smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCCn1cc[nH+]c1)c1cc2cc(Br)ccc2oc1=O ZINC000036627528 205019543 /nfs/dbraw/zinc/01/95/43/205019543.db2.gz WIVRHHQXEDFKMW-UHFFFAOYSA-N 1 2 376.210 2.572 40 0 GFABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000040384991 205063078 /nfs/dbraw/zinc/06/30/78/205063078.db2.gz LLLHMLXLUGUULP-UHFFFAOYSA-N 1 2 398.898 2.703 40 0 GFABLO Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1OCC[NH+]1CCC(C)CC1 ZINC000057823203 205161087 /nfs/dbraw/zinc/16/10/87/205161087.db2.gz RAVXFAGZKLYXJR-UHFFFAOYSA-N 1 2 392.525 2.640 40 0 GFABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072350639 205330647 /nfs/dbraw/zinc/33/06/47/205330647.db2.gz JGELSIYQCWPDBS-KRWDZBQOSA-N 1 2 376.464 2.568 40 0 GFABLO COc1ccc(CC(=O)N2CCC(c3nccnc3-n3cc[nH+]c3)CC2)cc1 ZINC000072350655 205331894 /nfs/dbraw/zinc/33/18/94/205331894.db2.gz RZROPXAWQDWJJX-UHFFFAOYSA-N 1 2 377.448 2.620 40 0 GFABLO COc1cccc(C(=O)N2CC[C@H](C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)C2)c1 ZINC000072392176 205341554 /nfs/dbraw/zinc/34/15/54/205341554.db2.gz OSXSIVIIPPEYHF-HNNXBMFYSA-N 1 2 378.432 2.981 40 0 GFABLO CSc1nc(NCCOC(=O)c2snnc2-c2coc(C)n2)cc(C)[nH+]1 ZINC000223861971 206007964 /nfs/dbraw/zinc/00/79/64/206007964.db2.gz BBIQTRNDQBPFKU-UHFFFAOYSA-N 1 2 392.466 2.591 40 0 GFABLO C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000225438604 206048086 /nfs/dbraw/zinc/04/80/86/206048086.db2.gz PCDQJADLNDBWOR-HNNXBMFYSA-N 1 2 378.432 2.752 40 0 biogenic,in-vitro GFABLO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)n1 ZINC000096111815 206115343 /nfs/dbraw/zinc/11/53/43/206115343.db2.gz MQWMCXSFLICQCO-HKUYNNGSSA-N 1 2 379.460 2.869 40 0 biogenic,in-vitro GFABLO COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)n1 ZINC000096111815 206115349 /nfs/dbraw/zinc/11/53/49/206115349.db2.gz MQWMCXSFLICQCO-HKUYNNGSSA-N 1 2 379.460 2.869 40 0 biogenic,in-vitro GFABLO Cc1cc2nc(CCC(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)[nH]c2cc1C ZINC000257302878 206176025 /nfs/dbraw/zinc/17/60/25/206176025.db2.gz SETXZBYBBGNLRT-OALUTQOASA-N 1 2 381.480 2.533 40 0 GFABLO Cn1cc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccsc5)ccc34)C2)cn1 ZINC000306128859 206198780 /nfs/dbraw/zinc/19/87/80/206198780.db2.gz HMXAWWDOJJGSIW-LJQANCHMSA-N 1 2 393.520 2.680 40 0 GFABLO Cn1cc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccsc5)ccc34)C2)cn1 ZINC000306128859 206198785 /nfs/dbraw/zinc/19/87/85/206198785.db2.gz HMXAWWDOJJGSIW-LJQANCHMSA-N 1 2 393.520 2.680 40 0 GFABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccccn1)CCO2 ZINC000306128326 206199623 /nfs/dbraw/zinc/19/96/23/206199623.db2.gz GXJLQFZZCQFHTE-YLJYHZDGSA-N 1 2 386.521 2.790 40 0 GFABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccccn1)CCO2 ZINC000306128326 206199627 /nfs/dbraw/zinc/19/96/27/206199627.db2.gz GXJLQFZZCQFHTE-YLJYHZDGSA-N 1 2 386.521 2.790 40 0 GFABLO COCCN1CCC[C@]2(C[N@H+](Cc3cccnc3Cl)CC(F)(F)C2)C1=O ZINC000306133158 206201248 /nfs/dbraw/zinc/20/12/48/206201248.db2.gz MDRSTCAQZICZFT-KRWDZBQOSA-N 1 2 387.858 2.831 40 0 GFABLO COCCN1CCC[C@]2(C[N@@H+](Cc3cccnc3Cl)CC(F)(F)C2)C1=O ZINC000306133158 206201252 /nfs/dbraw/zinc/20/12/52/206201252.db2.gz MDRSTCAQZICZFT-KRWDZBQOSA-N 1 2 387.858 2.831 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118407 221153056 /nfs/dbraw/zinc/15/30/56/221153056.db2.gz QASCWBIGXCXKGQ-CQSZACIVSA-N 1 2 382.424 2.555 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118407 221153059 /nfs/dbraw/zinc/15/30/59/221153059.db2.gz QASCWBIGXCXKGQ-CQSZACIVSA-N 1 2 382.424 2.555 40 0 GFABLO CN(Cc1ccccc1)c1ccc2ccc(C(=O)NCC[NH+]3CCOCC3)cn21 ZINC000096146140 570213775 /nfs/dbraw/zinc/21/37/75/570213775.db2.gz CLTBEWLJSCYYJC-UHFFFAOYSA-N 1 2 392.503 2.638 40 0 GFABLO CC(C)c1ccc([C@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)cc1 ZINC000021123184 570291374 /nfs/dbraw/zinc/29/13/74/570291374.db2.gz VXDLMPVJGUCHDL-LJQANCHMSA-N 1 2 394.519 2.627 40 0 GFABLO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236950 570309519 /nfs/dbraw/zinc/30/95/19/570309519.db2.gz VWNLWEVVHUITKB-UHFFFAOYSA-N 1 2 381.398 2.818 40 0 GFABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1C ZINC000057670345 570367778 /nfs/dbraw/zinc/36/77/78/570367778.db2.gz IQDBEQLWPSJOIY-FPOVZHCZSA-N 1 2 398.555 2.988 40 0 GFABLO O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030939916 570501501 /nfs/dbraw/zinc/50/15/01/570501501.db2.gz ALHRDTRZGPVAMR-UHFFFAOYSA-N 1 2 390.443 2.656 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 ZINC000014607413 570893200 /nfs/dbraw/zinc/89/32/00/570893200.db2.gz ONYCNNRYPLGFAB-XJKSGUPXSA-N 1 2 378.856 2.555 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 ZINC000014607413 570893203 /nfs/dbraw/zinc/89/32/03/570893203.db2.gz ONYCNNRYPLGFAB-XJKSGUPXSA-N 1 2 378.856 2.555 40 0 GFABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)[nH+]c(C)n12 ZINC000019240451 570969314 /nfs/dbraw/zinc/96/93/14/570969314.db2.gz YAIOBUOKIZYHGS-AWEZNQCLSA-N 1 2 384.509 2.888 40 0 GFABLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000019289904 570971457 /nfs/dbraw/zinc/97/14/57/570971457.db2.gz CCJONEMNJPGAPT-IBGZPJMESA-N 1 2 378.480 2.537 40 0 GFABLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000019289904 570971458 /nfs/dbraw/zinc/97/14/58/570971458.db2.gz CCJONEMNJPGAPT-IBGZPJMESA-N 1 2 378.480 2.537 40 0 GFABLO O=C(CCc1cc(=O)[nH]o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019346470 570978186 /nfs/dbraw/zinc/97/81/86/570978186.db2.gz KVZKNSWUBMBZFN-UHFFFAOYSA-N 1 2 386.839 2.863 40 0 GFABLO O=C(c1ccccc1F)N1CCCc2cc([C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000019347581 570978284 /nfs/dbraw/zinc/97/82/84/570978284.db2.gz VOBYHIPHXXOKJK-OAQYLSRUSA-N 1 2 384.451 2.784 40 0 GFABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019501160 570992600 /nfs/dbraw/zinc/99/26/00/570992600.db2.gz KGDUYVGNXNEEJB-UHFFFAOYSA-N 1 2 385.512 2.708 40 0 GFABLO CCCC(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019501160 570992603 /nfs/dbraw/zinc/99/26/03/570992603.db2.gz KGDUYVGNXNEEJB-UHFFFAOYSA-N 1 2 385.512 2.708 40 0 GFABLO Cc1nc2ccc(C(=O)N3CCc4nnc([C@H]5CCC[N@H+]5C)n4CC3)cc2s1 ZINC000019706302 571032238 /nfs/dbraw/zinc/03/22/38/571032238.db2.gz MRWDNNFIGRLTMW-MRXNPFEDSA-N 1 2 396.520 2.661 40 0 GFABLO Cc1nc2ccc(C(=O)N3CCc4nnc([C@H]5CCC[N@@H+]5C)n4CC3)cc2s1 ZINC000019706302 571032240 /nfs/dbraw/zinc/03/22/40/571032240.db2.gz MRWDNNFIGRLTMW-MRXNPFEDSA-N 1 2 396.520 2.661 40 0 GFABLO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2ccccc21 ZINC000408713008 231103292 /nfs/dbraw/zinc/10/32/92/231103292.db2.gz GAZPORVMGWAHFI-UHFFFAOYSA-N 1 2 375.472 2.979 40 0 GFABLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628860 204187349 /nfs/dbraw/zinc/18/73/49/204187349.db2.gz NSUWDHSSVSZBJZ-IBGZPJMESA-N 1 2 379.416 2.991 40 0 GFABLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628860 204187352 /nfs/dbraw/zinc/18/73/52/204187352.db2.gz NSUWDHSSVSZBJZ-IBGZPJMESA-N 1 2 379.416 2.991 40 0 GFABLO CCCCc1nc(Cl)c(C[N@@H+]2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)[nH]1 ZINC000012087378 204370827 /nfs/dbraw/zinc/37/08/27/204370827.db2.gz AOHWCIWBUSNJJT-UHFFFAOYSA-N 1 2 390.919 2.648 40 0 GFABLO CCCCc1nc(Cl)c(C[N@H+]2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)[nH]1 ZINC000012087378 204370832 /nfs/dbraw/zinc/37/08/32/204370832.db2.gz AOHWCIWBUSNJJT-UHFFFAOYSA-N 1 2 390.919 2.648 40 0 GFABLO Cc1nn(C)cc1S(=O)(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000057823207 205160337 /nfs/dbraw/zinc/16/03/37/205160337.db2.gz XTXOSOIFEFNKRO-UHFFFAOYSA-N 1 2 392.525 2.640 40 0 GFABLO Cc1noc(CCC(=O)N2CC[C@@H](c3cc(-c4ccc(N)[nH+]c4)cc(C)n3)C2)n1 ZINC000072374717 205336998 /nfs/dbraw/zinc/33/69/98/205336998.db2.gz CJWBGAXCXVPJSO-MRXNPFEDSA-N 1 2 392.463 2.674 40 0 GFABLO O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225735964 206070901 /nfs/dbraw/zinc/07/09/01/206070901.db2.gz YWFWGXHGHYAEFH-UHFFFAOYSA-N 1 2 395.890 2.999 40 0 GFABLO Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 ZINC000096111792 206116122 /nfs/dbraw/zinc/11/61/22/206116122.db2.gz LZGPBZGEEJKEGX-ICSRJNTNSA-N 1 2 388.471 2.989 40 0 biogenic,in-vitro GFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(-c3cncnc3)n2)CC[N@@H+]1C ZINC000257255164 206167749 /nfs/dbraw/zinc/16/77/49/206167749.db2.gz KGJRJKWVGRNGKB-FQEVSTJZSA-N 1 2 389.459 2.676 40 0 GFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(-c3cncnc3)n2)CC[N@H+]1C ZINC000257255164 206167751 /nfs/dbraw/zinc/16/77/51/206167751.db2.gz KGJRJKWVGRNGKB-FQEVSTJZSA-N 1 2 389.459 2.676 40 0 GFABLO CC(=O)N1CCC[C@@H]2N(C(=O)C[N@@H+](C)Cc3ccccc3F)CCC[C@@]21C ZINC000257259382 206167781 /nfs/dbraw/zinc/16/77/81/206167781.db2.gz KYDFSPSXEQUNMU-FPOVZHCZSA-N 1 2 375.488 2.650 40 0 GFABLO CC(=O)N1CCC[C@@H]2N(C(=O)C[N@H+](C)Cc3ccccc3F)CCC[C@@]21C ZINC000257259382 206167785 /nfs/dbraw/zinc/16/77/85/206167785.db2.gz KYDFSPSXEQUNMU-FPOVZHCZSA-N 1 2 375.488 2.650 40 0 GFABLO CN(C(=O)CCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257336976 206181136 /nfs/dbraw/zinc/18/11/36/206181136.db2.gz YQWIDXFEGLVVBC-GPMSIDNRSA-N 1 2 387.871 2.568 40 0 GFABLO CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257336976 206181139 /nfs/dbraw/zinc/18/11/39/206181139.db2.gz YQWIDXFEGLVVBC-GPMSIDNRSA-N 1 2 387.871 2.568 40 0 GFABLO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)cn1 ZINC000306135685 206203947 /nfs/dbraw/zinc/20/39/47/206203947.db2.gz OXVGPEIAVGLFOT-APWZRJJASA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)cn1 ZINC000306135685 206203950 /nfs/dbraw/zinc/20/39/50/206203950.db2.gz OXVGPEIAVGLFOT-APWZRJJASA-N 1 2 385.514 2.904 40 0 GFABLO OCCNc1nc(NCc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328988451 563470055 /nfs/dbraw/zinc/47/00/55/563470055.db2.gz IGXXYIYIRJPSIY-UHFFFAOYSA-N 1 2 399.292 2.766 40 0 GFABLO COc1ccccc1-n1c(=O)c2ccccc2nc1SCC[NH+]1CCOCC1 ZINC000019941135 570232770 /nfs/dbraw/zinc/23/27/70/570232770.db2.gz VARKMJDQYRAUNE-UHFFFAOYSA-N 1 2 397.500 2.819 40 0 GFABLO O=C(NCCCN1CCc2ccccc21)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110622559 570324505 /nfs/dbraw/zinc/32/45/05/570324505.db2.gz IKOJGGWXCPCEPD-UHFFFAOYSA-N 1 2 379.504 2.701 40 0 GFABLO CCCCN(CCO)c1nc(N(C)C)[nH+]c2c1CCN(Cc1ccccc1)C2 ZINC000057731556 570371830 /nfs/dbraw/zinc/37/18/30/570371830.db2.gz CAFDNJAVCLZHKI-UHFFFAOYSA-N 1 2 383.540 2.700 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1c(OC)cccc1OC)C[N@@H+](C)CC2 ZINC000004223499 570726916 /nfs/dbraw/zinc/72/69/16/570726916.db2.gz VFONCEFEOHRTRK-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1c(OC)cccc1OC)C[N@H+](C)CC2 ZINC000004223499 570726919 /nfs/dbraw/zinc/72/69/19/570726919.db2.gz VFONCEFEOHRTRK-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(C)n1 ZINC000261365289 570788527 /nfs/dbraw/zinc/78/85/27/570788527.db2.gz RDQAVFWBFRNBJN-IBGZPJMESA-O 1 2 394.480 2.866 40 0 GFABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2cccnc2C)on1 ZINC000019124053 570957972 /nfs/dbraw/zinc/95/79/72/570957972.db2.gz GDENUPHRXJOCEN-UHFFFAOYSA-N 1 2 380.452 2.555 40 0 GFABLO Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706441 571032343 /nfs/dbraw/zinc/03/23/43/571032343.db2.gz UTWHTMNJPAFSNW-SFHVURJKSA-N 1 2 397.523 2.515 40 0 GFABLO Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706441 571032346 /nfs/dbraw/zinc/03/23/46/571032346.db2.gz UTWHTMNJPAFSNW-SFHVURJKSA-N 1 2 397.523 2.515 40 0 GFABLO Cc1ccccc1OCCC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706445 571032460 /nfs/dbraw/zinc/03/24/60/571032460.db2.gz PQKCONKUZLRKII-SFHVURJKSA-N 1 2 397.523 2.597 40 0 GFABLO Cc1ccccc1OCCC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706445 571032462 /nfs/dbraw/zinc/03/24/62/571032462.db2.gz PQKCONKUZLRKII-SFHVURJKSA-N 1 2 397.523 2.597 40 0 GFABLO Cc1nc(C)c(S(=O)(=O)N[C@H](CC[NH+]2CCOCC2)c2ccccc2)s1 ZINC000019715985 571037704 /nfs/dbraw/zinc/03/77/04/571037704.db2.gz DKIIMAVBLHJKBU-QGZVFWFLSA-N 1 2 395.550 2.502 40 0 GFABLO Fc1ccc(-c2cc3nc4c(c(NCC[NH+]5CCOCC5)n3n2)CCC4)cc1 ZINC000035314343 204167579 /nfs/dbraw/zinc/16/75/79/204167579.db2.gz LEHGVHWLIXSGBQ-UHFFFAOYSA-N 1 2 381.455 2.768 40 0 GFABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000012114538 204371984 /nfs/dbraw/zinc/37/19/84/204371984.db2.gz KPIBKWKALFUNHL-UHFFFAOYSA-N 1 2 394.519 2.994 40 0 GFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCc2ccc(O)cc2)CC1 ZINC000012116361 204372799 /nfs/dbraw/zinc/37/27/99/204372799.db2.gz GLGSFZKRCOUEHM-UHFFFAOYSA-N 1 2 378.476 2.854 40 0 GFABLO COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588944 204664762 /nfs/dbraw/zinc/66/47/62/204664762.db2.gz QQRRKQKQFMZHDD-IBGZPJMESA-N 1 2 396.491 2.849 40 0 GFABLO COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588944 204664766 /nfs/dbraw/zinc/66/47/66/204664766.db2.gz QQRRKQKQFMZHDD-IBGZPJMESA-N 1 2 396.491 2.849 40 0 GFABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Nc2nc(C)c(C)c(=O)[nH]2)CC1 ZINC000072341823 205328609 /nfs/dbraw/zinc/32/86/09/205328609.db2.gz UDDZMJYFEUIDFJ-UHFFFAOYSA-N 1 2 383.496 2.519 40 0 GFABLO CCc1nc(=O)c2ccccc2n1C1=CC[N@H+](Cc2cnc(N(C)C)nc2)CC1 ZINC000072348321 205331393 /nfs/dbraw/zinc/33/13/93/205331393.db2.gz CDRNBWQXWGPOJW-UHFFFAOYSA-N 1 2 390.491 2.562 40 0 GFABLO CCc1nc(=O)c2ccccc2n1C1=CC[N@@H+](Cc2cnc(N(C)C)nc2)CC1 ZINC000072348321 205331397 /nfs/dbraw/zinc/33/13/97/205331397.db2.gz CDRNBWQXWGPOJW-UHFFFAOYSA-N 1 2 390.491 2.562 40 0 GFABLO O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355415 205332998 /nfs/dbraw/zinc/33/29/98/205332998.db2.gz YPMXNCXMLWRYJH-HNNXBMFYSA-N 1 2 381.411 2.586 40 0 GFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257310312 206175900 /nfs/dbraw/zinc/17/59/00/206175900.db2.gz UEPBQTVWJHSDTM-OAQYLSRUSA-N 1 2 399.470 2.786 40 0 GFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257310312 206175904 /nfs/dbraw/zinc/17/59/04/206175904.db2.gz UEPBQTVWJHSDTM-OAQYLSRUSA-N 1 2 399.470 2.786 40 0 GFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257231861 206162633 /nfs/dbraw/zinc/16/26/33/206162633.db2.gz GILGIGGPIDDBCF-FQEVSTJZSA-N 1 2 378.480 2.517 40 0 GFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257231861 206162639 /nfs/dbraw/zinc/16/26/39/206162639.db2.gz GILGIGGPIDDBCF-FQEVSTJZSA-N 1 2 378.480 2.517 40 0 GFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257254327 206168630 /nfs/dbraw/zinc/16/86/30/206168630.db2.gz KCPMPMKHOZZTAM-IBGZPJMESA-N 1 2 392.463 2.901 40 0 GFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257254327 206168631 /nfs/dbraw/zinc/16/86/31/206168631.db2.gz KCPMPMKHOZZTAM-IBGZPJMESA-N 1 2 392.463 2.901 40 0 GFABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)nc1-c1ccccc1 ZINC000257267575 206169839 /nfs/dbraw/zinc/16/98/39/206169839.db2.gz MHXJDCGNAXZMOV-JXFKEZNVSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)nc1-c1ccccc1 ZINC000257267575 206169843 /nfs/dbraw/zinc/16/98/43/206169843.db2.gz MHXJDCGNAXZMOV-JXFKEZNVSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1noc(C)c1-c1ccc2ccn(CC(=O)NCCNc3cccc[nH+]3)c2n1 ZINC000257272350 206170242 /nfs/dbraw/zinc/17/02/42/206170242.db2.gz NCCBXLNODRWXBF-UHFFFAOYSA-N 1 2 390.447 2.931 40 0 GFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 ZINC000257312560 206178177 /nfs/dbraw/zinc/17/81/77/206178177.db2.gz UONDRHOGQQEIEB-UGKGYDQZSA-N 1 2 379.460 2.616 40 0 GFABLO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccccc5F)CC4)nccn23)cn1 ZINC000306137708 206204852 /nfs/dbraw/zinc/20/48/52/206204852.db2.gz RDQSINZHJKPDKE-UHFFFAOYSA-N 1 2 391.454 2.591 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306141168 206207893 /nfs/dbraw/zinc/20/78/93/206207893.db2.gz VMZDFMXSEUMCGU-AZUAARDMSA-N 1 2 383.473 2.918 40 0 GFABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306141168 206207897 /nfs/dbraw/zinc/20/78/97/206207897.db2.gz VMZDFMXSEUMCGU-AZUAARDMSA-N 1 2 383.473 2.918 40 0 GFABLO CC(C)(C)C(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253403081 560040412 /nfs/dbraw/zinc/04/04/12/560040412.db2.gz PHPVYGOIQPPOKS-SFHVURJKSA-N 1 2 386.540 2.549 40 0 biogenic,in-vitro GFABLO CC(C)(C)C(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253403081 560040414 /nfs/dbraw/zinc/04/04/14/560040414.db2.gz PHPVYGOIQPPOKS-SFHVURJKSA-N 1 2 386.540 2.549 40 0 biogenic,in-vitro GFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1C(=O)CC(C)(C)C ZINC000015676423 560094685 /nfs/dbraw/zinc/09/46/85/560094685.db2.gz DKUBCTKIXZEUGL-SFHVURJKSA-N 1 2 399.491 2.803 40 0 biogenic,in-vitro GFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccsc1)CCC2 ZINC000096251238 570224518 /nfs/dbraw/zinc/22/45/18/570224518.db2.gz ONLLFNYVBFSFCG-UWJYYQICSA-N 1 2 398.532 2.590 40 0 GFABLO O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[NH2+]Cc1ccccc1 ZINC000022592403 570322534 /nfs/dbraw/zinc/32/25/34/570322534.db2.gz YAELKNUBNSQHAA-KRWDZBQOSA-N 1 2 375.856 2.501 40 0 GFABLO CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223128663 570445211 /nfs/dbraw/zinc/44/52/11/570445211.db2.gz WTBSVULHMNFJOQ-VQTJNVASSA-N 1 2 399.564 2.769 40 0 GFABLO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000008739425 570681784 /nfs/dbraw/zinc/68/17/84/570681784.db2.gz SQAJLAVFEKAKKH-OKYOBFRVSA-N 1 2 392.386 2.514 40 0 GFABLO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000008739425 570681786 /nfs/dbraw/zinc/68/17/86/570681786.db2.gz SQAJLAVFEKAKKH-OKYOBFRVSA-N 1 2 392.386 2.514 40 0 GFABLO COc1ccccc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364499 570788737 /nfs/dbraw/zinc/78/87/37/570788737.db2.gz LSZHCFFRIDCCEL-IBGZPJMESA-O 1 2 395.464 2.781 40 0 GFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000019349502 570978621 /nfs/dbraw/zinc/97/86/21/570978621.db2.gz QFYVWJITVQTCLF-UHFFFAOYSA-N 1 2 387.399 2.921 40 0 GFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc(Cn4cccn4)o3)[C@@H](C)C2)c1 ZINC000019575624 571011758 /nfs/dbraw/zinc/01/17/58/571011758.db2.gz KWJUISVOZRWAQA-KRWDZBQOSA-N 1 2 394.475 2.880 40 0 GFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccc(Cn4cccn4)o3)[C@@H](C)C2)c1 ZINC000019575624 571011764 /nfs/dbraw/zinc/01/17/64/571011764.db2.gz KWJUISVOZRWAQA-KRWDZBQOSA-N 1 2 394.475 2.880 40 0 GFABLO Cc1nn2c(nc3c(c2NCC[NH+]2CCOCC2)CCC3)c1-c1cccs1 ZINC000019582118 571013396 /nfs/dbraw/zinc/01/33/96/571013396.db2.gz OZWXHQLMTNCESV-UHFFFAOYSA-N 1 2 383.521 2.999 40 0 GFABLO CCn1c2ccccc2nc1N1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000035291813 204155538 /nfs/dbraw/zinc/15/55/38/204155538.db2.gz PTBDVOYBMXYOTN-UHFFFAOYSA-N 1 2 395.482 2.634 40 0 GFABLO O=C(COc1ccc(C[N@@H+]2CCN(C3CCCCC3)C(=O)C2)cc1)N1CCCC1 ZINC000012188351 204380075 /nfs/dbraw/zinc/38/00/75/204380075.db2.gz USSKXBSZMNMNKI-UHFFFAOYSA-N 1 2 399.535 2.665 40 0 GFABLO O=C(COc1ccc(C[N@H+]2CCN(C3CCCCC3)C(=O)C2)cc1)N1CCCC1 ZINC000012188351 204380079 /nfs/dbraw/zinc/38/00/79/204380079.db2.gz USSKXBSZMNMNKI-UHFFFAOYSA-N 1 2 399.535 2.665 40 0 GFABLO O=c1[nH]c2cc3c(cc2cc1CNc1ccc([NH+]2CCC(O)CC2)cc1)OCO3 ZINC000019335598 204638484 /nfs/dbraw/zinc/63/84/84/204638484.db2.gz CYOICLVHVLALNL-UHFFFAOYSA-N 1 2 393.443 2.830 40 0 GFABLO CC(C)(C)c1ncc(C(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cn1 ZINC000036741167 205021564 /nfs/dbraw/zinc/02/15/64/205021564.db2.gz ZORFSMOOSBFPRL-KRWDZBQOSA-N 1 2 380.492 2.850 40 0 GFABLO CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3c2cc(Br)cc3C)[N@@H+]2CCC[C@H]12 ZINC000055243866 205146142 /nfs/dbraw/zinc/14/61/42/205146142.db2.gz BBMYCHCIBYQNEH-WRSAYESZSA-N 1 2 393.281 2.952 40 0 GFABLO CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3c2cc(Br)cc3C)[N@H+]2CCC[C@H]12 ZINC000055243866 205146146 /nfs/dbraw/zinc/14/61/46/205146146.db2.gz BBMYCHCIBYQNEH-WRSAYESZSA-N 1 2 393.281 2.952 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc[nH+]1 ZINC000072360796 205334434 /nfs/dbraw/zinc/33/44/34/205334434.db2.gz IHNFPHMRQORNSH-OAHLLOKOSA-N 1 2 383.477 2.622 40 0 GFABLO O=S(=O)(c1cccs1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221315 205542404 /nfs/dbraw/zinc/54/24/04/205542404.db2.gz QNFNBSUFKCSRQZ-CQSZACIVSA-N 1 2 379.507 2.567 40 0 GFABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000225220813 206042731 /nfs/dbraw/zinc/04/27/31/206042731.db2.gz JXGZNQFULRJZQJ-UHFFFAOYSA-N 1 2 385.489 2.693 40 0 GFABLO Cc1cncc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257287363 206173824 /nfs/dbraw/zinc/17/38/24/206173824.db2.gz PPPJSAQYZLHZFS-FQEVSTJZSA-N 1 2 389.883 2.569 40 0 GFABLO Cc1cncc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257287363 206173827 /nfs/dbraw/zinc/17/38/27/206173827.db2.gz PPPJSAQYZLHZFS-FQEVSTJZSA-N 1 2 389.883 2.569 40 0 GFABLO Cc1noc(C)c1-c1cc(C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)ncn1 ZINC000257226825 206163011 /nfs/dbraw/zinc/16/30/11/206163011.db2.gz FMIXUQJHTCVJFT-KRWDZBQOSA-N 1 2 394.479 2.816 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4cccs4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140562 206204551 /nfs/dbraw/zinc/20/45/51/206204551.db2.gz UXKZOKZJIXLHGU-HKUYNNGSSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4cccs4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140562 206204554 /nfs/dbraw/zinc/20/45/54/206204554.db2.gz UXKZOKZJIXLHGU-HKUYNNGSSA-N 1 2 385.514 2.904 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000306140531 206205435 /nfs/dbraw/zinc/20/54/35/206205435.db2.gz UWKTXPYVGNVQJC-UHFFFAOYSA-N 1 2 391.475 2.544 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 ZINC000306140531 206205438 /nfs/dbraw/zinc/20/54/38/206205438.db2.gz UWKTXPYVGNVQJC-UHFFFAOYSA-N 1 2 391.475 2.544 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124929 206197163 /nfs/dbraw/zinc/19/71/63/206197163.db2.gz CCNFSACTTOBDFD-IEBWSBKVSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124929 206197167 /nfs/dbraw/zinc/19/71/67/206197167.db2.gz CCNFSACTTOBDFD-IEBWSBKVSA-N 1 2 385.514 2.904 40 0 GFABLO CCn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cn1 ZINC000306129135 206198836 /nfs/dbraw/zinc/19/88/36/206198836.db2.gz HVNLOMVIKGVFGF-CTNGQTDRSA-N 1 2 394.500 2.720 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cn1 ZINC000306129135 206198838 /nfs/dbraw/zinc/19/88/38/206198838.db2.gz HVNLOMVIKGVFGF-CTNGQTDRSA-N 1 2 394.500 2.720 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131474 206200380 /nfs/dbraw/zinc/20/03/80/206200380.db2.gz KFRZZVZGJFVCEY-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131474 206200383 /nfs/dbraw/zinc/20/03/83/206200383.db2.gz KFRZZVZGJFVCEY-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019529718 221423455 /nfs/dbraw/zinc/42/34/55/221423455.db2.gz MOQSAHOVJOVCIP-YWNPBTLJSA-N 1 2 392.455 2.767 40 0 GFABLO CCOc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)ccc1O ZINC000072347338 136169066 /nfs/dbraw/zinc/16/90/66/136169066.db2.gz BVYFFHNXDMGQID-HNNXBMFYSA-N 1 2 398.507 2.669 40 0 GFABLO CCOc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)ccc1O ZINC000072347338 136169067 /nfs/dbraw/zinc/16/90/67/136169067.db2.gz BVYFFHNXDMGQID-HNNXBMFYSA-N 1 2 398.507 2.669 40 0 GFABLO O=C(C[N@@H+]1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 ZINC000019767289 526750440 /nfs/dbraw/zinc/75/04/40/526750440.db2.gz AEADSZSQHJQQKC-MRXNPFEDSA-N 1 2 399.520 2.592 40 0 GFABLO O=C(C[N@H+]1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 ZINC000019767289 526750451 /nfs/dbraw/zinc/75/04/51/526750451.db2.gz AEADSZSQHJQQKC-MRXNPFEDSA-N 1 2 399.520 2.592 40 0 GFABLO OCCCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329069730 563472432 /nfs/dbraw/zinc/47/24/32/563472432.db2.gz ZALHCPLCGBSZLR-UHFFFAOYSA-N 1 2 381.249 2.637 40 0 GFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)CC(C)(C)C)CCC2 ZINC000096251280 570224504 /nfs/dbraw/zinc/22/45/04/570224504.db2.gz KVRUAXFYGMIWCX-JTSKRJEESA-N 1 2 386.540 2.651 40 0 GFABLO Cc1cnc(N2CCc3cc(C(=O)NC(C)C)c(NCC4CC4)[nH+]c3CC2)nc1 ZINC000096260595 570225771 /nfs/dbraw/zinc/22/57/71/570225771.db2.gz NMNXLXRSZKRWPF-UHFFFAOYSA-N 1 2 394.523 2.745 40 0 GFABLO Cc1cnc(N2CCc3cc(C(=O)NCC4CC4)c(NC(C)C)[nH+]c3CC2)nc1 ZINC000096260462 570225848 /nfs/dbraw/zinc/22/58/48/570225848.db2.gz MRMLZAFWNYFIRM-UHFFFAOYSA-N 1 2 394.523 2.745 40 0 GFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCCC1 ZINC000000911295 570229593 /nfs/dbraw/zinc/22/95/93/570229593.db2.gz BDOKRPCNFBOYRR-GOSISDBHSA-N 1 2 396.495 2.854 40 0 GFABLO O=C(/C=C/C[NH+]1CCOCC1)N1CCC2(CC1)C[C@H](c1ccccc1)CCO2 ZINC000585290357 570258250 /nfs/dbraw/zinc/25/82/50/570258250.db2.gz BWCFJJGJCCLDOK-HXRGIAOBSA-N 1 2 384.520 2.830 40 0 GFABLO Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c1 ZINC000020799941 570280975 /nfs/dbraw/zinc/28/09/75/570280975.db2.gz BCPXVLJVUNWEFR-HNNXBMFYSA-N 1 2 394.479 2.730 40 0 GFABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670321 570367944 /nfs/dbraw/zinc/36/79/44/570367944.db2.gz IHMHLQQTDROYTA-MOPGFXCFSA-N 1 2 388.491 2.655 40 0 GFABLO Cc1ccc(Cn2ccsc2=NC(=O)CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000102912265 570383722 /nfs/dbraw/zinc/38/37/22/570383722.db2.gz HBRNQUPMQAAGTE-PYCFMQQDSA-N 1 2 385.518 2.807 40 0 GFABLO CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019498745 570991202 /nfs/dbraw/zinc/99/12/02/570991202.db2.gz OSRGAFXFLDWZES-OAHLLOKOSA-N 1 2 397.523 2.852 40 0 GFABLO CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019498745 570991204 /nfs/dbraw/zinc/99/12/04/570991204.db2.gz OSRGAFXFLDWZES-OAHLLOKOSA-N 1 2 397.523 2.852 40 0 GFABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1 ZINC000019703622 571031364 /nfs/dbraw/zinc/03/13/64/571031364.db2.gz FOVXLFCKGAAPGR-GOSISDBHSA-N 1 2 376.888 2.910 40 0 GFABLO CN(C)C(=O)C[N@H+]1CCC[C@@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1 ZINC000019703622 571031366 /nfs/dbraw/zinc/03/13/66/571031366.db2.gz FOVXLFCKGAAPGR-GOSISDBHSA-N 1 2 376.888 2.910 40 0 GFABLO Cc1ccccc1OCCC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706444 571032504 /nfs/dbraw/zinc/03/25/04/571032504.db2.gz PQKCONKUZLRKII-GOSISDBHSA-N 1 2 397.523 2.597 40 0 GFABLO Cc1ccccc1OCCC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706444 571032506 /nfs/dbraw/zinc/03/25/06/571032506.db2.gz PQKCONKUZLRKII-GOSISDBHSA-N 1 2 397.523 2.597 40 0 GFABLO Cc1nc(C)c(S(=O)(=O)N[C@@H](CC[NH+]2CCOCC2)c2ccccc2)s1 ZINC000019715984 571037936 /nfs/dbraw/zinc/03/79/36/571037936.db2.gz DKIIMAVBLHJKBU-KRWDZBQOSA-N 1 2 395.550 2.502 40 0 GFABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cn1 ZINC000035425436 204200672 /nfs/dbraw/zinc/20/06/72/204200672.db2.gz NTKNMNAPRWMPSP-KRWDZBQOSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cn1 ZINC000035425436 204200675 /nfs/dbraw/zinc/20/06/75/204200675.db2.gz NTKNMNAPRWMPSP-KRWDZBQOSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO Cc1ccc2[nH]nc(C(=O)Nc3cccc(OCC[NH+]4CCOCC4)c3)c2c1 ZINC000072392136 205342645 /nfs/dbraw/zinc/34/26/45/205342645.db2.gz VULUUINCCQKXDG-UHFFFAOYSA-N 1 2 380.448 2.835 40 0 GFABLO CSc1nc(NCCOC(=O)c2snnc2-c2cccnc2)cc(C)[nH+]1 ZINC000223852980 206007838 /nfs/dbraw/zinc/00/78/38/206007838.db2.gz KDCFHKAACGZAFM-UHFFFAOYSA-N 1 2 388.478 2.689 40 0 GFABLO COc1cccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000225037447 206034017 /nfs/dbraw/zinc/03/40/17/206034017.db2.gz DWHKTAPNRRIVMP-UHFFFAOYSA-N 1 2 389.415 2.920 40 0 GFABLO COc1cc(C[NH+]2CCN(C(=S)NC3CCCC3)CC2)cc(OC)c1OC ZINC000225224328 206042699 /nfs/dbraw/zinc/04/26/99/206042699.db2.gz JGIQSGPOBBXAHZ-UHFFFAOYSA-N 1 2 393.553 2.647 40 0 GFABLO c1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)cc2c1OCO2 ZINC000248338838 206138410 /nfs/dbraw/zinc/13/84/10/206138410.db2.gz RZSAOZHTMUYTBY-SFHVURJKSA-N 1 2 375.465 2.592 40 0 GFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 ZINC000257219111 206160719 /nfs/dbraw/zinc/16/07/19/206160719.db2.gz DFPMSQAPMWWISW-VQIMIIECSA-N 1 2 391.468 2.768 40 0 GFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@]12CCCO2 ZINC000257219111 206160725 /nfs/dbraw/zinc/16/07/25/206160725.db2.gz DFPMSQAPMWWISW-VQIMIIECSA-N 1 2 391.468 2.768 40 0 GFABLO CNC(=O)c1sc2nc(C3(C)CCN(c4cc(C)[nH+]cn4)CC3)ccc2c1N ZINC000257287255 206172959 /nfs/dbraw/zinc/17/29/59/206172959.db2.gz PPDWKRMZRVBFQA-UHFFFAOYSA-N 1 2 396.520 2.895 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)n1C ZINC000257257945 206168320 /nfs/dbraw/zinc/16/83/20/206168320.db2.gz KRSSASAYYBOETB-SFHVURJKSA-N 1 2 390.491 2.604 40 0 GFABLO Cn1ccc(C(=O)N2Cc3ccccc3[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000306125777 206196273 /nfs/dbraw/zinc/19/62/73/206196273.db2.gz DBXVIDCTTZYBGT-HXUWFJFHSA-N 1 2 398.470 2.848 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2S3(=O)=O)cn1 ZINC000306127201 206199152 /nfs/dbraw/zinc/19/91/52/206199152.db2.gz FRLDURIMZUNAAW-TZIWHRDSSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2S3(=O)=O)cn1 ZINC000306127201 206199154 /nfs/dbraw/zinc/19/91/54/206199154.db2.gz FRLDURIMZUNAAW-TZIWHRDSSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135688 206203644 /nfs/dbraw/zinc/20/36/44/206203644.db2.gz OXVGPEIAVGLFOT-VQIMIIECSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@H+]2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135688 206203649 /nfs/dbraw/zinc/20/36/49/206203649.db2.gz OXVGPEIAVGLFOT-VQIMIIECSA-N 1 2 385.514 2.904 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118408 221153348 /nfs/dbraw/zinc/15/33/48/221153348.db2.gz QASCWBIGXCXKGQ-AWEZNQCLSA-N 1 2 382.424 2.555 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118408 221153350 /nfs/dbraw/zinc/15/33/50/221153350.db2.gz QASCWBIGXCXKGQ-AWEZNQCLSA-N 1 2 382.424 2.555 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118379 221153709 /nfs/dbraw/zinc/15/37/09/221153709.db2.gz AGHXWOMRBSPUMU-OAHLLOKOSA-N 1 2 397.504 2.997 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118379 221153711 /nfs/dbraw/zinc/15/37/11/221153711.db2.gz AGHXWOMRBSPUMU-OAHLLOKOSA-N 1 2 397.504 2.997 40 0 GFABLO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCCCn1cc[nH+]c1 ZINC000408703989 534344359 /nfs/dbraw/zinc/34/43/59/534344359.db2.gz HXJUJIBRGLRXDG-UHFFFAOYSA-N 1 2 398.488 2.532 40 0 GFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674976 560095043 /nfs/dbraw/zinc/09/50/43/560095043.db2.gz YYKRNBZIUWVQOJ-CVEARBPZSA-N 1 2 383.379 2.912 40 0 biogenic,in-vitro GFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674976 560095045 /nfs/dbraw/zinc/09/50/45/560095045.db2.gz YYKRNBZIUWVQOJ-CVEARBPZSA-N 1 2 383.379 2.912 40 0 biogenic,in-vitro GFABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4cccnc4)no3)[N@H+](C)C2)cc1 ZINC000012529878 560212951 /nfs/dbraw/zinc/21/29/51/560212951.db2.gz KTZRIEFABQVFJG-RDJZCZTQSA-N 1 2 394.435 2.707 40 0 biogenic,in-vitro GFABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4cccnc4)no3)[N@@H+](C)C2)cc1 ZINC000012529878 560212953 /nfs/dbraw/zinc/21/29/53/560212953.db2.gz KTZRIEFABQVFJG-RDJZCZTQSA-N 1 2 394.435 2.707 40 0 biogenic,in-vitro GFABLO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 ZINC000096225717 570220537 /nfs/dbraw/zinc/22/05/37/570220537.db2.gz GZOAZYFVOXEUOU-IVZQSRNASA-N 1 2 396.491 2.932 40 0 GFABLO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 ZINC000096225717 570220539 /nfs/dbraw/zinc/22/05/39/570220539.db2.gz GZOAZYFVOXEUOU-IVZQSRNASA-N 1 2 396.491 2.932 40 0 GFABLO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C)o1 ZINC000096230227 570221343 /nfs/dbraw/zinc/22/13/43/570221343.db2.gz AHDFNIAEQIWABO-UHFFFAOYSA-N 1 2 381.476 2.503 40 0 GFABLO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C)o1 ZINC000096230227 570221347 /nfs/dbraw/zinc/22/13/47/570221347.db2.gz AHDFNIAEQIWABO-UHFFFAOYSA-N 1 2 381.476 2.503 40 0 GFABLO Cc1nc2cc([C@@H]3CC[N@@H+](C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1 ZINC000100685944 570274681 /nfs/dbraw/zinc/27/46/81/570274681.db2.gz MWXYOWIDUHUCGZ-QGZVFWFLSA-N 1 2 399.539 2.886 40 0 GFABLO Cc1nc2cc([C@@H]3CC[N@H+](C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1 ZINC000100685944 570274683 /nfs/dbraw/zinc/27/46/83/570274683.db2.gz MWXYOWIDUHUCGZ-QGZVFWFLSA-N 1 2 399.539 2.886 40 0 GFABLO CCC[NH+]1CCN(C(=O)CSc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000020765400 570282916 /nfs/dbraw/zinc/28/29/16/570282916.db2.gz ZKTLEWWVGLHDQY-UHFFFAOYSA-N 1 2 397.342 2.972 40 0 GFABLO CCc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000102332041 570288431 /nfs/dbraw/zinc/28/84/31/570288431.db2.gz WMPAGLFSHYGSPS-LJQANCHMSA-N 1 2 394.471 2.956 40 0 GFABLO CCc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000102332041 570288432 /nfs/dbraw/zinc/28/84/32/570288432.db2.gz WMPAGLFSHYGSPS-LJQANCHMSA-N 1 2 394.471 2.956 40 0 GFABLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670043 570367396 /nfs/dbraw/zinc/36/73/96/570367396.db2.gz RUQUOMZBQAQEBU-SFHVURJKSA-N 1 2 392.935 2.801 40 0 GFABLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000057731187 570371730 /nfs/dbraw/zinc/37/17/30/570371730.db2.gz CFUBRAONLUWDQV-IFXJQAMLSA-N 1 2 387.480 2.598 40 0 GFABLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000057731187 570371732 /nfs/dbraw/zinc/37/17/32/570371732.db2.gz CFUBRAONLUWDQV-IFXJQAMLSA-N 1 2 387.480 2.598 40 0 GFABLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000026538715 570471094 /nfs/dbraw/zinc/47/10/94/570471094.db2.gz FETKARGJSYVNHI-QGZVFWFLSA-N 1 2 382.460 2.835 40 0 GFABLO C[C@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019367099 570596106 /nfs/dbraw/zinc/59/61/06/570596106.db2.gz MFDVLMOVSSULIJ-SMIHKQSGSA-N 1 2 396.531 2.668 40 0 GFABLO O=C(C[NH+]1CCC(O)(c2ccccc2F)CC1)NCCc1c[nH]c2ccccc12 ZINC000004383572 570626567 /nfs/dbraw/zinc/62/65/67/570626567.db2.gz CEUMJONYKSBCDZ-UHFFFAOYSA-N 1 2 395.478 2.949 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000014004902 570814481 /nfs/dbraw/zinc/81/44/81/570814481.db2.gz MMEMCLXSBRXXRX-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000027228758 570880784 /nfs/dbraw/zinc/88/07/84/570880784.db2.gz IRQWXYVDVWWVGM-FQEVSTJZSA-N 1 2 398.503 2.850 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000014607416 570893025 /nfs/dbraw/zinc/89/30/25/570893025.db2.gz KIEPQVIROGFTKR-IAQYHMDHSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000014607416 570893027 /nfs/dbraw/zinc/89/30/27/570893027.db2.gz KIEPQVIROGFTKR-IAQYHMDHSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000017946113 570922097 /nfs/dbraw/zinc/92/20/97/570922097.db2.gz ZTYSDMJKELDHFB-IBGZPJMESA-N 1 2 380.444 2.747 40 0 GFABLO Cc1cc(C)nc(NC2=[NH+]CN(Cc3cccnc3)CN2Cc2cccnc2)n1 ZINC000019328625 570925198 /nfs/dbraw/zinc/92/51/98/570925198.db2.gz PMNYKGYEDVNATE-UHFFFAOYSA-N 1 2 388.479 2.584 40 0 GFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019529724 570928705 /nfs/dbraw/zinc/92/87/05/570928705.db2.gz MOQSAHOVJOVCIP-RTXPOLOASA-N 1 2 392.455 2.767 40 0 GFABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000019500399 570992680 /nfs/dbraw/zinc/99/26/80/570992680.db2.gz ZDECVRHBCDVPOX-AWEZNQCLSA-N 1 2 377.485 2.719 40 0 GFABLO CCc1oc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019521497 570994420 /nfs/dbraw/zinc/99/44/20/570994420.db2.gz QTRHZGFIIGSDOE-HXUWFJFHSA-N 1 2 397.519 2.803 40 0 GFABLO CCc1oc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019521497 570994424 /nfs/dbraw/zinc/99/44/24/570994424.db2.gz QTRHZGFIIGSDOE-HXUWFJFHSA-N 1 2 397.519 2.803 40 0 GFABLO Cc1c(-c2cc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)on2)cnn1C ZINC000019554202 571002553 /nfs/dbraw/zinc/00/25/53/571002553.db2.gz OROAYAGGKNXIAN-SFHVURJKSA-N 1 2 394.410 2.776 40 0 GFABLO CCn1nc([C@H](C)C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2ccccc2c1=O ZINC000019660568 571025393 /nfs/dbraw/zinc/02/53/93/571025393.db2.gz HSNMZXVWSZNNBG-LBPRGKRZSA-N 1 2 397.504 2.603 40 0 GFABLO CCn1nc([C@H](C)C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2ccccc2c1=O ZINC000019660568 571025396 /nfs/dbraw/zinc/02/53/96/571025396.db2.gz HSNMZXVWSZNNBG-LBPRGKRZSA-N 1 2 397.504 2.603 40 0 GFABLO O=C(C[N@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1)N1CCCC1 ZINC000019703668 571031423 /nfs/dbraw/zinc/03/14/23/571031423.db2.gz JTQAYQCWUHAZKL-LJQANCHMSA-N 1 2 386.471 2.930 40 0 GFABLO O=C(C[N@@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1)N1CCCC1 ZINC000019703668 571031429 /nfs/dbraw/zinc/03/14/29/571031429.db2.gz JTQAYQCWUHAZKL-LJQANCHMSA-N 1 2 386.471 2.930 40 0 GFABLO COc1ccc(CN2CCn3cc(C[N@H+](C)Cc4cccnc4)nc3C2)cc1 ZINC000096059548 571098472 /nfs/dbraw/zinc/09/84/72/571098472.db2.gz PPQNHODTAIFQEA-UHFFFAOYSA-N 1 2 377.492 2.935 40 0 GFABLO COc1ccc(CN2CCn3cc(C[N@@H+](C)Cc4cccnc4)nc3C2)cc1 ZINC000096059548 571098474 /nfs/dbraw/zinc/09/84/74/571098474.db2.gz PPQNHODTAIFQEA-UHFFFAOYSA-N 1 2 377.492 2.935 40 0 GFABLO COc1cccc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000095533567 655029682 /nfs/dbraw/zinc/02/96/82/655029682.db2.gz DYAYSWPDAAWKAU-CQSZACIVSA-N 1 2 375.226 2.997 40 0 GFABLO COc1ccc(-c2cc3nc(C)c(C)c(NCC[NH+]4CCOCC4)n3n2)cc1 ZINC000035314752 204167162 /nfs/dbraw/zinc/16/71/62/204167162.db2.gz LQOPKWWPXYMMLU-UHFFFAOYSA-N 1 2 381.480 2.766 40 0 GFABLO COc1cc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc(OC)c1 ZINC000012182750 204378369 /nfs/dbraw/zinc/37/83/69/204378369.db2.gz HJJPIADWBKFCON-UHFFFAOYSA-N 1 2 398.507 2.582 40 0 GFABLO COc1cc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc(OC)c1 ZINC000012182750 204378373 /nfs/dbraw/zinc/37/83/73/204378373.db2.gz HJJPIADWBKFCON-UHFFFAOYSA-N 1 2 398.507 2.582 40 0 GFABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)N1CCOc2ccccc21 ZINC000012142807 204375388 /nfs/dbraw/zinc/37/53/88/204375388.db2.gz GOZBSMKXNRKAGP-UHFFFAOYSA-N 1 2 376.416 2.505 40 0 GFABLO Cc1nc2ccc(C)cn2c1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000071468787 205284612 /nfs/dbraw/zinc/28/46/12/205284612.db2.gz HYNRCRAJQUSAGF-UHFFFAOYSA-N 1 2 392.459 2.638 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)COc3ccccc3)C2)cc[nH+]1 ZINC000072356494 205331667 /nfs/dbraw/zinc/33/16/67/205331667.db2.gz UGIQNHGZIKNOOY-MRXNPFEDSA-N 1 2 377.448 2.839 40 0 GFABLO COCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OC ZINC000224401414 206020596 /nfs/dbraw/zinc/02/05/96/206020596.db2.gz KPMFUWXDJOINJU-UHFFFAOYSA-N 1 2 398.459 2.528 40 0 GFABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cn1 ZINC000096111816 206115356 /nfs/dbraw/zinc/11/53/56/206115356.db2.gz UTPRYTCLNHUXDW-HKUYNNGSSA-N 1 2 379.460 2.869 40 0 biogenic,in-vitro GFABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)cn1 ZINC000096111816 206115362 /nfs/dbraw/zinc/11/53/62/206115362.db2.gz UTPRYTCLNHUXDW-HKUYNNGSSA-N 1 2 379.460 2.869 40 0 biogenic,in-vitro GFABLO Cc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257285754 206173970 /nfs/dbraw/zinc/17/39/70/206173970.db2.gz PIQMRQVHGOQWFH-SFHLNBCPSA-N 1 2 381.480 2.544 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306141169 206207731 /nfs/dbraw/zinc/20/77/31/206207731.db2.gz VMZDFMXSEUMCGU-ICSRJNTNSA-N 1 2 383.473 2.918 40 0 GFABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306141169 206207734 /nfs/dbraw/zinc/20/77/34/206207734.db2.gz VMZDFMXSEUMCGU-ICSRJNTNSA-N 1 2 383.473 2.918 40 0 GFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)N3CCCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306122955 206195411 /nfs/dbraw/zinc/19/54/11/206195411.db2.gz AAMLPBLTZGLBNU-GCJKJVERSA-N 1 2 399.539 2.708 40 0 GFABLO C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000253403844 560040228 /nfs/dbraw/zinc/04/02/28/560040228.db2.gz QNHHZIMWFUTBSB-ZDUSSCGKSA-N 1 2 384.461 2.814 40 0 biogenic,in-vitro GFABLO COCCNC(=O)C[N@@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719776 570210853 /nfs/dbraw/zinc/21/08/53/570210853.db2.gz AZGKLZMKLVAUDT-UHFFFAOYSA-N 1 2 399.438 2.950 40 0 GFABLO COCCNC(=O)C[N@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719776 570210856 /nfs/dbraw/zinc/21/08/56/570210856.db2.gz AZGKLZMKLVAUDT-UHFFFAOYSA-N 1 2 399.438 2.950 40 0 GFABLO Cc1nc(Nc2ccccc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329049527 570215227 /nfs/dbraw/zinc/21/52/27/570215227.db2.gz UPHHTNUDADZFPE-UHFFFAOYSA-N 1 2 395.488 2.739 40 0 GFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 ZINC000019762897 570217181 /nfs/dbraw/zinc/21/71/81/570217181.db2.gz ZWJUNKSFUDOUEE-NRFANRHFSA-N 1 2 393.491 2.727 40 0 GFABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 ZINC000019762897 570217185 /nfs/dbraw/zinc/21/71/85/570217185.db2.gz ZWJUNKSFUDOUEE-NRFANRHFSA-N 1 2 393.491 2.727 40 0 GFABLO Cc1ccc(S(=O)(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1F ZINC000096259336 570225480 /nfs/dbraw/zinc/22/54/80/570225480.db2.gz KGONTRNYODVKHK-UHFFFAOYSA-N 1 2 392.500 2.521 40 0 GFABLO COc1ccc(OC[C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000019931763 570230962 /nfs/dbraw/zinc/23/09/62/570230962.db2.gz XTTBBGCRMWGMOA-QGZVFWFLSA-N 1 2 384.476 2.725 40 0 GFABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000020763714 570283045 /nfs/dbraw/zinc/28/30/45/570283045.db2.gz KWTGBZOJJCZFNJ-UHFFFAOYSA-N 1 2 379.917 2.771 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000102331991 570288428 /nfs/dbraw/zinc/28/84/28/570288428.db2.gz DMPCEGOONBUGJA-GOSISDBHSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000102331991 570288429 /nfs/dbraw/zinc/28/84/29/570288429.db2.gz DMPCEGOONBUGJA-GOSISDBHSA-N 1 2 380.444 2.702 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000013554517 570656181 /nfs/dbraw/zinc/65/61/81/570656181.db2.gz WRRUROFEEKQBIT-AKHDSKFASA-N 1 2 378.403 2.661 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000013554517 570656184 /nfs/dbraw/zinc/65/61/84/570656184.db2.gz WRRUROFEEKQBIT-AKHDSKFASA-N 1 2 378.403 2.661 40 0 GFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccnc1 ZINC000261364509 570788413 /nfs/dbraw/zinc/78/84/13/570788413.db2.gz LVYMUSUBJGYNBE-GOSISDBHSA-O 1 2 380.453 2.557 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 ZINC000014607412 570893065 /nfs/dbraw/zinc/89/30/65/570893065.db2.gz ONYCNNRYPLGFAB-CZUORRHYSA-N 1 2 378.856 2.555 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)C1 ZINC000014607412 570893066 /nfs/dbraw/zinc/89/30/66/570893066.db2.gz ONYCNNRYPLGFAB-CZUORRHYSA-N 1 2 378.856 2.555 40 0 GFABLO O=C(N[C@H]1c2[nH+]ccn2CCC12CCN(C(=O)c1ccsc1)CC2)C1CC1 ZINC000585091868 570921280 /nfs/dbraw/zinc/92/12/80/570921280.db2.gz NAAQYGURCZELGR-INIZCTEOSA-N 1 2 384.505 2.838 40 0 GFABLO COc1ccccc1N1C[C@H](NC(=O)[C@H](C)n2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286679 570970199 /nfs/dbraw/zinc/97/01/99/570970199.db2.gz LFIBFAABBNVWTF-GOEBONIOSA-N 1 2 392.459 2.836 40 0 GFABLO Cn1c(CNC(=O)C[NH+]2CCC(Oc3ccccc3F)CC2)nc2ccccc21 ZINC000019289959 570971479 /nfs/dbraw/zinc/97/14/79/570971479.db2.gz ODBOATCLZAKMDR-UHFFFAOYSA-N 1 2 396.466 2.872 40 0 GFABLO Cc1c(-c2cc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)on2)cnn1C ZINC000019554205 571002434 /nfs/dbraw/zinc/00/24/34/571002434.db2.gz OROAYAGGKNXIAN-GOSISDBHSA-N 1 2 394.410 2.776 40 0 GFABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CCCCC3)no1)CC2 ZINC000019706320 571032281 /nfs/dbraw/zinc/03/22/81/571032281.db2.gz MVHQUUMMJCXAPX-QGZVFWFLSA-N 1 2 398.511 2.779 40 0 GFABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)c1cc(C3CCCCC3)no1)CC2 ZINC000019706320 571032284 /nfs/dbraw/zinc/03/22/84/571032284.db2.gz MVHQUUMMJCXAPX-QGZVFWFLSA-N 1 2 398.511 2.779 40 0 GFABLO Cc1ccc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(C)s4)C(=O)CO3)C2)o1 ZINC000096051462 571097226 /nfs/dbraw/zinc/09/72/26/571097226.db2.gz OTYCLOQBBGWQPB-LJQANCHMSA-N 1 2 376.478 2.592 40 0 GFABLO Cc1ccc(C[N@H+]2CCOC[C@]3(CN(c4ccc(C)s4)C(=O)CO3)C2)o1 ZINC000096051462 571097230 /nfs/dbraw/zinc/09/72/30/571097230.db2.gz OTYCLOQBBGWQPB-LJQANCHMSA-N 1 2 376.478 2.592 40 0 GFABLO CC1=C(Sc2ccc(Br)cc2)[C@H]([NH3+])Nc2nc(N)nc(N)c21 ZINC000005501398 204136740 /nfs/dbraw/zinc/13/67/40/204136740.db2.gz XXFVLMLYGFYDIP-GFCCVEGCSA-N 1 2 379.287 2.637 40 0 GFABLO CC(C)(C)c1ncc(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)cn1 ZINC000036741173 205021941 /nfs/dbraw/zinc/02/19/41/205021941.db2.gz VVRPYPMQOOANCA-UHFFFAOYSA-N 1 2 386.471 2.750 40 0 GFABLO CN1CC[C@]2(C[C@@H](NC(=O)CCCn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000072327817 205326037 /nfs/dbraw/zinc/32/60/37/205326037.db2.gz FQIKMYFASMJHHR-GCJKJVERSA-N 1 2 396.491 2.684 40 0 GFABLO C[C@H](CC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000072327796 205326069 /nfs/dbraw/zinc/32/60/69/205326069.db2.gz KXGGTRQPRFAFOQ-CDMIOBSGSA-N 1 2 396.491 2.855 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000306130763 206200393 /nfs/dbraw/zinc/20/03/93/206200393.db2.gz JOUOESSZYOVJJW-FGZHOGPDSA-N 1 2 384.545 2.603 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000306130763 206200397 /nfs/dbraw/zinc/20/03/97/206200397.db2.gz JOUOESSZYOVJJW-FGZHOGPDSA-N 1 2 384.545 2.603 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306133494 206201035 /nfs/dbraw/zinc/20/10/35/206201035.db2.gz MNHBXLLTYBFMPY-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306133494 206201039 /nfs/dbraw/zinc/20/10/39/206201039.db2.gz MNHBXLLTYBFMPY-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)c(F)c2)C3)C[C@@H](C)O1 ZINC000072347273 136168849 /nfs/dbraw/zinc/16/88/49/136168849.db2.gz JSERPIVVJCDGFQ-CHWSQXEVSA-N 1 2 390.434 2.632 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)c(F)c2)C3)C[C@@H](C)O1 ZINC000072347273 136168848 /nfs/dbraw/zinc/16/88/48/136168848.db2.gz JSERPIVVJCDGFQ-CHWSQXEVSA-N 1 2 390.434 2.632 40 0 GFABLO COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CC[N@H+](C)C2 ZINC000408563219 533701135 /nfs/dbraw/zinc/70/11/35/533701135.db2.gz AEJRAIXKXKSHEH-UHFFFAOYSA-N 1 2 390.461 2.549 40 0 GFABLO COC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408563219 533701145 /nfs/dbraw/zinc/70/11/45/533701145.db2.gz AEJRAIXKXKSHEH-UHFFFAOYSA-N 1 2 390.461 2.549 40 0 GFABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OC)c2)cc1 ZINC000408704407 534059493 /nfs/dbraw/zinc/05/94/93/534059493.db2.gz MYQGTVTWBUAEIJ-LJQANCHMSA-N 1 2 391.431 2.876 40 0 GFABLO CC(C)NC(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C ZINC000253398795 560040470 /nfs/dbraw/zinc/04/04/70/560040470.db2.gz HNDRBFAWHFKJJD-KRWDZBQOSA-N 1 2 392.931 2.679 40 0 biogenic,in-vitro GFABLO CC(C)NC(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C ZINC000253398795 560040471 /nfs/dbraw/zinc/04/04/71/560040471.db2.gz HNDRBFAWHFKJJD-KRWDZBQOSA-N 1 2 392.931 2.679 40 0 biogenic,in-vitro GFABLO CC(=O)N1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000096088577 570210335 /nfs/dbraw/zinc/21/03/35/570210335.db2.gz PGHWXWOYMBGRDE-FDFHNCONSA-N 1 2 386.455 2.919 40 0 GFABLO CCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329019903 570212992 /nfs/dbraw/zinc/21/29/92/570212992.db2.gz NZDAESRCILTDJB-AWEZNQCLSA-N 1 2 382.386 2.909 40 0 GFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c(OC)c1 ZINC000329065463 570216041 /nfs/dbraw/zinc/21/60/41/570216041.db2.gz XRYIRICKIAWZDD-UHFFFAOYSA-N 1 2 380.448 2.543 40 0 GFABLO O=S(=O)(c1cccs1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221319 570219935 /nfs/dbraw/zinc/21/99/35/570219935.db2.gz QNFNBSUFKCSRQZ-AWEZNQCLSA-N 1 2 379.507 2.567 40 0 GFABLO CCc1ccc(S(=O)(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1 ZINC000096259140 570225429 /nfs/dbraw/zinc/22/54/29/570225429.db2.gz CTYBRBADVMUVLC-UHFFFAOYSA-N 1 2 388.537 2.673 40 0 GFABLO O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035380216 570365652 /nfs/dbraw/zinc/36/56/52/570365652.db2.gz DMCLCFCWODYPFH-YRXWBPOGSA-N 1 2 396.393 2.800 40 0 GFABLO O=C(c1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035380216 570365654 /nfs/dbraw/zinc/36/56/54/570365654.db2.gz DMCLCFCWODYPFH-YRXWBPOGSA-N 1 2 396.393 2.800 40 0 GFABLO NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1 ZINC000000676174 570477582 /nfs/dbraw/zinc/47/75/82/570477582.db2.gz GDEGVKPISSCCCL-UHFFFAOYSA-N 1 2 378.461 2.506 40 0 GFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCCC1 ZINC000000910841 570518132 /nfs/dbraw/zinc/51/81/32/570518132.db2.gz LGUHCTZHSAFFIV-SFHVURJKSA-N 1 2 396.495 2.854 40 0 GFABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(OC)c1O ZINC000261362399 570788014 /nfs/dbraw/zinc/78/80/14/570788014.db2.gz JJDFJJWLUSAYKW-QGZVFWFLSA-O 1 2 399.452 2.554 40 0 GFABLO O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000016740484 570932307 /nfs/dbraw/zinc/93/23/07/570932307.db2.gz COGRUEARCLDUKV-UHFFFAOYSA-N 1 2 388.493 2.697 40 0 GFABLO CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000019082388 570956325 /nfs/dbraw/zinc/95/63/25/570956325.db2.gz HQFDTJQBQIMLNP-INIZCTEOSA-N 1 2 381.524 2.914 40 0 GFABLO Cc1cccc(C)c1OCCO[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000027530927 570963820 /nfs/dbraw/zinc/96/38/20/570963820.db2.gz KDRYWTJLQOOGNH-JOCHJYFZSA-N 1 2 384.520 2.835 40 0 GFABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019533378 570999883 /nfs/dbraw/zinc/99/98/83/570999883.db2.gz FSSBVWAYPXUUGT-IYBDPMFKSA-N 1 2 398.507 2.753 40 0 GFABLO CCOc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019533378 570999885 /nfs/dbraw/zinc/99/98/85/570999885.db2.gz FSSBVWAYPXUUGT-IYBDPMFKSA-N 1 2 398.507 2.753 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464355 575366455 /nfs/dbraw/zinc/36/64/55/575366455.db2.gz ODDBVAWQVUIJTI-HOTGVXAUSA-N 1 2 392.415 2.641 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464355 575366460 /nfs/dbraw/zinc/36/64/60/575366460.db2.gz ODDBVAWQVUIJTI-HOTGVXAUSA-N 1 2 392.415 2.641 40 0 biogenic,in-vitro GFABLO COC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000004885331 204086706 /nfs/dbraw/zinc/08/67/06/204086706.db2.gz HPUXACWYEUDBLN-MSQSPTIYSA-N 1 2 396.418 2.516 40 0 GFABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)ccn1 ZINC000035424563 204191988 /nfs/dbraw/zinc/19/19/88/204191988.db2.gz LADSOXMJHRGDNI-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)ccn1 ZINC000035424563 204191994 /nfs/dbraw/zinc/19/19/94/204191994.db2.gz LADSOXMJHRGDNI-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO CC(C)(C)c1ncc(C(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)cn1 ZINC000036741168 205021557 /nfs/dbraw/zinc/02/15/57/205021557.db2.gz ZORFSMOOSBFPRL-QGZVFWFLSA-N 1 2 380.492 2.850 40 0 GFABLO CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340275 205327062 /nfs/dbraw/zinc/32/70/62/205327062.db2.gz IXMLMCBAXDISNI-WWMYMODYSA-N 1 2 391.439 2.634 40 0 GFABLO CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340275 205327065 /nfs/dbraw/zinc/32/70/65/205327065.db2.gz IXMLMCBAXDISNI-WWMYMODYSA-N 1 2 391.439 2.634 40 0 GFABLO