smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC2(CC1)NC(=O)c1cccnc1N2C ZINC000019456250 210250513 /nfs/dbraw/zinc/25/05/13/210250513.db2.gz QPJJGQAGRZSSDA-OAHLLOKOSA-N 1 0 387.484 0.548 40 0 GCABRO Cn1c(=O)cc(C(=O)N(CC[NH+](C)C)Cc2ccc3c(c2)OCO3)n(C)c1=O ZINC000019288677 210237268 /nfs/dbraw/zinc/23/72/68/210237268.db2.gz AATKNFOTUPSBLI-UHFFFAOYSA-N 1 0 388.424 0.017 40 0 GCABRO COc1ccc(C)cc1S(=O)(=O)N(CC[NH3+])[C@@]1(C)CCS(=O)(=O)C1 ZINC000575421087 530687746 /nfs/dbraw/zinc/68/77/46/530687746.db2.gz HSPDDKWJLWSTEA-HNNXBMFYSA-N 1 0 376.500 0.530 40 0 GCABRO COc1ccc(S(=O)(=O)NCC[NH2+][C@]2(C)CCS(=O)(=O)C2)c(OC)c1 ZINC000575426421 530689814 /nfs/dbraw/zinc/68/98/14/530689814.db2.gz SUCMFSNSLGASPD-OAHLLOKOSA-N 1 0 392.499 0.149 40 0 GCABRO CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008299088 291099940 /nfs/dbraw/zinc/09/99/40/291099940.db2.gz SPBKBDMODIUIFB-XHSDSOJGSA-N 1 0 376.505 0.538 40 0 biogenic,in-vitro GCABRO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CC[N@H+](Cc2ccccn2)C1 ZINC000306140472 212052717 /nfs/dbraw/zinc/05/27/17/212052717.db2.gz UUMUXYXLXXQCID-NRFANRHFSA-N 1 0 390.447 0.791 40 0 GCABRO Cn1cc(C[N@@H+]2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)cn1 ZINC000306131531 212048369 /nfs/dbraw/zinc/04/83/69/212048369.db2.gz KHZORKBLXLQVRV-OAQYLSRUSA-N 1 0 392.463 0.635 40 0 GCABRO CC(=O)N[C@]12CN(S(=O)(=O)c3cn(CC(C)C)nc3C)C[C@H]1C[N@H+](C)CC2 ZINC000257315806 212024314 /nfs/dbraw/zinc/02/43/14/212024314.db2.gz VCVLHSYJVNOPNG-SJLPKXTDSA-N 1 0 397.545 0.678 40 0 GCABRO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1 ZINC000257302134 212020217 /nfs/dbraw/zinc/02/02/17/212020217.db2.gz SBQZODVXVWTCIB-FQEVSTJZSA-N 1 0 390.484 0.617 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)Cn3cc(C)cn3)CC2)CC1 ZINC000257304000 212019964 /nfs/dbraw/zinc/01/99/64/212019964.db2.gz SJRCSTNEBPLCFM-HXUWFJFHSA-N 1 0 391.516 0.536 40 0 GCABRO CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2csnn2)[N@@H+]1C ZINC000035442531 204219910 /nfs/dbraw/zinc/21/99/10/204219910.db2.gz QIIGHSQGCOBPDY-UXLLHSPISA-N 1 0 394.545 0.560 40 0 biogenic,in-vitro GCABRO CN1[C@@H]2CC[N@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1 ZINC000035442507 204220709 /nfs/dbraw/zinc/22/07/09/204220709.db2.gz VNPZDWHDXAZEPE-JZXOWHBKSA-N 1 0 380.533 0.545 40 0 biogenic,in-vitro GCABRO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000013675170 204503231 /nfs/dbraw/zinc/50/32/31/204503231.db2.gz GQXHTXLOKSEERV-UHFFFAOYSA-N 1 0 383.470 0.783 40 0 GCABRO CN(C)S(=O)(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257248394 212010881 /nfs/dbraw/zinc/01/08/81/212010881.db2.gz JDLPUTDIJYQRFK-BDXSIMOUSA-N 1 0 383.514 0.818 40 0 GCABRO Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+](C)CCO ZINC000257229284 206162135 /nfs/dbraw/zinc/16/21/35/206162135.db2.gz FXMLTSRFJOQMME-ZRNYENFQSA-N 1 0 385.464 0.993 40 0 GCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)C1CCOCC1 ZINC000257211013 206160072 /nfs/dbraw/zinc/16/00/72/206160072.db2.gz BXCNSPZSJXYTNI-YRXWBPOGSA-N 1 0 396.459 0.542 40 0 GCABRO Cc1ocnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)CCO ZINC000257221449 206160943 /nfs/dbraw/zinc/16/09/43/206160943.db2.gz DPBYJONCIBAVGU-LMSBXDPUSA-N 1 0 393.415 0.725 40 0 GCABRO O=C(NCCS(=O)(=O)N1CCCC1)[C@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257220008 206161919 /nfs/dbraw/zinc/16/19/19/206161919.db2.gz DJEJWKUCJODASZ-MRXNPFEDSA-N 1 0 384.477 0.146 40 0 GCABRO CS(=O)(=O)NCC(=O)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257279567 206172306 /nfs/dbraw/zinc/17/23/06/206172306.db2.gz OHGBTPGPKIICPT-AWEZNQCLSA-N 1 0 383.461 0.010 40 0 GCABRO CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)CC2)CC1 ZINC000257255299 206167658 /nfs/dbraw/zinc/16/76/58/206167658.db2.gz KGZFCYGSOKWDFM-OAQYLSRUSA-N 1 0 388.512 0.881 40 0 GCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ncc[nH]1 ZINC000257281666 206170820 /nfs/dbraw/zinc/17/08/20/206170820.db2.gz OQJVYGGQDUQFBG-WCVJEAGWSA-N 1 0 378.404 0.152 40 0 GCABRO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000057369653 206211086 /nfs/dbraw/zinc/21/10/86/206211086.db2.gz JLOYTZPZROZBLP-LBPRGKRZSA-N 1 0 391.449 0.857 40 0 GCABRO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@]21CC[N@H+](Cc2ccco2)C1 ZINC000306127117 206196540 /nfs/dbraw/zinc/19/65/40/206196540.db2.gz FOSFIPYIUOKVPS-FQEVSTJZSA-N 1 0 379.420 0.989 40 0 GCABRO O=c1c(=O)n(Cc2ccncc2)nc2n1CC[C@@]21CC[N@H+](Cc2cccnc2)C1 ZINC000306129561 206198295 /nfs/dbraw/zinc/19/82/95/206198295.db2.gz IGXRUDCVNIAOEI-OAQYLSRUSA-N 1 0 390.447 0.791 40 0 GCABRO Cn1cc(C[N@@H+]2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC(C)(C)C)CN3C)cn1 ZINC000306133097 206200522 /nfs/dbraw/zinc/20/05/22/206200522.db2.gz MBRIRUCAJBDPKU-LJQANCHMSA-N 1 0 386.504 0.630 40 0 GCABRO Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]2(CC[C@@H](C[NH+](C)C)O2)C1 ZINC000306141032 206204375 /nfs/dbraw/zinc/20/43/75/206204375.db2.gz VJJVLKPTQGMCGH-RDJZCZTQSA-N 1 0 386.518 0.537 40 0 GCABRO CCN(CC)S(=O)(=O)N1CCC(c2nc3c(c(NC)n2)CC[NH2+]C3)CC1 ZINC000019711553 210285506 /nfs/dbraw/zinc/28/55/06/210285506.db2.gz QHXKNRPLBYDZDA-UHFFFAOYSA-N 1 0 382.534 0.930 40 0 GCABRO Cc1c(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C[NH+]3CCCC3)CC2)cnn1C ZINC000019661061 210280200 /nfs/dbraw/zinc/28/02/00/210280200.db2.gz VVLDLOONZILRSQ-AWEZNQCLSA-N 1 0 397.545 0.730 40 0 GCABRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCCC4)C3)cc2c(=O)[nH]1 ZINC000012362446 221185378 /nfs/dbraw/zinc/18/53/78/221185378.db2.gz GOPTXXVLNDSBJV-ZDUSSCGKSA-N 1 0 392.481 0.713 40 0 GCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCOCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1 ZINC000225518818 560042179 /nfs/dbraw/zinc/04/21/79/560042179.db2.gz FMZQURMPMOGGLE-SZVRAQGESA-N 1 0 390.427 0.299 40 0 biogenic,in-vitro GCABRO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000328979152 570210395 /nfs/dbraw/zinc/21/03/95/570210395.db2.gz GDBBSXCBMQUQGT-NSHDSACASA-N 1 0 377.470 0.788 40 0 GCABRO CC[NH+]1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(=O)NC)C2 ZINC000096145247 570213797 /nfs/dbraw/zinc/21/37/97/570213797.db2.gz WDVACQFHCFAFHV-UHFFFAOYSA-N 1 0 381.498 0.918 40 0 GCABRO CN(C)C(=O)N1CCC[C@]2(C(=O)N(C)C)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC000096251324 570224522 /nfs/dbraw/zinc/22/45/22/570224522.db2.gz AXCXDFXCCSVTFN-APWZRJJASA-N 1 0 376.505 0.704 40 0 GCABRO CCN1Cc2c(C(=O)N[C@H]3CC[N@H+](C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096266131 570226836 /nfs/dbraw/zinc/22/68/36/570226836.db2.gz VKFZJPBYDYYONB-ZDUSSCGKSA-N 1 0 389.481 0.830 40 0 GCABRO CC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H]1O ZINC000585270393 570239123 /nfs/dbraw/zinc/23/91/23/570239123.db2.gz VTOCOBLJJVBNBD-BHIYHBOVSA-N 1 0 388.468 0.431 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585278655 570246457 /nfs/dbraw/zinc/24/64/57/570246457.db2.gz PWPOHYAFXPLEAB-FQEVSTJZSA-N 1 0 378.469 0.502 40 0 GCABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCN(C(C)=O)C[C@@H](CO)C3)CC2)c1 ZINC000585283369 570251171 /nfs/dbraw/zinc/25/11/71/570251171.db2.gz NUDOBWYWRZKVAK-SFHVURJKSA-N 1 0 391.512 0.799 40 0 GCABRO CC(C)[NH+]1CCN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CC1 ZINC000585283861 570251936 /nfs/dbraw/zinc/25/19/36/570251936.db2.gz IIVLXPVUNMROJQ-PZJWPPBQSA-N 1 0 375.513 0.579 40 0 GCABRO O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH+]2CCC(CO)CC2)C1 ZINC000585284547 570253371 /nfs/dbraw/zinc/25/33/71/570253371.db2.gz GAAQUONEIUXHLI-CTNGQTDRSA-N 1 0 376.497 0.648 40 0 GCABRO CCOC(=O)N1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](C2)CCCCN3CC(N)=O)CC1 ZINC000585284573 570253716 /nfs/dbraw/zinc/25/37/16/570253716.db2.gz TYTXOGRZVYCYGY-DLBZAZTESA-N 1 0 396.532 0.632 40 0 GCABRO O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CC2CCOCC2)C1 ZINC000585285811 570255385 /nfs/dbraw/zinc/25/53/85/570255385.db2.gz UECXCHLMWPEPRY-ZWKOTPCHSA-N 1 0 384.498 0.189 40 0 GCABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCN2CCCCC2)C1 ZINC000585292003 570261256 /nfs/dbraw/zinc/26/12/56/570261256.db2.gz WNTJYPUDDRFPDK-CTNGQTDRSA-N 1 0 375.513 0.629 40 0 GCABRO COc1ccccc1CNC(=O)C(=O)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575616566 570357398 /nfs/dbraw/zinc/35/73/98/570357398.db2.gz QIMOMJZRAZMDEA-KRWDZBQOSA-N 1 0 375.469 0.929 40 0 GCABRO C/C=C(/C)C(=O)O[C@H]1CC[N@@H+]2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000033831575 570422559 /nfs/dbraw/zinc/42/25/59/570422559.db2.gz HRSGCYGUWHGOPY-RGIUITQUSA-N 1 0 397.468 0.305 40 0 GCABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)C1 ZINC000260458081 570492607 /nfs/dbraw/zinc/49/26/07/570492607.db2.gz XZFKAHCDASHHLZ-ZACQAIPSSA-N 1 0 388.578 0.989 40 0 GCABRO CN1[C@H](c2ccccn2)[C@@]2(CO)C[N@@H+](C)C[C@](CO)(C2O)[C@H]1c1ccccn1 ZINC000031795621 570506256 /nfs/dbraw/zinc/50/62/56/570506256.db2.gz QTBLVKOQTUDXKG-OWBSXZKWSA-N 1 0 384.480 0.468 40 0 GCABRO C[C@H](C(=O)NCCC[NH+](C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013595968 570853256 /nfs/dbraw/zinc/85/32/56/570853256.db2.gz AXQBKEQHTSKZTB-CYBMUJFWSA-N 1 0 385.486 0.680 40 0 GCABRO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000019663739 571026837 /nfs/dbraw/zinc/02/68/37/571026837.db2.gz XPAJNHODUYEDRF-CQSZACIVSA-N 1 0 394.497 0.752 40 0 GCABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNC(=O)c2ccc(OC)cc2)O[C@@H](CO)[C@H]1O ZINC000020465288 575367507 /nfs/dbraw/zinc/36/75/07/575367507.db2.gz SUWIEMBPUFARBL-GYFISPQKSA-N 1 0 394.468 0.025 40 0 biogenic,in-vitro GCABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNC(=O)Nc2ccccc2)O[C@@H](CO)[C@H]1O ZINC000020465313 575367975 /nfs/dbraw/zinc/36/79/75/575367975.db2.gz NBVJFRFUBZDJOJ-DFBDCSAJSA-N 1 0 379.457 0.408 40 0 biogenic,in-vitro GCABRO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000019401782 210249362 /nfs/dbraw/zinc/24/93/62/210249362.db2.gz NBUXWGMOZZSWHV-IBGZPJMESA-N 1 0 385.512 0.859 40 0 GCABRO CN(C)C(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585285258 530245055 /nfs/dbraw/zinc/24/50/55/530245055.db2.gz WUBIKFYSVIRZGQ-OAHLLOKOSA-N 1 0 375.535 0.353 40 0 GCABRO COc1ccc(S(=O)(=O)N(CC[NH3+])[C@@]2(C)CCS(=O)(=O)C2)c(OC)c1 ZINC000575426671 530690009 /nfs/dbraw/zinc/69/00/09/530690009.db2.gz YBQZEONAICZNIA-HNNXBMFYSA-N 1 0 392.499 0.230 40 0 GCABRO CN(C)c1cccc(C(=O)N[C@H]2CCc3ncc(C(=O)NCC[NH+](C)C)n3C2)c1 ZINC000306141323 212054670 /nfs/dbraw/zinc/05/46/70/212054670.db2.gz VRZSGXPSZICNJY-INIZCTEOSA-N 1 0 398.511 0.985 40 0 GCABRO C[C@@]1(O)CCN(C(=O)c2ccc(OCC[NH3+])cc2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257331971 212026649 /nfs/dbraw/zinc/02/66/49/212026649.db2.gz XVEBQAUYCRBRHL-DNVCBOLYSA-N 1 0 388.424 0.125 40 0 GCABRO Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[N@H+](C)CCO)cn1 ZINC000257320531 212023970 /nfs/dbraw/zinc/02/39/70/212023970.db2.gz VXFILZUCNBSVQH-ZRNYENFQSA-N 1 0 385.464 0.993 40 0 GCABRO CC[NH+](CC)CCOC(=O)CN(S(C)(=O)=O)S(=O)(=O)c1ccccc1 ZINC000005469562 204134057 /nfs/dbraw/zinc/13/40/57/204134057.db2.gz LINFLIYHVHVDQS-UHFFFAOYSA-N 1 0 392.499 0.522 40 0 GCABRO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)CC1 ZINC000257202145 212000967 /nfs/dbraw/zinc/00/09/67/212000967.db2.gz AKROBYLUKUOLEC-FQEVSTJZSA-N 1 0 391.516 0.477 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cccnn3)CC2)CC1 ZINC000257232560 212006443 /nfs/dbraw/zinc/00/64/43/212006443.db2.gz GLJPBRIRMAENTP-LJQANCHMSA-N 1 0 375.473 0.434 40 0 GCABRO CNC(=O)[C@@H](C1CCCCC1)[N@@H+]1CCC[C@H]1C(=O)NCCN1CCOCC1 ZINC000225401305 206045092 /nfs/dbraw/zinc/04/50/92/206045092.db2.gz JSCSJBSCJXELTF-ZWKOTPCHSA-N 1 0 380.533 0.594 40 0 biogenic,in-vitro GCABRO CC1CC[NH+]([C@H]2[C@@H](CNS(=O)(=O)c3ccccc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000030879770 206081366 /nfs/dbraw/zinc/08/13/66/206081366.db2.gz RMIBGFFIPVLSHO-VSZNYVQBSA-N 1 0 384.498 0.186 40 0 biogenic,in-vitro GCABRO CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH2+]C3CCOCC3)CN(C)C(=O)C2)CC1 ZINC000096113393 206117337 /nfs/dbraw/zinc/11/73/37/206117337.db2.gz FJKMLMWCJJSUDF-SJLPKXTDSA-N 1 0 380.533 0.546 40 0 biogenic,in-vitro GCABRO CC(=O)Nc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000257220400 206160705 /nfs/dbraw/zinc/16/07/05/206160705.db2.gz DKRCOEDOSQHXTH-FQEVSTJZSA-N 1 0 389.500 0.645 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)Cn3cccn3)CC2)CC1 ZINC000257293552 206174449 /nfs/dbraw/zinc/17/44/49/206174449.db2.gz QQAPFTRMEGDTTI-LJQANCHMSA-N 1 0 377.489 0.227 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000257303979 206176952 /nfs/dbraw/zinc/17/69/52/206176952.db2.gz SJONTKZJNMNTPL-FQEVSTJZSA-N 1 0 381.517 0.757 40 0 GCABRO CC(=O)N[C@]12CN(C(=O)C3CN(C(C)=O)C3)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257316541 206178902 /nfs/dbraw/zinc/17/89/02/206178902.db2.gz VGAKLSLEADUWKM-KCZVDYSFSA-N 1 0 398.507 0.875 40 0 GCABRO Cn1cc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)cn1 ZINC000306141057 206206753 /nfs/dbraw/zinc/20/67/53/206206753.db2.gz VKMYLVWLVZRZIS-IBGZPJMESA-N 1 0 398.492 0.796 40 0 GCABRO COc1ncccc1C[N@@H+]1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@H]2C1 ZINC000306135263 206203482 /nfs/dbraw/zinc/20/34/82/206203482.db2.gz OMBBUBWYYWGGGV-CVEARBPZSA-N 1 0 383.452 0.838 40 0 GCABRO O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]21)N1CCOCC1 ZINC000096251031 211324176 /nfs/dbraw/zinc/32/41/76/211324176.db2.gz GLLVRMDGKMDHQL-GUDVDZBRSA-N 1 0 392.521 0.823 40 0 GCABRO COc1ccc(CNC(=O)[C@@H]2CN(C(=O)C[NH+](C)C)Cc3cn(C)nc32)cc1 ZINC000072345632 211095429 /nfs/dbraw/zinc/09/54/29/211095429.db2.gz LGIPPYAXEVNFDY-QGZVFWFLSA-N 1 0 385.468 0.733 40 0 GCABRO C[N@@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)CN2CCCCCC2=O)CC3)C1 ZINC000019709281 210284842 /nfs/dbraw/zinc/28/48/42/210284842.db2.gz CTFDNYBAIPHTJW-MRXNPFEDSA-N 1 0 388.516 0.875 40 0 GCABRO CC1CC[NH+](CC(=O)N2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)CC1 ZINC000072346911 136168870 /nfs/dbraw/zinc/16/88/70/136168870.db2.gz SAOTVBNRHBZADC-UHFFFAOYSA-N 1 0 375.473 0.223 40 0 GCABRO Cn1cc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](C[NH2+]C4CCCCC4)[C@@H](O)[C@H]3O2)cn1 ZINC000225517211 560042250 /nfs/dbraw/zinc/04/22/50/560042250.db2.gz JPCBXLKJJOHEHL-PNDFQMOFSA-N 1 0 392.500 0.635 40 0 biogenic,in-vitro GCABRO CN1CCC([NH2+][C@@H]2[C@@H](c3ccc(N4CCOCC4)nc3)C[C@@H](O)[C@H]2O)CC1 ZINC000077262033 560046710 /nfs/dbraw/zinc/04/67/10/560046710.db2.gz QKDMDDHUHYFWHO-HNBVOPMISA-N 1 0 376.501 0.180 40 0 biogenic,in-vitro GCABRO C[NH+](C)CCNC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)CC3CC3)CC2)O1 ZINC000096243742 570223755 /nfs/dbraw/zinc/22/37/55/570223755.db2.gz RFWWUBPFWULYPI-MRXNPFEDSA-N 1 0 389.500 0.578 40 0 GCABRO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccc(OCCF)cc2)C[C@H]1O)c1cnc[nH]1 ZINC000585269637 570237239 /nfs/dbraw/zinc/23/72/39/570237239.db2.gz FECTYMOVOKIXPG-IEBWSBKVSA-N 1 0 392.431 0.486 40 0 GCABRO O=C(NC[C@]1(O)C[N@@H+](Cc2ccc(OCCF)cc2)C[C@H]1O)c1cscn1 ZINC000585270005 570238729 /nfs/dbraw/zinc/23/87/29/570238729.db2.gz AXYGPMNZKBKMMP-AEFFLSMTSA-N 1 0 395.456 0.829 40 0 GCABRO CC(=O)N(C)[C@H]1CCOC2(CC[NH+](CC3(O)CCN(C(C)=O)CC3)CC2)C1 ZINC000585282570 570250360 /nfs/dbraw/zinc/25/03/60/570250360.db2.gz