smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)s1 ZINC000952979023 1011024852 /nfs/dbraw/zinc/02/48/52/1011024852.db2.gz SRCQSJBWZWPREN-UHFFFAOYSA-N 1 0 369.534 2.973 50 30 FFEARO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000031183528 204915267 /nfs/dbraw/zinc/91/52/67/204915267.db2.gz LWYBQGPNOROVKQ-AWEZNQCLSA-N 1 0 357.435 2.720 50 30 FFEARO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000040025412 205050471 /nfs/dbraw/zinc/05/04/71/205050471.db2.gz VNYPDXUYICXNLE-IBGZPJMESA-N 1 0 368.525 2.713 50 30 FFEARO N#Cc1cc2c(ccn(CC[N@@H+]3CCC[C@@H](c4ccccc4)C3)c2=O)nc1O ZINC000067675949 205381624 /nfs/dbraw/zinc/38/16/24/205381624.db2.gz FXWXQCPMWIWVRU-QGZVFWFLSA-N 1 0 374.444 2.853 50 30 FFEARO C[C@@H]1C[C@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)C[N@@H+]1C ZINC000005440225 206195059 /nfs/dbraw/zinc/19/50/59/206195059.db2.gz BZEJSCRBMDUORW-CKEIUWERSA-N 1 0 352.272 2.923 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000005799911 206198101 /nfs/dbraw/zinc/19/81/01/206198101.db2.gz DQIOMYMAAOJRRY-UYTDBDHRSA-N 1 0 356.447 2.731 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000019902896 206328196 /nfs/dbraw/zinc/32/81/96/206328196.db2.gz YVLGHJZAWABXNK-GOSISDBHSA-N 1 0 368.408 2.966 50 30 FFEARO C=CCC(=O)N(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012093025 506815439 /nfs/dbraw/zinc/81/54/39/506815439.db2.gz VDRLUXCZQHHVAH-GOSISDBHSA-N 1 0 356.510 2.917 50 30 FFEARO C=CCNC(=O)C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000016695464 507103315 /nfs/dbraw/zinc/10/33/15/507103315.db2.gz CBCJJCWHJSLCIM-HXUWFJFHSA-N 1 0 354.450 2.879 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000019582779 507182711 /nfs/dbraw/zinc/18/27/11/507182711.db2.gz MQSHNSQPXYWMOG-SFHVURJKSA-N 1 0 368.408 2.966 50 30 FFEARO C=CC[N@H+]1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 ZINC000072252455 507771860 /nfs/dbraw/zinc/77/18/60/507771860.db2.gz SFBUYTAJLCEIEI-UHFFFAOYSA-N 1 0 352.482 2.882 50 30 FFEARO CC(C)CN1CC2(CC1=O)CC[NH+](Cc1ccc(C#CCO)cc1)CC2 ZINC000091793077 508013705 /nfs/dbraw/zinc/01/37/05/508013705.db2.gz BIRNITXDENVYTA-UHFFFAOYSA-N 1 0 354.494 2.501 50 30 FFEARO N#Cc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@H]3CO)cc2)cc1 ZINC000426734156 514028151 /nfs/dbraw/zinc/02/81/51/514028151.db2.gz SKHDZIWCNAIJAR-NRFANRHFSA-N 1 0 363.461 2.802 50 30 FFEARO COc1cccc(N2C(=O)C[C@@H](SC(=[NH2+])Nc3ccccc3)C2=O)c1 ZINC000017730154 526140018 /nfs/dbraw/zinc/14/00/18/526140018.db2.gz CSAMBJRMQUYYSQ-OAHLLOKOSA-N 1 0 355.419 2.707 50 30 FFEARO OCC#Cc1csc(-c2cn([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000091412042 527521461 /nfs/dbraw/zinc/52/14/61/527521461.db2.gz NBOSNRRZAJKWBY-GOSISDBHSA-N 1 0 364.474 2.797 50 30 FFEARO N#CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000046027748 570920575 /nfs/dbraw/zinc/92/05/75/570920575.db2.gz PAQVRVYVNPTCHB-UHFFFAOYSA-N 1 0 363.461 2.912 50 30 FFEARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000670462639 571357119 /nfs/dbraw/zinc/35/71/19/571357119.db2.gz PAHIYYUCKXOCEC-SFHVURJKSA-N 1 0 373.522 2.550 50 30 FFEARO CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]Cc2cn3ccccc3n2)C1 ZINC000329304723 971049972 /nfs/dbraw/zinc/04/99/72/971049972.db2.gz OLPYYVHMBRIWAF-MRXNPFEDSA-N 1 0 352.442 2.844 50 30 FFEARO CC(C)[NH+]1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000005909743 204230041 /nfs/dbraw/zinc/23/00/41/204230041.db2.gz NYLUYVCNRGOWNV-UHFFFAOYSA-N 1 0 374.304 2.588 50 30 FFEARO C[N@H+](Cc1ccccc1)[C@@H]1C[C@]2(CCCO2)CC[C@H]1OS(C)(=O)=O ZINC000071766917 205029792 /nfs/dbraw/zinc/02/97/92/205029792.db2.gz NYFYLBNGYNIZQT-KURKYZTESA-N 1 0 353.484 2.565 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH2+]Cc3cccnc3)C(=O)O[C@@H]1C2 ZINC000012659903 206293843 /nfs/dbraw/zinc/29/38/43/206293843.db2.gz VQWYYIOVDKGSML-OVDOOKCHSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000057681812 206387236 /nfs/dbraw/zinc/38/72/36/206387236.db2.gz XKNCPGJLBQEOAO-QGZVFWFLSA-N 1 0 354.406 2.549 50 30 FFEARO N#Cc1cc2c(nc1N1CC[N@H+](C3CCCC3)[C@@H](CCO)C1)CCCC2 ZINC000107013839 132240912 /nfs/dbraw/zinc/24/09/12/132240912.db2.gz NFGOUZJULGFVJU-IBGZPJMESA-N 1 0 354.498 2.648 50 30 FFEARO N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004336832 506372624 /nfs/dbraw/zinc/37/26/24/506372624.db2.gz QUZYPOVBRHGWIS-UHFFFAOYSA-N 1 0 355.463 2.501 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1 ZINC000020265633 507217359 /nfs/dbraw/zinc/21/73/59/507217359.db2.gz XTSCXTSFECSFGQ-CQSZACIVSA-N 1 0 362.476 2.950 50 30 FFEARO C=CC[C@@]1(CO)CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091288581 507979006 /nfs/dbraw/zinc/97/90/06/507979006.db2.gz YUKRNPIGKLSNFR-LJQANCHMSA-N 1 0 350.890 2.649 50 30 FFEARO C=CCN1CC[C@]2(CN(C/C(C)=C/c3ccco3)CC[N@H+]2C)CCC1=O ZINC000091624545 507996821 /nfs/dbraw/zinc/99/68/21/507996821.db2.gz CQFVEGCGVGZCAU-RHYRFBSLSA-N 1 0 357.498 2.868 50 30 FFEARO CCc1cc(C#N)ccc1NC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095502483 508191322 /nfs/dbraw/zinc/19/13/22/508191322.db2.gz KLFKYYMTTQTQIU-GOSISDBHSA-N 1 0 356.470 2.839 50 30 FFEARO Cc1csc(C[N@H+](C)C[C@H]2[C@@H]3CN(C(=O)c4cccc(C#N)c4)C[C@H]23)n1 ZINC000102829861 508287215 /nfs/dbraw/zinc/28/72/15/508287215.db2.gz XPYMQOUVXZWHEH-NNZMDNLPSA-N 1 0 366.490 2.773 50 30 FFEARO CN1C(=O)N(c2ccccc2)[C@H]([N+](=O)Cc2ccc3nonc3c2)C1(C)C ZINC000136222113 508680061 /nfs/dbraw/zinc/68/00/61/508680061.db2.gz OGEHXVNDVJTEML-FZJZADEZSA-N 1 0 365.393 2.829 50 30 FFEARO CN1C[C@]2(CCC[N@H+](CCCC(=O)Nc3ccc(C#N)cc3)C2)CCC1=O ZINC000244748552 509869678 /nfs/dbraw/zinc/86/96/78/509869678.db2.gz OJNZZBOXPLLWTP-NRFANRHFSA-N 1 0 368.481 2.611 50 30 FFEARO N#Cc1ccc(-c2cccc(C(=O)NC[C@@]3(O)CCC[NH2+]C3)c2)cc1Cl ZINC000426359521 513913069 /nfs/dbraw/zinc/91/30/69/513913069.db2.gz JVPHOCOJGZHWNG-HXUWFJFHSA-N 1 0 369.852 2.723 50 30 FFEARO C/[NH+]=C(/c1ccccc1)N1CCN(CCOc2ccc(OC)cc2)CC1 ZINC000025608707 518570680 /nfs/dbraw/zinc/57/06/80/518570680.db2.gz CNWVPKGPKIVLBC-DQRAZIAOSA-N 1 0 353.466 2.768 50 30 FFEARO C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCOCC2)cc1OC ZINC000002860655 519003569 /nfs/dbraw/zinc/00/35/69/519003569.db2.gz GWTPJCPHTVWZLQ-UHFFFAOYSA-N 1 0 354.878 2.725 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccn1 ZINC000020233426 520660133 /nfs/dbraw/zinc/66/01/33/520660133.db2.gz IJXNAKPSZKRICO-QGZVFWFLSA-N 1 0 369.421 2.595 50 30 FFEARO C[NH+]1CCC(c2ncc(C(=O)N[C@@H](C#N)c3ccccc3Cl)[nH]2)CC1 ZINC000685941732 571102053 /nfs/dbraw/zinc/10/20/53/571102053.db2.gz HMQSFMBAWDPENM-HNNXBMFYSA-N 1 0 357.845 2.867 50 30 FFEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(O)(c3ccccn3)CC2)s1 ZINC000670434346 571346310 /nfs/dbraw/zinc/34/63/10/571346310.db2.gz PGTPNWFHKINWIM-UHFFFAOYSA-N 1 0 356.491 2.749 50 30 FFEARO Cc1ccc(-n2nc(C#N)c(N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000033428922 203873146 /nfs/dbraw/zinc/87/31/46/203873146.db2.gz LNWCMYNSQQMJGP-UHFFFAOYSA-N 1 0 350.470 2.902 50 30 FFEARO COc1cc(Cl)cc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)c1OC ZINC000071754270 205440415 /nfs/dbraw/zinc/44/04/15/205440415.db2.gz WQFVYDNBPIMZNV-JTQLQIEISA-N 1 0 358.829 2.689 50 30 FFEARO N#Cc1cccc(COc2cccc(C[NH2+]CC3(O)CCOCC3)c2)c1 ZINC000238145894 206114844 /nfs/dbraw/zinc/11/48/44/206114844.db2.gz MEJLOAZMQWUDRF-UHFFFAOYSA-N 1 0 352.434 2.768 50 30 FFEARO CCOC(=O)/C(=C1/NC(=O)C=C(c2ccccc2)S1)[n+]1ccccc1 ZINC000038191457 506435180 /nfs/dbraw/zinc/43/51/80/506435180.db2.gz CKFSTTIVNQMCED-UHFFFAOYSA-O 1 0 353.423 2.567 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000020601618 507228009 /nfs/dbraw/zinc/22/80/09/507228009.db2.gz REYSGYAEADUOIZ-MRXNPFEDSA-N 1 0 356.445 2.557 50 30 FFEARO N#Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071750164 507711070 /nfs/dbraw/zinc/71/10/70/507711070.db2.gz QHLZYFAKGPYYSO-IBGZPJMESA-N 1 0 366.509 2.513 50 30 FFEARO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000076093774 508157969 /nfs/dbraw/zinc/15/79/69/508157969.db2.gz JWMSSXWFSFPMTJ-SFTDATJTSA-N 1 0 368.477 2.878 50 30 FFEARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000095385062 508182008 /nfs/dbraw/zinc/18/20/08/508182008.db2.gz CZHZSEKCXKKZGV-UHFFFAOYSA-N 1 0 365.481 2.726 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000102494879 508276479 /nfs/dbraw/zinc/27/64/79/508276479.db2.gz VBBQJQSFLHGPNM-SELCWUDQSA-N 1 0 368.408 2.809 50 30 FFEARO N#Cc1nnc2ccccc2c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000084587604 508286374 /nfs/dbraw/zinc/28/63/74/508286374.db2.gz RWFXTVGYEOBGRB-MRXNPFEDSA-N 1 0 351.454 2.583 50 30 FFEARO Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)cc[nH+]1 ZINC000225713509 509385762 /nfs/dbraw/zinc/38/57/62/509385762.db2.gz VXDUUVOWRRLNCP-UHFFFAOYSA-N 1 0 352.213 2.825 50 30 FFEARO N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000241144854 509843129 /nfs/dbraw/zinc/84/31/29/509843129.db2.gz JTRHVDYXJAGTQM-GOSISDBHSA-N 1 0 363.461 2.802 50 30 FFEARO N#Cc1ccc(N2CC[C@H](N3CCO[C@]4(CCc5ccccc54)C3)C2=O)cc1 ZINC000245503845 509969935 /nfs/dbraw/zinc/96/99/35/509969935.db2.gz DGAJWHBPKOQVFX-JTHBVZDNSA-N 1 0 373.456 2.837 50 30 FFEARO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)N[C@@H](C)c1ccccc1)CC2 ZINC000091585729 518860280 /nfs/dbraw/zinc/86/02/80/518860280.db2.gz KUCVKEBIAYJNOI-SFHVURJKSA-N 1 0 369.509 2.754 50 30 FFEARO COc1ccc(C(=O)C[n+]2ccc(-c3ccc(OC)c(OC)c3)nc2)cc1 ZINC000006127718 523594302 /nfs/dbraw/zinc/59/43/02/523594302.db2.gz HMDFTYINUXJNQE-UHFFFAOYSA-N 1 0 365.409 2.945 50 30 FFEARO COc1ccc(C(=O)C[n+]2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000001831868 523594551 /nfs/dbraw/zinc/59/45/51/523594551.db2.gz IJQBMKKBISINMM-UHFFFAOYSA-N 1 0 363.441 2.851 50 30 FFEARO OCC#Cc1csc(C[N@@H+]2CCCN(Cc3ccccc3F)CC2)c1 ZINC000828644587 999577559 /nfs/dbraw/zinc/57/75/59/999577559.db2.gz HNVJKPMGWHSMNB-UHFFFAOYSA-N 1 0 358.482 2.939 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+](CC=C)CC=C)C2 ZINC000014747511 1021681644 /nfs/dbraw/zinc/68/16/44/1021681644.db2.gz YGVSRJFZKZMARO-QGZVFWFLSA-N 1 0 354.498 2.836 50 30 FFEARO CCOC(=O)c1c2c(sc1NC(=O)C[NH+](CC)CC)/C(=N/O)CCC2 ZINC000004350935 204133897 /nfs/dbraw/zinc/13/38/97/204133897.db2.gz OLBAOWISRQKCOL-XDHOZWIPSA-N 1 0 367.471 2.720 50 30 FFEARO Cc1ccc(NC(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)nc1 ZINC000058181701 205255846 /nfs/dbraw/zinc/25/58/46/205255846.db2.gz PYIQXWGMHSBXGB-UHFFFAOYSA-N 1 0 364.449 2.991 50 30 FFEARO N#Cc1ccc(CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000057991805 205247088 /nfs/dbraw/zinc/24/70/88/205247088.db2.gz AFIGCJQOMWLXRP-JOCHJYFZSA-N 1 0 374.444 2.645 50 30 FFEARO N#Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000057150908 136128314 /nfs/dbraw/zinc/12/83/14/136128314.db2.gz ZCQCIQHBIJAJOI-UHFFFAOYSA-N 1 0 372.347 2.557 50 30 FFEARO N#Cc1ccc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)cc1 ZINC000071388696 507701856 /nfs/dbraw/zinc/70/18/56/507701856.db2.gz LYALMOPXCHNUQT-UHFFFAOYSA-N 1 0 373.460 2.871 50 30 FFEARO CN(C)P(=N[P@+]1(NC(C)(C)C)NCCCN1C)(N(C)C)N(C)C ZINC000071771927 507714623 /nfs/dbraw/zinc/71/46/23/507714623.db2.gz SDSPQCWIJHBQQU-JOCHJYFZSA-N 1 0 366.455 2.608 50 30 FFEARO OCC#Cc1ccc([C@H]2c3[nH]cnc3CC[N@H+]2CCc2ccccc2)cc1 ZINC000072478662 507797240 /nfs/dbraw/zinc/79/72/40/507797240.db2.gz QRJVIAUBEHBDHV-QHCPKHFHSA-N 1 0 357.457 2.944 50 30 FFEARO CC(C)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1NC(=O)C1CCOCC1 ZINC000092002126 508031037 /nfs/dbraw/zinc/03/10/37/508031037.db2.gz FXSHTXUTIPZVSP-UXHICEINSA-N 1 0 355.482 2.557 50 30 FFEARO COCC[NH2+][C@H](c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000096663700 508215333 /nfs/dbraw/zinc/21/53/33/508215333.db2.gz WWOFVAWCDSLEKV-NHCUHLMSSA-N 1 0 363.461 2.884 50 30 FFEARO Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000097732694 508229686 /nfs/dbraw/zinc/22/96/86/508229686.db2.gz JLJNYECCHITFFR-KRWDZBQOSA-N 1 0 368.481 2.506 50 30 FFEARO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000333502480 511265807 /nfs/dbraw/zinc/26/58/07/511265807.db2.gz CULMVNOGHSMVMH-KURKYZTESA-N 1 0 356.466 2.682 50 30 FFEARO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000333502483 511266182 /nfs/dbraw/zinc/26/61/82/511266182.db2.gz CULMVNOGHSMVMH-SQNIBIBYSA-N 1 0 356.466 2.682 50 30 FFEARO CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@](F)(CO)C2)c2cccs2)CC1 ZINC000328711674 729794849 /nfs/dbraw/zinc/79/48/49/729794849.db2.gz RLFJDYWNAVUJDU-QAPCUYQASA-N 1 0 369.506 2.841 50 30 FFEARO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000328854592 970692887 /nfs/dbraw/zinc/69/28/87/970692887.db2.gz WMIYCCZSTCVZNI-MRXNPFEDSA-N 1 0 356.474 2.886 50 30 FFEARO CC(C)(O)C#Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC001506412285 1059500138 /nfs/dbraw/zinc/50/01/38/1059500138.db2.gz BNBNEZRZKXKEBA-GOSISDBHSA-N 1 0 354.494 2.803 50 30 FFEARO N#Cc1cccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000047032987 205140763 /nfs/dbraw/zinc/14/07/63/205140763.db2.gz CPCQIRHHKRZFRB-LJQANCHMSA-N 1 0 355.463 2.674 50 30 FFEARO Cc1ccnc(NC(=O)C2CC[NH+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000058218773 205263737 /nfs/dbraw/zinc/26/37/37/205263737.db2.gz JIUJTYCBMZBKDT-UHFFFAOYSA-N 1 0 364.449 2.991 50 30 FFEARO COc1ccc(OC)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)c1 ZINC000067692032 205383230 /nfs/dbraw/zinc/38/32/30/205383230.db2.gz IIJMJFXYHGXUDK-MEDUHNTESA-N 1 0 350.422 2.911 50 30 FFEARO N#Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000107147295 206016575 /nfs/dbraw/zinc/01/65/75/206016575.db2.gz SRCAXDZYERMXLK-QUCCMNQESA-N 1 0 364.449 2.563 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCN4CCCC4=O)[C@H]3C[C@H]12 ZINC000004028598 206163922 /nfs/dbraw/zinc/16/39/22/206163922.db2.gz NWNADTATLWRPLF-ACMVSEJYSA-N 1 0 374.525 2.903 50 30 biogenic FFEARO CS(=O)(=O)NC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000032899557 506307738 /nfs/dbraw/zinc/30/77/38/506307738.db2.gz ZTUHBYXVYWZYFC-UHFFFAOYSA-N 1 0 369.490 2.739 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1 ZINC000006812670 506510750 /nfs/dbraw/zinc/51/07/50/506510750.db2.gz AJUROQXBJKEADA-HVESIFNPSA-N 1 0 354.406 2.653 50 30 FFEARO COc1ccc(-n2cc(-c3cc(C4CC[NH2+]CC4)c(C#N)c(N)n3)cn2)cc1 ZINC000071750183 507710446 /nfs/dbraw/zinc/71/04/46/507710446.db2.gz SHZOLFYJVDQXBU-UHFFFAOYSA-N 1 0 374.448 2.864 50 30 FFEARO N#Cc1c(N)nc2c(c1-c1cnc(SCc3ccccc3)nc1)C[NH2+]CC2 ZINC000072121657 507750236 /nfs/dbraw/zinc/75/02/36/507750236.db2.gz VRIXTCSFULKQBM-UHFFFAOYSA-N 1 0 374.473 2.930 50 30 FFEARO N#Cc1ccc(NC(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)cc1 ZINC000089781000 507866026 /nfs/dbraw/zinc/86/60/26/507866026.db2.gz AAXZXSKMCMSIRH-UHFFFAOYSA-N 1 0 356.470 2.839 50 30 FFEARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(C#N)cc1)C2 ZINC000091390916 507982932 /nfs/dbraw/zinc/98/29/32/507982932.db2.gz RMMUQMSECUJRNC-PKOBYXMFSA-N 1 0 364.449 2.900 50 30 FFEARO N#CC1(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)CCOCC1 ZINC000095363551 508176771 /nfs/dbraw/zinc/17/67/71/508176771.db2.gz LVEJDHZSJVPSKC-PKOBYXMFSA-N 1 0 371.456 2.569 50 30 FFEARO N#Cc1cccc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095362939 508176968 /nfs/dbraw/zinc/17/69/68/508176968.db2.gz NUUSVVOPNPLEDC-MTNREXPMSA-N 1 0 374.444 2.749 50 30 FFEARO Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000095497227 508189710 /nfs/dbraw/zinc/18/97/10/508189710.db2.gz JWJDKOJUGKVUFL-LJQANCHMSA-N 1 0 364.493 2.923 50 30 FFEARO C=CCn1c(S[C@H](CC)C(=O)NC(C)(C)C)nnc1C1CC[NH2+]CC1 ZINC000426424382 513937595 /nfs/dbraw/zinc/93/75/95/513937595.db2.gz QWXGZFHZMWWBFY-CQSZACIVSA-N 1 0 365.547 2.717 50 30 FFEARO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)c(F)c1 ZINC000109351995 570916385 /nfs/dbraw/zinc/91/63/85/570916385.db2.gz PPMSZHSOWFBKKW-KRWDZBQOSA-N 1 0 352.413 2.555 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000014746444 1021681700 /nfs/dbraw/zinc/68/17/00/1021681700.db2.gz ATGCSFABKDZHOK-MRXNPFEDSA-N 1 0 374.435 2.696 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000005445189 204209420 /nfs/dbraw/zinc/20/94/20/204209420.db2.gz WHQPQRKVIJWIAD-SELCWUDQSA-N 1 0 368.408 2.809 50 30 FFEARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000014165558 204571433 /nfs/dbraw/zinc/57/14/33/204571433.db2.gz UBSQREKHAJQZLR-UHFFFAOYSA-N 1 0 357.479 2.879 50 30 FFEARO N#Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1 ZINC000052829346 205186637 /nfs/dbraw/zinc/18/66/37/205186637.db2.gz WQRSSDNMAGVQSI-UHFFFAOYSA-N 1 0 350.422 2.683 50 30 FFEARO N#Cc1cc2c(ccn(CCC3CC[NH+](C4CCCC4)CC3)c2=O)[nH]c1=O ZINC000067772563 205390547 /nfs/dbraw/zinc/39/05/47/205390547.db2.gz GKTBHZXOIIBLLF-UHFFFAOYSA-N 1 0 366.465 2.606 50 30 FFEARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000015359597 206315737 /nfs/dbraw/zinc/31/57/37/206315737.db2.gz GXVTXKIWASOXNB-UHFFFAOYSA-N 1 0 357.479 2.879 50 30 FFEARO C#CC1(OC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CCCCC1 ZINC000012419858 532988648 /nfs/dbraw/zinc/98/86/48/532988648.db2.gz WQHUJXMQMAMHMD-HXUWFJFHSA-N 1 0 372.509 2.531 50 30 FFEARO C=C(C)C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccc(C)cc2)CC1 ZINC000006759161 132371532 /nfs/dbraw/zinc/37/15/32/132371532.db2.gz TYARNOJGCVNRMM-UHFFFAOYSA-N 1 0 362.481 2.881 50 30 FFEARO C=C(C)C[NH+]1CCN(c2cc(C)nc3c4c(nn32)nc(C)cc4C)CC1 ZINC000002338369 132373619 /nfs/dbraw/zinc/37/36/19/132373619.db2.gz VPRLLNYPXIXQGE-UHFFFAOYSA-N 1 0 350.470 2.901 50 30 FFEARO C#CC[NH+]1CCC(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000040158622 506477755 /nfs/dbraw/zinc/47/77/55/506477755.db2.gz TWMPVRRTFGWFPE-UHFFFAOYSA-N 1 0 354.372 2.589 50 30 FFEARO C=CCOc1cccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000015184533 507023906 /nfs/dbraw/zinc/02/39/06/507023906.db2.gz STRLMJHAJAUIHQ-UHFFFAOYSA-N 1 0 357.454 2.596 50 30 FFEARO O=[N+]([O-])c1ccc(/C=N/c2ccc(N3CC[NH+](CCO)CC3)cc2)s1 ZINC000019890442 507206274 /nfs/dbraw/zinc/20/62/74/507206274.db2.gz FQAXKVVZFPUSDH-QGOAFFKASA-N 1 0 360.439 2.521 50 30 FFEARO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000025234600 507477926 /nfs/dbraw/zinc/47/79/26/507477926.db2.gz ODQOJURRKIHSSC-SFHVURJKSA-N 1 0 370.449 2.837 50 30 FFEARO Cc1ccc(OCC[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025699672 507523932 /nfs/dbraw/zinc/52/39/32/507523932.db2.gz UHKCOLQTRAHTLD-IBGZPJMESA-N 1 0 354.450 2.812 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)CC(OC)OC)[C@H]3C[C@H]12 ZINC000061695588 507632882 /nfs/dbraw/zinc/63/28/82/507632882.db2.gz YHZOBPBMQMCRTE-FLXNRXMOSA-N 1 0 351.487 2.851 50 30 biogenic FFEARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)c1nc(C(F)(F)F)ccc1C#N ZINC000095460534 508187184 /nfs/dbraw/zinc/18/71/84/508187184.db2.gz XPDMBVDOAPKKNS-UHFFFAOYSA-N 1 0 372.391 2.682 50 30 FFEARO C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1cc(N2CCCCC2)ncn1 ZINC000067955483 534801929 /nfs/dbraw/zinc/80/19/29/534801929.db2.gz IWEWIIQELOIEOC-LJQANCHMSA-N 1 0 373.545 2.818 50 30 FFEARO Cc1ccc(S(=O)(=O)NCC#CC[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000085470662 525563821 /nfs/dbraw/zinc/56/38/21/525563821.db2.gz YQAKYTNVVAFDIT-UHFFFAOYSA-N 1 0 356.491 2.717 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005595843 525979650 /nfs/dbraw/zinc/97/96/50/525979650.db2.gz FBWAFTDDFQGCKV-HVESIFNPSA-N 1 0 372.396 2.710 50 30 FFEARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)Nc2ccc(F)cc2)CC1 ZINC000004574626 204147908 /nfs/dbraw/zinc/14/79/08/204147908.db2.gz LOERDRAJGKDDBC-UHFFFAOYSA-N 1 0 364.490 2.549 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000005576918 204215989 /nfs/dbraw/zinc/21/59/89/204215989.db2.gz GRTZKZDUGMGSGM-UYTDBDHRSA-N 1 0 374.437 2.871 50 30 FFEARO COc1ccc2c(c1OC)Cc1c-2nc(N)c(C#N)c1[C@@H]1CCC[NH2+]C1 ZINC000071748998 205438116 /nfs/dbraw/zinc/43/81/16/205438116.db2.gz BPRCLMNBIAAHLZ-LLVKDONJSA-N 1 0 350.422 2.591 50 30 FFEARO CC(C)[NH+]1CCC(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000095357904 132207551 /nfs/dbraw/zinc/20/75/51/132207551.db2.gz PYCDZVWTNDNZSF-UHFFFAOYSA-N 1 0 354.498 2.717 50 30 FFEARO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NC1CC[NH+](C(C)C)CC1 ZINC000013165293 506931117 /nfs/dbraw/zinc/93/11/17/506931117.db2.gz LNNSOLWCUJCSNJ-OAHLLOKOSA-N 1 0 367.453 2.695 50 30 FFEARO C[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1 ZINC000020000401 507208690 /nfs/dbraw/zinc/20/86/90/507208690.db2.gz KGAPOBLIDURTOR-UHFFFAOYSA-N 1 0 356.426 2.811 50 30 aggregator FFEARO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022933678 507321872 /nfs/dbraw/zinc/32/18/72/507321872.db2.gz ZDOUHCGWTAFKOE-SFHVURJKSA-N 1 0 362.477 2.746 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCSCC4)[C@H]3[C@@H]3O[C@]312 ZINC000061996975 507649441 /nfs/dbraw/zinc/64/94/41/507649441.db2.gz CKYQAVNWWXHSSL-NJUPKOGBSA-N 1 0 351.512 2.561 50 30 biogenic FFEARO CCCn1nnc2cc(-c3cc([C@H]4CCC[NH2+]C4)c(C#N)c(N)n3)ccc21 ZINC000071753847 507712293 /nfs/dbraw/zinc/71/22/93/507712293.db2.gz HQDFVJQVGGUMPN-AWEZNQCLSA-N 1 0 361.453 2.824 50 30 FFEARO COc1ccc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)c(Cl)c1OC ZINC000071762088 507714754 /nfs/dbraw/zinc/71/47/54/507714754.db2.gz HIYFVUDBAFHBGR-VIFPVBQESA-N 1 0 358.829 2.689 50 30 FFEARO N#Cc1c(N)nc2c(c1-c1cccc(OCc3ccccn3)c1)C[NH2+]CC2 ZINC000072134505 507755128 /nfs/dbraw/zinc/75/51/28/507755128.db2.gz LUKIEEIQTBLSDF-UHFFFAOYSA-N 1 0 357.417 2.822 50 30 FFEARO C=CCN1CC[C@@]2(CN(C/C(C)=C/c3ccco3)CC[N@H+]2C)CCC1=O ZINC000107665181 507862010 /nfs/dbraw/zinc/86/20/10/507862010.db2.gz CQFVEGCGVGZCAU-BKBDBRRMSA-N 1 0 357.498 2.868 50 30 FFEARO C[N@@H+]1CCC[C@@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 ZINC000090730343 507934685 /nfs/dbraw/zinc/93/46/85/507934685.db2.gz YDATXNBNWVAMJQ-CQSZACIVSA-N 1 0 354.372 2.546 50 30 FFEARO C=CCN1CC[C@]2(CN(C(=O)Nc3ccc(F)cc3)CC[N@H+]2C)CCC1=O ZINC000091320520 507980178 /nfs/dbraw/zinc/98/01/78/507980178.db2.gz DGMGNGNFYQOKTM-FQEVSTJZSA-N 1 0 374.460 2.542 50 30 FFEARO C#CCN(C)c1cnc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cn1 ZINC000253427841 509881926 /nfs/dbraw/zinc/88/19/26/509881926.db2.gz AYMFZQOWYIXKOM-UHFFFAOYSA-N 1 0 374.448 2.859 50 30 FFEARO C=CCn1c(SCc2[nH]cc(C)c(=O)c2C)nnc1C1CC[NH2+]CC1 ZINC000426536222 513973533 /nfs/dbraw/zinc/97/35/33/513973533.db2.gz CMLFWNBGVSEYDW-UHFFFAOYSA-N 1 0 359.499 2.529 50 30 FFEARO C=CCn1c(SCc2noc(CC(C)C)n2)nnc1C1CC[NH2+]CC1 ZINC000426599833 513991766 /nfs/dbraw/zinc/99/17/66/513991766.db2.gz YGXOEGWVQMUBSH-UHFFFAOYSA-N 1 0 362.503 2.805 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000014741547 519287366 /nfs/dbraw/zinc/28/73/66/519287366.db2.gz ZUDXGAWRLFZJKG-HNNXBMFYSA-N 1 0 354.454 2.545 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccco1 ZINC000102498131 520652979 /nfs/dbraw/zinc/65/29/79/520652979.db2.gz LMEWIDNHLGEGNQ-IBOXJLQUSA-N 1 0 358.394 2.636 50 30 FFEARO COC[C@@H]1CCC[N@@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000252462274 522461681 /nfs/dbraw/zinc/46/16/81/522461681.db2.gz REILRXPTAKYZGI-JEOUVKQFSA-N 1 0 363.498 2.624 50 30 biogenic FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccs1 ZINC000006419206 524054585 /nfs/dbraw/zinc/05/45/85/524054585.db2.gz QSRYXDXMXTZHQK-UYTDBDHRSA-N 1 0 371.462 2.517 50 30 FFEARO CN(CC[N@H+](C)C1CCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000952982245 740472738 /nfs/dbraw/zinc/47/27/38/740472738.db2.gz QWNLUAWWMALTGF-UHFFFAOYSA-N 1 0 355.891 2.707 50 30 FFEARO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000581801252 999945821 /nfs/dbraw/zinc/94/58/21/999945821.db2.gz UBTVRHAAZGTOGF-IBGZPJMESA-N 1 0 367.493 2.911 50 30 FFEARO CC[N+](CC)(CCOC(=O)C(c1ccccc1)c1ccccc1)CC(N)=O ZINC000003023657 204073892 /nfs/dbraw/zinc/07/38/92/204073892.db2.gz TUDFKTZIKPSSRB-UHFFFAOYSA-O 1 0 369.485 2.704 50 30 FFEARO Clc1cc(I)cc(Cl)c1NC1=[NH+]CCN1 ZINC000002539822 204043875 /nfs/dbraw/zinc/04/38/75/204043875.db2.gz HSRPTPAPMBHRRJ-UHFFFAOYSA-N 1 0 355.994 2.778 50 30 in-vitro FFEARO N#Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000014183108 204572142 /nfs/dbraw/zinc/57/21/42/204572142.db2.gz ZAUDZRCYJIBONY-UHFFFAOYSA-N 1 0 355.463 2.633 50 30 FFEARO C=CCC[C@@H](C[N@H+](C)Cc1cccnc1)Oc1cc(C(=O)NC)ccn1 ZINC000067841344 205027525 /nfs/dbraw/zinc/02/75/25/205027525.db2.gz KTIGNAYUWTUWQV-SFHVURJKSA-N 1 0 354.454 2.682 50 30 FFEARO COc1ccccc1CN1CCC([NH2+]Cc2cc(C#N)n(C)c2C)CC1 ZINC000058023031 205248111 /nfs/dbraw/zinc/24/81/11/205248111.db2.gz JVYCEOZSJRFCLK-UHFFFAOYSA-N 1 0 352.482 2.968 50 30 FFEARO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccc(C#N)cc1 ZINC000057681811 206387098 /nfs/dbraw/zinc/38/70/98/206387098.db2.gz XKNCPGJLBQEOAO-KRWDZBQOSA-N 1 0 354.406 2.549 50 30 FFEARO N#Cc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000057150923 136128289 /nfs/dbraw/zinc/12/82/89/136128289.db2.gz GISLAAINKUVENL-UHFFFAOYSA-N 1 0 372.347 2.557 50 30 FFEARO N#Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763245 506291192 /nfs/dbraw/zinc/29/11/92/506291192.db2.gz HJORAHFQQBLWIJ-MRXNPFEDSA-N 1 0 355.463 2.952 50 30 FFEARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000032951893 506318867 /nfs/dbraw/zinc/31/88/67/506318867.db2.gz HJXRLQMSBWVABL-UHFFFAOYSA-N 1 0 361.511 2.691 50 30 FFEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH3+])[C@@H]2c2cccs2)cc1 ZINC000003766472 506349869 /nfs/dbraw/zinc/34/98/69/506349869.db2.gz QDCJOHGZVOIIOL-MRXNPFEDSA-N 1 0 372.446 2.684 50 30 FFEARO C=CCOc1ccc(I)cc1C[NH2+]C(C)(C)CO ZINC000004866145 506400014 /nfs/dbraw/zinc/40/00/14/506400014.db2.gz UQPGHJNXHOOQEE-UHFFFAOYSA-N 1 0 361.223 2.717 50 30 FFEARO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000091745319 508007067 /nfs/dbraw/zinc/00/70/67/508007067.db2.gz BSJSPBQEFDQQSB-RBUKOAKNSA-N 1 0 364.449 2.786 50 30 FFEARO N#Cc1ccnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000095352784 508173966 /nfs/dbraw/zinc/17/39/66/508173966.db2.gz HJYVXNHYOYYNBF-MTNREXPMSA-N 1 0 374.444 2.749 50 30 FFEARO COc1nccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000328759818 511928425 /nfs/dbraw/zinc/92/84/25/511928425.db2.gz