFFAOYSA-N 1 0 368.868 3.951 50 30 FHEARO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095378820 571329080 /nfs/dbraw/zinc/32/90/80/571329080.db2.gz XXVMJSFILQVQDK-YTFSRNRJSA-N 1 0 361.464 3.760 50 30 FHEARO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000581807452 940608697 /nfs/dbraw/zinc/60/86/97/940608697.db2.gz NGAZIOODZQZYHN-NRFANRHFSA-N 1 0 357.461 3.962 50 30 FHEARO CCC1c2ccc(C)n2CC[N+]1=CC(=O)c1ccc(Br)cc1 ZINC000001800542 219418623 /nfs/dbraw/zinc/41/86/23/219418623.db2.gz FJTJHYLUEYQAEN-UHFFFAOYSA-N 1 0 360.275 3.667 50 30 FHEARO CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CC[N+]3(C)CCOCC3)CC[C@H]21 ZINC000012659614 220016892 /nfs/dbraw/zinc/01/68/92/220016892.db2.gz JQWISHUBSOEHDO-NWSQWKLXSA-N 1 0 370.513 3.564 50 30 FHEARO COc1ccc([C@@H](CNC(=O)c2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000012901908 220041072 /nfs/dbraw/zinc/04/10/72/220041072.db2.gz RYOPOAQQGLAIHI-OAQYLSRUSA-N 1 0 363.461 3.524 50 30 FHEARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCC(C#N)CC2)cc1 ZINC000057993102 221096723 /nfs/dbraw/zinc/09/67/23/221096723.db2.gz NLQVPRJQLCSIHJ-KRWDZBQOSA-N 1 0 354.498 3.506 50 30 FHEARO OCC#Cc1csc(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)c1 ZINC000065398812 221212146 /nfs/dbraw/zinc/21/21/46/221212146.db2.gz BIEWXULVHWHNMY-JOCHJYFZSA-N 1 0 365.498 3.922 50 30 FHEARO C=CCn1cc(-c2c(-c3ccccc3)ncn2C[C@H]2CC[N@@H+](C)C2)c(C)n1 ZINC000065418562 221215452 /nfs/dbraw/zinc/21/54/52/221215452.db2.gz NGDRKECPSLXWFS-SFHVURJKSA-N 1 0 361.493 3.860 50 30 FHEARO C[NH+]1CCC(O)(Cn2cnc(-c3ccccc3)c2-c2cccc(C#N)c2)CC1 ZINC000065433643 221218694 /nfs/dbraw/zinc/21/86/94/221218694.db2.gz UWZKDPJFXMJLGW-UHFFFAOYSA-N 1 0 372.472 3.545 50 30 FHEARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000068341053 221315496 /nfs/dbraw/zinc/31/54/96/221315496.db2.gz VCRQROCDSSPVSZ-KRWDZBQOSA-N 1 0 365.502 3.876 50 30 FHEARO C[NH+](C)CCCOc1ccccc1-c1cc(C2(C)CC2)nc(N)c1C#N ZINC000071524660 221350823 /nfs/dbraw/zinc/35/08/23/221350823.db2.gz XMVPQMGTNSHSFN-UHFFFAOYSA-N 1 0 350.466 3.584 50 30 FHEARO C#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000020453224 533343475 /nfs/dbraw/zinc/34/34/75/533343475.db2.gz RDDCKIJCZLIPGU-SFHVURJKSA-N 1 0 359.395 3.840 50 30 FHEARO N#Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000095081397 132206515 /nfs/dbraw/zinc/20/65/15/132206515.db2.gz LWUHQIUUHFODQF-UHFFFAOYSA-N 1 0 356.267 3.643 50 30 FHEARO C=C(C)C[NH+]1CCN(c2cc(C)nc3c(C)c(-c4ccccc4)nn32)CC1 ZINC000040216609 132301149 /nfs/dbraw/zinc/30/11/49/132301149.db2.gz LUNWKOVPNAIRMD-UHFFFAOYSA-N 1 0 361.493 3.711 50 30 FHEARO C=CCOc1ccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1Cl