HBOQLUPYNXQINE-SFHVURJKSA-N 1 0 381.517 0.852 40 0 GCABRO COc1cccc(N2CCC(O)(C[N@@H+]3C[C@@H]4OCC(=O)N(C)[C@H]4C3)CC2)c1 ZINC000585282507 570250524 /nfs/dbraw/zinc/25/05/24/570250524.db2.gz FIYSJVGNXMZECJ-ROUUACIJSA-N 1 0 375.469 0.568 40 0 GCABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(CO)CC2)[C@@H](O)C1 ZINC000585285483 570254893 /nfs/dbraw/zinc/25/48/93/570254893.db2.gz KBKBSAMWRGCYKS-ICSRJNTNSA-N 1 0 396.915 0.911 40 0 GCABRO C[NH+](C)[C@H]1CC2(CCN(C(=O)/C=C/CN3CCOCC3)CC2)OC[C@]1(C)O ZINC000585291730 570260429 /nfs/dbraw/zinc/26/04/29/570260429.db2.gz SLWLWLZOAFNQPG-GFXSFYIYSA-N 1 0 381.517 0.338 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674691 570274844 /nfs/dbraw/zinc/27/48/44/570274844.db2.gz ZJEIFNBWZMJZNZ-GJZGRUSLSA-N 1 0 376.388 0.306 40 0 GCABRO Cc1cccc(N(CC(=O)NCCCN2CCOCC2)S(C)(=O)=O)c1C ZINC000020567909 570280326 /nfs/dbraw/zinc/28/03/26/570280326.db2.gz SJCVCXANPQYXDN-UHFFFAOYSA-N 1 0 383.514 0.908 40 0 GCABRO CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022523480 570320257 /nfs/dbraw/zinc/32/02/57/570320257.db2.gz GLZXKBZYJMLNFX-UHFFFAOYSA-N 1 0 397.545 0.297 40 0 GCABRO COc1cccc(C2(O)CC[NH+](CCNC(=O)CN3CCN(C)CC3)CC2)c1 ZINC000022914943 570334721 /nfs/dbraw/zinc/33/47/21/570334721.db2.gz SUWCXFUTLCKWGA-UHFFFAOYSA-N 1 0 390.528 0.342 40 0 GCABRO C[C@H](C(=O)NCCCN1CC[NH+](C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000022934801 570337997 /nfs/dbraw/zinc/33/79/97/570337997.db2.gz ZIAARKYDYSPVEE-MRXNPFEDSA-N 1 0 382.530 0.595 40 0 GCABRO COc1ccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000022935165 570338219 /nfs/dbraw/zinc/33/82/19/570338219.db2.gz GLDTVTWZYUULKP-UHFFFAOYSA-N 1 0 398.529 0.215 40 0 GCABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](CCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000022457076 570347024 /nfs/dbraw/zinc/34/70/24/570347024.db2.gz HMSAIGOZLMKVAN-AHBSSGKESA-N 1 0 378.513 0.881 40 0 GCABRO CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CSC)C(N)=O ZINC000005460609 570440749 /nfs/dbraw/zinc/44/07/49/570440749.db2.gz XOOHSSFXDDVBAM-XZDPQHSOSA-N 1 0 394.541 0.420 40 0 GCABRO CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CSC)C(N)=O ZINC000005460614 570440867 /nfs/dbraw/zinc/44/08/67/570440867.db2.gz XOOHSSFXDDVBAM-DTZQCDIJSA-N 1 0 394.541 0.420 40 0 GCABRO COCCOc1cc(C[NH2+][C@@H]2C[C@@H](O)CN(C(C)=O)C[C@H]2O)ccc1OC ZINC000257220391 570487094 /nfs/dbraw/zinc/48/70/94/570487094.db2.gz DKPZBHMIPUHNJO-BRWVUGGUSA-N 1 0 382.457 0.153 40 0 GCABRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000012203794 570625497 /nfs/dbraw/zinc/62/54/97/570625497.db2.gz VUCZSENWCLPPGI-KBPBESRZSA-N 1 0 381.454 0.334 40 0 GCABRO CC(=O)N[C@H]1C[NH2+]C2(C1)CCN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 ZINC000019704254 570819674 /nfs/dbraw/zinc/81/96/74/570819674.db2.gz LYQJTZQXDVGYIY-CQSZACIVSA-N 1 0 395.481 0.479 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1cccc(Cl)c1 ZINC000013640109 570863198 /nfs/dbraw/zinc/86/31/98/570863198.db2.gz DHVRIOIHHNCQHE-GJZGRUSLSA-N 1 0 392.843 0.820 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640104 570863260 /nfs/dbraw/zinc/86/32/60/570863260.db2.gz DHVRIOIHHNCQHE-LSDHHAIUSA-N 1 0 392.843 0.820 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1cccc(Cl)c1 ZINC000013640102 570863265 /nfs/dbraw/zinc/86/32/65/570863265.db2.gz DHVRIOIHHNCQHE-HUUCEWRRSA-N 1 0 392.843 0.820 40 0 GCABRO O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585103640 570929154 /nfs/dbraw/zinc/92/91/54/570929154.db2.gz HTEWCSSRZWCSSP-JKSUJKDBSA-N 1 0 381.498 0.708 40 0 GCABRO CCC[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106056 570935968 /nfs/dbraw/zinc/93/59/68/570935968.db2.gz HZKJTFISMJNNDT-CABCVRRESA-N 1 0 378.498 0.693 40 0 GCABRO COc1nn(Cc2cc(=O)[nH]c(N(C)CC[NH+](C)C)n2)c(=O)c2ccccc21 ZINC000019717539 571040037 /nfs/dbraw/zinc/04/00/37/571040037.db2.gz MBAVWLOVUUYTJG-UHFFFAOYSA-N 1 0 384.440 0.947 40 0 GCABRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](CC1CCOCC1)C2 ZINC000096050466 571097077 /nfs/dbraw/zinc/09/70/77/571097077.db2.gz GMEWTZKYSZNZBG-LJQANCHMSA-N 1 0 375.473 0.486 40 0 GCABRO CN(CCc1ccccn1)[C@H]1[C@@H](C[NH2+]Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465918 575368477 /nfs/dbraw/zinc/36/84/77/575368477.db2.gz YCJAUJWMANRGLC-IVAOSVALSA-N 1 0 389.471 0.974 40 0 biogenic,in-vitro GCABRO C[N@@H+]1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2ncccn2)CC1 ZINC001772595181 1187049957 /nfs/dbraw/zinc/04/99/57/1187049957.db2.gz AGAPEFJEFZGAMT-MRXNPFEDSA-N 1 0 384.484 0.277 40 0 GCABRO C[N@@H+]1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(S(C)(=O)=O)CC1 ZINC001772595609 1187054344 /nfs/dbraw/zinc/05/43/44/1187054344.db2.gz HNYRDVVKNYVWJE-QGZVFWFLSA-N 1 0 392.525 0.397 40 0 GCABRO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](CCO)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019370362 210247089 /nfs/dbraw/zinc/24/70/89/210247089.db2.gz HMSAIGOZLMKVAN-ANPILNASSA-N 1 0 378.513 0.881 40 0 GCABRO O=S(=O)(NCC[NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000575420503 530688610 /nfs/dbraw/zinc/68/86/10/530688610.db2.gz CIVWJCZMEAMAPQ-NSHDSACASA-N 1 0 397.316 0.504 40 0 GCABRO O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298664 291102527 /nfs/dbraw/zinc/10/25/27/291102527.db2.gz BBDWLIBQDLHGNW-LZQZEXGQSA-N 1 0 387.459 0.979 40 0 biogenic,in-vitro GCABRO CC1(C)O[C@H]2O[C@H]3[C@@H](O[C@@H](c4ccccc4)O[C@H]3C[NH+](CCO)CCO)[C@H]2O1 ZINC000004777763 204075878 /nfs/dbraw/zinc/07/58/78/204075878.db2.gz JPIUOZKQJVBYHJ-QZIZDEJHSA-N 1 0 395.452 0.632 40 0 GCABRO O=c1[nH]c(=O)c2cc(S(=O)(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3CCO)ccc2[nH]1 ZINC000257255720 212013222 /nfs/dbraw/zinc/01/32/22/212013222.db2.gz KIPHIYDSGLRYDV-NEPJUHHUSA-N 1 0 394.453 0.261 40 0 GCABRO CNC(=O)[C@H]1C[N@@H+](C(C)C)CCN1C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000257262002 212012638 /nfs/dbraw/zinc/01/26/38/212012638.db2.gz LJQDPYYUVLTUGX-MRXNPFEDSA-N 1 0 381.498 0.300 40 0 GCABRO COc1ccc(CNC(=O)[C@H]2CN(C(=O)C[NH+](C)C)Cc3cn(C)nc32)cc1 ZINC000072345633 211095421 /nfs/dbraw/zinc/09/54/21/211095421.db2.gz LGIPPYAXEVNFDY-KRWDZBQOSA-N 1 0 385.468 0.733 40 0 GCABRO OC[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000020464776 210338011 /nfs/dbraw/zinc/33/80/11/210338011.db2.gz UWUPZQDVFGZLPC-CIAFKFPVSA-N 1 0 398.507 0.483 40 0 biogenic,in-vitro GCABRO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@H](C[NH+]4CCCC4)C3)cc2c(=O)[nH]1 ZINC000012362447 221185193 /nfs/dbraw/zinc/18/51/93/221185193.db2.gz GOPTXXVLNDSBJV-CYBMUJFWSA-N 1 0 392.481 0.713 40 0 GCABRO CCCCS(=O)(=O)N(C)CC(=O)N1CCN(c2cc(N(C)C)cn[nH+]2)CC1 ZINC000224316605 535329534 /nfs/dbraw/zinc/32/95/34/535329534.db2.gz INANQELFUZPCBY-UHFFFAOYSA-N 1 0 398.533 0.253 40 0 GCABRO C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2O)CC1 ZINC000514288881 560033828 /nfs/dbraw/zinc/03/38/28/560033828.db2.gz LAEPCODZOVVVTJ-HRCADAONSA-N 1 0 387.402 0.811 40 0 biogenic,in-vitro GCABRO COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](CC(C)C)C3)C2=O)cc1 ZINC000225388103 560043959 /nfs/dbraw/zinc/04/39/59/560043959.db2.gz AFXVKRXTXIJUMT-AEFFLSMTSA-N 1 0 387.480 0.710 40 0 biogenic,in-vitro GCABRO C[NH+]1CCC(NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)CC1 ZINC000019751293 570215546 /nfs/dbraw/zinc/21/55/46/570215546.db2.gz AHMLCOQNVDFHDY-UHFFFAOYSA-N 1 0 382.464 0.989 40 0 GCABRO CCN(c1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000096234485 570221828 /nfs/dbraw/zinc/22/18/28/570221828.db2.gz IVQOZUXXEWNAOF-UHFFFAOYSA-N 1 0 382.530 0.840 40 0 GCABRO CC(C)NC(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC[NH+](C)C)Cn1ccnc12 ZINC000096263216 570226454 /nfs/dbraw/zinc/22/64/54/570226454.db2.gz UFENRQNHECOVCN-OAHLLOKOSA-N 1 0 392.504 0.369 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585278658 570246431 /nfs/dbraw/zinc/24/64/31/570246431.db2.gz PWPOHYAFXPLEAB-HXUWFJFHSA-N 1 0 378.469 0.502 40 0 GCABRO CC(C)[NH+]1CCN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CC1 ZINC000585283108 570251148 /nfs/dbraw/zinc/25/11/48/570251148.db2.gz BWPPGNWHCUBBGC-FPOVZHCZSA-N 1 0 375.513 0.579 40 0 GCABRO CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585290477 570258475 /nfs/dbraw/zinc/25/84/75/570258475.db2.gz DRYAABLMKKZKAI-QDCDUMNASA-N 1 0 381.517 0.338 40 0 GCABRO COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020800252 570281254 /nfs/dbraw/zinc/28/12/54/570281254.db2.gz ULXBASMPUGCQQT-SFHVURJKSA-N 1 0 387.480 0.831 40 0 GCABRO Nc1ccccc1C(=O)NCCNCC[NH2+]CCNC(=O)c1ccccc1N ZINC000022577051 570322325 /nfs/dbraw/zinc/32/23/25/570322325.db2.gz CGXREWHIJMHERE-UHFFFAOYSA-N 1 0 384.484 0.190 40 0 GCABRO CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cccnc3OC)[C@@H](O)[C@H]2O1 ZINC000604381935 570353221 /nfs/dbraw/zinc/35/32/21/570353221.db2.gz VVYQEXGDEOMVDS-GRLWTPEZSA-N 1 0 379.457 0.382 40 0 biogenic,in-vitro GCABRO C[NH+]1CCN(CCCNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)CC1 ZINC000022829584 570377639 /nfs/dbraw/zinc/37/76/39/570377639.db2.gz CDWHCCIFWGPVDT-UHFFFAOYSA-N 1 0 386.493 0.345 40 0 GCABRO CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CSC)C(N)=O ZINC000005460615 570440898 /nfs/dbraw/zinc/44/08/98/570440898.db2.gz XOOHSSFXDDVBAM-LCGIIJARSA-N 1 0 394.541 0.420 40 0 GCABRO COc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1N1C(=O)CCC1=O ZINC000223221108 570450738 /nfs/dbraw/zinc/45/07/38/570450738.db2.gz RCSTXNHQTBXINR-UHFFFAOYSA-N 1 0 381.454 0.721 40 0 GCABRO CCOCCC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004897780 570636956 /nfs/dbraw/zinc/63/69/56/570636956.db2.gz CQZOEAFFLZUUEY-UHFFFAOYSA-N 1 0 383.514 0.844 40 0 GCABRO CCC[N@H+](CCO)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000010383992 570790077 /nfs/dbraw/zinc/79/00/77/570790077.db2.gz XDICOHKOYBJNCQ-INIZCTEOSA-N 1 0 376.457 0.047 40 0 GCABRO Cn1nnnc1SCc1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000013639793 570863228 /nfs/dbraw/zinc/86/32/28/570863228.db2.gz AZAQVVDUQPBTLQ-UHFFFAOYSA-N 1 0 398.496 0.908 40 0 GCABRO C[N@@H+]1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595573 1187054588 /nfs/dbraw/zinc/05/45/88/1187054588.db2.gz GXOHPVMJKRMOEO-VYDXJSESSA-N 1 0 397.472 0.541 40 0 GCABRO COc1ccccc1CNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1 ZINC000008298285 1197439437 /nfs/dbraw/zinc/43/94/37/1197439437.db2.gz DXYLHKJYJLLPTP-QGTPRVQTSA-N 1 0 385.468 0.806 40 0 biogenic,in-vitro GCABRO COc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710650 1199838078 /nfs/dbraw/zinc/83/80/78/1199838078.db2.gz SRUREDZKZXQLQL-CYBMUJFWSA-N 1 0 377.470 0.958 40 0 GCABRO O=C1C[C@H]([NH+]2CCC(C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)C(=O)N1 ZINC000015084287 210152360 /nfs/dbraw/zinc/15/23/60/210152360.db2.gz WRAJXKZKHQXLOD-INIZCTEOSA-N 1 0 398.529 0.166 40 0 GCABRO COc1ccc(OC)c(S(=O)(=O)NCC[NH2+][C@@]2(C)CCS(=O)(=O)C2)c1 ZINC000575420485 530688337 /nfs/dbraw/zinc/68/83/37/530688337.db2.gz CDWLMORBQWSNIH-HNNXBMFYSA-N 1 0 392.499 0.149 40 0 GCABRO C[C@]1(N(CC[NH3+])S(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1 ZINC000575424572 530689123 /nfs/dbraw/zinc/68/91/23/530689123.db2.gz BKFQDTLYGKHFIF-INIZCTEOSA-N 1 0 383.495 0.761 40 0 GCABRO CC(C)[C@H](NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(=O)N[C@H](C)C(N)=O ZINC000001611508 209333230 /nfs/dbraw/zinc/33/32/30/209333230.db2.gz PDGAIHURTAVSLJ-QAPCUYQASA-O 1 0 383.472 0.767 40 0 GCABRO CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ccc(CC[NH3+])cc3)[C@H]2O)CC1 ZINC000257296158 212019615 /nfs/dbraw/zinc/01/96/15/212019615.db2.gz RBMCMLFGKYFGMK-VAMGGRTRSA-N 1 0 388.512 0.364 40 0 GCABRO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257289303 212017700 /nfs/dbraw/zinc/01/77/00/212017700.db2.gz PYANXSYTQDXQRY-DZKIICNBSA-N 1 0 381.440 0.704 40 0 GCABRO CCOC(=O)N1CCN(C2=[NH+][C@@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1 ZINC000010157538 204331089 /nfs/dbraw/zinc/33/10/89/204331089.db2.gz OTBXWALYXXSIJE-GJZGRUSLSA-N 1 0 388.424 0.777 40 0 GCABRO [NH3+]Cc1ccc(C(=O)N2C[C@H](O)[C@@H](n3c(=O)[nH]c(=O)c4ccccc43)C2)cc1 ZINC000257229652 212007314 /nfs/dbraw/zinc/00/73/14/212007314.db2.gz FYYLYBGWKALJED-IRXDYDNUSA-N 1 0 380.404 0.619 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cccnn3)CC2)CC1 ZINC000257232559 212006666 /nfs/dbraw/zinc/00/66/66/212006666.db2.gz GLJPBRIRMAENTP-IBGZPJMESA-N 1 0 375.473 0.434 40 0 GCABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)COC[C@@H]3CCCCO3)C2)c2nccnc21 ZINC000019404377 204642529 /nfs/dbraw/zinc/64/25/29/204642529.db2.gz HLOITYYEAJNGCJ-GJZGRUSLSA-N 1 0 388.472 0.687 40 0 GCABRO Cn1ccnc1C[NH2+][C@@H]1C[C@H](COc2ccc(S(C)(=O)=O)cc2)[C@@H](O)[C@H]1O ZINC000225502886 206053891 /nfs/dbraw/zinc/05/38/91/206053891.db2.gz DSXOENKFJKOSNJ-QVDUIBETSA-N 1 0 395.481 0.103 40 0 biogenic,in-vitro GCABRO O=C(N[C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H]1O)c1cccnc1 ZINC000257279988 206171150 /nfs/dbraw/zinc/17/11/50/206171150.db2.gz OJASOFRYNWRGPY-IYWMVGAKSA-N 1 0 382.464 0.496 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cnn(C)c3)CC2)CC1 ZINC000257309874 206175761 /nfs/dbraw/zinc/17/57/61/206175761.db2.gz UCSXFZJTPCBEHF-IBGZPJMESA-N 1 0 377.489 0.378 40 0 GCABRO COc1cc(C)c(S(=O)(=O)N2C[C@H]3C[NH2+]CC[C@@]3(NC(C)=O)C2)cc1C ZINC000257309985 206176079 /nfs/dbraw/zinc/17/60/79/206176079.db2.gz UDEKOMCLVSUFDU-CRAIPNDOSA-N 1 0 381.498 0.801 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccnnc3)CC2)CC1 ZINC000257316284 206178762 /nfs/dbraw/zinc/17/87/62/206178762.db2.gz VEYAMKWMKHQVEW-IBGZPJMESA-N 1 0 375.473 0.434 40 0 GCABRO Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]2(CC[C@H](C[NH+](C)C)O2)C1 ZINC000306141031 206205409 /nfs/dbraw/zinc/20/54/09/206205409.db2.gz VJJVLKPTQGMCGH-NVXWUHKLSA-N 1 0 386.518 0.537 40 0 GCABRO Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]2(CC[C@H](C[NH+](C)C)O2)C1 ZINC000306141033 206206087 /nfs/dbraw/zinc/20/60/87/206206087.db2.gz VJJVLKPTQGMCGH-WBVHZDCISA-N 1 0 386.518 0.537 40 0 GCABRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)c1 ZINC000306126327 206196350 /nfs/dbraw/zinc/19/63/50/206196350.db2.gz DSSLZWLHMYVCGY-OAQYLSRUSA-N 1 0 398.463 0.999 40 0 GCABRO CCN1Cc2c(C(=O)N[C@@H]3CC[N@H+](C)C3)ncn2-c2ccccc2S1(=O)=O ZINC000096266130 211327761 /nfs/dbraw/zinc/32/77/61/211327761.db2.gz VKFZJPBYDYYONB-CYBMUJFWSA-N 1 0 389.481 0.830 40 0 GCABRO CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334492 211091749 /nfs/dbraw/zinc/09/17/49/211091749.db2.gz CFWQFAIQINSGTQ-PNLZDCPESA-N 1 0 398.507 0.836 40 0 GCABRO C[NH+]1CCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000020041977 210312098 /nfs/dbraw/zinc/31/20/98/210312098.db2.gz WCJJLMRCVJPVIX-UHFFFAOYSA-N 1 0 380.514 0.729 40 0 GCABRO Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc([C@H]2CCC[NH2+]2)n1 ZINC000019698002 210282394 /nfs/dbraw/zinc/28/23/94/210282394.db2.gz PHGGUNMMQJKXJT-QGZVFWFLSA-N 1 0 395.529 0.514 40 0 GCABRO OC[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000020464779 136202664 /nfs/dbraw/zinc/20/26/64/136202664.db2.gz UWUPZQDVFGZLPC-CLAROIROSA-N 1 0 398.507 0.483 40 0 biogenic,in-vitro GCABRO CC(C)(C)C(=O)NC[C@H]1O[C@H](Cc2cc(CN3CC[NH2+]CC3)on2)CC[C@@H]1O ZINC000225284715 560036242 /nfs/dbraw/zinc/03/62/42/560036242.db2.gz UEHWZGSILXZRNA-RYQLBKOJSA-N 