CC(C)n1c(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)nc2ccccc21 ZINC000072335555 205327946 /nfs/dbraw/zinc/32/79/46/205327946.db2.gz WUKZYFGGWBWKCI-UHFFFAOYSA-N 1 2 392.507 2.859 40 0 GFABLO CC(C)n1c(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)nc2ccccc21 ZINC000072335555 205327948 /nfs/dbraw/zinc/32/79/48/205327948.db2.gz WUKZYFGGWBWKCI-UHFFFAOYSA-N 1 2 392.507 2.859 40 0 GFABLO O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355416 205332950 /nfs/dbraw/zinc/33/29/50/205332950.db2.gz YPMXNCXMLWRYJH-OAHLLOKOSA-N 1 2 381.411 2.586 40 0 GFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1cscn1 ZINC000247496521 206134354 /nfs/dbraw/zinc/13/43/54/206134354.db2.gz OJAFFWYYCXRGCC-OAHLLOKOSA-N 1 2 375.469 2.693 40 0 GFABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257290257 206173592 /nfs/dbraw/zinc/17/35/92/206173592.db2.gz QCENWPIFIUWLKF-YOEHRIQHSA-N 1 2 381.885 2.504 40 0 GFABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257290257 206173595 /nfs/dbraw/zinc/17/35/95/206173595.db2.gz QCENWPIFIUWLKF-YOEHRIQHSA-N 1 2 381.885 2.504 40 0 GFABLO COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)o2)c1 ZINC000257233157 206162800 /nfs/dbraw/zinc/16/28/00/206162800.db2.gz GOAUWWTVBUGPMR-QGZVFWFLSA-N 1 2 380.448 2.877 40 0 GFABLO COc1ccc(CC(=O)N2CC[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000257232332 206163437 /nfs/dbraw/zinc/16/34/37/206163437.db2.gz GKKYVWNWJPJSOO-QGZVFWFLSA-N 1 2 389.459 2.688 40 0 GFABLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(-c3cncnc3)n2)CC[N@@H+]1C ZINC000257255165 206167497 /nfs/dbraw/zinc/16/74/97/206167497.db2.gz KGJRJKWVGRNGKB-HXUWFJFHSA-N 1 2 389.459 2.676 40 0 GFABLO COc1ccccc1[C@H]1CN(C(=O)c2cccc(-c3cncnc3)n2)CC[N@H+]1C ZINC000257255165 206167500 /nfs/dbraw/zinc/16/75/00/206167500.db2.gz KGJRJKWVGRNGKB-HXUWFJFHSA-N 1 2 389.459 2.676 40 0 GFABLO Cc1cccc(CN2CCC[C@]3(C[N@H+](Cc4cn[nH]c4)CC(F)(F)C3)C2=O)n1 ZINC000306141685 206206277 /nfs/dbraw/zinc/20/62/77/206206277.db2.gz WDWYUUSEGMKBQQ-IBGZPJMESA-N 1 2 389.450 2.763 40 0 GFABLO Cc1cccc(CN2CCC[C@]3(C[N@@H+](Cc4cn[nH]c4)CC(F)(F)C3)C2=O)n1 ZINC000306141685 206206281 /nfs/dbraw/zinc/20/62/81/206206281.db2.gz WDWYUUSEGMKBQQ-IBGZPJMESA-N 1 2 389.450 2.763 40 0 GFABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)c1 ZINC000306144925 206206407 /nfs/dbraw/zinc/20/64/07/206206407.db2.gz ZSGTYZRJTFBNGZ-UHFFFAOYSA-N 1 2 391.475 2.923 40 0 GFABLO Cc1cccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)c1 ZINC000306144925 206206409 /nfs/dbraw/zinc/20/64/09/206206409.db2.gz ZSGTYZRJTFBNGZ-UHFFFAOYSA-N 1 2 391.475 2.923 40 0 GFABLO COCC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306130321 206199443 /nfs/dbraw/zinc/19/94/43/206199443.db2.gz JCIKSZSAMAEIOM-SFHVURJKSA-N 1 2 382.489 2.817 40 0 GFABLO Cn1cc(C(=O)N2Cc3ccccc3[C@H](c3[nH+]ccn3Cc3cccnc3)C2)cn1 ZINC000306130790 206201259 /nfs/dbraw/zinc/20/12/59/206201259.db2.gz JPLGELQEYYEOAE-OAQYLSRUSA-N 1 2 398.470 2.848 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306132872 206201743 /nfs/dbraw/zinc/20/17/43/206201743.db2.gz LUYHEHQKHBSJSK-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306132872 206201748 /nfs/dbraw/zinc/20/17/48/206201748.db2.gz LUYHEHQKHBSJSK-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1cc(C[NH+]2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1 ZINC000306136916 206202712 /nfs/dbraw/zinc/20/27/12/206202712.db2.gz QGTZGNQGPWJHQD-UHFFFAOYSA-N 1 2 391.454 2.591 40 0 GFABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(N2CCCc3ccccc32)nc1 ZINC000223893911 136205904 /nfs/dbraw/zinc/20/59/04/136205904.db2.gz BJMYPOBZSXRWLG-UHFFFAOYSA-N 1 2 397.548 2.785 40 0 GFABLO COC(=O)c1c(NC(=O)COc2ccccc2OC)sc2c1CC[N@H+](C)C2 ZINC000408564323 533700090 /nfs/dbraw/zinc/70/00/90/533700090.db2.gz VURYHNBVWDQCKB-UHFFFAOYSA-N 1 2 390.461 2.549 40 0 GFABLO COC(=O)c1c(NC(=O)COc2ccccc2OC)sc2c1CC[N@@H+](C)C2 ZINC000408564323 533700100 /nfs/dbraw/zinc/70/01/00/533700100.db2.gz VURYHNBVWDQCKB-UHFFFAOYSA-N 1 2 390.461 2.549 40 0 GFABLO C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000253396129 560040391 /nfs/dbraw/zinc/04/03/91/560040391.db2.gz DEFZBHNCSWYPND-AWEZNQCLSA-N 1 2 396.422 2.891 40 0 biogenic,in-vitro GFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(=O)C1CCCCC1 ZINC000012530250 560212868 /nfs/dbraw/zinc/21/28/68/560212868.db2.gz QMNZEQAZGIPTSH-IBGZPJMESA-N 1 2 381.476 2.938 40 0 biogenic,in-vitro GFABLO OCCCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328957085 563469099 /nfs/dbraw/zinc/46/90/99/563469099.db2.gz AJCHMCOBGMBJHE-UHFFFAOYSA-N 1 2 381.249 2.637 40 0 GFABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(N[C@H](C)CO)n1 ZINC000329023890 563470808 /nfs/dbraw/zinc/47/08/08/563470808.db2.gz OVYLCRXFTCQUSF-SNVBAGLBSA-N 1 2 377.286 2.805 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096090605 570210414 /nfs/dbraw/zinc/21/04/14/570210414.db2.gz AKWXQHJNYDUQSE-IEBWSBKVSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096090605 570210416 /nfs/dbraw/zinc/21/04/16/570210416.db2.gz AKWXQHJNYDUQSE-IEBWSBKVSA-N 1 2 376.909 2.986 40 0 GFABLO O=C(c1cc2c([nH+]c1NCC1CC1)CCN(c1ccncn1)CC2)N1CCCC1 ZINC000096260613 570225843 /nfs/dbraw/zinc/22/58/43/570225843.db2.gz UQUSZBXYTJAECG-UHFFFAOYSA-N 1 2 392.507 2.535 40 0 GFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1F ZINC000020801557 570281218 /nfs/dbraw/zinc/28/12/18/570281218.db2.gz ZTHHZNBQGXVEJT-OALUTQOASA-N 1 2 395.434 2.590 40 0 GFABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670316 570367884 /nfs/dbraw/zinc/36/78/84/570367884.db2.gz IHMHLQQTDROYTA-OALUTQOASA-N 1 2 388.491 2.655 40 0 GFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccn1 ZINC000261363918 570788659 /nfs/dbraw/zinc/78/86/59/570788659.db2.gz ILWKLIPOIWHCAH-GOSISDBHSA-O 1 2 380.453 2.557 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000019236990 570924176 /nfs/dbraw/zinc/92/41/76/570924176.db2.gz HPUXACWYEUDBLN-KCXPTXFHSA-N 1 2 396.418 2.516 40 0 GFABLO Cc1cc(=O)n2nc(CC(=O)Nc3ccccc3C[NH+]3CCCCCC3)[nH]c2n1 ZINC000019117390 570957019 /nfs/dbraw/zinc/95/70/19/570957019.db2.gz SCLKFUZCXRFPHP-UHFFFAOYSA-N 1 2 394.479 2.696 40 0 GFABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000101344929 570965403 /nfs/dbraw/zinc/96/54/03/570965403.db2.gz WZYOORBBJIMWMJ-ZRNYENFQSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000101344929 570965408 /nfs/dbraw/zinc/96/54/08/570965408.db2.gz WZYOORBBJIMWMJ-ZRNYENFQSA-N 1 2 392.430 2.969 40 0 GFABLO COC(=O)[C@@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000019236989 570966993 /nfs/dbraw/zinc/96/69/93/570966993.db2.gz HPUXACWYEUDBLN-AYMMHLMVSA-N 1 2 396.418 2.516 40 0 GFABLO c1ccc(-c2n[nH]nc2CN(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1 ZINC000019373940 570981607 /nfs/dbraw/zinc/98/16/07/570981607.db2.gz RVIOSOMRQSURMB-UHFFFAOYSA-N 1 2 392.507 2.591 40 0 GFABLO c1ccc(-c2nn[nH]c2CN(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1 ZINC000019373940 570981608 /nfs/dbraw/zinc/98/16/08/570981608.db2.gz RVIOSOMRQSURMB-UHFFFAOYSA-N 1 2 392.507 2.591 40 0 GFABLO c1ccc(-c2nn[nH]c2C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019373940 570981609 /nfs/dbraw/zinc/98/16/09/570981609.db2.gz RVIOSOMRQSURMB-UHFFFAOYSA-N 1 2 392.507 2.591 40 0 GFABLO c1ccc(-c2nn[nH]c2C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000019373940 570981610 /nfs/dbraw/zinc/98/16/10/570981610.db2.gz RVIOSOMRQSURMB-UHFFFAOYSA-N 1 2 392.507 2.591 40 0 GFABLO CCc1oc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019521498 570994629 /nfs/dbraw/zinc/99/46/29/570994629.db2.gz QTRHZGFIIGSDOE-FQEVSTJZSA-N 1 2 397.519 2.803 40 0 GFABLO CCc1oc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019521498 570994631 /nfs/dbraw/zinc/99/46/31/570994631.db2.gz QTRHZGFIIGSDOE-FQEVSTJZSA-N 1 2 397.519 2.803 40 0 GFABLO Cc1csc2c(C3CCN(S(=O)(=O)c4cccnc4)CC3)[nH+]c(C)n12 ZINC000019240580 207111840 /nfs/dbraw/zinc/11/18/40/207111840.db2.gz BWRGWALRFVKGJW-UHFFFAOYSA-N 1 2 376.507 2.976 40 0 GFABLO Cc1noc(-c2ccccc2OCC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000019286100 207113030 /nfs/dbraw/zinc/11/30/30/207113030.db2.gz IIVAOWFZFNAPSP-UHFFFAOYSA-N 1 2 393.447 2.558 40 0 GFABLO Cc1nc2sccn2c1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000019555078 207132243 /nfs/dbraw/zinc/13/22/43/207132243.db2.gz FTXFPNGNTLPBQD-UHFFFAOYSA-N 1 2 378.461 2.820 40 0 GFABLO Cc1nc2sccn2c1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000019555078 207132247 /nfs/dbraw/zinc/13/22/47/207132247.db2.gz FTXFPNGNTLPBQD-UHFFFAOYSA-N 1 2 378.461 2.820 40 0 GFABLO CCCNC(=O)c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1 ZINC000096155556 208278827 /nfs/dbraw/zinc/27/88/27/208278827.db2.gz IANCPZBUYXHMLS-UHFFFAOYSA-N 1 2 375.436 2.667 40 0 GFABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096265048 208297926 /nfs/dbraw/zinc/29/79/26/208297926.db2.gz BGHKIHRHKMQDJJ-NRFANRHFSA-N 1 2 390.491 2.670 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccc(C)cc1 ZINC000257279254 209065868 /nfs/dbraw/zinc/06/58/68/209065868.db2.gz OFTMMUHSNQSDQG-NQIIRXRSSA-N 1 2 380.492 2.918 40 0 GFABLO CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4cc[nH+]c(C)n4)C3)ccc2c1N ZINC000257309830 209072513 /nfs/dbraw/zinc/07/25/13/209072513.db2.gz UCOHRPLIGXWUKJ-FQEVSTJZSA-N 1 2 396.520 2.895 40 0 GFABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051308 136183440 /nfs/dbraw/zinc/18/34/40/136183440.db2.gz YXRPDPVBLVDPKI-OAQYLSRUSA-N 1 2 388.414 2.599 40 0 GFABLO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051308 136183441 /nfs/dbraw/zinc/18/34/41/136183441.db2.gz YXRPDPVBLVDPKI-OAQYLSRUSA-N 1 2 388.414 2.599 40 0 GFABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCC[C@H](O)C2)cc1)OCO3 ZINC000013563070 136201342 /nfs/dbraw/zinc/20/13/42/136201342.db2.gz QMNFPYLBGQXCQQ-SFHVURJKSA-N 1 2 393.443 2.830 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)n1C ZINC000257335320 209078965 /nfs/dbraw/zinc/07/89/65/209078965.db2.gz YJRSEKPPPQSZEV-INIZCTEOSA-N 1 2 376.464 2.675 40 0 GFABLO CC(C)Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257333188 209079430 /nfs/dbraw/zinc/07/94/30/209079430.db2.gz YAOAHWWKXANLRA-SFGWALBWSA-N 1 2 395.507 2.702 40 0 GFABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1OC ZINC000072390794 222246307 /nfs/dbraw/zinc/24/63/07/222246307.db2.gz PRKRVFXCUNVUGL-IBGZPJMESA-N 1 2 396.491 2.736 40 0 GFABLO COc1ccc(C[N@H+]2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1OC ZINC000072390794 222246312 /nfs/dbraw/zinc/24/63/12/222246312.db2.gz PRKRVFXCUNVUGL-IBGZPJMESA-N 1 2 396.491 2.736 40 0 GFABLO COc1ccccc1C[N@@H+](Cc1ccnc(N2CCOCC2)n1)C[C@@H]1CCCO1 ZINC000012187609 519096074 /nfs/dbraw/zinc/09/60/74/519096074.db2.gz DRQYNLOCJLKZLT-FQEVSTJZSA-N 1 2 398.507 2.503 40 0 GFABLO COc1ccccc1C[N@H+](Cc1ccnc(N2CCOCC2)n1)C[C@@H]1CCCO1 ZINC000012187609 519096084 /nfs/dbraw/zinc/09/60/84/519096084.db2.gz DRQYNLOCJLKZLT-FQEVSTJZSA-N 1 2 398.507 2.503 40 0 GFABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3cnccn3)no2)cc1 ZINC000015675472 560095678 /nfs/dbraw/zinc/09/56/78/560095678.db2.gz DXKUOPAXCOWOOA-SFHVURJKSA-N 1 2 389.419 2.558 40 0 biogenic,in-vitro GFABLO CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020799925 570281053 /nfs/dbraw/zinc/28/10/53/570281053.db2.gz LZJPQZZAALHJMS-AWEZNQCLSA-N 1 2 394.479 2.676 40 0 GFABLO CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670393 570367932 /nfs/dbraw/zinc/36/79/32/570367932.db2.gz VVEDKJNPNPKZSO-RTBURBONSA-N 1 2 388.491 2.511 40 0 GFABLO CC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1ccccc1N(C[NH+](C)C)C2=O ZINC000013635445 570765015 /nfs/dbraw/zinc/76/50/15/570765015.db2.gz ZHNZGWOGDAKWAI-HSZRJFAPSA-N 1 2 388.471 2.682 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257237055 570766812 /nfs/dbraw/zinc/76/68/12/570766812.db2.gz HEYIOGVGLDXCLK-HNNXBMFYSA-N 1 2 381.484 2.917 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257237055 570766815 /nfs/dbraw/zinc/76/68/15/570766815.db2.gz HEYIOGVGLDXCLK-HNNXBMFYSA-N 1 2 381.484 2.917 40 0 GFABLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc2n(C3CCOCC3)[nH]cc-2c(=O)n1 ZINC000139542786 571017184 /nfs/dbraw/zinc/01/71/84/571017184.db2.gz NINVWDFNTXENDC-DNVCBOLYSA-N 1 2 393.491 2.658 40 0 GFABLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc2n(C3CCOCC3)[nH]cc-2c(=O)n1 ZINC000139542786 571017192 /nfs/dbraw/zinc/01/71/92/571017192.db2.gz NINVWDFNTXENDC-DNVCBOLYSA-N 1 2 393.491 2.658 40 0 GFABLO COc1ccc([C@@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000095533709 655029974 /nfs/dbraw/zinc/02/99/74/655029974.db2.gz BOHSBBGHPHMBEC-CQSZACIVSA-N 1 2 375.226 2.997 40 0 GFABLO O=C(c1ccc(F)cc1)[C@H]1[C@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000049946763 206268300 /nfs/dbraw/zinc/26/83/00/206268300.db2.gz YANFNRSMJXESCV-KQKBASFTSA-N 1 2 391.398 2.975 40 0 biogenic,in-vitro GFABLO O=C(c1ccc(F)cc1)[C@H]1[C@H]2[C@@H](C(=O)[C@@H]3OC[C@H]2O3)[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000049946763 206268303 /nfs/dbraw/zinc/26/83/03/206268303.db2.gz YANFNRSMJXESCV-KQKBASFTSA-N 1 2 391.398 2.975 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@H+](Cc3ccccn3)CCN21 ZINC000253401491 206283399 /nfs/dbraw/zinc/28/33/99/206283399.db2.gz NBENSUYQJGUUAQ-SFHVURJKSA-N 1 2 382.483 2.642 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](Cc3ccccn3)CCN21 ZINC000253401491 206283402 /nfs/dbraw/zinc/28/34/02/206283402.db2.gz NBENSUYQJGUUAQ-SFHVURJKSA-N 1 2 382.483 2.642 40 0 biogenic,in-vitro GFABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(n3cnc4cccnc43)CC2)cc1 ZINC000012144595 206862850 /nfs/dbraw/zinc/86/28/50/206862850.db2.gz GHTUGEUPLJWRDI-UHFFFAOYSA-N 1 2 377.448 2.910 40 0 GFABLO Cc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)c(C)o1 ZINC000306141375 209105930 /nfs/dbraw/zinc/10/59/30/209105930.db2.gz VTIZQJLYIDLYRX-UHFFFAOYSA-N 1 2 395.463 2.825 40 0 GFABLO Cc1cc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)c(C)o1 ZINC000306141375 209105932 /nfs/dbraw/zinc/10/59/32/209105932.db2.gz VTIZQJLYIDLYRX-UHFFFAOYSA-N 1 2 395.463 2.825 40 0 GFABLO Cn1cc[nH+]c1[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019291310 207112878 /nfs/dbraw/zinc/11/28/78/207112878.db2.gz FUVNVFPQHWAMLC-PMXSJFBMSA-N 1 2 376.504 2.866 40 0 GFABLO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000019291274 207113920 /nfs/dbraw/zinc/11/39/20/207113920.db2.gz WOPKKVNVUQGXIT-NRFANRHFSA-N 1 2 396.466 2.669 40 0 GFABLO COc1ccc(OC)c(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c1 ZINC000019240302 207111163 /nfs/dbraw/zinc/11/11/63/207111163.db2.gz RGBKXCYHRIBHSN-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COc1ccc(OC)c(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c1 ZINC000019240302 207111167 /nfs/dbraw/zinc/11/11/67/207111167.db2.gz RGBKXCYHRIBHSN-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COc1cccc(OCCCn2c[nH+]cc2-c2cnc(N3CCOCC3)nc2)c1 ZINC000019719325 207155068 /nfs/dbraw/zinc/15/50/68/207155068.db2.gz QPKLFDISZGFERS-UHFFFAOYSA-N 1 2 395.463 2.654 40 0 GFABLO COc1cc(C)ccc1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(C)=O)CC2 ZINC000072372789 208006878 /nfs/dbraw/zinc/00/68/78/208006878.db2.gz WJYFOKABOHCQSR-IBGZPJMESA-N 1 2 397.523 2.727 40 0 GFABLO COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(C)=O)CC2 ZINC000072372789 208006884 /nfs/dbraw/zinc/00/68/84/208006884.db2.gz WJYFOKABOHCQSR-IBGZPJMESA-N 1 2 397.523 2.727 40 0 GFABLO CC(C)CC(=O)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)c[nH+]c32)CC1 ZINC000096053554 208258770 /nfs/dbraw/zinc/25/87/70/208258770.db2.gz BCCDTZNHWAGWDV-UHFFFAOYSA-N 1 2 380.492 2.959 40 0 GFABLO CCc1nc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccn23)cs1 ZINC000096154814 208279782 /nfs/dbraw/zinc/27/97/82/208279782.db2.gz UYTRLLOHYPLXGP-UHFFFAOYSA-N 1 2 384.505 2.687 40 0 GFABLO Cn1c[nH+]c2c1[C@H](C(=O)NCc1cccs1)N(C(=O)c1ccccc1)CC2 ZINC000096264979 208297543 /nfs/dbraw/zinc/29/75/43/208297543.db2.gz BJUVQISNDUSTAJ-GOSISDBHSA-N 1 2 380.473 2.538 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccc(F)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306131173 209102501 /nfs/dbraw/zinc/10/25/01/209102501.db2.gz JYCNHOQULPSQJQ-TZIWHRDSSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306131173 209102503 /nfs/dbraw/zinc/10/25/03/209102503.db2.gz JYCNHOQULPSQJQ-TZIWHRDSSA-N 1 2 397.475 2.982 40 0 GFABLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306135917 209103307 /nfs/dbraw/zinc/10/33/07/209103307.db2.gz PEIZDRTYIHFJAZ-NRFANRHFSA-N 1 2 385.475 2.675 40 0 GFABLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306135917 209103311 /nfs/dbraw/zinc/10/33/11/209103311.db2.gz PEIZDRTYIHFJAZ-NRFANRHFSA-N 1 2 385.475 2.675 40 0 GFABLO Cc1ccc(C(=O)N2C[C@@H](c3cn(C)c[nH+]3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306127633 209097537 /nfs/dbraw/zinc/09/75/37/209097537.db2.gz GDYGPPLAUMBINW-HRAATJIYSA-N 1 2 398.532 2.658 40 0 GFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000072389554 136169113 /nfs/dbraw/zinc/16/91/13/136169113.db2.gz JDKMSSRDOPQGOO-UHFFFAOYSA-N 1 2 375.476 2.867 40 0 GFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000072389554 136169114 /nfs/dbraw/zinc/16/91/14/136169114.db2.gz JDKMSSRDOPQGOO-UHFFFAOYSA-N 1 2 375.476 2.867 40 0 GFABLO Cc1nc2ccccc2n1CCCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257340115 209078830 /nfs/dbraw/zinc/07/88/30/209078830.db2.gz ZEPWUCZNBPAULK-PMACEKPBSA-N 1 2 381.480 2.546 40 0 GFABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccncc4)no3)[N@H+](C)C2)cc1 ZINC000030879516 560090056 /nfs/dbraw/zinc/09/00/56/560090056.db2.gz FYGJNVBJJAVNQR-RDJZCZTQSA-N 1 2 394.435 2.707 40 0 biogenic,in-vitro GFABLO COc1ccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccncc4)no3)[N@@H+](C)C2)cc1 ZINC000030879516 560090058 /nfs/dbraw/zinc/09/00/58/560090058.db2.gz FYGJNVBJJAVNQR-RDJZCZTQSA-N 1 2 394.435 2.707 40 0 biogenic,in-vitro GFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c(Br)c1 ZINC000328955318 563469113 /nfs/dbraw/zinc/46/91/13/563469113.db2.gz ABNSJXKQOZRQPU-NSHDSACASA-N 1 2 377.286 2.805 40 0 GFABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1C ZINC000057670348 570367757 /nfs/dbraw/zinc/36/77/57/570367757.db2.gz IQDBEQLWPSJOIY-CTNGQTDRSA-N 1 2 398.555 2.988 40 0 GFABLO CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223128544 570445018 /nfs/dbraw/zinc/44/50/18/570445018.db2.gz WTBSVULHMNFJOQ-WOJBJXKFSA-N 1 2 399.564 2.769 40 0 GFABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1CCC[NH+]1CCOCC1 ZINC000223167877 570447778 /nfs/dbraw/zinc/44/77/78/570447778.db2.gz UORXBURSLLEINS-MSOLQXFVSA-N 1 2 388.562 2.838 40 0 GFABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000035290743 570458415 /nfs/dbraw/zinc/45/84/15/570458415.db2.gz TYJALOIJVRGZMA-INIZCTEOSA-N 1 2 390.919 2.758 40 0 GFABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000035290741 570458427 /nfs/dbraw/zinc/45/84/27/570458427.db2.gz TYJALOIJVRGZMA-MRXNPFEDSA-N 1 2 390.919 2.758 40 0 GFABLO Cc1nc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc2ccccc12 ZINC000006527688 570482721 /nfs/dbraw/zinc/48/27/21/570482721.db2.gz HKUFPXSSXYTAMR-UHFFFAOYSA-N 1 2 379.489 2.774 40 0 GFABLO Cc1cccc(C)c1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000030096314 570610117 /nfs/dbraw/zinc/61/01/17/570610117.db2.gz GHXOHDTYADQWAQ-UHFFFAOYSA-N 1 2 382.460 2.755 40 0 GFABLO O=C(C[N@@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1nccs1 ZINC000012118515 570612505 /nfs/dbraw/zinc/61/25/05/570612505.db2.gz HPHIUKIHUUAEOO-OAHLLOKOSA-N 1 2 380.477 2.813 40 0 GFABLO O=C(C[N@H+]1CCC[C@@H](c2ncncc2-c2ccncc2)C1)Nc1nccs1 ZINC000012118515 570612510 /nfs/dbraw/zinc/61/25/10/570612510.db2.gz HPHIUKIHUUAEOO-OAHLLOKOSA-N 1 2 380.477 2.813 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497294 570807688 /nfs/dbraw/zinc/80/76/88/570807688.db2.gz JWHVOBLPPCZCFU-RTXPOLOASA-N 1 2 392.455 2.685 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000017081437 570919451 /nfs/dbraw/zinc/91/94/51/570919451.db2.gz BFPLSOZROXFXCI-IUODEOHRSA-N 1 2 398.381 2.612 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000017081437 570919453 /nfs/dbraw/zinc/91/94/53/570919453.db2.gz BFPLSOZROXFXCI-IUODEOHRSA-N 1 2 398.381 2.612 40 0 GFABLO Cc1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019824004 570930210 /nfs/dbraw/zinc/93/02/10/570930210.db2.gz KKAYZQHYCUIOJN-UHFFFAOYSA-N 1 2 381.476 2.788 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4cccs4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140564 209106162 /nfs/dbraw/zinc/10/61/62/209106162.db2.gz UXKZOKZJIXLHGU-MJGOQNOKSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4cccs4)C[C@@H]2S3(=O)=O)cn1 ZINC000306140564 209106164 /nfs/dbraw/zinc/10/61/64/209106164.db2.gz UXKZOKZJIXLHGU-MJGOQNOKSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 ZINC000019291218 207113450 /nfs/dbraw/zinc/11/34/50/207113450.db2.gz BRLJZNKXYAYNQY-LJQANCHMSA-N 1 2 390.422 2.718 40 0 GFABLO CSc1nnc([C@@H]2CCCN2C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000019289277 207113671 /nfs/dbraw/zinc/11/36/71/207113671.db2.gz CDJQNYZIDKVLAZ-GJZGRUSLSA-N 1 2 386.525 2.512 40 0 GFABLO Cc1cccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022402140 207254416 /nfs/dbraw/zinc/25/44/16/207254416.db2.gz BQEKCGMCVVGVAC-UHFFFAOYSA-N 1 2 399.516 2.719 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cccc(F)c3)C1=O)CC2 ZINC000096305307 208305133 /nfs/dbraw/zinc/30/51/33/208305133.db2.gz CRIUXMRPZRZHKB-KRWDZBQOSA-N 1 2 384.407 2.533 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cccc(F)c3)C1=O)CC2 ZINC000096305307 208305140 /nfs/dbraw/zinc/30/51/40/208305140.db2.gz CRIUXMRPZRZHKB-KRWDZBQOSA-N 1 2 384.407 2.533 40 0 GFABLO COCC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2csc(C)n2)C1 ZINC000306130320 209098921 /nfs/dbraw/zinc/09/89/21/209098921.db2.gz JCIKSZSAMAEIOM-GOSISDBHSA-N 1 2 382.489 2.817 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000306130765 209098611 /nfs/dbraw/zinc/09/86/11/209098611.db2.gz JOUOESSZYOVJJW-YADHBBJMSA-N 1 2 384.545 2.603 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000306130765 209098613 /nfs/dbraw/zinc/09/86/13/209098613.db2.gz JOUOESSZYOVJJW-YADHBBJMSA-N 1 2 384.545 2.603 40 0 GFABLO CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223128602 208892690 /nfs/dbraw/zinc/89/26/90/208892690.db2.gz WTBSVULHMNFJOQ-UXHICEINSA-N 1 2 399.564 2.769 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2S3(=O)=O)cn1 ZINC000306127198 209097847 /nfs/dbraw/zinc/09/78/47/209097847.db2.gz FRLDURIMZUNAAW-CTNGQTDRSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2S3(=O)=O)cn1 ZINC000306127198 209097849 /nfs/dbraw/zinc/09/78/49/209097849.db2.gz FRLDURIMZUNAAW-CTNGQTDRSA-N 1 2 397.475 2.982 40 0 GFABLO COc1cccc(C[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1OC ZINC000072395031 222252189 /nfs/dbraw/zinc/25/21/89/222252189.db2.gz LUCAMIBXILMJGP-GCJKJVERSA-N 1 2 380.444 2.521 40 0 GFABLO COc1cccc(C[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1OC ZINC000072395031 222252194 /nfs/dbraw/zinc/25/21/94/222252194.db2.gz LUCAMIBXILMJGP-GCJKJVERSA-N 1 2 380.444 2.521 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530118 560212904 /nfs/dbraw/zinc/21/29/04/560212904.db2.gz QWZGMYQZUQQXFH-GJZGRUSLSA-N 1 2 399.842 2.747 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530118 560212906 /nfs/dbraw/zinc/21/29/06/560212906.db2.gz QWZGMYQZUQQXFH-GJZGRUSLSA-N 1 2 399.842 2.747 40 0 biogenic,in-vitro GFABLO CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020799921 570280948 /nfs/dbraw/zinc/28/09/48/570280948.db2.gz LZJPQZZAALHJMS-CQSZACIVSA-N 1 2 394.479 2.676 40 0 GFABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383333 570354011 /nfs/dbraw/zinc/35/40/11/570354011.db2.gz WSLRIAZONWXYQC-JAXLGGSGSA-N 1 2 383.467 2.814 40 0 biogenic,in-vitro GFABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000604383333 570354016 /nfs/dbraw/zinc/35/40/16/570354016.db2.gz WSLRIAZONWXYQC-JAXLGGSGSA-N 1 2 383.467 2.814 40 0 biogenic,in-vitro GFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000012089510 570607240 /nfs/dbraw/zinc/60/72/40/570607240.db2.gz LVCXATUVJGCVCI-UHFFFAOYSA-N 1 2 384.443 2.988 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000012089510 570607241 /nfs/dbraw/zinc/60/72/41/570607241.db2.gz LVCXATUVJGCVCI-UHFFFAOYSA-N 1 2 384.443 2.988 40 0 GFABLO CCCn1c(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)nc2ccccc21 ZINC000012116261 570611118 /nfs/dbraw/zinc/61/11/18/570611118.db2.gz GYCUOASUVZHNMB-UHFFFAOYSA-N 1 2 392.507 2.688 40 0 GFABLO CCCn1c(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)nc2ccccc21 ZINC000012116261 570611120 /nfs/dbraw/zinc/61/11/20/570611120.db2.gz GYCUOASUVZHNMB-UHFFFAOYSA-N 1 2 392.507 2.688 40 0 GFABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118500 570612678 /nfs/dbraw/zinc/61/26/78/570612678.db2.gz KPHOJBBZTDDYMJ-HNNXBMFYSA-N 1 2 396.451 2.863 40 0 GFABLO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118500 570612680 /nfs/dbraw/zinc/61/26/80/570612680.db2.gz KPHOJBBZTDDYMJ-HNNXBMFYSA-N 1 2 396.451 2.863 40 0 GFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847554 570634012 /nfs/dbraw/zinc/63/40/12/570634012.db2.gz GICXFLXNWDVPNP-GOSISDBHSA-N 1 