XATLMGSLKKMFQH-HNNXBMFYSA-N 1 0 355.442 2.627 50 30 FFEARO C[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000534581833 517952756 /nfs/dbraw/zinc/95/27/56/517952756.db2.gz GUAXKWCFSRBBNM-QGZVFWFLSA-N 1 0 354.498 2.984 50 30 FFEARO COc1ccc(CCNC(=O)NCC#CC[N@H+](C)Cc2ccccc2)cc1 ZINC000085470646 523963387 /nfs/dbraw/zinc/96/33/87/523963387.db2.gz FYSPOEXZPDKREA-UHFFFAOYSA-N 1 0 365.477 2.672 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 ZINC000008467813 524054075 /nfs/dbraw/zinc/05/40/75/524054075.db2.gz RZJUYHXRHASIOL-IBOXJLQUSA-N 1 0 371.462 2.517 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 ZINC000102866903 524054110 /nfs/dbraw/zinc/05/41/10/524054110.db2.gz RZJUYHXRHASIOL-UYTDBDHRSA-N 1 0 371.462 2.517 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000004312395 525980691 /nfs/dbraw/zinc/98/06/91/525980691.db2.gz ABNSXPAMIOVJRB-WOOAAIBNSA-N 1 0 364.445 2.978 50 30 FFEARO OCC#Cc1csc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020780493 527520807 /nfs/dbraw/zinc/52/08/07/527520807.db2.gz ZNSGUEHLTQHBFJ-SFHVURJKSA-N 1 0 358.482 2.985 50 30 FFEARO N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000048365805 209332652 /nfs/dbraw/zinc/33/26/52/209332652.db2.gz IONVBMXCXWAQAZ-UHFFFAOYSA-N 1 0 366.440 2.844 50 30 FFEARO CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000107067130 209275428 /nfs/dbraw/zinc/27/54/28/209275428.db2.gz JWMSSXWFSFPMTJ-RTWAWAEBSA-N 1 0 368.477 2.878 50 30 FFEARO O=C1CC(c2ccco2)CC(=O)C1=CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000100130334 209208966 /nfs/dbraw/zinc/20/89/66/209208966.db2.gz MMXNHQPUXNQFSE-KPMSDPLLSA-N 1 0 350.418 2.656 50 30 FFEARO C=CCN1CC[C@@]2(CN(C(=O)Nc3ccccc3F)CC[N@H+]2C)CCC1=O ZINC000095354108 206691485 /nfs/dbraw/zinc/69/14/85/206691485.db2.gz LXBPNFJTVWNHJV-HXUWFJFHSA-N 1 0 374.460 2.542 50 30 FFEARO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 ZINC000067011074 132306123 /nfs/dbraw/zinc/30/61/23/132306123.db2.gz KZBQCLFUMAWDQY-UHFFFAOYSA-N 1 0 352.438 2.729 50 30 FFEARO C#C[C@](C)(CC)OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012421433 132373461 /nfs/dbraw/zinc/37/34/61/132373461.db2.gz UERUPUAVVXIPPP-RTBURBONSA-N 1 0 350.890 2.641 50 30 FFEARO O=C(C[N+]12CCN(CC1)CC2)N1c2ccccc2Sc2ccccc21 ZINC000005126012 506424003 /nfs/dbraw/zinc/42/40/03/506424003.db2.gz MTXIYGZJBPUHTN-UHFFFAOYSA-N 1 0 352.483 2.962 50 30 biogenic FFEARO CCCCC(=O)N1CCC2(CC1)CN(Cc1ccccc1C#N)CC[N@@H+]2C ZINC000067856613 507026820 /nfs/dbraw/zinc/02/68/20/507026820.db2.gz IEBCXBVKICOFJG-UHFFFAOYSA-N 1 0 368.525 2.857 50 30 FFEARO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000020455299 507222874 /nfs/dbraw/zinc/22/28/74/507222874.db2.gz CUJJEJIKUSSUIX-NRFANRHFSA-N 1 0 372.553 2.724 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](C[NH+]3CCSCC3)C(=O)O[C@@H]1C2 ZINC000061992853 507650056 /nfs/dbraw/zinc/65/00/56/507650056.db2.gz ISRUYQDZFXREJX-DGUWLTKGSA-N 1 0 351.512 2.562 50 30 biogenic FFEARO COc1cc(Cl)cc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)c1OC ZINC000071754271 507712307 /nfs/dbraw/zinc/71/23/07/507712307.db2.gz WQFVYDNBPIMZNV-SNVBAGLBSA-N 1 0 358.829 2.689 50 30 FFEARO COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1C[N@H+](CC(C)C)CC2 ZINC000072146544 507758216 /nfs/dbraw/zinc/75/82/16/507758216.db2.gz FRGWGAKTTDDRIK-UHFFFAOYSA-N 1 0 352.438 2.931 50 30 FFEARO N#Cc1cccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072156413 507762396 /nfs/dbraw/zinc/76/23/96/507762396.db2.gz FJTMLOQZJUVZKY-BHDDXSALSA-N 1 0 373.456 2.966 50 30 FFEARO N#Cc1cc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)ccc1N1CCCC1 ZINC000072477788 507797196 /nfs/dbraw/zinc/79/71/96/507797196.db2.gz YCYDXGSUWXBCAK-UHFFFAOYSA-N 1 0 373.464 2.701 50 30 FFEARO Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000077321862 508300644 /nfs/dbraw/zinc/30/06/44/508300644.db2.gz DUWYSWUDINJWIR-UHFFFAOYSA-N 1 0 364.497 2.662 50 30 FFEARO N#Cc1ccc(O[C@@H]2COCC[C@H]2[NH2+]C2CSCCSC2)cc1 ZINC000219966092 509293317 /nfs/dbraw/zinc/29/33/17/509293317.db2.gz YIQFVVNMYHFQBS-IAGOWNOFSA-N 1 0 350.509 2.533 50 30 FFEARO C=CC[C@]1(C(=O)NC2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000225621717 509380136 /nfs/dbraw/zinc/38/01/36/509380136.db2.gz JVULHJMQBZNNCH-LJQANCHMSA-N 1 0 351.491 2.543 50 30 FFEARO C[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)CC1 ZINC000426730259 514026120 /nfs/dbraw/zinc/02/61/20/514026120.db2.gz BMLMPVPOZNHCFC-NRFANRHFSA-N 1 0 374.488 2.687 50 30 FFEARO C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102392 518310921 /nfs/dbraw/zinc/31/09/21/518310921.db2.gz NGIHTQZDNQXDHH-HXUWFJFHSA-N 1 0 357.425 2.847 50 30 FFEARO CCN(CC)c1ccc(C=[NH+]N2CCN(c3ccccn3)CC2)c(O)c1 ZINC000239846267 520889708 /nfs/dbraw/zinc/88/97/08/520889708.db2.gz LATNZNGZFSHVLP-UHFFFAOYSA-N 1 0 353.470 2.790 50 30 FFEARO C=C(Cl)Cn1c(=O)c(C[NH2+]CCn2ccnc2)cc2ccc(F)cc21 ZINC000011912000 727812531 /nfs/dbraw/zinc/81/25/31/727812531.db2.gz LYLKFVNRXPJRSL-UHFFFAOYSA-N 1 0 360.820 2.879 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCSC)C2 ZINC000014534508 727818358 /nfs/dbraw/zinc/81/83/58/727818358.db2.gz CDSLEGNKZCUTOR-OAHLLOKOSA-N 1 0 362.543 2.505 50 30 FFEARO NS(=O)(=O)c1ccc(CC/[NH+]=C/c2ccc(Br)cc2)cc1 ZINC000100725750 209216352 /nfs/dbraw/zinc/21/63/52/209216352.db2.gz ZAWMAAMAOMLJMZ-WOJGMQOQSA-N 1 0 367.268 2.758 50 30 FFEARO COCc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011131 208370444 /nfs/dbraw/zinc/37/04/44/208370444.db2.gz TWNUTZHDTVEOIL-UHFFFAOYSA-N 1 0 351.450 2.909 50 30 FFEARO Cc1c(C[NH2+][C@H](C)CCN2CCN(c3ccccc3)CC2)cc(C#N)n1C ZINC000058007722 136130351 /nfs/dbraw/zinc/13/03/51/136130351.db2.gz NULUEPMTNLYVHI-GOSISDBHSA-N 1 0 365.525 2.896 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccs1 ZINC000008771827 263357110 /nfs/dbraw/zinc/35/71/10/263357110.db2.gz UYRNCUNPWMIHHP-IDTYTIONSA-N 1 0 360.435 2.715 50 30 FFEARO N#Cc1ccc(N2CCN(Cc3ccc(C[NH+]4CCCC4)s3)CC2)nc1 ZINC000065394751 506293033 /nfs/dbraw/zinc/29/30/33/506293033.db2.gz JXYSJMAOZXQMSA-UHFFFAOYSA-N 1 0 367.522 2.933 50 30 FFEARO C[N@@H+](Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[C@@H]1COCCO1 ZINC000065455813 506302483 /nfs/dbraw/zinc/30/24/83/506302483.db2.gz YYZDUKHAJBDTNW-HXUWFJFHSA-N 1 0 365.433 2.658 50 30 FFEARO C[N@@H+](Cc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[C@H]1COCCO1 ZINC000065455815 506302672 /nfs/dbraw/zinc/30/26/72/506302672.db2.gz YYZDUKHAJBDTNW-FQEVSTJZSA-N 1 0 365.433 2.658 50 30 FFEARO C=C(C)C[N@@H+](CC)CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000040161503 506478159 /nfs/dbraw/zinc/47/81/59/506478159.db2.gz HBOQKPLUUHKYAP-SFHVURJKSA-N 1 0 357.454 2.756 50 30 FFEARO COc1cc(OC)cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)c1 ZINC000067856824 507028670 /nfs/dbraw/zinc/02/86/70/507028670.db2.gz IKVAYRMOBGUORR-YVEFUNNKSA-N 1 0 350.422 2.911 50 30 FFEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH3+])[C@@H]2c2ccccc2)cc1 ZINC000019933711 507206215 /nfs/dbraw/zinc/20/62/15/507206215.db2.gz ZGAUCPXVQHRMIG-GOSISDBHSA-N 1 0 366.417 2.622 50 30 FFEARO COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccccn1)[N@H+](C)CC3)OCO2 ZINC000020111754 507212294 /nfs/dbraw/zinc/21/22/94/507212294.db2.gz YBIIDIGFVMXLJU-XWCAUFEOSA-N 1 0 355.394 2.617 50 30 biogenic FFEARO CCOC(=O)C(CC#CC[N@@H+]1CCCC[C@@H]1c1cccnc1)C(=O)OCC ZINC000061999398 507650236 /nfs/dbraw/zinc/65/02/36/507650236.db2.gz BJQPESVQPROFRD-LJQANCHMSA-N 1 0 372.465 2.745 50 30 biogenic FFEARO N#Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071764752 507714408 /nfs/dbraw/zinc/71/44/08/507714408.db2.gz FEJDWYURQHZYMN-IBGZPJMESA-N 1 0 366.509 2.513 50 30 FFEARO C[C@@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000075121313 508084884 /nfs/dbraw/zinc/08/48/84/508084884.db2.gz NGNYSJPDSJXDLH-OAHLLOKOSA-N 1 0 366.465 2.757 50 30 FFEARO C=CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1cnn(-c2ccccc2OC)c1 ZINC000299779856 511678255 /nfs/dbraw/zinc/67/82/55/511678255.db2.gz QOMQPIDCHMZNBR-KRWDZBQOSA-N 1 0 354.454 2.538 50 30 FFEARO CC[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCOC)CCN1C(=O)OC(C)(C)C ZINC000328593774 511889317 /nfs/dbraw/zinc/88/93/17/511889317.db2.gz HEWNMLWNUFACTH-HUUCEWRRSA-N 1 0 357.495 2.557 50 30 FFEARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Nc3cccc(C#N)c3)cc2C1 ZINC000082157695 519723106 /nfs/dbraw/zinc/72/31/06/519723106.db2.gz FDAYVADXTYAFHV-UHFFFAOYSA-N 1 0 366.469 2.938 50 30 FFEARO CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CC1CC[NH2+]CC1 ZINC000102865237 521557012 /nfs/dbraw/zinc/55/70/12/521557012.db2.gz XNHGNAIOLZYVFD-FYJGNVAPSA-N 1 0 371.441 2.857 50 30 FFEARO CCOCCCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccccc1 ZINC000003261647 521705193 /nfs/dbraw/zinc/70/51/93/521705193.db2.gz DPHKWLVPEZVLRI-UHFFFAOYSA-O 1 0 373.498 2.938 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F ZINC000019808029 521759746 /nfs/dbraw/zinc/75/97/46/521759746.db2.gz SVRHGSYHHZAPCX-INIZCTEOSA-N 1 0 358.369 2.559 50 30 FFEARO COC[C@@H]1CCC[N@@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12 ZINC000252462273 522460053 /nfs/dbraw/zinc/46/00/53/522460053.db2.gz REILRXPTAKYZGI-FXKZTBAMSA-N 1 0 363.498 2.624 50 30 biogenic FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+](CC=C)CC=C)C2 ZINC000014747512 970296867 /nfs/dbraw/zinc/29/68/67/970296867.db2.gz YGVSRJFZKZMARO-KRWDZBQOSA-N 1 0 354.498 2.836 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccs1 ZINC000005576869 207106507 /nfs/dbraw/zinc/10/65/07/207106507.db2.gz GRTZKZDUGMGSGM-IBOXJLQUSA-N 1 0 374.437 2.871 50 30 FFEARO N#Cc1ccccc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355196 209024275 /nfs/dbraw/zinc/02/42/75/209024275.db2.gz APXDARIGZSUYRU-BHDDXSALSA-N 1 0 373.456 2.966 50 30 FFEARO Cc1nnc(N[C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)c(C#N)c1C ZINC000057142533 136128262 /nfs/dbraw/zinc/12/82/62/136128262.db2.gz NMUNEELEVLJQQU-MRXNPFEDSA-N 1 0 350.470 2.890 50 30 FFEARO [NH2+]=C(Nc1ccc2c(c1)OCCO2)SCc1nc(=O)c2sccc2[n-]1 ZINC000019671993 263375545 /nfs/dbraw/zinc/37/55/45/263375545.db2.gz IWWLBTWNGSOVFK-UHFFFAOYSA-N 1 0 374.447 2.635 50 30 FFEARO C=CC[N@@H+](C[C@H](O)COCC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146303 506398760 /nfs/dbraw/zinc/39/87/60/506398760.db2.gz BGXQEDAMVPUSHZ-IRXDYDNUSA-N 1 0 352.862 2.718 50 30 FFEARO C=C(C)COc1ccc2c(C)c(CC(=O)NCCC[NH+](C)C)c(=O)oc2c1 ZINC000009340596 506691735 /nfs/dbraw/zinc/69/17/35/506691735.db2.gz AGALWCVDBOWXLD-UHFFFAOYSA-N 1 0 372.465 2.667 50 30 FFEARO CC1(C)Cc2c(C#N)c(N3CC[NH2+]CC3)nc(Cc3ccccc3)c2CO1 ZINC000013777585 506955926 /nfs/dbraw/zinc/95/59/26/506955926.db2.gz KOLCWDYXUQVBKA-UHFFFAOYSA-N 1 0 362.477 2.805 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000019927996 507205065 /nfs/dbraw/zinc/20/50/65/507205065.db2.gz LONDGNMUQDZLJD-INIZCTEOSA-N 1 0 358.369 2.559 50 30 FFEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(OC)c1 ZINC000020035654 507209662 /nfs/dbraw/zinc/20/96/62/507209662.db2.gz SSGQISAUXNQSNT-GOSISDBHSA-N 1 0 360.454 2.712 50 30 FFEARO Cc1ccnc(NC(=O)C2CC[NH+](CCOc3ccccc3C#N)CC2)c1 ZINC000058160926 507375728 /nfs/dbraw/zinc/37/57/28/507375728.db2.gz QNSDIUKVORCROZ-UHFFFAOYSA-N 1 0 364.449 2.991 50 30 FFEARO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000024926314 507448684 /nfs/dbraw/zinc/44/86/84/507448684.db2.gz IRWLSAGHHFJZQC-UHFFFAOYSA-N 1 0 351.406 2.790 50 30 FFEARO CN(C)P(=N[P@@+]1(NC(C)(C)C)NCCCN1C)(N(C)C)N(C)C ZINC000071771926 507714662 /nfs/dbraw/zinc/71/46/62/507714662.db2.gz SDSPQCWIJHBQQU-QFIPXVFZSA-N 1 0 366.455 2.608 50 30 FFEARO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C#CCCO)cc1)C2 ZINC000091409964 507983566 /nfs/dbraw/zinc/98/35/66/507983566.db2.gz CBUXCFAMLFIMJA-FCHUYYIVSA-N 1 0 366.505 2.810 50 30 FFEARO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC(C(F)F)CC2)CCC[N@@H+]1C ZINC000329523505 512063472 /nfs/dbraw/zinc/06/34/72/512063472.db2.gz RQAHSTLEYWQTGH-GOEBONIOSA-N 1 0 369.460 2.694 50 30 FFEARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC000426477476 513951742 /nfs/dbraw/zinc/95/17/42/513951742.db2.gz YNRUCHFDQBNLPG-GOSISDBHSA-N 1 0 363.461 2.923 50 30 FFEARO CC(C)(C[NH+]1CCCCC1)NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000426595056 513990023 /nfs/dbraw/zinc/99/00/23/513990023.db2.gz RFIZWZBHUNKEEH-UHFFFAOYSA-N 1 0 369.513 2.654 50 30 FFEARO C/[NH+]=C(\c1ccccc1)N1CCN(CCOc2ccc(OC)cc2)CC1 ZINC000105035089 1010212135 /nfs/dbraw/zinc/21/21/35/1010212135.db2.gz CNWVPKGPKIVLBC-QURGRASLSA-N 1 0 353.466 2.768 50 30 FFEARO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(C#CC(C)(C)O)c3)C[C@@](C)(C1)C2 ZINC000952969359 1011015720 /nfs/dbraw/zinc/01/57/20/1011015720.db2.gz STPVKBWFXAQPRB-SZPZYZBQSA-N 1 0 354.494 2.613 50 30 FFEARO CCCCCCCC(=O)N1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000102992514 209245234 /nfs/dbraw/zinc/24/52/34/209245234.db2.gz HGMNSYXEYAVEMU-AZUAARDMSA-N 1 0 373.541 2.976 50 30 FFEARO CCOCCCNC(NCc1ccc(OC)cc1)=[NH+]CCCCOC ZINC000058304751 208577620 /nfs/dbraw/zinc/57/76/20/208577620.db2.gz OXULSAPGYCNSSY-UHFFFAOYSA-N 1 0 351.491 2.584 50 30 FFEARO CCN1CC[C@@]2(CN(c3nc(C(C)C)ccc3C#N)CC[N@@H+]2C)CCC1=O ZINC000091650457 132202776 /nfs/dbraw/zinc/20/27/76/132202776.db2.gz GVNSTPPAAHDSIC-OAQYLSRUSA-N 1 0 369.513 2.600 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F ZINC000019582288 263374212 /nfs/dbraw/zinc/37/42/12/263374212.db2.gz QDAYNYPMWGNROQ-QGZVFWFLSA-N 1 0 372.396 2.949 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1F ZINC000019582286 263374552 /nfs/dbraw/zinc/37/45/52/263374552.db2.gz QDAYNYPMWGNROQ-KRWDZBQOSA-N 1 0 372.396 2.949 50 30 FFEARO CCOc1ccc(C(=O)ONC(=[NH2+])c2ccc(OC)cc2)cc1OCC ZINC000006949506 506518893 /nfs/dbraw/zinc/51/88/93/506518893.db2.gz XCVKSOZELZPHNO-UHFFFAOYSA-N 1 0 358.394 2.970 50 30 FFEARO C=CCOc1c(Cl)cc(CN2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000055153232 506686551 /nfs/dbraw/zinc/68/65/51/506686551.db2.gz JJUSMBXOMCKSMR-IRXDYDNUSA-N 1 0 366.889 2.554 50 30 FFEARO Cc1ncc2c(c1C#N)CCN(C(=O)[C@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000055227415 506703032 /nfs/dbraw/zinc/70/30/32/506703032.db2.gz ZEQMPFWDKAZQER-INIZCTEOSA-N 1 0 364.449 2.652 50 30 FFEARO C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]CCOC)c1=O ZINC000012218842 506836552 /nfs/dbraw/zinc/83/65/52/506836552.db2.gz UFWRONFVESYPEU-UHFFFAOYSA-N 1 0 366.845 2.507 50 30 FFEARO CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000012835307 506908178 /nfs/dbraw/zinc/90/81/78/506908178.db2.gz WTQHXQSHIDGXEU-QFIPXVFZSA-N 1 0 370.493 2.740 50 30 FFEARO COC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)C[N@H+](C)CC2 ZINC000020406624 507220402 /nfs/dbraw/zinc/22/04/02/507220402.db2.gz BTBKGPGUMYPXFH-UHFFFAOYSA-N 1 0 359.476 2.935 50 30 FFEARO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000025234595 507478504 /nfs/dbraw/zinc/47/85/04/507478504.db2.gz ODQOJURRKIHSSC-GOSISDBHSA-N 1 0 370.449 2.837 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCSCC1 ZINC000061992850 507650297 /nfs/dbraw/zinc/65/02/97/507650297.db2.gz ISRUYQDZFXREJX-AUTURXRWSA-N 1 0 351.512 2.562 50 30 biogenic FFEARO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CCO)C(C)C)c1C#N ZINC000170653646 509700734 /nfs/dbraw/zinc/70/07/34/509700734.db2.gz NSSJBVXLOQYNMG-UHFFFAOYSA-N 1 0 354.454 2.607 50 30 FFEARO COc1ccc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1C#N ZINC000426563548 513981025 /nfs/dbraw/zinc/98/10/25/513981025.db2.gz ZUEBUULPOWVAIM-UHFFFAOYSA-N 1 0 365.437 2.748 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccco1)C2 ZINC000014543268 519286561 /nfs/dbraw/zinc/28/65/61/519286561.db2.gz XBGKQDNNKWPKCU-INIZCTEOSA-N 1 0 368.481 2.935 50 30 FFEARO COc1ccc(N2C(=O)C[C@@H](SC(=[NH2+])Nc3ccccc3)C2=O)cc1 ZINC000013550135 524393089 /nfs/dbraw/zinc/39/30/89/524393089.db2.gz NHDWRKZDZXTELC-OAHLLOKOSA-N 1 0 355.419 2.707 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCSC)C2 ZINC000014534509 727818335 /nfs/dbraw/zinc/81/83/35/727818335.db2.gz CDSLEGNKZCUTOR-HNNXBMFYSA-N 1 0 362.543 2.505 50 30 FFEARO [NH2+]=C(NCc1csc2ccccc12)N1CCN(c2nccs2)CC1 ZINC000095948332 728480639 /nfs/dbraw/zinc/48/06/39/728480639.db2.gz HAQPQXQNQWMDEZ-UHFFFAOYSA-N 1 0 357.508 2.995 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](C)Cc1ccco1)C2 ZINC000014747634 970300623 /nfs/dbraw/zinc/30/06/23/970300623.db2.gz NNCJMYRTQQSCQX-INIZCTEOSA-N 1 0 368.481 2.887 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccc(C)c(F)c1)C2 ZINC000019839218 1022546732 /nfs/dbraw/zinc/54/67/32/1022546732.db2.gz AQEVKZRSPVKHER-MRXNPFEDSA-N 1 0 370.472 2.866 50 30 FFEARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000095506380 209065460 /nfs/dbraw/zinc/06/54/60/209065460.db2.gz DDRCJZZKRRHGTA-TZIWHRDSSA-N 1 0 350.418 2.537 50 30 FFEARO N#Cc1c(N)n[nH]c1CCCCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000012506712 263370559 /nfs/dbraw/zinc/37/05/59/263370559.db2.gz ZZUCHPVRDPPABS-UHFFFAOYSA-N 1 0 366.513 2.831 50 30 FFEARO C=CC[N@@H+]1CC[C@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000065370099 506290687 /nfs/dbraw/zinc/29/06/87/506290687.db2.gz JCXDMDVQMREJCR-OAHLLOKOSA-N 1 0 362.495 2.564 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1 ZINC000013127321 506929343 /nfs/dbraw/zinc/92/93/43/506929343.db2.gz AVUMYLIDAJXAKA-GOSISDBHSA-N 1 0 365.433 2.612 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1 ZINC000017139040 507117111 /nfs/dbraw/zinc/11/71/11/507117111.db2.gz NTCQKYPCXHNSSY-SFHVURJKSA-N 1 0 365.433 2.530 50 30 FFEARO COc1ccc(CCN2C=C(O)C(c3nc4ccc(C)cc4[nH]3)C2=[NH2+])cc1 ZINC000019820081 507201762 /nfs/dbraw/zinc/20/17/62/507201762.db2.gz ZUHYYSDFWTVFIL-UHFFFAOYSA-N 1 0 362.433 2.635 50 30 FFEARO C#CC1(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000022917926 507318832 /nfs/dbraw/zinc/31/88/32/507318832.db2.gz BKDKTFBTJZEBBY-OAQYLSRUSA-N 1 0 356.510 2.518 50 30 FFEARO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000058178265 507380150 /nfs/dbraw/zinc/38/01/50/507380150.db2.gz JZJAJDMRJQCERE-OAHLLOKOSA-N 1 0 351.406 2.697 50 30 FFEARO COC(=O)c1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)cs1 ZINC000071714702 507708846 /nfs/dbraw/zinc/70/88/46/507708846.db2.gz SQQKUUCEJNSKIX-GXFFZTMASA-N 1 0 354.435 2.742 50 30 FFEARO C[N@@H+]1CCC[C@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 ZINC000090730342 507934939 /nfs/dbraw/zinc/93/49/39/507934939.db2.gz YDATXNBNWVAMJQ-AWEZNQCLSA-N 1 0 354.372 2.546 50 30 FFEARO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000091575065 507993234 /nfs/dbraw/zinc/99/32/34/507993234.db2.gz JECUOHPUTUFXNW-UHFFFAOYSA-N 1 0 365.477 2.919 50 30 FFEARO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(F)cc(Br)c1 ZINC000330606505 511002309 /nfs/dbraw/zinc/00/23/09/511002309.db2.gz KNYCAWHPDRMJCV-CQSZACIVSA-N 1 0 359.239 2.740 50 30 FFEARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@](F)(CO)C1 ZINC000328680548 511913726 /nfs/dbraw/zinc/91/37/26/511913726.db2.gz CAWUBUYRVNKKPS-AQDPXUSMSA-N 1 0 361.461 2.502 50 30 FFEARO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[C@@](F)(CO)C1 ZINC000328680549 511914005 /nfs/dbraw/zinc/91/40/05/511914005.db2.gz CAWUBUYRVNKKPS-DLZDZTESSA-N 1 0 361.461 2.502 50 30 FFEARO CO[C@H]1CN(C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1c1ccncc1 ZINC000575554253 518230755 /nfs/dbraw/zinc/23/07/55/518230755.db2.gz PNAXFIAACTUPNY-VXKWHMMOSA-N 1 0 362.477 2.990 50 30 FFEARO CCC[NH+]1CCN(CCCNC(=S)Nc2ccc(OC)cc2)CC1 ZINC000022797754 519857520 /nfs/dbraw/zinc/85/75/20/519857520.db2.gz LBMTZBPJZPWPCS-UHFFFAOYSA-N 1 0 350.532 2.811 50 30 FFEARO OCC#Cc1csc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020780490 527521558 /nfs/dbraw/zinc/52/15/58/527521558.db2.gz ZNSGUEHLTQHBFJ-GOSISDBHSA-N 1 0 358.482 2.985 50 30 FFEARO N#Cc1cc(C[NH+]2CCC(CNC(=O)c3ccc(F)cc3F)CC2)c[nH]1 ZINC000826756107 999414935 /nfs/dbraw/zinc/41/49/35/999414935.db2.gz UEEAIDDIUSQEAE-UHFFFAOYSA-N 1 0 358.392 2.807 50 30 FFEARO CN1C(=O)N(c2ccccc2)[C@H]([N+](=O)Cc2ccc3nonc3c2)C1(C)C ZINC000002425833 209395435 /nfs/dbraw/zinc/39/54/35/209395435.db2.gz OGEHXVNDVJTEML-QWUOEIFBSA-N 1 0 365.393 2.829 50 30 FFEARO C#CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012381137 532988000 /nfs/dbraw/zinc/98/80/00/532988000.db2.gz SPZBELCEWZYPKC-QGZVFWFLSA-N 1 0 370.415 2.617 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000019788483 220296171 /nfs/dbraw/zinc/29/61/71/220296171.db2.gz FWHMOCAPLULCTL-SFHVURJKSA-N 1 0 366.417 2.532 50 30 FFEARO C=CC[N@@H+]1CC[C@@H](CNC(=O)CCSc2ccc3c(c2)OCCO3)C1 ZINC000065370100 506290323 /nfs/dbraw/zinc/29/03/23/506290323.db2.gz JCXDMDVQMREJCR-HNNXBMFYSA-N 1 0 362.495 2.564 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000013570764 506945165 /nfs/dbraw/zinc/94/51/65/506945165.db2.gz XGUOTXZSMMTLDT-MRXNPFEDSA-N 1 0 356.447 2.888 50 30 FFEARO CC(=O)C1=C(O)C(=O)N(CC[NH+](C(C)C)C(C)C)[C@H]1c1ccc(O)cc1 ZINC000019923229 507206297 /nfs/dbraw/zinc/20/62/97/507206297.db2.gz SUXDPMDFCQHABG-SFHVURJKSA-N 1 0 360.454 2.795 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCCSC)C2 ZINC000020137615 507212351 /nfs/dbraw/zinc/21/23/51/507212351.db2.gz MLHSZILASIWHDX-OAHLLOKOSA-N 1 0 362.543 2.505 50 30 FFEARO CC[NH+]1CCN([C@H](C)CNc2oc(-c3ccccc3C)nc2C#N)CC1 ZINC000072238490 507770680 /nfs/dbraw/zinc/77/06/80/507770680.db2.gz ZMVIUDLZSYXWFJ-MRXNPFEDSA-N 1 0 353.470 2.960 50 30 FFEARO CC[NH+](CC)CCN(CC(=O)NCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000072313466 507775306 /nfs/dbraw/zinc/77/53/06/507775306.db2.gz ZJWTWPCLXOZBNL-UHFFFAOYSA-N 1 0 371.312 2.777 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccs1 ZINC000006419205 524055169 /nfs/dbraw/zinc/05/51/69/524055169.db2.gz QSRYXDXMXTZHQK-IBOXJLQUSA-N 1 0 371.462 2.517 50 30 FFEARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000670462638 571357114 /nfs/dbraw/zinc/35/71/14/571357114.db2.gz PAHIYYUCKXOCEC-GOSISDBHSA-N 1 0 373.522 2.550 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccc(C)c(F)c1)C2 ZINC000019839220 968028523 /nfs/dbraw/zinc/02/85/23/968028523.db2.gz AQEVKZRSPVKHER-INIZCTEOSA-N 1 0 370.472 2.866 50 30 FFEARO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)s1 ZINC000820608243 998465415 /nfs/dbraw/zinc/46/54/15/998465415.db2.gz CUXBGPUKFLPQHA-UHFFFAOYSA-N 1 0 357.479 2.704 50 30 FFEARO CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000952979488 1011025745 /nfs/dbraw/zinc/02/57/45/1011025745.db2.gz QCFOZENSYMQOMH-IBGZPJMESA-N 1 0 366.461 2.969 50 30 FFEARO C=CCn1ncc(C[N@@H+]2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)c1C ZINC001529167856 1062199521 /nfs/dbraw/zinc/19/95/21/1062199521.db2.gz POPJRFABTIEFMR-GCJKJVERSA-N 1 0 362.477 2.961 50 30 FFEARO N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3CN3CCCC3=O)n2c1 ZINC000238056304 209357867 /nfs/dbraw/zinc/35/78/67/209357867.db2.gz SNRLQXBNRLBXBN-UHFFFAOYSA-N 1 0 359.433 2.618 50 30 FFEARO C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@@H+](C)C4)c2C)c1 ZINC000069818605 208122559 /nfs/dbraw/zinc/12/25/59/208122559.db2.gz JNCKYILIKKWDCQ-UHFFFAOYSA-N 1 0 371.444 2.797 50 30 FFEARO CC(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000092028146 209012401 /nfs/dbraw/zinc/01/24/01/209012401.db2.gz HVHLTTYYLPNJPY-UXHICEINSA-N 1 0 355.482 2.557 50 30 FFEARO Cc1ccc(C#N)c(N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)n1 ZINC000091829316 132204080 /nfs/dbraw/zinc/20/40/80/132204080.db2.gz JYOJAPJNTXIWKQ-UHFFFAOYSA-N 1 0 364.497 2.995 50 30 FFEARO COc1ccccc1-c1cc[n+](CC(=O)Nc2ccccc2C(C)=O)cn1 ZINC000002529451 506282020 /nfs/dbraw/zinc/28/20/20/506282020.db2.gz YWTWEHBKDQYYPX-UHFFFAOYSA-O 1 0 362.409 2.886 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]Cc1cccnc1 ZINC000003999468 506353888 /nfs/dbraw/zinc/35/38/88/506353888.db2.gz VQWYYIOVDKGSML-DOVHUEEUSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012702580 506889293 /nfs/dbraw/zinc/88/92/93/506889293.db2.gz XZRNDUFRNLSZRH-GOSISDBHSA-N 1 0 361.530 2.524 50 30 FFEARO CN1CCN(Cc2cccn2-c2ccc(C#N)cc2)CC12CC[NH+](C)CC2 ZINC000067805039 507012894 /nfs/dbraw/zinc/01/28/94/507012894.db2.gz SBSKKPKEZYUWDR-UHFFFAOYSA-N 1 0 363.509 2.561 50 30 FFEARO CC(=O)C1=C(O)C(=O)N(CC[NH+](C(C)C)C(C)C)[C@@H]1c1ccc(O)cc1 ZINC000019923231 507205725 /nfs/dbraw/zinc/20/57/25/507205725.db2.gz SUXDPMDFCQHABG-GOSISDBHSA-N 1 0 360.454 2.795 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000020908925 507237961 /nfs/dbraw/zinc/23/79/61/507237961.db2.gz OEQDMQOSRSZTPP-GOSISDBHSA-N 1 0 364.493 2.952 50 30 FFEARO C[C@H](C(=O)N1CCCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406363 507253585 /nfs/dbraw/zinc/25/35/85/507253585.db2.gz MQUVHEDNGFTCBK-LJQANCHMSA-N 1 0 368.525 2.857 50 30 FFEARO N#Cc1ccc(NC(=O)CCC[N@H+]2CCOc3ccc(CO)cc3C2)cc1 ZINC000244764168 509868730 /nfs/dbraw/zinc/86/87/30/509868730.db2.gz PCNJLXKFCKFOPN-UHFFFAOYSA-N 1 0 365.433 2.664 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 ZINC000005445159 524054364 /nfs/dbraw/zinc/05/43/64/524054364.db2.gz IGXXFLBLZNMKGM-GROYHEBESA-N 1 0 354.406 2.653 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccs1 ZINC000019927976 524055907 /nfs/dbraw/zinc/05/59/07/524055907.db2.gz QCOVMFKCDZTCKB-OAHLLOKOSA-N 1 0 360.435 2.871 50 30 FFEARO COC(=O)c1cc(-c2c(C#N)c(N)nc3c2C[N@@H+](C(C)C)CC3)cs1 ZINC000072144691 570525963 /nfs/dbraw/zinc/52/59/63/570525963.db2.gz JUDSJFJCBBDADP-UHFFFAOYSA-N 1 0 356.451 2.817 50 30 FFEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)s1 ZINC000820608269 998465614 /nfs/dbraw/zinc/46/56/14/998465614.db2.gz IUOPPAWAJDYOLV-KRWDZBQOSA-N 1 0 362.539 2.557 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000102436630 209235342 /nfs/dbraw/zinc/23/53/42/209235342.db2.gz KNUKLYIWUIQCIY-UYTDBDHRSA-N 1 0 356.447 2.731 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)CC(OC)OC)[C@H]3C[C@@H]12 ZINC000035361866 207135485 /nfs/dbraw/zinc/13/54/85/207135485.db2.gz YHZOBPBMQMCRTE-YNIGFRRXSA-N 1 0 351.487 2.851 50 30 biogenic FFEARO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1F ZINC000040138955 208233869 /nfs/dbraw/zinc/23/38/69/208233869.db2.gz SMUQIUCPXXNJSY-UHFFFAOYSA-N 1 0 354.429 2.971 50 30 FFEARO