ZINC000083881701 132377697 /nfs/dbraw/zinc/37/76/97/132377697.db2.gz ZEEAZWOHLNNAAZ-UHFFFAOYSA-N 1 0 372.900 3.664 50 30 FHEARO CCCCN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccccc1OC ZINC000004785520 520567158 /nfs/dbraw/zinc/56/71/58/520567158.db2.gz MZLOZSCQBDNRFY-CCRNYGKSSA-N 1 0 352.525 3.863 50 30 FHEARO CCC[N@H+](CC#Cc1ccccc1)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000055369669 521523425 /nfs/dbraw/zinc/52/34/25/521523425.db2.gz LCWRYHDBVKQVIM-UHFFFAOYSA-N 1 0 373.500 3.748 50 30 FHEARO CCc1ccc(OCC(=O)ONC(=[NH2+])Cc2cccc3ccccc32)cc1 ZINC000004803109 524005282 /nfs/dbraw/zinc/00/52/82/524005282.db2.gz DLOPWQRUZHZBTE-UHFFFAOYSA-N 1 0 362.429 3.839 50 30 FHEARO N#Cc1ccccc1CN(C1CC1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000089813917 526735541 /nfs/dbraw/zinc/73/55/41/526735541.db2.gz RCGRZRJSPIPOTP-QHCPKHFHSA-N 1 0 356.473 3.669 50 30 FHEARO [NH2+]=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004978199 526814365 /nfs/dbraw/zinc/81/43/65/526814365.db2.gz HYDKYAVDVXQMKF-UHFFFAOYSA-N 1 0 368.176 3.573 50 30 FHEARO O=C(C[n+]1ccc(-c2ccc3ccccc3c2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000005740286 527194528 /nfs/dbraw/zinc/19/45/28/527194528.db2.gz JTIPEYCZBITJJI-UHFFFAOYSA-N 1 0 370.388 3.980 50 30 FHEARO CCc1cc(-c2cc(-c3cc(C[NH+](C)C)cs3)nc(N)c2C#N)on1 ZINC000071755499 570511414 /nfs/dbraw/zinc/51/14/14/570511414.db2.gz GKNSSGHHEYOBLP-UHFFFAOYSA-N 1 0 353.451 3.543 50 30 FHEARO C=Cc1cccc(-c2c(C#N)c(N)nc3c2CN(Cc2cccnc2)CC3)c1 ZINC000072167022 570526365 /nfs/dbraw/zinc/52/63/65/570526365.db2.gz IEWNQJNLAGELAT-UHFFFAOYSA-N 1 0 367.456 3.799 50 30 FHEARO Cc1ccc(C(=[NH2+])NOC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000006797712 570654455 /nfs/dbraw/zinc/65/44/55/570654455.db2.gz LAPHCWLBCDZGTO-NSHDSACASA-N 1 0 367.232 3.933 50 30 FHEARO CC(C)(C)c1cc[n+](CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000010277521 571124744 /nfs/dbraw/zinc/12/47/44/571124744.db2.gz RMQSSNJLVTUNHF-UHFFFAOYSA-N 1 0 351.514 3.753 50 30 FHEARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1coc(C2CCCC2)n1 ZINC000328777839 571162706 /nfs/dbraw/zinc/16/27/06/571162706.db2.gz SZLMLHUADAJQLV-UHFFFAOYSA-N 1 0 354.454 3.696 50 30 FHEARO O=C(C[n+]1ccc(-c2cccs2)nc1)Nc1cccc(C(F)(F)F)c1 ZINC000328579857 571192508 /nfs/dbraw/zinc/19/25/08/571192508.db2.gz DZHQTMFTEOPMQV-CCEZHUSRSA-O 1 0 364.372 3.817 50 30 FHEARO CO[C@]12CC[N@H+](Cc3cccc(C#N)c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426425490 571322076 /nfs/dbraw/zinc/32/20/76/571322076.db2.gz SLBLVKDYCGHCOR-JAXLGGSGSA-N 1 0 363.461 3.544 50 30 FHEARO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095386812 