1 0 394.516 0.693 40 0 biogenic,in-vitro GCABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2O)cc1 ZINC000077264799 560046464 /nfs/dbraw/zinc/04/64/64/560046464.db2.gz ALUMZSNAEQXVDR-KURKYZTESA-N 1 0 377.466 0.586 40 0 biogenic,in-vitro GCABRO CNC(=O)[C@@H](C1CCCCC1)[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCOC)CC1 ZINC000096113000 560061239 /nfs/dbraw/zinc/06/12/39/560061239.db2.gz AOOWQADRATUIKN-RBUKOAKNSA-N 1 0 394.560 0.936 40 0 biogenic,in-vitro GCABRO COc1ccc(CNC(=O)[C@H]2O[C@H](CC[NH+]3CCOCC3)CC[C@@H]2O)cc1 ZINC000030879372 560090077 /nfs/dbraw/zinc/09/00/77/560090077.db2.gz PLLPDAILPVSTLR-FHWLQOOXSA-N 1 0 378.469 0.942 40 0 biogenic,in-vitro GCABRO COCCN1C(=O)CCC[C@@H]2[C@H]1CCC[N@@H+]2CC1(O)CCN(C(C)=O)CC1 ZINC000585262787 570231301 /nfs/dbraw/zinc/23/13/01/570231301.db2.gz GBYAJHUVDMHIOO-QZTJIDSGSA-N 1 0 381.517 0.852 40 0 GCABRO CN1CCN(C[C@]2(O)CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000585272278 570242543 /nfs/dbraw/zinc/24/25/43/570242543.db2.gz KDJFJQQLIXAVIX-JOCHJYFZSA-N 1 0 388.556 0.703 40 0 GCABRO COc1cccc(N2CCC(O)(C[N@@H+]3CCN(C(C)=O)C[C@H](CO)C3)CC2)c1 ZINC000585283367 570251192 /nfs/dbraw/zinc/25/11/92/570251192.db2.gz NUDOBWYWRZKVAK-GOSISDBHSA-N 1 0 391.512 0.799 40 0 GCABRO C[NH+](C)CCCNC[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585285233 570254332 /nfs/dbraw/zinc/25/43/32/570254332.db2.gz POIGYLVYEMHRKC-HKUYNNGSSA-N 1 0 383.920 0.748 40 0 GCABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(CO)CC2)[C@@H](O)C1 ZINC000585289355 570257414 /nfs/dbraw/zinc/25/74/14/570257414.db2.gz FHBOYNGFHXWFTC-HKUYNNGSSA-N 1 0 382.888 0.982 40 0 GCABRO Cc1ccc(C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 ZINC000585291064 570259750 /nfs/dbraw/zinc/25/97/50/570259750.db2.gz JCDXMKWDIPNMEG-MOPGFXCFSA-N 1 0 376.478 0.881 40 0 GCABRO CC(C)C[N@H+](CCCO)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291098 570259899 /nfs/dbraw/zinc/25/98/99/570259899.db2.gz KCRIVDWQZYWXOF-MSOLQXFVSA-N 1 0 386.514 0.123 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000020636922 570273840 /nfs/dbraw/zinc/27/38/40/570273840.db2.gz VIFHQHJEURAUFJ-HZPDHXFCSA-N 1 0 388.424 0.175 40 0 GCABRO Cc1ccc(N([C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000022933753 570337578 /nfs/dbraw/zinc/33/75/78/570337578.db2.gz JCXOBKCKSDPLAR-QGZVFWFLSA-N 1 0 396.557 0.903 40 0 GCABRO COCCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H](NC(C)=O)[C@H](O)C2)ccc1OC ZINC000257315360 570487354 /nfs/dbraw/zinc/48/73/54/570487354.db2.gz VAZJHLKICCTXRR-BRWVUGGUSA-N 1 0 382.457 0.153 40 0 GCABRO [NH3+]CCCCCC(=O)N1CCOCCOCCOCCOCCOCC1 ZINC000006904627 570498486 /nfs/dbraw/zinc/49/84/86/570498486.db2.gz WAYXBDWYTRVTQW-UHFFFAOYSA-N 1 0 376.494 0.431 40 0 GCABRO CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254392 570525972 /nfs/dbraw/zinc/52/59/72/570525972.db2.gz PVVIUQWTKSXPIV-ZACQAIPSSA-N 1 0 397.483 0.303 40 0 biogenic,in-vitro GCABRO [NH3+][C@@H](C(=O)N1CCOCCOCCOCCOCCOCC1)c1ccccc1 ZINC000039988433 570741282 /nfs/dbraw/zinc/74/12/82/570741282.db2.gz JFOABEUBSGGURR-LJQANCHMSA-N 1 0 396.484 0.612 40 0 GCABRO CC[NH2+][C@@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2(C1)CCCCC2 ZINC000019703994 570897115 /nfs/dbraw/zinc/89/71/15/570897115.db2.gz NTVVMKRLPORPIV-ZDUSSCGKSA-N 1 0 384.502 0.159 40 0 GCABRO O=S(=O)(c1ccccn1)N1CCC2(CO[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC000585103638 570929145 /nfs/dbraw/zinc/92/91/45/570929145.db2.gz HTEWCSSRZWCSSP-HZPDHXFCSA-N 1 0 381.498 0.708 40 0 GCABRO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(S(=O)(=O)c2ccccn2)CC1 ZINC000585106173 570935963 /nfs/dbraw/zinc/93/59/63/570935963.db2.gz UZVFTKDQAGQRRK-CVEARBPZSA-N 1 0 392.525 0.939 40 0 GCABRO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCN(Cc2ccccn2)CC1 ZINC000019401785 570982908 /nfs/dbraw/zinc/98/29/08/570982908.db2.gz NBUXWGMOZZSWHV-LJQANCHMSA-N 1 0 385.512 0.859 40 0 GCABRO Cn1c2ncn(CCC(=O)NC(C)(C)C[NH+]3CCCCC3)c2c(=O)n(C)c1=O ZINC000019717262 571039407 /nfs/dbraw/zinc/03/94/07/571039407.db2.gz WOSOOPFKFQVHOA-UHFFFAOYSA-N 1 0 390.488 0.205 40 0 GCABRO C[N@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)C2CCCC2)O[C@@H](CO)[C@H]1O ZINC000020465746 575367880 /nfs/dbraw/zinc/36/78/80/575367880.db2.gz GTXPYSRKMGBSFM-FUMNGEBKSA-N 1 0 376.497 0.957 40 0 biogenic,in-vitro GCABRO COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CCN(C(=O)c1ccccc1)CC2 ZINC001772595336 1187053435 /nfs/dbraw/zinc/05/34/35/1187053435.db2.gz NNAYKUYDBKNZDM-GOSISDBHSA-N 1 0 386.496 0.724 40 0 GCABRO CN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](CC2(O)CCCCCC2)C1 ZINC000585285249 530245151 /nfs/dbraw/zinc/24/51/51/530245151.db2.gz WUBIKFYSVIRZGQ-HNNXBMFYSA-N 1 0 375.535 0.353 40 0 GCABRO COc1ccc(C)cc1S(=O)(=O)NCC[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000575420989 530687788 /nfs/dbraw/zinc/68/77/88/530687788.db2.gz HEZPAKMLTSLLCL-HNNXBMFYSA-N 1 0 376.500 0.449 40 0 GCABRO COc1ccc(S(=O)(=O)N(CC[NH3+])[C@]2(C)CCS(=O)(=O)C2)c(OC)c1 ZINC000575426672 530690345 /nfs/dbraw/zinc/69/03/45/530690345.db2.gz YBQZEONAICZNIA-OAHLLOKOSA-N 1 0 392.499 0.230 40 0 GCABRO C[N@@H+](CCc1ccccn1)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCOCC2)O1 ZINC000225284483 291100795 /nfs/dbraw/zinc/10/07/95/291100795.db2.gz ZRWOUJNHEFQDCA-FHWLQOOXSA-N 1 0 377.485 0.713 40 0 biogenic,in-vitro GCABRO COc1ccccc1CNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CCO)nn1 ZINC000008298252 291101865 /nfs/dbraw/zinc/10/18/65/291101865.db2.gz CUSXVLGJEXPUGN-IPELMVKDSA-N 1 0 399.495 0.848 40 0 biogenic,in-vitro GCABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)cc1 ZINC000306145029 212057254 /nfs/dbraw/zinc/05/72/54/212057254.db2.gz ZVJWSJSMZTWRQX-ZWKOTPCHSA-N 1 0 392.463 0.724 40 0 GCABRO CCCNC(=O)c1nnc2n1CC1(CC[NH+](Cc3cnn(C)c3)CC1)COC2 ZINC000306125007 212044599 /nfs/dbraw/zinc/04/45/99/212044599.db2.gz CELDJVYKPRIYPV-UHFFFAOYSA-N 1 0 387.488 0.964 40 0 GCABRO C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CN3CCN(CCO)CC3)CC[C@H]21 ZINC000257318112 212023894 /nfs/dbraw/zinc/02/38/94/212023894.db2.gz VMPAMLJPLREECE-NJDAHSKKSA-N 1 0 386.540 0.543 40 0 GCABRO Nc1ccc(S(=O)(=O)c2ccc(NCNc3nc(N)[nH+]c(N)n3)cc2)cc1 ZINC000004522561 204051417 /nfs/dbraw/zinc/05/14/17/204051417.db2.gz ALKZXFMOUFAICT-UHFFFAOYSA-N 1 0 386.441 0.933 40 0 GCABRO C[C@H](Cc1ccccc1)[N@H+](C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000005115943 204113087 /nfs/dbraw/zinc/11/30/87/204113087.db2.gz PDTADBTVZXKSJM-CQSZACIVSA-N 1 0 384.484 0.946 40 0 in-vitro GCABRO Cc1cc2ncc(C(=O)N3CCC[C@@](O)(C[NH+]4CCOCC4)CC3)c(N)n2n1 ZINC000257289219 212017539 /nfs/dbraw/zinc/01/75/39/212017539.db2.gz PXPNKPVRUMIJRX-IBGZPJMESA-N 1 0 388.472 0.309 40 0 GCABRO COc1ccc(C[N@@H+](Cc2c(C)n(C)c(=O)n(C)c2=O)C[C@H](C)O)cc1OC ZINC000012185518 204380285 /nfs/dbraw/zinc/38/02/85/204380285.db2.gz PVPOZPZUDJDRGW-ZDUSSCGKSA-N 1 0 391.468 0.793 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ncoc3C)CC2)CC1 ZINC000257260868 212012857 /nfs/dbraw/zinc/01/28/57/212012857.db2.gz LEULQATWSGTEFA-LJQANCHMSA-N 1 0 378.473 0.941 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cnc(C)cn3)CC2)CC1 ZINC000257242589 212008143 /nfs/dbraw/zinc/00/81/43/212008143.db2.gz IDFJSSBLAIKSPF-FQEVSTJZSA-N 1 0 389.500 0.743 40 0 GCABRO CC(=O)N1CCC[C@@H]1C(=O)N1CC(C(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000072344618 205329757 /nfs/dbraw/zinc/32/97/57/205329757.db2.gz ZLHYUXLGXOGRSR-LJQANCHMSA-N 1 0 386.496 0.834 40 0 GCABRO COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000225334631 206043043 /nfs/dbraw/zinc/04/30/43/206043043.db2.gz SQFMHZCOEYFWQS-UHFFFAOYSA-N 1 0 399.513 0.926 40 0 GCABRO Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCCC3)[C@@H](O)[C@H]2O1 ZINC000225520693 206055367 /nfs/dbraw/zinc/05/53/67/206055367.db2.gz DAVAHLWLEJTOQQ-HIBCTMLNSA-N 1 0 378.473 0.244 40 0 biogenic,in-vitro GCABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]C3CCN(C)CC3)[C@@H]2O)cc1 ZINC000096296138 206121883 /nfs/dbraw/zinc/12/18/83/206121883.db2.gz LTJSDSPDILAKBO-KURKYZTESA-N 1 0 383.514 0.085 40 0 biogenic,in-vitro GCABRO CC[NH+]1CCC(C(=O)N2CC3(C2)CN(CC2CC2)[C@@H](C(=O)NC)CO3)CC1 ZINC000249684730 206137848 /nfs/dbraw/zinc/13/78/48/206137848.db2.gz FAVSGWVCTZHBDI-QGZVFWFLSA-N 1 0 378.517 0.156 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cccc(=O)[nH]3)CC2)CC1 ZINC000257291251 206173618 /nfs/dbraw/zinc/17/36/18/206173618.db2.gz QGGFHGDENOGTRZ-HXUWFJFHSA-N 1 0 390.484 0.745 40 0 GCABRO O=C(CN1C(=O)CNC1=O)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257310402 206176510 /nfs/dbraw/zinc/17/65/10/206176510.db2.gz UEXUQSKFKHFEPR-MRXNPFEDSA-N 1 0 388.415 0.013 40 0 GCABRO O=C(CNC(=O)c1ccccc1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257240896 206163875 /nfs/dbraw/zinc/16/38/75/206163875.db2.gz HVPVEDZWBBJFKD-HXUWFJFHSA-N 1 0 375.469 0.492 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ncoc3C)CC2)CC1 ZINC000257260867 206168612 /nfs/dbraw/zinc/16/86/12/206168612.db2.gz LEULQATWSGTEFA-IBGZPJMESA-N 1 0 378.473 0.941 40 0 GCABRO CC(=O)N1CCN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1C(N)=O ZINC000257332481 206180072 /nfs/dbraw/zinc/18/00/72/206180072.db2.gz XXMGXVLQLQIFGM-IBGZPJMESA-N 1 0 386.496 0.486 40 0 GCABRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000057369658 206210418 /nfs/dbraw/zinc/21/04/18/206210418.db2.gz JLOYTZPZROZBLP-GFCCVEGCSA-N 1 0 391.449 0.857 40 0 GCABRO O=c1c(=O)n(Cc2ccncc2)nc2n1CC[C@]21CC[N@H+](Cc2cccnc2)C1 ZINC000306129560 206199208 /nfs/dbraw/zinc/19/92/08/206199208.db2.gz IGXRUDCVNIAOEI-NRFANRHFSA-N 1 0 390.447 0.791 40 0 GCABRO NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO ZINC000095951752 211285743 /nfs/dbraw/zinc/28/57/43/211285743.db2.gz ICYVAINGGCXNEB-HNNXBMFYSA-N 1 0 386.456 0.152 40 0 GCABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(CC(=O)N[C@@H](C)COC)CC2 ZINC000019711073 210286289 /nfs/dbraw/zinc/28/62/89/210286289.db2.gz VAQDIHCXJXIUIE-ZDUSSCGKSA-N 1 0 376.505 0.495 40 0 GCABRO COC(=O)c1cccc(CN2CC3(C2)C[N@H+](CCCO)C[C@@H]2C[C@@H](O)CN23)c1 ZINC000514290168 560030242 /nfs/dbraw/zinc/03/02/42/560030242.db2.gz UXQANVYUJVTTBT-RBUKOAKNSA-N 1 0 389.496 0.161 40 0 biogenic,in-vitro GCABRO COC(=O)c1cccc(CN2CC3(C2)C[N@H+](CCCO)C[C@H]2C[C@@H](O)CN23)c1 ZINC000514290170 560030271 /nfs/dbraw/zinc/03/02/71/560030271.db2.gz UXQANVYUJVTTBT-RTBURBONSA-N 1 0 389.496 0.161 40 0 biogenic,in-vitro GCABRO COCc1cn(C[C@H]2C[C@@H]([NH2+]Cc3cn(C)c4ccccc34)[C@H](O)[C@@H]2O)nn1 ZINC000225501773 560042368 /nfs/dbraw/zinc/04/23/68/560042368.db2.gz RICBGTYILVSNIO-HSGBFHSBSA-N 1 0 385.468 0.816 40 0 biogenic,in-vitro GCABRO CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3cnc4ccccc4c3)[C@@H]2O)CC1 ZINC000022920754 560091973 /nfs/dbraw/zinc/09/19/73/560091973.db2.gz QQEIZCXKPWBDFH-SSSFQFABSA-N 1 0 384.480 0.425 40 0 biogenic,in-vitro GCABRO COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CC[NH+](C)C)[C@H]2O)cc1 ZINC000020463958 560092723 /nfs/dbraw/zinc/09/27/23/560092723.db2.gz RXXQJQDZMVGLPX-HSFUPAIVSA-N 1 0 394.472 0.163 40 0 biogenic,in-vitro GCABRO COCCOc1cc(C[N@@H+]2CC[C@@](O)(CN3CCOCC3)C2)ccc1OC ZINC000585269588 570237750 /nfs/dbraw/zinc/23/77/50/570237750.db2.gz AASWYQNQYJHFJX-HXUWFJFHSA-N 1 0 380.485 0.989 40 0 GCABRO CN1CCN([C@H]2C[N@H+](Cc3ccc(OCCn4cccn4)cc3)C[C@@H]2O)CC1 ZINC000585270586 570239330 /nfs/dbraw/zinc/23/93/30/570239330.db2.gz MWFBBPUVPSQIML-SFTDATJTSA-N 1 0 385.512 0.755 40 0 GCABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCN2CCCC2)[C@@H](O)C1 ZINC000585283212 570251121 /nfs/dbraw/zinc/25/11/21/570251121.db2.gz DEJQDADAVMTBIC-HKUYNNGSSA-N 1 0 381.904 0.963 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(C)cc3)C2)CC1 ZINC000585284222 570253427 /nfs/dbraw/zinc/25/34/27/570253427.db2.gz VVGSOQHEWAXPNU-FPOVZHCZSA-N 1 0 392.496 0.545 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585284872 570254187 /nfs/dbraw/zinc/25/41/87/570254187.db2.gz ABSMEJQOUIEKLB-HXUWFJFHSA-N 1 0 396.459 0.641 40 0 GCABRO O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCN2CCOCC2)[C@@H](O)C1 ZINC000585286333 570255706 /nfs/dbraw/zinc/25/57/06/570255706.db2.gz YZFCKUOXKJATNJ-HKUYNNGSSA-N 1 0 397.903 0.200 40 0 GCABRO CC(C)[NH+]1CCN(C[C@]2(O)CN(C(=O)CCc3ccccc3)C[C@H]2O)CC1 ZINC000585291215 570259783 /nfs/dbraw/zinc/25/97/83/570259783.db2.gz LSLSBHDEQAGDPV-CTNGQTDRSA-N 1 0 375.513 0.579 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000020637054 570273836 /nfs/dbraw/zinc/27/38/36/570273836.db2.gz NYJINFLWUYXNNF-HUUCEWRRSA-N 1 0 392.843 0.820 40 0 GCABRO COCC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)c4ccc(OC)cc4)CC3)[C@@H]2C1 ZINC000107180121 570308657 /nfs/dbraw/zinc/30/86/57/570308657.db2.gz WHIIECUFTKAPKV-ZWKOTPCHSA-N 1 0 387.480 0.994 40 0 GCABRO C[NH+]1CCC(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000113958672 570336709 /nfs/dbraw/zinc/33/67/09/570336709.db2.gz XMYFUUAGLPABDN-UHFFFAOYSA-N 1 0 381.498 0.673 40 0 GCABRO Cc1cccc(C)c1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022934633 570338265 /nfs/dbraw/zinc/33/82/65/570338265.db2.gz KAZLNYKIAXDQAZ-UHFFFAOYSA-N 1 0 396.557 0.823 40 0 GCABRO C[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)N(c1ccccc1)S(C)(=O)=O ZINC000022934805 570338354 /nfs/dbraw/zinc/33/83/54/570338354.db2.gz ZIAARKYDYSPVEE-INIZCTEOSA-N 1 0 382.530 0.595 40 0 GCABRO O=C(N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1COCCN12)N1CCOCC1 ZINC000604381882 570352797 /nfs/dbraw/zinc/35/27/97/570352797.db2.gz STAZLLUQZFWTJR-LJQANCHMSA-N 1 0 386.496 0.710 40 0 biogenic,in-vitro GCABRO CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000035375350 570363723 /nfs/dbraw/zinc/36/37/23/570363723.db2.gz HWFXDYWQMGAYIQ-DDRWEVQISA-N 1 0 384.436 0.471 40 0 GCABRO CC1(C)O[C@H]2O[C@H]3[C@H](O[C@@H](c4ccccc4)O[C@H]3C[NH+](CCO)CCO)[C@@H]2O1 ZINC000004777762 570405347 /nfs/dbraw/zinc/40/53/47/570405347.db2.gz JPIUOZKQJVBYHJ-CABLIKTCSA-N 1 0 395.452 0.632 40 0 GCABRO O=C(COc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1)N1CCCC1 ZINC000257273834 570488722 /nfs/dbraw/zinc/48/87/22/570488722.db2.gz NIKXATUGNBJZTN-PMACEKPBSA-N 1 0 389.496 0.565 40 0 GCABRO Cc1ccc(Cn2c3c(nc2N2CCC[NH2+]CC2)n(C)c(=O)n(C)c3=O)cc1 ZINC000008701222 570537573 /nfs/dbraw/zinc/53/75/73/570537573.db2.gz BVVKFKAUIJKORU-UHFFFAOYSA-N 1 0 382.468 0.590 40 0 GCABRO COC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000010157545 570566294 /nfs/dbraw/zinc/56/62/94/570566294.db2.gz QAHLLXMHQUEZSI-CVEARBPZSA-N 1 0 394.435 0.615 40 0 GCABRO C[NH+](C)[C@H](CNC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000012203808 570625666 /nfs/dbraw/zinc/62/56/66/570625666.db2.gz VUCZSENWCLPPGI-ZIAGYGMSSA-N 1 0 381.454 0.334 40 0 GCABRO CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(CN(C)S(=O)(=O)N2CCOCC2)n1 ZINC000019710019 571033967 /nfs/dbraw/zinc/03/39/67/571033967.db2.gz UPCFIPVXCQVPDR-CQSZACIVSA-N 1 0 398.533 0.018 40 0 GCABRO NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]1)C(=O)NCCO 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40 0 GCABRO [NH3+]CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)cc1 ZINC000257314309 212024399 /nfs/dbraw/zinc/02/43/99/212024399.db2.gz UWIXKTMQYBEKLD-MAUKXSAKSA-N 1 0 381.436 0.742 40 0 GCABRO COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cn[nH]c3)[C@H]([N@H+](C)CCO)[C@H]2O)c1 