2 398.511 2.524 40 0 GFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847554 570634015 /nfs/dbraw/zinc/63/40/15/570634015.db2.gz GICXFLXNWDVPNP-GOSISDBHSA-N 1 2 398.511 2.524 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)c(OC)c1)C[N@@H+](C)CC2 ZINC000004223489 570726929 /nfs/dbraw/zinc/72/69/29/570726929.db2.gz RSZJRIACINMDJC-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)c(OC)c1)C[N@H+](C)CC2 ZINC000004223489 570726933 /nfs/dbraw/zinc/72/69/33/570726933.db2.gz RSZJRIACINMDJC-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO Cn1c2[nH]c(CCCCCCCc3[nH]c4ccccc4[nH+]3)nc2c(=O)n(C)c1=O ZINC000013284732 570752536 /nfs/dbraw/zinc/75/25/36/570752536.db2.gz QXYKNXBGKOCMHF-UHFFFAOYSA-N 1 2 394.479 2.572 40 0 GFABLO O=C(CCc1nc2cc(Cl)ccc2[nH]1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257242679 570768786 /nfs/dbraw/zinc/76/87/86/570768786.db2.gz IDRORNOBGZLQSE-IRXDYDNUSA-N 1 2 387.871 2.570 40 0 GFABLO O=C(CCc1nc2ccc(Cl)cc2[nH]1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257242679 570768789 /nfs/dbraw/zinc/76/87/89/570768789.db2.gz IDRORNOBGZLQSE-IRXDYDNUSA-N 1 2 387.871 2.570 40 0 GFABLO CCSc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000072339882 570880082 /nfs/dbraw/zinc/88/00/82/570880082.db2.gz JHXPLHCFBGANNP-UHFFFAOYSA-N 1 2 380.477 2.705 40 0 GFABLO CCSc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000072339882 570880083 /nfs/dbraw/zinc/88/00/83/570880083.db2.gz JHXPLHCFBGANNP-UHFFFAOYSA-N 1 2 380.477 2.705 40 0 GFABLO CCn1cc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144848 209109140 /nfs/dbraw/zinc/10/91/40/209109140.db2.gz ZQEBKLBNAGDRKX-FQEVSTJZSA-N 1 2 393.539 2.640 40 0 GFABLO CCn1cc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144848 209109135 /nfs/dbraw/zinc/10/91/35/209109135.db2.gz ZQEBKLBNAGDRKX-FQEVSTJZSA-N 1 2 393.539 2.640 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142261 209108753 /nfs/dbraw/zinc/10/87/53/209108753.db2.gz WUTPUHDZZFYURA-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142261 209108756 /nfs/dbraw/zinc/10/87/56/209108756.db2.gz WUTPUHDZZFYURA-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329008480 206240383 /nfs/dbraw/zinc/24/03/83/206240383.db2.gz LQWPGZBVHFUTEX-UHFFFAOYSA-N 1 2 395.488 2.739 40 0 GFABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885465 206567370 /nfs/dbraw/zinc/56/73/70/206567370.db2.gz MOQSAHOVJOVCIP-KGYLXKDPSA-N 1 2 392.455 2.767 40 0 GFABLO CCn1ncc(-c2cc(C(F)F)nc(N[C@H](C)C[NH+]3CCOCC3)n2)c1C ZINC000036614239 207047598 /nfs/dbraw/zinc/04/75/98/207047598.db2.gz ISQCIJNRZUIFTB-GFCCVEGCSA-N 1 2 380.443 2.739 40 0 GFABLO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019018301 207099055 /nfs/dbraw/zinc/09/90/55/207099055.db2.gz QVONIGGHHFOAHQ-IBGZPJMESA-N 1 2 380.496 2.545 40 0 GFABLO CNc1ncccc1C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019018301 207099059 /nfs/dbraw/zinc/09/90/59/207099059.db2.gz QVONIGGHHFOAHQ-IBGZPJMESA-N 1 2 380.496 2.545 40 0 GFABLO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000019289275 207112775 /nfs/dbraw/zinc/11/27/75/207112775.db2.gz CDJQNYZIDKVLAZ-CABCVRRESA-N 1 2 386.525 2.512 40 0 GFABLO O=C(c1ccnn1C(F)F)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000019335975 207117002 /nfs/dbraw/zinc/11/70/02/207117002.db2.gz ZFXZVZSXFJXOIG-UHFFFAOYSA-N 1 2 384.814 2.768 40 0 GFABLO CCNc1cc(-c2ccc(C(=O)N3CCCC3)cc2)[nH+]c(N2CCOCC2)n1 ZINC000019529414 207131191 /nfs/dbraw/zinc/13/11/91/207131191.db2.gz NKABTWWQDKKAOJ-UHFFFAOYSA-N 1 2 381.480 2.648 40 0 GFABLO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1 ZINC000019703623 207149886 /nfs/dbraw/zinc/14/98/86/207149886.db2.gz FOVXLFCKGAAPGR-SFHVURJKSA-N 1 2 376.888 2.910 40 0 GFABLO CN(C)C(=O)C[N@H+]1CCC[C@H]1c1cc(CCOc2cccc(Cl)c2)n[nH]1 ZINC000019703623 207149890 /nfs/dbraw/zinc/14/98/90/207149890.db2.gz FOVXLFCKGAAPGR-SFHVURJKSA-N 1 2 376.888 2.910 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCC[N@H+]4C)n3CC1)CCCC2 ZINC000019706341 207150897 /nfs/dbraw/zinc/15/08/97/207150897.db2.gz HNHADABCQRLNRU-INIZCTEOSA-N 1 2 383.496 2.524 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCC[N@@H+]4C)n3CC1)CCCC2 ZINC000019706341 207150901 /nfs/dbraw/zinc/15/09/01/207150901.db2.gz HNHADABCQRLNRU-INIZCTEOSA-N 1 2 383.496 2.524 40 0 GFABLO CC1CCN(S(=O)(=O)N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)CC1 ZINC000019719815 207154935 /nfs/dbraw/zinc/15/49/35/207154935.db2.gz KOCSXEHMGKNMBB-INIZCTEOSA-N 1 2 376.526 2.794 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)CC1 ZINC000020798766 207214310 /nfs/dbraw/zinc/21/43/10/207214310.db2.gz AYJSLPPVGXUQSI-MRXNPFEDSA-N 1 2 378.856 2.555 40 0 GFABLO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000072378342 208009122 /nfs/dbraw/zinc/00/91/22/208009122.db2.gz RMBHUJYNIHFQEM-HXUWFJFHSA-N 1 2 386.471 2.930 40 0 GFABLO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000072398794 208014346 /nfs/dbraw/zinc/01/43/46/208014346.db2.gz HANCVCZBWWINCR-QGZVFWFLSA-N 1 2 386.521 2.853 40 0 GFABLO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000072398794 208014352 /nfs/dbraw/zinc/01/43/52/208014352.db2.gz HANCVCZBWWINCR-QGZVFWFLSA-N 1 2 386.521 2.853 40 0 GFABLO COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)cc1 ZINC000096060775 208259088 /nfs/dbraw/zinc/25/90/88/208259088.db2.gz NWQRUIXJJDQAFK-KRWDZBQOSA-N 1 2 379.464 2.535 40 0 GFABLO COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)cc1 ZINC000096060775 208259090 /nfs/dbraw/zinc/25/90/90/208259090.db2.gz NWQRUIXJJDQAFK-KRWDZBQOSA-N 1 2 379.464 2.535 40 0 GFABLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096229290 208290784 /nfs/dbraw/zinc/29/07/84/208290784.db2.gz LBGXFIXBIXLVSP-HXUWFJFHSA-N 1 2 386.521 2.601 40 0 GFABLO Cc1nc(C[N@H+]2CCOC[C@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096229290 208290790 /nfs/dbraw/zinc/29/07/90/208290790.db2.gz LBGXFIXBIXLVSP-HXUWFJFHSA-N 1 2 386.521 2.601 40 0 GFABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1ccnc(C)n1)C3 ZINC000100752981 208381914 /nfs/dbraw/zinc/38/19/14/208381914.db2.gz AMRJJDGQXGYTFP-UHFFFAOYSA-N 1 2 376.420 2.660 40 0 GFABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](Cc1ccnc(C)n1)C3 ZINC000100752981 208381918 /nfs/dbraw/zinc/38/19/18/208381918.db2.gz AMRJJDGQXGYTFP-UHFFFAOYSA-N 1 2 376.420 2.660 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccc(F)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306131172 209101818 /nfs/dbraw/zinc/10/18/18/209101818.db2.gz JYCNHOQULPSQJQ-PZJWPPBQSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@H]2S3(=O)=O)cn1 ZINC000306131172 209101822 /nfs/dbraw/zinc/10/18/22/209101822.db2.gz JYCNHOQULPSQJQ-PZJWPPBQSA-N 1 2 397.475 2.982 40 0 GFABLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000019824001 208806213 /nfs/dbraw/zinc/80/62/13/208806213.db2.gz BWMNZTZFMODKPG-UHFFFAOYSA-N 1 2 381.476 2.788 40 0 GFABLO CNC(=O)c1sc2nc([C@@]3(C)CCCN(c4cc(C)[nH+]cn4)C3)ccc2c1N ZINC000257214494 209056886 /nfs/dbraw/zinc/05/68/86/209056886.db2.gz CMEPCIGZXJXVRJ-FQEVSTJZSA-N 1 2 396.520 2.895 40 0 GFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2Cl)C3)C[C@H](C)O1 ZINC000072347253 136168654 /nfs/dbraw/zinc/16/86/54/136168654.db2.gz AHUSHPGMICLJSZ-KBPBESRZSA-N 1 2 388.899 2.595 40 0 GFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2Cl)C3)C[C@H](C)O1 ZINC000072347253 136168655 /nfs/dbraw/zinc/16/86/55/136168655.db2.gz AHUSHPGMICLJSZ-KBPBESRZSA-N 1 2 388.899 2.595 40 0 GFABLO COc1cccc(C(=O)N2CC[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)c1 ZINC000257329769 209076639 /nfs/dbraw/zinc/07/66/39/209076639.db2.gz XLLZPMOUCBGGAI-INIZCTEOSA-N 1 2 375.432 2.759 40 0 GFABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000408616862 534212478 /nfs/dbraw/zinc/21/24/78/534212478.db2.gz CMVAVZOEYLTFJS-UHFFFAOYSA-N 1 2 398.488 2.812 40 0 GFABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000019559418 551114253 /nfs/dbraw/zinc/11/42/53/551114253.db2.gz XKCVNAKYUNGOBC-UHFFFAOYSA-N 1 2 380.897 2.855 40 0 GFABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289429 560032408 /nfs/dbraw/zinc/03/24/08/560032408.db2.gz UCUVMYPGWZNKPD-KBPBESRZSA-N 1 2 375.444 2.836 40 0 biogenic,in-vitro GFABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000514289429 560032409 /nfs/dbraw/zinc/03/24/09/560032409.db2.gz UCUVMYPGWZNKPD-KBPBESRZSA-N 1 2 375.444 2.836 40 0 biogenic,in-vitro GFABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)c1 ZINC000035425098 560081035 /nfs/dbraw/zinc/08/10/35/560081035.db2.gz KODZEFQNBVRWIR-SFHVURJKSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)c1 ZINC000035425098 560081037 /nfs/dbraw/zinc/08/10/37/560081037.db2.gz KODZEFQNBVRWIR-SFHVURJKSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015674960 560095861 /nfs/dbraw/zinc/09/58/61/560095861.db2.gz SFIDZCJIECQZDP-WBVHZDCISA-N 1 2 395.415 2.782 40 0 biogenic,in-vitro GFABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015674960 560095863 /nfs/dbraw/zinc/09/58/63/560095863.db2.gz SFIDZCJIECQZDP-WBVHZDCISA-N 1 2 395.415 2.782 40 0 biogenic,in-vitro GFABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)n1 ZINC000585291073 570259967 /nfs/dbraw/zinc/25/99/67/570259967.db2.gz JHHKWKZJEIEQLD-LLYBFZRZSA-N 1 2 375.436 2.676 40 0 GFABLO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656372 570419020 /nfs/dbraw/zinc/41/90/20/570419020.db2.gz BMTYIIPPLLHWQA-INIZCTEOSA-N 1 2 382.460 2.781 40 0 GFABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3C)CC2)cc1 ZINC000035291839 570461164 /nfs/dbraw/zinc/46/11/64/570461164.db2.gz IRLAKKWQKKGSLY-UHFFFAOYSA-N 1 2 381.476 2.837 40 0 GFABLO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225635309 570596965 /nfs/dbraw/zinc/59/69/65/570596965.db2.gz OSBUCMGWVPKRSY-LAUBAEHRSA-N 1 2 376.497 2.931 40 0 GFABLO CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CC[NH+](Cc2ccco2)CC1 ZINC000012119398 570612648 /nfs/dbraw/zinc/61/26/48/570612648.db2.gz RJWKEHUAZBXFRJ-UHFFFAOYSA-N 1 2 398.488 2.915 40 0 GFABLO CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)ccc1OC ZINC000012142845 570614794 /nfs/dbraw/zinc/61/47/94/570614794.db2.gz AKOKLNZZJKEDMI-UHFFFAOYSA-N 1 2 383.496 2.625 40 0 GFABLO CCOc1cc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1OC ZINC000012142845 570614798 /nfs/dbraw/zinc/61/47/98/570614798.db2.gz AKOKLNZZJKEDMI-UHFFFAOYSA-N 1 2 383.496 2.625 40 0 GFABLO CCOc1cc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1OC ZINC000012142845 570614801 /nfs/dbraw/zinc/61/48/01/570614801.db2.gz AKOKLNZZJKEDMI-UHFFFAOYSA-N 1 2 383.496 2.625 40 0 GFABLO Cc1ccc(NC(=O)NC2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000004909786 570648445 /nfs/dbraw/zinc/64/84/45/570648445.db2.gz ASMWACBDBWBZGR-UHFFFAOYSA-N 1 2 386.521 2.959 40 0 GFABLO CSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)n1C ZINC000005001498 570651767 /nfs/dbraw/zinc/65/17/67/570651767.db2.gz KPRMKXZLYFOCRL-INIZCTEOSA-N 1 2 385.537 2.844 40 0 GFABLO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)n1C ZINC000005001498 570651769 /nfs/dbraw/zinc/65/17/69/570651769.db2.gz KPRMKXZLYFOCRL-INIZCTEOSA-N 1 2 385.537 2.844 40 0 GFABLO CCc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2CC)cc1 ZINC000019522912 570928361 /nfs/dbraw/zinc/92/83/61/570928361.db2.gz APBYGAWYIIIKEF-UHFFFAOYSA-N 1 2 376.526 2.864 40 0 GFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCCC1 ZINC000000911296 206333686 /nfs/dbraw/zinc/33/36/86/206333686.db2.gz BDOKRPCNFBOYRR-SFHVURJKSA-N 1 2 396.495 2.854 40 0 GFABLO Cc1cccc(-n2cccc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)n1 ZINC000019236401 207109616 /nfs/dbraw/zinc/10/96/16/207109616.db2.gz VBHQYFDUMCRMSI-UHFFFAOYSA-N 1 2 391.519 2.910 40 0 GFABLO CCOC(=O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000019530182 207130636 /nfs/dbraw/zinc/13/06/36/207130636.db2.gz LJHNIFMNGCXNAP-SFHVURJKSA-N 1 2 390.455 2.943 40 0 GFABLO O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019402038 207122789 /nfs/dbraw/zinc/12/27/89/207122789.db2.gz ZOZAXSIHVPYVJG-UXHICEINSA-N 1 2 398.551 2.939 40 0 GFABLO COCC[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2C(F)(F)F)CC1 ZINC000019593409 207144576 /nfs/dbraw/zinc/14/45/76/207144576.db2.gz FLECTAHWXCWQCX-UHFFFAOYSA-N 1 2 383.370 2.765 40 0 GFABLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000026895288 207321147 /nfs/dbraw/zinc/32/11/47/207321147.db2.gz DEGDZTPEJCXSMX-SFHVURJKSA-N 1 2 389.496 2.950 40 0 GFABLO CC[NH+]1CCN(S(=O)(=O)c2c(C)c(C)cc(Br)c2C)CC1 ZINC000072414521 208018453 /nfs/dbraw/zinc/01/84/53/208018453.db2.gz PJCPBOOGGKCRIM-UHFFFAOYSA-N 1 2 375.332 2.701 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]32)c1 ZINC000306139000 209105574 /nfs/dbraw/zinc/10/55/74/209105574.db2.gz SMPVPGAHMBZFIW-RTWAWAEBSA-N 1 2 398.528 2.509 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]32)c1 ZINC000306139000 209105579 /nfs/dbraw/zinc/10/55/79/209105579.db2.gz SMPVPGAHMBZFIW-RTWAWAEBSA-N 1 2 398.528 2.509 40 0 GFABLO Cc1cccc(-c2noc(CNC(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000219248070 208845164 /nfs/dbraw/zinc/84/51/64/208845164.db2.gz GWCPJCNGUWNAED-UHFFFAOYSA-N 1 2 392.459 2.807 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2S3(=O)=O)cn1 ZINC000306127199 209097226 /nfs/dbraw/zinc/09/72/26/209097226.db2.gz FRLDURIMZUNAAW-FPOVZHCZSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2S3(=O)=O)cn1 ZINC000306127199 209097222 /nfs/dbraw/zinc/09/72/22/209097222.db2.gz FRLDURIMZUNAAW-FPOVZHCZSA-N 1 2 397.475 2.982 40 0 GFABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257318517 209074009 /nfs/dbraw/zinc/07/40/09/209074009.db2.gz VOGWHOQVVGCELN-QFIPXVFZSA-N 1 2 389.459 2.901 40 0 GFABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257318517 209074012 /nfs/dbraw/zinc/07/40/12/209074012.db2.gz VOGWHOQVVGCELN-QFIPXVFZSA-N 1 2 389.459 2.901 40 0 GFABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC000225401486 560043690 /nfs/dbraw/zinc/04/36/90/560043690.db2.gz XGNBKMKOEVFVQW-VQTJNVASSA-N 1 2 387.524 2.643 40 0 biogenic,in-vitro GFABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)NCC1CCCCC1 ZINC000225401486 560043692 /nfs/dbraw/zinc/04/36/92/560043692.db2.gz XGNBKMKOEVFVQW-VQTJNVASSA-N 1 2 387.524 2.643 40 0 biogenic,in-vitro GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(CO)o2)n1 ZINC000035424882 560080514 /nfs/dbraw/zinc/08/05/14/560080514.db2.gz DBBIMAVKMXWBIX-KRWDZBQOSA-N 1 2 399.451 2.612 40 0 biogenic,in-vitro GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(CO)o2)n1 ZINC000035424882 560080515 /nfs/dbraw/zinc/08/05/15/560080515.db2.gz DBBIMAVKMXWBIX-KRWDZBQOSA-N 1 2 399.451 2.612 40 0 biogenic,in-vitro GFABLO O=C(NCc1nc(-c2cccs2)no1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110669053 570324500 /nfs/dbraw/zinc/32/45/00/570324500.db2.gz WNYQAJVRBHYAEA-UHFFFAOYSA-N 1 2 384.461 2.560 40 0 GFABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1C ZINC000057670341 570367805 /nfs/dbraw/zinc/36/78/05/570367805.db2.gz IQDBEQLWPSJOIY-PZJWPPBQSA-N 1 2 398.555 2.988 40 0 GFABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](O)[C@]4(CCCO4)C3)n2)cc1 ZINC000257229489 570764548 /nfs/dbraw/zinc/76/45/48/570764548.db2.gz FYHQLVGXGKBRQP-PXNSSMCTSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](O)[C@]4(CCCO4)C3)n2)cc1 ZINC000257229489 570764551 /nfs/dbraw/zinc/76/45/51/570764551.db2.gz FYHQLVGXGKBRQP-PXNSSMCTSA-N 1 2 387.505 2.673 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)cc[nH+]1 ZINC000257243651 570768762 /nfs/dbraw/zinc/76/87/62/570768762.db2.gz IHYBEMFFKQODMO-OAHLLOKOSA-N 1 2 395.438 2.978 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000014607411 570893226 /nfs/dbraw/zinc/89/32/26/570893226.db2.gz VJMHLJULSQVBJT-XHDPSFHLSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000014607411 570893232 /nfs/dbraw/zinc/89/32/32/570893232.db2.gz VJMHLJULSQVBJT-XHDPSFHLSA-N 1 2 399.274 2.900 40 0 GFABLO OCCNc1nc(NCc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000329064695 206244098 /nfs/dbraw/zinc/24/40/98/206244098.db2.gz XLZARMLACGCUJJ-UHFFFAOYSA-N 1 2 399.292 2.766 40 0 GFABLO Cn1ccnc1-c1nc(NCC[NH+]2CCOCC2)ncc1-c1ccc(Cl)cc1 ZINC000019291675 207115030 /nfs/dbraw/zinc/11/50/30/207115030.db2.gz VQFLEOYGAMIVAN-UHFFFAOYSA-N 1 2 398.898 2.942 40 0 GFABLO CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019499811 207126148 /nfs/dbraw/zinc/12/61/48/207126148.db2.gz ROQVCIKIWWOHOQ-HOTGVXAUSA-N 1 2 399.539 2.954 40 0 GFABLO CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019499811 207126149 /nfs/dbraw/zinc/12/61/49/207126149.db2.gz ROQVCIKIWWOHOQ-HOTGVXAUSA-N 1 2 399.539 2.954 40 0 GFABLO CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019499809 207127117 /nfs/dbraw/zinc/12/71/17/207127117.db2.gz ROQVCIKIWWOHOQ-JKSUJKDBSA-N 1 2 399.539 2.954 40 0 GFABLO CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019499809 207127119 /nfs/dbraw/zinc/12/71/19/207127119.db2.gz ROQVCIKIWWOHOQ-JKSUJKDBSA-N 1 2 399.539 2.954 40 0 GFABLO CCOc1cc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)ccc1OC ZINC000019532097 207129767 /nfs/dbraw/zinc/12/97/67/207129767.db2.gz SBXHXOMJGJXJHJ-UHFFFAOYSA-N 1 2 398.507 2.726 40 0 GFABLO CCOc1cc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)ccc1OC ZINC000019532097 207129772 /nfs/dbraw/zinc/12/97/72/207129772.db2.gz SBXHXOMJGJXJHJ-UHFFFAOYSA-N 1 2 398.507 2.726 40 0 GFABLO CC(C)Oc1ccc(C[N@@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)cc1 ZINC000019450680 207122364 /nfs/dbraw/zinc/12/23/64/207122364.db2.gz KOGQZZBBUNWMHC-UHFFFAOYSA-N 1 2 377.448 2.985 40 0 GFABLO CC(C)Oc1ccc(C[N@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)cc1 ZINC000019450680 207122368 /nfs/dbraw/zinc/12/23/68/207122368.db2.gz KOGQZZBBUNWMHC-UHFFFAOYSA-N 1 2 377.448 2.985 40 0 GFABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000019664336 207147029 /nfs/dbraw/zinc/14/70/29/207147029.db2.gz HHXOQOITWGQPNT-UHFFFAOYSA-N 1 2 380.448 2.647 40 0 GFABLO CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1 ZINC000020635642 207208302 /nfs/dbraw/zinc/20/83/02/207208302.db2.gz NHZDRNCLNCPNKO-HNNXBMFYSA-N 1 2 394.479 2.676 40 0 GFABLO C[C@@](O)(c1ccccc1)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000022033270 207244758 /nfs/dbraw/zinc/24/47/58/207244758.db2.gz MFDVLMOVSSULIJ-TZRRMPRUSA-N 1 2 396.531 2.668 40 0 GFABLO CCc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609183 207256291 /nfs/dbraw/zinc/25/62/91/207256291.db2.gz IVMHWXMGOKPYMA-LJQANCHMSA-N 1 2 394.471 2.956 40 0 GFABLO CCc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609183 207256293 /nfs/dbraw/zinc/25/62/93/207256293.db2.gz IVMHWXMGOKPYMA-LJQANCHMSA-N 1 2 394.471 2.956 40 0 GFABLO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000030752850 207373993 /nfs/dbraw/zinc/37/39/93/207373993.db2.gz SQLIJWUWGOVOBX-UHFFFAOYSA-N 1 2 384.476 2.808 40 0 GFABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)n[nH]2)cc1 ZINC000072380594 208011836 /nfs/dbraw/zinc/01/18/36/208011836.db2.gz WRXORVSDRDQZJC-HXUWFJFHSA-N 1 2 384.480 2.618 40 0 GFABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)n[nH]2)cc1 ZINC000072380594 208011842 /nfs/dbraw/zinc/01/18/42/208011842.db2.gz WRXORVSDRDQZJC-HXUWFJFHSA-N 1 2 384.480 2.618 40 0 GFABLO O=C(NCCCn1cc[nH+]c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000097464771 208354615 /nfs/dbraw/zinc/35/46/15/208354615.db2.gz OMEFQENAHDFVIP-JXAWBTAJSA-N 1 2 380.473 2.922 40 0 GFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257254328 209062098 /nfs/dbraw/zinc/06/20/98/209062098.db2.gz KCPMPMKHOZZTAM-LJQANCHMSA-N 1 2 392.463 2.901 40 0 GFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257254328 209062101 /nfs/dbraw/zinc/06/21/01/209062101.db2.gz KCPMPMKHOZZTAM-LJQANCHMSA-N 1 2 392.463 2.901 40 0 GFABLO Fc1ccc(OCCc2cc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)cc1F ZINC000257269488 209063852 /nfs/dbraw/zinc/06/38/52/209063852.db2.gz MQFOQSRRRFKSKC-GOSISDBHSA-N 1 2 389.406 2.606 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccc(C)nc4)C3)n2)n1C ZINC000257267642 209064192 /nfs/dbraw/zinc/06/41/92/209064192.db2.gz MIFNACMMMLKXIT-QGZVFWFLSA-N 1 2 390.491 2.984 40 0 GFABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)nc1-c1ccccc1 ZINC000257297959 209070076 /nfs/dbraw/zinc/07/00/76/209070076.db2.gz RJMXNPISRRYYQR-JXFKEZNVSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)nc1-c1ccccc1 ZINC000257297959 209070083 /nfs/dbraw/zinc/07/00/83/209070083.db2.gz RJMXNPISRRYYQR-JXFKEZNVSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1cccc(Nc2ccc([C@@H]3CN(CC(=O)N4CCCCC4)CCO3)nc2)[nH+]1 ZINC000257302690 209071543 /nfs/dbraw/zinc/07/15/43/209071543.db2.gz SDWOZIZQAFPCMG-FQEVSTJZSA-N 1 2 395.507 2.914 40 0 GFABLO Nc1cc(-c2cncnc2[C@@H]2CCN(C(=O)CCCc3ccccn3)C2)cc[nH+]1 ZINC000257320659 209073950 /nfs/dbraw/zinc/07/39/50/209073950.db2.gz VXTYQGRDMVQXEM-QGZVFWFLSA-N 1 2 388.475 2.855 40 0 GFABLO CCSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3nc(C)cs3)C2)n1C ZINC000005001505 551096160 /nfs/dbraw/zinc/09/61/60/551096160.db2.gz STKYCRXNXBPNFX-GFCCVEGCSA-N 1 2 380.543 2.510 40 0 GFABLO CCSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3nc(C)cs3)C2)n1C ZINC000005001505 551096161 /nfs/dbraw/zinc/09/61/61/551096161.db2.gz STKYCRXNXBPNFX-GFCCVEGCSA-N 1 2 380.543 2.510 40 0 GFABLO O=S(=O)(c1ccccc1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000032797569 551131697 /nfs/dbraw/zinc/13/16/97/551131697.db2.gz ZGDCDQJSJXSVEW-UHFFFAOYSA-N 1 2 395.322 2.956 40 0 GFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000585291908 570261253 /nfs/dbraw/zinc/26/12/53/570261253.db2.gz VLIQVDFLZYSOHZ-LXXRFIIISA-N 1 2 390.451 2.809 40 0 GFABLO C[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656324 570418962 /nfs/dbraw/zinc/41/89/62/570418962.db2.gz BMTYIIPPLLHWQA-MRXNPFEDSA-N 1 2 382.460 2.781 40 0 GFABLO CCCCCCC(=O)CCCCCC/C=C\C[C@@H]1OC(=O)[C@@]([NH3+])(CO)[C@H]1O ZINC000005202877 570431133 /nfs/dbraw/zinc/43/11/33/570431133.db2.gz SWRBTIXRGZAKBN-LDZKPWTKSA-N 1 2 383.529 2.789 40 0 GFABLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223167522 570447744 /nfs/dbraw/zinc/44/77/44/570447744.db2.gz FCCXBLSRWNGKAX-RTBURBONSA-N 1 2 386.521 2.678 40 0 GFABLO COC(=O)[C@H](Cc1cn(COCc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC000008654397 570536441 /nfs/dbraw/zinc/53/64/41/570536441.db2.gz BLJLWDUWEJEOAE-KRWDZBQOSA-N 1 2 389.452 2.666 40 0 GFABLO Fc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)cc1 ZINC000035311078 570551166 /nfs/dbraw/zinc/55/11/66/570551166.db2.gz GLOICPMVDWPLAD-UHFFFAOYSA-N 1 2 385.468 2.893 40 0 GFABLO CCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(OC)cc1 ZINC000038829741 570584650 /nfs/dbraw/zinc/58/46/50/570584650.db2.gz HCWWLEKTJKHMTD-UHFFFAOYSA-N 1 2 393.491 2.663 40 0 GFABLO CCn1cc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(C)n1 ZINC000012362295 570646027 /nfs/dbraw/zinc/64/60/27/570646027.db2.gz QSFHHCSYNCGWNN-QGZVFWFLSA-N 1 2 396.944 2.980 40 0 GFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1F ZINC000261364683 570788709 /nfs/dbraw/zinc/78/87/09/570788709.db2.gz MWUFTRJWOSWFLP-GOSISDBHSA-O 1 2 383.428 2.911 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 ZINC000014607427 570893143 /nfs/dbraw/zinc/89/31/43/570893143.db2.gz DLDAEOMDHGTYPP-XJKSGUPXSA-N 1 2 378.856 2.555 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 ZINC000014607427 570893148 /nfs/dbraw/zinc/89/31/48/570893148.db2.gz DLDAEOMDHGTYPP-XJKSGUPXSA-N 1 2 378.856 2.555 40 0 GFABLO O=C(N[C@@H]1c2[nH+]ccn2CCC12CCN(C(=O)c1ccsc1)CC2)C1CC1 ZINC000585091869 570921385 /nfs/dbraw/zinc/92/13/85/570921385.db2.gz NAAQYGURCZELGR-MRXNPFEDSA-N 1 2 384.505 2.838 40 0 GFABLO Cn1cc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306143917 209108771 /nfs/dbraw/zinc/10/87/71/209108771.db2.gz YQQGNIIIDBMYAD-OAQYLSRUSA-N 1 2 387.491 2.619 40 0 GFABLO Cn1cc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306143917 209108776 /nfs/dbraw/zinc/10/87/76/209108776.db2.gz YQQGNIIIDBMYAD-OAQYLSRUSA-N 1 2 387.491 2.619 40 0 GFABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329023889 206240969 /nfs/dbraw/zinc/24/09/69/206240969.db2.gz OVYLCRXFTCQUSF-JTQLQIEISA-N 1 2 377.286 2.805 40 0 GFABLO CCNc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329041868 206242801 /nfs/dbraw/zinc/24/28/01/206242801.db2.gz SKKNOWRKGVWQLY-UHFFFAOYSA-N 1 2 378.432 2.958 40 0 GFABLO Cc1cccc(C)c1OCCO[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000027530929 206253600 /nfs/dbraw/zinc/25/36/00/206253600.db2.gz KDRYWTJLQOOGNH-QFIPXVFZSA-N 1 2 384.520 2.835 40 0 GFABLO Cc1cc(Br)cc(C)c1N1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000137101601 206278373 /nfs/dbraw/zinc/27/83/73/206278373.db2.gz RSAOXPKCAIFZMO-WDEREUQCSA-N 1 2 375.313 2.720 40 0 GFABLO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCCN(c4cccc[nH+]4)CC1)(C3)C2 ZINC000019021192 207101494 /nfs/dbraw/zinc/10/14/94/207101494.db2.gz FMHJZUBBABWOPQ-MGAZVUHYSA-N 1 2 396.535 2.595 40 0 GFABLO COc1cccc(OC)c1C[N@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019240294 207111483 /nfs/dbraw/zinc/11/14/83/207111483.db2.gz RSHBNKMCBUIRPZ-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COc1cccc(OC)c1C[N@@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019240294 207111487 /nfs/dbraw/zinc/11/14/87/207111487.db2.gz