571329175 /nfs/dbraw/zinc/32/91/75/571329175.db2.gz ILOWWZVAULOYDL-GOSISDBHSA-N 1 0 363.490 3.639 50 30 FHEARO COc1c2c(cc3c1[C@@H](C/C(CCC=C(C)C)=N/O)[N@H+](C)CC3)OCO2 ZINC000004030013 571354230 /nfs/dbraw/zinc/35/42/30/571354230.db2.gz ZWCOOCOWDXKMES-GXPOEHQZSA-N 1 0 360.454 3.920 50 30 biogenic FHEARO C#C[C@H](CCC)N[C@H](C[NH3+])c1ccc(Br)c(Br)c1 ZINC000229943645 940907778 /nfs/dbraw/zinc/90/77/78/940907778.db2.gz ULGVQUOKDZRVFP-BXUZGUMPSA-N 1 0 374.120 3.603 50 30 FHEARO Cc1ccc(N=NC(C)[C@@]2(C)N(O)C(C)(C)C(c3ccco3)[N+]2=O)cc1 ZINC000013154354 220061313 /nfs/dbraw/zinc/06/13/13/220061313.db2.gz KKLBOCLKUIMOKW-HZQOKBKYSA-N 1 0 356.426 3.575 50 30 FHEARO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000048308617 221006403 /nfs/dbraw/zinc/00/64/03/221006403.db2.gz HAVNLCXNIXFXRF-AWEZNQCLSA-N 1 0 351.855 3.852 50 30 FHEARO O=C(Nc1nnc(CC[NH+]2CCCCC2)s1)c1cccc(Cl)c1 ZINC000049713932 221027278 /nfs/dbraw/zinc/02/72/78/221027278.db2.gz IESHYRDTZCVLQB-UHFFFAOYSA-N 1 0 350.875 3.856 50 30 FHEARO CC[NH+](CC)Cc1ccccc1NCC(=O)NC1(C#N)CCCCCC1 ZINC000055869114 221075641 /nfs/dbraw/zinc/07/56/41/221075641.db2.gz PTJFMQPNTGDIMP-UHFFFAOYSA-N 1 0 356.514 3.673 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4C[C@@H](C)C(=O)C[C@H]4C)[C@H]3C[C@@H]12 ZINC000061991158 221138037 /nfs/dbraw/zinc/13/80/37/221138037.db2.gz MIVSQBNBIGTKAZ-QNHDLEJQSA-N 1 0 359.510 3.600 50 30 FHEARO Cc1cnccc1C[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)nc2)cc1 ZINC000065417820 221216082 /nfs/dbraw/zinc/21/60/82/221216082.db2.gz MCMIAQABJDSLSG-UHFFFAOYSA-N 1 0 371.444 3.541 50 30 FHEARO N#Cc1c(N)nc2c(c1-c1cccc(-c3ccccn3)c1)[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000071752527 221363044 /nfs/dbraw/zinc/36/30/44/221363044.db2.gz JNKYUBNDTTYKJJ-MAUKXSAKSA-N 1 0 353.429 3.614 50 30 FHEARO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2F)C[C@H](C)O1 ZINC000048749081 136123739 /nfs/dbraw/zinc/12/37/39/136123739.db2.gz JKZKDSWOOAQSDE-IYBDPMFKSA-N 1 0 353.441 3.601 50 30 FHEARO N#CC1(c2ccccc2)CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000097574900 222194556 /nfs/dbraw/zinc/19/45/56/222194556.db2.gz JNVVKWPFDPGUSU-UHFFFAOYSA-N 1 0 373.500 3.980 50 30 FHEARO C=CCSc1nnc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)n1C ZINC000020271236 519090248 /nfs/dbraw/zinc/09/02/48/519090248.db2.gz LBUPVWHKPAHXPX-JGZYNSJSSA-N 1 0 354.523 3.986 50 30 FHEARO CCN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c(C)c1 ZINC000089969184 520980210 /nfs/dbraw/zinc/98/02/10/520980210.db2.gz RLPNWGWHHVPNLX-FQEVSTJZSA-N 1 0 354.498 3.721 50 30 FHEARO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000022801051 522674445 /nfs/dbraw/zinc/67/44/45/522674445.db2.gz VOFVHVVWELQYLY-QHCPKHFHSA-N 1 0 362.521 3.963 50 30 FHEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004803594 526814344 /nfs/dbraw/zinc/81/43/44/526814344.db2.gz FHGIXPCYUXHVBQ-UHFFFAOYSA-N 1 0 368.176 3.573 50 30 FHEARO O=C(C[n+]1cccc(-c2ccccc2)c1)Nc1ccc(OC(F)F)cc1 ZINC000007760907 527195838 /nfs/dbraw/zinc/19/58/38/527195838.db2.gz JHGVNXRNFPQOBT-UHFFFAOYSA-O 1 0 355.364 3.881 50 30 FHEARO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000072165227 570526373 /nfs/dbraw/zinc/52/63/73/570526373.db2.gz IJJXUJKZPAAZPP-LJQANCHMSA-N 1 0 366.440 3.826 50 30 FHEARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072156118 570526504 /nfs/dbraw/zinc/52/65/04/570526504.db2.gz RORJCUQIMACIIZ-QPTUXGOLSA-N 1 0 373.500 3.629 50 30 FHEARO Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C[N@H+](C)CC[C@@]3(C)C2)cc1 ZINC000004368174 570587461 /nfs/dbraw/zinc/58/74/61/570587461.db2.gz ORRZVXBXIVSUAD-NEWSRXKRSA-N 1 0 351.512 3.601 50 30 FHEARO CC(C)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000032836210 570819084 /nfs/dbraw/zinc/81/90/84/570819084.db2.gz IMPBUXDREHALEK-OAQYLSRUSA-N 1 0 352.434 3.695 50 30 FHEARO CCc1nc(-c2cc(-c3cc(C[NH+](C)C)cs3)nc(N)c2C#N)c(C)[nH]1 ZINC000071754539 571080189 /nfs/dbraw/zinc/08/01/89/571080189.db2.gz VYLVMUBUNKSRGB-UHFFFAOYSA-N 1 0 366.494 3.587 50 30 FHEARO C[NH+](C)CCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000009060879 571094314 /nfs/dbraw/zinc/09/43/14/571094314.db2.gz NOFLZZBFPATPCJ-UHFFFAOYSA-N 1 0 365.481 3.522 50 30 FHEARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000007106019 571260892 /nfs/dbraw/zinc/26/08/92/571260892.db2.gz JLPFORPXFFYLSV-UHFFFAOYSA-N 1 0 368.868 3.606 50 30 FHEARO CCCCN1C(=S)SC(C)(C)[C@H]1[N+](=O)Cc1ccc(N(C)C)cc1 ZINC000002270126 571294178 /nfs/dbraw/zinc/29/41/78/571294178.db2.gz PEBAXCQHJCPYGL-RDPIHGLISA-N 1 0 365.568 3.920 50 30 FHEARO C[NH+](C)CCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N ZINC000002405544 571321463 /nfs/dbraw/zinc/32/14/63/571321463.db2.gz DSWJVWIYKYYRPS-UHFFFAOYSA-N 1 0 362.433 3.766 50 30 FHEARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccc(F)c(C#N)c3)cc2)C1 ZINC000426381449 571322072 /nfs/dbraw/zinc/32/20/72/571322072.db2.gz MIPORLOIPGNCQJ-MRXNPFEDSA-N 1 0 365.452 3.826 50 30 FHEARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1 ZINC000095388240 571329197 /nfs/dbraw/zinc/32/91/97/571329197.db2.gz JFEZVCSEFFXGQZ-JOCHJYFZSA-N 1 0 373.500 3.900 50 30 FHEARO C[N@@H+](Cc1ccccc1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 ZINC000004073461 571354748 /nfs/dbraw/zinc/35/47/48/571354748.db2.gz QLVBIAQQOPHQOC-MTMVXOAJSA-N 1 0 369.505 3.645 50 30 