ZINC000257311011 212021169 /nfs/dbraw/zinc/02/11/69/212021169.db2.gz UHNYMCGOVIJJRJ-BDXSIMOUSA-N 1 0 390.440 0.022 40 0 GCABRO CN1[C@@H]2CC[N@@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCOCC1 ZINC000035442510 204219767 /nfs/dbraw/zinc/21/97/67/204219767.db2.gz ZOHMUWATTOVSCX-NSHGMRRFSA-N 1 0 392.544 0.831 40 0 biogenic,in-vitro GCABRO Cc1cccc(Cn2c3c(nc2N2CCC[NH2+]CC2)n(C)c(=O)n(C)c3=O)c1 ZINC000008701223 204283301 /nfs/dbraw/zinc/28/33/01/204283301.db2.gz AOYOKQBXEMCBEF-UHFFFAOYSA-N 1 0 382.468 0.590 40 0 GCABRO Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2cccnc2)[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000257275644 212016179 /nfs/dbraw/zinc/01/61/79/212016179.db2.gz NQFNPXDMSJXSDU-YSHGAJCASA-N 1 0 385.468 0.980 40 0 GCABRO 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HEBCQJIUHNXGRX-IAGOWNOFSA-N 1 0 390.532 0.301 40 0 biogenic,in-vitro GCABRO CS(=O)(=O)NCC(=O)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257279568 206171516 /nfs/dbraw/zinc/17/15/16/206171516.db2.gz OHGBTPGPKIICPT-CQSZACIVSA-N 1 0 383.461 0.010 40 0 GCABRO C[NH2+]CCOc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1 ZINC000257279584 206171729 /nfs/dbraw/zinc/17/17/29/206171729.db2.gz OHHTXSMEKDSKDC-GUDVDZBRSA-N 1 0 377.485 0.581 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccncn3)CC2)CC1 ZINC000257234782 206164539 /nfs/dbraw/zinc/16/45/39/206164539.db2.gz GVCBZMKTLUMHHJ-IBGZPJMESA-N 1 0 375.473 0.434 40 0 GCABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1cn[nH]c1 ZINC000257258084 206168738 /nfs/dbraw/zinc/16/87/38/206168738.db2.gz KSIXREPHQLACKV-YRXWBPOGSA-N 1 0 386.452 0.546 40 0 GCABRO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CC[N@H+](Cc2ccccn2)C1 ZINC000306140473 206205973 /nfs/dbraw/zinc/20/59/73/206205973.db2.gz UUMUXYXLXXQCID-OAQYLSRUSA-N 1 0 390.447 0.791 40 0 GCABRO COCCNC(=O)c1ccc2ccc(N3CCN(C(=O)C[NH+](C)C)CC3)n2c1 ZINC000096267380 211328705 /nfs/dbraw/zinc/32/87/05/211328705.db2.gz WJVASNMINOCLBN-UHFFFAOYSA-N 1 0 387.484 0.526 40 0 GCABRO CC[N@@H+]1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3ccncn3)CC[C@@H]12 ZINC000096263643 211326605 /nfs/dbraw/zinc/32/66/05/211326605.db2.gz SOLOBZHWAPXWOS-YLJYHZDGSA-N 1 0 387.484 0.652 40 0 GCABRO CC(C)(C)NC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@]12Cc1ccccc1C(=O)N2 ZINC000072334493 211092131 /nfs/dbraw/zinc/09/21/31/211092131.db2.gz CFWQFAIQINSGTQ-GSHUGGBRSA-N 1 0 398.507 0.836 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(Cl)cc1 ZINC000020637056 210353455 /nfs/dbraw/zinc/35/34/55/210353455.db2.gz NYJINFLWUYXNNF-LSDHHAIUSA-N 1 0 392.843 0.820 40 0 GCABRO Cc1c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(=O)n(C)c(=O)n1C ZINC000012122392 221155031 /nfs/dbraw/zinc/15/50/31/221155031.db2.gz CWYUKEHQEOOZHR-UHFFFAOYSA-N 1 0 394.435 0.508 40 0 GCABRO COc1ccc(C[N@@H+](Cc2c(C)n(C)c(=O)n(C)c2=O)C[C@@H](C)O)cc1OC ZINC000012185513 221163898 /nfs/dbraw/zinc/16/38/98/221163898.db2.gz PVPOZPZUDJDRGW-CYBMUJFWSA-N 1 0 391.468 0.793 40 0 GCABRO COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C3CCN(C(C)=O)CC3)O2)no1 ZINC000077262717 560046517 /nfs/dbraw/zinc/04/65/17/560046517.db2.gz URRKNWFXTVIEPQ-YTQUADARSA-N 1 0 381.473 0.873 40 0 biogenic,in-vitro GCABRO COc1ccc(CNC(=O)[C@H]2O[C@H](CC[NH+]3CCN(C)CC3)CC[C@@H]2O)cc1 ZINC000030879401 560090022 /nfs/dbraw/zinc/09/00/22/560090022.db2.gz CGJLFKYMLCVOHD-UFYCRDLUSA-N 1 0 391.512 0.857 40 0 biogenic,in-vitro GCABRO CC(C)[C@H](CO)Nc1nc(NCCN2CC[NH+](C)CC2)cc(C(F)(F)F)n1 ZINC000328994517 570211200 /nfs/dbraw/zinc/21/12/00/570211200.db2.gz JFEBZQVQNMABRT-ZDUSSCGKSA-N 1 0 390.454 0.427 40 0 GCABRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 ZINC000019750972 570215550 /nfs/dbraw/zinc/21/55/50/570215550.db2.gz TWUONJCFKNTMMP-GOSISDBHSA-N 1 0 382.464 0.989 40 0 GCABRO CC(=O)NCC(=O)N1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000096242443 570222951 /nfs/dbraw/zinc/22/29/51/570222951.db2.gz SEYRKGDUMHVILI-UHFFFAOYSA-N 1 0 386.496 0.587 40 0 GCABRO O=C(NC[C@]1(O)C[N@@H+](Cc2ccc(OCCF)cc2)C[C@H]1O)c1ccccn1 ZINC000585271316 570239799 /nfs/dbraw/zinc/23/97/99/570239799.db2.gz WDOKLRLCWLFBGN-QUCCMNQESA-N 1 0 389.427 0.768 40 0 GCABRO COc1cc(CN2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OCC[NH+](C)C ZINC000585274392 570243354 /nfs/dbraw/zinc/24/33/54/570243354.db2.gz VXBWWTRVVITNGK-WOJBJXKFSA-N 1 0 395.500 0.069 40 0 GCABRO CC(C)[NH+]1CCN(C[C@@]2(O)CN(C(=O)CCc3ccccc3)CC[C@@H]2O)CC1 ZINC000585283139 570251432 /nfs/dbraw/zinc/25/14/32/570251432.db2.gz CHHRNIWWRNKVMU-RBBKRZOGSA-N 1 0 389.540 0.970 40 0 GCABRO COCCN1C(=O)CO[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]21 ZINC000585290082 570257818 /nfs/dbraw/zinc/25/78/18/570257818.db2.gz ZRRXPXYJAMCKSI-ZFORQUDYSA-N 1 0 390.480 0.905 40 0 GCABRO C[N@H+](Cc1ccccc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585290735 570259417 /nfs/dbraw/zinc/25/94/17/570259417.db2.gz WBNULEIBRXAYMZ-MOPGFXCFSA-N 1 0 376.478 0.915 40 0 GCABRO Cc1ccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)c(C)c1 ZINC000022829556 570330229 /nfs/dbraw/zinc/33/02/29/570330229.db2.gz BZYRARLBHUWDHS-UHFFFAOYSA-N 1 0 396.557 0.823 40 0 GCABRO Cc1ccc(C)c(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000022934752 570338307 /nfs/dbraw/zinc/33/83/07/570338307.db2.gz YMIUGZAQCQGLAT-UHFFFAOYSA-N 1 0 396.557 0.823 40 0 GCABRO O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)NCCN1CCOCC1 ZINC000219439971 570360963 /nfs/dbraw/zinc/36/09/63/570360963.db2.gz FTKQJVZJRIKRMP-UHFFFAOYSA-N 1 0 381.454 0.060 40 0 GCABRO COc1ccc(C[NH2+]CCn2c(C)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 ZINC000023989758 570376269 /nfs/dbraw/zinc/37/62/69/570376269.db2.gz KTZSVEUWFWDYLV-UHFFFAOYSA-N 1 0 396.451 0.793 40 0 GCABRO C[NH+]1CCN(CCCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)CC1 ZINC000022829579 570377666 /nfs/dbraw/zinc/37/76/66/570377666.db2.gz YOFUIWZPWFWOEA-UHFFFAOYSA-N 1 0 386.493 0.345 40 0 GCABRO CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CSC)C(N)=O ZINC000005460606 570440910 /nfs/dbraw/zinc/44/09/10/570440910.db2.gz XOOHSSFXDDVBAM-MIGQKNRLSA-N 1 0 394.541 0.420 40 0 GCABRO OCCOCCOc1ccc(C[NH2+]C[C@@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257328938 570486901 /nfs/dbraw/zinc/48/69/01/570486901.db2.gz XHSAVVVOTAGACG-FQEVSTJZSA-N 1 0 388.468 0.595 40 0 GCABRO Cn1ccnc1COc1ccc(C[N@H+]2C[C@@H](N3CCN(C)CC3)[C@@H](O)C2)cc1 ZINC000257234912 570487715 /nfs/dbraw/zinc/48/77/15/570487715.db2.gz GVOVOUDRVQXMAU-UXHICEINSA-N 1 0 385.512 0.792 40 0 GCABRO CN1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCOCCO)cc3)C2)CC1 ZINC000257252437 570487780 /nfs/dbraw/zinc/48/77/80/570487780.db2.gz JUTSZCNZBKGRSS-NRFANRHFSA-N 1 0 393.528 0.259 40 0 GCABRO COC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000010157547 570566420 /nfs/dbraw/zinc/56/64/20/570566420.db2.gz QAHLLXMHQUEZSI-HZPDHXFCSA-N 1 0 394.435 0.615 40 0 GCABRO Cc1snnc1C(=O)N1Cc2nnn(C)c2[C@@H](COCC[NH+]2CCCC2)C1 ZINC000585110916 570944440 /nfs/dbraw/zinc/94/44/40/570944440.db2.gz ZCBZKFPDNFAQJD-CYBMUJFWSA-N 1 0 391.501 0.827 40 0 GCABRO COC[C@H]1CCC[N@@H+]1[C@H]1[C@@H](CNC(=O)c2cccc(F)c2)O[C@@H](CO)[C@H]1O ZINC000020465279 575367515 /nfs/dbraw/zinc/36/75/15/575367515.db2.gz SZEXWBRCHLQTNA-DFBDCSAJSA-N 1 0 382.432 0.156 40 0 biogenic,in-vitro GCABRO Cc1c(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)cnn1C(F)F ZINC000019553047 530146788 /nfs/dbraw/zinc/14/67/88/530146788.db2.gz XYNCZGUMXOFCGB-UHFFFAOYSA-N 1 0 377.461 0.987 40 0 GCABRO O=S(=O)(NCC[NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cc1 ZINC000575420502 530688861 /nfs/dbraw/zinc/68/88/61/530688861.db2.gz CIVWJCZMEAMAPQ-LLVKDONJSA-N 1 0 397.316 0.504 40 0 GCABRO CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C(C)(C)C)nn1 ZINC000008299085 291099612 /nfs/dbraw/zinc/09/96/12/291099612.db2.gz SPBKBDMODIUIFB-OAGGEKHMSA-N 1 0 376.505 0.538 40 0 biogenic,in-vitro GCABRO S=C(NCCN1CCOCC1)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCC1 ZINC000020503828 291103321 /nfs/dbraw/zinc/10/33/21/291103321.db2.gz CZBUPAOLUAKMKN-GBESFXJTSA-N 1 0 395.617 0.589 40 0 biogenic,in-vitro GCABRO C[NH+](C)CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)ncn1 ZINC000329056745 212095314 /nfs/dbraw/zinc/09/53/14/212095314.db2.gz VUMMUVXYEMKPNR-UHFFFAOYSA-N 1 0 376.486 0.660 40 0 GCABRO CN1c2ccc(Cl)cc2-c2nn(CC[NH+]3CCCC3)c(=O)c(=O)n2CC1=O ZINC000001849770 206392994 /nfs/dbraw/zinc/39/29/94/206392994.db2.gz QMNIMNZZZDRLEY-UHFFFAOYSA-N 1 0 389.843 0.798 40 0 GCABRO Cc1nc(N(C)C)ncc1C(=O)N(CCN1CCOCC1)C1CC[NH+](C)CC1 ZINC000019552685 207132220 /nfs/dbraw/zinc/13/22/20/207132220.db2.gz MTMHZWPEEOMTTA-UHFFFAOYSA-N 1 0 390.532 0.720 40 0 GCABRO CCN(CC)S(=O)(=O)N1CCC[C@H](c2nc3c(c(NC)n2)C[NH2+]CC3)C1 ZINC000019711495 207152934 /nfs/dbraw/zinc/15/29/34/207152934.db2.gz NTDPVAXTKCVHRI-ZDUSSCGKSA-N 1 0 382.534 0.930 40 0 GCABRO Cc1nc(N2CCOCC2)sc1C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019715767 207154764 /nfs/dbraw/zinc/15/47/64/207154764.db2.gz OLEZAAZFSBINIE-UHFFFAOYSA-N 1 0 379.486 0.804 40 0 GCABRO Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@@H]3CCCC[N@H+]3C)c2=O)no1 ZINC000019750199 207159928 /nfs/dbraw/zinc/15/99/28/207159928.db2.gz CIIPFXOOEQLLMP-AWEZNQCLSA-N 1 0 387.440 0.998 40 0 GCABRO CCN1C(=O)C[C@@H]([NH2+]C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1=O ZINC000020608734 207206930 /nfs/dbraw/zinc/20/69/30/207206930.db2.gz QSPGJZDJCAIZFG-MRXNPFEDSA-N 1 0 395.481 0.585 40 0 GCABRO C[NH+](C)CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030758335 207374552 /nfs/dbraw/zinc/37/45/52/207374552.db2.gz MQAXCIDJRWRLSM-AWEZNQCLSA-N 1 0 375.878 0.935 40 0 GCABRO Cn1cc(C[N@@H+]2CC[C@@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cn1 ZINC000306126852 209097464 /nfs/dbraw/zinc/09/74/64/209097464.db2.gz FHFAZBLJQBRBDT-HXUWFJFHSA-N 1 0 393.451 0.129 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cnc(C)nc3)CC2)CC1 ZINC000257201420 209055671 /nfs/dbraw/zinc/05/56/71/209055671.db2.gz AHQMAJPLQLFRSJ-HXUWFJFHSA-N 1 0 389.500 0.743 40 0 GCABRO O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1 ZINC000008627172 221047838 /nfs/dbraw/zinc/04/78/38/221047838.db2.gz ZNCXLQIFFRCRHD-KVPLUYHFSA-N 1 0 389.427 0.506 40 0 biogenic,in-vitro GCABRO CN(C)C(=O)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000012124911 221155338 /nfs/dbraw/zinc/15/53/38/221155338.db2.gz ARQGZHVMUPDOPX-CDMIOBSGSA-N 1 0 398.507 0.648 40 0 GCABRO C[NH+](C)[C@@H](CNC(=O)[C@H]1C=CCN1S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000012203802 221167857 /nfs/dbraw/zinc/16/78/57/221167857.db2.gz VUCZSENWCLPPGI-KGLIPLIRSA-N 1 0 381.454 0.334 40 0 GCABRO CC(=O)N1CC[C@H](c2nn(CCNC(=O)C[NH+]3CCCC3)c3ncccc23)C1 ZINC000019016541 221393963 /nfs/dbraw/zinc/39/39/63/221393963.db2.gz QSXHCWZUQGSSEK-INIZCTEOSA-N 1 0 384.484 0.979 40 0 GCABRO Cc1cn([C@@H]2CN(C(=O)c3ccc(OCCC[NH3+])cc3)C[C@H]2O)c(=O)[nH]c1=O ZINC000257292212 209069391 /nfs/dbraw/zinc/06/93/91/209069391.db2.gz QKMHLEIMQHJXDX-HZPDHXFCSA-N 1 0 388.424 0.043 40 0 GCABRO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O ZINC000257289304 209069764 /nfs/dbraw/zinc/06/97/64/209069764.db2.gz PYANXSYTQDXQRY-YCPHGPKFSA-N 1 0 381.440 0.704 40 0 GCABRO Cn1cccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(c3ccccc3)CC2)[C@H]1O ZINC000096533304 136187294 /nfs/dbraw/zinc/18/72/94/136187294.db2.gz FLKFSFPEXGEZRL-CSEOROSGSA-N 1 0 398.507 0.790 40 0 biogenic,in-vitro GCABRO O=S(=O)(c1cccs1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000224326933 136206934 /nfs/dbraw/zinc/20/69/34/136206934.db2.gz QXTCQBLHELPHRG-UHFFFAOYSA-N 1 0 395.510 0.886 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccnnc3)CC2)CC1 ZINC000257316285 209074380 /nfs/dbraw/zinc/07/43/80/209074380.db2.gz VEYAMKWMKHQVEW-LJQANCHMSA-N 1 0 375.473 0.434 40 0 GCABRO Cn1c2nc(N3CC[NH2+]CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000062720592 222065116 /nfs/dbraw/zinc/06/51/16/222065116.db2.gz KOBCHFXBCTVJAI-UHFFFAOYSA-N 1 0 382.468 0.476 40 0 GCABRO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000062720588 222066241 /nfs/dbraw/zinc/06/62/41/222066241.db2.gz HINZOWFJNUOZBT-UHFFFAOYSA-N 1 0 388.859 0.545 40 0 GCABRO CNC(=O)[C@@H](c1ccc(OC)cc1)N1CCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000096113012 222382436 /nfs/dbraw/zinc/38/24/36/222382436.db2.gz GFCHOLPAQTUBCN-ZWKOTPCHSA-N 1 0 376.501 0.967 40 0 biogenic,in-vitro GCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NCc2ccc(S(C)(=O)=O)cc2)[C@H]1O ZINC000514289146 560033136 /nfs/dbraw/zinc/03/31/36/560033136.db2.gz VVORJFGQMDGTAQ-XGXHKWSGSA-N 1 0 398.525 0.419 40 0 biogenic,in-vitro GCABRO Cc1cccnc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O ZINC000225511361 560042353 /nfs/dbraw/zinc/04/23/53/560042353.db2.gz PGCTUGMDSLWRTI-UZKILMIQSA-N 1 0 391.468 0.014 40 0 biogenic,in-vitro GCABRO COCc1cn(C[C@H]2C[C@@H]([NH2+]Cc3cccc4c3OCO4)[C@H](O)[C@@H]2O)nn1 ZINC000225501675 560042360 /nfs/dbraw/zinc/04/23/60/560042360.db2.gz PVWLPWQJQFGQHE-WNOSKKOXSA-N 1 0 376.413 0.053 40 0 biogenic,in-vitro GCABRO COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C(C)C)[N@@H+]1C ZINC000035442559 560079925 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0.973 40 0 GCABRO COc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1Br ZINC000022913011 530496897 /nfs/dbraw/zinc/49/68/97/530496897.db2.gz SFXCOTAYVSGEIE-UHFFFAOYSA-N 1 0 392.319 0.983 40 0 GCABRO C[C@]1([NH2+]CCNS(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1 ZINC000575426242 530689870 /nfs/dbraw/zinc/68/98/70/530689870.db2.gz PKFHCYITVLWASF-INIZCTEOSA-N 1 0 383.495 0.680 40 0 GCABRO CC1CC[NH+]([C@H]2[C@@H](CNS(=O)(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465997 530918841 /nfs/dbraw/zinc/91/88/41/530918841.db2.gz MYDDSIGMUZDKLG-BFJAYTPKSA-N 1 0 390.527 0.248 40 0 biogenic,in-vitro GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cnccn3)CC2)CC1 ZINC000257282961 222769643 /nfs/dbraw/zinc/76/96/43/222769643.db2.gz OWAYIJKNBGCETB-IBGZPJMESA-N 1 0 375.473 0.434 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)CCn3ccnc3)CC2)CC1 ZINC000257328311 222776295 /nfs/dbraw/zinc/77/62/95/222776295.db2.gz XFCGKRLBNLUELK-FQEVSTJZSA-N 1 0 391.516 0.617 40 0 GCABRO CCCCc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NCCNC(C)=O)nn1 ZINC000008299097 291100819 /nfs/dbraw/zinc/10/08/19/291100819.db2.gz DTXWRQAEWJXMGT-JQHSSLGASA-N 1 0 376.505 0.583 40 0 biogenic,in-vitro GCABRO COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)cc2)[C@@H]1O ZINC000012483750 291101291 /nfs/dbraw/zinc/10/12/91/291101291.db2.gz HSTSMMPJELLAMS-DGXTUMSLSA-N 1 0 392.374 0.764 40 0 biogenic,in-vitro GCABRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000001725702 212254397 /nfs/dbraw/zinc/25/43/97/212254397.db2.gz UHHOKYHLNSWFNG-UHFFFAOYSA-N 1 0 394.863 0.763 40 0 GCABRO CN1[C@@H](c2ccccn2)[C@]2(CO)C[N@H+](C)C[C@@](CO)(C2O)[C@H]1c1ccccn1 ZINC000001612208 206387301 /nfs/dbraw/zinc/38/73/01/206387301.db2.gz QTBLVKOQTUDXKG-JCCIXQHDSA-N 1 0 384.480 0.468 40 0 GCABRO COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NCCCn2ccnc2)c1 ZINC000016187824 207073664 /nfs/dbraw/zinc/07/36/64/207073664.db2.gz DODWYZJKRACKBC-UHFFFAOYSA-N 1 0 396.469 0.727 40 0 GCABRO C[NH+](C)CCn1nc([C@@H]2CCN(C(=O)CN3CCCC3=O)C2)c2cccnc21 ZINC000019583191 207140309 /nfs/dbraw/zinc/14/03/09/207140309.db2.gz WHKKQZSKCYTVDU-OAHLLOKOSA-N 1 0 384.484 0.931 40 0 GCABRO CCN(CC)S(=O)(=O)N1CCc2nc([C@H]3CCC[NH2+]C3)nc(NC)c2C1 ZINC000019711443 207151652 /nfs/dbraw/zinc/15/16/52/207151652.db2.gz OOVPGHJLOUBHCY-ZDUSSCGKSA-N 1 0 382.534 0.930 40 0 GCABRO CN1CC[NH+](CC(C)(C)CN2CCN(c3ncc4c(n3)CCOC4)CC2)CC1 ZINC000023093268 207269057 /nfs/dbraw/zinc/26/90/57/207269057.db2.gz OSCJPJONPNGLFN-UHFFFAOYSA-N 1 0 388.560 0.945 40 0 GCABRO Cc1noc(C)c1S(=O)(=O)N1CC[NH2+]C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355219 208000968 /nfs/dbraw/zinc/00/09/68/208000968.db2.gz FAGYLRMLQKLVGD-AWEZNQCLSA-N 1 0 394.501 0.600 40 0 GCABRO C[NH+](C)CCNC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)CC3CC3)CC2)O1 ZINC000096243741 208293116 /nfs/dbraw/zinc/29/31/16/208293116.db2.gz RFWWUBPFWULYPI-INIZCTEOSA-N 1 0 389.500 0.578 40 0 GCABRO COCC[NH+]1CCC2(CC3(CCN(S(=O)(=O)C4CC4)CC3)N(C)C2=O)CC1 ZINC000096262353 208299040 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KQGHHEIRSQNCIY-FQEVSTJZSA-N 1 0 389.500 0.743 40 0 GCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1ccccn1 ZINC000257262098 209062263 /nfs/dbraw/zinc/06/22/63/209062263.db2.gz LKAHFKNTUUWJEB-YRXWBPOGSA-N 1 0 389.427 0.824 40 0 GCABRO O=C(CCNC(=O)c1cccnc1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257263560 209063593 /nfs/dbraw/zinc/06/35/93/209063593.db2.gz LQNXCYBCSUROOM-FQEVSTJZSA-N 1 0 390.484 0.277 40 0 GCABRO O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1)c1cnc[nH]1 ZINC000257273629 209066055 /nfs/dbraw/zinc/06/60/55/209066055.db2.gz NHMNICLIDBQSRR-YSHGAJCASA-N 1 0 386.452 0.546 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3coc(C)n3)CC2)CC1 ZINC000257299476 209070256 /nfs/dbraw/zinc/07/02/56/209070256.db2.gz RQFIRHBWVAFPEH-IBGZPJMESA-N 1 0 378.473 0.941 40 0 GCABRO O=S(=O)(c1ccccc1)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000224332369 136206826 /nfs/dbraw/zinc/20/68/26/136206826.db2.gz HWHYUGJBOKKXPM-UHFFFAOYSA-N 1 0 389.481 0.824 40 0 GCABRO Cn1c2c(ncn2[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3)[C@H]2O)c(=O)n(C)c1=O ZINC000257319686 209075099 /nfs/dbraw/zinc/07/50/99/209075099.db2.gz VTPJLELSVABANO-BFYDXBDKSA-N 1 0 383.452 0.678 40 0 GCABRO COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCN1C(=O)OCc1ccccc1 ZINC000079420001 222304945 /nfs/dbraw/zinc/30/49/45/222304945.db2.gz CJZXRKLCROXJCM-HOTGVXAUSA-N 1 0 377.441 0.992 40 0 GCABRO COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCN1C(=O)OCc1ccccc1 ZINC000079420004 222305701 /nfs/dbraw/zinc/30/57/01/222305701.db2.gz CJZXRKLCROXJCM-CVEARBPZSA-N 1 0 377.441 0.992 40 0 GCABRO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(S(=O)(=O)CC)CCC2 ZINC000096055951 222375279 /nfs/dbraw/zinc/37/52/79/222375279.db2.gz LXEUMGQPRJLMPN-WBVHZDCISA-N 1 0 375.535 0.475 40 0 GCABRO Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H](C(=O)NC2CCOCC2)CC(=O)N(C)C1 ZINC000096113499 222382338 /nfs/dbraw/zinc/38/23/38/222382338.db2.gz UGNNBSMXVCTTOZ-NVXWUHKLSA-N 1 0 391.516 0.822 40 0 biogenic,in-vitro GCABRO C[NH+](C)CCn1cnc2nnc3ccc(C(=O)NCCN4CCOCC4)cc3c21 ZINC000096146584 222390340 /nfs/dbraw/zinc/39/03/40/222390340.db2.gz VIQLULIEICMWGK-UHFFFAOYSA-N 1 0 397.483 0.603 40 0 GCABRO COc1ccccc1N1CCN([C@H]2[C@@H](C[NH2+]C(C)C)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465586 537071331 /nfs/dbraw/zinc/07/13/31/537071331.db2.gz GGNVTTSWGYFEIM-FUMNGEBKSA-N 1 0 379.501 0.304 40 0 biogenic,in-vitro GCABRO Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]Cc3ccncc3)[C@@H]2O)cc1 ZINC000077265438 560046442 /nfs/dbraw/zinc/04/64/42/560046442.db2.gz MYAYVOWFHCUNGJ-KURKYZTESA-N 1 0 377.466 0.586 40 0 biogenic,in-vitro GCABRO C[C@@H](Cc1ccccc1)[N@H+](C)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000005115855 560200727 /nfs/dbraw/zinc/20/07/27/560200727.db2.gz PDTADBTVZXKSJM-AWEZNQCLSA-N 1 0 384.484 0.946 40 0 in-vitro GCABRO Cc1cc(NC(=O)Cn2cccc(C(=O)NC[C@H]3CCCC[N@H+]3C)c2=O)no1 ZINC000019750197 570215542 /nfs/dbraw/zinc/21/55/42/570215542.db2.gz CIIPFXOOEQLLMP-CQSZACIVSA-N 1 0 387.440 0.998 40 0 GCABRO CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@H]([NH+](C)C)C4)cn32)C1 ZINC000096267623 570227783 /nfs/dbraw/zinc/22/77/83/570227783.db2.gz HVDOTEVMRHPPAR-ZBFHGGJFSA-N 1 0 399.499 0.976 40 0 GCABRO O[C@H]1C[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1N1CCOCC1 ZINC000585272943 570241558 /nfs/dbraw/zinc/24/15/58/570241558.db2.gz NOSCZDKQDXXNIA-SFTDATJTSA-N 1 0 391.512 0.275 40 0 GCABRO CN1CCN(C[C@@]2(O)CC[N@H+](Cc3cccc(CN4CCOCC4)c3)C2)CC1 ZINC000585272296 570242268 /nfs/dbraw/zinc/24/22/68/570242268.db2.gz KDJFJQQLIXAVIX-QFIPXVFZSA-N 1 0 388.556 0.703 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585283573 570251885 /nfs/dbraw/zinc/25/18/85/570251885.db2.gz RZDNVCPLTWQRDC-ICSRJNTNSA-N 1 0 396.459 0.376 40 0 GCABRO CC(=O)N1CC[N@H+](CC2(O)CCN(c3ccc(F)cc3)CC2)C[C@H](CO)C1 ZINC000585284412 570253271 /nfs/dbraw/zinc/25/32/71/570253271.db2.gz RQGXVJXBMKBAHO-KRWDZBQOSA-N 1 0 379.476 0.930 40 0 GCABRO CN1CCC([NH2+]C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585284460 570253449 /nfs/dbraw/zinc/25/34/49/570253449.db2.gz LEOHLJZCYUKMDI-ICSRJNTNSA-N 1 0 395.931 0.891 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3ccccc3C)C2)CC1 ZINC000585286686 570255551 /nfs/dbraw/zinc/25/55/51/570255551.db2.gz HQLKPAOARFQCFZ-NRFANRHFSA-N 1 0 392.496 0.811 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287324 570255750 /nfs/dbraw/zinc/25/57/50/570255750.db2.gz MNLFRONUNCJYLS-HXUWFJFHSA-N 1 0 396.459 0.641 40 0 GCABRO CC(=O)N1CCC([NH2+][C@@H]2C[C@@H](O)[C@H](CO)[C@H]2Cc2ccnc(C3CC3)n2)CC1 ZINC000604382097 570353227 /nfs/dbraw/zinc/35/32/27/570353227.db2.gz DFHPVEOSFPDWAM-UAFMIMERSA-N 1 0 388.512 0.855 40 0 biogenic,in-vitro GCABRO Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000220010104 570380293 /nfs/dbraw/zinc/38/02/93/570380293.db2.gz QNPDNGYWERTQKJ-UHFFFAOYSA-N 1 0 394.541 0.755 40 0 GCABRO CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccc[nH]c3=O)CC2)CC1 ZINC000257217660 570762075 /nfs/dbraw/zinc/76/20/75/570762075.db2.gz CZZFQLRXJOUZBI-LJQANCHMSA-N 1 0 376.457 0.309 40 0 GCABRO CN(C)C(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)[N@@H+]1C ZINC000257226341 570764030 /nfs/dbraw/zinc/76/40/30/570764030.db2.gz FKHBWZRXIIVHTN-KGLIPLIRSA-N 1 0 394.497 0.401 40 0 GCABRO C[NH2+]CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000257237500 570766924 /nfs/dbraw/zinc/76/69/24/570766924.db2.gz HGUPEGXWBBAXLA-ONTIZHBOSA-N 1 0 388.556 0.811 40 0 GCABRO Cn1nccc1C(=O)N[C@@H]1CC[C@H](O)[C@@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000257255297 570770984 /nfs/dbraw/zinc/77/09/84/570770984.db2.gz KGYZJIMVVROHAI-GSEOLPGOSA-N 1 0 399.495 0.225 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3coc(C)n3)CC2)CC1 ZINC000257299477 570777802 /nfs/dbraw/zinc/77/78/02/570777802.db2.gz RQFIRHBWVAFPEH-LJQANCHMSA-N 1 0 378.473 0.941 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000257336219 570783523 /nfs/dbraw/zinc/78/35/23/570783523.db2.gz YNOWJWKXRQNNET-OAQYLSRUSA-N 1 0 388.512 0.968 40 0 GCABRO C[C@@H](C(=O)NCCC[NH+](C)C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000013595972 570853219 /nfs/dbraw/zinc/85/32/19/570853219.db2.gz AXQBKEQHTSKZTB-ZDUSSCGKSA-N 1 0 385.486 0.680 40 0 GCABRO CC(=O)N[C@H]1C[NH2+]C2(C1)CCN(S(=O)(=O)c1cn(C(C)C)nc1C)CC2 ZINC000019704221 570896674 /nfs/dbraw/zinc/89/66/74/570896674.db2.gz OPPGLNQHHKPBTP-OAHLLOKOSA-N 1 0 383.518 0.794 40 0 GCABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(CC(=O)N[C@H](C)COC)C2 ZINC000019711353 570898373 /nfs/dbraw/zinc/89/83/73/570898373.db2.gz PCUBTECXSPCPCR-CYBMUJFWSA-N 1 0 376.505 0.495 40 0 GCABRO O=S(=O)(c1ccccn1)N1CCC2(CO[C@H](C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC000585103636 570929073 /nfs/dbraw/zinc/92/90/73/570929073.db2.gz HTEWCSSRZWCSSP-HOTGVXAUSA-N 1 0 381.498 0.708 40 0 GCABRO C[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ncnn2C)CC3)C[C@H]1O ZINC000585105095 570933994 /nfs/dbraw/zinc/93/39/94/570933994.db2.gz XVJGXDOWKUQZPF-BZUAXINKSA-N 1 0 377.489 0.529 40 0 GCABRO CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(CN(C)S(=O)(=O)N2CCOCC2)n1 ZINC000019710020 571034144 /nfs/dbraw/zinc/03/41/44/571034144.db2.gz UPCFIPVXCQVPDR-AWEZNQCLSA-N 1 0 398.533 0.018 40 0 GCABRO C[N@H+](CCc1ccccn1)[C@H]1[C@@H](CNC(=O)C2CCCC2)O[C@@H](CO)[C@H]1O ZINC000020465851 575368378 /nfs/dbraw/zinc/36/83/78/575368378.db2.gz KNURFGOORAKGPE-YDZRNGNQSA-N 1 0 377.485 0.352 40 0 biogenic,in-vitro GCABRO COCC(=O)N1CCC2(CC1)N(Cc1ccccc1)C(=O)[C@H]1C[N@@H+](C)CCN12 ZINC001772595385 1187053757 /nfs/dbraw/zinc/05/37/57/1187053757.db2.gz RIRGWSDAIDKIBB-GOSISDBHSA-N 1 0 386.496 0.610 40 0 GCABRO COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H]2C[NH2+]CC[C@@]2(NC(C)=O)C1 ZINC000019713624 1199838131 /nfs/dbraw/zinc/83/81/31/1199838131.db2.gz YPTIJNFBXTUMKY-CRAIPNDOSA-N 1 0 381.498 0.801 40 0 GCABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3C)[C@@H](O)[C@H]2O1 ZINC000225515038 222681034 /nfs/dbraw/zinc/68/10/34/222681034.db2.gz DRWXKPWLIHMQNK-PNDFQMOFSA-N 1 0 378.469 0.523 40 0 biogenic,in-vitro GCABRO O=C1C[C@@H](N2CCN(CCO)CC2)C(=O)N1c1ccccc1Br ZINC000036634090 530172960 /nfs/dbraw/zinc/17/29/60/530172960.db2.gz ZYIYQDYWIGEWBY-CQSZACIVSA-N 1 0 382.258 0.691 40 0 GCABRO COc1ccc(OC)c(S(=O)(=O)NCC[NH2+][C@]2(C)CCS(=O)(=O)C2)c1 ZINC000575420486 530688411 /nfs/dbraw/zinc/68/84/11/530688411.db2.gz CDWLMORBQWSNIH-OAHLLOKOSA-N 1 0 392.499 0.149 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cnc(C)cn3)CC2)CC1 ZINC000257242590 222764257 /nfs/dbraw/zinc/76/42/57/222764257.db2.gz IDFJSSBLAIKSPF-HXUWFJFHSA-N 1 0 389.500 0.743 40 0 GCABRO C[NH+](C)CCCNc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1 ZINC000328982927 212092809 /nfs/dbraw/zinc/09/28/09/212092809.db2.gz HDXLJSKFKGQRSY-UHFFFAOYSA-N 1 0 376.427 0.447 40 0 GCABRO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@@H](C)CO)[nH+]1 ZINC000329004773 206241238 /nfs/dbraw/zinc/24/12/38/206241238.db2.gz KTGNNSDUEIRVDD-LBPRGKRZSA-N 1 0 377.470 0.788 40 0 GCABRO [NH3+]CCn1nc([C@H]2CCN(C(=O)COC[C@H]3CCCCO3)C2)c2nccnc21 ZINC000019404383 207121804 /nfs/dbraw/zinc/12/18/04/207121804.db2.gz HLOITYYEAJNGCJ-LSDHHAIUSA-N 1 0 388.472 0.687 40 0 GCABRO Cc1c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)C[NH+]3CCCC3)CC2)cnn1C ZINC000019661063 207147500 /nfs/dbraw/zinc/14/75/00/207147500.db2.gz VVLDLOONZILRSQ-CQSZACIVSA-N 1 0 397.545 0.730 40 0 GCABRO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(NC)n2)C[NH2+]CC3)C1 ZINC000019711494 207151765 /nfs/dbraw/zinc/15/17/65/207151765.db2.gz NTDPVAXTKCVHRI-CYBMUJFWSA-N 1 0 382.534 0.930 40 0 GCABRO C[NH+](C)CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000030758338 207373120 /nfs/dbraw/zinc/37/31/20/207373120.db2.gz MQAXCIDJRWRLSM-CQSZACIVSA-N 1 0 375.878 0.935 40 0 GCABRO CCOC(=O)[C@@]12CN(CC[NH+](C)C)C[C@@H]1CN(S(=O)(=O)C1CC1)CCC2 ZINC000096055952 208259711 /nfs/dbraw/zinc/25/97/11/208259711.db2.gz WLFWVBCIHGLHIF-QAPCUYQASA-N 1 0 387.546 0.617 40 0 GCABRO CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@H]([NH+](C)C)C4)cn32)C1 ZINC000096267625 208299431 /nfs/dbraw/zinc/29/94/31/208299431.db2.gz HVDOTEVMRHPPAR-HOCLYGCPSA-N 1 0 399.499 0.976 40 0 GCABRO COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(OC)CC1 ZINC000257203220 209055065 /nfs/dbraw/zinc/05/50/65/209055065.db2.gz APCVDMSRNNNCKV-JYBIWHBTSA-N 1 0 378.469 0.809 40 0 GCABRO O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1CN(c2ccc(F)cc2)CC[NH2+]1 ZINC000257220007 209057832 /nfs/dbraw/zinc/05/78/32/209057832.db2.gz DJEJWKUCJODASZ-INIZCTEOSA-N 1 0 384.477 0.146 40 0 GCABRO O=C([C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1 ZINC000008253947 221033169 /nfs/dbraw/zinc/03/31/69/221033169.db2.gz IBQJQVFJCZATNU-ZACQAIPSSA-N 1 0 382.468 0.909 40 0 biogenic,in-vitro GCABRO O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O)NCc1ccc(F)cc1 ZINC000015675217 221339102 /nfs/dbraw/zinc/33/91/02/221339102.db2.gz OYKFPMVMRNCYOA-KVPLUYHFSA-N 1 0 389.427 0.506 40 0 biogenic,in-vitro GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1 ZINC000257274635 209067043 /nfs/dbraw/zinc/06/70/43/209067043.db2.gz NLYCMYVYDQLOQB-LJQANCHMSA-N 1 0 377.489 0.378 40 0 GCABRO O=C(CN1C(=O)CNC1=O)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257310401 209072386 /nfs/dbraw/zinc/07/23/86/209072386.db2.gz UEXUQSKFKHFEPR-INIZCTEOSA-N 1 0 388.415 0.013 40 0 GCABRO OC[C@@H]1O[C@H](C[NH2+]C2CCOCC2)[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1O ZINC000020464804 136202591 /nfs/dbraw/zinc/20/25/91/136202591.db2.gz ZMYLCMOVFIKCJJ-IVAOSVALSA-N 1 0 391.512 0.066 40 0 biogenic,in-vitro GCABRO Cc1cc(N(C)C)nc(N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)[nH+]1 ZINC000224139427 136206279 /nfs/dbraw/zinc/20/62/79/136206279.db2.gz SPMKWPBSOZHSSG-UHFFFAOYSA-N 1 0 382.468 0.930 40 0 GCABRO CC(=O)N1CCN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1C(N)=O ZINC000257332482 209077429 /nfs/dbraw/zinc/07/74/29/209077429.db2.gz XXMGXVLQLQIFGM-LJQANCHMSA-N 1 0 386.496 0.486 40 0 GCABRO [NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)COc3ccccc3)cc2)[C@H]1CO ZINC000072321372 222225968 /nfs/dbraw/zinc/22/59/68/222225968.db2.gz OYTPBUJHXLLPKN-WIYYLYMNSA-N 1 0 399.447 0.924 40 0 biogenic,in-vitro GCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H]1O ZINC000514288936 560033581 /nfs/dbraw/zinc/03/35/81/560033581.db2.gz KHWMOPCIJRDEBM-LAVFITLUSA-N 1 0 384.498 0.512 40 0 biogenic,in-vitro GCABRO CC(=O)N1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)c3ccc(F)cc3)[C@H]2O)CC1 ZINC000077264390 560046487 /nfs/dbraw/zinc/04/64/87/560046487.db2.gz FWRVTHOQEANRFR-KURKYZTESA-N 1 0 379.432 0.284 40 0 biogenic,in-vitro GCABRO COCCNC(=O)[C@H]1O[C@H](CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1O ZINC000030878945 560090098 /nfs/dbraw/zinc/09/00/98/560090098.db2.gz XMPSHKUYSZHTKL-UFYCRDLUSA-N 1 0 391.512 0.870 40 0 biogenic,in-vitro GCABRO COc1cccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CC[NH+](C)C)[C@H]2O)c1 ZINC000020463978 560092755 /nfs/dbraw/zinc/09/27/55/560092755.db2.gz AWCVAQLSOLRVQX-HSFUPAIVSA-N 1 0 394.472 0.163 40 0 biogenic,in-vitro GCABRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 ZINC000019750974 570215434 /nfs/dbraw/zinc/21/54/34/570215434.db2.gz TWUONJCFKNTMMP-SFHVURJKSA-N 1 0 382.464 0.989 40 0 GCABRO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC000585281868 570248338 /nfs/dbraw/zinc/24/83/38/570248338.db2.gz DCMNHPCVPKYZDL-IBGZPJMESA-N 1 0 398.525 0.861 40 0 GCABRO CC(=O)N1CC[N@H+](CC2(O)CCN(c3ccccc3F)CC2)C[C@H](CO)C1 ZINC000585282566 570250362 /nfs/dbraw/zinc/25/03/62/570250362.db2.gz HBDXIZWHOLIZII-KRWDZBQOSA-N 1 0 379.476 0.930 40 0 GCABRO CC(=O)N(C)[C@@H]1CCOC2(CC[NH+](CC3(O)CCN(C(C)=O)CC3)CC2)C1 ZINC000585282568 570250491 /nfs/dbraw/zinc/25/04/91/570250491.db2.gz HBOQLUPYNXQINE-GOSISDBHSA-N 1 0 381.517 0.852 40 0 GCABRO CN1CCC([NH2+]C[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)CC1 ZINC000585285737 570255272 /nfs/dbraw/zinc/25/52/72/570255272.db2.gz SKAQIYPKXGJAII-PKOBYXMFSA-N 1 0 381.904 0.962 40 0 GCABRO CCCOC1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000585290260 570258122 /nfs/dbraw/zinc/25/81/22/570258122.db2.gz PIEBHZKPJYEMPD-MOPGFXCFSA-N 1 0 398.525 0.674 40 0 GCABRO 