RSHBNKMCBUIRPZ-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000019289905 207112911 /nfs/dbraw/zinc/11/29/11/207112911.db2.gz CCJONEMNJPGAPT-LJQANCHMSA-N 1 2 378.480 2.537 40 0 GFABLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccnc(N2CCOCC2)n1 ZINC000019289905 207112914 /nfs/dbraw/zinc/11/29/14/207112914.db2.gz CCJONEMNJPGAPT-LJQANCHMSA-N 1 2 378.480 2.537 40 0 GFABLO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019402044 207121660 /nfs/dbraw/zinc/12/16/60/207121660.db2.gz ZOZAXSIHVPYVJG-PMACEKPBSA-N 1 2 398.551 2.939 40 0 GFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)no1 ZINC000019688739 207148581 /nfs/dbraw/zinc/14/85/81/207148581.db2.gz LXCJBPGRNJSKLA-QGZVFWFLSA-N 1 2 392.463 2.840 40 0 GFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc(-c4ccc(N)nc4)cn3)C2)no1 ZINC000019688739 207148585 /nfs/dbraw/zinc/14/85/85/207148585.db2.gz LXCJBPGRNJSKLA-QGZVFWFLSA-N 1 2 392.463 2.840 40 0 GFABLO COc1cccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588926 207140954 /nfs/dbraw/zinc/14/09/54/207140954.db2.gz OXDSVDJKPVDTOX-HXUWFJFHSA-N 1 2 380.492 2.769 40 0 GFABLO COc1cccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588926 207140960 /nfs/dbraw/zinc/14/09/60/207140960.db2.gz OXDSVDJKPVDTOX-HXUWFJFHSA-N 1 2 380.492 2.769 40 0 GFABLO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCCC[N@H+]5C)n4CC3)cc21 ZINC000019706140 207150314 /nfs/dbraw/zinc/15/03/14/207150314.db2.gz BGYSCSHRVWQVEI-LJQANCHMSA-N 1 2 392.507 2.923 40 0 GFABLO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCCC[N@@H+]5C)n4CC3)cc21 ZINC000019706140 207150316 /nfs/dbraw/zinc/15/03/16/207150316.db2.gz BGYSCSHRVWQVEI-LJQANCHMSA-N 1 2 392.507 2.923 40 0 GFABLO Cc1ccc(OCCn2c[nH+]cc2-c2cnc(N3CCOCC3)nc2)c(C)c1 ZINC000019719353 207155403 /nfs/dbraw/zinc/15/54/03/207155403.db2.gz PMXWOLLIBGTKEG-UHFFFAOYSA-N 1 2 379.464 2.873 40 0 GFABLO COc1ccc(CCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000030866697 207378390 /nfs/dbraw/zinc/37/83/90/207378390.db2.gz AKCZMWHXZOJWFZ-UHFFFAOYSA-N 1 2 384.476 2.509 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)COCc3ccccc3)C2)cc[nH+]1 ZINC000072356496 208001911 /nfs/dbraw/zinc/00/19/11/208001911.db2.gz RMCKCHXGVSIYBJ-GOSISDBHSA-N 1 2 391.475 2.977 40 0 GFABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4ccc(F)cc4)C3)OCC2=O)s1 ZINC000096051464 208255929 /nfs/dbraw/zinc/25/59/29/208255929.db2.gz GRRRWJWPVUVXMA-HXUWFJFHSA-N 1 2 390.480 2.830 40 0 GFABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4ccc(F)cc4)C3)OCC2=O)s1 ZINC000096051464 208255935 /nfs/dbraw/zinc/25/59/35/208255935.db2.gz GRRRWJWPVUVXMA-HXUWFJFHSA-N 1 2 390.480 2.830 40 0 GFABLO CC(C)CNc1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ccncn1)CC2 ZINC000096260540 208294771 /nfs/dbraw/zinc/29/47/71/208294771.db2.gz FKWYTKKUHCWTED-UHFFFAOYSA-N 1 2 394.523 2.781 40 0 GFABLO CCC(CC)C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251283 208296116 /nfs/dbraw/zinc/29/61/16/208296116.db2.gz YXKJEJLSVXFZTE-AVRDEDQJSA-N 1 2 386.540 2.651 40 0 GFABLO O=C(c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1)N1CCCC1 ZINC000096267079 208301289 /nfs/dbraw/zinc/30/12/89/208301289.db2.gz LTLPDYIJCAJREE-UHFFFAOYSA-N 1 2 387.447 2.763 40 0 GFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1cscn1 ZINC000247496512 209026866 /nfs/dbraw/zinc/02/68/66/209026866.db2.gz OJAFFWYYCXRGCC-HNNXBMFYSA-N 1 2 375.469 2.693 40 0 GFABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3ccccc3Cl)C2)C1)N1CCCC1 ZINC000247727171 209027478 /nfs/dbraw/zinc/02/74/78/209027478.db2.gz DIEKMJWGCRDWHJ-KRWDZBQOSA-N 1 2 378.900 2.712 40 0 GFABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@@H]3N(C(C)=O)CCC[C@@]32C)cn1 ZINC000257328661 209076937 /nfs/dbraw/zinc/07/69/37/209076937.db2.gz XGPOOEUXMPEWOM-AVRDEDQJSA-N 1 2 395.507 2.835 40 0 GFABLO Cc1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257327264 209077340 /nfs/dbraw/zinc/07/73/40/209077340.db2.gz XARWIOGRJIZICO-YFVAEKQCSA-N 1 2 381.480 2.592 40 0 GFABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000072350634 222237624 /nfs/dbraw/zinc/23/76/24/222237624.db2.gz UMSNGWJAWYRADZ-UHFFFAOYSA-N 1 2 376.464 2.568 40 0 GFABLO Cc1ccc2nc(C(=O)Nc3cccc(OCC[NH+]4CCOCC4)c3)cn2c1 ZINC000072392122 222249255 /nfs/dbraw/zinc/24/92/55/222249255.db2.gz IBVASLPMXFOGNB-UHFFFAOYSA-N 1 2 380.448 2.606 40 0 GFABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257230682 553153033 /nfs/dbraw/zinc/15/30/33/553153033.db2.gz GDKUPJOAKUVPSU-YOEHRIQHSA-N 1 2 381.885 2.504 40 0 GFABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc2ccc(Cl)cc2s1 ZINC000257230682 553153035 /nfs/dbraw/zinc/15/30/35/553153035.db2.gz GDKUPJOAKUVPSU-YOEHRIQHSA-N 1 2 381.885 2.504 40 0 GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cn1 ZINC000035425212 560080332 /nfs/dbraw/zinc/08/03/32/560080332.db2.gz HLIITFVCCGTCEJ-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cn1 ZINC000035425212 560080334 /nfs/dbraw/zinc/08/03/34/560080334.db2.gz HLIITFVCCGTCEJ-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)[N@H+](C)C2)cc1 ZINC000012530063 560212870 /nfs/dbraw/zinc/21/28/70/560212870.db2.gz QDQJZAYCKFXHHD-WMZOPIPTSA-N 1 2 378.432 2.920 40 0 biogenic,in-vitro GFABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)[N@@H+](C)C2)cc1 ZINC000012530063 560212871 /nfs/dbraw/zinc/21/28/71/560212871.db2.gz QDQJZAYCKFXHHD-WMZOPIPTSA-N 1 2 378.432 2.920 40 0 biogenic,in-vitro GFABLO Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c1 ZINC000020799953 570281067 /nfs/dbraw/zinc/28/10/67/570281067.db2.gz HRMMJTNUDGCJGZ-CQSZACIVSA-N 1 2 394.479 2.730 40 0 GFABLO CCc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000102332046 570288565 /nfs/dbraw/zinc/28/85/65/570288565.db2.gz IVMHWXMGOKPYMA-IBGZPJMESA-N 1 2 394.471 2.956 40 0 GFABLO CCc1ccccc1N1C(=O)C[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000102332046 570288569 /nfs/dbraw/zinc/28/85/69/570288569.db2.gz IVMHWXMGOKPYMA-IBGZPJMESA-N 1 2 394.471 2.956 40 0 GFABLO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670439 570367798 /nfs/dbraw/zinc/36/77/98/570367798.db2.gz KJYWNIJDMWPQEF-UXHICEINSA-N 1 2 384.528 2.906 40 0 GFABLO Cc1cccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000225217862 570557032 /nfs/dbraw/zinc/55/70/32/570557032.db2.gz YTXZQQHWSQROMX-UHFFFAOYSA-N 1 2 390.944 2.547 40 0 GFABLO O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000038426918 570579243 /nfs/dbraw/zinc/57/92/43/570579243.db2.gz MSDCPWKWEFJACT-UHFFFAOYSA-N 1 2 381.476 2.608 40 0 GFABLO CCn1cc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(C)n1 ZINC000012362297 570646084 /nfs/dbraw/zinc/64/60/84/570646084.db2.gz QSFHHCSYNCGWNN-KRWDZBQOSA-N 1 2 396.944 2.980 40 0 GFABLO CC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(O)(c4ccccc4F)CC3)ccc21 ZINC000057810300 570703882 /nfs/dbraw/zinc/70/38/82/570703882.db2.gz NNMOZTPCXNRCBU-UHFFFAOYSA-N 1 2 396.462 2.901 40 0 GFABLO O=C(N[C@@H]1c2[nH+]ccn2CCC12CCN(C(=O)c1cccc(F)c1)CC2)C1CC1 ZINC000585091870 570921392 /nfs/dbraw/zinc/92/13/92/570921392.db2.gz PBIGZMDWZGZTHB-GOSISDBHSA-N 1 2 396.466 2.916 40 0 GFABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)COCc2ccccc2)CC3)ccn1 ZINC000585111185 570945074 /nfs/dbraw/zinc/94/50/74/570945074.db2.gz IBSCJTAAGUQPCS-UHFFFAOYSA-N 1 2 392.459 2.555 40 0 GFABLO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306143916 209108527 /nfs/dbraw/zinc/10/85/27/209108527.db2.gz YQQGNIIIDBMYAD-NRFANRHFSA-N 1 2 387.491 2.619 40 0 GFABLO Cn1cc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cn1 ZINC000306143916 209108530 /nfs/dbraw/zinc/10/85/30/209108530.db2.gz YQQGNIIIDBMYAD-NRFANRHFSA-N 1 2 387.491 2.619 40 0 GFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@H+](Cc3cccnc3)CCN21 ZINC000253395780 206282189 /nfs/dbraw/zinc/28/21/89/206282189.db2.gz CNASCUJHZAGLDB-SFHVURJKSA-N 1 2 382.483 2.642 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@@H+](Cc3cccnc3)CCN21 ZINC000253395780 206282193 /nfs/dbraw/zinc/28/21/93/206282193.db2.gz CNASCUJHZAGLDB-SFHVURJKSA-N 1 2 382.483 2.642 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3cccnc3)CC[N@@H+]21 ZINC000253395780 206282197 /nfs/dbraw/zinc/28/21/97/206282197.db2.gz CNASCUJHZAGLDB-SFHVURJKSA-N 1 2 382.483 2.642 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(Cc3cccnc3)CC[N@H+]21 ZINC000253395780 206282202 /nfs/dbraw/zinc/28/22/02/206282202.db2.gz CNASCUJHZAGLDB-SFHVURJKSA-N 1 2 382.483 2.642 40 0 biogenic,in-vitro GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4cccs4)C[C@H]2S3(=O)=O)cn1 ZINC000306140563 209107144 /nfs/dbraw/zinc/10/71/44/209107144.db2.gz UXKZOKZJIXLHGU-IEBWSBKVSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4cccs4)C[C@H]2S3(=O)=O)cn1 ZINC000306140563 209107149 /nfs/dbraw/zinc/10/71/49/209107149.db2.gz UXKZOKZJIXLHGU-IEBWSBKVSA-N 1 2 385.514 2.904 40 0 GFABLO Cc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365935 207118049 /nfs/dbraw/zinc/11/80/49/207118049.db2.gz GPBMMKKNJWTVGV-DHIUTWEWSA-N 1 2 394.515 2.952 40 0 GFABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)n1 ZINC000019572938 207137772 /nfs/dbraw/zinc/13/77/72/207137772.db2.gz DNBZVSRIYBPITH-PXNSSMCTSA-N 1 2 396.539 2.983 40 0 GFABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)n1 ZINC000019572938 207137775 /nfs/dbraw/zinc/13/77/75/207137775.db2.gz DNBZVSRIYBPITH-PXNSSMCTSA-N 1 2 396.539 2.983 40 0 GFABLO CC(=O)N1CCC[C@@H]1c1nc(C[N@H+](C)Cc2cnc(C)s2)cc(N(C)C)n1 ZINC000019760121 207159040 /nfs/dbraw/zinc/15/90/40/207159040.db2.gz KJNILPHVMLRUCQ-QGZVFWFLSA-N 1 2 388.541 2.623 40 0 GFABLO CC(=O)N1CCC[C@@H]1c1nc(C[N@@H+](C)Cc2cnc(C)s2)cc(N(C)C)n1 ZINC000019760121 207159045 /nfs/dbraw/zinc/15/90/45/207159045.db2.gz KJNILPHVMLRUCQ-QGZVFWFLSA-N 1 2 388.541 2.623 40 0 GFABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c(C)c1 ZINC000020635690 207208751 /nfs/dbraw/zinc/20/87/51/207208751.db2.gz IYQCCGNJCVHELO-AWEZNQCLSA-N 1 2 394.479 2.730 40 0 GFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072378597 208009158 /nfs/dbraw/zinc/00/91/58/208009158.db2.gz CVMWTJFQTHHBII-GOSISDBHSA-N 1 2 377.448 2.967 40 0 GFABLO Cc1ccc[nH+]c1Nc1ccc(C2CCN(S(=O)(=O)N(C)C)CC2)nc1 ZINC000072374201 208009920 /nfs/dbraw/zinc/00/99/20/208009920.db2.gz OBLMWFYSFPEAAH-UHFFFAOYSA-N 1 2 375.498 2.514 40 0 GFABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1ccncc1)N(Cc1cccnc1)CC2 ZINC000096147246 208273031 /nfs/dbraw/zinc/27/30/31/208273031.db2.gz MXAUFGQWFCZHNV-OAQYLSRUSA-N 1 2 390.491 2.670 40 0 GFABLO O=C(c1ccc(F)c(F)c1)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096259683 208294626 /nfs/dbraw/zinc/29/46/26/208294626.db2.gz DMFGTIUAUXWSEP-UHFFFAOYSA-N 1 2 375.423 2.588 40 0 GFABLO Cn1c[nH+]c2c1[C@@H](C(=O)NCc1cccs1)N(C(=O)c1ccccc1)CC2 ZINC000096264980 208297947 /nfs/dbraw/zinc/29/79/47/208297947.db2.gz BJUVQISNDUSTAJ-SFHVURJKSA-N 1 2 380.473 2.538 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306141171 209105692 /nfs/dbraw/zinc/10/56/92/209105692.db2.gz VMZDFMXSEUMCGU-UYAOXDASSA-N 1 2 383.473 2.918 40 0 GFABLO CCn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccoc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306141171 209105696 /nfs/dbraw/zinc/10/56/96/209105696.db2.gz VMZDFMXSEUMCGU-UYAOXDASSA-N 1 2 383.473 2.918 40 0 GFABLO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000004909605 208546920 /nfs/dbraw/zinc/54/69/20/208546920.db2.gz CKXZNOOLOSOVGG-UHFFFAOYSA-N 1 2 395.459 2.557 40 0 GFABLO O=C(C1CC1)N1CC[N@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306138061 209103584 /nfs/dbraw/zinc/10/35/84/209103584.db2.gz ROAXHXSSZTVNDX-FQEVSTJZSA-N 1 2 393.535 2.940 40 0 GFABLO O=C(C1CC1)N1CC[N@@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306138061 209103586 /nfs/dbraw/zinc/10/35/86/209103586.db2.gz ROAXHXSSZTVNDX-FQEVSTJZSA-N 1 2 393.535 2.940 40 0 GFABLO Cc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)oc1C ZINC000096254150 136185969 /nfs/dbraw/zinc/18/59/69/136185969.db2.gz QRMKIHUTJIKWNC-UHFFFAOYSA-N 1 2 383.496 2.656 40 0 GFABLO Cc1cc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)oc1C ZINC000096254150 136185970 /nfs/dbraw/zinc/18/59/70/136185970.db2.gz QRMKIHUTJIKWNC-UHFFFAOYSA-N 1 2 383.496 2.656 40 0 GFABLO Cc1cc(CN2CCc3[nH+]c(N4CCOCC4)nc(NC4CC4)c3C2)oc1C ZINC000096254150 136185971 /nfs/dbraw/zinc/18/59/71/136185971.db2.gz QRMKIHUTJIKWNC-UHFFFAOYSA-N 1 2 383.496 2.656 40 0 GFABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)n2)cc1 ZINC000257324695 209076856 /nfs/dbraw/zinc/07/68/56/209076856.db2.gz WPSXASLILUKVKS-PXNSSMCTSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)n2)cc1 ZINC000257324695 209076861 /nfs/dbraw/zinc/07/68/61/209076861.db2.gz WPSXASLILUKVKS-PXNSSMCTSA-N 1 2 387.505 2.673 40 0 GFABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000072350636 222238385 /nfs/dbraw/zinc/23/83/85/222238385.db2.gz JCRHBNHCNWTDNX-KRWDZBQOSA-N 1 2 376.464 2.568 40 0 GFABLO CCn1c(CNc2cccc(Cl)c2)nnc1SCC[NH+]1CCOCC1 ZINC000019822865 551114284 /nfs/dbraw/zinc/11/42/84/551114284.db2.gz SUGLVMMTIZYLEB-UHFFFAOYSA-N 1 2 381.933 2.988 40 0 GFABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)c1 ZINC000035425304 560080037 /nfs/dbraw/zinc/08/00/37/560080037.db2.gz JKYXBNWQLLGFCG-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO c1cncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)c1 ZINC000035425304 560080038 /nfs/dbraw/zinc/08/00/38/560080038.db2.gz JKYXBNWQLLGFCG-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)n1 ZINC000585291919 570261267 /nfs/dbraw/zinc/26/12/67/570261267.db2.gz VPNRVGRVSQDKCF-YWVDXFKGSA-N 1 2 381.465 2.738 40 0 GFABLO NC(=O)C1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2ccccc2F)CC1 ZINC000057669526 570366853 /nfs/dbraw/zinc/36/68/53/570366853.db2.gz ZCUKVPHNRUPRLG-SFHVURJKSA-N 1 2 386.475 2.604 40 0 GFABLO CCCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670061 570367536 /nfs/dbraw/zinc/36/75/36/570367536.db2.gz WCFAVVLIPPDRJN-SFHVURJKSA-N 1 2 376.480 2.512 40 0 GFABLO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670437 570367840 /nfs/dbraw/zinc/36/78/40/570367840.db2.gz KJYWNIJDMWPQEF-PMACEKPBSA-N 1 2 384.528 2.906 40 0 GFABLO C[C@@H]1C[N@H+](Cc2ccccc2F)CCN1CC(=O)Nc1cccc2nsnc21 ZINC000057731765 570371709 /nfs/dbraw/zinc/37/17/09/570371709.db2.gz KLGIABQODKDVPQ-CQSZACIVSA-N 1 2 399.495 2.975 40 0 GFABLO C[C@@H]1C[N@@H+](Cc2ccccc2F)CCN1CC(=O)Nc1cccc2nsnc21 ZINC000057731765 570371712 /nfs/dbraw/zinc/37/17/12/570371712.db2.gz KLGIABQODKDVPQ-CQSZACIVSA-N 1 2 399.495 2.975 40 0 GFABLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223167680 570447803 /nfs/dbraw/zinc/44/78/03/570447803.db2.gz FCCXBLSRWNGKAX-OALUTQOASA-N 1 2 386.521 2.678 40 0 GFABLO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225635291 570596781 /nfs/dbraw/zinc/59/67/81/570596781.db2.gz OSBUCMGWVPKRSY-UWJYYQICSA-N 1 2 376.497 2.931 40 0 GFABLO CSc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)C(C)C ZINC000225775529 570615823 /nfs/dbraw/zinc/61/58/23/570615823.db2.gz XTLNTTOIPUHJTL-UHFFFAOYSA-N 1 2 396.538 2.568 40 0 GFABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(OC)c1O ZINC000261362398 570787966 /nfs/dbraw/zinc/78/79/66/570787966.db2.gz JJDFJJWLUSAYKW-KRWDZBQOSA-O 1 2 399.452 2.554 40 0 GFABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccnc1 ZINC000261365010 570788497 /nfs/dbraw/zinc/78/84/97/570788497.db2.gz PIXTXTKWTAYCRA-LJQANCHMSA-O 1 2 394.480 2.947 40 0 GFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccn1C ZINC000261364824 570788595 /nfs/dbraw/zinc/78/85/95/570788595.db2.gz NYQUVJILDJAMKJ-SFHVURJKSA-O 1 2 382.469 2.501 40 0 GFABLO Cc1cc2nc(C3CCN(C(=O)Cn4cc[nH+]c4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340818 570881096 /nfs/dbraw/zinc/88/10/96/570881096.db2.gz WHRDLNAEJDZGDW-UHFFFAOYSA-N 1 2 392.385 2.659 40 0 GFABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCCc3cccs3)C2)c1 ZINC000585096224 570923008 /nfs/dbraw/zinc/92/30/08/570923008.db2.gz ZONWKYXNKVVAPH-LJQANCHMSA-N 1 2 394.500 2.809 40 0 GFABLO O=C1C[C@]2(CN1Cc1cncs1)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585103908 570929664 /nfs/dbraw/zinc/92/96/64/570929664.db2.gz VYAFQTQQGCVGDB-IBGZPJMESA-N 1 2 393.459 2.672 40 0 GFABLO O=C1C[C@]2(CN1Cc1cncs1)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585103908 570929665 /nfs/dbraw/zinc/92/96/65/570929665.db2.gz VYAFQTQQGCVGDB-IBGZPJMESA-N 1 2 393.459 2.672 40 0 GFABLO CCOC(=O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000019530184 210258422 /nfs/dbraw/zinc/25/84/22/210258422.db2.gz LJHNIFMNGCXNAP-GOSISDBHSA-N 1 2 390.455 2.943 40 0 GFABLO CCn1c(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)nc2ccccc21 ZINC000019524312 210256121 /nfs/dbraw/zinc/25/61/21/210256121.db2.gz ZJBZQHBLOQXBQY-UHFFFAOYSA-N 1 2 392.507 2.688 40 0 GFABLO CCn1c(C[N@H+]2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)nc2ccccc21 ZINC000019524312 210256125 /nfs/dbraw/zinc/25/61/25/210256125.db2.gz ZJBZQHBLOQXBQY-UHFFFAOYSA-N 1 2 392.507 2.688 40 0 GFABLO CC(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019085498 210225162 /nfs/dbraw/zinc/22/51/62/210225162.db2.gz KLHYINAYEFVPMI-OAHLLOKOSA-N 1 2 385.512 2.563 40 0 GFABLO CC(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019085498 210225166 /nfs/dbraw/zinc/22/51/66/210225166.db2.gz KLHYINAYEFVPMI-OAHLLOKOSA-N 1 2 385.512 2.563 40 0 GFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCC3)cc2c1 ZINC000000782693 209191058 /nfs/dbraw/zinc/19/10/58/209191058.db2.gz RLZMTSDPSCPAPV-SFHVURJKSA-N 1 2 396.495 2.854 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4cccs4)C[C@H]2S3(=O)=O)cn1 ZINC000306140565 212052805 /nfs/dbraw/zinc/05/28/05/212052805.db2.gz UXKZOKZJIXLHGU-PKOBYXMFSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4cccs4)C[C@H]2S3(=O)=O)cn1 ZINC000306140565 212052808 /nfs/dbraw/zinc/05/28/08/212052808.db2.gz UXKZOKZJIXLHGU-PKOBYXMFSA-N 1 2 385.514 2.904 40 0 GFABLO CN1CCN(C(=O)c2ccco2)C[C@@H]1c1cn2c(cccc2N2CCCC2)[nH+]1 ZINC000306134264 212051230 /nfs/dbraw/zinc/05/12/30/212051230.db2.gz NHGVUAVUKLITCH-QGZVFWFLSA-N 1 2 379.464 2.656 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306133495 212049984 /nfs/dbraw/zinc/04/99/84/212049984.db2.gz MNHBXLLTYBFMPY-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306133495 212049986 /nfs/dbraw/zinc/04/99/86/212049986.db2.gz MNHBXLLTYBFMPY-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1C ZINC000257315819 212024254 /nfs/dbraw/zinc/02/42/54/212024254.db2.gz VCXBPQGPMPWMGE-MRXNPFEDSA-N 1 2 376.464 2.675 40 0 GFABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C ZINC000257289990 212018119 /nfs/dbraw/zinc/01/81/19/212018119.db2.gz QBAHPSWQFQCXIK-KRWDZBQOSA-N 1 2 378.480 2.619 40 0 GFABLO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c(O)c(CN3CCOCC3)coc1=O)C2 ZINC000101342481 211398381 /nfs/dbraw/zinc/39/83/81/211398381.db2.gz PVTHFWUNDRMVNH-KKSFZXQISA-N 1 2 376.497 2.578 40 0 GFABLO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c(O)c(CN3CCOCC3)coc1=O)C2 ZINC000101342481 211398383 /nfs/dbraw/zinc/39/83/83/211398383.db2.gz PVTHFWUNDRMVNH-KKSFZXQISA-N 1 2 376.497 2.578 40 0 GFABLO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCOCC3)coc1=O)C2 ZINC000101342481 211398385 /nfs/dbraw/zinc/39/83/85/211398385.db2.gz PVTHFWUNDRMVNH-KKSFZXQISA-N 1 2 376.497 2.578 40 0 GFABLO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCOCC3)coc1=O)C2 ZINC000101342481 211398389 /nfs/dbraw/zinc/39/83/89/211398389.db2.gz PVTHFWUNDRMVNH-KKSFZXQISA-N 1 2 376.497 2.578 40 0 GFABLO CCc1cnc(N2CCc3cc(C(=O)N(C)C)c(NCC4CC4)[nH+]c3CC2)nc1 ZINC000096260576 211327193 /nfs/dbraw/zinc/32/71/93/211327193.db2.gz KZPZTCUDHFGKFV-UHFFFAOYSA-N 1 2 394.523 2.563 40 0 GFABLO COc1cccc(C(=O)N2CC[C@@H](C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)C2)c1 ZINC000072392175 211110232 /nfs/dbraw/zinc/11/02/32/211110232.db2.gz OSXSIVIIPPEYHF-OAHLLOKOSA-N 1 2 378.432 2.981 40 0 GFABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@H+](CC(=O)NC(C)(C)C)CC1 ZINC000072348315 211095145 /nfs/dbraw/zinc/09/51/45/211095145.db2.gz RIUAKLOKACSSHF-UHFFFAOYSA-N 1 2 388.899 2.820 40 0 GFABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@@H+](CC(=O)NC(C)(C)C)CC1 ZINC000072348315 211095149 /nfs/dbraw/zinc/09/51/49/211095149.db2.gz RIUAKLOKACSSHF-UHFFFAOYSA-N 1 2 388.899 2.820 40 0 GFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cccc(CN2CCOCC2)c1 ZINC000020490521 210341662 /nfs/dbraw/zinc/34/16/62/210341662.db2.gz RHFGICLTJTWCCD-UHFFFAOYSA-N 1 2 376.460 2.635 40 0 GFABLO CNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020478162 210340347 /nfs/dbraw/zinc/34/03/47/210340347.db2.gz MZVRLZSUICFTKF-UHFFFAOYSA-N 1 2 379.508 2.996 40 0 GFABLO Cc1cc(CCCC(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)ccc1F ZINC000019711265 210285293 /nfs/dbraw/zinc/28/52/93/210285293.db2.gz LIHHKSHARUWTRU-UHFFFAOYSA-N 1 2 385.487 2.558 40 0 GFABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CCCc1ccc(F)cc1)CC2 ZINC000019706468 210284242 /nfs/dbraw/zinc/28/42/42/210284242.db2.gz CLSIHEFRTWHKKC-LJQANCHMSA-N 1 2 399.514 2.982 40 0 GFABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CCCc1ccc(F)cc1)CC2 ZINC000019706468 210284245 /nfs/dbraw/zinc/28/42/45/210284245.db2.gz CLSIHEFRTWHKKC-LJQANCHMSA-N 1 2 399.514 2.982 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1coc3ccccc3c1=O)CC2 ZINC000012122396 221155080 /nfs/dbraw/zinc/15/50/80/221155080.db2.gz LLXGRFWAEZYHHT-UHFFFAOYSA-N 1 2 386.411 2.909 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1coc3ccccc3c1=O)CC2 ZINC000012122396 221155081 /nfs/dbraw/zinc/15/50/81/221155081.db2.gz LLXGRFWAEZYHHT-UHFFFAOYSA-N 1 2 386.411 2.909 40 0 GFABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)ccn1 ZINC000035424559 560081105 /nfs/dbraw/zinc/08/11/05/560081105.db2.gz LLGPPNZCKBYTLL-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)ccn1 ZINC000035424559 560081106 /nfs/dbraw/zinc/08/11/06/560081106.db2.gz LLGPPNZCKBYTLL-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022402142 570316395 /nfs/dbraw/zinc/31/63/95/570316395.db2.gz OJPXLTGCBKLZFX-UHFFFAOYSA-N 1 2 399.516 2.719 40 0 GFABLO Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022402143 570316442 /nfs/dbraw/zinc/31/64/42/570316442.db2.gz BPIMCPLXJYAZFD-UHFFFAOYSA-N 1 2 399.516 2.719 40 0 GFABLO Clc1cc2c(cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1)OCO2 ZINC000022931409 570379468 /nfs/dbraw/zinc/37/94/68/570379468.db2.gz ATEKDPJYBMLALR-UHFFFAOYSA-N 1 2 389.883 2.798 40 0 GFABLO CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149722 570447154 /nfs/dbraw/zinc/44/71/54/570447154.db2.gz OJXYCXAAXXSPCN-VQTJNVASSA-N 1 2 399.564 2.769 40 0 GFABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000006344042 570477313 /nfs/dbraw/zinc/47/73/13/570477313.db2.gz GMTQUPLCNPNNBD-YRXWBPOGSA-N 1 2 378.403 2.661 40 0 GFABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000006344042 570477314 /nfs/dbraw/zinc/47/73/14/570477314.db2.gz GMTQUPLCNPNNBD-YRXWBPOGSA-N 1 2 378.403 2.661 40 0 GFABLO CCCCCCC(=O)CCCCCC/C=C/C[C@H]1OC(=O)[C@@]([NH3+])(CO)[C@H]1O ZINC000033913341 570530389 /nfs/dbraw/zinc/53/03/89/570530389.db2.gz SWRBTIXRGZAKBN-PJMUWQDTSA-N 1 2 383.529 2.789 40 0 GFABLO COCC(=O)N1CCn2c([nH+]c(-c3ccc(N(C)C)cc3)c2NC(C)(C)C)C1 ZINC000012116009 570611138 /nfs/dbraw/zinc/61/11/38/570611138.db2.gz OSJCNWGMKSYCOR-UHFFFAOYSA-N 1 2 385.512 2.815 40 0 GFABLO COc1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187189 570621413 /nfs/dbraw/zinc/62/14/13/570621413.db2.gz AJPDMBACEVKTNU-IBGZPJMESA-N 1 2 386.496 2.741 40 0 GFABLO COc1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187189 570621415 /nfs/dbraw/zinc/62/14/15/570621415.db2.gz AJPDMBACEVKTNU-IBGZPJMESA-N 1 2 386.496 2.741 40 0 GFABLO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000245053424 570698739 /nfs/dbraw/zinc/69/87/39/570698739.db2.gz OTURHGSBSIFMOE-MRXNPFEDSA-N 1 2 386.473 2.928 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000019237028 570924185 /nfs/dbraw/zinc/92/41/85/570924185.db2.gz UVNKWBCKIUPKEV-KCXPTXFHSA-N 1 2 396.418 2.516 40 0 GFABLO CCn1cc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)cn1 ZINC000019525015 210256867 /nfs/dbraw/zinc/25/68/67/210256867.db2.gz AALMLUZETBHMGY-UHFFFAOYSA-N 1 2 393.538 2.797 40 0 GFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019344273 210241174 /nfs/dbraw/zinc/24/11/74/210241174.db2.gz FASMSMOJLHIYSN-HNNXBMFYSA-N 1 2 397.504 2.881 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CC3CCCCC3)cc2)CC1 ZINC000016740357 210195423 /nfs/dbraw/zinc/19/54/23/210195423.db2.gz GJFFKTQSCYFPGI-UHFFFAOYSA-N 1 2 379.526 2.532 40 0 GFABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)NC(C)C)n2)cc1 ZINC000015675991 291122112 /nfs/dbraw/zinc/12/21/12/291122112.db2.gz CGAOPTBATOPMRQ-INIZCTEOSA-N 1 2 382.424 2.686 40 0 biogenic,in-vitro GFABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)NC(C)C)n2)cc1 ZINC000015675991 291122116 /nfs/dbraw/zinc/12/21/16/291122116.db2.gz CGAOPTBATOPMRQ-INIZCTEOSA-N 1 2 382.424 2.686 40 0 biogenic,in-vitro GFABLO Cc1ccccc1C[NH2+]Cc1nnn2c1C(=O)N(CCc1ccccc1)CC2 ZINC000306138705 212052604 /nfs/dbraw/zinc/05/26/04/212052604.db2.gz SETYPKXQCAMJMD-UHFFFAOYSA-N 1 2 375.476 2.575 40 0 GFABLO Cc1nnc(N2CC[NH+](CCF)CC2)c2ccc(C(=O)N3CCC(C)CC3)cc12 ZINC000306137182 212051339 /nfs/dbraw/zinc/05/13/39/212051339.db2.gz