C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000095953364 209090235 /nfs/dbraw/zinc/09/02/35/209090235.db2.gz BLGWSZISUHDCFQ-JTQLQIEISA-N 1 0 374.495 2.766 50 30 FFEARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000082050521 132193616 /nfs/dbraw/zinc/19/36/16/132193616.db2.gz KPVZHNBVRQNAMM-UHFFFAOYSA-N 1 0 366.469 2.753 50 30 FFEARO O=C(N1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000053332872 506356207 /nfs/dbraw/zinc/35/62/07/506356207.db2.gz YSEDKLFURRHTDJ-ZETCQYMHSA-N 1 0 372.231 2.761 50 30 FFEARO C#CCOC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C ZINC000036104652 506395878 /nfs/dbraw/zinc/39/58/78/506395878.db2.gz NPWVBHVGODBTPL-FQEVSTJZSA-N 1 0 367.445 2.737 50 30 FFEARO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C(=O)NCC)C2)cc1OC ZINC000055199734 506697202 /nfs/dbraw/zinc/69/72/02/506697202.db2.gz LHSDXZPQVYFSRE-CQSZACIVSA-N 1 0 352.862 2.871 50 30 FFEARO N#Cc1cccc(C[NH+]2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1 ZINC000067773025 507004898 /nfs/dbraw/zinc/00/48/98/507004898.db2.gz HPLRZFJKEVAGME-UHFFFAOYSA-N 1 0 359.433 2.812 50 30 FFEARO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000229384091 509424331 /nfs/dbraw/zinc/42/43/31/509424331.db2.gz JWMSSXWFSFPMTJ-NHCUHLMSSA-N 1 0 368.477 2.878 50 30 FFEARO N#Cc1cc(F)ccc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000266451637 510596107 /nfs/dbraw/zinc/59/61/07/510596107.db2.gz XJOJOJSDZCBSJB-UHFFFAOYSA-N 1 0 358.461 2.516 50 30 FFEARO N#Cc1ccc(-c2ccc(C(=O)NCC[N@H+]3CCCC[C@@H]3CO)cc2)cc1 ZINC000426734157 514027853 /nfs/dbraw/zinc/02/78/53/514027853.db2.gz SKHDZIWCNAIJAR-OAQYLSRUSA-N 1 0 363.461 2.802 50 30 FFEARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000584897068 518529031 /nfs/dbraw/zinc/52/90/31/518529031.db2.gz VGQVUKJOMSNQPD-QGZVFWFLSA-N 1 0 369.513 2.510 50 30 FFEARO COCc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000015985600 522903570 /nfs/dbraw/zinc/90/35/70/522903570.db2.gz HEIUVWXGUHFISP-UHFFFAOYSA-N 1 0 365.393 2.767 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019928004 525790203 /nfs/dbraw/zinc/79/02/03/525790203.db2.gz SQWMHSBMJPOGHH-QGZVFWFLSA-N 1 0 372.396 2.867 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019884208 525985609 /nfs/dbraw/zinc/98/56/09/525985609.db2.gz CXYZDUZUGKGHDF-HNNXBMFYSA-N 1 0 360.435 2.789 50 30 FFEARO CC(C)(O)C#Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000952979492 1011025170 /nfs/dbraw/zinc/02/51/70/1011025170.db2.gz QCFOZENSYMQOMH-LJQANCHMSA-N 1 0 366.461 2.969 50 30 FFEARO C=CCN1CC[C@@]2(CN(Cc3cc(F)cc(F)c3)CC[N@H+]2C)CCC1=O ZINC000107418535 210139730 /nfs/dbraw/zinc/13/97/30/210139730.db2.gz ZGRCVKNXKRTCEF-HXUWFJFHSA-N 1 0 363.452 2.650 50 30 FFEARO C=CCN1CC[C@]2(CN(C(=O)Nc3ccccc3F)CC[N@H+]2C)CCC1=O ZINC000095354107 210083978 /nfs/dbraw/zinc/08/39/78/210083978.db2.gz LXBPNFJTVWNHJV-FQEVSTJZSA-N 1 0 374.460 2.542 50 30 FFEARO C=CCn1cc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c(C)n1 ZINC000055036622 210067895 /nfs/dbraw/zinc/06/78/95/210067895.db2.gz KPKUXEQKQKKFLM-UHFFFAOYSA-N 1 0 351.454 2.776 50 30 FFEARO C=C(C)C[N@@H+](CC)CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000040161504 210045037 /nfs/dbraw/zinc/04/50/37/210045037.db2.gz HBOQKPLUUHKYAP-GOSISDBHSA-N 1 0 357.454 2.756 50 30 FFEARO Cc1ccc(NC(=O)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)cc1C#N ZINC000299776821 210021428 /nfs/dbraw/zinc/02/14/28/210021428.db2.gz DFPYKSFNRTVWKF-HXUWFJFHSA-N 1 0 369.513 2.891 50 30 FFEARO CCOC(=O)C(CC#CC[N@@H+]1CCCC[C@H]1c1cccnc1)C(=O)OCC ZINC000061999400 221138101 /nfs/dbraw/zinc/13/81/01/221138101.db2.gz BJQPESVQPROFRD-IBGZPJMESA-N 1 0 372.465 2.745 50 30 biogenic FFEARO C[NH+](C)CCn1nnc2cc(-c3noc(-c4cccc(C#N)c4)n3)ccc21 ZINC000065254993 221189282 /nfs/dbraw/zinc/18/92/82/221189282.db2.gz IHCKSOIXSPLRDA-UHFFFAOYSA-N 1 0 359.393 2.582 50 30 FFEARO N#Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1 ZINC000071750165 221362301 /nfs/dbraw/zinc/36/23/01/221362301.db2.gz QHLZYFAKGPYYSO-LJQANCHMSA-N 1 0 366.509 2.513 50 30 FFEARO C[C@@H]1C[C@@](O)(C#CCOc2ccc(Br)cc2)[C@H](C)C[N@@H+]1C ZINC000001885209 506271008 /nfs/dbraw/zinc/27/10/08/506271008.db2.gz BZEJSCRBMDUORW-CPUCHLNUSA-N 1 0 352.272 2.923 50 30 FFEARO COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCC[NH+]1CCCCC1 ZINC000032806376 506297806 /nfs/dbraw/zinc/29/78/06/506297806.db2.gz UJSQRUXQLQXGCH-OAHLLOKOSA-N 1 0 367.453 2.698 50 30 FFEARO N#Cc1c(N)nc2c(c1-c1ccc(OCc3ccccn3)cc1)C[NH2+]CC2 ZINC000072168661 507769345 /nfs/dbraw/zinc/76/93/45/507769345.db2.gz AXOHMRCTMFDJNV-UHFFFAOYSA-N 1 0 357.417 2.822 50 30 FFEARO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)cc1 ZINC000091548214 507991916 /nfs/dbraw/zinc/99/19/16/507991916.db2.gz IFVRCWDLRFLTMZ-NRFANRHFSA-N 1 0 353.466 2.552 50 30 FFEARO N#Cc1ccccc1-c1ccccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000241144855 509843450 /nfs/dbraw/zinc/84/34/50/509843450.db2.gz JTRHVDYXJAGTQM-SFHVURJKSA-N 1 0 363.461 2.802 50 30 FFEARO CC[NH+](CC)CC#CCOC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000001873586 520569280 /nfs/dbraw/zinc/56/92/80/520569280.db2.gz YGGLNZUXAWIXQH-UHFFFAOYSA-N 1 0 351.446 2.811 50 30 in-vitro FFEARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000082117429 521299193 /nfs/dbraw/zinc/29/91/93/521299193.db2.gz KKCXLTDHQXIDPD-AWEZNQCLSA-N 1 0 364.442 2.957 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000019884683 525790703 /nfs/dbraw/zinc/79/07/03/525790703.db2.gz FCESQUBFKOVFQR-MRXNPFEDSA-N 1 0 358.394 2.711 50 30 FFEARO N#C[C@@H]1CCCN(Cc2cccc(OCCCC[NH+]3CCOCC3)c2)C1 ZINC000215114960 526500337 /nfs/dbraw/zinc/50/03/37/526500337.db2.gz NOOJAJKJPOASHD-FQEVSTJZSA-N 1 0 357.498 2.913 50 30 FFEARO C[N@H+](Cc1cc(C#CCO)cs1)CC1(N2CCOCC2)CCCCC1 ZINC000828644611 999577296 /nfs/dbraw/zinc/57/72/96/999577296.db2.gz LRJAJTIDCOMUPE-UHFFFAOYSA-N 1 0 362.539 2.559 50 30 FFEARO CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000952980180 1011025615 /nfs/dbraw/zinc/02/56/15/1011025615.db2.gz VTFRWICZAGOLEO-UHFFFAOYSA-N 1 0 366.461 2.928 50 30 FFEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000004961951 536660941 /nfs/dbraw/zinc/66/09/41/536660941.db2.gz JROGFALLJMXTLC-NRFANRHFSA-O 1 0 374.420 2.709 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([N@H+](C)Cc1cccs1)C2 ZINC000014748484 210145294 /nfs/dbraw/zinc/14/52/94/210145294.db2.gz GPZMYXHFFAIKCS-AWEZNQCLSA-N 1 0 358.511 2.822 50 30 FFEARO COc1c(C)cnc(CNC(=O)c2ccc(C#CC(C)(C)O)cc2)c1C ZINC000065453897 210099882 /nfs/dbraw/zinc/09/98/82/210099882.db2.gz DGUKIELERVDZRD-UHFFFAOYSA-N 1 0 352.434 2.759 50 30 FFEARO C=C(C)COc1c(OC)cccc1-c1c(C#N)c(N)nc2c1C[C@@H]([NH3+])CC2 ZINC000071763982 210063899 /nfs/dbraw/zinc/06/38/99/210063899.db2.gz OFQODUKGMDDXJK-ZDUSSCGKSA-N 1 0 364.449 2.982 50 30 FFEARO C#CC1(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000023118511 532988498 /nfs/dbraw/zinc/98/84/98/532988498.db2.gz UOQIGMZTLWHOOA-HXUWFJFHSA-N 1 0 360.473 2.661 50 30 in-man FFEARO COC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc(C#N)nc2)c1 ZINC000067434038 221254504 /nfs/dbraw/zinc/25/45/04/221254504.db2.gz RKKVFPMYSGJTSF-LJQANCHMSA-N 1 0 350.422 2.816 50 30 FFEARO CC[NH+](CC)[C@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)c1ccco1 ZINC000067673883 221268434 /nfs/dbraw/zinc/26/84/34/221268434.db2.gz WXJKMIMOKWYQBQ-MRXNPFEDSA-N 1 0 352.394 2.650 50 30 FFEARO N#Cc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071738547 221357223 /nfs/dbraw/zinc/35/72/23/221357223.db2.gz QZTGEGAWRNRQBW-LJQANCHMSA-N 1 0 366.509 2.513 50 30 FFEARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000040088343 506465171 /nfs/dbraw/zinc/46/51/71/506465171.db2.gz AFULFGCSWGBZJM-MJGOQNOKSA-N 1 0 352.438 2.591 50 30 FFEARO N#Cc1c(SCC[NH+]2CCCC2)nc(N2CCOCC2)c2c1CCCC2 ZINC000006764628 506503982 /nfs/dbraw/zinc/50/39/82/506503982.db2.gz SYDWTIDRFODXPB-UHFFFAOYSA-N 1 0 372.538 2.857 50 30 FFEARO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000008772501 506669213 /nfs/dbraw/zinc/66/92/13/506669213.db2.gz JHQCNGYBWZCGPP-UHFFFAOYSA-N 1 0 363.461 2.980 50 30 FFEARO N#Cc1ccc(CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000057991812 507361710 /nfs/dbraw/zinc/36/17/10/507361710.db2.gz AFIGCJQOMWLXRP-QFIPXVFZSA-N 1 0 374.444 2.645 50 30 FFEARO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1F ZINC000025867683 507539865 /nfs/dbraw/zinc/53/98/65/507539865.db2.gz HHPMXTMXEVCQKA-KRWDZBQOSA-N 1 0 358.413 2.772 50 30 FFEARO NC(=[NH2+])NN=C1c2ccccc2C(c2ccccc2)(c2ccccc2)C1=O ZINC000252613714 509855185 /nfs/dbraw/zinc/85/51/85/509855185.db2.gz JDCFIZJDCNJBGN-UHFFFAOYSA-N 1 0 354.413 2.581 50 30 FFEARO C=CCC[NH+]1CCC(c2nnc(CNC(=O)OCc3ccccc3)[nH]2)CC1 ZINC000585138592 518546197 /nfs/dbraw/zinc/54/61/97/518546197.db2.gz JPWUHCFANLASLE-UHFFFAOYSA-N 1 0 369.469 2.987 50 30 FFEARO N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 ZINC000618257296 520968204 /nfs/dbraw/zinc/96/82/04/520968204.db2.gz UNDPHQIIQMHCMN-GJZGRUSLSA-N 1 0 363.808 2.971 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 ZINC000019938509 524054968 /nfs/dbraw/zinc/05/49/68/524054968.db2.gz LRUNKFUXPZSYRH-GOSISDBHSA-N 1 0 365.433 2.612 50 30 FFEARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(C#N)CC1 ZINC000058247012 524483127 /nfs/dbraw/zinc/48/31/27/524483127.db2.gz OORQSIVRGZGRNO-SFHVURJKSA-N 1 0 369.513 2.532 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000102539776 525945903 /nfs/dbraw/zinc/94/59/03/525945903.db2.gz DRUSDLLIMDHMOA-HVESIFNPSA-N 1 0 354.406 2.571 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)o1 ZINC000013569843 526021184 /nfs/dbraw/zinc/02/11/84/526021184.db2.gz DXGUHZMWBMUKCE-KRWDZBQOSA-N 1 0 369.421 2.513 50 30 FFEARO CCC[N@@H+]1CCc2nc(N)c(C#N)c(-c3ccc(OC)c(OC)c3)c2C1 ZINC000018241840 211196291 /nfs/dbraw/zinc/19/62/91/211196291.db2.gz OVDMDRKRPDBWKJ-UHFFFAOYSA-N 1 0 352.438 2.988 50 30 FFEARO COc1cccc(-n2cc(-c3cc(C4CC[NH2+]CC4)c(C#N)c(N)n3)cn2)c1 ZINC000071748759 221360769 /nfs/dbraw/zinc/36/07/69/221360769.db2.gz XSVQCMNYNXDMOA-UHFFFAOYSA-N 1 0 374.448 2.864 50 30 FFEARO COCC[NH2+][C@H](c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000096663698 222128139 /nfs/dbraw/zinc/12/81/39/222128139.db2.gz WWOFVAWCDSLEKV-LEWJYISDSA-N 1 0 363.461 2.884 50 30 FFEARO CN1C(=O)N(c2ccccc2)[C@@H]([N+](=O)Cc2ccc3nonc3c2)C1(C)C ZINC000002425834 506280306 /nfs/dbraw/zinc/28/03/06/506280306.db2.gz OGEHXVNDVJTEML-NSTHGIQOSA-N 1 0 365.393 2.829 50 30 FFEARO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1C ZINC000012534764 506874315 /nfs/dbraw/zinc/87/43/15/506874315.db2.gz BUYJHROTBKSYFT-HXUWFJFHSA-N 1 0 365.477 2.737 50 30 FFEARO C=CC[C@@]1(C(=O)NC2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000225621747 509380367 /nfs/dbraw/zinc/38/03/67/509380367.db2.gz JVULHJMQBZNNCH-IBGZPJMESA-N 1 0 351.491 2.543 50 30 FFEARO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101942 518302865 /nfs/dbraw/zinc/30/28/65/518302865.db2.gz MDYCCQRPHNAUII-FQEVSTJZSA-N 1 0 367.445 2.737 50 30 FFEARO C=CCOc1ccc(Br)cc1C[NH2+]CCCN1CCOCC1 ZINC000002860807 519018099 /nfs/dbraw/zinc/01/80/99/519018099.db2.gz CPNKHGJLZXXMAV-UHFFFAOYSA-N 1 0 369.303 2.826 50 30 FFEARO N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1 ZINC000618257295 520967793 /nfs/dbraw/zinc/96/77/93/520967793.db2.gz UNDPHQIIQMHCMN-CABCVRRESA-N 1 0 363.808 2.971 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccco1 ZINC000019996138 524055459 /nfs/dbraw/zinc/05/54/59/524055459.db2.gz XEOQMNWZSILFDU-HNNXBMFYSA-N 1 0 360.435 2.871 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019884210 525789996 /nfs/dbraw/zinc/78/99/96/525789996.db2.gz CXYZDUZUGKGHDF-OAHLLOKOSA-N 1 0 360.435 2.789 50 30 FFEARO C#Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cc1 ZINC000012718493 1014939165 /nfs/dbraw/zinc/93/91/65/1014939165.db2.gz ZMSMMKYYFAESKC-UHFFFAOYSA-N 1 0 365.521 2.623 50 30 FFEARO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000169782572 984967661 /nfs/dbraw/zinc/96/76/61/984967661.db2.gz HKUSOBDKBKHAME-LJQANCHMSA-N 1 0 367.493 2.911 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1cccc(C)c1)C2 ZINC000019799985 210157552 /nfs/dbraw/zinc/15/75/52/210157552.db2.gz VVKZSOBLYRCBHM-QGZVFWFLSA-N 1 0 352.482 2.726 50 30 FFEARO CC(C)(O)C#Cc1ccc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc1 ZINC000011878377 210139564 /nfs/dbraw/zinc/13/95/64/210139564.db2.gz GHFMSYVQLVGHPD-FGZHOGPDSA-N 1 0 370.537 2.620 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H]4CCCCNC4=O)[C@H]3C[C@H]12 ZINC000012660031 220016729 /nfs/dbraw/zinc/01/67/29/220016729.db2.gz FNZXGPROFSMFFW-NRBWNATRSA-N 1 0 360.498 2.559 50 30 biogenic FFEARO C#CC1(OC[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)CCCCC1 ZINC000012419861 532987911 /nfs/dbraw/zinc/98/79/11/532987911.db2.gz WQHUJXMQMAMHMD-FQEVSTJZSA-N 1 0 372.509 2.531 50 30 FFEARO Cn1nnc2c[n+](CC(=O)c3ccc(Cl)cc3)cc(Br)c21 ZINC000001789412 210371052 /nfs/dbraw/zinc/37/10/52/210371052.db2.gz WCACCAUYUPWHKM-UHFFFAOYSA-N 1 0 366.626 2.555 50 30 FFEARO Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095357981 132207397 /nfs/dbraw/zinc/20/73/97/132207397.db2.gz GBWHDVPWCJYCGP-KRWDZBQOSA-N 1 0 352.486 2.712 50 30 FFEARO C=C(C)C[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(F)c(F)c2)CC1 ZINC000009419000 132373255 /nfs/dbraw/zinc/37/32/55/132373255.db2.gz ROCFKTLDOOYURK-UHFFFAOYSA-N 1 0 370.407 2.792 50 30 FFEARO CCOC(=O)CNC(=S)N(CCC[NH+]1CCCC1)Cc1cccs1 ZINC000005184895 263339480 /nfs/dbraw/zinc/33/94/80/263339480.db2.gz DSDHEVYFZGCHJO-UHFFFAOYSA-N 1 0 369.556 2.885 50 30 FFEARO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000032931305 506315281 /nfs/dbraw/zinc/31/52/81/506315281.db2.gz ZACJPILEHVYDCW-UHFFFAOYSA-N 1 0 352.394 2.670 50 30 FFEARO C/[NH+]=C(\c1ccccc1)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000025637436 507517230 /nfs/dbraw/zinc/51/72/30/507517230.db2.gz CTQAVJVYJRBYJO-QURGRASLSA-N 1 0 350.466 2.628 50 30 FFEARO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c1 ZINC000095527252 508196397 /nfs/dbraw/zinc/19/63/97/508196397.db2.gz QFIDCCUUMAUJOW-FUHWJXTLSA-N 1 0 352.463 2.638 50 30 FFEARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000575546999 518230068 /nfs/dbraw/zinc/23/00/68/518230068.db2.gz VOUAABSLZRCZRE-KRWDZBQOSA-N 1 0 370.478 2.966 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccco1 ZINC000004427664 524054377 /nfs/dbraw/zinc/05/43/77/524054377.db2.gz CABLVWBFQVGBHF-IDTYTIONSA-N 1 0 360.435 2.715 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000004312394 525787798 /nfs/dbraw/zinc/78/77/98/525787798.db2.gz ABNSXPAMIOVJRB-LFVOPCPISA-N 1 0 364.445 2.978 50 30 FFEARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000329657333 971632364 /nfs/dbraw/zinc/63/23/64/971632364.db2.gz GSWMBNYWFHWZNM-APWZRJJASA-N 1 0 372.513 2.685 50 30 FFEARO C=CCC(=O)N(CCOC)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011998583 210140277 /nfs/dbraw/zinc/14/02/77/210140277.db2.gz QEOJTBRMERRVRP-UHFFFAOYSA-N 1 0 360.498 2.958 50 30 FFEARO C#CC[NH+]1CCC(C(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000058203372 210074556 /nfs/dbraw/zinc/07/45/56/210074556.db2.gz UGPBBZSWZJNDLV-KRWDZBQOSA-N 1 0 373.928 2.890 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccn2)cc1 ZINC000017044842 220201070 /nfs/dbraw/zinc/20/10/70/220201070.db2.gz UQCAIOVPBMIOEJ-SFHVURJKSA-N 1 0 365.433 2.530 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000019582782 211237124 /nfs/dbraw/zinc/23/71/24/211237124.db2.gz MQSHNSQPXYWMOG-GOSISDBHSA-N 1 0 368.408 2.966 50 30 FFEARO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000131583653 251000505 /nfs/dbraw/zinc/00/05/05/251000505.db2.gz DCJUPHRNUGRDNC-UHFFFAOYSA-N 1 0 363.461 2.890 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCSCC4)[C@H]3[C@@H]3O[C@]312 ZINC000061996974 221137809 /nfs/dbraw/zinc/13/78/09/221137809.db2.gz CKYQAVNWWXHSSL-CZXYUPSJSA-N 1 0 351.512 2.561 50 30 biogenic FFEARO C#C[C@](C)(CC)OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012421431 132373504 /nfs/dbraw/zinc/37/35/04/132373504.db2.gz UERUPUAVVXIPPP-RBUKOAKNSA-N 1 0 350.890 2.641 50 30 FFEARO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)nc1 ZINC000072151538 136142849 /nfs/dbraw/zinc/14/28/49/136142849.db2.gz RXGZGDJBHASLAA-HXUWFJFHSA-N 1 0 365.456 2.883 50 30 FFEARO N#Cc1ccccc1/C=C\C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000096930881 222142818 /nfs/dbraw/zinc/14/28/18/222142818.db2.gz KZLYWZHJKWUOFV-KUFMOJEASA-N 1 0 361.445 2.761 50 30 FFEARO C=CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1cnn(-c2cccc(OC)c2)c1 ZINC000012330311 506850408 /nfs/dbraw/zinc/85/04/08/506850408.db2.gz YCTDXDFRUZPHNY-KRWDZBQOSA-N 1 0 354.454 2.538 50 30 FFEARO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)c1C ZINC000012534765 506874084 /nfs/dbraw/zinc/87/40/84/506874084.db2.gz BUYJHROTBKSYFT-FQEVSTJZSA-N 1 0 365.477 2.737 50 30 FFEARO Cc1[nH]c2ccc(C#N)cc2c1CCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072479708 507797472 /nfs/dbraw/zinc/79/74/72/507797472.db2.gz JTGUWCJQCWDHPT-UHFFFAOYSA-N 1 0 371.448 2.754 50 30 FFEARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000077536603 508329987 /nfs/dbraw/zinc/32/99/87/508329987.db2.gz HTSLVPACJVNTKP-UHFFFAOYSA-N 1 0 352.486 2.611 50 30 FFEARO CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000329054301 511973674 /nfs/dbraw/zinc/97/36/74/511973674.db2.gz XJUXJSRPDWXPTP-BPQIPLTHSA-N 1 0 367.497 2.880 50 30 FFEARO C=CCn1c(N2CC[NH+](CC)CC2)nc2sc3c(c2c1=O)CCCC3 ZINC000012322955 534441885 /nfs/dbraw/zinc/44/18/85/534441885.db2.gz XBSWJKOTHZZUAV-UHFFFAOYSA-N 1 0 358.511 2.665 50 30 FFEARO C[NH+](C)CCOc1ccc(/C=C\C(=O)N(CCC#N)CC(F)(F)F)cc1 ZINC000606444104 521069936 /nfs/dbraw/zinc/06/99/36/521069936.db2.gz XBGJSSAPOMFNTI-TWGQIWQCSA-N 1 0 369.387 2.945 50 30 FFEARO CC[C@@H](C)NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000058213958 521899228 /nfs/dbraw/zinc/89/92/28/521899228.db2.gz GNTPYFFVEJLPJY-GFCCVEGCSA-N 1 0 358.408 2.745 50 30 FFEARO Cc1ccc(Nc2c(-c3ccccc3O)nc3c[n+](CC(N)=O)ccn32)cc1 ZINC000004763303 525321919 /nfs/dbraw/zinc/32/19/19/525321919.db2.gz TXPNGNGUOQDLIX-UHFFFAOYSA-O 1 0 374.424 2.532 50 30 FFEARO CC(C)N1CC[C@H](NC(=[NH2+])SCc2ncc(-c3cccs3)o2)C1=O ZINC000095946488 728480359 /nfs/dbraw/zinc/48/03/59/728480359.db2.gz FFYVOFZYLDHQDW-NSHDSACASA-N 1 0 364.496 2.960 50 30 FFEARO CC(C)(O)C#Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC001506412286 1059500712 /nfs/dbraw/zinc/50/07/12/1059500712.db2.gz BNBNEZRZKXKEBA-SFHVURJKSA-N 1 0 354.494 2.803 50 30 FFEARO C=CCOc1ccc(C[N@H+]2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cc1Cl ZINC001529126399 1062178421 /nfs/dbraw/zinc/17/84/21/1062178421.db2.gz ISZUTIPLCKMMOS-CRAIPNDOSA-N 1 0 361.873 2.972 50 30 FFEARO C=CCOc1ccc(C[N@@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cc1Cl ZINC001529153547 1062192426 /nfs/dbraw/zinc/19/24/26/1062192426.db2.gz FPLQTYBGTDWGBA-CRAIPNDOSA-N 1 0 359.857 2.730 50 30 FFEARO C=CCN1CC[C@@]2(CN(Cc3ccc(OCC)cc3)CC[N@@H+]2C)CCC1=O ZINC000107407274 210140459 /nfs/dbraw/zinc/14/04/59/210140459.db2.gz GRYCQYGXWPJWFO-JOCHJYFZSA-N 1 0 371.525 2.770 50 30 FFEARO OCC#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000095364369 210083852 /nfs/dbraw/zinc/08/38/52/210083852.db2.gz MXGKFQHYMKKUDZ-JTHBVZDNSA-N 1 0 361.489 2.522 50 30 FFEARO CC(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Cl)cc1Cl ZINC000019882050 211260086 /nfs/dbraw/zinc/26/00/86/211260086.db2.gz OTUQWINDZHDOBY-AWEZNQCLSA-N 1 0 357.237 2.839 50 30 FFEARO N#Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCCC[C@@H]3CCO)cc2)cn1 ZINC000065380651 221206233 /nfs/dbraw/zinc/20/62/33/221206233.db2.gz XBOBAHYSOUABPL-HXUWFJFHSA-N 1 0 364.449 2.942 50 30 FFEARO CC[NH+](CC)[C@@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)c1ccco1 ZINC000067673882 221268027 /nfs/dbraw/zinc/26/80/27/221268027.db2.gz WXJKMIMOKWYQBQ-INIZCTEOSA-N 1 0 352.394 2.650 50 30 FFEARO CCOc1ccc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000005013582 263337886 /nfs/dbraw/zinc/33/78/86/263337886.db2.gz HMPCJOLCVCBBCX-UHFFFAOYSA-N 1 0 373.365 2.870 50 30 FFEARO C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000055166441 506690747 /nfs/dbraw/zinc/69/07/47/506690747.db2.gz JMUHACIQPDPYRN-GOSISDBHSA-N 1 0 362.433 2.821 50 30 FFEARO C[C@]1(C#N)CCCN(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000534590136 517957106 /nfs/dbraw/zinc/95/71/06/517957106.db2.gz JOURZUOMGUGMTN-HXUWFJFHSA-N 1 0 356.470 2.692 50 30 FFEARO C=CCC[C@H](C[N@H+](C)Cc1cccnc1)Oc1cc(C(=O)NC)ccn1 ZINC000067841346 518719903 /nfs/dbraw/zinc/71/99/03/518719903.db2.gz KTIGNAYUWTUWQV-GOSISDBHSA-N 1 0 354.454 2.682 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccco1 ZINC000020057793 520659000 /nfs/dbraw/zinc/65/90/00/520659000.db2.gz XTSFDYOYFRWVTG-MRXNPFEDSA-N 1 0 358.394 2.793 50 30 FFEARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C[C@@H](C)O1 ZINC000252695392 524966550 /nfs/dbraw/zinc/96/65/50/524966550.db2.gz ZHQRYBIJOKTXQH-ALMNHBOISA-N 1 0 363.498 2.623 50 30 biogenic FFEARO C=C(C)COc1ccc(CN2CCOC3(CC[NH2+]CC3)C2)cc1OCC ZINC000823364515 999027846 /nfs/dbraw/zinc/02/78/46/999027846.db2.gz AOMJTPWFPNVIRK-UHFFFAOYSA-N 1 0 360.498 2.995 50 30 FFEARO Cc1c(CNC(=[NH2+])N2CCN(c3nccs3)CC2)oc2ccc(F)cc12 ZINC000095948352 1011516457 /nfs/dbraw/zinc/51/64/57/1011516457.db2.gz GGVLMHWLBWOETI-UHFFFAOYSA-N 1 0 373.457 2.974 50 30 FFEARO CCc1oc(C(=O)N2CCCn3nc(C#N)cc3C2)cc1C[NH+](CC)CC ZINC000055369017 1018394008 /nfs/dbraw/zinc/39/40/08/1018394008.db2.gz DZGZXLQAQGVTMR-UHFFFAOYSA-N 1 0 369.469 2.798 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCCSC)C2 ZINC000020137619 210157127 /nfs/dbraw/zinc/15/71/27/210157127.db2.gz MLHSZILASIWHDX-HNNXBMFYSA-N 1 0 362.543 2.505 50 30 FFEARO C=CCC(=O)N(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012093028 210140501 /nfs/dbraw/zinc/14/05/01/210140501.db2.gz VDRLUXCZQHHVAH-SFHVURJKSA-N 1 0 356.510 2.917 50 30 FFEARO C#CCN1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066686301 210101619 /nfs/dbraw/zinc/10/16/19/210101619.db2.gz PCYVENZFBHTEBA-MSOLQXFVSA-N 1 0 364.848 2.867 50 30 FFEARO COC(=O)C=C(CC(=O)OC)NNc1[nH+]cc(C(F)(F)F)cc1Cl ZINC000004002076 210502233 /nfs/dbraw/zinc/50/22/33/210502233.db2.gz JMHGXHNNGPJHEQ-UHFFFAOYSA-N 1 0 367.711 2.648 50 30 FFEARO N#Cc1ccc(N2CC[NH+](C[C@]3(c4cccc(F)c4)CCOC3)CC2)nc1 ZINC000020820929 507236040 /nfs/dbraw/zinc/23/60/40/507236040.db2.gz KKKTWGNNOVCTIR-OAQYLSRUSA-N 1 0 366.440 2.573 50 30 FFEARO CCc1cc(C#N)ccc1NC(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095502484 508191205 /nfs/dbraw/zinc/19/12/05/508191205.db2.gz KLFKYYMTTQTQIU-SFHVURJKSA-N 1 0 356.470 2.839 50 30 FFEARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)C[C@@H](C)O1 ZINC000229992485 509431544 /nfs/dbraw/zinc/43/15/44/509431544.db2.gz ZHQRYBIJOKTXQH-WIOPJUBLSA-N 1 0 363.498 2.623 50 30 biogenic FFEARO C=CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3n[nH]c(CC)n3)c2)C1 ZINC000299781524 511679313 /nfs/dbraw/zinc/67/93/13/511679313.db2.gz ULXYRXZBOBXAKJ-CQSZACIVSA-N 1 0 354.458 2.664 50 30 FFEARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1 ZINC000426412505 513932668 /nfs/dbraw/zinc/93/26/68/513932668.db2.gz WDGWLBWMYZOGCH-PMACEKPBSA-N 1 0 367.424 2.813 50 30 FFEARO C=CC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000584887183 518523637 /nfs/dbraw/zinc/52/36/37/518523637.db2.gz LXQDHZOIVSSHIM-MRXNPFEDSA-N 1 0 362.905 2.680 50 30 FFEARO C=CCN1CC2(CCC1=O)CC[NH+](CC(=O)N[C@H](C)c1ccccc1)CC2 ZINC000091585733 518860754 /nfs/dbraw/zinc/86/07/54/518860754.db2.gz KUCVKEBIAYJNOI-GOSISDBHSA-N 1 0 369.509 2.754 50 30 FFEARO N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1 ZINC000618257297 520967355 /nfs/dbraw/zinc/96/73/55/520967355.db2.gz UNDPHQIIQMHCMN-HUUCEWRRSA-N 1 0 363.808 2.971 50 30 FFEARO CC[C@H](Oc1ccccc1)C(=O)ONC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1 ZINC000004985695 522888336 /nfs/dbraw/zinc/88/83/36/522888336.db2.gz DAFLPVSEMJZGNO-INIZCTEOSA-N 1 0 357.366 2.810 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000017180061 526021062 /nfs/dbraw/zinc/02/10/62/526021062.db2.gz KHBCCFUZWYQXNU-KRWDZBQOSA-N 1 0 354.406 2.728 50 30 FFEARO CNC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000109351799 536428312 /nfs/dbraw/zinc/42/83/12/536428312.db2.gz DLWQTJRQSJLVDQ-SFHVURJKSA-N 1 0 366.440 2.816 50 30 FFEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)CCCOc1ccccc1 ZINC000004978747 526814306 /nfs/dbraw/zinc/81/43/06/526814306.db2.gz RORLZVCLOFBVIC-UHFFFAOYSA-N 1 0 357.366 2.812 50 30 FFEARO Cc1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000005048585 975708627 /nfs/dbraw/zinc/70/86/27/975708627.db2.gz IMYQYHAJJOLGIM-UHFFFAOYSA-N 1 0 357.366 2.649 50 30 FFEARO OCC#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001506398876 1059492079 /nfs/dbraw/zinc/49/20/79/1059492079.db2.gz YQPMPCLAGNRBLW-UHFFFAOYSA-N 1 0 352.453 2.877 50 30 FFEARO COc1ccc(-n2nc(C#N)c(N3CCC([NH+]4CCCCC4)CC3)n2)cc1 ZINC000008694294 210097858 /nfs/dbraw/zinc/09/78/58/210097858.db2.gz ZGDIVPQSXYCIAX-UHFFFAOYSA-N 1 0 366.469 2.602 50 30 FFEARO C=CCOc1ccc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)c(OCC=C)c1 ZINC000072158515 210065256 /nfs/dbraw/zinc/06/52/56/210065256.db2.gz TYQCHJRHEWBJII-UHFFFAOYSA-N 1 0 362.433 2.978 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000017147577 211180444 /nfs/dbraw/zinc/18/04/44/211180444.db2.gz SMTCNGSZCHWCLS-GOSISDBHSA-N 1 0 350.418 2.827 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1 ZINC000013570763 211041122 /nfs/dbraw/zinc/04/11/22/211041122.db2.gz XGUOTXZSMMTLDT-INIZCTEOSA-N 1 0 356.447 2.888 50 30 FFEARO Cc1ccc[n+](CC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000001882117 210373094 /nfs/dbraw/zinc/37/30/94/210373094.db2.gz SFVCFBPJNRJFDX-UHFFFAOYSA-N 1 0 357.389 2.966 50 30 FFEARO CC1=C(CC[NH+]2CCN(c3ncc(C#N)c(N)n3)CC2)C(C)(C)CCC1 ZINC000065380802 221206146 /nfs/dbraw/zinc/20/61/46/221206146.db2.gz SMEIKIOQLNLFEW-UHFFFAOYSA-N 1 0 354.502 2.969 50 30 FFEARO Cc1ccsc1[C@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)[NH+](C)C ZINC000067723996 221276484 /nfs/dbraw/zinc/27/64/84/221276484.db2.gz QYSNJRPVZPSFLA-HNNXBMFYSA-N 1 0 354.435 