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/nfs/dbraw/zinc/76/68/23/570766823.db2.gz HBRLVQMZPUZDOO-ICSRJNTNSA-N 1 0 389.496 0.839 40 0 GCABRO CN(C)C(=O)c1ccc(=O)n(C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000257250229 570770031 /nfs/dbraw/zinc/77/00/31/570770031.db2.gz JLQXQLIMTIIFEJ-HXUWFJFHSA-N 1 0 398.507 0.729 40 0 GCABRO CC[NH+]1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(N)=O)C2)CC1 ZINC000257327655 570782509 /nfs/dbraw/zinc/78/25/09/570782509.db2.gz XCFDTUIFCJLNHR-HKUYNNGSSA-N 1 0 388.512 0.795 40 0 GCABRO COCCN1C(=O)C[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000257344620 570785084 /nfs/dbraw/zinc/78/50/84/570785084.db2.gz ZYABEFUXUYEDNE-BEFAXECRSA-N 1 0 393.484 0.918 40 0 GCABRO CC[NH2+][C@H]1CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2(C1)CCCCC2 ZINC000019703995 570897000 /nfs/dbraw/zinc/89/70/00/570897000.db2.gz NTVVMKRLPORPIV-CYBMUJFWSA-N 1 0 384.502 0.159 40 0 GCABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(CC(=O)N[C@@H](C)COC)C2 ZINC000019711352 570898522 /nfs/dbraw/zinc/89/85/22/570898522.db2.gz PCUBTECXSPCPCR-ZDUSSCGKSA-N 1 0 376.505 0.495 40 0 GCABRO OCCN1CC[NH+](C[C@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689879 570899646 /nfs/dbraw/zinc/89/96/46/570899646.db2.gz BBJNQLDCWJYPDQ-KGMASTOKSA-N 1 0 382.545 0.959 40 0 GCABRO CCn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)NC3CS(=O)(=O)C3)C2)cn1 ZINC000585109393 570941540 /nfs/dbraw/zinc/94/15/40/570941540.db2.gz MTTDHPIOSQFUAG-OIISXLGYSA-N 1 0 396.513 0.043 40 0 GCABRO CC(C)[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000019662557 571026477 /nfs/dbraw/zinc/02/64/77/571026477.db2.gz KTTOOCAYTSHDIR-GOSISDBHSA-N 1 0 375.517 0.920 40 0 GCABRO CC(C)[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)N1CCOCC1 ZINC000019662559 571026582 /nfs/dbraw/zinc/02/65/82/571026582.db2.gz KTTOOCAYTSHDIR-SFHVURJKSA-N 1 0 375.517 0.920 40 0 GCABRO C[N@@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)CN2CCCCCC2=O)CC3)C1 ZINC000019709282 571033471 /nfs/dbraw/zinc/03/34/71/571033471.db2.gz CTFDNYBAIPHTJW-INIZCTEOSA-N 1 0 388.516 0.875 40 0 GCABRO 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CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cncnc3C)CC2)CC1 ZINC000257257581 222765315 /nfs/dbraw/zinc/76/53/15/222765315.db2.gz KQGHHEIRSQNCIY-HXUWFJFHSA-N 1 0 389.500 0.743 40 0 GCABRO C[NH+](C)CCCNc1nc(NCCN2CCOCC2)cc(-c2ccncc2)n1 ZINC000328973173 212090011 /nfs/dbraw/zinc/09/00/11/212090011.db2.gz DZWICGMUAKUKIR-UHFFFAOYSA-N 1 0 385.516 0.490 40 0 GCABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cnn(C)c4)C[C@H]32)cc1 ZINC000306145026 209107591 /nfs/dbraw/zinc/10/75/91/209107591.db2.gz ZVJWSJSMZTWRQX-MSOLQXFVSA-N 1 0 392.463 0.724 40 0 GCABRO CCN(CC)S(=O)(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)nc(NC)c2C1 ZINC000019711442 207152356 /nfs/dbraw/zinc/15/23/56/207152356.db2.gz OOVPGHJLOUBHCY-CYBMUJFWSA-N 1 0 382.534 0.930 40 0 GCABRO C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1 ZINC000019751382 207159531 /nfs/dbraw/zinc/15/95/31/207159531.db2.gz NOIZAWLULWJNTK-SFHVURJKSA-N 1 0 382.464 0.989 40 0 GCABRO C[NH+](C)C1CCN(C(=O)C2=NO[C@]3(CCN(C(=O)c4cnccn4)C3)C2)CC1 ZINC000096225672 208289282 /nfs/dbraw/zinc/28/92/82/208289282.db2.gz OUYRLXSQUYITGX-LJQANCHMSA-N 1 0 386.456 0.390 40 0 GCABRO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CC[N@H+](Cc2ccoc2)C1 ZINC000306125234 209096867 /nfs/dbraw/zinc/09/68/67/209096867.db2.gz CJZWEKYYEMKNCI-HXUWFJFHSA-N 1 0 379.420 0.989 40 0 GCABRO COC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000010157548 221097967 /nfs/dbraw/zinc/09/79/67/221097967.db2.gz QAHLLXMHQUEZSI-JKSUJKDBSA-N 1 0 394.435 0.615 40 0 GCABRO CN(C)C(=O)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@]12CCc1ccccc1C(=O)N2 ZINC000012124925 221155827 /nfs/dbraw/zinc/15/58/27/221155827.db2.gz ARQGZHVMUPDOPX-CECAUBDESA-N 1 0 398.507 0.648 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)Cn3cc(C)cn3)CC2)CC1 ZINC000257303999 209072685 /nfs/dbraw/zinc/07/26/85/209072685.db2.gz SJRCSTNEBPLCFM-FQEVSTJZSA-N 1 0 391.516 0.536 40 0 GCABRO CC(=O)N[C@]12CN(C(=O)c3nonc3N)[C@H](c3ccccc3)[C@H]1CC[N@@H+](C)C2 ZINC000257316706 209073977 /nfs/dbraw/zinc/07/39/77/209073977.db2.gz VGQNBAMUXDSOEZ-IDHHARJASA-N 1 0 384.440 0.676 40 0 GCABRO Cc1ccc(C)c(Cn2c(N3CC[NH2+]CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000062720584 222065498 /nfs/dbraw/zinc/06/54/98/222065498.db2.gz AYQGKRDHARLFHE-UHFFFAOYSA-N 1 0 382.468 0.508 40 0 GCABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1 ZINC000072380554 222245333 /nfs/dbraw/zinc/24/53/33/222245333.db2.gz IMVJTFDCIPBFFQ-OAHLLOKOSA-N 1 0 375.473 0.684 40 0 GCABRO C/C=C(\C)C(=O)O[C@@H]1CC[N@@H+]2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000095831479 222361403 /nfs/dbraw/zinc/36/14/03/222361403.db2.gz HRSGCYGUWHGOPY-OCOMMVLDSA-N 1 0 397.468 0.305 40 0 GCABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1 ZINC000225515681 560042269 /nfs/dbraw/zinc/04/22/69/560042269.db2.gz XPOHKXZUDWVIEA-SZVRAQGESA-N 1 0 392.443 0.592 40 0 biogenic,in-vitro GCABRO Cc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](CCC(C)C)C3)C2=O)o1 ZINC000225397855 560043677 /nfs/dbraw/zinc/04/36/77/560043677.db2.gz HMXBYJVMHCNLRP-WBVHZDCISA-N 1 0 375.469 0.993 40 0 biogenic,in-vitro GCABRO O[C@@]1(CN2CCOCC2)CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000585274424 570243201 /nfs/dbraw/zinc/24/32/01/570243201.db2.gz WJERZPSIHZHVEX-OAQYLSRUSA-N 1 0 375.513 0.788 40 0 GCABRO CN1CC[NH+](C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585282943 570250998 /nfs/dbraw/zinc/25/09/98/570250998.db2.gz KAZUFJYMILNVMQ-HKUYNNGSSA-N 1 0 381.904 0.454 40 0 GCABRO CN1CCC[N@H+](C[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585284548 570253750 /nfs/dbraw/zinc/25/37/50/570253750.db2.gz LTJYCDUVAKNNRG-ICSRJNTNSA-N 1 0 395.931 0.844 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585284869 570253949 /nfs/dbraw/zinc/25/39/49/570253949.db2.gz ABSMEJQOUIEKLB-FQEVSTJZSA-N 1 0 396.459 0.641 40 0 GCABRO CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)CC1 ZINC000585287322 570255579 /nfs/dbraw/zinc/25/55/79/570255579.db2.gz MNLFRONUNCJYLS-FQEVSTJZSA-N 1 0 396.459 0.641 40 0 GCABRO 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CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)C3CCOCC3)CC2)CC1 ZINC000257303980 209073051 /nfs/dbraw/zinc/07/30/51/209073051.db2.gz SJONTKZJNMNTPL-HXUWFJFHSA-N 1 0 381.517 0.757 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccnc(C)n3)CC2)CC1 ZINC000257306371 209073073 /nfs/dbraw/zinc/07/30/73/209073073.db2.gz SUAZJWFCOFEUOJ-FQEVSTJZSA-N 1 0 389.500 0.743 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3cn(C)nc3C)CC2)CC1 ZINC000257320977 209074263 /nfs/dbraw/zinc/07/42/63/209074263.db2.gz VZOXCODEMFRUFQ-FQEVSTJZSA-N 1 0 391.516 0.686 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)Cc3cccnc3)CC2)CC1 ZINC000257336218 209078613 /nfs/dbraw/zinc/07/86/13/209078613.db2.gz YNOWJWKXRQNNET-NRFANRHFSA-N 1 0 388.512 0.968 40 0 GCABRO CC(=O)N1CCC([NH2+]C2(Cc3cc(CN4CCOCC4)on3)COC2)CC1 ZINC000067898367 222167064 /nfs/dbraw/zinc/16/70/64/222167064.db2.gz NMDRVARTZZPBAM-UHFFFAOYSA-N 1 0 378.473 0.419 40 0 biogenic,in-vitro GCABRO Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(CC[NH3+])[C@@H]3CO)cc2)nn1C ZINC000072321388 222226298 /nfs/dbraw/zinc/22/62/98/222226298.db2.gz RTKDRBUNZXANIO-SJLPKXTDSA-N 1 0 387.440 0.200 40 0 biogenic,in-vitro GCABRO CC(C)CS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(CC[NH3+])[C@@H]2CO)cc1 ZINC000072321391 222226310 /nfs/dbraw/zinc/22/63/10/222226310.db2.gz PROVWYUYAPCRJI-NVXWUHKLSA-N 1 0 385.486 0.304 40 0 biogenic,in-vitro GCABRO CC(=O)N1CCC[C@H]1C(=O)N1CC(C(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000072344619 222233370 /nfs/dbraw/zinc/23/33/70/222233370.db2.gz ZLHYUXLGXOGRSR-IBGZPJMESA-N 1 0 386.496 0.834 40 0 GCABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3Cl)[C@@H](O)[C@H]2O1 ZINC000225515093 560042241 /nfs/dbraw/zinc/04/22/41/560042241.db2.gz IOXZUPWKIJMWNW-UUWMRLDISA-N 1 0 399.875 0.263 40 0 biogenic,in-vitro GCABRO CC1CCC([NH2+]C[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)CC1 ZINC000225512346 560042367 /nfs/dbraw/zinc/04/23/67/560042367.db2.gz GMWXJJGRSWZOQW-NVENNRNVSA-N 1 0 382.501 0.689 40 0 biogenic,in-vitro GCABRO CS(=O)(=O)c1ccc(OC[C@H]2C[C@@H]([NH2+]Cc3cccnc3)[C@H](O)[C@@H]2O)cc1 ZINC000225502732 560042372 /nfs/dbraw/zinc/04/23/72/560042372.db2.gz XUXVKTNRMIIQMY-AXUOBQJMSA-N 1 0 392.477 0.764 40 0 biogenic,in-vitro GCABRO [NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)[C@H]1CO ZINC000072321390 560077670 /nfs/dbraw/zinc/07/76/70/560077670.db2.gz XKJCIZGQQJMVGT-SJLPKXTDSA-N 1 0 377.441 0.271 40 0 biogenic,in-vitro GCABRO Cc1ccc(OC[C@@]2(O)C[N@@H+](C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2O)cc1 ZINC000585283054 570251354 /nfs/dbraw/zinc/25/13/54/570251354.db2.gz PAHOHBZTQFPIGY-OALUTQOASA-N 1 0 398.525 0.596 40 0 GCABRO O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C[NH+]2CCC(O)CC2)[C@@H](O)C1 ZINC000585285568 570255065 /nfs/dbraw/zinc/25/50/65/570255065.db2.gz QSWQYFBVVUUTFK-HKUYNNGSSA-N 1 0 382.888 0.664 40 0 GCABRO COc1ccc(C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)cc1 ZINC000585291048 570259413 /nfs/dbraw/zinc/25/94/13/570259413.db2.gz INEOYJJRXMXELP-MOPGFXCFSA-N 1 0 392.477 0.581 40 0 GCABRO O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCC(CCO)CC2)C1 ZINC000585291431 570260288 /nfs/dbraw/zinc/26/02/88/570260288.db2.gz OSWUPIGFIOMQII-CTNGQTDRSA-N 1 0 376.497 0.648 40 0 GCABRO CC(=O)OCC1(CC(=O)N2CCOCC2)CC[NH+](Cc2cncn2C)CC1 ZINC000585294338 570263598 /nfs/dbraw/zinc/26/35/98/570263598.db2.gz YYPDBSKJVGTJRE-UHFFFAOYSA-N 1 0 378.473 0.814 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020674685 570274747 /nfs/dbraw/zinc/27/47/47/570274747.db2.gz ZJEIFNBWZMJZNZ-LSDHHAIUSA-N 1 0 376.388 0.306 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020674688 570274828 /nfs/dbraw/zinc/27/48/28/570274828.db2.gz ZJEIFNBWZMJZNZ-CABCVRRESA-N 1 0 376.388 0.306 40 0 GCABRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000113941935 570334979 /nfs/dbraw/zinc/33/49/79/570334979.db2.gz MOSFFZAYEMWHOE-UHFFFAOYSA-N 1 0 381.498 0.840 40 0 GCABRO Cc1ccccc1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022934809 570338139 /nfs/dbraw/zinc/33/81/39/570338139.db2.gz LSOQSJXMTOIMGX-UHFFFAOYSA-N 1 0 382.530 0.515 40 0 GCABRO CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]CCN2CCOCC2)cc1 ZINC000022583929 570348299 /nfs/dbraw/zinc/34/82/99/570348299.db2.gz IJCAHFAZIVYCAS-OAHLLOKOSA-N 1 0 398.529 0.624 40 0 GCABRO CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]CCN2CCOCC2)cc1 ZINC000022583934 570348347 /nfs/dbraw/zinc/34/83/47/570348347.db2.gz IJCAHFAZIVYCAS-HNNXBMFYSA-N 1 0 398.529 0.624 40 0 GCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCOCC3)[C@@H](O)[C@H]2O1)NCc1cccnc1 ZINC000604381955 570352955 /nfs/dbraw/zinc/35/29/55/570352955.db2.gz WNZSVROEIFFBLT-PNDFQMOFSA-N 1 0 391.468 0.142 40 0 biogenic,in-vitro GCABRO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000023421660 570362118 /nfs/dbraw/zinc/36/21/18/570362118.db2.gz OCAATHWUALYTEF-UHFFFAOYSA-N 1 0 397.497 0.540 40 0 GCABRO OCCOCCOc1ccc(C[NH2+]C[C@]2(O)CCN(c3ncccn3)C2)cc1 ZINC000257328939 570487267 /nfs/dbraw/zinc/48/72/67/570487267.db2.gz XHSAVVVOTAGACG-HXUWFJFHSA-N 1 0 388.468 0.595 40 0 GCABRO COC(=O)C1=C(O)NC(N2CCN(c3ncccn3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000010157546 570566340 /nfs/dbraw/zinc/56/63/40/570566340.db2.gz QAHLLXMHQUEZSI-HOTGVXAUSA-N 1 0 394.435 0.615 40 0 GCABRO CC(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccc[nH]c3=O)CC2)CC1 ZINC000257217659 570762053 /nfs/dbraw/zinc/76/20/53/570762053.db2.gz CZZFQLRXJOUZBI-IBGZPJMESA-N 1 0 376.457 0.309 40 0 GCABRO Nc1ncnc2c1ncn2[C@H]1CCC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1O ZINC000257230649 570764974 /nfs/dbraw/zinc/76/49/74/570764974.db2.gz GDFXZFIBABYSRK-DZKIICNBSA-N 1 0 381.440 0.752 40 0 GCABRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 ZINC000257265505 570772687 /nfs/dbraw/zinc/77/26/87/570772687.db2.gz LYXJQQQMJLEYDH-JCGIZDLHSA-N 1 0 381.436 0.367 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccn(C)n3)CC2)CC1 ZINC000257274634 570773779 /nfs/dbraw/zinc/77/37/79/570773779.db2.gz NLYCMYVYDQLOQB-IBGZPJMESA-N 1 0 377.489 0.378 40 0 GCABRO O=C(CN1CC(=O)NC1=O)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257287468 570775974 /nfs/dbraw/zinc/77/59/74/570775974.db2.gz PQCILRSJDCXSSZ-MRXNPFEDSA-N 1 0 388.415 0.013 40 0 GCABRO CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)ncn4C)CC[C@@H]2O)CC1 ZINC000257307672 570778949 /nfs/dbraw/zinc/77/89/49/570778949.db2.gz SZTRMMVRXRZNPV-PMACEKPBSA-N 1 0 399.495 0.703 40 0 GCABRO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257340244 570784487 /nfs/dbraw/zinc/78/44/87/570784487.db2.gz ZFEBDMOKBLAWTR-IBGZPJMESA-N 1 0 392.500 0.690 40 0 GCABRO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257340245 570784493 /nfs/dbraw/zinc/78/44/93/570784493.db2.gz ZFEBDMOKBLAWTR-LJQANCHMSA-N 1 0 392.500 0.690 40 0 GCABRO Cc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCNC(=O)C2)[C@@H]1O ZINC000257342354 570784621 /nfs/dbraw/zinc/78/46/21/570784621.db2.gz ZOGLCPNTDOOSAU-MBOZVWFJSA-N 1 0 385.468 0.127 40 0 GCABRO Cn1cc(C[N@@H+]2CC[C@]3(CCn4c3nn(Cc3ccccn3)c(=O)c4=O)C2)cn1 ZINC000306126851 570937424 /nfs/dbraw/zinc/93/74/24/570937424.db2.gz FHFAZBLJQBRBDT-FQEVSTJZSA-N 1 0 393.451 0.129 40 0 GCABRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC(C)C)nc2CO3)n1 ZINC000306129944 570938824 /nfs/dbraw/zinc/93/88/24/570938824.db2.gz IRKQBPSVLJRZCF-HXUWFJFHSA-N 1 0 385.468 0.939 40 0 GCABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2 ZINC000585108043 570939694 /nfs/dbraw/zinc/93/96/94/570939694.db2.gz ICVUYOWKJDTXGO-FCULAJGNSA-N 1 0 381.517 0.423 40 0 GCABRO COc1ncccc1C[N@@H+]1C[C@@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 ZINC000306135265 570942214 /nfs/dbraw/zinc/94/22/14/570942214.db2.gz OMBBUBWYYWGGGV-HZPDHXFCSA-N 1 0 383.452 0.838 40 0 GCABRO CC(=O)NCC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCCN3C(C)=O)c2)CC1 ZINC000019698045 571030621 /nfs/dbraw/zinc/03/06/21/571030621.db2.gz AJAWKPDFTLBPGH-LJQANCHMSA-N 1 0 387.484 0.858 40 0 GCABRO C[NH+](C)CCCNc1nc(NCCN2CCOCC2)cc(-c2cccnc2)n1 ZINC000328967220 571047941 /nfs/dbraw/zinc/04/79/41/571047941.db2.gz CRDUQHPETWRUBH-UHFFFAOYSA-N 1 0 385.516 0.490 40 0 GCABRO COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC001772595399 1187053254 /nfs/dbraw/zinc/05/32/54/1187053254.db2.gz STMKVKVWBQMEAU-MRXNPFEDSA-N 1 0 391.472 0.020 40 0 GCABRO C[N@@H+]1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cncnc2)CC1 ZINC001772595354 1187053645 /nfs/dbraw/zinc/05/36/45/1187053645.db2.gz OXXMYQXVDGIUED-QGZVFWFLSA-N 1 0 384.484 0.277 40 0 GCABRO COc1ccc(C)cc1S(=O)(=O)N(CC[NH3+])[C@]1(C)CCS(=O)(=O)C1 ZINC000575421088 530687605 /nfs/dbraw/zinc/68/76/05/530687605.db2.gz HSPDDKWJLWSTEA-OAHLLOKOSA-N 1 0 376.500 0.530 40 0 GCABRO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(N[C@H](C)CO)[nH+]1 ZINC000329004772 212091651 /nfs/dbraw/zinc/09/16/51/212091651.db2.gz KTGNNSDUEIRVDD-GFCCVEGCSA-N 1 0 377.470 0.788 40 0 GCABRO CC(=O)NCC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCCN3C(C)=O)c2)CC1 