QNZNIVJVWNRASK-UHFFFAOYSA-N 1 2 399.514 2.902 40 0 GFABLO Clc1ccccc1OCCc1cc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)[nH]n1 ZINC000257340467 212027507 /nfs/dbraw/zinc/02/75/07/212027507.db2.gz ZGGNUJINTZEQRC-GOSISDBHSA-N 1 2 387.871 2.981 40 0 GFABLO Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257205168 212003839 /nfs/dbraw/zinc/00/38/39/212003839.db2.gz AXXQLSNBIZSNFH-KCZVDYSFSA-N 1 2 395.507 2.935 40 0 GFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1OC ZINC000328976256 209154875 /nfs/dbraw/zinc/15/48/75/209154875.db2.gz FNNWMEOVVHYSTD-UHFFFAOYSA-N 1 2 380.448 2.543 40 0 GFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1cccs1)CCC2 ZINC000096251248 211324474 /nfs/dbraw/zinc/32/44/74/211324474.db2.gz PAUFMCKXZYNDMV-KKSFZXQISA-N 1 2 398.532 2.590 40 0 GFABLO O=C(C[N@@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1)N1CCCC1 ZINC000019703667 210284596 /nfs/dbraw/zinc/28/45/96/210284596.db2.gz JTQAYQCWUHAZKL-IBGZPJMESA-N 1 2 386.471 2.930 40 0 GFABLO O=C(C[N@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1)N1CCCC1 ZINC000019703667 210284591 /nfs/dbraw/zinc/28/45/91/210284591.db2.gz JTQAYQCWUHAZKL-IBGZPJMESA-N 1 2 386.471 2.930 40 0 GFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)no1 ZINC000012118600 221152775 /nfs/dbraw/zinc/15/27/75/221152775.db2.gz MJJBVGXJAOZUKN-KRWDZBQOSA-N 1 2 392.463 2.962 40 0 GFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)no1 ZINC000012118600 221152779 /nfs/dbraw/zinc/15/27/79/221152779.db2.gz MJJBVGXJAOZUKN-KRWDZBQOSA-N 1 2 392.463 2.962 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2Cl)C3)C[C@@H](C)O1 ZINC000072347254 136168805 /nfs/dbraw/zinc/16/88/05/136168805.db2.gz AHUSHPGMICLJSZ-ZIAGYGMSSA-N 1 2 388.899 2.595 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2Cl)C3)C[C@@H](C)O1 ZINC000072347254 136168806 /nfs/dbraw/zinc/16/88/06/136168806.db2.gz AHUSHPGMICLJSZ-ZIAGYGMSSA-N 1 2 388.899 2.595 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)CC1 ZINC000054363470 551168811 /nfs/dbraw/zinc/16/88/11/551168811.db2.gz RETUZNYQAKHDRS-UHFFFAOYSA-N 1 2 388.114 2.692 40 0 GFABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)[N@H+](C)C2)c1 ZINC000030879481 560090045 /nfs/dbraw/zinc/09/00/45/560090045.db2.gz YDEUJAZPFZWCJU-YOEHRIQHSA-N 1 2 394.435 2.707 40 0 biogenic,in-vitro GFABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(-c4ccccn4)no3)[N@@H+](C)C2)c1 ZINC000030879481 560090046 /nfs/dbraw/zinc/09/00/46/560090046.db2.gz YDEUJAZPFZWCJU-YOEHRIQHSA-N 1 2 394.435 2.707 40 0 biogenic,in-vitro GFABLO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000030868071 570499873 /nfs/dbraw/zinc/49/98/73/570499873.db2.gz HJVMFJVNVXFJCP-UHFFFAOYSA-N 1 2 384.461 2.564 40 0 GFABLO COc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000030868617 570500217 /nfs/dbraw/zinc/50/02/17/570500217.db2.gz ITFHQYOSULEULZ-MRXNPFEDSA-N 1 2 398.459 2.536 40 0 GFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Cl)cc(Oc2ccccc2)n1 ZINC000225906122 570632102 /nfs/dbraw/zinc/63/21/02/570632102.db2.gz ZXNFGLNSPFUEJX-UHFFFAOYSA-N 1 2 393.900 2.541 40 0 GFABLO COc1ccc(CN(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000044886393 570639094 /nfs/dbraw/zinc/63/90/94/570639094.db2.gz NQJOZVDENWQEBD-UHFFFAOYSA-N 1 2 384.476 2.808 40 0 GFABLO COc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044908699 570642148 /nfs/dbraw/zinc/64/21/48/570642148.db2.gz STEUOTINNHWBCF-QGZVFWFLSA-N 1 2 384.476 2.725 40 0 GFABLO CCCN1CC[N@H+](CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183630 571000564 /nfs/dbraw/zinc/00/05/64/571000564.db2.gz UEIVBXRJRRBYBJ-QFIPXVFZSA-N 1 2 393.531 2.813 40 0 GFABLO CCCN1CC[N@@H+](CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183630 571000567 /nfs/dbraw/zinc/00/05/67/571000567.db2.gz UEIVBXRJRRBYBJ-QFIPXVFZSA-N 1 2 393.531 2.813 40 0 GFABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000019706152 571031940 /nfs/dbraw/zinc/03/19/40/571031940.db2.gz FSLSYYIVWDLYAG-GOSISDBHSA-N 1 2 390.491 2.682 40 0 GFABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000019706152 571031942 /nfs/dbraw/zinc/03/19/42/571031942.db2.gz FSLSYYIVWDLYAG-GOSISDBHSA-N 1 2 390.491 2.682 40 0 GFABLO Cn1nc(-c2ccc(CNC(=O)c3[nH]nc4c3CCCC4)cc2)cc1C[NH+](C)C ZINC000019288883 210238139 /nfs/dbraw/zinc/23/81/39/210238139.db2.gz GWHJHHGQUISWLL-UHFFFAOYSA-N 1 2 392.507 2.681 40 0 GFABLO C[C@@H](NNC(=S)N1CCN(c2cccc[nH+]2)CC1)c1nccc2ccccc21 ZINC000001582545 209333908 /nfs/dbraw/zinc/33/39/08/209333908.db2.gz KLYOLLLMOLFUSQ-MRXNPFEDSA-N 1 2 392.532 2.892 40 0 GFABLO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000011095314 209190973 /nfs/dbraw/zinc/19/09/73/209190973.db2.gz FOSGBYDLIFOZJN-UHFFFAOYSA-N 1 2 397.475 2.537 40 0 GFABLO Cc1cc(Br)cc(C)c1N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000016741202 209182077 /nfs/dbraw/zinc/18/20/77/209182077.db2.gz RSAOXPKCAIFZMO-QWRGUYRKSA-N 1 2 375.313 2.720 40 0 GFABLO Cc1noc(C)c1-c1cnc(CC[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)cn1 ZINC000257318034 212024286 /nfs/dbraw/zinc/02/42/86/212024286.db2.gz VMFHJDGIDSICDW-GOSISDBHSA-N 1 2 394.479 2.959 40 0 GFABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)Cc3cccnc3)CC2)n1C ZINC000257318899 212024190 /nfs/dbraw/zinc/02/41/90/212024190.db2.gz VPWSTCYUGGRFTB-UHFFFAOYSA-N 1 2 376.464 2.529 40 0 GFABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257312021 212022284 /nfs/dbraw/zinc/02/22/84/212022284.db2.gz UMCXJQVUYMKIOV-BPLDGKMQSA-N 1 2 393.369 2.663 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1OC ZINC000257277134 212016426 /nfs/dbraw/zinc/01/64/26/212016426.db2.gz NWONYBMCOOMELV-UTKZUKDTSA-N 1 2 396.491 2.618 40 0 GFABLO CNc1nc([C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000257278296 212015839 /nfs/dbraw/zinc/01/58/39/212015839.db2.gz OBRMQZARIBZQBH-GOSISDBHSA-N 1 2 393.535 2.682 40 0 GFABLO CNc1nc([C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257278296 212015844 /nfs/dbraw/zinc/01/58/44/212015844.db2.gz OBRMQZARIBZQBH-GOSISDBHSA-N 1 2 393.535 2.682 40 0 GFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@]2(C[C@@H](Oc3ccc(Cl)cc3)CO2)C1 ZINC000257247667 212010559 /nfs/dbraw/zinc/01/05/59/212010559.db2.gz IZZTYJCCGCGXHG-IEBWSBKVSA-N 1 2 375.856 2.766 40 0 GFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257229146 212007642 /nfs/dbraw/zinc/00/76/42/212007642.db2.gz FWVMMEPKUFECOE-UGKGYDQZSA-N 1 2 379.460 2.616 40 0 GFABLO Cc1cc(C)nc(N2CCC(CC(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)CC2)n1 ZINC000019748759 210293233 /nfs/dbraw/zinc/29/32/33/210293233.db2.gz BLDFXGKTZXVNPH-LJQANCHMSA-N 1 2 382.512 2.701 40 0 GFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCc2nc(-c3cncnc3)sc2C1 ZINC000019719865 210288847 /nfs/dbraw/zinc/28/88/47/210288847.db2.gz CWPXVPPWOMAOPW-UHFFFAOYSA-N 1 2 390.472 2.684 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)cc1O ZINC000072347333 136169062 /nfs/dbraw/zinc/16/90/62/136169062.db2.gz LZPBZYCMUQKGQQ-AWEZNQCLSA-N 1 2 384.480 2.691 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)cc1O ZINC000072347333 136169063 /nfs/dbraw/zinc/16/90/63/136169063.db2.gz LZPBZYCMUQKGQQ-AWEZNQCLSA-N 1 2 384.480 2.691 40 0 GFABLO c1cncc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1 ZINC000035424619 560080867 /nfs/dbraw/zinc/08/08/67/560080867.db2.gz NLCIRKDYMLQAKJ-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO c1cncc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)c1 ZINC000035424619 560080868 /nfs/dbraw/zinc/08/08/68/560080868.db2.gz NLCIRKDYMLQAKJ-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529805 560212670 /nfs/dbraw/zinc/21/26/70/560212670.db2.gz WGAFTZYPBYVWBZ-HOCLYGCPSA-N 1 2 383.839 2.960 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)c2ccccn2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529805 560212674 /nfs/dbraw/zinc/21/26/74/560212674.db2.gz WGAFTZYPBYVWBZ-HOCLYGCPSA-N 1 2 383.839 2.960 40 0 biogenic,in-vitro GFABLO O=C(CN1CC[NH+](Cc2ccccc2F)CC1)Nc1ccnn1C1CCCC1 ZINC000022790252 570328376 /nfs/dbraw/zinc/32/83/76/570328376.db2.gz XTEIGSMMBUYZTF-UHFFFAOYSA-N 1 2 385.487 2.894 40 0 GFABLO O=C(C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1 ZINC000004908152 570417023 /nfs/dbraw/zinc/41/70/23/570417023.db2.gz JBUDETLIPALPHD-ALOPSCKCSA-N 1 2 384.505 2.897 40 0 GFABLO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2)Nc1nccs1 ZINC000004908152 570417027 /nfs/dbraw/zinc/41/70/27/570417027.db2.gz JBUDETLIPALPHD-ALOPSCKCSA-N 1 2 384.505 2.897 40 0 GFABLO COc1cccc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000027233039 570494355 /nfs/dbraw/zinc/49/43/55/570494355.db2.gz PCDFWLSXOCGNLX-KRWDZBQOSA-O 1 2 383.453 2.848 40 0 GFABLO O=C(CO[C@@H]1CCOC2(C[NH+](Cc3cccc(Cl)c3)C2)C1)N1CCCC1 ZINC000247723688 570715639 /nfs/dbraw/zinc/71/56/39/570715639.db2.gz BDMVUMJVMJRXLA-GOSISDBHSA-N 1 2 378.900 2.712 40 0 GFABLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019237092 210234856 /nfs/dbraw/zinc/23/48/56/210234856.db2.gz MYWZDYJTLHSPOJ-UHFFFAOYSA-N 1 2 389.503 2.677 40 0 GFABLO COc1cccc(C[N@@H+]2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)c1 ZINC000019016878 210222518 /nfs/dbraw/zinc/22/25/18/210222518.db2.gz MLOIIKBBPATVPM-UHFFFAOYSA-N 1 2 380.492 2.769 40 0 GFABLO COc1cccc(C[N@H+]2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)c1 ZINC000019016878 210222519 /nfs/dbraw/zinc/22/25/19/210222519.db2.gz MLOIIKBBPATVPM-UHFFFAOYSA-N 1 2 380.492 2.769 40 0 GFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000229942872 209189694 /nfs/dbraw/zinc/18/96/94/209189694.db2.gz MOQSAHOVJOVCIP-FZONSQQESA-N 1 2 392.455 2.767 40 0 GFABLO Brc1cnn(Cc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)c1 ZINC000006448096 212070606 /nfs/dbraw/zinc/07/06/06/212070606.db2.gz SOHKHEROMBZEQU-UHFFFAOYSA-N 1 2 395.224 2.675 40 0 GFABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3ccncc3)CC2)n1C ZINC000257272214 212015006 /nfs/dbraw/zinc/01/50/06/212015006.db2.gz NBMFDCVTPOSHQB-UHFFFAOYSA-N 1 2 376.464 2.675 40 0 GFABLO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](CC(N)=O)[C@H]1CCCCC(=O)N2 ZINC000257256445 212012620 /nfs/dbraw/zinc/01/26/20/212012620.db2.gz KLMXYOUPABIUHD-MPGHIAIKSA-N 1 2 383.414 2.755 40 0 GFABLO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](CC(N)=O)[C@H]1CCCCC(=O)N2 ZINC000257256445 212012623 /nfs/dbraw/zinc/01/26/23/212012623.db2.gz KLMXYOUPABIUHD-MPGHIAIKSA-N 1 2 383.414 2.755 40 0 GFABLO Cc1nonc1COc1ccccc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257216213 212005021 /nfs/dbraw/zinc/00/50/21/212005021.db2.gz CTORGAUCDYFWGI-INIZCTEOSA-N 1 2 393.447 2.751 40 0 GFABLO O=C(c1cc2c([nH+]c1NCC1CC1)CCN(c1ncccn1)CC2)N1CCCC1 ZINC000096260612 211326725 /nfs/dbraw/zinc/32/67/25/211326725.db2.gz FIUBVWHYQHZFJB-UHFFFAOYSA-N 1 2 392.507 2.535 40 0 GFABLO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 ZINC000096225716 211319072 /nfs/dbraw/zinc/31/90/72/211319072.db2.gz GZOAZYFVOXEUOU-QRQCRPRQSA-N 1 2 396.491 2.932 40 0 GFABLO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 ZINC000096225716 211319077 /nfs/dbraw/zinc/31/90/77/211319077.db2.gz GZOAZYFVOXEUOU-QRQCRPRQSA-N 1 2 396.491 2.932 40 0 GFABLO O=S(=O)(c1cccs1)N1CCC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222968 211319623 /nfs/dbraw/zinc/31/96/23/211319623.db2.gz DGIAZYMLHMQBBF-WMLDXEAASA-N 1 2 379.507 2.567 40 0 GFABLO O=c1cccc2n1[C@@H]1C[C@H](C2)C[N@@H+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000072389685 211106956 /nfs/dbraw/zinc/10/69/56/211106956.db2.gz NCMAVXWCCOAJGL-GXTWGEPZSA-N 1 2 383.839 2.566 40 0 GFABLO O=c1cccc2n1[C@@H]1C[C@H](C2)C[N@H+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000072389685 211106959 /nfs/dbraw/zinc/10/69/59/211106959.db2.gz NCMAVXWCCOAJGL-GXTWGEPZSA-N 1 2 383.839 2.566 40 0 GFABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1 ZINC000072353225 211097800 /nfs/dbraw/zinc/09/78/00/211097800.db2.gz MTIIFWOXRFRNKE-QGZVFWFLSA-N 1 2 398.492 2.788 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCCC[N@H+]4C)n3CC1)CCCC2 ZINC000019706448 210284676 /nfs/dbraw/zinc/28/46/76/210284676.db2.gz RHYRJPLGNBDBQM-KRWDZBQOSA-N 1 2 397.523 2.914 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCCC[N@@H+]4C)n3CC1)CCCC2 ZINC000019706448 210284681 /nfs/dbraw/zinc/28/46/81/210284681.db2.gz RHYRJPLGNBDBQM-KRWDZBQOSA-N 1 2 397.523 2.914 40 0 GFABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CCCCC3)no1)CC2 ZINC000019706321 210284510 /nfs/dbraw/zinc/28/45/10/210284510.db2.gz MVHQUUMMJCXAPX-KRWDZBQOSA-N 1 2 398.511 2.779 40 0 GFABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)c1cc(C3CCCCC3)no1)CC2 ZINC000019706321 210284512 /nfs/dbraw/zinc/28/45/12/210284512.db2.gz MVHQUUMMJCXAPX-KRWDZBQOSA-N 1 2 398.511 2.779 40 0 GFABLO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCCC[N@H+]5C)n4CC3)cc21 ZINC000019706141 210284321 /nfs/dbraw/zinc/28/43/21/210284321.db2.gz BGYSCSHRVWQVEI-IBGZPJMESA-N 1 2 392.507 2.923 40 0 GFABLO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCCC[N@@H+]5C)n4CC3)cc21 ZINC000019706141 210284323 /nfs/dbraw/zinc/28/43/23/210284323.db2.gz BGYSCSHRVWQVEI-IBGZPJMESA-N 1 2 392.507 2.923 40 0 GFABLO COc1cccc2ccc(C[N@@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)nc21 ZINC000012120713 221154575 /nfs/dbraw/zinc/15/45/75/221154575.db2.gz GCDGTVDPYYHAOA-UHFFFAOYSA-N 1 2 399.454 2.947 40 0 GFABLO COc1cccc2ccc(C[N@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)nc21 ZINC000012120713 221154578 /nfs/dbraw/zinc/15/45/78/221154578.db2.gz GCDGTVDPYYHAOA-UHFFFAOYSA-N 1 2 399.454 2.947 40 0 GFABLO CC(C)C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ncccn2)CC1 ZINC000057681201 136153767 /nfs/dbraw/zinc/15/37/67/136153767.db2.gz VHBGOIPNHRPESU-GOSISDBHSA-N 1 2 384.532 2.878 40 0 GFABLO C[C@]1(O)CC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000585262244 570229634 /nfs/dbraw/zinc/22/96/34/570229634.db2.gz SEXMVORNLPPWSY-PMACEKPBSA-N 1 2 393.480 2.634 40 0 GFABLO C[C@]1(O)CC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000585262244 570229638 /nfs/dbraw/zinc/22/96/38/570229638.db2.gz SEXMVORNLPPWSY-PMACEKPBSA-N 1 2 393.480 2.634 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cccc(F)c3)C1=O)CC2 ZINC000022609307 570323242 /nfs/dbraw/zinc/32/32/42/570323242.db2.gz CRIUXMRPZRZHKB-QGZVFWFLSA-N 1 2 384.407 2.533 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cccc(F)c3)C1=O)CC2 ZINC000022609307 570323245 /nfs/dbraw/zinc/32/32/45/570323245.db2.gz CRIUXMRPZRZHKB-QGZVFWFLSA-N 1 2 384.407 2.533 40 0 GFABLO CN(c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000408630221 570383983 /nfs/dbraw/zinc/38/39/83/570383983.db2.gz PQBRSXMZMXQVGG-UHFFFAOYSA-N 1 2 398.488 2.528 40 0 GFABLO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000223462452 570467591 /nfs/dbraw/zinc/46/75/91/570467591.db2.gz FUXVDHFAMFOXHA-RGEXLXHISA-N 1 2 378.432 2.762 40 0 GFABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000001335074 570569181 /nfs/dbraw/zinc/56/91/81/570569181.db2.gz ILXXLKJCPHQVBJ-UHFFFAOYSA-N 1 2 385.439 2.667 40 0 GFABLO COc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1OC ZINC000013569036 570850627 /nfs/dbraw/zinc/85/06/27/570850627.db2.gz ILGKFUGMIGEPLU-UHFFFAOYSA-N 1 2 385.508 2.823 40 0 GFABLO COc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1 ZINC000019551410 210261971 /nfs/dbraw/zinc/26/19/71/210261971.db2.gz RKYKRPOBHAGYSP-MGPUTAFESA-N 1 2 384.455 2.723 40 0 GFABLO COc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1 ZINC000019551410 210261973 /nfs/dbraw/zinc/26/19/73/210261973.db2.gz RKYKRPOBHAGYSP-MGPUTAFESA-N 1 2 384.455 2.723 40 0 GFABLO CCOc1cc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)ccc1OC ZINC000019532117 210259543 /nfs/dbraw/zinc/25/95/43/210259543.db2.gz TWWPRZKEDUFKFZ-UHFFFAOYSA-N 1 2 385.489 2.924 40 0 GFABLO CCOc1cc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)ccc1OC ZINC000019532117 210259546 /nfs/dbraw/zinc/25/95/46/210259546.db2.gz TWWPRZKEDUFKFZ-UHFFFAOYSA-N 1 2 385.489 2.924 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccccc4F)C[C@@H]2S3(=O)=O)cn1 ZINC000306140343 212052501 /nfs/dbraw/zinc/05/25/01/212052501.db2.gz UQPCRQREYGJSNH-RXVVDRJESA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccccc4F)C[C@@H]2S3(=O)=O)cn1 ZINC000306140343 212052505 /nfs/dbraw/zinc/05/25/05/212052505.db2.gz UQPCRQREYGJSNH-RXVVDRJESA-N 1 2 397.475 2.982 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000306123078 212043053 /nfs/dbraw/zinc/04/30/53/212043053.db2.gz AEAPQBYISPDYGV-UHFFFAOYSA-N 1 2 395.438 2.754 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000306123078 212043057 /nfs/dbraw/zinc/04/30/57/212043057.db2.gz AEAPQBYISPDYGV-UHFFFAOYSA-N 1 2 395.438 2.754 40 0 GFABLO Cc1ccc(-c2c[nH+]c3n2CC2(C3)CCN(C(=O)N3CCOCC3)CC2)cc1 ZINC000306123288 212042327 /nfs/dbraw/zinc/04/23/27/212042327.db2.gz AJFKEJAECDUVCB-UHFFFAOYSA-N 1 2 380.492 2.949 40 0 GFABLO CNC(=O)c1sc2nc([C@]3(C)CCCN(c4cc[nH+]c(C)n4)C3)ccc2c1N ZINC000257309831 212022584 /nfs/dbraw/zinc/02/25/84/212022584.db2.gz UCOHRPLIGXWUKJ-HXUWFJFHSA-N 1 2 396.520 2.895 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1F ZINC000257293248 212017864 /nfs/dbraw/zinc/01/78/64/212017864.db2.gz QORXORYRPRBUQZ-UZLBHIALSA-N 1 2 384.455 2.749 40 0 GFABLO CCOc1ccc([C@H]2[C@H](C(=O)NCCCn3cc[nH+]c3)CCC(=O)N2CC)cc1 ZINC000257286362 212017633 /nfs/dbraw/zinc/01/76/33/212017633.db2.gz PLGXRHUFVZFPBQ-CTNGQTDRSA-N 1 2 398.507 2.788 40 0 GFABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@]12CCCO2 ZINC000257255202 212011918 /nfs/dbraw/zinc/01/19/18/212011918.db2.gz KGNMRQCPCINESF-MAUKXSAKSA-N 1 2 379.457 2.644 40 0 GFABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@]12CCCO2 ZINC000257255202 212011920 /nfs/dbraw/zinc/01/19/20/212011920.db2.gz KGNMRQCPCINESF-MAUKXSAKSA-N 1 2 379.457 2.644 40 0 GFABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc(OC)c1 ZINC000329065396 209160171 /nfs/dbraw/zinc/16/01/71/209160171.db2.gz XQZBDPVGJSNIRT-UHFFFAOYSA-N 1 2 380.448 2.543 40 0 GFABLO Cc1nonc1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257216924 212004640 /nfs/dbraw/zinc/00/46/40/212004640.db2.gz CWRUVANVKKZCKV-UHFFFAOYSA-N 1 2 393.451 2.730 40 0 GFABLO CNc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329028630 209156996 /nfs/dbraw/zinc/15/69/96/209156996.db2.gz PWDOHEPWLQJNJS-UHFFFAOYSA-N 1 2 375.354 2.935 40 0 GFABLO Cc1cccc(S(=O)(=O)N2CCC3(C[C@@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221324 211319779 /nfs/dbraw/zinc/31/97/79/211319779.db2.gz GVRBXRHGGNUXCG-QGZVFWFLSA-N 1 2 387.505 2.814 40 0 GFABLO Cn1c[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 ZINC000096088041 211300240 /nfs/dbraw/zinc/30/02/40/211300240.db2.gz BGTHRLXYPBGCBU-IBGZPJMESA-N 1 2 378.407 2.938 40 0 GFABLO Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)N(C)C)CC3)nc2)[nH+]1 ZINC000072374200 211105309 /nfs/dbraw/zinc/10/53/09/211105309.db2.gz QDIINUGMOXIALP-UHFFFAOYSA-N 1 2 375.498 2.514 40 0 GFABLO Cc1nn(C)cc1-c1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)[nH]n1 ZINC000019718972 210288229 /nfs/dbraw/zinc/28/82/29/210288229.db2.gz ZJFXCQNVLAZSQJ-UHFFFAOYSA-N 1 2 398.898 2.730 40 0 GFABLO CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000408680068 528351790 /nfs/dbraw/zinc/35/17/90/528351790.db2.gz YKAPDFUDHQNSES-UHFFFAOYSA-N 1 2 391.471 2.962 40 0 GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000035424912 560080525 /nfs/dbraw/zinc/08/05/25/560080525.db2.gz ZEJVHEDXVJLWRX-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000035424912 560080526 /nfs/dbraw/zinc/08/05/26/560080526.db2.gz ZEJVHEDXVJLWRX-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)s1 ZINC000223125558 570445234 /nfs/dbraw/zinc/44/52/34/570445234.db2.gz LDBATUAWBHHSOS-ZWKOTPCHSA-N 1 2 388.562 2.756 40 0 GFABLO CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223205089 570449885 /nfs/dbraw/zinc/44/98/85/570449885.db2.gz VHHZEGVBKRZPDY-PMACEKPBSA-N 1 2 399.564 2.598 40 0 GFABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)C1(c2ccccc2)CCOCC1 ZINC000032712172 570513257 /nfs/dbraw/zinc/51/32/57/570513257.db2.gz PZGRSKIHNFZCMF-UHFFFAOYSA-N 1 2 394.515 2.883 40 0 GFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccn1 ZINC000261363919 570788733 /nfs/dbraw/zinc/78/87/33/570788733.db2.gz ILWKLIPOIWHCAH-SFHVURJKSA-O 1 2 380.453 2.557 40 0 GFABLO CN1c2ccccc2[C@@]2(NC(=N)NC(N(c3ccccc3)c3ccccc3)=[NH+]2)C1=O ZINC000017081010 570918914 /nfs/dbraw/zinc/91/89/14/570918914.db2.gz PZDWJYKZVVGZAX-QHCPKHFHSA-N 1 2 396.454 2.928 40 0 GFABLO COc1ccc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000095533708 655029552 /nfs/dbraw/zinc/02/95/52/655029552.db2.gz BOHSBBGHPHMBEC-AWEZNQCLSA-N 1 2 375.226 2.997 40 0 GFABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cc(C)c(O)c(C)c2)C3)cn1 ZINC000019570038 210267959 /nfs/dbraw/zinc/26/79/59/210267959.db2.gz BTCWUMODCQMLCZ-UHFFFAOYSA-N 1 2 377.448 2.828 40 0 GFABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C3)cn1 ZINC000019570038 210267964 /nfs/dbraw/zinc/26/79/64/210267964.db2.gz BTCWUMODCQMLCZ-UHFFFAOYSA-N 1 2 377.448 2.828 40 0 GFABLO CCn1cc(C[NH+]2CCN(C(=O)C[C@H](C)n3nc(C)c(Cl)c3C)CC2)cn1 ZINC000019524957 210255912 /nfs/dbraw/zinc/25/59/12/210255912.db2.gz ZHBGHHJIRCZTTE-AWEZNQCLSA-N 1 2 392.935 2.665 40 0 GFABLO C[C@@H]1Cc2cc([C@@H](O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498023 210252338 /nfs/dbraw/zinc/25/23/38/210252338.db2.gz LRUZEEAIBABYPH-UZLBHIALSA-N 1 2 396.487 2.590 40 0 GFABLO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018622 210221087 /nfs/dbraw/zinc/22/10/87/210221087.db2.gz FISBXFHKKZXMGX-IBGZPJMESA-N 1 2 384.455 2.736 40 0 GFABLO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018622 210221091 /nfs/dbraw/zinc/22/10/91/210221091.db2.gz FISBXFHKKZXMGX-IBGZPJMESA-N 1 2 384.455 2.736 40 0 GFABLO C[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000409410880 530069643 /nfs/dbraw/zinc/06/96/43/530069643.db2.gz RTOGNKLMLGFXIE-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO CN(C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257330908 212025506 /nfs/dbraw/zinc/02/55/06/212025506.db2.gz XQNUVCBOCIGZCX-RBSFLKMASA-N 1 2 393.369 2.615 40 0 GFABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)c4ccn(C)n4)C3)cn2)n1C ZINC000257289991 212018275 /nfs/dbraw/zinc/01/82/75/212018275.db2.gz QBAHPSWQFQCXIK-QGZVFWFLSA-N 1 2 378.480 2.619 40 0 GFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257280944 212016016 /nfs/dbraw/zinc/01/60/16/212016016.db2.gz ONASZNBQHKPWNV-TZIWHRDSSA-N 1 2 383.448 2.692 40 0 GFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@]12CCCO2 ZINC000257280944 212016021 /nfs/dbraw/zinc/01/60/21/212016021.db2.gz ONASZNBQHKPWNV-TZIWHRDSSA-N 1 2 383.448 2.692 40 0 GFABLO COc1ccc(CC(=O)N2CC[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1 ZINC000257232331 212007537 /nfs/dbraw/zinc/00/75/37/212007537.db2.gz GKKYVWNWJPJSOO-KRWDZBQOSA-N 1 2 389.459 2.688 40 0 GFABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)NCc1cccnc1)C2 ZINC000096254174 211324713 /nfs/dbraw/zinc/32/47/13/211324713.db2.gz YFSRVYABDZXUOG-UHFFFAOYSA-N 1 2 381.484 2.534 40 0 GFABLO Clc1ccc(OCCn2c[nH+]cc2-c2cnc(N3CCOCC3)nc2)cc1 ZINC000019719316 210288944 /nfs/dbraw/zinc/28/89/44/210288944.db2.gz GGQBLOMZTVYEKC-UHFFFAOYSA-N 1 2 385.855 2.909 40 0 GFABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000019706153 210283759 /nfs/dbraw/zinc/28/37/59/210283759.db2.gz FSLSYYIVWDLYAG-SFHVURJKSA-N 1 2 390.491 2.682 40 0 GFABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000019706153 210283762 /nfs/dbraw/zinc/28/37/62/210283762.db2.gz FSLSYYIVWDLYAG-SFHVURJKSA-N 1 2 390.491 2.682 40 0 GFABLO COc1cc2c(cc1C[N@@H+]1CCc3nc(-c4cccnc4)[nH]c(=O)c3C1)OCO2 ZINC000012122057 221154665 /nfs/dbraw/zinc/15/46/65/221154665.db2.gz BLRIOCJNHDLODY-UHFFFAOYSA-N 1 2 392.415 2.540 40 0 GFABLO COc1cc2c(cc1C[N@H+]1CCc3nc(-c4cccnc4)[nH]c(=O)c3C1)OCO2 ZINC000012122057 221154668 /nfs/dbraw/zinc/15/46/68/221154668.db2.gz BLRIOCJNHDLODY-UHFFFAOYSA-N 1 2 392.415 2.540 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530073 560212899 /nfs/dbraw/zinc/21/28/99/560212899.db2.gz OGSOAESCMUTTOP-HOTGVXAUSA-N 1 2 392.415 2.641 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCO3)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530073 560212901 /nfs/dbraw/zinc/21/29/01/560212901.db2.gz OGSOAESCMUTTOP-HOTGVXAUSA-N 1 2 392.415 2.641 40 0 biogenic,in-vitro GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccccc3C)C1=O)CC2 ZINC000022609135 570323279 /nfs/dbraw/zinc/32/32/79/570323279.db2.gz UYRMVBLHWVYWCF-GOSISDBHSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccccc3C)C1=O)CC2 ZINC000022609135 570323280 /nfs/dbraw/zinc/32/32/80/570323280.db2.gz UYRMVBLHWVYWCF-GOSISDBHSA-N 1 2 380.444 2.702 40 0 GFABLO NC(=O)C1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2ccccc2F)CC1 ZINC000057669529 570366725 /nfs/dbraw/zinc/36/67/25/570366725.db2.gz ZCUKVPHNRUPRLG-GOSISDBHSA-N 1 2 386.475 2.604 40 0 GFABLO CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223204971 570449915 /nfs/dbraw/zinc/44/99/15/570449915.db2.gz VHHZEGVBKRZPDY-UXHICEINSA-N 1 2 399.564 2.598 40 0 GFABLO O=C(C[NH+]1CCC(NC(=O)C2CCCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000035313364 570468151 /nfs/dbraw/zinc/46/81/51/570468151.db2.gz