2.647 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1 ZINC000019582317 263374150 /nfs/dbraw/zinc/37/41/50/263374150.db2.gz AYANXDOUVHIXID-MRXNPFEDSA-N 1 0 371.462 2.673 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@H]4CCCCNC4=O)[C@H]3C[C@H]12 ZINC000004028700 506354582 /nfs/dbraw/zinc/35/45/82/506354582.db2.gz FNZXGPROFSMFFW-TXRDYQHVSA-N 1 0 360.498 2.559 50 30 biogenic FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@H]4CCCCNC4=O)[C@H]3C[C@@H]12 ZINC000004028699 506355567 /nfs/dbraw/zinc/35/55/67/506355567.db2.gz FNZXGPROFSMFFW-IGYPPAOUSA-N 1 0 360.498 2.559 50 30 biogenic FFEARO COc1cccc(CN2CCC([NH2+]Cc3cc(C#N)n(C)c3C)CC2)c1 ZINC000058060449 507368548 /nfs/dbraw/zinc/36/85/48/507368548.db2.gz HWERPHTYDQXEFS-UHFFFAOYSA-N 1 0 352.482 2.968 50 30 FFEARO CCn1cc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)cc1C#N ZINC000077438386 508315726 /nfs/dbraw/zinc/31/57/26/508315726.db2.gz NVVXEBXSUCCTDP-LEWJYISDSA-N 1 0 350.466 2.792 50 30 FFEARO C=CC[N@H+]1CC[C@H](CNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 ZINC000584901545 518530933 /nfs/dbraw/zinc/53/09/33/518530933.db2.gz CHOJPDUGCNKAGJ-OAHLLOKOSA-N 1 0 361.490 2.590 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CC1CC1)C2 ZINC000014731988 519287717 /nfs/dbraw/zinc/28/77/17/519287717.db2.gz SSFOOZPNKMDAQG-QGZVFWFLSA-N 1 0 356.514 2.942 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1F ZINC000019808031 521759120 /nfs/dbraw/zinc/75/91/20/521759120.db2.gz SVRHGSYHHZAPCX-MRXNPFEDSA-N 1 0 358.369 2.559 50 30 FFEARO C[C@]1(O)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000096137385 525311796 /nfs/dbraw/zinc/31/17/96/525311796.db2.gz WYRMBKUQFMGZPG-SFTDATJTSA-N 1 0 350.462 2.704 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020219552 525985824 /nfs/dbraw/zinc/98/58/24/525985824.db2.gz WAKFALAIJRJHID-KRWDZBQOSA-N 1 0 369.421 2.513 50 30 FFEARO N#CCCCS(=O)(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000079108146 526447871 /nfs/dbraw/zinc/44/78/71/526447871.db2.gz NBIJEXQTWSKGHR-UHFFFAOYSA-N 1 0 369.918 2.871 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCN4CCCC4=O)[C@H]3C[C@H]12 ZINC000012659925 220017165 /nfs/dbraw/zinc/01/71/65/220017165.db2.gz NWNADTATLWRPLF-ZPXGPAEQSA-N 1 0 374.525 2.903 50 30 biogenic FFEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(OC)c1 ZINC000020035650 220309775 /nfs/dbraw/zinc/30/97/75/220309775.db2.gz SSGQISAUXNQSNT-SFHVURJKSA-N 1 0 360.454 2.712 50 30 FFEARO C=CCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000021841904 220369163 /nfs/dbraw/zinc/36/91/63/220369163.db2.gz MRTSTIQKGBOQTI-UHFFFAOYSA-O 1 0 356.427 2.905 50 30 FFEARO Cc1cc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)c(C)n1-c1cccnc1 ZINC000071776329 221375137 /nfs/dbraw/zinc/37/51/37/221375137.db2.gz VUJBPRGTSLCQHG-CQSZACIVSA-N 1 0 358.449 2.821 50 30 FFEARO Cc1cc(N2CCOCC2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000072314443 136144263 /nfs/dbraw/zinc/14/42/63/136144263.db2.gz JGDJCSORVLFDJC-UHFFFAOYSA-N 1 0 373.501 2.531 50 30 FFEARO CC(C)[NH+](CC#CCNC(=O)c1cncc(Br)c1)C(C)C ZINC000075164422 221577125 /nfs/dbraw/zinc/57/71/25/221577125.db2.gz XUKHZDVNJAIUFZ-UHFFFAOYSA-N 1 0 352.276 2.696 50 30 FFEARO CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012469399 263371226 /nfs/dbraw/zinc/37/12/26/263371226.db2.gz GQJKKENNZPDUEK-GOSISDBHSA-N 1 0 370.493 2.804 50 30 FFEARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000072423270 507787862 /nfs/dbraw/zinc/78/78/62/507787862.db2.gz UJQOKGKUMRKTEG-LJQANCHMSA-N 1 0 364.497 2.662 50 30 FFEARO C=CC[C@]1(CO)CCC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)C1 ZINC000091288579 507979250 /nfs/dbraw/zinc/97/92/50/507979250.db2.gz YUKRNPIGKLSNFR-IBGZPJMESA-N 1 0 350.890 2.649 50 30 FFEARO CC(C)CN1CCc2nc[nH]c2C12CC[NH+](Cc1c[nH]c(C#N)c1)CC2 ZINC000091988161 508030261 /nfs/dbraw/zinc/03/02/61/508030261.db2.gz OXZSTTRFIZTDHA-UHFFFAOYSA-N 1 0 352.486 2.615 50 30 FFEARO N#Cc1ccc(CN2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000281916872 512009967 /nfs/dbraw/zinc/00/99/67/512009967.db2.gz GXPYAVPDBVGSFM-UHFFFAOYSA-N 1 0 352.482 2.776 50 30 FFEARO C=C(C)COc1ccc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cc1 ZINC000244884060 518612569 /nfs/dbraw/zinc/61/25/69/518612569.db2.gz YEKQMAYGSMAJJA-QWFCFKBJSA-N 1 0 358.482 2.510 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1 ZINC000019884962 524055772 /nfs/dbraw/zinc/05/57/72/524055772.db2.gz NDPNZZSIYWRFDE-INIZCTEOSA-N 1 0 371.462 2.673 50 30 FFEARO C[C@@H](NC(=O)CSc1nc2c(cc1C#N)C[N@H+](C)CC2)c1ccccc1 ZINC000019851697 525124909 /nfs/dbraw/zinc/12/49/09/525124909.db2.gz VLOAMKXOHBTEKY-CQSZACIVSA-N 1 0 366.490 2.911 50 30 FFEARO O=C(OCC#CC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001897913 526415540 /nfs/dbraw/zinc/41/55/40/526415540.db2.gz IKVAIDGHQFZMHS-UHFFFAOYSA-N 1 0 363.457 2.955 50 30 FFEARO CC(C)(C)CN1CCC[C@@]2(CC[N@H+](Cc3ccc(C#CCO)s3)C2)C1=O ZINC000012055285 988047219 /nfs/dbraw/zinc/04/72/19/988047219.db2.gz OHIVHXHLXMXTBH-NRFANRHFSA-N 1 0 374.550 2.953 50 30 FFEARO C#CCCC1(CCC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)N=N1 ZINC000952880146 1011005990 /nfs/dbraw/zinc/00/59/90/1011005990.db2.gz CJJPDILNQHPZQV-UHFFFAOYSA-N 1 0 353.470 2.728 50 30 FFEARO C#CCCC1(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)N=N1 ZINC000952881401 1011006133 /nfs/dbraw/zinc/00/61/33/1011006133.db2.gz LSMXLZSMSSYTLT-UHFFFAOYSA-N 1 0 363.465 2.948 50 30 FFEARO Cc1csc(N2CCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000058194033 221105178 /nfs/dbraw/zinc/10/51/78/221105178.db2.gz DQDMSMNCXUFZMO-UHFFFAOYSA-N 1 0 369.494 2.864 50 30 FFEARO Cc1ccc(C2(O)CC[NH+](Cc3ccc(C#CCCO)cc3)CC2)nc1 ZINC000067855566 221295772 /nfs/dbraw/zinc/29/57/72/221295772.db2.gz UOXXEMVROMFGCC-UHFFFAOYSA-N 1 0 350.462 2.608 50 30 FFEARO COc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1OC ZINC000067011069 132306198 /nfs/dbraw/zinc/30/61/98/132306198.db2.gz POCSZAQBBLIBEV-UHFFFAOYSA-N 1 0 352.438 2.729 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000019771721 263376599 /nfs/dbraw/zinc/37/65/99/263376599.db2.gz SXWMXAMCCURCEG-MRXNPFEDSA-N 1 0 350.846 2.966 50 30 FFEARO CCCOc1ccc(N2C(=O)C[C@H](SC(NCC)=[NH+]CC)C2=O)cc1 ZINC000002186926 506274579 /nfs/dbraw/zinc/27/45/79/506274579.db2.gz QUXFVJMXPDQKLR-HNNXBMFYSA-N 1 0 363.483 2.826 50 30 FFEARO C=CCNC(=O)c1sc2ncnc(NCC[NH+]3CCCCC3)c2c1C ZINC000014952903 507007856 /nfs/dbraw/zinc/00/78/56/507007856.db2.gz MKDFRWMZCSBWSL-UHFFFAOYSA-N 1 0 359.499 2.813 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000019927998 507205515 /nfs/dbraw/zinc/20/55/15/507205515.db2.gz LONDGNMUQDZLJD-MRXNPFEDSA-N 1 0 358.369 2.559 50 30 FFEARO OCC#Cc1ccc([C@@H]2c3[nH]cnc3CC[N@H+]2CCc2ccccc2)cc1 ZINC000072478663 507797092 /nfs/dbraw/zinc/79/70/92/507797092.db2.gz QRJVIAUBEHBDHV-HSZRJFAPSA-N 1 0 357.457 2.944 50 30 FFEARO COc1ccc(NC(=O)N2CC[NH+](C3CCSCC3)CC2)cc1C#N ZINC000095529218 508197103 /nfs/dbraw/zinc/19/71/03/508197103.db2.gz OGIDSTLUCBVAFW-UHFFFAOYSA-N 1 0 360.483 2.612 50 30 FFEARO Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000077519743 508327164 /nfs/dbraw/zinc/32/71/64/508327164.db2.gz DJTYBPHUAKRRTJ-UHFFFAOYSA-N 1 0 364.497 2.662 50 30 FFEARO CC(=NNC(=S)NCc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000254621993 509909279 /nfs/dbraw/zinc/90/92/79/509909279.db2.gz AMGVDZSXABYCEO-UHFFFAOYSA-N 1 0 368.506 2.912 50 30 FFEARO C=CC[NH2+]CC[C@H]1CCC(=O)N1Cc1cnn(-c2ccccc2OC)c1 ZINC000299779862 511677074 /nfs/dbraw/zinc/67/70/74/511677074.db2.gz QOMQPIDCHMZNBR-QGZVFWFLSA-N 1 0 354.454 2.538 50 30 FFEARO C=CC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000584887182 518523833 /nfs/dbraw/zinc/52/38/33/518523833.db2.gz LXQDHZOIVSSHIM-INIZCTEOSA-N 1 0 362.905 2.680 50 30 FFEARO C=CCOc1cccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(OC)c3)C2)c1 ZINC000092097941 519052893 /nfs/dbraw/zinc/05/28/93/519052893.db2.gz WBHFNKBZTBOFLL-UXHICEINSA-N 1 0 352.434 2.827 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC000014744629 519287109 /nfs/dbraw/zinc/28/71/09/519287109.db2.gz VNKTZWKWXYOGSR-OAHLLOKOSA-N 1 0 374.435 2.696 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000014543269 519287513 /nfs/dbraw/zinc/28/75/13/519287513.db2.gz XBGKQDNNKWPKCU-MRXNPFEDSA-N 1 0 368.481 2.935 50 30 FFEARO C[N@H+](CC#CCNS(=O)(=O)c1cccc(Cl)c1)Cc1ccccc1 ZINC000085470685 522417761 /nfs/dbraw/zinc/41/77/61/522417761.db2.gz IVKWRYPXGXFHAG-UHFFFAOYSA-N 1 0 362.882 2.754 50 30 FFEARO CCc1nnc(NC(=O)C[NH2+]CCCNc2ccc([N+](=O)[O-])cc2)s1 ZINC000019800606 522722093 /nfs/dbraw/zinc/72/20/93/522722093.db2.gz HDARFPGUIJIKEG-UHFFFAOYSA-N 1 0 364.431 2.689 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000019885087 524055371 /nfs/dbraw/zinc/05/53/71/524055371.db2.gz QUKTWGPXEZZHNN-QGZVFWFLSA-N 1 0 372.396 2.949 50 30 FFEARO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000024050440 526275667 /nfs/dbraw/zinc/27/56/67/526275667.db2.gz PAKYHYVWUIEUQT-UHFFFAOYSA-N 1 0 367.497 2.724 50 30 FFEARO Cc1c[nH+]c(C2CCOCC2)n1CC1CN(C(=O)c2cccc(C#N)c2)C1 ZINC000581807329 999948072 /nfs/dbraw/zinc/94/80/72/999948072.db2.gz DIVCEBOHZITOHG-UHFFFAOYSA-N 1 0 364.449 2.729 50 30 FFEARO O=C1C[N+]2(CCOCC2)C[C@H](Cn2c3ccccc3c3ccccc32)O1 ZINC000211070351 222633243 /nfs/dbraw/zinc/63/32/43/222633243.db2.gz VOCBAYBWFWEXOY-INIZCTEOSA-N 1 0 351.426 2.567 50 30 FFEARO CCCCCCCC(=O)N1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@H]1C ZINC000102992516 222317590 /nfs/dbraw/zinc/31/75/90/222317590.db2.gz HGMNSYXEYAVEMU-UYAOXDASSA-N 1 0 373.541 2.976 50 30 FFEARO C=CCN1CC[C@@]2(CN(Cc3ccc(F)cc3C)CC[N@H+]2C)CCC1=O ZINC000107670541 222398491 /nfs/dbraw/zinc/39/84/91/222398491.db2.gz WYNXWSSIADOVFV-OAQYLSRUSA-N 1 0 359.489 2.819 50 30 FFEARO Cn1nc(-c2c(C#N)c(N)nc3c2C[N@H+](C)CC3)c2c1cccc2Cl ZINC000072172805 507769987 /nfs/dbraw/zinc/76/99/87/507769987.db2.gz KCFGSZJAVMXNFA-UHFFFAOYSA-N 1 0 352.829 2.730 50 30 FFEARO C=CCC[C@@H](C[N@H+](C)Cc1cnccn1)Oc1ccnc(OC)c1C#N ZINC000072408440 507784469 /nfs/dbraw/zinc/78/44/69/507784469.db2.gz BJSSPFYWEJBPOA-INIZCTEOSA-N 1 0 353.426 2.597 50 30 FFEARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329460232 512051396 /nfs/dbraw/zinc/05/13/96/512051396.db2.gz RUXOLYFOYQXULG-SFHVURJKSA-N 1 0 353.470 2.778 50 30 FFEARO C[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000534581832 517952460 /nfs/dbraw/zinc/95/24/60/517952460.db2.gz GUAXKWCFSRBBNM-KRWDZBQOSA-N 1 0 354.498 2.984 50 30 FFEARO C=CCn1c(CC[NH+]2CCCCC2)nnc1Sc1ncccc1C#N ZINC000032907707 519177536 /nfs/dbraw/zinc/17/75/36/519177536.db2.gz VYZVALZSTKRRCW-UHFFFAOYSA-N 1 0 354.483 2.910 50 30 FFEARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccc(C#CCCO)cc2)CC1 ZINC000012596005 520457214 /nfs/dbraw/zinc/45/72/14/520457214.db2.gz BYVJCICOLUJJGJ-UHFFFAOYSA-N 1 0 373.493 2.602 50 30 FFEARO COc1ccccc1-c1cc[n+](CC(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000005676518 524269119 /nfs/dbraw/zinc/26/91/19/524269119.db2.gz KIEKTFIMERJOBN-UHFFFAOYSA-N 1 0 350.354 2.836 50 30 FFEARO Cc1nnc(CCCON=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000095454308 982764297 /nfs/dbraw/zinc/76/42/97/982764297.db2.gz LQAKZZDIZLYWHP-UHFFFAOYSA-N 1 0 357.458 2.634 50 30 FFEARO C[NH+](C)CCOc1ccc(/C=C/C(=O)N(CCC#N)CC(F)(F)F)cc1 ZINC000170600424 985089643 /nfs/dbraw/zinc/08/96/43/985089643.db2.gz XBGJSSAPOMFNTI-RMKNXTFCSA-N 1 0 369.387 2.945 50 30 FFEARO Cc1ccsc1[C@@H](Cn1ccc2nc(O)c(C#N)cc2c1=O)[NH+](C)C ZINC000067723992 221276283 /nfs/dbraw/zinc/27/62/83/221276283.db2.gz QYSNJRPVZPSFLA-OAHLLOKOSA-N 1 0 354.435 2.647 50 30 FFEARO CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000067790368 221285934 /nfs/dbraw/zinc/28/59/34/221285934.db2.gz BVSRIQZSOBFGLP-VQTJNVASSA-N 1 0 354.494 2.803 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000019582273 263374307 /nfs/dbraw/zinc/37/43/07/263374307.db2.gz PNSUOVGSXPPIAE-KRWDZBQOSA-N 1 0 354.406 2.810 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000019771719 263376012 /nfs/dbraw/zinc/37/60/12/263376012.db2.gz SXWMXAMCCURCEG-INIZCTEOSA-N 1 0 350.846 2.966 50 30 FFEARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000426683783 263656772 /nfs/dbraw/zinc/65/67/72/263656772.db2.gz IRGIZANPPOIZNJ-QFIPXVFZSA-N 1 0 363.461 2.754 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccccn4)[C@H]3[C@H]3O[C@@]312 ZINC000004000447 506355436 /nfs/dbraw/zinc/35/54/36/506355436.db2.gz HBHDWNFMXMZZLP-JGDKEGHWSA-N 1 0 356.466 2.697 50 30 biogenic FFEARO C#CCOc1cc(Br)c(C[NH2+][C@H](CC)CO)cc1OCC ZINC000004670866 506386288 /nfs/dbraw/zinc/38/62/88/506386288.db2.gz YYKFSMGTYODDCK-CYBMUJFWSA-N 1 0 356.260 2.720 50 30 FFEARO Cc1ccc(NC(=O)C2C(=O)[N+](c3ccc(C)cc3)=NN2CCC#N)cc1 ZINC000005274765 506434056 /nfs/dbraw/zinc/43/40/56/506434056.db2.gz QQTRCWKCYSECCE-UHFFFAOYSA-O 1 0 362.413 2.648 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000005445229 506442808 /nfs/dbraw/zinc/44/28/08/506442808.db2.gz DUVZXMJZBYTZER-GHNGSUTGSA-N 1 0 368.408 2.809 50 30 FFEARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000007263891 506547360 /nfs/dbraw/zinc/54/73/60/506547360.db2.gz BPYHFVZRMVKGMZ-UHFFFAOYSA-N 1 0 364.449 2.882 50 30 FFEARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000007374194 506558013 /nfs/dbraw/zinc/55/80/13/506558013.db2.gz DPJVSSOIHKNUCO-ICSRJNTNSA-N 1 0 367.474 2.863 50 30 FFEARO CC(C)[C@H]1C[N@H+](CCC(F)(F)F)C[C@@H]1NC(=O)c1ccc(C#N)nc1 ZINC000091493553 507989914 /nfs/dbraw/zinc/98/99/14/507989914.db2.gz YBKAMFWIMRQUFD-CABCVRRESA-N 1 0 354.376 2.592 50 30 FFEARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000095382128 508181356 /nfs/dbraw/zinc/18/13/56/508181356.db2.gz NRYPKDQDHRJZGW-UHFFFAOYSA-N 1 0 365.481 2.726 50 30 FFEARO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(O)CCOCC2)c1 ZINC000238146089 509827832 /nfs/dbraw/zinc/82/78/32/509827832.db2.gz ZNEUTGWIOZJKHQ-UHFFFAOYSA-N 1 0 352.434 2.768 50 30 FFEARO N#Cc1cccc(-c2cccc(C(=O)NCCC[N@H+]3CCC[C@H](O)C3)c2)c1 ZINC000426443084 513942524 /nfs/dbraw/zinc/94/25/24/513942524.db2.gz WWISNVVIGDZCFS-NRFANRHFSA-N 1 0 363.461 2.802 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1 ZINC000104241266 524053969 /nfs/dbraw/zinc/05/39/69/524053969.db2.gz ONWLOZGEDHMCRM-IBOXJLQUSA-N 1 0 371.462 2.517 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000019885085 524054790 /nfs/dbraw/zinc/05/47/90/524054790.db2.gz QUKTWGPXEZZHNN-KRWDZBQOSA-N 1 0 372.396 2.949 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccco1 ZINC000019996142 524055807 /nfs/dbraw/zinc/05/58/07/524055807.db2.gz XEOQMNWZSILFDU-OAHLLOKOSA-N 1 0 360.435 2.871 50 30 FFEARO CC(C)(O)C#Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)o1 ZINC000952985502 1011040292 /nfs/dbraw/zinc/04/02/92/1011040292.db2.gz BUOHTRVZYHOPLT-UHFFFAOYSA-N 1 0 358.482 2.883 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014530722 220125573 /nfs/dbraw/zinc/12/55/73/220125573.db2.gz PCMBEDZWMOIVKO-ZDUSSCGKSA-N 1 0 374.435 2.696 50 30 FFEARO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C(=O)NCC)C2)cc1OC ZINC000055199737 221061946 /nfs/dbraw/zinc/06/19/46/221061946.db2.gz LHSDXZPQVYFSRE-AWEZNQCLSA-N 1 0 352.862 2.871 50 30 FFEARO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1Cc2ccccc2C1 ZINC000058232282 221110229 /nfs/dbraw/zinc/11/02/29/221110229.db2.gz TVCWCPUYLQEUCH-UHFFFAOYSA-N 1 0 371.444 2.782 50 30 FFEARO Cc1ccc(C[N@@H+]2CCN(c3nc(C)ccc3C#N)C[C@H]2CCO)cc1 ZINC000106985207 132265958 /nfs/dbraw/zinc/26/59/58/132265958.db2.gz WUVFZUHIBGOTEL-HXUWFJFHSA-N 1 0 350.466 2.643 50 30 FFEARO C#C[C@](C)(CC)OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000012421437 132373390 /nfs/dbraw/zinc/37/33/90/132373390.db2.gz DJKCECRJBDPFIG-UYAOXDASSA-N 1 0 364.917 2.950 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000006813310 263347452 /nfs/dbraw/zinc/34/74/52/263347452.db2.gz YPSLDBYMTQYKRF-IDTYTIONSA-N 1 0 360.435 2.633 50 30 FFEARO N#Cc1cc([N+](=O)[O-])ccc1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000024107994 507392142 /nfs/dbraw/zinc/39/21/42/507392142.db2.gz MZCWICIZTTYGAH-UHFFFAOYSA-N 1 0 365.437 2.696 50 30 FFEARO Cc1ccc(OCC[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025699668 507524957 /nfs/dbraw/zinc/52/49/57/507524957.db2.gz UHKCOLQTRAHTLD-LJQANCHMSA-N 1 0 354.450 2.812 50 30 FFEARO C=CCc1cc(-c2c(C#N)c(N)nc3c2C[NH2+]CC3)cc(OC)c1OCC ZINC000072141789 507756613 /nfs/dbraw/zinc/75/66/13/507756613.db2.gz OZAQVSHTCUHNBW-UHFFFAOYSA-N 1 0 364.449 2.984 50 30 FFEARO COc1cc(-c2c(C#N)c(N)nc3c2C[N@@H+](C(C)C)CC3)cc2c1OCO2 ZINC000072167938 507767768 /nfs/dbraw/zinc/76/77/68/507767768.db2.gz UJNAOGJFCNEFQP-UHFFFAOYSA-N 1 0 366.421 2.706 50 30 FFEARO CC[NH+]1CCN([C@@H](C)CNc2oc(-c3ccccc3C)nc2C#N)CC1 ZINC000072238489 507771088 /nfs/dbraw/zinc/77/10/88/507771088.db2.gz ZMVIUDLZSYXWFJ-INIZCTEOSA-N 1 0 353.470 2.960 50 30 FFEARO C=CCC[C@H](C[N@H+](C)Cc1cnccn1)Oc1ccnc(OC)c1C#N ZINC000072408439 507784698 /nfs/dbraw/zinc/78/46/98/507784698.db2.gz BJSSPFYWEJBPOA-MRXNPFEDSA-N 1 0 353.426 2.597 50 30 FFEARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000095371444 508178520 /nfs/dbraw/zinc/17/85/20/508178520.db2.gz CIRZWQDCZMHHNC-IBGZPJMESA-N 1 0 365.481 2.726 50 30 FFEARO CN1CCC(CNc2ccc([N+](=O)[O-])cc2C#N)([NH+]2CCCCC2)CC1 ZINC000095962010 508200252 /nfs/dbraw/zinc/20/02/52/508200252.db2.gz XGBHBOYRZPOARS-UHFFFAOYSA-N 1 0 357.458 2.829 50 30 FFEARO CN(C)c1cccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000078675771 521750668 /nfs/dbraw/zinc/75/06/68/521750668.db2.gz QQRQXXJVUHQLMJ-UHFFFAOYSA-N 1 0 350.466 2.828 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1 ZINC000006787106 524054043 /nfs/dbraw/zinc/05/40/43/524054043.db2.gz DLBUKUVITCGQPP-IBOXJLQUSA-N 1 0 371.462 2.517 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005884945 525787418 /nfs/dbraw/zinc/78/74/18/525787418.db2.gz CYOHSRXHQOFAJA-GROYHEBESA-N 1 0 354.406 2.571 50 30 FFEARO CN(C)C(=O)C[C@H]1CCOC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000581785488 969421502 /nfs/dbraw/zinc/42/15/02/969421502.db2.gz CLQLIUKTNRSQMW-QGZVFWFLSA-N 1 0 355.482 2.798 50 30 FFEARO C=CCOc1cc(Cl)c(CN2CCC[C@](O)(C[NH+](C)C)C2)cc1OC ZINC000820491564 998399718 /nfs/dbraw/zinc/39/97/18/998399718.db2.gz RMPCZENVXWGRPH-IBGZPJMESA-N 1 0 368.905 2.802 50 30 FFEARO C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000015067035 1021786671 /nfs/dbraw/zinc/78/66/71/1021786671.db2.gz JZYPXWRJOYNOPW-HXUWFJFHSA-N 1 0 355.526 2.708 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCCOCC)C2 ZINC000014534843 220126317 /nfs/dbraw/zinc/12/63/17/220126317.db2.gz QCFHMEMRXLYZBX-KRWDZBQOSA-N 1 0 374.529 2.569 50 30 FFEARO C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCC)CC1 ZINC000055119958 221059974 /nfs/dbraw/zinc/05/99/74/221059974.db2.gz XZPUDRGYMNUOMG-MOPGFXCFSA-N 1 0 363.546 2.723 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](C)CC(OC)OC)[C@H]3C[C@H]12 ZINC000061695589 221134915 /nfs/dbraw/zinc/13/49/15/221134915.db2.gz YHZOBPBMQMCRTE-QRXRQMIZSA-N 1 0 351.487 2.851 50 30 biogenic FFEARO Cn1nc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)c2c1cccc2Cl ZINC000071762490 221369039 /nfs/dbraw/zinc/36/90/39/221369039.db2.gz MTFWVUGVOCPSEH-SECBINFHSA-N 1 0 352.829 2.559 50 30 FFEARO COc1ccc(-c2c(C#N)c(N)nc3c2C[C@H]([NH3+])CC3)c(Cl)c1OC ZINC000071762089 221369239 /nfs/dbraw/zinc/36/92/39/221369239.db2.gz HIYFVUDBAFHBGR-SECBINFHSA-N 1 0 358.829 2.689 50 30 FFEARO C=CCOc1nc2ccc(C)cc2cc1C[NH2+]CCCN1CCOCC1 ZINC000012040151 263368957 /nfs/dbraw/zinc/36/89/57/263368957.db2.gz HFYBXAGZJKYJPR-UHFFFAOYSA-N 1 0 355.482 2.920 50 30 FFEARO C[C@@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1CC[NH+](C)CC1 ZINC000072238729 507772019 /nfs/dbraw/zinc/77/20/19/507772019.db2.gz XVKHYQYRTRZEPF-ZDUSSCGKSA-N 1 0 359.861 2.914 50 30 FFEARO CN(CCn1cccn1)C([O-])=[NH+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000329920518 510877134 /nfs/dbraw/zinc/87/71/34/510877134.db2.gz DZRXYKHKHJOTQO-UHFFFAOYSA-N 1 0 373.423 2.534 50 30 FFEARO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000065512971 518267509 /nfs/dbraw/zinc/26/75/09/518267509.db2.gz DASJMYKBNWMKJB-INIZCTEOSA-N 1 0 359.901 2.628 50 30 FFEARO C=CCc1c(C)[nH+]c(N)nc1NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000095376819 519122905 /nfs/dbraw/zinc/12/29/05/519122905.db2.gz CFSVPVXVUWSSRN-UHFFFAOYSA-N 1 0 351.454 2.944 50 30 FFEARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3cc(F)cc(C#N)c3)cc2C1 ZINC000082136750 519723129 /nfs/dbraw/zinc/72/31/29/519723129.db2.gz JGEWNJWNQARZHK-UHFFFAOYSA-N 1 0 369.444 2.686 50 30 FFEARO COc1ccc(C(=[NH2+])NOC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 ZINC000005981870 523367460 /nfs/dbraw/zinc/36/74/60/523367460.db2.gz HSWFXSNFNCEMGO-VZUCSPMQSA-N 1 0 356.378 2.589 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000004427125 524054270 /nfs/dbraw/zinc/05/42/70/524054270.db2.gz WHVCJBLUQCCOBF-GROYHEBESA-N 1 0 372.396 2.792 50 30 FFEARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(C#N)CC1 ZINC000058247015 524175593 /nfs/dbraw/zinc/17/55/93/524175593.db2.gz OORQSIVRGZGRNO-GOSISDBHSA-N 1 0 369.513 2.532 50 30 FFEARO COc1cccc(CN2CCC[C@@H]([NH2+]Cc3cc(C#CCO)cs3)C2)c1 ZINC000020914301 525939625 /nfs/dbraw/zinc/93/96/25/525939625.db2.gz TVUHIEQYLWLVSL-LJQANCHMSA-N 1 0 370.518 2.855 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005885043 525980314 /nfs/dbraw/zinc/98/03/14/525980314.db2.gz CYOHSRXHQOFAJA-HVESIFNPSA-N 1 0 354.406 2.571 50 30 FFEARO N#Cc1cccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000047032988 570878748 /nfs/dbraw/zinc/87/87/48/570878748.db2.gz CPCQIRHHKRZFRB-IBGZPJMESA-N 1 0 355.463 2.674 50 30 FFEARO Cc1noc([C@]23CN(c4ccc(C#N)c(Cl)c4)C[C@H]2C[N@H+](C)CC3)n1 ZINC000685940727 571100556 /nfs/dbraw/zinc/10/05/56/571100556.db2.gz SGQZYCURIIGMIF-RDTXWAMCSA-N 1 0 357.845 2.613 50 30 FFEARO Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(-c2ccncc2)cc(=O)[nH]1 ZINC000022607749 220391011 /nfs/dbraw/zinc/39/10/11/220391011.db2.gz GTSILGOQGLKTST-UHFFFAOYSA-N 1 0 354.801 2.852 50 30 FFEARO N#CC(CC[NH+]1CCC(O)(CO)CC1)(c1ccccc1)c1ccccc1 ZINC000067756787 221281862 /nfs/dbraw/zinc/28/18/62/221281862.db2.gz HZRZMYHKHPRQAJ-UHFFFAOYSA-N 1 0 350.462 2.706 50 30 FFEARO C#CCOc1cc(Br)c(C[NH2+][C@@H](CC)CO)cc1OCC ZINC000004670865 506386574 /nfs/dbraw/zinc/38/65/74/506386574.db2.gz YYKFSMGTYODDCK-ZDUSSCGKSA-N 1 0 356.260 2.720 50 30 FFEARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000040088342 506464800 /nfs/dbraw/zinc/46/48/00/506464800.db2.gz AFULFGCSWGBZJM-PKOBYXMFSA-N 1 0 352.438 2.591 50 30 FFEARO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1F ZINC000025867677 507539147 /nfs/dbraw/zinc/53/91/47/507539147.db2.gz HHPMXTMXEVCQKA-QGZVFWFLSA-N 1 0 358.413 2.772 50 30 FFEARO C#CCOc1c(Cl)cc(C[NH2+]CCc2nncn2C(C)C)cc1OC ZINC000075092244 508081779 /nfs/dbraw/zinc/08/17/79/508081779.db2.gz UPKPQTUKULDORC-UHFFFAOYSA-N 1 0 362.861 2.865 50 30 FFEARO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(F)cc(Br)c1 ZINC000330606504 511001681 /nfs/dbraw/zinc/00/16/81/511001681.db2.gz KNYCAWHPDRMJCV-AWEZNQCLSA-N 1 0 359.239 2.740 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccco1)C2 ZINC000014741548 519287386 /nfs/dbraw/zinc/28/73/86/519287386.db2.gz ZUDXGAWRLFZJKG-OAHLLOKOSA-N 1 0 354.454 2.545 50 30 FFEARO CC[NH+](CC)CC(=O)N(C)[C@@](C#N)(c1ccc(OC)c(OC)c1)C(C)C ZINC000019891643 520568252 /nfs/dbraw/zinc/56/82/52/520568252.db2.gz HSZOKSIISLTYDO-HXUWFJFHSA-N 1 0 361.486 2.879 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000017163281 521753988 /nfs/dbraw/zinc/75/39/88/521753988.db2.gz HHTZHWDAZBEMLB-SFHVURJKSA-N 1 0 368.408 2.966 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1 ZINC000019927897 524055514 /nfs/dbraw/zinc/05/55/14/524055514.db2.gz AEIPTLWFWFNBJF-QGZVFWFLSA-N 1 0 354.406 2.810 50 30 FFEARO Cc1ccc(C(=O)N2CCC([NH2+]Cc3cc(C#CCO)cs3)CC2)cc1 ZINC000952989132 1011047059 /nfs/dbraw/zinc/04/70/59/1011047059.db2.gz SVNIOYJGAHGHFF-UHFFFAOYSA-N 1 0 368.502 2.795 50 30 FFEARO C=CCNC(=O)N(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012717091 220020864 /nfs/dbraw/zinc/02/08/64/220020864.db2.gz TUPGBKVTHBMWHS-GOSISDBHSA-N 1 0 371.525 2.710 50 30 FFEARO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012808095 220032863 /nfs/dbraw/zinc/03/28/63/220032863.db2.gz OTBPOSDEPPIZPW-HUUCEWRRSA-N 1 0 360.502 2.930 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccncc1 ZINC000019884093 220303213 /nfs/dbraw/zinc/30/32/13/220303213.db2.gz UWSGAXZROWZFHU-GOSISDBHSA-N 1 0 365.433 2.612 50 30 FFEARO N#Cc1cc2c(ccn(C[C@H](c3ccccc3)[NH+]3CCCCC3)c2=O)[nH]c1=O ZINC000067674764 221269729 /nfs/dbraw/zinc/26/97/29/221269729.db2.gz QGYYHDWYRMRLGL-HXUWFJFHSA-N 1 0 374.444 2.789 50 30 FFEARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000103781817 222344181 /nfs/dbraw/zinc/34/41/81/222344181.db2.gz DPJVSSOIHKNUCO-UYAOXDASSA-N 1 0 367.474 2.863 50 30 FFEARO CCCCCCCC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C ZINC000102992520 222318448 /nfs/dbraw/zinc/31/84/48/222318448.db2.gz HGMNSYXEYAVEMU-ICSRJNTNSA-N 1 0 373.541 2.976 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccccn4)[C@H]3[C@@H]3O[C@]312 ZINC000004000446 506352895 /nfs/dbraw/zinc/35/28/95/506352895.db2.gz HBHDWNFMXMZZLP-NWXZCIDWSA-N 1 0 356.466 2.697 50 30 biogenic FFEARO N#Cc1ccccc1NC(=O)CCN1CC[NH+](Cc2cccs2)CC1 ZINC000022931911 507321836 /nfs/dbraw/zinc/32/18/36/507321836.db2.gz DLEIGLFODKEUKN-UHFFFAOYSA-N 1 0 354.479 2.766 50 30 FFEARO COc1ccc([C@@H](CNC(=[NH2+])NCc2ccco2)N2CCCCC2)cc1 ZINC000058171475 507377950 /nfs/dbraw/zinc/37/79/50/507377950.db2.gz ODDSUPTXDNUFPO-LJQANCHMSA-N 1 0 356.470 2.920 50 30 FFEARO C=CCC1(OC)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2[nH]c(CC)nc2C)CC1 ZINC000072165866 507767639 /nfs/dbraw/zinc/76/76/39/507767639.db2.gz CPPFRYXGKWTRJR-IRXDYDNUSA-N 1 0 374.529 2.509 50 30 FFEARO C[N@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000031183524 507818068 /nfs/dbraw/zinc/81/80/68/507818068.db2.gz LWYBQGPNOROVKQ-CQSZACIVSA-N 1 0 357.435 2.720 50 30 FFEARO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)cc1 ZINC000091548212 507991966 /nfs/dbraw/zinc/99/19/66/507991966.db2.gz IFVRCWDLRFLTMZ-OAQYLSRUSA-N 1 0 353.466 