ZINC000019698044 207149166 /nfs/dbraw/zinc/14/91/66/207149166.db2.gz AJAWKPDFTLBPGH-IBGZPJMESA-N 1 0 387.484 0.858 40 0 GCABRO O=C(c1cnc(N2CCOCC2)nc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000019657110 207145984 /nfs/dbraw/zinc/14/59/84/207145984.db2.gz PSKYSUPGBSSHBO-UHFFFAOYSA-N 1 0 389.500 0.888 40 0 GCABRO CS(=O)(=O)N1CCCc2ccc(NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)cc21 ZINC000019663746 207146743 /nfs/dbraw/zinc/14/67/43/207146743.db2.gz KWRORHAJLOABMN-CQSZACIVSA-N 1 0 394.497 0.535 40 0 GCABRO CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(CCC(=O)N1CCOCC1)C2 ZINC000019711293 207151577 /nfs/dbraw/zinc/15/15/77/207151577.db2.gz NJIKAVHVHZXQLA-UHFFFAOYSA-N 1 0 388.516 0.592 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000020637060 207209201 /nfs/dbraw/zinc/20/92/01/207209201.db2.gz NYJINFLWUYXNNF-GJZGRUSLSA-N 1 0 392.843 0.820 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@@H]1c1ccc(OC)cc1 ZINC000020636925 207209209 /nfs/dbraw/zinc/20/92/09/207209209.db2.gz VIFHQHJEURAUFJ-JKSUJKDBSA-N 1 0 388.424 0.175 40 0 GCABRO CCN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C12CCN(C(=O)COC)CC2 ZINC000096143633 208272214 /nfs/dbraw/zinc/27/22/14/208272214.db2.gz NMQMRYATZJXSAC-ZWKOTPCHSA-N 1 0 386.496 0.999 40 0 GCABRO CCS(=O)(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096062601 208257412 /nfs/dbraw/zinc/25/74/12/208257412.db2.gz YTKITQQGTDRPKO-LJQANCHMSA-N 1 0 392.525 0.835 40 0 GCABRO CCS(=O)(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096062602 208260021 /nfs/dbraw/zinc/26/00/21/208260021.db2.gz YTKITQQGTDRPKO-IBGZPJMESA-N 1 0 392.525 0.835 40 0 GCABRO CN1CC2(CCN(C(=O)C[NH+](C)C)CC2)COc2ccccc2S1(=O)=O ZINC000096263485 208297549 /nfs/dbraw/zinc/29/75/49/208297549.db2.gz SUABENZPSOSSAE-UHFFFAOYSA-N 1 0 381.498 0.870 40 0 GCABRO CCS(=O)(=O)N1CCC2(CC3(CC[NH+](CCOC)CC3)C(=O)N2C)CC1 ZINC000096262352 208297884 /nfs/dbraw/zinc/29/78/84/208297884.db2.gz CCMCKHBRENBSIN-UHFFFAOYSA-N 1 0 387.546 0.761 40 0 GCABRO COc1ncccc1C[N@@H+]1C[C@H]2Cn3c(nn(CC4CCC4)c(=O)c3=O)[C@@H]2C1 ZINC000306135266 209103430 /nfs/dbraw/zinc/10/34/30/209103430.db2.gz OMBBUBWYYWGGGV-JKSUJKDBSA-N 1 0 383.452 0.838 40 0 GCABRO O=C(NC[C@@]1(O)COCC[N@H+](Cc2ccc3cc[nH]c3c2)C1)c1cnccn1 ZINC000257295285 209070315 /nfs/dbraw/zinc/07/03/15/209070315.db2.gz QXRZBRZDCDVESJ-FQEVSTJZSA-N 1 0 381.436 0.951 40 0 GCABRO O[C@@H]1[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccncc1 ZINC000020463854 136202642 /nfs/dbraw/zinc/20/26/42/136202642.db2.gz YJLMSYOKCOUUIB-CSEOROSGSA-N 1 0 396.491 0.847 40 0 biogenic,in-vitro GCABRO C/C=C(\C)C(=O)O[C@H]1CC[N@@H+]2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000095831480 222360758 /nfs/dbraw/zinc/36/07/58/222360758.db2.gz HRSGCYGUWHGOPY-CYVOKCENSA-N 1 0 397.468 0.305 40 0 GCABRO CS(=O)(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036350 222372432 /nfs/dbraw/zinc/37/24/32/222372432.db2.gz KDLJOVNUQMJSKA-GOSISDBHSA-N 1 0 378.498 0.445 40 0 GCABRO CC(=O)NCCC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514290443 560029225 /nfs/dbraw/zinc/02/92/25/560029225.db2.gz ZWUHPSPJDMTGCB-RBUKOAKNSA-N 1 0 386.496 0.045 40 0 biogenic,in-vitro GCABRO O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514290176 560030292 /nfs/dbraw/zinc/03/02/92/560030292.db2.gz UZFAMEZHPLDMBR-VQTJNVASSA-N 1 0 385.508 0.740 40 0 biogenic,in-vitro GCABRO COc1ncccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NC(C)C)O[C@@H]2[C@@H]1O ZINC000225511217 560042378 /nfs/dbraw/zinc/04/23/78/560042378.db2.gz VIUFRFNTEOUPDT-GRLWTPEZSA-N 1 0 379.457 0.380 40 0 biogenic,in-vitro GCABRO CN1[C@@H]2CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000035442433 560080089 /nfs/dbraw/zinc/08/00/89/560080089.db2.gz HBKDGWWNVGUOEM-NSHGMRRFSA-N 1 0 385.512 0.276 40 0 biogenic,in-vitro GCABRO CCOc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1OCCN1CCOCC1 ZINC000585272181 570242524 /nfs/dbraw/zinc/24/25/24/570242524.db2.gz JLWLBLBJMIOZMQ-OALUTQOASA-N 1 0 393.528 0.903 40 0 GCABRO O[C@]1(CN2CCOCC2)CC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000585274423 570243336 /nfs/dbraw/zinc/24/33/36/570243336.db2.gz WJERZPSIHZHVEX-NRFANRHFSA-N 1 0 375.513 0.788 40 0 GCABRO Cc1ccc(OC[C@]2(O)COCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC000585281869 570248456 /nfs/dbraw/zinc/24/84/56/570248456.db2.gz DCMNHPCVPKYZDL-LJQANCHMSA-N 1 0 398.525 0.861 40 0 GCABRO CC(C)[NH+]1CCN(C[C@@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@@H]2O)CC1 ZINC000585284380 570253329 /nfs/dbraw/zinc/25/33/29/570253329.db2.gz KOERNSUGYKWLOQ-RBUKOAKNSA-N 1 0 397.541 0.199 40 0 GCABRO COc1cccc(C[NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)c1 ZINC000585290900 570259428 /nfs/dbraw/zinc/25/94/28/570259428.db2.gz XMEHWZIJNBCLGM-MOPGFXCFSA-N 1 0 392.477 0.581 40 0 GCABRO CC[N@H+](Cc1ccncc1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O ZINC000585291052 570259554 /nfs/dbraw/zinc/25/95/54/570259554.db2.gz IQUUBFZFCXMGKA-MOPGFXCFSA-N 1 0 391.493 0.700 40 0 GCABRO CN(C)C(=O)C[NH2+]C[C@H]1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000100707156 570274948 /nfs/dbraw/zinc/27/49/48/570274948.db2.gz BHJJJWAPLBUHLK-OKILXGFUSA-N 1 0 387.484 0.584 40 0 GCABRO COc1cc(OC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cc2ccccc21 ZINC000002516259 570289696 /nfs/dbraw/zinc/28/96/96/570289696.db2.gz QXUZIMTYKVLRTG-IRXDYDNUSA-N 1 0 398.419 0.524 40 0 GCABRO CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CNC(=O)COC)[C@H](O)C2)cc1 ZINC000257224384 570487889 /nfs/dbraw/zinc/48/78/89/570487889.db2.gz FBOZBZQJLHPIGG-UYAOXDASSA-N 1 0 396.484 0.162 40 0 GCABRO CCOC(=O)N1CCN(C2=[NH+][C@@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1 ZINC000010157537 570566271 /nfs/dbraw/zinc/56/62/71/570566271.db2.gz OTBXWALYXXSIJE-CABCVRRESA-N 1 0 388.424 0.777 40 0 GCABRO C[NH+](C)CCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225800601 570618446 /nfs/dbraw/zinc/61/84/46/570618446.db2.gz NAZQDUGOBNHYOZ-UHFFFAOYSA-N 1 0 385.486 0.682 40 0 GCABRO [NH3+][C@H](C(=O)N1CCOCCOCCOCCOCCOCC1)c1ccccc1 ZINC000039988432 570741363 /nfs/dbraw/zinc/74/13/63/570741363.db2.gz JFOABEUBSGGURR-IBGZPJMESA-N 1 0 396.484 0.612 40 0 GCABRO O=C(CCCNc1ncccn1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257222792 570763132 /nfs/dbraw/zinc/76/31/32/570763132.db2.gz DUSBAAYIZIUQGW-IBGZPJMESA-N 1 0 377.489 0.745 40 0 GCABRO C[C@@]1(O)CCN(C(=O)c2cccc(OCC[NH3+])c2)C[C@H]1n1ccc(=O)[nH]c1=O ZINC000257226619 570764073 /nfs/dbraw/zinc/76/40/73/570764073.db2.gz FLJLUCUTVXTPEP-DNVCBOLYSA-N 1 0 388.424 0.125 40 0 GCABRO CN1CC[NH+](C[C@]2(O)CCCN(C(=O)CNC(=O)c3ccccc3)CC2)CC1 ZINC000257233310 570766153 /nfs/dbraw/zinc/76/61/53/570766153.db2.gz GOROSRMYIWTQTA-NRFANRHFSA-N 1 0 388.512 0.407 40 0 GCABRO Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1 ZINC000257241997 570768516 /nfs/dbraw/zinc/76/85/16/570768516.db2.gz IAOWSLVGNOENTP-HXUWFJFHSA-N 1 0 393.484 0.328 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)Cn3ccnc3C)CC2)CC1 ZINC000257284590 570775582 /nfs/dbraw/zinc/77/55/82/570775582.db2.gz PDGWWNMECGYSKT-HXUWFJFHSA-N 1 0 391.516 0.536 40 0 GCABRO CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccc(C)[nH]c3=O)CC2)CC1 ZINC000257302135 570778465 /nfs/dbraw/zinc/77/84/65/570778465.db2.gz SBQZODVXVWTCIB-HXUWFJFHSA-N 1 0 390.484 0.617 40 0 GCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cccnc1 ZINC000257344483 570785066 /nfs/dbraw/zinc/78/50/66/570785066.db2.gz ZXKSDKKKRBFOQD-YRXWBPOGSA-N 1 0 389.427 0.824 40 0 GCABRO C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 ZINC000585103559 570932116 /nfs/dbraw/zinc/93/21/16/570932116.db2.gz XUUPTJUHYYJFLA-IEBWSBKVSA-N 1 0 395.525 0.813 40 0 GCABRO Cn1cc(C(=O)N2C[C@H]3CN(CC[NH+]4CCCC4)C(=O)[C@H]3C2)c(C(F)F)n1 ZINC000585107372 570934958 /nfs/dbraw/zinc/93/49/58/570934958.db2.gz WAELVHFJMBXKLP-OLZOCXBDSA-N 1 0 381.427 0.984 40 0 GCABRO Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)c(C(F)F)n1 ZINC000585107721 570936779 /nfs/dbraw/zinc/93/67/79/570936779.db2.gz XMDPVDYIKZJAPP-CABCVRRESA-N 1 0 383.443 0.979 40 0 GCABRO O=c1c(=O)n(Cc2ccccn2)nc2n1CC[C@@]21CC[N@H+](Cc2ccco2)C1 ZINC000306127118 570937282 /nfs/dbraw/zinc/93/72/82/570937282.db2.gz FOSFIPYIUOKVPS-HXUWFJFHSA-N 1 0 379.420 0.989 40 0 GCABRO COc1ncccc1C[N@@H+]1CC[C@@]2(CCn3c2nnc(-c2nccn2C)c3=O)C1 ZINC000306132823 570940449 /nfs/dbraw/zinc/94/04/49/570940449.db2.gz LTEUIFLOLRUUBO-HXUWFJFHSA-N 1 0 393.451 0.990 40 0 GCABRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3C[C@]4(F)CNC(=O)[C@]4(F)C3)CC2)CC1 ZINC000306142243 570945792 /nfs/dbraw/zinc/94/57/92/570945792.db2.gz WUMDYQYNPFNNKJ-RTBURBONSA-N 1 0 398.454 0.098 40 0 GCABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@H]2C[N@@H+](Cc4cnn(C)c4)C[C@@H]32)cc1 ZINC000306145027 570946910 /nfs/dbraw/zinc/94/69/10/570946910.db2.gz ZVJWSJSMZTWRQX-QZTJIDSGSA-N 1 0 392.463 0.724 40 0 GCABRO COCCNC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298011 570950565 /nfs/dbraw/zinc/95/05/65/570950565.db2.gz QXHDDMPYFPQNBI-ZACQAIPSSA-N 1 0 391.516 0.903 40 0 biogenic,in-vitro GCABRO CN(C)S(=O)(=O)N1CCc2nc([C@H]3CCC[N@H+](CC4CC4)C3)[nH]c(=O)c2C1 ZINC000019583773 571014764 /nfs/dbraw/zinc/01/47/64/571014764.db2.gz XJBDVLDVKBTCDY-AWEZNQCLSA-N 1 0 395.529 0.936 40 0 GCABRO 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biogenic,in-vitro GCABRO C[C@@]1(N(CC[NH3+])S(=O)(=O)c2cccc3cccnc32)CCS(=O)(=O)C1 ZINC000575424577 530689094 /nfs/dbraw/zinc/68/90/94/530689094.db2.gz BKFQDTLYGKHFIF-MRXNPFEDSA-N 1 0 383.495 0.761 40 0 GCABRO COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccn2)CC1 ZINC000020503886 291101284 /nfs/dbraw/zinc/10/12/84/291101284.db2.gz XWGNORHEZGBSJN-GBESFXJTSA-N 1 0 387.528 0.677 40 0 biogenic,in-vitro GCABRO Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@H]2C[N@@H+](Cc4cnn(C)c4)C[C@H]32)cc1 ZINC000306145028 209108952 /nfs/dbraw/zinc/10/89/52/209108952.db2.gz ZVJWSJSMZTWRQX-ROUUACIJSA-N 1 0 392.463 0.724 40 0 GCABRO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000328979151 206239598 /nfs/dbraw/zinc/23/95/98/206239598.db2.gz GDBBSXCBMQUQGT-LLVKDONJSA-N 1 0 377.470 0.788 40 0 GCABRO CC(C)[C@@H](NC(=O)c1ccc[n+](Cc2ccccc2)c1)C(=O)N[C@@H](C)C(N)=O ZINC000001611507 206387415 /nfs/dbraw/zinc/38/74/15/206387415.db2.gz PDGAIHURTAVSLJ-MAUKXSAKSA-O 1 0 383.472 0.767 40 0 GCABRO 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COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3Cl)[C@@H](O)[C@H]2O1 ZINC000225515387 208956437 /nfs/dbraw/zinc/95/64/37/208956437.db2.gz LXPCFNBDTXSNCY-ZLJHSHKTSA-N 1 0 398.887 0.868 40 0 biogenic,in-vitro GCABRO OCCN1CC[NH+](C[C@@H](O)COCCOC23CC4CC(CC(C4)C2)C3)CC1 ZINC000041689882 209096167 /nfs/dbraw/zinc/09/61/67/209096167.db2.gz BBJNQLDCWJYPDQ-DIGXMAGLSA-N 1 0 382.545 0.959 40 0 GCABRO CCOC(=O)N1CCN(C2=[NH+][C@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1 ZINC000010157539 221098184 /nfs/dbraw/zinc/09/81/84/221098184.db2.gz OTBXWALYXXSIJE-HUUCEWRRSA-N 1 0 388.424 0.777 40 0 GCABRO O=C(NC[C@]1(O)COCC[N@H+](Cc2ccc3cc[nH]c3c2)C1)c1cnccn1 ZINC000257295286 209071241 /nfs/dbraw/zinc/07/12/41/209071241.db2.gz QXRZBRZDCDVESJ-HXUWFJFHSA-N 1 0 381.436 0.951 40 0 GCABRO [NH3+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020465423 136202557 /nfs/dbraw/zinc/20/25/57/136202557.db2.gz RDFLVIUMUOWTEP-FXUDXRNXSA-N 1 0 375.391 0.275 40 0 biogenic,in-vitro GCABRO 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O=C(Cc1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](C3CCOCC3)C2)C1 ZINC000514290178 560030180 /nfs/dbraw/zinc/03/01/80/560030180.db2.gz UZFAMEZHPLDMBR-WOJBJXKFSA-N 1 0 385.508 0.740 40 0 biogenic,in-vitro GCABRO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CO[C@@H](CN3CCC(F)(F)C3)[C@@H]2O)cc1 ZINC000514289055 560033616 /nfs/dbraw/zinc/03/36/16/560033616.db2.gz PJFPULCOMXEWPW-HRCADAONSA-N 1 0 390.452 0.649 40 0 biogenic,in-vitro GCABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3Cc4ccccc4C3)[C@@H](O)[C@H]2O1 ZINC000225516023 560042252 /nfs/dbraw/zinc/04/22/52/560042252.db2.gz ZMTTVADOIJTTHN-VXXGZENSSA-N 1 0 390.480 0.182 40 0 biogenic,in-vitro GCABRO C/C=C(/C)C(=O)O[C@@H]1CC[N@@H+]2CC=C(COC(=O)[C@@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000072188430 560078256 /nfs/dbraw/zinc/07/82/56/560078256.db2.gz HRSGCYGUWHGOPY-SWHUVEJCSA-N 1 0 397.468 0.305 40 0 biogenic,in-vitro GCABRO COC[C@H]1CCCN1C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2CC2CC2)[N@@H+]1C ZINC000035442344 560079362 /nfs/dbraw/zinc/07/93/62/560079362.db2.gz ZPLJINUZZIYZDT-XFKSJGNHSA-N 1 0 392.544 0.687 40 0 biogenic,in-vitro GCABRO C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1 ZINC000019751380 570215576 /nfs/dbraw/zinc/21/55/76/570215576.db2.gz NOIZAWLULWJNTK-GOSISDBHSA-N 1 0 382.464 0.989 40 0 GCABRO CN(C)C(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N4CC[C@@H]([NH+](C)C)C4)cn32)C1 ZINC000096267622 570227756 /nfs/dbraw/zinc/22/77/56/570227756.db2.gz HVDOTEVMRHPPAR-GDBMZVCRSA-N 1 0 399.499 0.976 40 0 GCABRO O=C1CCCN1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1 ZINC000585270603 570239369 /nfs/dbraw/zinc/23/93/69/570239369.db2.gz NHKVLAJDCPZJCW-PMACEKPBSA-N 1 0 389.496 0.565 40 0 GCABRO COc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1OCCN1CCOCC1 ZINC000585272948 570241292 /nfs/dbraw/zinc/24/12/92/570241292.db2.gz NPYYBRLDPJBIPN-ROUUACIJSA-N 1 0 379.501 0.513 40 0 GCABRO COCC(=O)N[C@@H]1CN(Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H]1O ZINC000585271721 570242017 /nfs/dbraw/zinc/24/20/17/570242017.db2.gz GTMCTWLSALNGOZ-WOJBJXKFSA-N 1 0 391.512 0.859 40 0 GCABRO CN1CCC([NH2+]C[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)CC1 ZINC000585286308 570255538 /nfs/dbraw/zinc/25/55/38/570255538.db2.gz YRMAJXBUSZXROB-HKUYNNGSSA-N 1 0 381.904 0.962 40 0 GCABRO CC(=O)N1CC[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)C[C@@H](C(N)=O)C1 ZINC000585289173 570257341 /nfs/dbraw/zinc/25/73/41/570257341.db2.gz NIMWCNFTNOLPAC-GDAAHCPNSA-N 1 0 375.469 0.613 40 0 GCABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000585289870 570257883 /nfs/dbraw/zinc/25/78/83/570257883.db2.gz LQOWBEGAEIKBEH-MSOLQXFVSA-N 1 0 398.431 0.851 40 0 GCABRO O=C(CCc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(CO)CC2)[C@@H](O)C1 ZINC000585290873 570259371 /nfs/dbraw/zinc/25/93/71/570259371.db2.gz WZFOTNJXVBIMKC-FPOVZHCZSA-N 1 0 376.497 0.648 40 0 GCABRO O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(CCO)CC2)[C@@H](O)C1 ZINC000585290860 570259432 /nfs/dbraw/zinc/25/94/32/570259432.db2.gz WVBWUCMCABPMBE-FPOVZHCZSA-N 1 0 376.497 0.648 40 0 GCABRO COc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCOCC1 ZINC000113939748 570334928 /nfs/dbraw/zinc/33/49/28/570334928.db2.gz LVYDDWMFDWZIPW-UHFFFAOYSA-N 1 0 397.497 0.540 40 0 GCABRO Cc1ccc(N([C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)cc1 ZINC000022933756 570337597 /nfs/dbraw/zinc/33/75/97/570337597.db2.gz JCXOBKCKSDPLAR-KRWDZBQOSA-N 1 0 396.557 0.903 40 0 GCABRO COc1cccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)c1 ZINC000022933912 570337743 /nfs/dbraw/zinc/33/77/43/570337743.db2.gz ZOPXYKRVJLMIEZ-UHFFFAOYSA-N 1 0 398.529 0.215 40 0 GCABRO O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3cnccc3Cl)[C@@H](O)[C@H]2O1)NC1CC1 ZINC000604381856 570352613 /nfs/dbraw/zinc/35/26/13/570352613.db2.gz