AWXGJZHNBCHFPF-UHFFFAOYSA-N 1 2 387.480 2.515 40 0 GFABLO O=C(NCCCn1cc[nH+]c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000028201879 570527787 /nfs/dbraw/zinc/52/77/87/570527787.db2.gz UMXBDLUGSMYFJN-UHFFFAOYSA-N 1 2 384.461 2.504 40 0 GFABLO CCN(CC)C(=O)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000006948141 570751383 /nfs/dbraw/zinc/75/13/83/570751383.db2.gz AIXUDMBKZBUEBW-UHFFFAOYSA-N 1 2 379.504 2.789 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000017081643 570919342 /nfs/dbraw/zinc/91/93/42/570919342.db2.gz FIMHXQAMZPEVJX-IAQYHMDHSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000017081643 570919344 /nfs/dbraw/zinc/91/93/44/570919344.db2.gz FIMHXQAMZPEVJX-IAQYHMDHSA-N 1 2 399.274 2.900 40 0 GFABLO O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1Cc1ccccc1 ZINC000019372814 570924557 /nfs/dbraw/zinc/92/45/57/570924557.db2.gz SWCUPSHOPGTQFH-UHFFFAOYSA-N 1 2 381.501 2.869 40 0 GFABLO CC[C@@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019500692 570926852 /nfs/dbraw/zinc/92/68/52/570926852.db2.gz GGRUMOVCXMAAQM-IBGZPJMESA-N 1 2 396.495 2.592 40 0 GFABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000019553534 210261072 /nfs/dbraw/zinc/26/10/72/210261072.db2.gz VEPMDRGYQCOMDJ-GOSISDBHSA-N 1 2 389.496 2.936 40 0 GFABLO COc1ccc(C[N@H+](Cc2cnn(C)c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000019553534 210261078 /nfs/dbraw/zinc/26/10/78/210261078.db2.gz VEPMDRGYQCOMDJ-GOSISDBHSA-N 1 2 389.496 2.936 40 0 GFABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000016025632 210183246 /nfs/dbraw/zinc/18/32/46/210183246.db2.gz QQAUCENVHPOCEA-DLBZAZTESA-N 1 2 376.460 2.542 40 0 GFABLO O=C(c1cnccn1)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306139986 212053305 /nfs/dbraw/zinc/05/33/05/212053305.db2.gz UGCWMHHOMKYYGL-FQEVSTJZSA-N 1 2 396.454 2.904 40 0 GFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136131 212050435 /nfs/dbraw/zinc/05/04/35/212050435.db2.gz PKEFCOQSQMZDRD-VGSWGCGISA-N 1 2 396.491 2.925 40 0 GFABLO Cc1ccccc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306128635 212048049 /nfs/dbraw/zinc/04/80/49/212048049.db2.gz HGWQQHNRIRBZLQ-UHFFFAOYSA-N 1 2 391.475 2.923 40 0 GFABLO Cc1ccccc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306128635 212048052 /nfs/dbraw/zinc/04/80/52/212048052.db2.gz HGWQQHNRIRBZLQ-UHFFFAOYSA-N 1 2 391.475 2.923 40 0 GFABLO COc1ccc(-c2cncc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257308489 212022228 /nfs/dbraw/zinc/02/22/28/212022228.db2.gz TWWWKVLECARGHF-NRFANRHFSA-N 1 2 379.464 2.768 40 0 GFABLO COc1ccc(-c2cncc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257308489 212022230 /nfs/dbraw/zinc/02/22/30/212022230.db2.gz TWWWKVLECARGHF-NRFANRHFSA-N 1 2 379.464 2.768 40 0 GFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@]12CCCO2 ZINC000257293194 212018567 /nfs/dbraw/zinc/01/85/67/212018567.db2.gz QOMVIHYLIUCPRE-UYAOXDASSA-N 1 2 387.505 2.937 40 0 GFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(-c3csc(C)n3)c2)C[C@]12CCCO2 ZINC000257293194 212018571 /nfs/dbraw/zinc/01/85/71/212018571.db2.gz QOMVIHYLIUCPRE-UYAOXDASSA-N 1 2 387.505 2.937 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)n2)n1C ZINC000257264076 212012990 /nfs/dbraw/zinc/01/29/90/212012990.db2.gz LSUSKZLRZBOCCU-KRWDZBQOSA-N 1 2 390.491 2.984 40 0 GFABLO COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000257237849 212008183 /nfs/dbraw/zinc/00/81/83/212008183.db2.gz HIMKFEZGSUCFGC-KRWDZBQOSA-N 1 2 380.448 2.877 40 0 GFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257231862 212007125 /nfs/dbraw/zinc/00/71/25/212007125.db2.gz GILGIGGPIDDBCF-HXUWFJFHSA-N 1 2 378.480 2.517 40 0 GFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(-c3cnn(C)c3)n2)C1 ZINC000257231862 212007129 /nfs/dbraw/zinc/00/71/29/212007129.db2.gz GILGIGGPIDDBCF-HXUWFJFHSA-N 1 2 378.480 2.517 40 0 GFABLO COc1cccc([C@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)c1OC ZINC000100162676 211383758 /nfs/dbraw/zinc/38/37/58/211383758.db2.gz PIWOIMWMPOQPPG-DAYGRLMNSA-N 1 2 387.480 2.848 40 0 GFABLO CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+]2Cc2ccccc2N2CCCC2)C1 ZINC000072373873 211102991 /nfs/dbraw/zinc/10/29/91/211102991.db2.gz GFJYFTZPPXTICV-HXUWFJFHSA-N 1 2 394.523 2.578 40 0 GFABLO CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@H+]2Cc2ccccc2N2CCCC2)C1 ZINC000072373873 211102997 /nfs/dbraw/zinc/10/29/97/211102997.db2.gz GFJYFTZPPXTICV-HXUWFJFHSA-N 1 2 394.523 2.578 40 0 GFABLO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000072348301 211096039 /nfs/dbraw/zinc/09/60/39/211096039.db2.gz DTYGVVKUPXCJEP-UHFFFAOYSA-N 1 2 397.866 2.718 40 0 GFABLO O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000038754132 210756907 /nfs/dbraw/zinc/75/69/07/210756907.db2.gz IPHFMKDQOYEEEJ-UHFFFAOYSA-N 1 2 388.427 2.565 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000130427189 527843122 /nfs/dbraw/zinc/84/31/22/527843122.db2.gz SGYNYWXMKKYZDQ-RISCZKNCSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000130427189 527843126 /nfs/dbraw/zinc/84/31/26/527843126.db2.gz SGYNYWXMKKYZDQ-RISCZKNCSA-N 1 2 399.274 2.900 40 0 GFABLO COc1ccc2c(c1)[nH]cc(NC(=O)N1CCN(c3cccc[nH+]3)CC1)c2=O ZINC000013566030 537019928 /nfs/dbraw/zinc/01/99/28/537019928.db2.gz LQQMIOUBWYOQGG-UHFFFAOYSA-N 1 2 379.420 2.698 40 0 GFABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674650 560231145 /nfs/dbraw/zinc/23/11/45/560231145.db2.gz GEBNKKHSISYLNY-UXHICEINSA-N 1 2 392.459 2.927 40 0 biogenic,in-vitro GFABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674650 560231146 /nfs/dbraw/zinc/23/11/46/560231146.db2.gz GEBNKKHSISYLNY-UXHICEINSA-N 1 2 392.459 2.927 40 0 biogenic,in-vitro GFABLO CC(C)c1ccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](CCO)CC4)nc3C2)cc1 ZINC000021123182 570291281 /nfs/dbraw/zinc/29/12/81/570291281.db2.gz VXDLMPVJGUCHDL-IBGZPJMESA-N 1 2 394.519 2.627 40 0 GFABLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000026895286 570429607 /nfs/dbraw/zinc/42/96/07/570429607.db2.gz DEGDZTPEJCXSMX-GOSISDBHSA-N 1 2 389.496 2.950 40 0 GFABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000036752879 570569716 /nfs/dbraw/zinc/56/97/16/570569716.db2.gz LMUAEZOFWNFJCP-SFHVURJKSA-N 1 2 396.447 2.649 40 0 GFABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000036752879 570569722 /nfs/dbraw/zinc/56/97/22/570569722.db2.gz LMUAEZOFWNFJCP-SFHVURJKSA-N 1 2 396.447 2.649 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000038372266 570579140 /nfs/dbraw/zinc/57/91/40/570579140.db2.gz MWZLQMNOWQMTCH-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000012116421 570610952 /nfs/dbraw/zinc/61/09/52/570610952.db2.gz ZOGQBZVLGOEVGH-INIZCTEOSA-N 1 2 392.459 2.835 40 0 GFABLO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2-c2cnc(C)cn2)on1 ZINC000012221527 570627902 /nfs/dbraw/zinc/62/79/02/570627902.db2.gz DHGOQKNCNVINIO-UHFFFAOYSA-N 1 2 376.424 2.904 40 0 GFABLO CCCCc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000044241635 570632737 /nfs/dbraw/zinc/63/27/37/570632737.db2.gz BXJZZUVIQSWDAP-UHFFFAOYSA-N 1 2 398.580 2.928 40 0 GFABLO COCCn1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670083 570702713 /nfs/dbraw/zinc/70/27/13/570702713.db2.gz CZMKBOOWGOBUQG-FQEVSTJZSA-N 1 2 386.544 2.846 40 0 GFABLO COc1cccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261365813 570789003 /nfs/dbraw/zinc/78/90/03/570789003.db2.gz VKQOZCYJJYFXKY-IBGZPJMESA-O 1 2 395.464 2.781 40 0 GFABLO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000013566281 570850256 /nfs/dbraw/zinc/85/02/56/570850256.db2.gz CFUBRAONLUWDQV-AUUYWEPGSA-N 1 2 387.480 2.598 40 0 GFABLO CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019499810 210254847 /nfs/dbraw/zinc/25/48/47/210254847.db2.gz ROQVCIKIWWOHOQ-CVEARBPZSA-N 1 2 399.539 2.954 40 0 GFABLO CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019499810 210254851 /nfs/dbraw/zinc/25/48/51/210254851.db2.gz ROQVCIKIWWOHOQ-CVEARBPZSA-N 1 2 399.539 2.954 40 0 GFABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000019500393 210254055 /nfs/dbraw/zinc/25/40/55/210254055.db2.gz JTANDAJVNZXMKR-AWEZNQCLSA-N 1 2 392.500 2.795 40 0 GFABLO COc1ccc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC ZINC000019240310 210235239 /nfs/dbraw/zinc/23/52/39/210235239.db2.gz NHVRNWTUZMTKDQ-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC ZINC000019240310 210235242 /nfs/dbraw/zinc/23/52/42/210235242.db2.gz NHVRNWTUZMTKDQ-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285852 210234651 /nfs/dbraw/zinc/23/46/51/210234651.db2.gz DWXXJOVZWMPEIR-LRDDRELGSA-N 1 2 386.525 2.955 40 0 GFABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)COc4ccccc4)C[N@H+]3C)n2)cc1 ZINC000012529723 291122917 /nfs/dbraw/zinc/12/29/17/291122917.db2.gz CQOAEPMYJZNBPG-HKUYNNGSSA-N 1 2 392.459 2.985 40 0 biogenic,in-vitro GFABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)COc4ccccc4)C[N@@H+]3C)n2)cc1 ZINC000012529723 291122921 /nfs/dbraw/zinc/12/29/21/291122921.db2.gz CQOAEPMYJZNBPG-HKUYNNGSSA-N 1 2 392.459 2.985 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@@H+]21 ZINC000253404193 209219345 /nfs/dbraw/zinc/21/93/45/209219345.db2.gz QVMNPHGADVXUMJ-NRFANRHFSA-N 1 2 391.515 2.677 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@H+]21 ZINC000253404193 209219348 /nfs/dbraw/zinc/21/93/48/209219348.db2.gz QVMNPHGADVXUMJ-NRFANRHFSA-N 1 2 391.515 2.677 40 0 biogenic,in-vitro GFABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306135686 212051583 /nfs/dbraw/zinc/05/15/83/212051583.db2.gz OXVGPEIAVGLFOT-LPHOPBHVSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306135686 212051586 /nfs/dbraw/zinc/05/15/86/212051586.db2.gz OXVGPEIAVGLFOT-LPHOPBHVSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135687 212050397 /nfs/dbraw/zinc/05/03/97/212050397.db2.gz OXVGPEIAVGLFOT-QFBILLFUSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306135687 212050400 /nfs/dbraw/zinc/05/04/00/212050400.db2.gz OXVGPEIAVGLFOT-QFBILLFUSA-N 1 2 385.514 2.904 40 0 GFABLO COCCN1CCC[C@@]2(C[N@H+](Cc3cccnc3Cl)CC(F)(F)C2)C1=O ZINC000306133159 212050083 /nfs/dbraw/zinc/05/00/83/212050083.db2.gz MDRSTCAQZICZFT-QGZVFWFLSA-N 1 2 387.858 2.831 40 0 GFABLO COCCN1CCC[C@@]2(C[N@@H+](Cc3cccnc3Cl)CC(F)(F)C2)C1=O ZINC000306133159 212050087 /nfs/dbraw/zinc/05/00/87/212050087.db2.gz MDRSTCAQZICZFT-QGZVFWFLSA-N 1 2 387.858 2.831 40 0 GFABLO CC(=O)N1CCC2(CC1)CN(C(=O)c1ccco1)Cc1c2[nH+]c(C)n1C(C)C ZINC000306127768 212047109 /nfs/dbraw/zinc/04/71/09/212047109.db2.gz GHENPDOONCDHDC-UHFFFAOYSA-N 1 2 384.480 2.902 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000306130762 212048752 /nfs/dbraw/zinc/04/87/52/212048752.db2.gz JOUOESSZYOVJJW-FCHUYYIVSA-N 1 2 384.545 2.603 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000306130762 212048758 /nfs/dbraw/zinc/04/87/58/212048758.db2.gz JOUOESSZYOVJJW-FCHUYYIVSA-N 1 2 384.545 2.603 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306129081 212048065 /nfs/dbraw/zinc/04/80/65/212048065.db2.gz HTYSEFLFGYCLCU-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306129081 212048061 /nfs/dbraw/zinc/04/80/61/212048061.db2.gz HTYSEFLFGYCLCU-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccsc4)C[C@H]2S3(=O)=O)cn1 ZINC000306124593 212044885 /nfs/dbraw/zinc/04/48/85/212044885.db2.gz BTZKUSIZPJZWOB-IEBWSBKVSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccsc4)C[C@H]2S3(=O)=O)cn1 ZINC000306124593 212044887 /nfs/dbraw/zinc/04/48/87/212044887.db2.gz BTZKUSIZPJZWOB-IEBWSBKVSA-N 1 2 385.514 2.904 40 0 GFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)N3CCCC3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306122954 212043284 /nfs/dbraw/zinc/04/32/84/212043284.db2.gz AAMLPBLTZGLBNU-AVRDEDQJSA-N 1 2 399.539 2.708 40 0 GFABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257228104 212006736 /nfs/dbraw/zinc/00/67/36/212006736.db2.gz FSHLGXJIYQUCCT-LJQANCHMSA-N 1 2 375.432 2.643 40 0 GFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cc1C(F)(F)F ZINC000329033758 209157556 /nfs/dbraw/zinc/15/75/56/209157556.db2.gz QVVJGLWTQFIGPF-JTQLQIEISA-N 1 2 382.386 2.762 40 0 GFABLO Cc1nc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccn23)cn1C(C)C ZINC000096154943 211312353 /nfs/dbraw/zinc/31/23/53/211312353.db2.gz MFMPLIUZGRSBIG-UHFFFAOYSA-N 1 2 395.507 2.754 40 0 GFABLO Cn1c[nH+]c2c1[C@H](C(=O)Nc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 ZINC000096088040 211300734 /nfs/dbraw/zinc/30/07/34/211300734.db2.gz BGTHRLXYPBGCBU-LJQANCHMSA-N 1 2 378.407 2.938 40 0 GFABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000072352214 211097005 /nfs/dbraw/zinc/09/70/05/211097005.db2.gz VYYNILDIKWPLBK-CQSZACIVSA-N 1 2 384.505 2.990 40 0 GFABLO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072352214 211097008 /nfs/dbraw/zinc/09/70/08/211097008.db2.gz VYYNILDIKWPLBK-CQSZACIVSA-N 1 2 384.505 2.990 40 0 GFABLO O=C(Nc1c[nH]c2c(Cl)cccc2c1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018179849 136202203 /nfs/dbraw/zinc/20/22/03/136202203.db2.gz PUDLMCVJMSNJTF-UHFFFAOYSA-N 1 2 383.839 2.931 40 0 GFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(=O)c1cccs1 ZINC000015676411 560094687 /nfs/dbraw/zinc/09/46/87/560094687.db2.gz INDBZLKWLLNXOA-INIZCTEOSA-N 1 2 381.457 2.733 40 0 biogenic,in-vitro GFABLO C[N@@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530085 560212859 /nfs/dbraw/zinc/21/28/59/560212859.db2.gz LNDMNRSKDQFBDX-ROUUACIJSA-N 1 2 377.448 2.981 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530085 560212860 /nfs/dbraw/zinc/21/28/60/560212860.db2.gz LNDMNRSKDQFBDX-ROUUACIJSA-N 1 2 377.448 2.981 40 0 biogenic,in-vitro GFABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OC)c2)N2NC=NC2=[NH+]1 ZINC000038303297 570416086 /nfs/dbraw/zinc/41/60/86/570416086.db2.gz YELNSVBSSDCGRQ-SFHVURJKSA-N 1 2 386.452 2.970 40 0 GFABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OC)c2)N2NC=[NH+]C2=N1 ZINC000038303297 570416088 /nfs/dbraw/zinc/41/60/88/570416088.db2.gz YELNSVBSSDCGRQ-SFHVURJKSA-N 1 2 386.452 2.970 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169293775 570472298 /nfs/dbraw/zinc/47/22/98/570472298.db2.gz HPUXACWYEUDBLN-OZQHCQBDSA-N 1 2 396.418 2.516 40 0 GFABLO COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026817654 570482603 /nfs/dbraw/zinc/48/26/03/570482603.db2.gz SQAJLAVFEKAKKH-WJFTUGDTSA-N 1 2 392.386 2.514 40 0 GFABLO COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026817654 570482605 /nfs/dbraw/zinc/48/26/05/570482605.db2.gz SQAJLAVFEKAKKH-WJFTUGDTSA-N 1 2 392.386 2.514 40 0 GFABLO Cn1c2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2sc1=O ZINC000225021794 570544123 /nfs/dbraw/zinc/54/41/23/570544123.db2.gz QSEKRBOWGCCMKB-UHFFFAOYSA-N 1 2 383.473 2.685 40 0 GFABLO CCCn1c(C[N@@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012145348 570615972 /nfs/dbraw/zinc/61/59/72/570615972.db2.gz KBEYZRKAOMQILK-UHFFFAOYSA-N 1 2 392.507 2.688 40 0 GFABLO CCCn1c(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012145348 570615975 /nfs/dbraw/zinc/61/59/75/570615975.db2.gz KBEYZRKAOMQILK-UHFFFAOYSA-N 1 2 392.507 2.688 40 0 GFABLO COc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(OC)c1OC ZINC000044882885 570638546 /nfs/dbraw/zinc/63/85/46/570638546.db2.gz HZAOPMUBJMUEQX-UHFFFAOYSA-N 1 2 381.432 2.887 40 0 GFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccnc1 ZINC000261364510 570788549 /nfs/dbraw/zinc/78/85/49/570788549.db2.gz LVYMUSUBJGYNBE-SFHVURJKSA-O 1 2 380.453 2.557 40 0 GFABLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000019214059 570924337 /nfs/dbraw/zinc/92/43/37/570924337.db2.gz SDJQBWJYZURHBZ-UHFFFAOYSA-N 1 2 381.476 2.788 40 0 GFABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019529720 570928811 /nfs/dbraw/zinc/92/88/11/570928811.db2.gz MOQSAHOVJOVCIP-QPXQOZNCSA-N 1 2 392.455 2.767 40 0 GFABLO O=C(c1ccccc1)N1CCN(c2[nH+]cnc3c2cnn3Cc2ccccc2)CC1 ZINC000036729326 570947015 /nfs/dbraw/zinc/94/70/15/570947015.db2.gz SHTDGBUCYXMFCS-UHFFFAOYSA-N 1 2 398.470 2.837 40 0 GFABLO CNc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328981744 212091875 /nfs/dbraw/zinc/09/18/75/212091875.db2.gz GVUIYWHAHBFLRA-UHFFFAOYSA-N 1 2 375.354 2.935 40 0 GFABLO O=S1(=O)N[C@@H](C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)Nc2ccccc21 ZINC000012221921 221168840 /nfs/dbraw/zinc/16/88/40/221168840.db2.gz RAJUFOXZTZLYMQ-FQEVSTJZSA-N 1 2 397.504 2.505 40 0 GFABLO O=C(NC1CCCCC1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675906 221338800 /nfs/dbraw/zinc/33/88/00/221338800.db2.gz UQURCJIPBZCAIQ-KRWDZBQOSA-N 1 2 393.451 2.996 40 0 biogenic,in-vitro GFABLO O=C(NC1CCCCC1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675906 221338803 /nfs/dbraw/zinc/33/88/03/221338803.db2.gz UQURCJIPBZCAIQ-KRWDZBQOSA-N 1 2 393.451 2.996 40 0 biogenic,in-vitro GFABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000019664342 221440429 /nfs/dbraw/zinc/44/04/29/221440429.db2.gz WHWRSKBHKQMCDK-UHFFFAOYSA-N 1 2 395.459 2.922 40 0 GFABLO CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CC[NH+](Cc2ccco2)CC1 ZINC000072335857 222230587 /nfs/dbraw/zinc/23/05/87/222230587.db2.gz OZBFCZOHSNIDPT-UHFFFAOYSA-N 1 2 398.488 2.915 40 0 GFABLO O=S(=O)(c1cccs1)N1CCC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222972 222398009 /nfs/dbraw/zinc/39/80/09/222398009.db2.gz DGIAZYMLHMQBBF-YOEHRIQHSA-N 1 2 379.507 2.567 40 0 GFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1F ZINC000020801549 570281290 /nfs/dbraw/zinc/28/12/90/570281290.db2.gz ZTHHZNBQGXVEJT-RTBURBONSA-N 1 2 395.434 2.590 40 0 GFABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N2CCOCC2)cc1 ZINC000072216232 570317499 /nfs/dbraw/zinc/31/74/99/570317499.db2.gz DEWFFRURMXJCAN-IBGZPJMESA-N 1 2 387.505 2.752 40 0 GFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)CC1 ZINC000408625376 570377071 /nfs/dbraw/zinc/37/70/71/570377071.db2.gz SIGLJHFSVBTUCA-UHFFFAOYSA-N 1 2 387.505 2.574 40 0 GFABLO COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000033350230 570407136 /nfs/dbraw/zinc/40/71/36/570407136.db2.gz NMGOVUSWQPVCMX-NMLBUPMWSA-N 1 2 390.439 2.530 40 0 GFABLO COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000033350230 570407139 /nfs/dbraw/zinc/40/71/39/570407139.db2.gz NMGOVUSWQPVCMX-NMLBUPMWSA-N 1 2 390.439 2.530 40 0 GFABLO COc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c(OC)c1 ZINC000225220229 570557538 /nfs/dbraw/zinc/55/75/38/570557538.db2.gz REURVLPCJXIQRI-UHFFFAOYSA-N 1 2 387.505 2.924 40 0 GFABLO CC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057669976 570702872 /nfs/dbraw/zinc/70/28/72/570702872.db2.gz AQYDWJLLFQFFDZ-INIZCTEOSA-N 1 2 398.433 2.612 40 0 GFABLO CCn1c(CCCC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)nc2ccccc21 ZINC000257227963 570764434 /nfs/dbraw/zinc/76/44/34/570764434.db2.gz FRTNPFYZOKEXMD-PMACEKPBSA-N 1 2 395.507 2.800 40 0 GFABLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628859 570905585 /nfs/dbraw/zinc/90/55/85/570905585.db2.gz NSUWDHSSVSZBJZ-LJQANCHMSA-N 1 2 379.416 2.991 40 0 GFABLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628859 570905589 /nfs/dbraw/zinc/90/55/89/570905589.db2.gz NSUWDHSSVSZBJZ-LJQANCHMSA-N 1 2 379.416 2.991 40 0 GFABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCCc3cccs3)C2)c1 ZINC000585096221 570922433 /nfs/dbraw/zinc/92/24/33/570922433.db2.gz ZONWKYXNKVVAPH-IBGZPJMESA-N 1 2 394.500 2.809 40 0 GFABLO Cc1ccc(C(=O)N2C[C@@H](c3cn(C)c[nH+]3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306127636 570937351 /nfs/dbraw/zinc/93/73/51/570937351.db2.gz GDYGPPLAUMBINW-KKSFZXQISA-N 1 2 398.532 2.658 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccc(F)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306131170 570939890 /nfs/dbraw/zinc/93/98/90/570939890.db2.gz JYCNHOQULPSQJQ-CTNGQTDRSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306131170 570939892 /nfs/dbraw/zinc/93/98/92/570939892.db2.gz JYCNHOQULPSQJQ-CTNGQTDRSA-N 1 2 397.475 2.982 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]32)c1 ZINC000306138998 570943853 /nfs/dbraw/zinc/94/38/53/570943853.db2.gz SMPVPGAHMBZFIW-LEWJYISDSA-N 1 2 398.528 2.509 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]32)c1 ZINC000306138998 570943855 /nfs/dbraw/zinc/94/38/55/570943855.db2.gz SMPVPGAHMBZFIW-LEWJYISDSA-N 1 2 398.528 2.509 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccccc4F)C[C@H]2S3(=O)=O)cn1 ZINC000306140344 570944870 /nfs/dbraw/zinc/94/48/70/570944870.db2.gz UQPCRQREYGJSNH-WIYYLYMNSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccccc4F)C[C@H]2S3(=O)=O)cn1 ZINC000306140344 570944871 /nfs/dbraw/zinc/94/48/71/570944871.db2.gz UQPCRQREYGJSNH-WIYYLYMNSA-N 1 2 397.475 2.982 40 0 GFABLO COc1cc(C[N@@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc(OC)c1OC ZINC000019549779 571000305 /nfs/dbraw/zinc/00/03/05/571000305.db2.gz HNMSQDLLKWVALE-HNNXBMFYSA-N 1 2 397.435 2.890 40 0 GFABLO COc1cc(C[N@H+]2CCC[C@H]2c2nnc(-c3cnccn3)o2)cc(OC)c1OC ZINC000019549779 571000308 /nfs/dbraw/zinc/00/03/08/571000308.db2.gz HNMSQDLLKWVALE-HNNXBMFYSA-N 1 2 397.435 2.890 40 0 GFABLO COc1ccc(NC(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)cc1OC ZINC000012142793 221158455 /nfs/dbraw/zinc/15/84/55/221158455.db2.gz FXSHWKFKNBUHKZ-UHFFFAOYSA-N 1 2 394.431 2.735 40 0 GFABLO CCOC(=O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000012157111 221160638 /nfs/dbraw/zinc/16/06/38/221160638.db2.gz ZYOGXUNXTOVPBA-MRXNPFEDSA-N 1 2 390.455 2.943 40 0 GFABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4ccc(F)cc4)CCO3)C2)cs1 ZINC000096049820 222374589 /nfs/dbraw/zinc/37/45/89/222374589.db2.gz PYDBZTCEYOKHES-HXUWFJFHSA-N 1 2 391.512 2.694 40 0 GFABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4ccc(F)cc4)CCO3)C2)cs1 ZINC000096049820 222374592 /nfs/dbraw/zinc/37/45/92/222374592.db2.gz PYDBZTCEYOKHES-HXUWFJFHSA-N 1 2 391.512 2.694 40 0 GFABLO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4ccsc4)CCO3)C2)cs1 ZINC000096049810 222374798 /nfs/dbraw/zinc/37/47/98/222374798.db2.gz MXZAQBYGDLYJLB-GOSISDBHSA-N 1 2 379.551 2.616 40 0 GFABLO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4ccsc4)CCO3)C2)cs1 ZINC000096049810 222374799 /nfs/dbraw/zinc/37/47/99/222374799.db2.gz MXZAQBYGDLYJLB-GOSISDBHSA-N 1 2 379.551 2.616 40 0 GFABLO CNC(=O)[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000225402086 560043629 /nfs/dbraw/zinc/04/36/29/560043629.db2.gz QQQRCTBZYBDVQW-VQTJNVASSA-N 1 2 383.467 2.736 40 0 biogenic,in-vitro GFABLO CNC(=O)[C@@H](c1ccccc1F)[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000225402086 560043631 /nfs/dbraw/zinc/04/36/31/560043631.db2.gz QQQRCTBZYBDVQW-VQTJNVASSA-N 1 2 383.467 2.736 40 0 biogenic,in-vitro GFABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc3cc(C)[nH]n3c(=O)c1C2 ZINC000100219520 570269153 /nfs/dbraw/zinc/26/91/53/570269153.db2.gz HVHYGIMIEKWTLI-CABCVRRESA-N 1 2 394.475 2.892 40 0 GFABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc3cc(C)[nH]n3c(=O)c1C2 ZINC000100219520 570269156 /nfs/dbraw/zinc/26/91/56/570269156.db2.gz HVHYGIMIEKWTLI-CABCVRRESA-N 1 2 394.475 2.892 40 0 GFABLO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670440 570367902 /nfs/dbraw/zinc/36/79/02/570367902.db2.gz KJYWNIJDMWPQEF-WOJBJXKFSA-N 1 2 384.528 2.906 40 0 GFABLO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2)ccc1NC(=O)c1ccccc1 ZINC000408627302 570379577 /nfs/dbraw/zinc/37/95/77/570379577.db2.gz ZGCNPNVGJMCLLE-UHFFFAOYSA-N 1 2 398.488 2.812 40 0 GFABLO CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223128718 570445252 /nfs/dbraw/zinc/44/52/52/570445252.db2.gz WTBSVULHMNFJOQ-PMACEKPBSA-N 1 2 399.564 2.769 40 0 GFABLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030943105 570501466 /nfs/dbraw/zinc/50/14/66/570501466.db2.gz VWWQFDJTPGXDMM-UHFFFAOYSA-N 1 2 395.415 2.988 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2cc(Br)c3cccc4c3c2CC4)CC1 ZINC000041105692 570615565 /nfs/dbraw/zinc/61/55/65/570615565.db2.gz SBONFIGZTLFCIB-UHFFFAOYSA-N 1 2 395.322 2.637 40 0 GFABLO C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857170 570637309 /nfs/dbraw/zinc/63/73/09/570637309.db2.gz HSPNALJMZPAWQQ-OAHLLOKOSA-N 1 2 383.473 2.826 40 0 GFABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000004909597 570648467 /nfs/dbraw/zinc/64/84/67/570648467.db2.gz ZDUBXYWJPWXEQL-UHFFFAOYSA-N 1 2 395.459 2.557 40 0 GFABLO COCCc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057797147 570703867 /nfs/dbraw/zinc/70/38/67/570703867.db2.gz SADUSKTWHJLTOV-UHFFFAOYSA-N 1 2 392.459 2.992 40 0 GFABLO COCCc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057797147 570703871 /nfs/dbraw/zinc/70/38/71/570703871.db2.gz SADUSKTWHJLTOV-UHFFFAOYSA-N 1 2 392.459 2.992 40 0 GFABLO CCN1CC[N@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239533 570767494 /nfs/dbraw/zinc/76/74/94/570767494.db2.gz HPTLAQWRIZGLDG-HXUWFJFHSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239533 570767495 /nfs/dbraw/zinc/76/74/95/570767495.db2.gz HPTLAQWRIZGLDG-HXUWFJFHSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239533 570767496 /nfs/dbraw/zinc/76/74/96/570767496.db2.gz HPTLAQWRIZGLDG-HXUWFJFHSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239533 570767497 /nfs/dbraw/zinc/76/74/97/570767497.db2.gz HPTLAQWRIZGLDG-HXUWFJFHSA-N 1 2 389.503 2.995 