2.552 50 30 FFEARO COc1ccc(N2C(=O)C[C@H](SC(=[NH2+])Nc3ccccc3)C2=O)cc1 ZINC000095532295 508196888 /nfs/dbraw/zinc/19/68/88/508196888.db2.gz NHDWRKZDZXTELC-HNNXBMFYSA-N 1 0 355.419 2.707 50 30 FFEARO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(O)cc3)CC2)cc1 ZINC000096004278 508202574 /nfs/dbraw/zinc/20/25/74/508202574.db2.gz ZRSOUQZKCACNDO-UHFFFAOYSA-N 1 0 363.461 2.931 50 30 FFEARO OCCC#Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000036385772 527530497 /nfs/dbraw/zinc/53/04/97/527530497.db2.gz RJBSYFJRXJNHQF-HSZRJFAPSA-N 1 0 370.537 2.622 50 30 FFEARO C=CCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012301325 988510897 /nfs/dbraw/zinc/51/08/97/988510897.db2.gz XROXEWWTRXNKIV-IBGZPJMESA-N 1 0 369.509 2.582 50 30 FFEARO C#CCCC1(CCC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)N=N1 ZINC000952881254 1011005905 /nfs/dbraw/zinc/00/59/05/1011005905.db2.gz LAXTZQFRTNYTTI-UHFFFAOYSA-N 1 0 350.466 2.654 50 30 FFEARO N#Cc1ccccc1CN1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055120511 205207742 /nfs/dbraw/zinc/20/77/42/205207742.db2.gz AUCDWFZOTQLYNR-FCHUYYIVSA-N 1 0 352.526 2.940 50 30 FFEARO C[NH+](C)CCn1nnc2cc(-c3noc(-c4ccc(C#N)cc4)n3)ccc21 ZINC000065254988 205330070 /nfs/dbraw/zinc/33/00/70/205330070.db2.gz ONCYPEMKHFDZQZ-UHFFFAOYSA-N 1 0 359.393 2.582 50 30 FFEARO Clc1ccc(-c2nc(/C=N/NN3CCOCC3)c3ccccn32)cc1 ZINC000007998461 206215059 /nfs/dbraw/zinc/21/50/59/206215059.db2.gz PBVIEWDDWUITAE-DEDYPNTBSA-N 1 0 355.829 2.825 50 30 FFEARO C#CC1(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000023118513 532988863 /nfs/dbraw/zinc/98/88/63/532988863.db2.gz UOQIGMZTLWHOOA-FQEVSTJZSA-N 1 0 360.473 2.661 50 30 in-man FFEARO CC[N@@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000009575824 506703054 /nfs/dbraw/zinc/70/30/54/506703054.db2.gz BLBMNRLNOMZQPN-HNNXBMFYSA-N 1 0 368.506 2.806 50 30 FFEARO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000058178268 507379850 /nfs/dbraw/zinc/37/98/50/507379850.db2.gz JZJAJDMRJQCERE-HNNXBMFYSA-N 1 0 351.406 2.697 50 30 FFEARO COc1ccc(NC(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2C)cc1C#N ZINC000299775124 511676310 /nfs/dbraw/zinc/67/63/10/511676310.db2.gz HGSJAGUBQZGTKN-GOSISDBHSA-N 1 0 350.422 2.745 50 30 FFEARO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101944 518311170 /nfs/dbraw/zinc/31/11/70/518311170.db2.gz MDYCCQRPHNAUII-HXUWFJFHSA-N 1 0 367.445 2.737 50 30 FFEARO C=CC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1cccc(OC)c1 ZINC000055090298 518782438 /nfs/dbraw/zinc/78/24/38/518782438.db2.gz QZFDXZPGDQXIBB-UHFFFAOYSA-N 1 0 360.479 2.792 50 30 FFEARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1CCO ZINC000104318215 519426054 /nfs/dbraw/zinc/42/60/54/519426054.db2.gz USUCEBPIGBWLCO-JOCHJYFZSA-N 1 0 370.537 2.644 50 30 FFEARO CC1CCN(C(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)CC1 ZINC000070036591 520979069 /nfs/dbraw/zinc/97/90/69/520979069.db2.gz IRASFPXMEWJOMC-UHFFFAOYSA-N 1 0 372.513 2.568 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 ZINC000019927879 524054630 /nfs/dbraw/zinc/05/46/30/524054630.db2.gz FNJLTWKSCXTBEN-GOSISDBHSA-N 1 0 365.433 2.612 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000020219553 525789239 /nfs/dbraw/zinc/78/92/39/525789239.db2.gz WAKFALAIJRJHID-QGZVFWFLSA-N 1 0 369.421 2.513 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000104187794 525942487 /nfs/dbraw/zinc/94/24/87/525942487.db2.gz AVEZYXIEEUYHLF-SELCWUDQSA-N 1 0 368.433 2.961 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000104200653 525979704 /nfs/dbraw/zinc/97/97/04/525979704.db2.gz BUINGMMZDZOTBR-GHNGSUTGSA-N 1 0 368.433 2.880 50 30 FFEARO CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]Cc2cn3ccccc3n2)C1 ZINC000329304721 971050546 /nfs/dbraw/zinc/05/05/46/971050546.db2.gz OLPYYVHMBRIWAF-INIZCTEOSA-N 1 0 352.442 2.844 50 30 FFEARO CC(C)(C)CN1CCC[C@]2(CC[N@H+](Cc3ccc(C#CCO)s3)C2)C1=O ZINC000012055289 988046927 /nfs/dbraw/zinc/04/69/27/988046927.db2.gz OHIVHXHLXMXTBH-OAQYLSRUSA-N 1 0 374.550 2.953 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccco1 ZINC000005576849 204216122 /nfs/dbraw/zinc/21/61/22/204216122.db2.gz FZYZWJLFABDXRG-IBOXJLQUSA-N 1 0 374.824 2.916 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]Cc1cccnc1 ZINC000003999469 206163912 /nfs/dbraw/zinc/16/39/12/206163912.db2.gz VQWYYIOVDKGSML-ZPMOIGASSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H]4CCCCNC4=O)[C@H]3C[C@@H]12 ZINC000012660030 206293449 /nfs/dbraw/zinc/29/34/49/206293449.db2.gz FNZXGPROFSMFFW-AWKGPRFZSA-N 1 0 360.498 2.559 50 30 biogenic FFEARO O=C1C[N+]2(CCOCC2)C[C@@H](Cn2c3ccccc3c3ccccc32)O1 ZINC000211070318 206340274 /nfs/dbraw/zinc/34/02/74/206340274.db2.gz VOCBAYBWFWEXOY-MRXNPFEDSA-N 1 0 351.426 2.567 50 30 FFEARO C=CCC[C@@H](CN1CCC[N@@H+](C)CC1)Oc1cc(N2CCCCC2)ncn1 ZINC000106717283 132373494 /nfs/dbraw/zinc/37/34/94/132373494.db2.gz IWEWIIQELOIEOC-IBGZPJMESA-N 1 0 373.545 2.818 50 30 FFEARO N#Cc1ccc(N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)nc1 ZINC000072151539 136142892 /nfs/dbraw/zinc/14/28/92/136142892.db2.gz RXGZGDJBHASLAA-FQEVSTJZSA-N 1 0 365.456 2.883 50 30 FFEARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000012561202 136151570 /nfs/dbraw/zinc/15/15/70/136151570.db2.gz HHMKWZCDBSDZBP-UHFFFAOYSA-N 1 0 370.478 2.501 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1 ZINC000019582314 263374428 /nfs/dbraw/zinc/37/44/28/263374428.db2.gz AYANXDOUVHIXID-INIZCTEOSA-N 1 0 371.462 2.673 50 30 FFEARO C=CC[NH2+]CC[C@H]1CCC(=O)N1Cc1cnn(-c2cccc(OC)c2)c1 ZINC000012330307 506852004 /nfs/dbraw/zinc/85/20/04/506852004.db2.gz YCTDXDFRUZPHNY-QGZVFWFLSA-N 1 0 354.454 2.538 50 30 FFEARO CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)o1 ZINC000012835305 506908136 /nfs/dbraw/zinc/90/81/36/506908136.db2.gz WTQHXQSHIDGXEU-JOCHJYFZSA-N 1 0 370.493 2.740 50 30 FFEARO CC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000019911568 507204714 /nfs/dbraw/zinc/20/47/14/507204714.db2.gz ZCSOYUYDEXNKRD-UHFFFAOYSA-N 1 0 360.527 2.855 50 30 FFEARO N#Cc1c(N)nc2c(c1-c1cccn1-c1ccc(Cl)cn1)C[NH2+]CC2 ZINC000072148346 507758795 /nfs/dbraw/zinc/75/87/95/507758795.db2.gz UYVKKPKVTCGJEV-UHFFFAOYSA-N 1 0 350.813 2.687 50 30 FFEARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSC(=[NH2+])NC1CCCC1 ZINC000029474175 507778990 /nfs/dbraw/zinc/77/89/90/507778990.db2.gz IHNYVEPOBADQRH-LBPRGKRZSA-N 1 0 360.483 2.741 50 30 FFEARO C=CCOc1ccc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)cc1Cl ZINC000095452886 508186426 /nfs/dbraw/zinc/18/64/26/508186426.db2.gz CKHDTXLJJFSTLR-INIZCTEOSA-N 1 0 352.862 2.665 50 30 FFEARO COCC[NH2+][C@@H](c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000096663697 508215377 /nfs/dbraw/zinc/21/53/77/508215377.db2.gz WWOFVAWCDSLEKV-SFTDATJTSA-N 1 0 363.461 2.884 50 30 FFEARO CC[C@H](C)NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000058213960 523820550 /nfs/dbraw/zinc/82/05/50/523820550.db2.gz GNTPYFFVEJLPJY-LBPRGKRZSA-N 1 0 358.408 2.745 50 30 FFEARO C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1CC=C(C)C ZINC000012578845 988330524 /nfs/dbraw/zinc/33/05/24/988330524.db2.gz ICKOIVISVWEHAC-GOSISDBHSA-N 1 0 359.514 2.657 50 30 FFEARO C=CCNC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000014974017 1021732931 /nfs/dbraw/zinc/73/29/31/1021732931.db2.gz YLCGNSFZSBMIAQ-QGZVFWFLSA-N 1 0 361.486 2.538 50 30 FFEARO COc1cc(C[NH2+]C(C)C)cc(I)c1OCC#N ZINC000004670862 204153196 /nfs/dbraw/zinc/15/31/96/204153196.db2.gz QOHDCFBNVSLDLY-UHFFFAOYSA-N 1 0 360.195 2.700 50 30 FFEARO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207119 506962809 /nfs/dbraw/zinc/96/28/09/506962809.db2.gz NAYTYNLIIXJKQZ-CABCVRRESA-N 1 0 367.424 2.867 50 30 FFEARO CC(C)[NH2+]C(c1ccc(N2CCCC2)cc1)=c1ccc(=C(C#N)C#N)cc1 ZINC000019287796 507163150 /nfs/dbraw/zinc/16/31/50/507163150.db2.gz HJDCJPMSDXYJTQ-UHFFFAOYSA-N 1 0 356.473 2.639 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000019997153 507207925 /nfs/dbraw/zinc/20/79/25/507207925.db2.gz UQPQGJHTQLYJMK-INIZCTEOSA-N 1 0 356.447 2.888 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCSCC3)C(=O)O[C@@H]1C2 ZINC000061992852 507648890 /nfs/dbraw/zinc/64/88/90/507648890.db2.gz ISRUYQDZFXREJX-GJWPJNNNSA-N 1 0 351.512 2.562 50 30 biogenic FFEARO COc1ccc2c(c1OC)Cc1c-2nc(N)c(C#N)c1[C@H]1CCC[NH2+]C1 ZINC000071748999 507710309 /nfs/dbraw/zinc/71/03/09/507710309.db2.gz BPRCLMNBIAAHLZ-NSHDSACASA-N 1 0 350.422 2.591 50 30 FFEARO CN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)C1=O ZINC000329054023 511973728 /nfs/dbraw/zinc/97/37/28/511973728.db2.gz AMDVKHOQMIMDBP-MRXNPFEDSA-N 1 0 367.852 2.673 50 30 FFEARO C=CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103571 518993868 /nfs/dbraw/zinc/99/38/68/518993868.db2.gz DCGOAUWTXWZBIN-LJQANCHMSA-N 1 0 355.434 2.981 50 30 FFEARO C=CCn1cc(C[NH2+]CCc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)n1 ZINC000067757017 519280120 /nfs/dbraw/zinc/28/01/20/519280120.db2.gz ZRTDJDKAFNJPFL-UHFFFAOYSA-N 1 0 357.483 2.625 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CC1CC1)C2 ZINC000014731986 519286178 /nfs/dbraw/zinc/28/61/78/519286178.db2.gz SSFOOZPNKMDAQG-KRWDZBQOSA-N 1 0 356.514 2.942 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1 ZINC000019884964 524055349 /nfs/dbraw/zinc/05/53/49/524055349.db2.gz NDPNZZSIYWRFDE-MRXNPFEDSA-N 1 0 371.462 2.673 50 30 FFEARO C[C@@H]1C[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)C[C@H](C)O1 ZINC000252695393 524965349 /nfs/dbraw/zinc/96/53/49/524965349.db2.gz ZHQRYBIJOKTXQH-YEPMRCTPSA-N 1 0 363.498 2.623 50 30 biogenic FFEARO O=C(NCc1ccccc1)C1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000216550626 526732395 /nfs/dbraw/zinc/73/23/95/526732395.db2.gz LDFLZHLZMURNSC-UHFFFAOYSA-N 1 0 368.502 2.620 50 30 FFEARO CC1CC[NH+]([C@H](CNC(=O)N2CC[C@](F)(CO)C2)c2cccs2)CC1 ZINC000328711673 729794942 /nfs/dbraw/zinc/79/49/42/729794942.db2.gz RLFJDYWNAVUJDU-CRAIPNDOSA-N 1 0 369.506 2.841 50 30 FFEARO CCN(C[C@H]1CC[N@H+](CC)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000952970789 740471869 /nfs/dbraw/zinc/47/18/69/740471869.db2.gz TWRAPBZBRHOMNB-AWEZNQCLSA-N 1 0 355.891 2.564 50 30 FFEARO COC[C@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000581801253 999945807 /nfs/dbraw/zinc/94/58/07/999945807.db2.gz UBTVRHAAZGTOGF-LJQANCHMSA-N 1 0 367.493 2.911 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1c(F)cccc1F)C2 ZINC000014530721 1021647040 /nfs/dbraw/zinc/64/70/40/1021647040.db2.gz PCMBEDZWMOIVKO-CYBMUJFWSA-N 1 0 374.435 2.696 50 30 FFEARO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022933675 204791274 /nfs/dbraw/zinc/79/12/74/204791274.db2.gz ZDOUHCGWTAFKOE-GOSISDBHSA-N 1 0 362.477 2.746 50 30 FFEARO COCCNC(=[NH2+])NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000058112162 205248516 /nfs/dbraw/zinc/24/85/16/205248516.db2.gz DOSFRVZAWVFDGV-UHFFFAOYSA-N 1 0 367.428 2.729 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000019902895 206328842 /nfs/dbraw/zinc/32/88/42/206328842.db2.gz YVLGHJZAWABXNK-SFHVURJKSA-N 1 0 368.408 2.966 50 30 FFEARO N#Cc1ccc(N2CCC([NH2+]Cc3nncn3C3CCCCC3)CC2)nc1 ZINC000095529875 132215012 /nfs/dbraw/zinc/21/50/12/132215012.db2.gz YGUWHHBMIXUABJ-UHFFFAOYSA-N 1 0 365.485 2.809 50 30 FFEARO CCCCCCCC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C ZINC000102992523 222317924 /nfs/dbraw/zinc/31/79/24/222317924.db2.gz HGMNSYXEYAVEMU-QUCCMNQESA-N 1 0 373.541 2.976 50 30 FFEARO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000033312376 506355476 /nfs/dbraw/zinc/35/54/76/506355476.db2.gz PWFPGAQYQDCVLB-INIZCTEOSA-N 1 0 361.511 2.691 50 30 FFEARO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000039935292 506455495 /nfs/dbraw/zinc/45/54/95/506455495.db2.gz FICIMXSCGGANEH-UHFFFAOYSA-N 1 0 366.440 2.844 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCOC(C)C)C2 ZINC000014540244 506994070 /nfs/dbraw/zinc/99/40/70/506994070.db2.gz WOUFIVVDVIJFTP-KRWDZBQOSA-N 1 0 374.529 2.567 50 30 FFEARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(C#Cc3cncnc3)cc1)C2 ZINC000015065308 507016162 /nfs/dbraw/zinc/01/61/62/507016162.db2.gz INFYYRHFHJKZKV-NRFANRHFSA-N 1 0 371.440 2.978 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000019997157 507207343 /nfs/dbraw/zinc/20/73/43/507207343.db2.gz UQPQGJHTQLYJMK-MRXNPFEDSA-N 1 0 356.447 2.888 50 30 FFEARO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cnc(NCCC)nc1)CC2 ZINC000091848762 508018931 /nfs/dbraw/zinc/01/89/31/508018931.db2.gz JBWKWVBKHARVAJ-UHFFFAOYSA-N 1 0 357.502 2.689 50 30 FFEARO COC(=O)c1ccccc1NC(=O)C[n+]1ccc(-c2cccs2)nc1 ZINC000328579925 511888697 /nfs/dbraw/zinc/88/86/97/511888697.db2.gz RAYPFOXDDBKADJ-FOCLMDBBSA-O 1 0 354.411 2.585 50 30 FFEARO C=CC[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3nc(C(C)C)no3)CC2)C1 ZINC000584901544 518530888 /nfs/dbraw/zinc/53/08/88/518530888.db2.gz CHOJPDUGCNKAGJ-HNNXBMFYSA-N 1 0 361.490 2.590 50 30 FFEARO CN(C)Cc1nnc(C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1C1CC1 ZINC000082145892 521937744 /nfs/dbraw/zinc/93/77/44/521937744.db2.gz VQSSBJQSYHMPOV-UHFFFAOYSA-N 1 0 364.497 2.926 50 30 FFEARO CCc1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004802559 524005181 /nfs/dbraw/zinc/00/51/81/524005181.db2.gz RRMQYIRIKRPGJD-UHFFFAOYSA-N 1 0 357.366 2.594 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)cc1 ZINC000104187792 525946171 /nfs/dbraw/zinc/94/61/71/525946171.db2.gz AVEZYXIEEUYHLF-GHNGSUTGSA-N 1 0 368.433 2.961 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000017180062 526020706 /nfs/dbraw/zinc/02/07/06/526020706.db2.gz KHBCCFUZWYQXNU-QGZVFWFLSA-N 1 0 354.406 2.728 50 30 FFEARO C=CCOc1cc(Cl)c(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1OC ZINC000820491565 998399347 /nfs/dbraw/zinc/39/93/47/998399347.db2.gz RMPCZENVXWGRPH-LJQANCHMSA-N 1 0 368.905 2.802 50 30 FFEARO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048355857 205161132 /nfs/dbraw/zinc/16/11/32/205161132.db2.gz WZCKSFKWFQXTLG-INIZCTEOSA-N 1 0 364.449 2.501 50 30 FFEARO CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)cc1 ZINC000104364096 206237995 /nfs/dbraw/zinc/23/79/95/206237995.db2.gz CUJJEJIKUSSUIX-OAQYLSRUSA-N 1 0 372.553 2.724 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccs1 ZINC000008771824 263357216 /nfs/dbraw/zinc/35/72/16/263357216.db2.gz UYRNCUNPWMIHHP-DPEHCCBOSA-N 1 0 360.435 2.715 50 30 FFEARO C=C(C)CNC(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019223726 507160659 /nfs/dbraw/zinc/16/06/59/507160659.db2.gz JUKOQQAKUKMTIS-UHFFFAOYSA-N 1 0 371.525 2.930 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccncc1 ZINC000019884091 507204900 /nfs/dbraw/zinc/20/49/00/507204900.db2.gz UWSGAXZROWZFHU-SFHVURJKSA-N 1 0 365.433 2.612 50 30 FFEARO C[NH+](C)Cc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)ccc1[O-] ZINC000071747846 507710976 /nfs/dbraw/zinc/71/09/76/507710976.db2.gz MWFZRQPEGBXABM-WMLDXEAASA-N 1 0 363.465 2.661 50 30 FFEARO COc1ccc([C@@H]2CN(Cc3ccc(C#CCO)s3)C[C@H]2[NH+](C)C)cc1 ZINC000095506702 508192146 /nfs/dbraw/zinc/19/21/46/508192146.db2.gz YOSOLZFVRVWBHB-LEWJYISDSA-N 1 0 370.518 2.630 50 30 FFEARO N#Cc1ccccc1N1CC[NH+](C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299796699 511684433 /nfs/dbraw/zinc/68/44/33/511684433.db2.gz OGKXEGRCTOBCFS-SFHVURJKSA-N 1 0 360.461 2.733 50 30 FFEARO CCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000329054303 511973923 /nfs/dbraw/zinc/97/39/23/511973923.db2.gz XJUXJSRPDWXPTP-KBAYOESNSA-N 1 0 367.497 2.880 50 30 FFEARO CO[C@]12CC[N@H+](Cc3ccccc3C#N)[C@H]1C[C@H](NC(=O)CSC)CC2 ZINC000534577753 517950410 /nfs/dbraw/zinc/95/04/10/517950410.db2.gz OCJMYNACXUXPHV-WSTZPKSXSA-N 1 0 373.522 2.549 50 30 FFEARO C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095782 518312090 /nfs/dbraw/zinc/31/20/90/518312090.db2.gz IECQWYQTXPOHCF-HXUWFJFHSA-N 1 0 369.461 2.717 50 30 FFEARO N#Cc1ccc(C[NH+]2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 ZINC000585500200 1001306141 /nfs/dbraw/zinc/30/61/41/1001306141.db2.gz DEZCGSBDBYBQQY-UHFFFAOYSA-N 1 0 362.477 2.906 50 30 FFEARO C=CCNC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000014974020 1021732552 /nfs/dbraw/zinc/73/25/52/1021732552.db2.gz YLCGNSFZSBMIAQ-KRWDZBQOSA-N 1 0 361.486 2.538 50 30 FFEARO OCC#Cc1ccc(C[N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cc1 ZINC001529105143 1062163470 /nfs/dbraw/zinc/16/34/70/1062163470.db2.gz WUPLHIRZOSAOLD-ZJSXRUAMSA-N 1 0 372.468 2.614 50 30 FFEARO Cc1c(C[N@@H+]2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cc(C#N)n1C ZINC001529119504 1062173087 /nfs/dbraw/zinc/17/30/87/1062173087.db2.gz XJFWZOXTKSYEBP-GCJKJVERSA-N 1 0 360.461 2.789 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 ZINC000005576898 204215823 /nfs/dbraw/zinc/21/58/23/204215823.db2.gz FZYZWJLFABDXRG-UYTDBDHRSA-N 1 0 374.824 2.916 50 30 FFEARO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NC1CC[NH+](C(C)C)CC1 ZINC000009417710 204367258 /nfs/dbraw/zinc/36/72/58/204367258.db2.gz LNNSOLWCUJCSNJ-HNNXBMFYSA-N 1 0 367.453 2.695 50 30 FFEARO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000053332876 205191307 /nfs/dbraw/zinc/19/13/07/205191307.db2.gz YSEDKLFURRHTDJ-SSDOTTSWSA-N 1 0 372.231 2.761 50 30 FFEARO Cc1cccc(NC(=O)C2CC[NH+](CCOc3ccccc3C#N)CC2)n1 ZINC000058163376 205252056 /nfs/dbraw/zinc/25/20/56/205252056.db2.gz MRDXTWZNOWYZRP-UHFFFAOYSA-N 1 0 364.449 2.991 50 30 FFEARO C[C@@H]1C[C@@](O)(C#CCOc2ccc(Br)cc2)[C@@H](C)C[N@@H+]1C ZINC000013540649 206304844 /nfs/dbraw/zinc/30/48/44/206304844.db2.gz BZEJSCRBMDUORW-VBQJREDUSA-N 1 0 352.272 2.923 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000006813304 263347508 /nfs/dbraw/zinc/34/75/08/263347508.db2.gz YPSLDBYMTQYKRF-DPEHCCBOSA-N 1 0 360.435 2.633 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1 ZINC000006812677 506510538 /nfs/dbraw/zinc/51/05/38/506510538.db2.gz DLBUKUVITCGQPP-UYTDBDHRSA-N 1 0 371.462 2.517 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccs1 ZINC000013733874 506955224 /nfs/dbraw/zinc/95/52/24/506955224.db2.gz IEENCCKORPEHJU-INIZCTEOSA-N 1 0 371.462 2.673 50 30 FFEARO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207120 506962235 /nfs/dbraw/zinc/96/22/35/506962235.db2.gz NAYTYNLIIXJKQZ-LSDHHAIUSA-N 1 0 367.424 2.867 50 30 FFEARO COc1ncc(-c2cc(-c3cc(C[NH+](C)C)cs3)nc(N)c2C#N)cn1 ZINC000071750014 507710677 /nfs/dbraw/zinc/71/06/77/507710677.db2.gz AVDSBRAZOFGTNG-UHFFFAOYSA-N 1 0 366.450 2.791 50 30 FFEARO C[C@H](CNc1oc(-c2ccc(Cl)cc2)nc1C#N)N1CC[NH+](C)CC1 ZINC000072238730 507771375 /nfs/dbraw/zinc/77/13/75/507771375.db2.gz XVKHYQYRTRZEPF-CYBMUJFWSA-N 1 0 359.861 2.914 50 30 FFEARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095363317 508177099 /nfs/dbraw/zinc/17/70/99/508177099.db2.gz OGCNDNJVEVBNIR-QGZVFWFLSA-N 1 0 366.469 2.728 50 30 FFEARO C[C@@]1(O)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000096153374 508208899 /nfs/dbraw/zinc/20/88/99/508208899.db2.gz WYRMBKUQFMGZPG-LEWJYISDSA-N 1 0 350.462 2.704 50 30 FFEARO O=C(Cn1c[n+](N=Cc2cccc(Br)c2)cn1)c1ccccc1 ZINC000252474984 509837570 /nfs/dbraw/zinc/83/75/70/509837570.db2.gz PYCNJJRPSVOKTD-UHFFFAOYSA-N 1 0 370.230 2.698 50 30 FFEARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000670462246 571356952 /nfs/dbraw/zinc/35/69/52/571356952.db2.gz BBXOKSNRECMDGO-HNNXBMFYSA-N 1 0 371.506 2.699 50 30 FFEARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1)NC1CC1 ZINC000012304070 988515880 /nfs/dbraw/zinc/51/58/80/988515880.db2.gz RSRNWPYOMJIYOG-LJQANCHMSA-N 1 0 354.494 2.691 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1ccccc1C)C2 ZINC000014540555 1021654811 /nfs/dbraw/zinc/65/48/11/1021654811.db2.gz IEOHTJPDLGNBOU-QGZVFWFLSA-N 1 0 352.482 2.726 50 30 FFEARO COc1cc2c(cc1-c1c(C#N)c(N)nc3c1[C@H]1CC[C@@H](C3)[N@@H+]1C)OCO2 ZINC000067742534 205387081 /nfs/dbraw/zinc/38/70/81/205387081.db2.gz DDAVQUHELZDRIH-IINYFYTJSA-N 1 0 364.405 2.631 50 30 FFEARO Cc1ccc(C[N@@H+]2CCN(c3nc(C)ccc3C#N)C[C@@H]2CCO)cc1 ZINC000072448322 136148247 /nfs/dbraw/zinc/14/82/47/136148247.db2.gz WUVFZUHIBGOTEL-FQEVSTJZSA-N 1 0 350.466 2.643 50 30 FFEARO C=CCN(C)c1nc(COCC)nc2c1CC[N@H+](Cc1ccoc1)CC2 ZINC000072421996 263423841 /nfs/dbraw/zinc/42/38/41/263423841.db2.gz KPKOFHAHDVYMPN-UHFFFAOYSA-N 1 0 356.470 2.829 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccc(F)cc1)C2 ZINC000020601619 507226947 /nfs/dbraw/zinc/22/69/47/507226947.db2.gz REYSGYAEADUOIZ-INIZCTEOSA-N 1 0 356.445 2.557 50 30 FFEARO C[C@@H](C(=O)N1CCCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406367 507254229 /nfs/dbraw/zinc/25/42/29/507254229.db2.gz MQUVHEDNGFTCBK-IBGZPJMESA-N 1 0 368.525 2.857 50 30 FFEARO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C(=O)NC(C)C)N(C(C)C)C1 ZINC000023363075 507346690 /nfs/dbraw/zinc/34/66/90/507346690.db2.gz PUCDVOFAUUANGL-MOPGFXCFSA-N 1 0 359.514 2.717 50 30 FFEARO N#Cc1cccc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)c1 ZINC000071779883 507715760 /nfs/dbraw/zinc/71/57/60/507715760.db2.gz LZUTWLVLJSXGQQ-UHFFFAOYSA-N 1 0 373.460 2.871 50 30 FFEARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccccc1C#N)C2 ZINC000091649958 507999573 /nfs/dbraw/zinc/99/95/73/507999573.db2.gz NPTIWVWGSPIMNZ-SJLPKXTDSA-N 1 0 359.495 2.609 50 30 FFEARO C=CCNC(=O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000083864129 518888007 /nfs/dbraw/zinc/88/80/07/518888007.db2.gz XQFNNWCROIQYLM-UHFFFAOYSA-N 1 0 369.431 2.904 50 30 FFEARO C=CC[NH2+]Cc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000016363961 518952444 /nfs/dbraw/zinc/95/24/44/518952444.db2.gz KZMYJKLOEWOPLB-UHFFFAOYSA-N 1 0 367.449 2.740 50 30 FFEARO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020805958 519147313 /nfs/dbraw/zinc/14/73/13/519147313.db2.gz JTFGCEVZUXFNIO-NRFANRHFSA-N 1 0 352.478 2.977 50 30 FFEARO C[N@H+](CC#CCNS(=O)(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000085470671 522417366 /nfs/dbraw/zinc/41/73/66/522417366.db2.gz LDKYKYCHCYJNJU-SAPNQHFASA-N 1 0 354.475 2.712 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000019884681 525984936 /nfs/dbraw/zinc/98/49/36/525984936.db2.gz FCESQUBFKOVFQR-INIZCTEOSA-N 1 0 358.394 2.711 50 30 FFEARO CC(=O)c1ccc[n+](CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000002646967 204048961 /nfs/dbraw/zinc/04/89/61/204048961.db2.gz QSTHHWBCRZNZRH-UHFFFAOYSA-O 1 0 352.183 2.717 50 30 FFEARO N#Cc1cccc(N2CC[NH+](Cc3ccc(Cn4cccn4)cc3)CC2)n1 ZINC000065491247 205354844 /nfs/dbraw/zinc/35/48/44/205354844.db2.gz LYRIFTMOLPSWAE-UHFFFAOYSA-N 1 0 358.449 2.520 50 30 FFEARO N#Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000107147291 206017293 /nfs/dbraw/zinc/01/72/93/206017293.db2.gz SRCAXDZYERMXLK-ICSRJNTNSA-N 1 0 364.449 2.563 50 30 FFEARO C[C@@H]1C[N@@H+](C[C@@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C[C@H](C)O1 ZINC000020412374 206331293 /nfs/dbraw/zinc/33/12/93/206331293.db2.gz RUZUDZSTUUEQRC-JYVAAXSDSA-N 1 0 363.498 2.621 50 30 biogenic FFEARO C#C[C@@](C)(CC)OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012421430 533276165 /nfs/dbraw/zinc/27/61/65/533276165.db2.gz UERUPUAVVXIPPP-OALUTQOASA-N 1 0 350.890 2.641 50 30 FFEARO Cc1ccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000013635619 506947717 /nfs/dbraw/zinc/94/77/17/506947717.db2.gz IOWLRQQXTGMXDY-UHFFFAOYSA-N 1 0 357.366 2.649 50 30 FFEARO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207121 506962679 /nfs/dbraw/zinc/96/26/79/506962679.db2.gz NAYTYNLIIXJKQZ-HUUCEWRRSA-N 1 0 367.424 2.867 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCOC(C)C)C2 ZINC000014540243 506993931 /nfs/dbraw/zinc/99/39/31/506993931.db2.gz WOUFIVVDVIJFTP-QGZVFWFLSA-N 1 0 374.529 2.567 50 30 FFEARO C=CC[NH+](CC=C)[C@@H](CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)C(C)C ZINC000060342932 507527787 /nfs/dbraw/zinc/52/77/87/507527787.db2.gz UBYVOHXGQIMPMT-INIZCTEOSA-N 1 0 372.517 2.985 50 30 FFEARO CC(C)(O)C#Cc1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[NH2+]2)s1 ZINC000071760229 507714767 /nfs/dbraw/zinc/71/47/67/507714767.db2.gz YZKXSKUCUDMTDY-SMDDNHRTSA-N 1 0 364.474 2.736 50 30 FFEARO CC(C)(C)OC(=O)NCCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000253420566 509880604 /nfs/dbraw/zinc/88/06/04/509880604.db2.gz YJTVUPGXYAHZRE-UHFFFAOYSA-N 1 0 358.486 2.985 50 30 FFEARO COc1ccc(NC(=O)NC[C@@H]2Cc3ccccc3C[N@@H+]2C)cc1C#N ZINC000299775125 511675916 /nfs/dbraw/zinc/67/59/16/511675916.db2.gz HGSJAGUBQZGTKN-SFHVURJKSA-N 1 0 350.422 2.745 50 30 FFEARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2cccc(-c3ccccc3C#N)c2)C1 ZINC000426621531 513997207 /nfs/dbraw/zinc/99/72/07/513997207.db2.gz BLLFIAXKLRIOIY-KRWDZBQOSA-N 1 0 363.461 2.875 50 30 FFEARO CO[C@H]1CN(C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 ZINC000575554433 518230625 /nfs/dbraw/zinc/23/06/25/518230625.db2.gz CSIBUHNAJUBOGK-VXKWHMMOSA-N 1 0 362.477 2.990 50 30 FFEARO CN(C)Cc1nnc(C2CC[NH+](Cc3ccccc3C#N)CC2)n1C1CC1 ZINC000082137073 521937881 /nfs/dbraw/zinc/93/78/81/521937881.db2.gz VWQULQWZIXWAPP-UHFFFAOYSA-N 1 0 364.497 2.926 50 30 FFEARO COc1ccccc1OCC#CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000095326481 524654039 /nfs/dbraw/zinc/65/40/39/524654039.db2.gz ZIIQDPHKGIWJSC-UHFFFAOYSA-N 1 0 350.462 2.895 50 30 FFEARO C=CCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012301323 988511478 /nfs/dbraw/zinc/51/14/78/988511478.db2.gz XROXEWWTRXNKIV-LJQANCHMSA-N 1 0 369.509 2.582 50 30 FFEARO Cc1c(C[N@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)cc(C#N)n1C ZINC001529197596 1062221119 /nfs/dbraw/zinc/22/11/19/1062221119.db2.gz SUXGGVHQWJDRKW-XMSQKQJNSA-N 1 0 360.461 2.789 50 30 FFEARO CC(C)NC(=O)CN1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000097032728 209168223 /nfs/dbraw/zinc/16/82/23/209168223.db2.gz MVJROUKKUUADTA-UHFFFAOYSA-N 1 0 368.525 2.533 50 30 FFEARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000007374197 207193490 /nfs/dbraw/zinc/19/34/90/207193490.db2.gz DPJVSSOIHKNUCO-QUCCMNQESA-N 1 0 367.474 2.863 50 30 FFEARO C=CCn1c2cc3c(cc2cc(CN2CC[NH+](CC)CC2)c1=O)CCC3 ZINC000019810080 507201648 /nfs/dbraw/zinc/20/16/48/507201648.db2.gz JMZXYMQEKFZAKN-UHFFFAOYSA-N 1 0 351.494 2.814 50 30 FFEARO N#Cc1cccnc1N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058226942 