biogenic FHEARO N#Cc1cc2c(nc1NCC1CC[NH+](Cc3cccs3)CC1)CCC2 ZINC000329412045 938397154 /nfs/dbraw/zinc/39/71/54/938397154.db2.gz DJYRZWLDFIAJDD-UHFFFAOYSA-N 1 0 352.507 3.828 50 30 FHEARO Cc1cnc(C2CCOCC2)n1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000257186285 942598332 /nfs/dbraw/zinc/59/83/32/942598332.db2.gz KGTPAMIMEITEEG-NRFANRHFSA-N 1 0 364.493 3.794 50 30 FHEARO CCC1([C@](O)(C#CC[N@H+](CCO)C(C)(C)C)c2ccccc2)CCCC1 ZINC000002287399 219435703 /nfs/dbraw/zinc/43/57/03/219435703.db2.gz CJJYLXAXGQLGEN-QHCPKHFHSA-N 1 0 357.538 3.941 50 30 FHEARO C[C@H](C(=O)c1ccc(Br)cc1)[n+]1cccc(Br)c1 ZINC000003131049 219487953 /nfs/dbraw/zinc/48/79/53/219487953.db2.gz SEMBLYUEGMCKHP-SNVBAGLBSA-N 1 0 370.064 3.943 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)CCc4ccccn4)[C@H]3C[C@H]12 ZINC000012661646 220016596 /nfs/dbraw/zinc/01/65/96/220016596.db2.gz SFTDMSJFDWODLH-AIDNLNPPSA-N 1 0 368.521 3.870 50 30 FHEARO O=C(Cn1c(-c2ccccc2)c[n+]2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000013382178 220065537 /nfs/dbraw/zinc/06/55/37/220065537.db2.gz QUWPFRJENQJLLY-UHFFFAOYSA-N 1 0 358.377 3.685 50 30 FHEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2 ZINC000014746003 220132220 /nfs/dbraw/zinc/13/22/20/220132220.db2.gz HUQPBLZWDDGPHL-SFHVURJKSA-N 1 0 372.557 3.578 50 30 FHEARO [NH2+]=C(Nc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cccc2ccccc21 ZINC000020081957 220313521 /nfs/dbraw/zinc/31/35/21/220313521.db2.gz ZHZXDZPSLUQWFN-UHFFFAOYSA-N 1 0 355.401 3.648 50 30 FHEARO C=CCOc1ccccc1C[N@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000055154647 221059769 /nfs/dbraw/zinc/05/97/69/221059769.db2.gz WGTNWEHVQSVVHI-UHFFFAOYSA-N 1 0 357.450 3.996 50 30 FHEARO N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062580331 221141150 /nfs/dbraw/zinc/14/11/50/221141150.db2.gz ZKHRBEMKXVXXDD-IBGZPJMESA-N 1 0 373.378 3.951 50 30 FHEARO N#Cc1c(N)nc2c(c1-c1ccc(O)cc1)C[N@H+](CCc1ccccc1)CC2 ZINC000071746776 221359732 /nfs/dbraw/zinc/35/97/32/221359732.db2.gz QBUXOPBUMDRBIE-UHFFFAOYSA-N 1 0 370.456 3.509 50 30 FHEARO CCN(CC)c1ccc(/C=[NH+]/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019771375 263376125 /nfs/dbraw/zinc/37/61/25/263376125.db2.gz IMZIFRKFRVCUCI-PTGBLXJZSA-N 1 0 350.510 3.685 50 30 FHEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+](C)CCc4ccccn4)[C@H]3C[C@@H]12 ZINC000035361868 263398400 /nfs/dbraw/zinc/39/84/00/263398400.db2.gz SFTDMSJFDWODLH-DLBZZEGUSA-N 1 0 368.521 3.870 50 30 FHEARO C=CCc1ccccc1OCc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000028233704 519146470 /nfs/dbraw/zinc/14/64/70/519146470.db2.gz UXJUVPUECJJGDK-SFHVURJKSA-N 1 0 366.461 3.507 50 30 FHEARO