RPOUUDRMATWMJF-UUWMRLDISA-N 1 0 381.860 0.779 40 0 biogenic,in-vitro GCABRO Cc1cccc(N(CC(=O)NCCCN2CC[NH+](C)CC2)S(C)(=O)=O)c1C ZINC000022829610 570377678 /nfs/dbraw/zinc/37/76/78/570377678.db2.gz OLTGKRJFLHOSCI-UHFFFAOYSA-N 1 0 396.557 0.823 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cc(C)on3)CC2)CC1 ZINC000257232209 570765427 /nfs/dbraw/zinc/76/54/27/570765427.db2.gz GJVPMMZSMLZWJK-LJQANCHMSA-N 1 0 378.473 0.941 40 0 GCABRO O=c1[nH]c(=O)c2cc(S(=O)(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3CCO)ccc2[nH]1 ZINC000257255721 570771037 /nfs/dbraw/zinc/77/10/37/570771037.db2.gz KIPHIYDSGLRYDV-RYUDHWBXSA-N 1 0 394.453 0.261 40 0 GCABRO O=C(CN1CC(=O)NC1=O)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000257287467 570776092 /nfs/dbraw/zinc/77/60/92/570776092.db2.gz PQCILRSJDCXSSZ-INIZCTEOSA-N 1 0 388.415 0.013 40 0 GCABRO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]21 ZINC000585109551 570938013 /nfs/dbraw/zinc/93/80/13/570938013.db2.gz BGPJVLICLPSCGB-ABSDTBQOSA-N 1 0 375.469 0.624 40 0 GCABRO COc1cc(N2CCc3nc4c(c(=O)n3CC2)C[N@@H+](CC2CC2)CC4)ncn1 ZINC000306141945 570945749 /nfs/dbraw/zinc/94/57/49/570945749.db2.gz WLAAFWFDYYTMHV-UHFFFAOYSA-N 1 0 382.468 0.873 40 0 GCABRO Cn1c2nc(N3CC[NH2+]CC3)n(Cc3c(F)cccc3Cl)c2c(=O)[nH]c1=O ZINC000005147947 570995705 /nfs/dbraw/zinc/99/57/05/570995705.db2.gz ISSDPDVHHMAGEC-UHFFFAOYSA-N 1 0 392.822 0.674 40 0 GCABRO Cn1c2ccc(C[NH+]3CCC(C(N)=O)(N4CCOCC4)CC3)cc2n(C)c1=O ZINC000019657809 571024280 /nfs/dbraw/zinc/02/42/80/571024280.db2.gz IYHZGMMHZGKJOV-UHFFFAOYSA-N 1 0 387.484 0.029 40 0 GCABRO C[N@H+](CCc1ccccn1)[C@H]1[C@@H](CNC(=O)c2ccccc2)O[C@@H](CO)[C@H]1O ZINC000020465860 575368557 /nfs/dbraw/zinc/36/85/57/575368557.db2.gz PDIRINRZFPENPZ-FUMNGEBKSA-N 1 0 385.464 0.475 40 0 biogenic,in-vitro GCABRO C[NH+](C)CC(=O)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 ZINC001772595345 1187053244 /nfs/dbraw/zinc/05/32/44/1187053244.db2.gz OPEMDYDXGPFDER-GOSISDBHSA-N 1 0 386.496 0.610 40 0 GCABRO COCCN1C(=O)[C@H]2C[N@H+](C)CCN2C12CCN(C(=O)c1cccnc1)CC2 ZINC001772595426 1187053548 /nfs/dbraw/zinc/05/35/48/1187053548.db2.gz VLMJKQAOYWXVGX-QGZVFWFLSA-N 1 0 387.484 0.119 40 0 GCABRO COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710651 1199838213 /nfs/dbraw/zinc/83/82/13/1199838213.db2.gz SRUREDZKZXQLQL-ZDUSSCGKSA-N 1 0 377.470 0.958 40 0 GCABRO O=S(=O)(c1cncc(Br)c1N1CC[NH2+]CC1)N1CCOCC1 ZINC000072210899 530255237 /nfs/dbraw/zinc/25/52/37/530255237.db2.gz CLWURIDXAJNEJU-UHFFFAOYSA-N 1 0 391.291 0.275 40 0 GCABRO COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCC(N)=O ZINC000016363647 530376040 /nfs/dbraw/zinc/37/60/40/530376040.db2.gz SOBXGJRRDREHFI-UHFFFAOYSA-N 1 0 386.865 0.618 40 0 GCABRO O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000057611378 530495906 /nfs/dbraw/zinc/49/59/06/530495906.db2.gz IJKPKZGMVXHRDM-CQSZACIVSA-N 1 0 385.511 0.596 40 0 GCABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O ZINC000514289028 531082699 /nfs/dbraw/zinc/08/26/99/531082699.db2.gz OLRPGJZGZMZIGH-UQOMUDLDSA-N 1 0 376.500 0.266 40 0 biogenic,in-vitro GCABRO O=C([C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1)N1CCOCC1 ZINC000008299858 291102873 /nfs/dbraw/zinc/10/28/73/291102873.db2.gz LAZWYZSFYZRHSF-ZACQAIPSSA-N 1 0 389.500 0.609 40 0 biogenic,in-vitro GCABRO C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C(=O)N3CCOCC3)CCN21 ZINC000253399772 212136041 /nfs/dbraw/zinc/13/60/41/212136041.db2.gz JXIKPIWZQGJEJG-CTNGQTDRSA-N 1 0 388.512 0.692 40 0 biogenic,in-vitro GCABRO CC(C)[C@@H](CO)Nc1nc(NCCN2CC[NH+](C)CC2)cc(C(F)(F)F)n1 ZINC000328994515 212092141 /nfs/dbraw/zinc/09/21/41/212092141.db2.gz JFEBZQVQNMABRT-CYBMUJFWSA-N 1 0 390.454 0.427 40 0 GCABRO C[NH+](C)CCNc1nccc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 ZINC000329054030 212095198 /nfs/dbraw/zinc/09/51/98/212095198.db2.gz VJDSJRDAXQZSKE-UHFFFAOYSA-N 1 0 376.486 0.660 40 0 GCABRO CN(C)c1cccc(C(=O)N[C@@H]2CCc3ncc(C(=O)NCC[NH+](C)C)n3C2)c1 ZINC000306141324 209106073 /nfs/dbraw/zinc/10/60/73/209106073.db2.gz VRZSGXPSZICNJY-MRXNPFEDSA-N 1 0 398.511 0.985 40 0 GCABRO NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)C1 ZINC000019663743 207147590 /nfs/dbraw/zinc/14/75/90/207147590.db2.gz XPAJNHODUYEDRF-AWEZNQCLSA-N 1 0 394.497 0.752 40 0 GCABRO CC(=O)NCC(=O)N1CCC[C@H]1c1cc(N2CCN(C(C)=O)CC2)cc(C)[nH+]1 ZINC000019698323 207148278 /nfs/dbraw/zinc/14/82/78/207148278.db2.gz HXPLIHPPOTYIKW-IBGZPJMESA-N 1 0 387.484 0.858 40 0 GCABRO CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(C)=O)CC2)cc(C)[nH+]1 ZINC000019698322 207148529 /nfs/dbraw/zinc/14/85/29/207148529.db2.gz HXPLIHPPOTYIKW-LJQANCHMSA-N 1 0 387.484 0.858 40 0 GCABRO CCOc1cc(CNCC[NH2+]CCO)cc(Br)c1OCC(N)=O ZINC000019691207 207148810 /nfs/dbraw/zinc/14/88/10/207148810.db2.gz QDKRPXBWXYPKKO-UHFFFAOYSA-N 1 0 390.278 0.383 40 0 GCABRO CNC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC[NH+](C)C)[C@H]2CC1 ZINC000096145919 208273664 /nfs/dbraw/zinc/27/36/64/208273664.db2.gz CFKNQQICEVBCRH-GJZGRUSLSA-N 1 0 396.513 0.804 40 0 GCABRO CCN1Cc2c(C(=O)NCC[NH+](C)C)ncn2-c2ccccc2S1(=O)=O ZINC000096147351 208273846 /nfs/dbraw/zinc/27/38/46/208273846.db2.gz QYPXWIDDMPSENT-UHFFFAOYSA-N 1 0 377.470 0.688 40 0 GCABRO CS(=O)(=O)N1CCC2(C[N@H+](Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036351 208252876 /nfs/dbraw/zinc/25/28/76/208252876.db2.gz KDLJOVNUQMJSKA-SFHVURJKSA-N 1 0 378.498 0.445 40 0 GCABRO CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](CC1CCOCC1)C2 ZINC000096050465 208256640 /nfs/dbraw/zinc/25/66/40/208256640.db2.gz GMEWTZKYSZNZBG-IBGZPJMESA-N 1 0 375.473 0.486 40 0 GCABRO CC(C)NC(=O)N1CCC2(CC1)O[C@H](C(=O)NCC[NH+](C)C)Cn1ccnc12 ZINC000096263217 208298213 /nfs/dbraw/zinc/29/82/13/208298213.db2.gz UFENRQNHECOVCN-HNNXBMFYSA-N 1 0 392.504 0.369 40 0 GCABRO CC[NH+]1CCC(C(=O)N2CC3(C2)CN(CC2CC2)[C@H](C(=O)NC)CO3)CC1 ZINC000249684728 209031907 /nfs/dbraw/zinc/03/19/07/209031907.db2.gz FAVSGWVCTZHBDI-KRWDZBQOSA-N 1 0 378.517 0.156 40 0 GCABRO CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C[NH+]3CCCC3)c3ncccc23)C1 ZINC000019016539 221393646 /nfs/dbraw/zinc/39/36/46/221393646.db2.gz QSXHCWZUQGSSEK-MRXNPFEDSA-N 1 0 384.484 0.979 40 0 GCABRO CCOC(=O)C1=C(O)NC(N2CCN(C=O)CC2)=[NH+][C@H]1c1ccc(Cl)cc1 ZINC000020637059 221507451 /nfs/dbraw/zinc/50/74/51/221507451.db2.gz NYJINFLWUYXNNF-CABCVRRESA-N 1 0 392.843 0.820 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccnc(C)n3)CC2)CC1 ZINC000257306372 209071968 /nfs/dbraw/zinc/07/19/68/209071968.db2.gz SUAZJWFCOFEUOJ-HXUWFJFHSA-N 1 0 389.500 0.743 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cn(C)nc3C)CC2)CC1 ZINC000257320978 209075280 /nfs/dbraw/zinc/07/52/80/209075280.db2.gz VZOXCODEMFRUFQ-HXUWFJFHSA-N 1 0 391.516 0.686 40 0 GCABRO C[N@H+](CCO)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)c1cocn1 ZINC000257327239 209076094 /nfs/dbraw/zinc/07/60/94/209076094.db2.gz XAPDOMUETCALNN-SIXLDLHFSA-N 1 0 379.388 0.417 40 0 GCABRO Cc1noc(C)c1S(=O)(=O)N1CC[NH2+]C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355220 222238716 /nfs/dbraw/zinc/23/87/16/222238716.db2.gz FAGYLRMLQKLVGD-CQSZACIVSA-N 1 0 394.501 0.600 40 0 GCABRO COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCC(N)=O ZINC000022075594 533875343 /nfs/dbraw/zinc/87/53/43/533875343.db2.gz RDIGADSKUQOMNQ-JTQLQIEISA-N 1 0 390.278 0.382 40 0 GCABRO CC(=O)NCCC(=O)N1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514290444 560029283 /nfs/dbraw/zinc/02/92/83/560029283.db2.gz ZWUHPSPJDMTGCB-RTBURBONSA-N 1 0 386.496 0.045 40 0 biogenic,in-vitro GCABRO COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]Cc3ccccc3OC)[C@@H](O)[C@H]2O1 ZINC000225515444 560042176 /nfs/dbraw/zinc/04/21/76/560042176.db2.gz UQOXTQIWESHOLS-UZKILMIQSA-N 1 0 394.468 0.223 40 0 biogenic,in-vitro GCABRO Cc1ccccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O ZINC000225513826 560042351 /nfs/dbraw/zinc/04/23/51/560042351.db2.gz MFYSCIATMOUMOB-VXXGZENSSA-N 1 0 390.480 0.619 40 0 biogenic,in-vitro GCABRO CS(=O)(=O)c1ccc(OC[C@@]2(C[NH2+]C3CCOCC3)C[C@@H](O)[C@@H](O)C2)cc1 ZINC000107283789 560044716 /nfs/dbraw/zinc/04/47/16/560044716.db2.gz FRCOCKFEUBLWFG-BWTSREIZSA-N 1 0 399.509 0.740 40 0 biogenic,in-vitro GCABRO COc1ccc(C[NH2+][C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)cc1 ZINC000077264637 560046421 /nfs/dbraw/zinc/04/64/21/560046421.db2.gz PNRPQLSHTIYAOZ-QRVBRYPASA-N 1 0 392.477 0.892 40 0 biogenic,in-vitro GCABRO CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CC[N@@H+]2C2CCOCC2)N1C ZINC000035442515 560079909 /nfs/dbraw/zinc/07/99/09/560079909.db2.gz HRCDHPQMAVMQIW-SCTDSRPQSA-N 1 0 380.533 0.687 40 0 biogenic,in-vitro GCABRO Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCC(C)CC2)cc1 ZINC000030879783 560090065 /nfs/dbraw/zinc/09/00/65/560090065.db2.gz BXROCECJPOFTLR-YDZRNGNQSA-N 1 0 398.525 0.494 40 0 biogenic,in-vitro GCABRO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)CN21)N1CCCC1 ZINC000022936700 560091809 /nfs/dbraw/zinc/09/18/09/560091809.db2.gz GELUFBGSBZTFKW-DAYGRLMNSA-N 1 0 390.484 0.205 40 0 biogenic,in-vitro GCABRO CC(C)NC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(CO)o3)CN21 ZINC000022936678 560091850 /nfs/dbraw/zinc/09/18/50/560091850.db2.gz JPTSTLNYCYZAMH-VBQJREDUSA-N 1 0 378.473 0.108 40 0 biogenic,in-vitro GCABRO C[NH+](C)CCCNc1nc(NCCN2CCOCC2)cc(-c2ccccn2)n1 ZINC000329069920 570216784 /nfs/dbraw/zinc/21/67/84/570216784.db2.gz ZBGDRQCURZTDCE-UHFFFAOYSA-N 1 0 385.516 0.490 40 0 GCABRO Cn1c2c(nc1C(=O)N1CCC[N@H+](C)CC1)CN(C(=O)c1ccccn1)CC2 ZINC000096264865 570226926 /nfs/dbraw/zinc/22/69/26/570226926.db2.gz ZBTFZVACVYTYCX-UHFFFAOYSA-N 1 0 382.468 0.791 40 0 GCABRO CN(C)C(=O)N1CC[C@H](c2nnc3ccc(C(=O)N4CC[C@@H]([NH+](C)C)C4)cn32)C1 ZINC000096267624 570227587 /nfs/dbraw/zinc/22/75/87/570227587.db2.gz HVDOTEVMRHPPAR-GOEBONIOSA-N 1 0 399.499 0.976 40 0 GCABRO CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(OCCn3cccn3)cc2)C[C@H]1O ZINC000585270031 570238584 /nfs/dbraw/zinc/23/85/84/570238584.db2.gz CCJUQBBAEWKIFD-WOJBJXKFSA-N 1 0 388.468 0.396 40 0 GCABRO CC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585281486 570247499 /nfs/dbraw/zinc/24/74/99/570247499.db2.gz JWTFCURLCYFXOX-NRFANRHFSA-N 1 0 389.496 0.972 40 0 GCABRO CC(=O)N1CCC([N@@H+]2CCN(C(C)=O)C[C@](O)(COc3ccccc3)C2)CC1 ZINC000585281487 570247525 /nfs/dbraw/zinc/24/75/25/570247525.db2.gz JWTFCURLCYFXOX-OAQYLSRUSA-N 1 0 389.496 0.972 40 0 GCABRO O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2ccccn2)C1 ZINC000585286283 570255677 /nfs/dbraw/zinc/25/56/77/570255677.db2.gz YKSOSAJMFWDLKF-ZWKOTPCHSA-N 1 0 377.466 0.358 40 0 GCABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CC2CCOCC2)C1 ZINC000585288922 570256735 /nfs/dbraw/zinc/25/67/35/570256735.db2.gz ASIUWZARMIVDAW-MJGOQNOKSA-N 1 0 382.888 0.833 40 0 GCABRO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]CCc2ccc(F)cc2)C1 ZINC000585291007 570259457 /nfs/dbraw/zinc/25/94/57/570259457.db2.gz ZCEIMLZYYVAASV-MOPGFXCFSA-N 1 0 394.468 0.754 40 0 GCABRO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020800256 570281336 /nfs/dbraw/zinc/28/13/36/570281336.db2.gz ULXBASMPUGCQQT-GOSISDBHSA-N 1 0 387.480 0.831 40 0 GCABRO COc1ncccc1C[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NC3CC3)O[C@@H]2[C@@H]1O ZINC000604381659 570352757 /nfs/dbraw/zinc/35/27/57/570352757.db2.gz JRXQDJKLIFHKMM-GRLWTPEZSA-N 1 0 377.441 0.134 40 0 biogenic,in-vitro GCABRO COCCNC(=O)c1cc(S(=O)(=O)NCCCN2CCOCC2)ccc1C ZINC000408621679 570371448 /nfs/dbraw/zinc/37/14/48/570371448.db2.gz LWGVUCURIJYILK-UHFFFAOYSA-N 1 0 399.513 0.372 40 0 GCABRO C[NH+]1CCN(CCCNC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CC1 ZINC000022829702 570377613 /nfs/dbraw/zinc/37/76/13/570377613.db2.gz CYBNVYDPJAYYGZ-UHFFFAOYSA-N 1 0 386.493 0.345 40 0 GCABRO COc1ccccc1N(CC(=O)NCCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000022829696 570377646 /nfs/dbraw/zinc/37/76/46/570377646.db2.gz ZOLJTNRKXZXXJC-UHFFFAOYSA-N 1 0 398.529 0.215 40 0 GCABRO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000257234911 570487918 /nfs/dbraw/zinc/48/79/18/570487918.db2.gz GVOVOUDRVQXMAU-PMACEKPBSA-N 1 0 385.512 0.792 40 0 GCABRO C[NH+]1CCN(CCCNS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 ZINC000225087814 570547819 /nfs/dbraw/zinc/54/78/19/570547819.db2.gz DZBVDPFHSQQBJV-UHFFFAOYSA-N 1 0 394.497 0.256 40 0 GCABRO Cc1nc(C)c(CC(=O)N2CCC[C@](O)(C[NH+]3CCOCC3)CC2)c(=O)[nH]1 ZINC000257211295 570761736 /nfs/dbraw/zinc/76/17/36/570761736.db2.gz BYJNDYDAPTVWJD-LJQANCHMSA-N 1 0 378.473 0.417 40 0 GCABRO CC(=O)Nc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCOCC3)CC2)ccn1 ZINC000257227082 570764003 /nfs/dbraw/zinc/76/40/03/570764003.db2.gz FNNQOZYVTCXWND-IBGZPJMESA-N 1 0 376.457 0.729 40 0 GCABRO O=C(C[NH+]1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O)N1CCOCC1 ZINC000257226621 570764127 /nfs/dbraw/zinc/76/41/27/570764127.db2.gz FLJQJISPXURIFO-MJGOQNOKSA-N 1 0 387.480 0.550 40 0 GCABRO CC(=O)Nc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCOCC3)CC2)ccn1 ZINC000257227083 570764218 /nfs/dbraw/zinc/76/42/18/570764218.db2.gz FNNQOZYVTCXWND-LJQANCHMSA-N 1 0 376.457 0.729 40 0 GCABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(CC(=O)Nc1ccc4[nH]c(=O)[nH]c4c1)C2)[C@H]3O ZINC000257231013 570765178 /nfs/dbraw/zinc/76/51/78/570765178.db2.gz GEUWZBKLPZPMEW-VFJAGCFOSA-N 1 0 399.495 0.960 40 0 GCABRO Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+](C)CCO ZINC000257235402 570766676 /nfs/dbraw/zinc/76/66/76/570766676.db2.gz GXROPRFSIYVCRB-BGTYHANMSA-N 1 0 392.431 0.163 40 0 GCABRO Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1 ZINC000257241996 570768498 /nfs/dbraw/zinc/76/84/98/570768498.db2.gz IAOWSLVGNOENTP-FQEVSTJZSA-N 1 0 393.484 0.328 40 0 GCABRO CN(C)c1ncnc2c1ncn2[C@@H]1CC[C@@H]([NH2+]Cc2ccccn2)[C@@H](O)[C@@H]1O ZINC000257296693 570777509 /nfs/dbraw/zinc/77/75/09/570777509.db2.gz RDZGZYAJOPMIQO-MUIFIZLQSA-N 1 0 383.456 0.502 40 0 GCABRO CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3cnn(C)c3)CC2)CC1 ZINC000257309875 570779932 /nfs/dbraw/zinc/77/99/32/570779932.db2.gz UCSXFZJTPCBEHF-LJQANCHMSA-N 1 0 377.489 0.378 40 0 GCABRO CC(=O)N[C@@H]1C[NH2+]C2(C1)CCN(S(=O)(=O)c1cn(C(C)C)nc1C)CC2 ZINC000019704222 570896385 /nfs/dbraw/zinc/89/63/85/570896385.db2.gz OPPGLNQHHKPBTP-HNNXBMFYSA-N 1 0 383.518 0.794 40 0 GCABRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)cc1 ZINC000052410669 570915390 /nfs/dbraw/zinc/91/53/90/570915390.db2.gz XCLTYAXELAKDOB-KRWDZBQOSA-N 1 0 395.525 0.844 40 0 GCABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CC4)nc2CO3)cc1 ZINC000306125740 570936725 /nfs/dbraw/zinc/93/67/25/570936725.db2.gz DAGGDVBCYBGGHU-OAQYLSRUSA-N 1 0 398.463 0.999 40 0 GCABRO Cn1cc(C[N@@H+]2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)cn1 ZINC000306131530 570939927 /nfs/dbraw/zinc/93/99/27/570939927.db2.gz KHZORKBLXLQVRV-NRFANRHFSA-N 1 0 392.463 0.635 40 0 GCABRO CCOC(=O)[C@@]12C[N@H+](CCN(C)C)C[C@@H]1CN(C(=O)c1ncn(C)n1)CCC2 ZINC000585108096 570940153 /nfs/dbraw/zinc/94/01/53/570940153.db2.gz XGTYWDRSMNTTKM-BEFAXECRSA-N 1 0 392.504 0.094 40 0 GCABRO O=C([C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1)N1CCOCC1 ZINC000008253945 1197302533 /nfs/dbraw/zinc/30/25/33/1197302533.db2.gz IBQJQVFJCZATNU-BBWFWOEESA-N 1 0 382.468 0.909 40 0 biogenic,in-vitro GCABRO