507390557 /nfs/dbraw/zinc/39/05/57/507390557.db2.gz KSQXQVPCMVTDPJ-UHFFFAOYSA-N 1 0 351.410 2.616 50 30 FFEARO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000036102390 518302618 /nfs/dbraw/zinc/30/26/18/518302618.db2.gz NGIHTQZDNQXDHH-FQEVSTJZSA-N 1 0 357.425 2.847 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccco1)C2 ZINC000014747633 519287665 /nfs/dbraw/zinc/28/76/65/519287665.db2.gz NNCJMYRTQQSCQX-MRXNPFEDSA-N 1 0 368.481 2.887 50 30 FFEARO C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCCOCC)C2 ZINC000014534842 1021653207 /nfs/dbraw/zinc/65/32/07/1021653207.db2.gz QCFHMEMRXLYZBX-QGZVFWFLSA-N 1 0 374.529 2.569 50 30 FFEARO N#Cc1ccc(N2CCC([NH2+]Cc3cnn(Cc4ccccc4)c3)CC2)nc1 ZINC000095502226 132212237 /nfs/dbraw/zinc/21/22/37/132212237.db2.gz RBYNCWNRLXPSTN-UHFFFAOYSA-N 1 0 372.476 2.957 50 30 FFEARO C=CCN(Cc1ccccn1)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065491957 132305835 /nfs/dbraw/zinc/30/58/35/132305835.db2.gz DZHSIJQGEHMJQN-UHFFFAOYSA-N 1 0 350.466 2.662 50 30 FFEARO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000095524353 209076482 /nfs/dbraw/zinc/07/64/82/209076482.db2.gz ZSPGVXPMCYOAKM-RBUKOAKNSA-N 1 0 364.449 2.786 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 ZINC000019582276 263374481 /nfs/dbraw/zinc/37/44/81/263374481.db2.gz PNSUOVGSXPPIAE-QGZVFWFLSA-N 1 0 354.406 2.810 50 30 FFEARO Cc1n(C)c(=O)c2ccccc2[n+]1CC(=O)N(c1ccccc1)C(C)C ZINC000002546724 506283635 /nfs/dbraw/zinc/28/36/35/506283635.db2.gz ZJEGQJVSZVXXGH-UHFFFAOYSA-N 1 0 350.442 2.576 50 30 FFEARO N#Cc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3)CC2)cc1 ZINC000002869355 506297905 /nfs/dbraw/zinc/29/79/05/506297905.db2.gz MWORXPYAKYWYTJ-UHFFFAOYSA-N 1 0 363.465 2.892 50 30 FFEARO CN1C(=O)N(c2ccccc2)[C@@H]([N+](=O)Cc2ccc3nonc3c2)C1(C)C ZINC000006050306 506465123 /nfs/dbraw/zinc/46/51/23/506465123.db2.gz OGEHXVNDVJTEML-UXHMZNKVSA-N 1 0 365.393 2.829 50 30 FFEARO O=C1C[C@H]([NH2+]Cc2ccc(C#CCCO)cc2)CN1C1CCCCCC1 ZINC000012703387 506889480 /nfs/dbraw/zinc/88/94/80/506889480.db2.gz CZDJNHGWJNPEPS-FQEVSTJZSA-N 1 0 354.494 2.834 50 30 FFEARO N#Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013000318 506923382 /nfs/dbraw/zinc/92/33/82/506923382.db2.gz GKBIRSHNXKSBHP-UHFFFAOYSA-N 1 0 355.463 2.501 50 30 FFEARO Cc1csc(C2=C(N)N(C3CC[NH+](Cc4ccccc4)CC3)CC2=O)n1 ZINC000013728337 506953669 /nfs/dbraw/zinc/95/36/69/506953669.db2.gz LQEIECJQOKYURM-UHFFFAOYSA-N 1 0 368.506 2.628 50 30 FFEARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(C#Cc3cncnc3)cc1)C2 ZINC000015065307 507015067 /nfs/dbraw/zinc/01/50/67/507015067.db2.gz INFYYRHFHJKZKV-OAQYLSRUSA-N 1 0 371.440 2.978 50 30 FFEARO CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCN1CC[NH2+]CC1 ZINC000022863693 507316854 /nfs/dbraw/zinc/31/68/54/507316854.db2.gz XZXYYACHWKVMLU-UHFFFAOYSA-N 1 0 362.481 2.547 50 30 FFEARO C[N@@H+]1CCCN(c2oc(-c3ccc(Br)o3)nc2C#N)CC1 ZINC000061997232 507648933 /nfs/dbraw/zinc/64/89/33/507648933.db2.gz NEEGNUOERIXMHJ-UHFFFAOYSA-N 1 0 351.204 2.711 50 30 FFEARO CCCSc1ncc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[NH2+]2)cn1 ZINC000071524438 507706038 /nfs/dbraw/zinc/70/60/38/507706038.db2.gz ITCLBSVSXFXDDK-WCQYABFASA-N 1 0 352.467 2.844 50 30 FFEARO COc1ccc2c(c1)[nH]nc2-c1c(C#N)c(N)nc2c1[C@H]1CC[C@@H](C2)[N@@H+]1C ZINC000071761035 507713560 /nfs/dbraw/zinc/71/35/60/507713560.db2.gz WVUXUJCQCCRXPB-MGPLVRAMSA-N 1 0 360.421 2.779 50 30 FFEARO COCCCOc1ccccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000072314451 507776043 /nfs/dbraw/zinc/77/60/43/507776043.db2.gz PAYGFQAZIPCDIS-UHFFFAOYSA-N 1 0 362.474 2.801 50 30 FFEARO CSCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3C)CC[C@H]21 ZINC000072476113 507795910 /nfs/dbraw/zinc/79/59/10/507795910.db2.gz DDXSTURULZREFK-QFBILLFUSA-N 1 0 374.554 2.771 50 30 FFEARO C[NH+](C)C[C@H]1COCCN(C(=O)c2cccc(-c3ccccc3C#N)c2)C1 ZINC000426621532 513997327 /nfs/dbraw/zinc/99/73/27/513997327.db2.gz BLLFIAXKLRIOIY-QGZVFWFLSA-N 1 0 363.461 2.875 50 30 FFEARO C=CCn1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccncc2)C3)c1C ZINC000091808343 519290628 /nfs/dbraw/zinc/29/06/28/519290628.db2.gz IDJVLSOBHHPNEW-YLJYHZDGSA-N 1 0 365.481 2.509 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000104228749 525982437 /nfs/dbraw/zinc/98/24/37/525982437.db2.gz UXGLPOUZYDPUOZ-UYTDBDHRSA-N 1 0 358.394 2.554 50 30 FFEARO CCC[NH+]1CCC(CC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000095382975 535350709 /nfs/dbraw/zinc/35/07/09/535350709.db2.gz WBFFJUJBZLMYGM-UHFFFAOYSA-N 1 0 354.498 2.719 50 30 FFEARO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000109351798 536427454 /nfs/dbraw/zinc/42/74/54/536427454.db2.gz DLWQTJRQSJLVDQ-GOSISDBHSA-N 1 0 366.440 2.816 50 30 FFEARO CC(C)N1CC[C@@H](NC(=[NH2+])SCc2ncc(-c3cccs3)o2)C1=O ZINC000095946489 728480362 /nfs/dbraw/zinc/48/03/62/728480362.db2.gz FFYVOFZYLDHQDW-LLVKDONJSA-N 1 0 364.496 2.960 50 30 FFEARO C[C@@H](C[NH+]1CCC(C(=O)NCCN2CCOCC2)CC1)c1ccccc1 ZINC000022241740 962496564 /nfs/dbraw/zinc/49/65/64/962496564.db2.gz URJQMSDYIBFZBX-SFHVURJKSA-N 1 0 359.514 2.791 50 30 FFEARO C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCCN1CC=C(C)C ZINC000012578837 988329541 /nfs/dbraw/zinc/32/95/41/988329541.db2.gz ICKOIVISVWEHAC-SFHVURJKSA-N 1 0 359.514 2.657 50 30 FFEARO N#Cc1ccc(NC(=O)c2ccc(C[N@H+]3CCCC[C@H]3CCO)cc2)cn1 ZINC000065380652 506290425 /nfs/dbraw/zinc/29/04/25/506290425.db2.gz XBOBAHYSOUABPL-FQEVSTJZSA-N 1 0 364.449 2.942 50 30 FFEARO CCCn1c(N)[n+](CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000003121702 506310938 /nfs/dbraw/zinc/31/09/38/506310938.db2.gz JVYODYUKBDPEMB-UHFFFAOYSA-O 1 0 354.430 2.821 50 30 FFEARO N#Cc1cc2c(ccn(C[C@@H](c3ccccc3)[NH+]3CCCCC3)c2=O)[nH]c1=O ZINC000067674765 506970877 /nfs/dbraw/zinc/97/08/77/506970877.db2.gz QGYYHDWYRMRLGL-FQEVSTJZSA-N 1 0 374.444 2.789 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000017163284 507116876 /nfs/dbraw/zinc/11/68/76/507116876.db2.gz HHTZHWDAZBEMLB-GOSISDBHSA-N 1 0 368.408 2.966 50 30 FFEARO C[NH+]1CCC(c2c(C#N)c(N)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000072128272 507753049 /nfs/dbraw/zinc/75/30/49/507753049.db2.gz IREMSYOUFXEQLU-UHFFFAOYSA-N 1 0 361.493 2.903 50 30 FFEARO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307726 508089168 /nfs/dbraw/zinc/08/91/68/508089168.db2.gz BIIFGPGPYIDUTL-QFIPXVFZSA-N 1 0 368.525 2.816 50 30 FFEARO C=CC[NH+]1CCC(Oc2ccc(C(=O)NCCOC)cc2Cl)CC1 ZINC000095505297 508191750 /nfs/dbraw/zinc/19/17/50/508191750.db2.gz LVWYRASTSKNNQN-UHFFFAOYSA-N 1 0 352.862 2.745 50 30 FFEARO C[C@@H](Cc1ccccc1)[n+]1c/c(=N\C(=[NH+]\Cc2ccccc2)N(C)C)o[n-]1 ZINC000137071307 508735797 /nfs/dbraw/zinc/73/57/97/508735797.db2.gz WDLGCTGLMFRNAI-HARPCAATSA-N 1 0 364.473 2.717 50 30 FFEARO CCC[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000426719848 514023175 /nfs/dbraw/zinc/02/31/75/514023175.db2.gz KJKVPCJCHKELQQ-SFHVURJKSA-N 1 0 369.513 2.512 50 30 FFEARO C=CC[N@H+]1CC[C@H](CNC(=O)N2CCC(Oc3ccccc3OC)CC2)C1 ZINC000584900817 518530967 /nfs/dbraw/zinc/53/09/67/518530967.db2.gz MNDGPEINSDTINB-QGZVFWFLSA-N 1 0 373.497 2.756 50 30 FFEARO COc1ccc(C(=O)C[n+]2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000004831590 523593298 /nfs/dbraw/zinc/59/32/98/523593298.db2.gz FHSDQEJXUGDEOJ-UHFFFAOYSA-N 1 0 352.164 2.536 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccc1 ZINC000006787091 524054087 /nfs/dbraw/zinc/05/40/87/524054087.db2.gz AJUROQXBJKEADA-GROYHEBESA-N 1 0 354.406 2.653 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000104200656 525785647 /nfs/dbraw/zinc/78/56/47/525785647.db2.gz BUINGMMZDZOTBR-SELCWUDQSA-N 1 0 368.433 2.880 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)o1 ZINC000013569845 526022222 /nfs/dbraw/zinc/02/22/22/526022222.db2.gz DXGUHZMWBMUKCE-QGZVFWFLSA-N 1 0 369.421 2.513 50 30 FFEARO N#Cc1ccc(NC(=O)CCN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000058178788 526649543 /nfs/dbraw/zinc/64/95/43/526649543.db2.gz CLJIBMNULOBNES-UHFFFAOYSA-N 1 0 368.506 2.809 50 30 FFEARO N#Cc1nnc2ccccc2c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000084587600 526799717 /nfs/dbraw/zinc/79/97/17/526799717.db2.gz RWFXTVGYEOBGRB-INIZCTEOSA-N 1 0 351.454 2.583 50 30 FFEARO OCC#Cc1csc(-c2cn([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000091412039 527521231 /nfs/dbraw/zinc/52/12/31/527521231.db2.gz NBOSNRRZAJKWBY-SFHVURJKSA-N 1 0 364.474 2.797 50 30 FFEARO OCCC#Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000020600339 527530632 /nfs/dbraw/zinc/53/06/32/527530632.db2.gz RJBSYFJRXJNHQF-QHCPKHFHSA-N 1 0 370.537 2.622 50 30 FFEARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(c2ccc(C#N)cn2)CC1 ZINC000095519822 535559649 /nfs/dbraw/zinc/55/96/49/535559649.db2.gz XRTBREZPKDBKKN-LJQANCHMSA-N 1 0 369.513 2.550 50 30 FFEARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(c2ncccc2C#N)CC1 ZINC000095497703 535561211 /nfs/dbraw/zinc/56/12/11/535561211.db2.gz UMERTMGQIPWFSB-LJQANCHMSA-N 1 0 369.513 2.550 50 30 FFEARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C#CCCO)cc2)C1)NC1CC1 ZINC000012304068 988515437 /nfs/dbraw/zinc/51/54/37/988515437.db2.gz RSRNWPYOMJIYOG-IBGZPJMESA-N 1 0 354.494 2.691 50 30 FFEARO CN(Cc1ccccc1C[NH+](C)C)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000952983096 1011036917 /nfs/dbraw/zinc/03/69/17/1011036917.db2.gz URXFFAXCXAJBDI-UHFFFAOYSA-N 1 0 354.450 2.736 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000102494129 209235868 /nfs/dbraw/zinc/23/58/68/209235868.db2.gz JOSBVQBWPCMIGR-GHNGSUTGSA-N 1 0 350.418 2.670 50 30 FFEARO C#CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000016577020 532989107 /nfs/dbraw/zinc/98/91/07/532989107.db2.gz NGJATZCHDYUODI-QGZVFWFLSA-N 1 0 350.890 2.560 50 30 FFEARO Cc1ccc(S(=O)(=O)NN=C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000035999919 208139640 /nfs/dbraw/zinc/13/96/40/208139640.db2.gz SVVGSQKKHVNDOL-UHFFFAOYSA-N 1 0 357.479 2.925 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]Cc1ccncc1 ZINC000004000073 506352659 /nfs/dbraw/zinc/35/26/59/506352659.db2.gz GSJFJISMQUTKQT-DOVHUEEUSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO C=CCOC[C@@H](O)C[N@H+](CC=C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146676 506399715 /nfs/dbraw/zinc/39/97/15/506399715.db2.gz VQDNPYBDEOEKFN-ROUUACIJSA-N 1 0 364.873 2.885 50 30 FFEARO Cc1cc(NC(=O)C2CC[NH+](CCOc3ccc(C#N)cc3)CC2)no1 ZINC000024243964 507399857 /nfs/dbraw/zinc/39/98/57/507399857.db2.gz KNSLUOKNTMGFOB-UHFFFAOYSA-N 1 0 354.410 2.584 50 30 FFEARO Cc1cc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)c(C)n1-c1cccnc1 ZINC000071776328 507715982 /nfs/dbraw/zinc/71/59/82/507715982.db2.gz VUJBPRGTSLCQHG-AWEZNQCLSA-N 1 0 358.449 2.821 50 30 FFEARO O=C(NCC[N@H+]1CC=CCC1)c1cc(Br)c2c(c1)OCCO2 ZINC000329122677 511987701 /nfs/dbraw/zinc/98/77/01/511987701.db2.gz WVECNZMQNLTOCN-UHFFFAOYSA-N 1 0 367.243 2.787 50 30 FFEARO COC(=O)c1ccccc1NC(=O)C[n+]1ccc(-c2cccs2)nc1 ZINC000002529452 522273839 /nfs/dbraw/zinc/27/38/39/522273839.db2.gz RAYPFOXDDBKADJ-UHFFFAOYSA-O 1 0 354.411 2.523 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccs1 ZINC000019927974 524055608 /nfs/dbraw/zinc/05/56/08/524055608.db2.gz QCOVMFKCDZTCKB-HNNXBMFYSA-N 1 0 360.435 2.871 50 30 FFEARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(c2ccc(C#N)cn2)CC1 ZINC000095519823 535599865 /nfs/dbraw/zinc/59/98/65/535599865.db2.gz XRTBREZPKDBKKN-IBGZPJMESA-N 1 0 369.513 2.550 50 30 FFEARO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000328854591 970690547 /nfs/dbraw/zinc/69/05/47/970690547.db2.gz WMIYCCZSTCVZNI-INIZCTEOSA-N 1 0 356.474 2.886 50 30 FFEARO N#Cc1cnc(NC(=O)c2cccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2)s1 ZINC000102224336 209233491 /nfs/dbraw/zinc/23/34/91/209233491.db2.gz PRLBYXNDOIJXAY-ZSHCYNCHSA-N 1 0 368.462 2.755 50 30 FFEARO CCCCCCn1c(=O)[nH]c2nc3cc([NH+]=CN(C)C)ccc3nc2c1=O ZINC000003911228 206995640 /nfs/dbraw/zinc/99/56/40/206995640.db2.gz WTWBEBKQLHRFJU-UDWIEESQSA-N 1 0 368.441 2.847 50 30 FFEARO N#C[C@H]1CCCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000426746121 263667191 /nfs/dbraw/zinc/66/71/91/263667191.db2.gz PPUPKKHALCADLL-HXUWFJFHSA-N 1 0 354.498 2.886 50 30 FFEARO C[NH+](C)CCNc1oc(COc2ccc(Br)cc2)nc1C#N ZINC000000934588 506240995 /nfs/dbraw/zinc/24/09/95/506240995.db2.gz USOHLXRIHMQDSN-UHFFFAOYSA-N 1 0 365.231 2.861 50 30 FFEARO COc1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)cc2c1OCO2 ZINC000067885794 507037947 /nfs/dbraw/zinc/03/79/47/507037947.db2.gz XEMDXADMSRORRV-SMDDNHRTSA-N 1 0 364.405 2.631 50 30 FFEARO C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000020908922 507237702 /nfs/dbraw/zinc/23/77/02/507237702.db2.gz OEQDMQOSRSZTPP-SFHVURJKSA-N 1 0 364.493 2.952 50 30 FFEARO N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1 ZINC000618257298 520968275 /nfs/dbraw/zinc/96/82/75/520968275.db2.gz UNDPHQIIQMHCMN-LSDHHAIUSA-N 1 0 363.808 2.971 50 30 FFEARO CCOCCC[NH+]=C(NCc1ccncc1)NCc1ccc(OC)cc1 ZINC000058245862 521677946 /nfs/dbraw/zinc/67/79/46/521677946.db2.gz WIHIUXQWBJOWIX-UHFFFAOYSA-N 1 0 356.470 2.752 50 30 FFEARO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)c(F)c1 ZINC000109351992 570916116 /nfs/dbraw/zinc/91/61/16/570916116.db2.gz PPMSZHSOWFBKKW-QGZVFWFLSA-N 1 0 352.413 2.555 50 30 FFEARO COC[C@@H]1C[N@@H+](C2CCC2)CC12CCN(C(=O)c1cccc(C#N)c1)CC2 ZINC000169782571 984967769 /nfs/dbraw/zinc/96/77/69/984967769.db2.gz HKUSOBDKBKHAME-IBGZPJMESA-N 1 0 367.493 2.911 50 30 FFEARO C#CCN1CC[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCC1=O ZINC000011912200 987718065 /nfs/dbraw/zinc/71/80/65/987718065.db2.gz LXDGASJDIBSJMZ-KRWDZBQOSA-N 1 0 350.466 2.757 50 30 FFEARO CCOC(=O)C1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000007812106 207208757 /nfs/dbraw/zinc/20/87/57/207208757.db2.gz QCVXZFNDANXMGP-UHFFFAOYSA-N 1 0 361.467 2.516 50 30 FFEARO COc1cc(/C=C/c2nc(C#N)c(NCC[NH+](C)C)o2)cc(OC)c1OC ZINC000008374226 207231428 /nfs/dbraw/zinc/23/14/28/207231428.db2.gz NAZFAJPLHZKISR-VOTSOKGWSA-N 1 0 372.425 2.716 50 30 FFEARO COc1cc(C)c(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000009375937 207269878 /nfs/dbraw/zinc/26/98/78/207269878.db2.gz WRWPSDZKDVPDKB-SFHVURJKSA-N 1 0 370.449 2.756 50 30 FFEARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000030673330 208004416 /nfs/dbraw/zinc/00/44/16/208004416.db2.gz NPSVZCXCVZJZOH-UHFFFAOYSA-N 1 0 365.433 2.962 50 30 FFEARO Cc1cc(S(=O)(=O)NCC#CC[NH+]2CCCC2)c(Cl)cc1Cl ZINC000075164726 208194799 /nfs/dbraw/zinc/19/47/99/208194799.db2.gz HNFOUTFVBQEZOK-UHFFFAOYSA-N 1 0 361.294 2.679 50 30 FFEARO C=CCc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019367350 263374867 /nfs/dbraw/zinc/37/48/67/263374867.db2.gz KUOVTMLCFKFKAI-QFIPXVFZSA-N 1 0 366.505 2.973 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000005799886 506458135 /nfs/dbraw/zinc/45/81/35/506458135.db2.gz DQIOMYMAAOJRRY-IBOXJLQUSA-N 1 0 356.447 2.731 50 30 FFEARO C#CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OCC ZINC000007127632 506537433 /nfs/dbraw/zinc/53/74/33/506537433.db2.gz SGPDWXBQXCWDTI-SFHVURJKSA-N 1 0 361.405 2.543 50 30 FFEARO COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccccn1)[N@H+](C)CC3)OCO2 ZINC000020111752 507212552 /nfs/dbraw/zinc/21/25/52/507212552.db2.gz YBIIDIGFVMXLJU-JTMDUIFQSA-N 1 0 355.394 2.617 50 30 biogenic FFEARO C[C@H]1CCc2ccccc2N1C(=O)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000075121315 508085048 /nfs/dbraw/zinc/08/50/48/508085048.db2.gz NGNYSJPDSJXDLH-HNNXBMFYSA-N 1 0 366.465 2.757 50 30 FFEARO COc1nccc(-c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)c1C#N ZINC000299778627 511677367 /nfs/dbraw/zinc/67/73/67/511677367.db2.gz QTVMFNCPWCHAIS-UHFFFAOYSA-N 1 0 364.449 2.845 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000005445172 524054256 /nfs/dbraw/zinc/05/42/56/524054256.db2.gz IGXXFLBLZNMKGM-HVESIFNPSA-N 1 0 354.406 2.653 50 30 FFEARO N#Cc1ccc(CSCC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000047773998 570930422 /nfs/dbraw/zinc/93/04/22/570930422.db2.gz QTFCFGPHTPLRJN-UHFFFAOYSA-N 1 0 352.463 2.535 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000102436625 209236405 /nfs/dbraw/zinc/23/64/05/209236405.db2.gz KNUKLYIWUIQCIY-IBOXJLQUSA-N 1 0 356.447 2.731 50 30 FFEARO C=CCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095370137 206692306 /nfs/dbraw/zinc/69/23/06/206692306.db2.gz YPFXGLGPWGCTJQ-ZLGUVYLKSA-N 1 0 354.450 2.770 50 30 FFEARO COc1cc(C)c(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000009375938 207270121 /nfs/dbraw/zinc/27/01/21/207270121.db2.gz WRWPSDZKDVPDKB-GOSISDBHSA-N 1 0 370.449 2.756 50 30 FFEARO CCCOc1ccc(N2C(=O)C[C@@H](SC(NCC)=[NH+]CC)C2=O)cc1 ZINC000013155037 207452442 /nfs/dbraw/zinc/45/24/42/207452442.db2.gz QUXFVJMXPDQKLR-OAHLLOKOSA-N 1 0 363.483 2.826 50 30 FFEARO C#C[C@](C)(CC)OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000012421435 132373449 /nfs/dbraw/zinc/37/34/49/132373449.db2.gz DJKCECRJBDPFIG-AZUAARDMSA-N 1 0 364.917 2.950 50 30 FFEARO Cc1nnc(N[C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)c(C#N)c1C ZINC000057142532 136128295 /nfs/dbraw/zinc/12/82/95/136128295.db2.gz NMUNEELEVLJQQU-INIZCTEOSA-N 1 0 350.470 2.890 50 30 FFEARO COc1ccc(C(=N)NOC(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000005013033 263337490 /nfs/dbraw/zinc/33/74/90/263337490.db2.gz YYOKQBFKUOANDD-UHFFFAOYSA-N 1 0 364.785 2.843 50 30 FFEARO C#CC1(OC[C@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCCCC1 ZINC000012419869 506861997 /nfs/dbraw/zinc/86/19/97/506861997.db2.gz GLYLDZJJRNDIKA-LJQANCHMSA-N 1 0 373.493 2.776 50 30 biogenic FFEARO O=C1C[C@@H]([NH2+]Cc2ccc(C#CCCO)cc2)CN1C1CCCCCC1 ZINC000012703392 506889312 /nfs/dbraw/zinc/88/93/12/506889312.db2.gz CZDJNHGWJNPEPS-HXUWFJFHSA-N 1 0 354.494 2.834 50 30 FFEARO C=CCNC(=O)N(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012717093 506891374 /nfs/dbraw/zinc/89/13/74/506891374.db2.gz TUPGBKVTHBMWHS-SFHVURJKSA-N 1 0 371.525 2.710 50 30 FFEARO C=C(C)COc1ccc2c(C)c(CCC(=O)NCC[NH+](C)C)c(=O)oc2c1 ZINC000012891944 506912263 /nfs/dbraw/zinc/91/22/63/506912263.db2.gz OHSXCKICSYJBAN-UHFFFAOYSA-N 1 0 372.465 2.667 50 30 biogenic FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019216349 507160411 /nfs/dbraw/zinc/16/04/11/507160411.db2.gz UBWHMWJFXWIAQG-QGZVFWFLSA-N 1 0 354.406 2.728 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000019582795 507182865 /nfs/dbraw/zinc/18/28/65/507182865.db2.gz SMTCNGSZCHWCLS-SFHVURJKSA-N 1 0 350.418 2.827 50 30 FFEARO C[C@@]1(C#N)CCCN(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000534590135 517956716 /nfs/dbraw/zinc/95/67/16/517956716.db2.gz JOURZUOMGUGMTN-FQEVSTJZSA-N 1 0 356.470 2.692 50 30 FFEARO C=CCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000034684230 518933743 /nfs/dbraw/zinc/93/37/43/518933743.db2.gz GUCWTUHRKPYPEL-UHFFFAOYSA-N 1 0 365.477 2.933 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000004427126 524054037 /nfs/dbraw/zinc/05/40/37/524054037.db2.gz WHVCJBLUQCCOBF-HVESIFNPSA-N 1 0 372.396 2.792 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000019882566 524054703 /nfs/dbraw/zinc/05/47/03/524054703.db2.gz OAHUCMQJANXRCR-KRWDZBQOSA-N 1 0 372.396 2.949 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 ZINC000019927876 524055071 /nfs/dbraw/zinc/05/50/71/524055071.db2.gz FNJLTWKSCXTBEN-SFHVURJKSA-N 1 0 365.433 2.612 50 30 FFEARO Cc1nc(C)c(CO[NH+]=C(N)c2ccc(N3CCC(O)CC3)cc2)s1 ZINC000072921398 526726556 /nfs/dbraw/zinc/72/65/56/526726556.db2.gz LLMXXPDVWVCWAR-UHFFFAOYSA-N 1 0 360.483 2.558 50 30 FFEARO C#CCN1CC[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCC1=O ZINC000011912199 987718171 /nfs/dbraw/zinc/71/81/71/987718171.db2.gz LXDGASJDIBSJMZ-QGZVFWFLSA-N 1 0 350.466 2.757 50 30 FFEARO CN(C)C(=O)C[C@@H]1CCOC2(CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000581785484 999944218 /nfs/dbraw/zinc/94/42/18/999944218.db2.gz CLQLIUKTNRSQMW-KRWDZBQOSA-N 1 0 355.482 2.798 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000102929615 209243733 /nfs/dbraw/zinc/24/37/33/209243733.db2.gz WKOMKVROLYVYLP-GHNGSUTGSA-N 1 0 368.408 2.809 50 30 FFEARO OCC#Cc1csc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000019792715 206747554 /nfs/dbraw/zinc/74/75/54/206747554.db2.gz QPMAXEJNRAJVKM-HXUWFJFHSA-N 1 0 366.530 2.813 50 30 FFEARO CC[NH+](CC)CC(=O)N(C)[C@](C#N)(c1ccc(OC)c(OC)c1)C(C)C ZINC000005591565 207108521 /nfs/dbraw/zinc/10/85/21/207108521.db2.gz HSZOKSIISLTYDO-FQEVSTJZSA-N 1 0 361.486 2.879 50 30 FFEARO C#CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000016577023 532988248 /nfs/dbraw/zinc/98/82/48/532988248.db2.gz NGJATZCHDYUODI-KRWDZBQOSA-N 1 0 350.890 2.560 50 30 FFEARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000095501822 209063235 /nfs/dbraw/zinc/06/32/35/209063235.db2.gz FBFVKHXRBGGPOW-UHFFFAOYSA-N 1 0 368.525 2.715 50 30 FFEARO C#C[C@@](C)(CC)OC[C@@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000012421434 533276813 /nfs/dbraw/zinc/27/68/13/533276813.db2.gz DJKCECRJBDPFIG-ICSRJNTNSA-N 1 0 364.917 2.950 50 30 FFEARO Cc1ccccc1NC(=O)[C@@H]1c2cccc[n+]2CC(=O)N1c1ccccc1O ZINC000005006451 132825938 /nfs/dbraw/zinc/82/59/38/132825938.db2.gz MDQBJPJQZHIIFN-NRFANRHFSA-O 1 0 374.420 2.715 50 30 FFEARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1 ZINC000013098047 506929011 /nfs/dbraw/zinc/92/90/11/506929011.db2.gz DPJVSSOIHKNUCO-AZUAARDMSA-N 1 0 367.474 2.863 50 30 FFEARO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000058202777 507385361 /nfs/dbraw/zinc/38/53/61/507385361.db2.gz IICDQBVKSWXOKZ-KRWDZBQOSA-N 1 0 354.410 2.504 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCSCC1 ZINC000061992851 507650313 /nfs/dbraw/zinc/65/03/13/507650313.db2.gz ISRUYQDZFXREJX-INRFCZIPSA-N 1 0 351.512 2.562 50 30 biogenic FFEARO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSC(=[NH2+])NC1CCCC1 ZINC000029474171 507779157 /nfs/dbraw/zinc/77/91/57/507779157.db2.gz IHNYVEPOBADQRH-GFCCVEGCSA-N 1 0 360.483 2.741 50 30 FFEARO C=CCN1CC[C@]2(CN(Cc3ccc(F)cc3C)CC[N@H+]2C)CCC1=O ZINC000091651570 507999560 /nfs/dbraw/zinc/99/95/60/507999560.db2.gz WYNXWSSIADOVFV-NRFANRHFSA-N 1 0 359.489 2.819 50 30 FFEARO COCCCN1C[C@@]2(CCC[N@H+](Cc3ccccc3C#N)C2)CCC1=O ZINC000077357415 508304948 /nfs/dbraw/zinc/30/49/48/508304948.db2.gz QVTARDKSAXXKCR-NRFANRHFSA-N 1 0 355.482 2.799 50 30 FFEARO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)CC1 ZINC000426730260 514026526 /nfs/dbraw/zinc/02/65/26/514026526.db2.gz BMLMPVPOZNHCFC-OAQYLSRUSA-N 1 0 374.488 2.687 50 30 FFEARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000575550339 518231766 /nfs/dbraw/zinc/23/17/66/518231766.db2.gz VMZCHIJQORRUSY-INIZCTEOSA-N 1 0 356.451 2.576 50 30 FFEARO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000065512972 518267282 /nfs/dbraw/zinc/26/72/82/518267282.db2.gz DASJMYKBNWMKJB-MRXNPFEDSA-N 1 0 359.901 2.628 50 30 FFEARO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)c1 ZINC000299760894 518621222 /nfs/dbraw/zinc/62/12/22/518621222.db2.gz RSGPPCAOGLXZJU-IBGZPJMESA-N 1 0 373.497 2.952 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1 ZINC000020233422 520661023 /nfs/dbraw/zinc/66/10/23/520661023.db2.gz IJXNAKPSZKRICO-KRWDZBQOSA-N 1 0 369.421 2.595 50 30 FFEARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1 ZINC000003477798 522022184 /nfs/dbraw/zinc/02/21/84/522022184.db2.gz MNMGFKKWTVCTCJ-SFHVURJKSA-N 1 0 350.422 2.571 50 30 FFEARO COc1ccc(CC(=[NH2+])NOC(=O)Cc2ccc(Cl)cc2)cc1OC ZINC000005720745 523864710 /nfs/dbraw/zinc/86/47/10/523864710.db2.gz VULZJYHNOAHRQE-UHFFFAOYSA-N 1 0 362.813 2.958 50 30 FFEARO COc1ccc(CC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1 ZINC000058179893 523916255 /nfs/dbraw/zinc/91/62/55/523916255.db2.gz PYNNXPAUTUBOSU-UHFFFAOYSA-N 1 0 368.481 2.606 50 30 FFEARO CN(C)C1(C#N)CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000225410926 524034925 /nfs/dbraw/zinc/03/49/25/524034925.db2.gz ARTFKQULZHRUMD-UHFFFAOYSA-N 1 0 368.525 2.735 50 30 FFEARO COc1ccc(C(=[NH2+])NOC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 ZINC000033411946 990283481 /nfs/dbraw/zinc/28/34/81/990283481.db2.gz HSWFXSNFNCEMGO-WZUFQYTHSA-N 1 0 356.378 2.589 50 30 FFEARO COc1ccc([C@@H](CNC=C2C(=O)Oc3ccccc3C2=O)[NH+](C)C)cc1 ZINC000824654571 999243198 /nfs/dbraw/zinc/24/31/98/999243198.db2.gz NPJOCTYPJCHBGQ-XUDLPTGHSA-N 1 0 366.417 2.573 50 30 FFEARO Cc1sc2[nH]c(CC[NH2+]Cc3cc(C#N)n(C)c3C)nc(=O)c2c1C ZINC000952869063 1011001345 /nfs/dbraw/zinc/00/13/45/1011001345.db2.gz HLHFZJGJOXWPNL-UHFFFAOYSA-N 1 0 355.467 2.865 50 30 FFEARO C#CCCC1(CCC(=O)N2CC[NH+](CCn3c(C)ccc3C)CC2)N=N1 ZINC000952881615 1011006028 /nfs/dbraw/zinc/00/60/28/1011006028.db2.gz MCAZGCDYFPPJJC-UHFFFAOYSA-N 1 0 355.486 2.605 50 30 FFEARO Cc1c(C[N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cc(C#N)n1C ZINC001529173514 1062202385 /nfs/dbraw/zinc/20/23/85/1062202385.db2.gz XJFWZOXTKSYEBP-XMSQKQJNSA-N 1 0 360.461 2.789 50 30 FFEARO CC(C)(O)C#Cc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000019607701 210156187 /nfs/dbraw/zinc/15/61/87/210156187.db2.gz PENUBTJXVUCTJO-QFIPXVFZSA-N 1 0 370.537 2.620 50 30 FFEARO C#CCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OCC ZINC000007127623 210107434 /nfs/dbraw/zinc/10/74/34/210107434.db2.gz SGPDWXBQXCWDTI-GOSISDBHSA-N 1 0 361.405 2.543 50 30 FFEARO C=CCOc1ccc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)cc1Cl ZINC000095452887 210085395 /nfs/dbraw/zinc/08/53/95/210085395.db2.gz CKHDTXLJJFSTLR-MRXNPFEDSA-N 1 0 352.862 2.665 50 30 FFEARO C=CCNc1nc(COCC)nc2c1CC[N@H+](Cc1ccncc1)CC2 ZINC000072474455 210066349 /nfs/dbraw/zinc/06/63/49/210066349.db2.gz GJHQHWOKIUZQAH-UHFFFAOYSA-N 1 0 353.470 2.607 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+]Cc3ccncc3)C(=O)O[C@@H]1C2 ZINC000012664318 220016963 /nfs/dbraw/zinc/01/69/63/220016963.db2.gz GSJFJISMQUTKQT-WHHPXKAQSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH3+])[C@H]2c2ccccc2)cc1 ZINC000019933714 211261731 /nfs/dbraw/zinc/26/17/31/211261731.db2.gz ZGAUCPXVQHRMIG-SFHVURJKSA-N 1 0 366.417 2.622 50 30 FFEARO N#Cc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071738546 221357055 /nfs/dbraw/zinc/35/70/55/221357055.db2.gz QZTGEGAWRNRQBW-IBGZPJMESA-N 1 0 366.509 2.513 