CCCCN1C(=S)SC(C)(C)[C@H]1[N+](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000001833549 520567505 /nfs/dbraw/zinc/56/75/05/520567505.db2.gz YXDCAEZGBASRPM-JVVDOCDTSA-N 1 0 367.496 3.763 50 30 FHEARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3C#N)o1)C2 ZINC000091602895 521700885 /nfs/dbraw/zinc/70/08/85/521700885.db2.gz UZOZVDKIIUJGEQ-ZWKOTPCHSA-N 1 0 363.461 3.651 50 30 FHEARO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000022926736 522672871 /nfs/dbraw/zinc/67/28/71/522672871.db2.gz CRBMORRHRYBCDS-HXUWFJFHSA-N 1 0 352.482 3.556 50 30 FHEARO COc1ccc(Cl)cc1NC(=O)NCC#CC[N@H+](C)Cc1ccccc1 ZINC000085470652 524235464 /nfs/dbraw/zinc/23/54/64/524235464.db2.gz JYUQTCRMYGKXIW-UHFFFAOYSA-N 1 0 371.868 3.606 50 30 FHEARO N#CCCn1cc(C[NH2+]Cc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000002845837 526468212 /nfs/dbraw/zinc/46/82/12/526468212.db2.gz QFBYDFNOLNTEEK-UHFFFAOYSA-N 1 0 361.405 3.662 50 30 FHEARO O=C(C[n+]1ccc(-c2cccc(Br)c2)nc1)c1cccs1 ZINC000005713895 527194429 /nfs/dbraw/zinc/19/44/29/527194429.db2.gz MDDPOCSVOOSIHV-UHFFFAOYSA-N 1 0 360.256 3.743 50 30 FHEARO Cc1ncc(C(=O)N[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)c(C)n1 ZINC000329413308 570612972 /nfs/dbraw/zinc/61/29/72/570612972.db2.gz DSKMAEVJWAWXAR-RTBURBONSA-N 1 0 374.435 3.900 50 30 FHEARO O=C(C[n+]1ccc(-c2cccc3ccccc32)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000006342587 570645896 /nfs/dbraw/zinc/64/58/96/570645896.db2.gz BABNYBVVDFWHQV-UHFFFAOYSA-N 1 0 370.388 3.980 50 30 FHEARO C[NH+](C)CCCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000005699691 570816040 /nfs/dbraw/zinc/81/60/40/570816040.db2.gz ODARKJMXFBSZFF-UHFFFAOYSA-N 1 0 364.493 3.835 50 30 FHEARO Cc1ccc(-c2c[n+]3ccccc3n2CC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001806251 571194752 /nfs/dbraw/zinc/19/47/52/571194752.db2.gz FLTBTKSGFZRRQN-UHFFFAOYSA-N 1 0 372.404 3.993 50 30 FHEARO C=CCN(CC=C)Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21 ZINC000169777117 571253426 /nfs/dbraw/zinc/25/34/26/571253426.db2.gz RXFANTOISMFUDH-UHFFFAOYSA-N 1 0 372.432 3.620 50 30 FHEARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cccc(C#N)c2)C3)cc1 ZINC000091526437 571319028 /nfs/dbraw/zinc/31/90/28/571319028.db2.gz OZZYSFDGYGYQFU-FCHUYYIVSA-N 1 0 361.489 3.663 50 30 FHEARO CO[C@]12CC[N@H+](Cc3ccccc3C#N)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426550069 571322214 /nfs/dbraw/zinc/32/22/14/571322214.db2.gz QTYOUSCDVCWUHK-JAXLGGSGSA-N 1 0 363.461 3.544 50 30 FHEARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095360224 571328935 /nfs/dbraw/zinc/32/89/35/571328935.db2.gz VFZZPEPLXGVQGF-RBZQAINGSA-N 1 0 373.500 3.629 50 30 FHEARO