50 30 FFEARO C[N@H+]1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3ccccc3OCCO)c12 ZINC000071750597 221362041 /nfs/dbraw/zinc/36/20/41/221362041.db2.gz QNZGMVRLMXFYPD-SUMWQHHRSA-N 1 0 364.449 2.655 50 30 FFEARO CCCn1nnc2cc(-c3cc(C4CC[NH2+]CC4)c(C#N)c(N)n3)ccc21 ZINC000071763675 221370492 /nfs/dbraw/zinc/37/04/92/221370492.db2.gz FRFCRMPKPCYWSO-UHFFFAOYSA-N 1 0 361.453 2.824 50 30 FFEARO COc1c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1C ZINC000109351935 132306567 /nfs/dbraw/zinc/30/65/67/132306567.db2.gz QVBALKVWAZDSCV-HNNXBMFYSA-N 1 0 357.433 2.507 50 30 FFEARO N#Cc1cc2c(nc1N1CC[N@H+](C3CCCC3)[C@H](CCO)C1)CCCC2 ZINC000072481213 136149743 /nfs/dbraw/zinc/14/97/43/136149743.db2.gz NFGOUZJULGFVJU-LJQANCHMSA-N 1 0 354.498 2.648 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1 ZINC000102430915 222297265 /nfs/dbraw/zinc/29/72/65/222297265.db2.gz YBXUBOBKPNKUHH-LFVOPCPISA-N 1 0 364.445 2.978 50 30 FFEARO COC[C@@H]1CCC[N@@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 ZINC000106588739 222386700 /nfs/dbraw/zinc/38/67/00/222386700.db2.gz REILRXPTAKYZGI-YLWQIKDNSA-N 1 0 363.498 2.624 50 30 biogenic FFEARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000032824346 506299823 /nfs/dbraw/zinc/29/98/23/506299823.db2.gz KNWIMOWNDWPWAT-UHFFFAOYSA-N 1 0 362.477 2.809 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000005445201 506442490 /nfs/dbraw/zinc/44/24/90/506442490.db2.gz DUVZXMJZBYTZER-SELCWUDQSA-N 1 0 368.408 2.809 50 30 FFEARO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012808103 506904543 /nfs/dbraw/zinc/90/45/43/506904543.db2.gz OTBPOSDEPPIZPW-GASCZTMLSA-N 1 0 360.502 2.930 50 30 FFEARO COc1ccc2[nH]nc(-c3c(C#N)c(N)nc4c3[C@H]3CC[C@@H](C4)[N@@H+]3C)c2c1 ZINC000071753341 507712448 /nfs/dbraw/zinc/71/24/48/507712448.db2.gz GAVSDSKSNCCWMR-MGPLVRAMSA-N 1 0 360.421 2.779 50 30 FFEARO N#Cc1ccc(N2CC[C@H](N3CCO[C@@]4(CCc5ccccc54)C3)C2=O)cc1 ZINC000245503843 509970169 /nfs/dbraw/zinc/97/01/69/509970169.db2.gz DGAJWHBPKOQVFX-GMAHTHKFSA-N 1 0 373.456 2.837 50 30 FFEARO C=CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(-c3n[nH]c(CC)n3)c2)C1 ZINC000299781500 511679544 /nfs/dbraw/zinc/67/95/44/511679544.db2.gz ULXYRXZBOBXAKJ-AWEZNQCLSA-N 1 0 354.458 2.664 50 30 FFEARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000426683782 514015638 /nfs/dbraw/zinc/01/56/38/514015638.db2.gz IRGIZANPPOIZNJ-JOCHJYFZSA-N 1 0 363.461 2.754 50 30 FFEARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000584897067 518527876 /nfs/dbraw/zinc/52/78/76/518527876.db2.gz VGQVUKJOMSNQPD-KRWDZBQOSA-N 1 0 369.513 2.510 50 30 FFEARO C=CCOc1ccccc1C[NH+]1CCC(c2nnc(CN(C)C)n2C)CC1 ZINC000077378512 519069825 /nfs/dbraw/zinc/06/98/25/519069825.db2.gz UBSNSGHJSXDKEQ-UHFFFAOYSA-N 1 0 369.513 2.821 50 30 FFEARO C[C@@H]1C[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)C[C@H](C)O1 ZINC000252693035 524967174 /nfs/dbraw/zinc/96/71/74/524967174.db2.gz ADDHZWLTSYXUMP-NNZVRKLNSA-N 1 0 363.498 2.621 50 30 biogenic FFEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000820608288 998465817 /nfs/dbraw/zinc/46/58/17/998465817.db2.gz IUOPPAWAJDYOLV-QGZVFWFLSA-N 1 0 362.539 2.557 50 30 FFEARO C=CC[NH+](CC=C)[C@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)C ZINC000024842368 210161628 /nfs/dbraw/zinc/16/16/28/210161628.db2.gz RAHGBFLLDRVSQU-OAHLLOKOSA-N 1 0 371.441 2.713 50 30 FFEARO C=CCNC(=O)C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000016695465 210146000 /nfs/dbraw/zinc/14/60/00/210146000.db2.gz CBCJJCWHJSLCIM-FQEVSTJZSA-N 1 0 354.450 2.879 50 30 FFEARO C=C(C)COc1c(OC)cccc1-c1c(C#N)c(N)nc2c1C[C@H]([NH3+])CC2 ZINC000071763983 210063632 /nfs/dbraw/zinc/06/36/32/210063632.db2.gz OFQODUKGMDDXJK-CYBMUJFWSA-N 1 0 364.449 2.982 50 30 FFEARO C[C@@H]1C[C@](O)(C#CCOc2ccc(Br)cc2)[C@@H](C)C[N@@H+]1C ZINC000013540653 220071870 /nfs/dbraw/zinc/07/18/70/220071870.db2.gz BZEJSCRBMDUORW-JJRVBVJISA-N 1 0 352.272 2.923 50 30 FFEARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C[C@@H](C)O1 ZINC000020412371 220326022 /nfs/dbraw/zinc/32/60/22/220326022.db2.gz RUZUDZSTUUEQRC-UMAXCMAPSA-N 1 0 363.498 2.621 50 30 biogenic FFEARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@@H]1CCO ZINC000019744208 263375568 /nfs/dbraw/zinc/37/55/68/263375568.db2.gz USUCEBPIGBWLCO-QFIPXVFZSA-N 1 0 370.537 2.644 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCCN4CCCC4=O)[C@H]3C[C@@H]12 ZINC000004028597 506354608 /nfs/dbraw/zinc/35/46/08/506354608.db2.gz NWNADTATLWRPLF-NFSXTHTRSA-N 1 0 374.525 2.903 50 30 biogenic FFEARO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000012808099 506904580 /nfs/dbraw/zinc/90/45/80/506904580.db2.gz OTBPOSDEPPIZPW-GJZGRUSLSA-N 1 0 360.502 2.930 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019216347 507160427 /nfs/dbraw/zinc/16/04/27/507160427.db2.gz UBWHMWJFXWIAQG-KRWDZBQOSA-N 1 0 354.406 2.728 50 30 FFEARO CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000029134842 507762019 /nfs/dbraw/zinc/76/20/19/507762019.db2.gz WKHJQIQDQXGUOD-UWJYYQICSA-N 1 0 363.413 2.648 50 30 in-vitro FFEARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000072423271 507787886 /nfs/dbraw/zinc/78/78/86/507787886.db2.gz UJQOKGKUMRKTEG-IBGZPJMESA-N 1 0 364.497 2.662 50 30 FFEARO Cn1nc(C2CC[NH+](Cc3ccccc3C#N)CC2)n(-c2ccccc2)c1=O ZINC000077100634 508277847 /nfs/dbraw/zinc/27/78/47/508277847.db2.gz ZOYRJNQMAVTIKX-UHFFFAOYSA-N 1 0 373.460 2.822 50 30 FFEARO C[C@H](Cc1ccccc1)[n+]1c/c(=N\C(=[NH+]\Cc2ccccc2)N(C)C)o[n-]1 ZINC000137071370 508735601 /nfs/dbraw/zinc/73/56/01/508735601.db2.gz WDLGCTGLMFRNAI-CXMPSTCBSA-N 1 0 364.473 2.717 50 30 FFEARO C=CCOC[C@H](O)C[N@H+](CC=C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169681804 509659216 /nfs/dbraw/zinc/65/92/16/509659216.db2.gz VQDNPYBDEOEKFN-MSOLQXFVSA-N 1 0 364.873 2.885 50 30 FFEARO C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000036095781 518305490 /nfs/dbraw/zinc/30/54/90/518305490.db2.gz IECQWYQTXPOHCF-FQEVSTJZSA-N 1 0 369.461 2.717 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccco1 ZINC000020057792 520661230 /nfs/dbraw/zinc/66/12/30/520661230.db2.gz XTSFDYOYFRWVTG-INIZCTEOSA-N 1 0 358.394 2.793 50 30 FFEARO C[N@H+](CC#CCNC(=O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000075165127 522417265 /nfs/dbraw/zinc/41/72/65/522417265.db2.gz YRWNOHNKZLJBOF-UHFFFAOYSA-N 1 0 356.853 2.970 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1 ZINC000104241271 524054147 /nfs/dbraw/zinc/05/41/47/524054147.db2.gz ONWLOZGEDHMCRM-UYTDBDHRSA-N 1 0 371.462 2.517 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccco1 ZINC000004427662 524054396 /nfs/dbraw/zinc/05/43/96/524054396.db2.gz CABLVWBFQVGBHF-DPEHCCBOSA-N 1 0 360.435 2.715 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1 ZINC000020230336 524055722 /nfs/dbraw/zinc/05/57/22/524055722.db2.gz UOSAEHLGRYTPCH-MRXNPFEDSA-N 1 0 371.462 2.673 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000004312054 525981192 /nfs/dbraw/zinc/98/11/92/525981192.db2.gz PXRNKTNOZLYXEO-GHNGSUTGSA-N 1 0 368.433 2.961 50 30 FFEARO N#Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1 ZINC000078954221 526720607 /nfs/dbraw/zinc/72/06/07/526720607.db2.gz SRCAXDZYERMXLK-UYAOXDASSA-N 1 0 364.449 2.563 50 30 FFEARO C=CC[N@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000670447971 571351874 /nfs/dbraw/zinc/35/18/74/571351874.db2.gz VCCVFGJFEMVAGT-INIZCTEOSA-N 1 0 355.486 2.563 50 30 FFEARO O=C1Oc2ccccc2C(=O)C1=CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000828327145 1011263667 /nfs/dbraw/zinc/26/36/67/1011263667.db2.gz CAPYXNGYOZZHRG-XMHGGMMESA-N 1 0 362.429 2.926 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000019220441 210155743 /nfs/dbraw/zinc/15/57/43/210155743.db2.gz RBTFGMMUSDZZPX-AWEZNQCLSA-N 1 0 358.511 2.522 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000019220436 210155364 /nfs/dbraw/zinc/15/53/64/210155364.db2.gz RBTFGMMUSDZZPX-CQSZACIVSA-N 1 0 358.511 2.522 50 30 FFEARO C#CC[NH+]1CCC(C(=O)Nc2ccc(I)cc2)CC1 ZINC000050028343 210061949 /nfs/dbraw/zinc/06/19/49/210061949.db2.gz KEBLXKLSPYMEQW-UHFFFAOYSA-N 1 0 368.218 2.575 50 30 FFEARO Cc1ccc(NC(=O)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)cc1C#N ZINC000299776817 210022075 /nfs/dbraw/zinc/02/20/75/210022075.db2.gz DFPYKSFNRTVWKF-FQEVSTJZSA-N 1 0 369.513 2.891 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4cccnc4)[C@H]3[C@@H]3O[C@]312 ZINC000012661428 220016614 /nfs/dbraw/zinc/01/66/14/220016614.db2.gz SDMKAJVSPMROMN-QIZAOCPXSA-N 1 0 356.466 2.697 50 30 biogenic FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+]Cc3ccccn3)C(=O)O[C@@H]1C2 ZINC000012664331 220016878 /nfs/dbraw/zinc/01/68/78/220016878.db2.gz BBNOGWGUFLDUNV-WHHPXKAQSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001829441 210370815 /nfs/dbraw/zinc/37/08/15/210370815.db2.gz IIQFVUBRZHJONC-UHFFFAOYSA-O 1 0 362.365 2.752 50 30 FFEARO CCCn1nnc2cc(-c3cc([C@@H]4CCC[NH2+]C4)c(C#N)c(N)n3)ccc21 ZINC000071753846 221363110 /nfs/dbraw/zinc/36/31/10/221363110.db2.gz HQDFVJQVGGUMPN-CQSZACIVSA-N 1 0 361.453 2.824 50 30 FFEARO Cc1cc(C)n(-c2ccc(F)cc2-c2c(C#N)c(N)nc3c2C[NH2+]CC3)n1 ZINC000072143853 221421842 /nfs/dbraw/zinc/42/18/42/221421842.db2.gz WNUUNYCPQNSPNF-UHFFFAOYSA-N 1 0 362.412 2.790 50 30 FFEARO CCN1CC[C@]2(CN(c3nc(C(C)C)ccc3C#N)CC[N@@H+]2C)CCC1=O ZINC000091650456 132202607 /nfs/dbraw/zinc/20/26/07/132202607.db2.gz GVNSTPPAAHDSIC-NRFANRHFSA-N 1 0 369.513 2.600 50 30 FFEARO N#Cc1cccnc1N1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000220432613 132275936 /nfs/dbraw/zinc/27/59/36/132275936.db2.gz OMASTLIZQTXTLZ-UHFFFAOYSA-N 1 0 367.522 2.933 50 30 FFEARO N#Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763246 506290919 /nfs/dbraw/zinc/29/09/19/506290919.db2.gz HJORAHFQQBLWIJ-INIZCTEOSA-N 1 0 355.463 2.952 50 30 FFEARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000012748222 506895342 /nfs/dbraw/zinc/89/53/42/506895342.db2.gz VTTSAGIBNNYKMH-UHFFFAOYSA-N 1 0 365.433 2.962 50 30 FFEARO N#Cc1c(N)nc2c(c1-c1c(-c3ccccc3)nc3ncccn31)C[NH2+]CC2 ZINC000072155906 507762309 /nfs/dbraw/zinc/76/23/09/507762309.db2.gz JTRGUXQIILXGCW-UHFFFAOYSA-N 1 0 367.416 2.558 50 30 FFEARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000091807569 508014283 /nfs/dbraw/zinc/01/42/83/508014283.db2.gz ALROMYASPGXDEX-UHFFFAOYSA-N 1 0 366.469 2.728 50 30 FFEARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000095371443 508178509 /nfs/dbraw/zinc/17/85/09/508178509.db2.gz CIRZWQDCZMHHNC-LJQANCHMSA-N 1 0 365.481 2.726 50 30 FFEARO COCCCN1C[C@]2(CCC[N@H+](Cc3ccccc3C#N)C2)CCC1=O ZINC000077357417 508305069 /nfs/dbraw/zinc/30/50/69/508305069.db2.gz QVTARDKSAXXKCR-OAQYLSRUSA-N 1 0 355.482 2.799 50 30 FFEARO N#Cc1ccccc1N1CC[NH+](C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299796690 511684510 /nfs/dbraw/zinc/68/45/10/511684510.db2.gz OGKXEGRCTOBCFS-GOSISDBHSA-N 1 0 360.461 2.733 50 30 FFEARO CCC[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1 ZINC000426719847 514023561 /nfs/dbraw/zinc/02/35/61/514023561.db2.gz KJKVPCJCHKELQQ-GOSISDBHSA-N 1 0 369.513 2.512 50 30 FFEARO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000078533112 518604793 /nfs/dbraw/zinc/60/47/93/518604793.db2.gz DSZLXKXXGKQDNJ-UHFFFAOYSA-N 1 0 361.486 2.586 50 30 FFEARO CC1CCN(C(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000069977806 520979552 /nfs/dbraw/zinc/97/95/52/520979552.db2.gz DKEPXDWDPLOKLE-UHFFFAOYSA-N 1 0 372.513 2.568 50 30 FFEARO COc1cc(-c2cc[n+](CC(=O)c3ccccc3)cn2)cc(OC)c1OC ZINC000005670103 521896135 /nfs/dbraw/zinc/89/61/35/521896135.db2.gz UGDAOYVXULVMMG-UHFFFAOYSA-N 1 0 365.409 2.945 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccc1 ZINC000019927894 524054641 /nfs/dbraw/zinc/05/46/41/524054641.db2.gz AEIPTLWFWFNBJF-KRWDZBQOSA-N 1 0 354.406 2.810 50 30 FFEARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)C[C@@H](C)O1 ZINC000252693033 524967303 /nfs/dbraw/zinc/96/73/03/524967303.db2.gz ADDHZWLTSYXUMP-LMHGZPEQSA-N 1 0 363.498 2.621 50 30 biogenic FFEARO COc1cccc(CN2CCC[C@H]([NH2+]Cc3cc(C#CCO)cs3)C2)c1 ZINC000020914310 525938659 /nfs/dbraw/zinc/93/86/59/525938659.db2.gz TVUHIEQYLWLVSL-IBGZPJMESA-N 1 0 370.518 2.855 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1 ZINC000102539783 525946062 /nfs/dbraw/zinc/94/60/62/525946062.db2.gz DRUSDLLIMDHMOA-GROYHEBESA-N 1 0 354.406 2.571 50 30 FFEARO CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000952976063 1011021044 /nfs/dbraw/zinc/02/10/44/1011021044.db2.gz PZDHBZVSLVFGKW-SFHVURJKSA-N 1 0 366.461 2.796 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000014746445 210146958 /nfs/dbraw/zinc/14/69/58/210146958.db2.gz ATGCSFABKDZHOK-INIZCTEOSA-N 1 0 374.435 2.696 50 30 FFEARO CC(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1Cl ZINC000019882052 211260251 /nfs/dbraw/zinc/26/02/51/211260251.db2.gz OTUQWINDZHDOBY-CQSZACIVSA-N 1 0 357.237 2.839 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000019582801 211237670 /nfs/dbraw/zinc/23/76/70/211237670.db2.gz HODXMUDWABFYCQ-GOSISDBHSA-N 1 0 368.408 2.966 50 30 FFEARO CCOC(=O)c1c2c(sc1NC(=O)C[NH+](CC)CC)/C(=N\O)CCC2 ZINC000013941940 211066199 /nfs/dbraw/zinc/06/61/99/211066199.db2.gz OLBAOWISRQKCOL-UNOMPAQXSA-N 1 0 367.471 2.720 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000102929613 222313476 /nfs/dbraw/zinc/31/34/76/222313476.db2.gz WKOMKVROLYVYLP-SELCWUDQSA-N 1 0 368.408 2.809 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccncc4)[C@H]3[C@@H]3O[C@]312 ZINC000003999460 506352762 /nfs/dbraw/zinc/35/27/62/506352762.db2.gz AHOMDMPWVTZNJU-NWXZCIDWSA-N 1 0 356.466 2.697 50 30 biogenic FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH2+]Cc1ccccn1 ZINC000004000088 506353210 /nfs/dbraw/zinc/35/32/10/506353210.db2.gz BBNOGWGUFLDUNV-DOVHUEEUSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO COc1ccc([C@H](CNC(=[NH2+])NCc2ccco2)N2CCCCC2)cc1 ZINC000058171476 507378744 /nfs/dbraw/zinc/37/87/44/507378744.db2.gz ODDSUPTXDNUFPO-IBGZPJMESA-N 1 0 356.470 2.920 50 30 FFEARO COc1ccccc1N1CC[NH+](CCOc2ccc(CC#N)cc2)CC1 ZINC000079055363 507929077 /nfs/dbraw/zinc/92/90/77/507929077.db2.gz DZBYNUOZHFTBRG-UHFFFAOYSA-N 1 0 351.450 2.962 50 30 FFEARO CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000076093776 508158133 /nfs/dbraw/zinc/15/81/33/508158133.db2.gz JWMSSXWFSFPMTJ-LEWJYISDSA-N 1 0 368.477 2.878 50 30 FFEARO N#Cc1ccc(O[C@@H]2CCOC[C@H]2[NH2+]C2CSCCSC2)cc1 ZINC000222400429 509315996 /nfs/dbraw/zinc/31/59/96/509315996.db2.gz TXGLIDILKOOFCF-IAGOWNOFSA-N 1 0 350.509 2.533 50 30 FFEARO C=C(C)COc1ccc(C(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cc1 ZINC000244884059 518613642 /nfs/dbraw/zinc/61/36/42/518613642.db2.gz YEKQMAYGSMAJJA-BJLQDIEVSA-N 1 0 358.482 2.510 50 30 FFEARO CC(C)(O)C#Cc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000036385592 519330516 /nfs/dbraw/zinc/33/05/16/519330516.db2.gz PENUBTJXVUCTJO-JOCHJYFZSA-N 1 0 370.537 2.620 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 ZINC000019938508 524055096 /nfs/dbraw/zinc/05/50/96/524055096.db2.gz LRUNKFUXPZSYRH-SFHVURJKSA-N 1 0 365.433 2.612 50 30 FFEARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(c2ncccc2C#N)CC1 ZINC000095497704 535598942 /nfs/dbraw/zinc/59/89/42/535598942.db2.gz UMERTMGQIPWFSB-IBGZPJMESA-N 1 0 369.513 2.550 50 30 FFEARO C=CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H](Cc2cc(C)n[nH]2)[C@H](O)C1 ZINC001529145057 1062186832 /nfs/dbraw/zinc/18/68/32/1062186832.db2.gz AJROBHYNGFSGIJ-RDTXWAMCSA-N 1 0 361.873 2.972 50 30 FFEARO C=CCN1CC[C@]2(CN(Cc3ccc(OCC)cc3)CC[N@@H+]2C)CCC1=O ZINC000091594326 210073195 /nfs/dbraw/zinc/07/31/95/210073195.db2.gz GRYCQYGXWPJWFO-QFIPXVFZSA-N 1 0 371.525 2.770 50 30 FFEARO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc2c(c1)OCCO2 ZINC000021472420 211314770 /nfs/dbraw/zinc/31/47/70/211314770.db2.gz GSWQIVCYYKQQIM-UHFFFAOYSA-N 1 0 357.435 2.852 50 30 FFEARO CC[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](CC)CC3)sc2C1 ZINC000020581427 211288270 /nfs/dbraw/zinc/28/82/70/211288270.db2.gz GJPILIXFOHTXOH-CQSZACIVSA-N 1 0 360.527 2.711 50 30 FFEARO C#C[C@@](C)(CC)OC[C@H](O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000012421436 533275993 /nfs/dbraw/zinc/27/59/93/533275993.db2.gz DJKCECRJBDPFIG-QUCCMNQESA-N 1 0 364.917 2.950 50 30 FFEARO Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095357982 132207571 /nfs/dbraw/zinc/20/75/71/132207571.db2.gz GBWHDVPWCJYCGP-QGZVFWFLSA-N 1 0 352.486 2.712 50 30 FFEARO N#Cc1ccc(N2CCC([NH2+]CCCn3ncc4ccccc43)CC2)nc1 ZINC000095520019 132214027 /nfs/dbraw/zinc/21/40/27/132214027.db2.gz JDOLUWAWKIGDBI-UHFFFAOYSA-N 1 0 360.465 2.952 50 30 FFEARO Cc1ccccc1NC(=O)[C@H]1c2cccc[n+]2CC(=O)N1c1ccccc1O ZINC000005006455 506414502 /nfs/dbraw/zinc/41/45/02/506414502.db2.gz MDQBJPJQZHIIFN-OAQYLSRUSA-O 1 0 374.420 2.715 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000005445217 506442509 /nfs/dbraw/zinc/44/25/09/506442509.db2.gz WHQPQRKVIJWIAD-GHNGSUTGSA-N 1 0 368.408 2.809 50 30 FFEARO C[NH+](C)CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 ZINC000006760644 506504157 /nfs/dbraw/zinc/50/41/57/506504157.db2.gz NORIEPAZPVDMGE-UHFFFAOYSA-N 1 0 360.527 2.712 50 30 FFEARO C=CCn1c(S[C@@H](CC)C(=O)NC(C)(C)C)nnc1C1CC[NH2+]CC1 ZINC000426424381 513937356 /nfs/dbraw/zinc/93/73/56/513937356.db2.gz QWXGZFHZMWWBFY-AWEZNQCLSA-N 1 0 365.547 2.717 50 30 FFEARO C=CCN1CC[C@]2(C[N@@H+](CCSc3ccccc3)CCN2C)CCC1=O ZINC000091769565 518869657 /nfs/dbraw/zinc/86/96/57/518869657.db2.gz KAALUDFUFCWHKB-NRFANRHFSA-N 1 0 373.566 2.963 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccs1 ZINC000020265630 521759083 /nfs/dbraw/zinc/75/90/83/521759083.db2.gz XTSCXTSFECSFGQ-AWEZNQCLSA-N 1 0 362.476 2.950 50 30 FFEARO C#CCOC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C ZINC000036104655 210169796 /nfs/dbraw/zinc/16/97/96/210169796.db2.gz NPWVBHVGODBTPL-HXUWFJFHSA-N 1 0 367.445 2.737 50 30 FFEARO C=CCN1CC[C@@]2(CN(C(=O)Nc3ccc(F)cc3)CC[N@H+]2C)CCC1=O ZINC000091320522 210073053 /nfs/dbraw/zinc/07/30/53/210073053.db2.gz DGMGNGNFYQOKTM-HXUWFJFHSA-N 1 0 374.460 2.542 50 30 FFEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH2+]Cc3cccnc3)C(=O)O[C@@H]1C2 ZINC000012659902 220017132 /nfs/dbraw/zinc/01/71/32/220017132.db2.gz VQWYYIOVDKGSML-WHHPXKAQSA-N 1 0 356.466 2.698 50 30 biogenic FFEARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)CC1 ZINC000058268487 212002363 /nfs/dbraw/zinc/00/23/63/212002363.db2.gz WBYMYJQKAUUAGG-IBGZPJMESA-N 1 0 355.482 2.908 50 30 FFEARO C[NH+](C)CCNc1nc(Cl)c(C#N)c2c1CN(Cc1ccccc1)CC2 ZINC000022864358 211368873 /nfs/dbraw/zinc/36/88/73/211368873.db2.gz DJMKKINNBJZVPY-UHFFFAOYSA-N 1 0 369.900 2.560 50 30 FFEARO C=CC[NH+](CC=C)[C@H](CNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)C(C)C ZINC000060342931 221129430 /nfs/dbraw/zinc/12/94/30/221129430.db2.gz UBYVOHXGQIMPMT-MRXNPFEDSA-N 1 0 372.517 2.985 50 30 FFEARO N#Cc1cc2n(n1)CCC[N@@H+](CCC(=O)Nc1nc3ccccc3s1)C2 ZINC000065383107 221207639 /nfs/dbraw/zinc/20/76/39/221207639.db2.gz GDXGQXSJQAROLL-UHFFFAOYSA-N 1 0 366.450 2.599 50 30 FFEARO C[N@H+](Cc1ccc(C(=O)Nc2ncc(C#N)s2)cc1)C1CCOCC1 ZINC000065451985 221220505 /nfs/dbraw/zinc/22/05/05/221220505.db2.gz JVHCCUKAQVMFMH-UHFFFAOYSA-N 1 0 356.451 2.878 50 30 FFEARO C[N@H+]1[C@@H]2CCC[C@H]1Cc1nc(N)c(C#N)c(-c3cccc(OCCO)c3)c12 ZINC000071752677 221364034 /nfs/dbraw/zinc/36/40/34/221364034.db2.gz JSNJXZMCHXAXME-KBXCAEBGSA-N 1 0 364.449 2.655 50 30 FFEARO N#Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095381915 221887089 /nfs/dbraw/zinc/88/70/89/221887089.db2.gz KLFNKLPEKYOEBI-BHDDXSALSA-N 1 0 373.456 2.966 50 30 FFEARO CC[C@H](CNC(=O)COc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445992 506254733 /nfs/dbraw/zinc/25/47/33/506254733.db2.gz LGPZQZOVNMMUDY-HXUWFJFHSA-N 1 0 363.461 2.890 50 30 FFEARO C=CCn1cc(C[NH2+]C23C[C@H]4C[C@@H](C2)CC(n2nnc(C)n2)(C4)C3)c(C)n1 ZINC000055199188 506697094 /nfs/dbraw/zinc/69/70/94/506697094.db2.gz KXYFUPVIINDMHY-FWYSVENZSA-N 1 0 367.501 2.510 50 30 FFEARO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048355858 507506751 /nfs/dbraw/zinc/50/67/51/507506751.db2.gz WZCKSFKWFQXTLG-MRXNPFEDSA-N 1 0 364.449 2.501 50 30 FFEARO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000111307724 508089197 /nfs/dbraw/zinc/08/91/97/508089197.db2.gz BIIFGPGPYIDUTL-JOCHJYFZSA-N 1 0 368.525 2.816 50 30 FFEARO N#Cc1cccnc1N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095371700 508179262 /nfs/dbraw/zinc/17/92/62/508179262.db2.gz MOYUBACTPFXIPG-IOMROCGXSA-N 1 0 374.444 2.749 50 30 FFEARO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCC1(F)F ZINC000329629728 512079469 /nfs/dbraw/zinc/07/94/69/512079469.db2.gz VEQLFQGHVPBDAH-BMFZPTHFSA-N 1 0 359.461 2.645 50 30 FFEARO C=CCOc1ccc(C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000019902051 519027270 /nfs/dbraw/zinc/02/72/70/519027270.db2.gz ZOWLVTPGYCKFJB-UHFFFAOYSA-N 1 0 371.525 2.932 50 30 FFEARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccccc1 ZINC000003477801 522083436 /nfs/dbraw/zinc/08/34/36/522083436.db2.gz MNMGFKKWTVCTCJ-GOSISDBHSA-N 1 0 350.422 2.571 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(F)cc1 ZINC000006787078 524054005 /nfs/dbraw/zinc/05/40/05/524054005.db2.gz ATTYYIZKDGMAHB-GROYHEBESA-N 1 0 372.396 2.792 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1 ZINC000017207201 524055386 /nfs/dbraw/zinc/05/53/86/524055386.db2.gz UOSAEHLGRYTPCH-INIZCTEOSA-N 1 0 371.462 2.673 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccn2)cc1 ZINC000017044844 526021569 /nfs/dbraw/zinc/02/15/69/526021569.db2.gz UQCAIOVPBMIOEJ-GOSISDBHSA-N 1 0 365.433 2.530 50 30 FFEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1 ZINC000017139043 526021980 /nfs/dbraw/zinc/02/19/80/526021980.db2.gz NTCQKYPCXHNSSY-GOSISDBHSA-N 1 0 365.433 2.530 50 30 FFEARO C/[NH+]=C(/c1ccccc1)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000006880583 1013036164 /nfs/dbraw/zinc/03/61/64/1013036164.db2.gz CTQAVJVYJRBYJO-DQRAZIAOSA-N 1 0 350.466 2.628 50 30 FFEARO C#C[C@@](C)(CC)OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012421432 533276230 /nfs/dbraw/zinc/27/62/30/533276230.db2.gz UERUPUAVVXIPPP-MOPGFXCFSA-N 1 0 350.890 2.641 50 30 FFEARO C#CC1(OC[C@@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCCCC1 ZINC000012419871 263370607 /nfs/dbraw/zinc/37/06/07/263370607.db2.gz GLYLDZJJRNDIKA-IBGZPJMESA-N 1 0 373.493 2.776 50 30 biogenic FFEARO Cc1cc[n+](CC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000003132942 506310711 /nfs/dbraw/zinc/31/07/11/506310711.db2.gz BJTIDPMNELSOFN-UHFFFAOYSA-N 1 0 357.389 2.966 50 30 FFEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH3+])[C@H]2c2cccs2)cc1 ZINC000025179814 507472779 /nfs/dbraw/zinc/47/27/79/507472779.db2.gz QDCJOHGZVOIIOL-INIZCTEOSA-N 1 0 372.446 2.684 50 30 FFEARO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000030565001 507810895 /nfs/dbraw/zinc/81/08/95/507810895.db2.gz XHWGFLNHJMHVQY-UHFFFAOYSA-N 1 0 359.518 2.584 50 30 FFEARO CN1C[C@@]2(CCC[N@H+](CCCC(=O)Nc3ccc(C#N)cc3)C2)CCC1=O ZINC000244748553 509869235 /nfs/dbraw/zinc/86/92/35/509869235.db2.gz OJNZZBOXPLLWTP-OAQYLSRUSA-N 1 0 368.481 2.611 50 30 FFEARO COC(=O)c1ccccc1NC(=O)C[n+]1ccc(-c2cccs2)nc1 ZINC000328579926 511888573 /nfs/dbraw/zinc/88/85/73/511888573.db2.gz RAYPFOXDDBKADJ-NXVVXOECSA-O 1 0 354.411 2.585 50 30 FFEARO COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1=O ZINC000329261265 512015898 /nfs/dbraw/zinc/01/58/98/512015898.db2.gz AVULQLCBFNAUGW-DOTOQJQBSA-N 1 0 371.481 2.963 50 30 FFEARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC000426477477 513952711 /nfs/dbraw/zinc/95/27/11/513952711.db2.gz YNRUCHFDQBNLPG-SFHVURJKSA-N 1 0 363.461 2.923 50 30 FFEARO C=C(C)COc1cccc(NC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)c1 ZINC000299760897 518620810 /nfs/dbraw/zinc/62/08/10/518620810.db2.gz RSGPPCAOGLXZJU-LJQANCHMSA-N 1 0 373.497 2.952 50 30 FFEARO C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103573 518988609 /nfs/dbraw/zinc/98/86/09/518988609.db2.gz DCGOAUWTXWZBIN-IBGZPJMESA-N 1 0 355.434 2.981 50 30 FFEARO CC[C@@H](Oc1ccccc1)C(=O)ONC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1 ZINC000004985696 523056701 /nfs/dbraw/zinc/05/67/01/523056701.db2.gz DAFLPVSEMJZGNO-MRXNPFEDSA-N 1 0 357.366 2.810 50 30 FFEARO COc1cccc(N2C(=O)C[C@H](SC(=[NH2+])Nc3ccccc3)C2=O)c1 ZINC000002490032 526141127 /nfs/dbraw/zinc/14/11/27/526141127.db2.gz CSAMBJRMQUYYSQ-HNNXBMFYSA-N 1 0 355.419 2.707 50 30 FFEARO COc1cccc(NC(=O)NCC#CC[N@H+](C)Cc2ccccc2)c1OC ZINC000075165165 526191734 /nfs/dbraw/zinc/19/17/34/526191734.db2.gz BVVRLCIBHUVKNW-UHFFFAOYSA-N 1 0 367.449 2.961 50 30 FFEARO N#Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000078954226 526720945 /nfs/dbraw/zinc/72/09/45/526720945.db2.gz SRCAXDZYERMXLK-AZUAARDMSA-N 1 0 364.449 2.563 50 30 FFEARO NC(=O)c1cccc(CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000070006962 527082154 /nfs/dbraw/zinc/08/21/54/527082154.db2.gz BOYVBGGKIVFTFL-UHFFFAOYSA-N 1 0 366.465 2.609 50 30 FFEARO COc1ccc(N2C(=O)C[n+]3ccccc3[C@@H]2C(=O)Nc2ccccc2)cc1 ZINC000004961952 536660683 /nfs/dbraw/zinc/66/06/83/536660683.db2.gz JROGFALLJMXTLC-OAQYLSRUSA-O 1 0 374.420 2.709 50 30 FFEARO C=CC[N@@H+](C[C@H](O)COCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983658 570866243 /nfs/dbraw/zinc/86/62/43/570866243.db2.gz BGXQEDAMVPUSHZ-DLBZAZTESA-N 1 0 352.862 2.718 50 30 FFEARO C=CCOC[C@@H](O)C[N@H+](CC=C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146677 210170864 /nfs/dbraw/zinc/17/08/64/210170864.db2.gz VQDNPYBDEOEKFN-ZWKOTPCHSA-N 1 0 364.873 2.885 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1ccccc1C)C2 ZINC000014540556 210145929 /nfs/dbraw/zinc/14/59/29/210145929.db2.gz IEOHTJPDLGNBOU-KRWDZBQOSA-N 1 0 352.482 2.726 50 30 FFEARO C=CCN1CC[C@@]2(C[N@@H+](CCSc3ccccc3)CCN2C)CCC1=O ZINC000107414012 210140737 /nfs/dbraw/zinc/14/07/37/210140737.db2.gz KAALUDFUFCWHKB-OAQYLSRUSA-N 1 0 373.566 2.963 50 30 FFEARO C=CCOc1c(Br)cc(C[NH2+]CC(OC)OC)cc1OC ZINC000007986230 210134803 /nfs/dbraw/zinc/13/48/03/210134803.db2.gz JHCUFKPOBNSGCH-UHFFFAOYSA-N 1 0 360.248 2.731 50 30 FFEARO OCC#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1 ZINC000091746853 210074273 /nfs/dbraw/zinc/07/42/73/210074273.db2.gz YQZGLKTXXATESM-XZOQPEGZSA-N 1 0 361.489 2.522 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCCN4CCCC4=O)[C@H]3C[C@@H]12 ZINC000012659923 220016444 /nfs/dbraw/zinc/01/64/44/220016444.db2.gz NWNADTATLWRPLF-GPUAKUCWSA-N 1 0 374.525 2.903 50 30 biogenic FFEARO CC1CC[NH+](C[C@H]2CCCN(C(=O)COc3ccc(C#N)cc3)C2)CC1 ZINC000058268488 212002389 /nfs/dbraw/zinc/00/23/89/212002389.db2.gz WBYMYJQKAUUAGG-LJQANCHMSA-N 1 0 355.482 2.908 50 30 FFEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](C)CC(OC)OC)[C@H]3C[C@@H]12 ZINC000061695587 221134399 /nfs/dbraw/zinc/13/43/99/221134399.db2.gz YHZOBPBMQMCRTE-ISIBIEBGSA-N 1 0 351.487 2.851 50 30 biogenic FFEARO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000065429400 221219348 /nfs/dbraw/zinc/21/93/48/221219348.db2.gz ZZZQHPYYTVPOHI-GOSISDBHSA-N 1 0 350.422 2.816 50 30 FFEARO N#Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071764753 221371417 /nfs/dbraw/zinc/37/14/17/221371417.db2.gz FEJDWYURQHZYMN-LJQANCHMSA-N 1 0 366.509 2.513 50 30 FFEARO N#Cc1ccc(N2CCC([NH2+]CCc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000095525165 132214743 /nfs/dbraw/zinc/21/47/43/132214743.db2.gz QIMROEKEHVNRCC-UHFFFAOYSA-N 1 0 372.476 2.940 50 30 FFEARO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCC[NH+]1CCCCC1 ZINC000032806374 506298942 /nfs/dbraw/zinc/29/89/42/506298942.db2.gz UJSQRUXQLQXGCH-HNNXBMFYSA-N 1 0 367.453 2.698 50 30 FFEARO C=CCC[C@@H](C[N@H+](C)C1CCN(C)CC1)Oc1ccnc(OC)c1C#N ZINC000067974224 507072618 /nfs/dbraw/zinc/07/26/18/507072618.db2.gz KJZJRRICLVSRDP-KRWDZBQOSA-N 1 0 358.486 2.701 50 30 FFEARO C#CC1(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000022917932 507320077 /nfs/dbraw/zinc/32/00/77/507320077.db2.gz BKDKTFBTJZEBBY-NRFANRHFSA-N 1 0 356.510 2.518 50 30 FFEARO N#Cc1cccc(OCC[NH+]2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000058178579 507380183 /nfs/dbraw/zinc/38/01/83/507380183.db2.gz JNSXRIYGCDZECY-UHFFFAOYSA-N 1 0 355.463 2.893 50 30 FFEARO CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCOC)CCN1C(=O)OC(C)(C)C ZINC000328593775 511889794 /nfs/dbraw/zinc/88/97/94/511889794.db2.gz HEWNMLWNUFACTH-LSDHHAIUSA-N 1 0 357.495 2.557 50 30 FFEARO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCC1(F)F ZINC000329629730 512079758 /nfs/dbraw/zinc/07/97/58/512079758.db2.gz VEQLFQGHVPBDAH-FVQBIDKESA-N 1 0 359.461 2.645 50 30 FFEARO C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1C1CC[NH2+]CC1 ZINC000534640144 517977077 /nfs/dbraw/zinc/97/70/77/517977077.db2.gz DTYARNPESZGHCH-UHFFFAOYSA-N 1 0 362.455 2.603 50 30 FFEARO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020805954 519147466 /nfs/dbraw/zinc/14/74/66/519147466.db2.gz JTFGCEVZUXFNIO-OAQYLSRUSA-N 1 0 352.478 2.977 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F ZINC000004427777 521756282 /nfs/dbraw/zinc/75/62/82/521756282.db2.gz XJUPFIHMXMEERR-UYTDBDHRSA-N 1 0 374.437 2.871 50 30 FFEARO COc1nccc(NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)c1C#N ZINC000082135086 525030839 /nfs/dbraw/zinc/03/08/39/525030839.db2.gz PXYYZRVQUYSKPH-UHFFFAOYSA-N 1 0 366.469 2.919 50 30 FFEARO C#CCn1c2cc(Cl)ccc2cc(C[N@H+](C)CCn2cccn2)c1=O ZINC000012080007 845021942 /nfs/dbraw/zinc/02/19/42/845021942.db2.gz WECFLJFPSHWMPJ-UHFFFAOYSA-N 1 0 354.841 2.617 50 30 FFEARO C[C@@H]1C[N@@H+](C[C@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C[C@H](C)O1 ZINC000020412369 220325047 /nfs/dbraw/zinc/32/50/47/220325047.db2.gz RUZUDZSTUUEQRC-HVWOOJGLSA-N 1 0 363.498 2.621 50 30 biogenic FFEARO C[C@@H]1C[NH+](C[C@H]2C(=O)O[C@]34[C@@H]5O[C@]5(C)CC[C@H]3[C@H](C)CC[C@@H]24)C[C@@H](C)O1 ZINC000020412366 220325637 /nfs/dbraw/zinc/32/56/37/220325637.db2.gz RUZUDZSTUUEQRC-HTIYCCLCSA-N 1 0 363.498 2.621 50 30 biogenic FFEARO COc1ccc(-n2cccn2)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[NH2+]2)c1 ZINC000071774650 221373522 /nfs/dbraw/zinc/37/35/22/221373522.db2.gz IHSUICBQMVPWMM-BLLLJJGKSA-N 1 0 372.432 2.746 50 30 FFEARO C=C(C)CN(CC)C(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000012327117 533504609 /nfs/dbraw/zinc/50/46/09/533504609.db2.gz RKWBSKZQMJXGPF-UHFFFAOYSA-N 1 0 373.526 2.790 50 30 FFEARO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000040025410 506459873 /nfs/dbraw/zinc/45/98/73/506459873.db2.gz VNYPDXUYICXNLE-LJQANCHMSA-N 1 0 368.525 2.713 50 30 FFEARO O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)NCc1ccccc1 ZINC000013768816 506956089 /nfs/dbraw/zinc/95/60/89/506956089.db2.gz WYEAIVWXDHFJKP-UHFFFAOYSA-O 1 0 350.417 2.844 50 30 FFEARO CCCCN1CCc2nc[nH]c2C12CC[NH+](Cc1c[nH]c(C#N)c1)CC2 ZINC000091351060 507982512 /nfs/dbraw/zinc/98/25/12/507982512.db2.gz LUXYAYWVEGLRJZ-UHFFFAOYSA-N 1 0 352.486 2.759 50 30 FFEARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095363318 508177025 /nfs/dbraw/zinc/17/70/25/508177025.db2.gz OGCNDNJVEVBNIR-KRWDZBQOSA-N 1 0 366.469 2.728 50 30 FFEARO C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000095953365 508199544 /nfs/dbraw/zinc/19/95/44/508199544.db2.gz BLGWSZISUHDCFQ-SNVBAGLBSA-N 1 0 374.495 2.766 50 30 FFEARO CN1CCN(N=Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000254419312 509906146 /nfs/dbraw/zinc/90/61/46/509906146.db2.gz HCHJXZIJJVBFCL-UHFFFAOYSA-N 1 0 360.465 2.575 50 30 FFEARO CN1CC[C@H]([NH+]2CCC(NC(=O)Cc3c(F)cccc3Cl)CC2)C1=O ZINC000329054021 511974462 /nfs/dbraw/zinc/97/44/62/511974462.db2.gz AMDVKHOQMIMDBP-INIZCTEOSA-N 1 0 367.852 2.673 50 30 FFEARO C[N@@H+]1CC[C@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@@H]1c1ccccc1 ZINC000329400520 512039785 /nfs/dbraw/zinc/03/97/85/512039785.db2.gz XUSRGJISLLQPDO-ICSRJNTNSA-N 1 0 367.449 2.946 50 30 FFEARO N#Cc1ccc(-c2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2)cc1Cl ZINC000426371209 513917188 /nfs/dbraw/zinc/91/71/88/513917188.db2.gz UEDPCJCQFFXPSH-UHFFFAOYSA-N 1 0 368.868 2.514 50 30 FFEARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000575547000 518229548 /nfs/dbraw/zinc/22/95/48/518229548.db2.gz VOUAABSLZRCZRE-QGZVFWFLSA-N 1 0 370.478 2.966 50 30 FFEARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000575550349 518231737 /nfs/dbraw/zinc/23/17/37/518231737.db2.gz VMZCHIJQORRUSY-MRXNPFEDSA-N 1 0 356.451 2.576 50 30 FFEARO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCOCC1 ZINC000022806688 519269166 /nfs/dbraw/zinc/26/91/66/519269166.db2.gz XIEJIUKYEUMDMR-UHFFFAOYSA-N 1 0 367.497 2.664 50 30 FFEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccco1 ZINC000102498138 520653866 /nfs/dbraw/zinc/65/38/66/520653866.db2.gz LMEWIDNHLGEGNQ-UYTDBDHRSA-N 1 0 358.394 2.636 50 30 FFEARO COC[C@@H]1CCC[N@@H+]1C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000252462275 522461865 /nfs/dbraw/zinc/46/18/65/522461865.db2.gz REILRXPTAKYZGI-QPZSCLIPSA-N 1 0 363.498 2.624 50 30 biogenic FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000019882569 524054718 /nfs/dbraw/zinc/05/47/18/524054718.db2.gz OAHUCMQJANXRCR-QGZVFWFLSA-N 1 0 372.396 2.949 50 30 FFEARO Cc1cc(C)cc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000004690356 524441403 /nfs/dbraw/zinc/44/14/03/524441403.db2.gz ZMFALMAIGBFQMA-UHFFFAOYSA-N 1 0 357.366 2.649 50 30 FFEARO [NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)COc1ccccc1Cl ZINC000013154054 526813729 /nfs/dbraw/zinc/81/37/29/526813729.db2.gz GZEMWDXGBKEILP-UHFFFAOYSA-N 1 0 363.757 2.685 50 30 FFEARO C=CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000015067037 1021786530 /nfs/dbraw/zinc/78/65/30/1021786530.db2.gz JZYPXWRJOYNOPW-FQEVSTJZSA-N 1 0 355.526 2.708 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@H+](C)Cc1cccs1)C2 ZINC000014748483 220132040 /nfs/dbraw/zinc/13/20/40/220132040.db2.gz GPZMYXHFFAIKCS-CQSZACIVSA-N 1 0 358.511 2.822 50 30 FFEARO COc1ccc(NC(=O)CSc2nc3c(cc2C#N)C[N@H+](C)CC3)cc1 ZINC000019852711 220301980 /nfs/dbraw/zinc/30/19/80/220301980.db2.gz KLJPHYWKWWUFMB-UHFFFAOYSA-N 1 0 368.462 2.681 50 30 aggregator FFEARO N#Cc1cccnc1N1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000252497536 132292935 /nfs/dbraw/zinc/29/29/35/132292935.db2.gz QKBMFQQDSACRQL-FQEVSTJZSA-N 1 0 361.493 2.597 50 30 FFEARO COCC[NH2+][C@@H](c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000096663699 222127076 /nfs/dbraw/zinc/12/70/76/222127076.db2.gz WWOFVAWCDSLEKV-RTWAWAEBSA-N 1 0 363.461 2.884 50 30 FFEARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[C@H](O)c1ccccc1 ZINC000040088341 506464499 /nfs/dbraw/zinc/46/44/99/506464499.db2.gz AFULFGCSWGBZJM-IEBWSBKVSA-N 1 0 352.438 2.591 50 30 FFEARO CC[N@@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000009575822 506702767 /nfs/dbraw/zinc/70/27/67/506702767.db2.gz BLBMNRLNOMZQPN-OAHLLOKOSA-N 1 0 368.506 2.806 50 30 FFEARO C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012209788 506835726 /nfs/dbraw/zinc/83/57/26/506835726.db2.gz HGKBVFDZSNGESY-MRXNPFEDSA-N 1 0 368.481 2.811 50 30 FFEARO N#Cc1c(N)nc2c(c1-c1c[nH]nc1-c1ccc(Cl)cc1)C[NH2+]CC2 ZINC000072150447 507759621 /nfs/dbraw/zinc/75/96/21/507759621.db2.gz JMZRILTUIFNTPX-UHFFFAOYSA-N 1 0 350.813 2.892 50 30 FFEARO C=CCN1CC[C@]2(CN(Cc3cc(F)cc(F)c3)CC[N@H+]2C)CCC1=O ZINC000091933046 508025715 /nfs/dbraw/zinc/02/57/15/508025715.db2.gz ZGRCVKNXKRTCEF-FQEVSTJZSA-N 1 0 363.452 2.650 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1 ZINC000013127320 524055971 /nfs/dbraw/zinc/05/59/71/524055971.db2.gz AVUMYLIDAJXAKA-SFHVURJKSA-N 1 0 365.433 2.612 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000005595834 525787596 /nfs/dbraw/zinc/78/75/96/525787596.db2.gz FBWAFTDDFQGCKV-GROYHEBESA-N 1 0 372.396 2.710 50 30 FFEARO Cc1oc(-c2ccccc2)nc1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000069576408 526736706 /nfs/dbraw/zinc/73/67/06/526736706.db2.gz WZPAGNVOCWAPSX-UHFFFAOYSA-N 1 0 354.454 2.887 50 30 FFEARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000670462247 571356939 /nfs/dbraw/zinc/35/69/39/571356939.db2.gz BBXOKSNRECMDGO-OAHLLOKOSA-N 1 0 371.506 2.699 50 30 FFEARO CC(C)(O)C#Cc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC001506422253 1059511852 /nfs/dbraw/zinc/51/18/52/1059511852.db2.gz QRAOCBWOFJFNRN-UHFFFAOYSA-N 1 0 354.494 2.757 50 30 FFEARO Cc1ncc2c(c1C#N)CCN(C(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)C2 ZINC000055227411 221063562 /nfs/dbraw/zinc/06/35/62/221063562.db2.gz ZEQMPFWDKAZQER-MRXNPFEDSA-N 1 0 364.449 2.652 50 30 FFEARO N#Cc1cc2c(ccn(CC[N@@H+]3CCC[C@H](c4ccccc4)C3)c2=O)nc1O ZINC000067675950 221268978 /nfs/dbraw/zinc/26/89/78/221268978.db2.gz FXWXQCPMWIWVRU-KRWDZBQOSA-N 1 0 374.444 2.853 50 30 FFEARO C=CCC[C@H](C[N@H+](C)C1CCN(C)CC1)Oc1ccnc(OC)c1C#N ZINC000067974223 221310736 /nfs/dbraw/zinc/31/07/36/221310736.db2.gz KJZJRRICLVSRDP-QGZVFWFLSA-N 1 0 358.486 2.701 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006813223 506510775 /nfs/dbraw/zinc/51/07/75/506510775.db2.gz WDMSLDMPIRBEQR-GHNGSUTGSA-N 1 0 368.433 2.961 50 30 FFEARO C=CC[C@@]1(CO)CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000091876853 508020941 /nfs/dbraw/zinc/02/09/41/508020941.db2.gz WVVHYNFAULRUGG-OAQYLSRUSA-N 1 0 356.510 2.827 50 30 FFEARO C=CC[N@@H+](C[C@@H](O)COCC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000245325599 509885663 /nfs/dbraw/zinc/88/56/63/509885663.db2.gz BGXQEDAMVPUSHZ-IAGOWNOFSA-N 1 0 352.862 2.718 50 30 FFEARO C[NH+](C)[C@H]1CN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)C[C@@H]1O ZINC000426566786 513983561 /nfs/dbraw/zinc/98/35/61/513983561.db2.gz BMOWAAUEZFLUEN-OALUTQOASA-N 1 0 369.852 2.626 50 30 FFEARO N#C[C@@H]1CCCN(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000426746120 514030856 /nfs/dbraw/zinc/03/08/56/514030856.db2.gz PPUPKKHALCADLL-FQEVSTJZSA-N 1 0 354.498 2.886 50 30 FFEARO C=CCNC(=O)NC[C@H]1C[C@@](C)(CO)[N@H+](CC)[C@H]1c1ccc(Cl)cc1 ZINC000584898108 518529751 /nfs/dbraw/zinc/52/97/51/518529751.db2.gz OQBFDVMZEQAWDW-AYBZRNKSSA-N 1 0 365.905 2.959 50 30 FFEARO C=CCn1cc(C[NH2+]C23C[C@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)c(C)n1 ZINC000055042472 519280145 /nfs/dbraw/zinc/28/01/45/519280145.db2.gz WBAONPDEHPUSCX-FWYSVENZSA-N 1 0 352.486 2.807 50 30 FFEARO Cc1cccc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000004685106 524722091 /nfs/dbraw/zinc/72/20/91/524722091.db2.gz WUMYJUFLFMXWON-UHFFFAOYSA-N 1 0 357.366 2.649 50 30 FFEARO Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)o1 ZINC000019928001 525984912 /nfs/dbraw/zinc/98/49/12/525984912.db2.gz SQWMHSBMJPOGHH-KRWDZBQOSA-N 1 0 372.396 2.867 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4ccncc4)[C@H]3[C@@H]3O[C@]312 ZINC000012659830 220016333 /nfs/dbraw/zinc/01/63/33/220016333.db2.gz AHOMDMPWVTZNJU-QIZAOCPXSA-N 1 0 356.466 2.697 50 30 biogenic FFEARO OCC#Cc1csc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000019792716 220297180 /nfs/dbraw/zinc/29/71/80/220297180.db2.gz QPMAXEJNRAJVKM-FQEVSTJZSA-N 1 0 366.530 2.813 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cccc(C)c1)C2 ZINC000019799986 220299616 /nfs/dbraw/zinc/29/96/16/220299616.db2.gz VVKZSOBLYRCBHM-KRWDZBQOSA-N 1 0 352.482 2.726 50 30 FFEARO Cn1nc(-c2c(C#N)c(N)nc3c2C[C@@H]([NH3+])CC3)c2c1cccc2Cl ZINC000071762489 221369527 /nfs/dbraw/zinc/36/95/27/221369527.db2.gz MTFWVUGVOCPSEH-VIFPVBQESA-N 1 0 352.829 2.559 50 30 FFEARO N#Cc1cccnc1N1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000252497537 132293015 /nfs/dbraw/zinc/29/30/15/132293015.db2.gz QKBMFQQDSACRQL-HXUWFJFHSA-N 1 0 361.493 2.597 50 30 FFEARO C=CC[C@]1(CO)CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000091876854 221810071 /nfs/dbraw/zinc/81/00/71/221810071.db2.gz WVVHYNFAULRUGG-NRFANRHFSA-N 1 0 356.510 2.827 50 30 FFEARO CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012469405 263370527 /nfs/dbraw/zinc/37/05/27/263370527.db2.gz GQJKKENNZPDUEK-SFHVURJKSA-N 1 0 370.493 2.804 50 30 FFEARO C#Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NC(C)C)CC3)CC2)cc1 ZINC000012711853 506892403 /nfs/dbraw/zinc/89/24/03/506892403.db2.gz VCWIOCFIBUCASA-UHFFFAOYSA-N 1 0 367.537 2.869 50 30 FFEARO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207118 506962858 /nfs/dbraw/zinc/96/28/58/506962858.db2.gz NAYTYNLIIXJKQZ-GJZGRUSLSA-N 1 0 367.424 2.867 50 30 FFEARO N#Cc1ccc(C[N@@H+]2CCCN(Cc3nnc(-c4ccco4)o3)CC2)cc1 ZINC000022850286 507314741 /nfs/dbraw/zinc/31/47/41/507314741.db2.gz HLRSRYJRXIQFIN-UHFFFAOYSA-N 1 0 363.421 2.909 50 30 FFEARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccccc2C#N)CC1 ZINC000095362938 508176885 /nfs/dbraw/zinc/17/68/85/508176885.db2.gz PPSKLWBSBFGEIT-UHFFFAOYSA-N 1 0 365.481 2.726 50 30 FFEARO N#Cc1cccc(-c2cccc(C(=O)NCCC[N@H+]3CCC[C@@H](O)C3)c2)c1 ZINC000426443087 513942552 /nfs/dbraw/zinc/94/25/52/513942552.db2.gz WWISNVVIGDZCFS-OAQYLSRUSA-N 1 0 363.461 2.802 50 30 FFEARO C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1cc(F)ccc1F)C2 ZINC000014744630 519287326 /nfs/dbraw/zinc/28/73/26/519287326.db2.gz VNKTZWKWXYOGSR-HNNXBMFYSA-N 1 0 374.435 2.696 50 30 FFEARO CCC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc[n+](CC)c1 ZINC000001277306 521069913 /nfs/dbraw/zinc/06/99/13/521069913.db2.gz FKLZWWKQEBPASE-KRWDZBQOSA-O 1 0 355.458 2.900 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F ZINC000102875952 521756429 /nfs/dbraw/zinc/75/64/29/521756429.db2.gz XJUPFIHMXMEERR-IBOXJLQUSA-N 1 0 374.437 2.871 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000006787133 524054127 /nfs/dbraw/zinc/05/41/27/524054127.db2.gz ATTYYIZKDGMAHB-HVESIFNPSA-N 1 0 372.396 2.792 50 30 FFEARO CC(C)(O)C#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)cc1 ZINC000670453940 571353375 /nfs/dbraw/zinc/35/33/75/571353375.db2.gz ZBQIFBQLRLQUBM-UHFFFAOYSA-N 1 0 363.505 2.912 50 30 FFEARO C[C@H](C[NH+]1CCC(C(=O)NCCN2CCOCC2)CC1)c1ccccc1 ZINC000022241742 962495810 /nfs/dbraw/zinc/49/58/10/962495810.db2.gz URJQMSDYIBFZBX-GOSISDBHSA-N 1 0 359.514 2.791 50 30 FFEARO C[NH+](C)CCc1nnc(NC(=O)CC2=C(c3ccccc3)CCC2=O)s1 ZINC001506420268 1059508388 /nfs/dbraw/zinc/50/83/88/1059508388.db2.gz AERYEHVLVGGNST-UHFFFAOYSA-N 1 0 370.478 2.788 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000019788485 220296819 /nfs/dbraw/zinc/29/68/19/220296819.db2.gz FWHMOCAPLULCTL-GOSISDBHSA-N 1 0 366.417 2.532 50 30 FFEARO CC[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](CC)CC3)sc2C1 ZINC000020581430 220334557 /nfs/dbraw/zinc/33/45/57/220334557.db2.gz GJPILIXFOHTXOH-AWEZNQCLSA-N 1 0 360.527 2.711 50 30 FFEARO N#Cc1ccc(N2CC[NH+](C[C@@]3(c4cccc(F)c4)CCOC3)CC2)nc1 ZINC000020820934 132898844 /nfs/dbraw/zinc/89/88/44/132898844.db2.gz KKKTWGNNOVCTIR-NRFANRHFSA-N 1 0 366.440 2.573 50 30 FFEARO Cc1c(C[NH2+][C@@H](C)CCN2CCN(c3ccccc3)CC2)cc(C#N)n1C ZINC000058007718 136130335 /nfs/dbraw/zinc/13/03/35/136130335.db2.gz NULUEPMTNLYVHI-SFHVURJKSA-N 1 0 365.525 2.896 50 30 FFEARO CCC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc[n+](CC)c1 ZINC000001277305 506258333 /nfs/dbraw/zinc/25/83/33/506258333.db2.gz FKLZWWKQEBPASE-QGZVFWFLSA-O 1 0 355.458 2.900 50 30 FFEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccs1 ZINC000013733876 506954875 /nfs/dbraw/zinc/95/48/75/506954875.db2.gz IEENCCKORPEHJU-MRXNPFEDSA-N 1 0 371.462 2.673 50 30 FFEARO Cn1cc(C#N)cc1C(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000095497228 508189749 /nfs/dbraw/zinc/18/97/49/508189749.db2.gz JWJDKOJUGKVUFL-IBGZPJMESA-N 1 0 364.493 2.923 50 30 FFEARO COc1nccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000328759819 511927849 /nfs/dbraw/zinc/92/78/49/511927849.db2.gz XATLMGSLKKMFQH-OAHLLOKOSA-N 1 0 355.442 2.627 50 30 FFEARO COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1=O ZINC000329261267 512016539 /nfs/dbraw/zinc/01/65/39/512016539.db2.gz AVULQLCBFNAUGW-NVXWUHKLSA-N 1 0 371.481 2.963 50 30 FFEARO CCN(CC)c1ccc(/C=[NH+]/N2CCN(c3ccccn3)CC2)c(O)c1 ZINC000015658606 520882832 /nfs/dbraw/zinc/88/28/32/520882832.db2.gz LATNZNGZFSHVLP-CJLVFECKSA-N 1 0 353.470 2.790 50 30 FFEARO COc1ccc(Cl)cc1C(=O)ONC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1 ZINC000004685127 524199361 /nfs/dbraw/zinc/19/93/61/524199361.db2.gz VUTUVARUXHWDLQ-UHFFFAOYSA-N 1 0 363.757 2.929 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000104228745 525787299 /nfs/dbraw/zinc/78/72/99/525787299.db2.gz UXGLPOUZYDPUOZ-IBOXJLQUSA-N 1 0 358.394 2.554 50 30 FFEARO C=CC[N@H+]1CC[C@H](CNC(=O)N(C)CCc2nc3c(cccc3C)[nH]2)C1 ZINC000670447972 571351862 /nfs/dbraw/zinc/35/18/62/571351862.db2.gz VCCVFGJFEMVAGT-MRXNPFEDSA-N 1 0 355.486 2.563 50 30 FFEARO COc1ccc([C@H](CNC=C2C(=O)Oc3ccccc3C2=O)[NH+](C)C)cc1 ZINC000824654570 999243153 /nfs/dbraw/zinc/24/31/53/999243153.db2.gz NPJOCTYPJCHBGQ-FSEPTYSPSA-N 1 0 366.417 2.573 50 30 FFEARO OCC#Cc1csc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000828644594 999577612 /nfs/dbraw/zinc/57/76/12/999577612.db2.gz JJKOHYRTWWISII-OAQYLSRUSA-N 1 0 366.530 2.767 50 30 FFEARO C#CCOc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)ccc1OC ZINC001529168035 1062200416 /nfs/dbraw/zinc/20/04/16/1062200416.db2.gz UIIBKIPYFOAPDH-QGFMHUBQSA-N 1 0 370.493 2.898 50 30 FFEARO N#Cc1ccccc1C[NH+]1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000071765400 221373044 /nfs/dbraw/zinc/37/30/44/221373044.db2.gz AJIGDFXYIXTDTA-UHFFFAOYSA-N 1 0 373.460 2.871 50 30 FFEARO COc1c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1C ZINC000109351933 132306718 /nfs/dbraw/zinc/30/67/18/132306718.db2.gz QVBALKVWAZDSCV-OAHLLOKOSA-N 1 0 357.433 2.507 50 30 FFEARO Cc1ccc(NC(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)cc1C#N ZINC000096137778 222040701 /nfs/dbraw/zinc/04/07/01/222040701.db2.gz XTPFFZYAUQBYPF-UHFFFAOYSA-N 1 0 355.486 2.548 50 30 FFEARO Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000097732691 222208596 /nfs/dbraw/zinc/20/85/96/222208596.db2.gz JLJNYECCHITFFR-QGZVFWFLSA-N 1 0 368.481 2.506 50 30 FFEARO C=CCN1[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N[C@H]2CCCC[C@@H]21 ZINC000102562259 222299173 /nfs/dbraw/zinc/29/91/73/222299173.db2.gz TVERLAUBMYZBFH-YESZJQIVSA-N 1 0 361.873 2.966 50 30 FFEARO CC[C@@H](CNC(=O)COc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000032445991 506255301 /nfs/dbraw/zinc/25/53/01/506255301.db2.gz LGPZQZOVNMMUDY-FQEVSTJZSA-N 1 0 363.461 2.890 50 30 FFEARO C=CC[N@@H+](C[C@@H](O)COCC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146302 506399836 /nfs/dbraw/zinc/39/98/36/506399836.db2.gz BGXQEDAMVPUSHZ-SJORKVTESA-N 1 0 352.862 2.718 50 30 FFEARO C=CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012209791 506836391 /nfs/dbraw/zinc/83/63/91/506836391.db2.gz HGKBVFDZSNGESY-INIZCTEOSA-N 1 0 368.481 2.811 50 30 FFEARO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012702585 506889762 /nfs/dbraw/zinc/88/97/62/506889762.db2.gz XZRNDUFRNLSZRH-SFHVURJKSA-N 1 0 361.530 2.524 50 30 FFEARO CC1(C#N)CC[NH+](Cc2cccc(OCCCN3CCOCC3)c2)CC1 ZINC000216053445 509254730 /nfs/dbraw/zinc/25/47/30/509254730.db2.gz WMEBJLSEBNHXKB-UHFFFAOYSA-N 1 0 357.498 2.913 50 30 FFEARO C[N@@H+]1CC[C@H](NC(=O)N2CCOc3cc(O)ccc3C2)[C@H]1c1ccccc1 ZINC000329400517 512039882 /nfs/dbraw/zinc/03/98/82/512039882.db2.gz XUSRGJISLLQPDO-AZUAARDMSA-N 1 0 367.449 2.946 50 30 FFEARO CCC[N@H+](CC#Cc1ccccc1)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000063846184 521523457 /nfs/dbraw/zinc/52/34/57/521523457.db2.gz CZRVNNBOYHMKEE-UHFFFAOYSA-N 1 0 356.491 2.858 50 30 FFEARO N#C[C@H]1CCCN(Cc2cccc(OCCCC[NH+]3CCOCC3)c2)C1 ZINC000215114909 526513749 /nfs/dbraw/zinc/51/37/49/526513749.db2.gz NOOJAJKJPOASHD-HXUWFJFHSA-N 1 0 357.498 2.913 50 30 FFEARO OCC#Cc1csc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000828644593 999577461 /nfs/dbraw/zinc/57/74/61/999577461.db2.gz JJKOHYRTWWISII-NRFANRHFSA-N 1 0 366.530 2.767 50 30 FFEARO CC(C)c1nnc2n1CC[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC2 ZINC000015009194 220141171 /nfs/dbraw/zinc/14/11/71/220141171.db2.gz SRQZIWPMFSJOHZ-UHFFFAOYSA-N 1 0 352.482 2.582 50 30 FFEARO COc1c2c(cc3c1[C@@H](C/C(=N/O)c1ccncc1)[N@H+](C)CC3)OCO2 ZINC000020111929 220312038 /nfs/dbraw/zinc/31/20/38/220312038.db2.gz OMVVQWWNTLLIGV-XWCAUFEOSA-N 1 0 355.394 2.617 50 30 biogenic FFEARO CCN(CC)c1ccc(/C=[NH+]/CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003182094 506311943 /nfs/dbraw/zinc/31/19/43/506311943.db2.gz VPRDFUOKBLSRAS-RCCKNPSSSA-N 1 0 359.495 2.842 50 30 FFEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4cccnc4)[C@H]3[C@@H]3O[C@]312 ZINC000003999688 506352718 /nfs/dbraw/zinc/35/27/18/506352718.db2.gz SDMKAJVSPMROMN-NWXZCIDWSA-N 1 0 356.466 2.697 50 30 biogenic FFEARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000033312373 506355873 /nfs/dbraw/zinc/35/58/73/506355873.db2.gz PWFPGAQYQDCVLB-MRXNPFEDSA-N 1 0 361.511 2.691 50 30 FFEARO CC(C)c1cc(N2CC[NH+](CCO)CC2)n2c3ccccc3nc2c1C#N ZINC000019682081 507191125 /nfs/dbraw/zinc/19/11/25/507191125.db2.gz MMLFRJGOHCIJDP-UHFFFAOYSA-N 1 0 363.465 2.597 50 30 FFEARO CC[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000029121079 507761855 /nfs/dbraw/zinc/76/18/55/507761855.db2.gz WWPHSCJGLCUXIF-UHFFFAOYSA-N 1 0 357.502 2.668 50 30 FFEARO N#Cc1ccc(-c2cccc(C(=O)NC[C@]3(O)CCC[NH2+]C3)c2)cc1Cl ZINC000426359519 513913561 /nfs/dbraw/zinc/91/35/61/513913561.db2.gz JVPHOCOJGZHWNG-FQEVSTJZSA-N 1 0 369.852 2.723 50 30 FFEARO C=CC[N@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3ccccc3OC)CC2)C1 ZINC000584900816 518531142 /nfs/dbraw/zinc/53/11/42/518531142.db2.gz MNDGPEINSDTINB-KRWDZBQOSA-N 1 0 373.497 2.756 50 30 FFEARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000082117427 521115513 /nfs/dbraw/zinc/11/55/13/521115513.db2.gz KKCXLTDHQXIDPD-CQSZACIVSA-N 1 0 364.442 2.957 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)o1 ZINC000004312053 525787671 /nfs/dbraw/zinc/78/76/71/525787671.db2.gz PXRNKTNOZLYXEO-SELCWUDQSA-N 1 0 368.433 2.961 50 30 FFEARO CCN(C[C@@H]1CC[N@H+](CC)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000952970810 740471850 /nfs/dbraw/zinc/47/18/50/740471850.db2.gz TWRAPBZBRHOMNB-CQSZACIVSA-N 1 0 355.891 2.564 50 30 FFEARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000019582798 220276660 /nfs/dbraw/zinc/27/66/60/220276660.db2.gz HODXMUDWABFYCQ-SFHVURJKSA-N 1 0 368.408 2.966 50 30 FFEARO C#CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012381138 532987945 /nfs/dbraw/zinc/98/79/45/532987945.db2.gz SPZBELCEWZYPKC-KRWDZBQOSA-N 1 0 370.415 2.617 50 30 FFEARO COc1c2c(cc3c1[C@H](C/C(=N/O)c1ccncc1)[N@H+](C)CC3)OCO2 ZINC000020111927 220313455 /nfs/dbraw/zinc/31/34/55/220313455.db2.gz OMVVQWWNTLLIGV-JTMDUIFQSA-N 1 0 355.394 2.617 50 30 biogenic FFEARO Cn1cnnc1CC1CC[NH+](Cc2cccn2-c2ccc(C#N)cc2)CC1 ZINC000055198317 221060794 /nfs/dbraw/zinc/06/07/94/221060794.db2.gz SSHAANXBGFMTGP-UHFFFAOYSA-N 1 0 360.465 2.932 50 30 FFEARO C=CCc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019367352 263374780 /nfs/dbraw/zinc/37/47/80/263374780.db2.gz KUOVTMLCFKFKAI-JOCHJYFZSA-N 1 0 366.505 2.973 50 30 FFEARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[C@@H](O)c1ccccc1 ZINC000040088344 506464975 /nfs/dbraw/zinc/46/49/75/506464975.db2.gz AFULFGCSWGBZJM-HKUYNNGSSA-N 1 0 352.438 2.591 50 30 FFEARO Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000006813185 506510271 /nfs/dbraw/zinc/51/02/71/506510271.db2.gz WDMSLDMPIRBEQR-SELCWUDQSA-N 1 0 368.433 2.961 50 30 FFEARO C=CC[NH+](CC=C)[C@@H](CNc1nc2ccccn2c(=O)c1[N+](=O)[O-])C(C)C ZINC000024842372 507442280 /nfs/dbraw/zinc/44/22/80/507442280.db2.gz RAHGBFLLDRVSQU-HNNXBMFYSA-N 1 0 371.441 2.713 50 30 FFEARO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000095380198 508180747 /nfs/dbraw/zinc/18/07/47/508180747.db2.gz WWTPYBHIZPFHGS-HRAATJIYSA-N 1 0 372.472 2.657 50 30 FFEARO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cc1 ZINC000095530226 508197098 /nfs/dbraw/zinc/19/70/98/508197098.db2.gz NWOISJPOPBZUIP-FUHWJXTLSA-N 1 0 352.463 2.638 50 30 FFEARO C=CCN(CC=C)C(=O)c1sc2ncnc(NCC[NH+](C)C)c2c1C ZINC000299799813 518769011 /nfs/dbraw/zinc/76/90/11/518769011.db2.gz TUBZQNRQJFPIOI-UHFFFAOYSA-N 1 0 359.499 2.787 50 30 FFEARO C[C@H](NC(=O)CSc1nc2c(cc1C#N)C[N@H+](C)CC2)c1ccccc1 ZINC000019851703 524976605 /nfs/dbraw/zinc/97/66/05/524976605.db2.gz VLOAMKXOHBTEKY-AWEZNQCLSA-N 1 0 366.490 2.911 50 30 FFEARO C[NH+]1CCC(c2ncc(C(=O)N[C@H](C#N)c3ccccc3Cl)[nH]2)CC1 ZINC000685941734 571102011 /nfs/dbraw/zinc/10/20/11/571102011.db2.gz HMQSFMBAWDPENM-OAHLLOKOSA-N 1 0 357.845 2.867 50 30 FFEARO