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257305126 570778928 /nfs/dbraw/zinc/77/89/28/570778928.db2.gz SONOHNYLGJTJIC-CQSZACIVSA-N 1 2 381.411 2.588 40 0 GFABLO Nc1ccc(-c2cccc([C@H]3CN(C(=O)COc4ccccc4)CCO3)n2)c[nH+]1 ZINC000257330941 570783033 /nfs/dbraw/zinc/78/30/33/570783033.db2.gz XQSDWVAWUVBJCG-HXUWFJFHSA-N 1 2 390.443 2.705 40 0 GFABLO Cc1cccc(CN2CCC[C@@]3(C[N@H+](Cc4cn[nH]c4)CC(F)(F)C3)C2=O)n1 ZINC000306141686 570945167 /nfs/dbraw/zinc/94/51/67/570945167.db2.gz WDWYUUSEGMKBQQ-LJQANCHMSA-N 1 2 389.450 2.763 40 0 GFABLO Cc1cccc(CN2CCC[C@@]3(C[N@@H+](Cc4cn[nH]c4)CC(F)(F)C3)C2=O)n1 ZINC000306141686 570945173 /nfs/dbraw/zinc/94/51/73/570945173.db2.gz WDWYUUSEGMKBQQ-LJQANCHMSA-N 1 2 389.450 2.763 40 0 GFABLO Cc1ccnc(-n2cccc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000019238214 570967601 /nfs/dbraw/zinc/96/76/01/570967601.db2.gz KGYMGZCMFZAJLR-UHFFFAOYSA-N 1 2 391.519 2.910 40 0 GFABLO Cn1nc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000019289053 570971027 /nfs/dbraw/zinc/97/10/27/570971027.db2.gz DYKRHGWGKDRIRZ-UHFFFAOYSA-N 1 2 393.466 2.508 40 0 GFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019462880 570988865 /nfs/dbraw/zinc/98/88/65/570988865.db2.gz UYEQSLYSJIMRQG-HOCLYGCPSA-N 1 2 397.523 2.563 40 0 GFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019462880 570988869 /nfs/dbraw/zinc/98/88/69/570988869.db2.gz UYEQSLYSJIMRQG-HOCLYGCPSA-N 1 2 397.523 2.563 40 0 GFABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)n1 ZINC000019572941 571010783 /nfs/dbraw/zinc/01/07/83/571010783.db2.gz DNBZVSRIYBPITH-XLIONFOSSA-N 1 2 396.539 2.983 40 0 GFABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)n1 ZINC000019572941 571010784 /nfs/dbraw/zinc/01/07/84/571010784.db2.gz DNBZVSRIYBPITH-XLIONFOSSA-N 1 2 396.539 2.983 40 0 GFABLO Cc1noc2nc(C)cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)c12 ZINC000019715847 571038031 /nfs/dbraw/zinc/03/80/31/571038031.db2.gz ZTRALJWSBFHKCI-IBGZPJMESA-N 1 2 394.475 2.951 40 0 GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCC3)CC[N@@H+]21 ZINC000253405846 212136260 /nfs/dbraw/zinc/13/62/60/212136260.db2.gz TVRYJPDYUSBLLW-FQEVSTJZSA-N 1 2 398.551 2.693 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)C3CCCC3)CC[N@H+]21 ZINC000253405846 212136262 /nfs/dbraw/zinc/13/62/62/212136262.db2.gz TVRYJPDYUSBLLW-FQEVSTJZSA-N 1 2 398.551 2.693 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@@H+]21 ZINC000253400262 212135643 /nfs/dbraw/zinc/13/56/43/212135643.db2.gz KXNRQNVUIYLFTA-FQEVSTJZSA-N 1 2 398.551 2.950 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@H+]21 ZINC000253400262 212135645 /nfs/dbraw/zinc/13/56/45/212135645.db2.gz KXNRQNVUIYLFTA-FQEVSTJZSA-N 1 2 398.551 2.950 40 0 biogenic,in-vitro GFABLO CNc1nc(Nc2ccc(I)cc2F)cc(C2CC2)[nH+]1 ZINC000329013553 212093707 /nfs/dbraw/zinc/09/37/07/212093707.db2.gz MQOJAXPUPFDQMU-UHFFFAOYSA-N 1 2 384.196 2.727 40 0 GFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)c(Br)c1 ZINC000329047881 212095043 /nfs/dbraw/zinc/09/50/43/212095043.db2.gz UIAZDSFJEMLFKG-UHFFFAOYSA-N 1 2 377.286 2.807 40 0 GFABLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3)CC2)c(OC)c1 ZINC000011096814 221111253 /nfs/dbraw/zinc/11/12/53/221111253.db2.gz LRMIUFFOYPVRQD-UHFFFAOYSA-N 1 2 397.475 2.537 40 0 GFABLO O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000012147671 221160758 /nfs/dbraw/zinc/16/07/58/221160758.db2.gz OMZIUGOKFPJWBC-UHFFFAOYSA-N 1 2 396.472 2.859 40 0 GFABLO COc1ccc(OC)c(C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)c1 ZINC000012187486 221165365 /nfs/dbraw/zinc/16/53/65/221165365.db2.gz LNFWUSMYJWUEIK-IBGZPJMESA-N 1 2 386.496 2.741 40 0 GFABLO COc1ccc(OC)c(C[N@H+](Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)c1 ZINC000012187486 221165368 /nfs/dbraw/zinc/16/53/68/221165368.db2.gz LNFWUSMYJWUEIK-IBGZPJMESA-N 1 2 386.496 2.741 40 0 GFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000015674921 221338530 /nfs/dbraw/zinc/33/85/30/221338530.db2.gz IKXNPVGQCYVEOY-CVEARBPZSA-N 1 2 383.379 2.912 40 0 biogenic,in-vitro GFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000015674921 221338532 /nfs/dbraw/zinc/33/85/32/221338532.db2.gz IKXNPVGQCYVEOY-CVEARBPZSA-N 1 2 383.379 2.912 40 0 biogenic,in-vitro GFABLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(-c2cccnc2)c2cnccc2n1 ZINC000019084982 221396283 /nfs/dbraw/zinc/39/62/83/221396283.db2.gz LVQQAIHNDYXAQN-UHFFFAOYSA-N 1 2 391.475 2.532 40 0 GFABLO CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc(Br)cc32)[N@@H+]2CCC[C@H]12 ZINC000055243784 222018190 /nfs/dbraw/zinc/01/81/90/222018190.db2.gz OROIOIPZEJZPSI-KHIZAZIESA-N 1 2 379.254 2.644 40 0 GFABLO CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc(Br)cc32)[N@H+]2CCC[C@H]12 ZINC000055243784 222018195 /nfs/dbraw/zinc/01/81/95/222018195.db2.gz OROIOIPZEJZPSI-KHIZAZIESA-N 1 2 379.254 2.644 40 0 GFABLO COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](Cc4ccccc4Cl)C[C@H]32)cc1 ZINC000067897207 222167032 /nfs/dbraw/zinc/16/70/32/222167032.db2.gz AUTNEDLCPQCJMC-UXHICEINSA-N 1 2 386.879 2.960 40 0 biogenic,in-vitro GFABLO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4ccccc4Cl)C[C@H]32)cc1 ZINC000067897207 222167036 /nfs/dbraw/zinc/16/70/36/222167036.db2.gz AUTNEDLCPQCJMC-UXHICEINSA-N 1 2 386.879 2.960 40 0 biogenic,in-vitro GFABLO COc1ccc(-c2c(C)nn3c2nc(C)cc3NCC[NH+]2CCOCC2)cc1 ZINC000072341677 222232031 /nfs/dbraw/zinc/23/20/31/222232031.db2.gz KGBVJFCFRTVCQC-UHFFFAOYSA-N 1 2 381.480 2.766 40 0 GFABLO Cc1cccc(Nc2ccc([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)[nH+]1 ZINC000072353302 222237319 /nfs/dbraw/zinc/23/73/19/222237319.db2.gz TVZXFTORGUAAPJ-OAHLLOKOSA-N 1 2 375.498 2.514 40 0 GFABLO Cc1noc(CCC(=O)N2CC[C@H](c3cc(-c4ccc(N)[nH+]c4)cc(C)n3)C2)n1 ZINC000072374718 222242143 /nfs/dbraw/zinc/24/21/43/222242143.db2.gz CJWBGAXCXVPJSO-INIZCTEOSA-N 1 2 392.463 2.674 40 0 GFABLO COCCn1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670072 570367550 /nfs/dbraw/zinc/36/75/50/570367550.db2.gz LZCYPTNTDQXJKD-HXUWFJFHSA-N 1 2 386.544 2.846 40 0 GFABLO CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670386 570367771 /nfs/dbraw/zinc/36/77/71/570367771.db2.gz VVEDKJNPNPKZSO-OALUTQOASA-N 1 2 388.491 2.511 40 0 GFABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000035312018 570467182 /nfs/dbraw/zinc/46/71/82/570467182.db2.gz USADQSZANDXYOH-UHFFFAOYSA-N 1 2 385.439 2.667 40 0 GFABLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000004908883 570647778 /nfs/dbraw/zinc/64/77/78/570647778.db2.gz KBTKFJGPBVXKNZ-UHFFFAOYSA-N 1 2 397.475 2.537 40 0 GFABLO CN(C)C(=O)C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257202695 570760239 /nfs/dbraw/zinc/76/02/39/570760239.db2.gz AMXBTMYXSOMIFH-IKGGRYGDSA-N 1 2 397.441 2.968 40 0 GFABLO CN(C)C(=O)C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257202695 570760242 /nfs/dbraw/zinc/76/02/42/570760242.db2.gz AMXBTMYXSOMIFH-IKGGRYGDSA-N 1 2 397.441 2.968 40 0 GFABLO FC(F)(F)c1ccnc(Nc2nccc(C3CN(Cc4[nH]cc[nH+]4)C3)n2)c1 ZINC000257209180 570761159 /nfs/dbraw/zinc/76/11/59/570761159.db2.gz BPHPHJSTYAZVCR-UHFFFAOYSA-N 1 2 375.358 2.957 40 0 GFABLO Cc1nc(N2CCC(c3c4nccnc4sc3C(=O)N(C)C)CC2)cc[nH+]1 ZINC000257236887 570766856 /nfs/dbraw/zinc/76/68/56/570766856.db2.gz HEFFYYOGYVGMKQ-UHFFFAOYSA-N 1 2 382.493 2.876 40 0 GFABLO C[N@H+](CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccccc1F ZINC000257291913 570777025 /nfs/dbraw/zinc/77/70/25/570777025.db2.gz QJFHBGUQNDHGKU-PBEJRMEISA-N 1 2 383.467 2.969 40 0 GFABLO C[N@@H+](CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccccc1F ZINC000257291913 570777027 /nfs/dbraw/zinc/77/70/27/570777027.db2.gz QJFHBGUQNDHGKU-PBEJRMEISA-N 1 2 383.467 2.969 40 0 GFABLO COc1ccc(-c2cncc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257308490 570779501 /nfs/dbraw/zinc/77/95/01/570779501.db2.gz TWWWKVLECARGHF-OAQYLSRUSA-N 1 2 379.464 2.768 40 0 GFABLO COc1ccc(-c2cncc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)n2)cc1 ZINC000257308490 570779505 /nfs/dbraw/zinc/77/95/05/570779505.db2.gz TWWWKVLECARGHF-OAQYLSRUSA-N 1 2 379.464 2.768 40 0 GFABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257318516 570781008 /nfs/dbraw/zinc/78/10/08/570781008.db2.gz VOGWHOQVVGCELN-JOCHJYFZSA-N 1 2 389.459 2.901 40 0 GFABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257318516 570781011 /nfs/dbraw/zinc/78/10/11/570781011.db2.gz VOGWHOQVVGCELN-JOCHJYFZSA-N 1 2 389.459 2.901 40 0 GFABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCc3cccs3)C2)c1 ZINC000585095916 570922647 /nfs/dbraw/zinc/92/26/47/570922647.db2.gz BDDCKYDEJVKNIW-SFHVURJKSA-N 1 2 380.473 2.767 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306123936 570935855 /nfs/dbraw/zinc/93/58/55/570935855.db2.gz BAYCPEKGZUAETR-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306123936 570935858 /nfs/dbraw/zinc/93/58/58/570935858.db2.gz BAYCPEKGZUAETR-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO COC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000019236987 570966744 /nfs/dbraw/zinc/96/67/44/570966744.db2.gz HPUXACWYEUDBLN-ORGXJRBJSA-N 1 2 396.418 2.516 40 0 GFABLO c1[nH]c2c([nH+]1)C[C@@H](c1nc(-c3cnccn3)no1)N(CCCc1ccccc1)C2 ZINC000015675486 221339265 /nfs/dbraw/zinc/33/92/65/221339265.db2.gz QSLSNMIBESNQPE-IBGZPJMESA-N 1 2 387.447 2.982 40 0 biogenic,in-vitro GFABLO C[C@@H]1CN(c2nccc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1 ZINC000072348159 136168887 /nfs/dbraw/zinc/16/88/87/136168887.db2.gz FFVWDYBAQAAGGR-QZTJIDSGSA-N 1 2 399.514 2.547 40 0 GFABLO C[C@@H]1CN(c2nccc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@@H](C)O1 ZINC000072348159 136168888 /nfs/dbraw/zinc/16/88/88/136168888.db2.gz FFVWDYBAQAAGGR-QZTJIDSGSA-N 1 2 399.514 2.547 40 0 GFABLO CCSc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339913 222230444 /nfs/dbraw/zinc/23/04/44/222230444.db2.gz JAUCMPGQNVHZOB-UHFFFAOYSA-N 1 2 380.477 2.705 40 0 GFABLO CCSc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339913 222230446 /nfs/dbraw/zinc/23/04/46/222230446.db2.gz JAUCMPGQNVHZOB-UHFFFAOYSA-N 1 2 380.477 2.705 40 0 GFABLO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000072398793 222253320 /nfs/dbraw/zinc/25/33/20/222253320.db2.gz HANCVCZBWWINCR-KRWDZBQOSA-N 1 2 386.521 2.853 40 0 GFABLO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3Cc3cccs3)[nH]c(=O)c2C1 ZINC000072398793 222253324 /nfs/dbraw/zinc/25/33/24/222253324.db2.gz HANCVCZBWWINCR-KRWDZBQOSA-N 1 2 386.521 2.853 40 0 GFABLO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000072398789 222254330 /nfs/dbraw/zinc/25/43/30/222254330.db2.gz KDNFGEKXEKQWQB-KRWDZBQOSA-N 1 2 386.521 2.853 40 0 GFABLO CCCC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000072398789 222254333 /nfs/dbraw/zinc/25/43/33/222254333.db2.gz KDNFGEKXEKQWQB-KRWDZBQOSA-N 1 2 386.521 2.853 40 0 GFABLO O=S(=O)(c1cccs1)N1CCC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222965 222397922 /nfs/dbraw/zinc/39/79/22/222397922.db2.gz DGIAZYMLHMQBBF-RHSMWYFYSA-N 1 2 379.507 2.567 40 0 GFABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](C3COC3)C[C@H]21 ZINC000514290141 560030051 /nfs/dbraw/zinc/03/00/51/560030051.db2.gz SLIIZTYRAFWZDV-QUCCMNQESA-N 1 2 386.398 2.548 40 0 biogenic,in-vitro GFABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](C3COC3)C[C@H]21 ZINC000514290141 560030052 /nfs/dbraw/zinc/03/00/52/560030052.db2.gz SLIIZTYRAFWZDV-QUCCMNQESA-N 1 2 386.398 2.548 40 0 biogenic,in-vitro GFABLO COc1ccc(CCn2c[nH+]cc2-c2cnc(N3CCOCC3)nc2)cc1C ZINC000019719326 570210491 /nfs/dbraw/zinc/21/04/91/570210491.db2.gz KKPUZDAXHPTZPL-UHFFFAOYSA-N 1 2 379.464 2.736 40 0 GFABLO COc1ccc([C@@H](C)n2c[nH+]cc2-c2cnc(N3CCOCC3)nc2)cc1OC ZINC000019719351 570210548 /nfs/dbraw/zinc/21/05/48/570210548.db2.gz YSFYJYUKJVNOHL-OAHLLOKOSA-N 1 2 395.463 2.803 40 0 GFABLO CCNC(=O)N1CCC2(CC1)c1ncc(-c3ccc(OC)cc3)n1CC[N@H+]2C ZINC000096263340 570226651 /nfs/dbraw/zinc/22/66/51/570226651.db2.gz FYAILZQNKADSCE-UHFFFAOYSA-N 1 2 383.496 2.525 40 0 GFABLO CCNC(=O)N1CCC2(CC1)c1ncc(-c3ccc(OC)cc3)n1CC[N@@H+]2C ZINC000096263340 570226653 /nfs/dbraw/zinc/22/66/53/570226653.db2.gz FYAILZQNKADSCE-UHFFFAOYSA-N 1 2 383.496 2.525 40 0 GFABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000005518873 570262432 /nfs/dbraw/zinc/26/24/32/570262432.db2.gz NMGOVUSWQPVCMX-HAGHYFMRSA-N 1 2 390.439 2.530 40 0 GFABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000005518873 570262433 /nfs/dbraw/zinc/26/24/33/570262433.db2.gz NMGOVUSWQPVCMX-HAGHYFMRSA-N 1 2 390.439 2.530 40 0 GFABLO CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149761 570447269 /nfs/dbraw/zinc/44/72/69/570447269.db2.gz OJXYCXAAXXSPCN-PMACEKPBSA-N 1 2 399.564 2.769 40 0 GFABLO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCN(c2ccccc2F)CC1 ZINC000044900363 570640037 /nfs/dbraw/zinc/64/00/37/570640037.db2.gz UKKCZQXYAIDRSZ-UHFFFAOYSA-N 1 2 383.467 2.620 40 0 GFABLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000013681849 570773357 /nfs/dbraw/zinc/77/33/57/570773357.db2.gz RYQUPXWXSYUXCQ-UHFFFAOYSA-N 1 2 398.488 2.812 40 0 GFABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257281191 570774814 /nfs/dbraw/zinc/77/48/14/570774814.db2.gz OOBQQGMUCGVQHE-GMAHTHKFSA-N 1 2 396.487 2.820 40 0 GFABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257281191 570774818 /nfs/dbraw/zinc/77/48/18/570774818.db2.gz OOBQQGMUCGVQHE-GMAHTHKFSA-N 1 2 396.487 2.820 40 0 GFABLO CSc1ccc([C@H]2[NH+]=C(NCc3ccccn3)Nc3nc(C)cc(=O)n32)cc1 ZINC000014607553 570893539 /nfs/dbraw/zinc/89/35/39/570893539.db2.gz IPJRTDIIOGJXBC-SFHVURJKSA-N 1 2 392.488 2.787 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccsc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306124594 570936177 /nfs/dbraw/zinc/93/61/77/570936177.db2.gz BTZKUSIZPJZWOB-MJGOQNOKSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306124594 570936181 /nfs/dbraw/zinc/93/61/81/570936181.db2.gz BTZKUSIZPJZWOB-MJGOQNOKSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124931 570936273 /nfs/dbraw/zinc/93/62/73/570936273.db2.gz CCNFSACTTOBDFD-PKOBYXMFSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124931 570936277 /nfs/dbraw/zinc/93/62/77/570936277.db2.gz CCNFSACTTOBDFD-PKOBYXMFSA-N 1 2 385.514 2.904 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306132870 570940282 /nfs/dbraw/zinc/94/02/82/570940282.db2.gz LUYHEHQKHBSJSK-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306132870 570940285 /nfs/dbraw/zinc/94/02/85/570940285.db2.gz LUYHEHQKHBSJSK-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306134794 570941628 /nfs/dbraw/zinc/94/16/28/570941628.db2.gz NYGNJMBTRGPDDZ-UHFFFAOYSA-N 1 2 395.438 2.754 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306134794 570941631 /nfs/dbraw/zinc/94/16/31/570941631.db2.gz NYGNJMBTRGPDDZ-UHFFFAOYSA-N 1 2 395.438 2.754 40 0 GFABLO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285851 570969547 /nfs/dbraw/zinc/96/95/47/570969547.db2.gz DWXXJOVZWMPEIR-MLGOLLRUSA-N 1 2 386.525 2.955 40 0 GFABLO CCn1c(C)[nH+]c2cc(NC(=O)C[C@@H]3NC(=O)N(C4CCCCC4)C3=O)ccc21 ZINC000019656476 571023391 /nfs/dbraw/zinc/02/33/91/571023391.db2.gz BAZAFFWPNNTRCB-KRWDZBQOSA-N 1 2 397.479 2.946 40 0 GFABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000019659107 571025084 /nfs/dbraw/zinc/02/50/84/571025084.db2.gz AYPKYQUXCMKWGB-KRWDZBQOSA-N 1 2 396.447 2.649 40 0 GFABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000019659107 571025086 /nfs/dbraw/zinc/02/50/86/571025086.db2.gz AYPKYQUXCMKWGB-KRWDZBQOSA-N 1 2 396.447 2.649 40 0 GFABLO COc1cc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc(OC)c1OC ZINC000225214891 222671114 /nfs/dbraw/zinc/67/11/14/222671114.db2.gz DHYGGHVJEVGSST-UHFFFAOYSA-N 1 2 391.493 2.820 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529803 221202981 /nfs/dbraw/zinc/20/29/81/221202981.db2.gz OEEKLLNSTUMASQ-HOTGVXAUSA-N 1 2 383.839 2.960 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)c2cccnc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529803 221202983 /nfs/dbraw/zinc/20/29/83/221202983.db2.gz OEEKLLNSTUMASQ-HOTGVXAUSA-N 1 2 383.839 2.960 40 0 biogenic,in-vitro GFABLO CC(C)C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCN(c2ncccn2)CC1 ZINC000057681200 136153901 /nfs/dbraw/zinc/15/39/01/136153901.db2.gz VHBGOIPNHRPESU-SFHVURJKSA-N 1 2 384.532 2.878 40 0 GFABLO COc1cc2cc(C[NH2+]c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2cc1OC ZINC000072396089 136169094 /nfs/dbraw/zinc/16/90/94/136169094.db2.gz YGUJLPWGCZJIAJ-UHFFFAOYSA-N 1 2 395.459 2.994 40 0 GFABLO CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1 ZINC000120799501 136192411 /nfs/dbraw/zinc/19/24/11/136192411.db2.gz JDWBBUDHWOFNDO-UHFFFAOYSA-N 1 2 394.518 2.881 40 0 GFABLO O=S(=O)(c1cccc(Cl)c1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038556330 221883188 /nfs/dbraw/zinc/88/31/88/221883188.db2.gz QRTVPKKKUZFQNB-UHFFFAOYSA-N 1 2 376.869 2.727 40 0 GFABLO COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000225377681 534047496 /nfs/dbraw/zinc/04/74/96/534047496.db2.gz QOFLUHQBMOHLBO-UHFFFAOYSA-N 1 2 393.399 2.757 40 0 GFABLO CC(C)Nc1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ncccn1)CC2 ZINC000096260474 570225802 /nfs/dbraw/zinc/22/58/02/570225802.db2.gz ITCIWLXLKQMTLS-UHFFFAOYSA-N 1 2 380.496 2.533 40 0 GFABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c(C)c1 ZINC000020635687 570273490 /nfs/dbraw/zinc/27/34/90/570273490.db2.gz IYQCCGNJCVHELO-CQSZACIVSA-N 1 2 394.479 2.730 40 0 GFABLO O=C(Cc1ccc2c(c1)OCCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022250980 570310552 /nfs/dbraw/zinc/31/05/52/570310552.db2.gz LVQZAJAGOPAOCV-QPJJXVBHSA-N 1 2 378.472 2.858 40 0 GFABLO Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223125255 570445069 /nfs/dbraw/zinc/44/50/69/570445069.db2.gz UPYIGIVFUPXPMH-IAGOWNOFSA-N 1 2 388.562 2.756 40 0 GFABLO Cc1cncc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257287364 570775963 /nfs/dbraw/zinc/77/59/63/570775963.db2.gz PPPJSAQYZLHZFS-HXUWFJFHSA-N 1 2 389.883 2.569 40 0 GFABLO Cc1cncc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1 ZINC000257287364 570775964 /nfs/dbraw/zinc/77/59/64/570775964.db2.gz PPPJSAQYZLHZFS-HXUWFJFHSA-N 1 2 389.883 2.569 40 0 GFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)C[C@]12CCCO2 ZINC000257333800 570783504 /nfs/dbraw/zinc/78/35/04/570783504.db2.gz YDCBINMSTMRKKL-OXQOHEQNSA-N 1 2 387.505 2.937 40 0 GFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccccc3)c(C)s2)C[C@]12CCCO2 ZINC000257333800 570783505 /nfs/dbraw/zinc/78/35/05/570783505.db2.gz YDCBINMSTMRKKL-OXQOHEQNSA-N 1 2 387.505 2.937 40 0 GFABLO CSc1ccc([C@@H]2[NH+]=C(NCc3ccccn3)Nc3nc(C)cc(=O)n32)cc1 ZINC000014607552 570893610 /nfs/dbraw/zinc/89/36/10/570893610.db2.gz IPJRTDIIOGJXBC-GOSISDBHSA-N 1 2 392.488 2.787 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccsc4)C[C@H]2S3(=O)=O)cn1 ZINC000306124595 570936151 /nfs/dbraw/zinc/93/61/51/570936151.db2.gz BTZKUSIZPJZWOB-PKOBYXMFSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccsc4)C[C@H]2S3(=O)=O)cn1 ZINC000306124595 570936155 /nfs/dbraw/zinc/93/61/55/570936155.db2.gz BTZKUSIZPJZWOB-PKOBYXMFSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1nccc1C(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306129400 570938865 /nfs/dbraw/zinc/93/88/65/570938865.db2.gz IBZUDSDBGIYAIQ-FQEVSTJZSA-N 1 2 398.470 2.848 40 0 GFABLO Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@@H](C)n3cc[nH+]c3)n2)cc1 ZINC000019211120 570960403 /nfs/dbraw/zinc/96/04/03/570960403.db2.gz YBMAQKSZFKPEQM-CYBMUJFWSA-N 1 2 390.490 2.822 40 0 GFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[nH]2)C1 ZINC000019344270 570977521 /nfs/dbraw/zinc/97/75/21/570977521.db2.gz FASMSMOJLHIYSN-OAHLLOKOSA-N 1 2 397.504 2.881 40 0 GFABLO Cc1cccc([C@@H]([C@@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)c1 ZINC000019366162 570980146 /nfs/dbraw/zinc/98/01/46/570980146.db2.gz ITRIZILBESUUJP-GOTSBHOMSA-N 1 2 394.515 2.952 40 0 GFABLO Cc1cccc([C@H]([C@@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)c1 ZINC000019366163 570980221 /nfs/dbraw/zinc/98/02/21/570980221.db2.gz ITRIZILBESUUJP-PKTZIBPZSA-N 1 2 394.515 2.952 40 0 GFABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000019533382 570999855 /nfs/dbraw/zinc/99/98/55/570999855.db2.gz ZBFRTMMKPMBZJS-UHFFFAOYSA-N 1 2 382.508 2.963 40 0 GFABLO CCOc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000019533382 570999857 /nfs/dbraw/zinc/99/98/57/570999857.db2.gz ZBFRTMMKPMBZJS-UHFFFAOYSA-N 1 2 382.508 2.963 40 0 GFABLO COc1cc(C[NH+]2CCN(C(=O)C3[C@@H]4CCCC[C@H]34)CC2)cc(OC)c1OC ZINC000019549809 571000418 /nfs/dbraw/zinc/00/04/18/571000418.db2.gz JIAYDAIMXLLOBF-XEWABKELSA-N 1 2 388.508 2.793 40 0 GFABLO COc1ccc2nc(C[N@@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)ccc2c1 ZINC000019563703 571006348 /nfs/dbraw/zinc/00/63/48/571006348.db2.gz YWCOMFIXSVCSLL-UHFFFAOYSA-N 1 2 399.454 2.947 40 0 GFABLO COc1ccc2nc(C[N@H+]3CCc4c(nc(-c5ccccn5)[nH]c4=O)C3)ccc2c1 ZINC000019563703 571006351 /nfs/dbraw/zinc/00/63/51/571006351.db2.gz YWCOMFIXSVCSLL-UHFFFAOYSA-N 1 2 399.454 2.947 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCCC[N@H+]4C)n3CC1)CCCC2 ZINC000019706446 571032425 /nfs/dbraw/zinc/03/24/25/571032425.db2.gz RHYRJPLGNBDBQM-QGZVFWFLSA-N 1 2 397.523 2.914 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCCC[N@@H+]4C)n3CC1)CCCC2 ZINC000019706446 571032427 /nfs/dbraw/zinc/03/24/27/571032427.db2.gz RHYRJPLGNBDBQM-QGZVFWFLSA-N 1 2 397.523 2.914 40 0 GFABLO OCCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328964259 571047648 /nfs/dbraw/zinc/04/76/48/571047648.db2.gz BUIJKBAPORAVFP-UHFFFAOYSA-N 1 2 388.777 2.898 40 0 GFABLO Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000408554929 231059322 /nfs/dbraw/zinc/05/93/22/231059322.db2.gz GJSHRSBNWCBIBN-UHFFFAOYSA-N 1 2 376.913 2.972 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000012122789 221155923 /nfs/dbraw/zinc/15/59/23/221155923.db2.gz HCBKWVGDMLJBIR-UHFFFAOYSA-N 1 2 384.443 2.988 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000012122789 221155927 /nfs/dbraw/zinc/15/59/27/221155927.db2.gz HCBKWVGDMLJBIR-UHFFFAOYSA-N 1 2 384.443 2.988 40 0 GFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2nc3ccccc3[nH]2)C1 ZINC000012145812 221158547 /nfs/dbraw/zinc/15/85/47/221158547.db2.gz DXSPWLXDIFPLRL-HNNXBMFYSA-N 1 2 388.475 2.982 40 0 GFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)N(Cc2[nH]cc[nH+]2)C1 ZINC000015674175 221338747 /nfs/dbraw/zinc/33/87/47/221338747.db2.gz KALTVGVBROTQRN-OLZOCXBDSA-N 1 2 379.342 2.786 40 0 biogenic,in-vitro GFABLO CN1CC[C@]2(C[C@H](NC(=O)CCCn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000072327815 222228667 /nfs/dbraw/zinc/22/86/67/222228667.db2.gz FQIKMYFASMJHHR-AVRDEDQJSA-N 1 2 396.491 2.684 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080565 222376990 /nfs/dbraw/zinc/37/69/90/222376990.db2.gz LTIICTDNKUPHIX-PKOBYXMFSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080565 222376994 /nfs/dbraw/zinc/37/69/94/222376994.db2.gz LTIICTDNKUPHIX-PKOBYXMFSA-N 1 2 376.909 2.986 40 0 GFABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc[nH]cc-4n3)C2)cc1 ZINC000096112127 222381857 /nfs/dbraw/zinc/38/18/57/222381857.db2.gz PXKKCFDQPGUEOB-APWZRJJASA-N 1 2 383.427 2.655 40 0 biogenic,in-vitro GFABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc[nH]cc-4n3)C2)cc1 ZINC000096112127 222381863 /nfs/dbraw/zinc/38/18/63/222381863.db2.gz PXKKCFDQPGUEOB-APWZRJJASA-N 1 2 383.427 2.655 40 0 biogenic,in-vitro GFABLO Cc1cc(C)nc(N2CCC(CC(=O)N[C@H](c3[nH+]ccn3C)C3CC3)CC2)n1 ZINC000019748758 570214672 /nfs/dbraw/zinc/21/46/72/570214672.db2.gz BLDFXGKTZXVNPH-IBGZPJMESA-N 1 2 382.512 2.701 40 0 GFABLO COc1ccc(OC[C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000019931765 570230691 /nfs/dbraw/zinc/23/06/91/570230691.db2.gz XTTBBGCRMWGMOA-KRWDZBQOSA-N 1 2 384.476 2.725 40 0 GFABLO CCCNC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020451241 570257217 /nfs/dbraw/zinc/25/72/17/570257217.db2.gz QOURILWTGXHCFA-UHFFFAOYSA-N 1 2 381.476 2.911 40 0 GFABLO COc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000408577615 570343369 /nfs/dbraw/zinc/34/33/69/570343369.db2.gz UAXJBGJCEBZTQB-UHFFFAOYSA-N 1 2 386.517 2.872 40 0 GFABLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000035144945 570348201 /nfs/dbraw/zinc/34/82/01/570348201.db2.gz NMGOVUSWQPVCMX-WCIQWLHISA-N 1 2 390.439 2.530 40 0 GFABLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000035144945 570348203 /nfs/dbraw/zinc/34/82/03/570348203.db2.gz NMGOVUSWQPVCMX-WCIQWLHISA-N 1 2 390.439 2.530 40 0 GFABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1CCC[NH+]1CCOCC1 ZINC000223167747 570447725 /nfs/dbraw/zinc/44/77/25/570447725.db2.gz UORXBURSLLEINS-ZWKOTPCHSA-N 1 2 388.562 2.838 40 0 GFABLO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225635269 570596991 /nfs/dbraw/zinc/59/69/91/570596991.db2.gz OSBUCMGWVPKRSY-DYESRHJHSA-N 1 2 376.497 2.931 40 0 GFABLO COC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC(C)CC1 ZINC000225640330 570597391 /nfs/dbraw/zinc/59/73/91/570597391.db2.gz CHNILZZFEDEZEB-UHFFFAOYSA-N 1 2 376.497 2.931 40 0 GFABLO COCCn1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670086 570702842 /nfs/dbraw/zinc/70/28/42/570702842.db2.gz CZMKBOOWGOBUQG-HXUWFJFHSA-N 1 2 386.544 2.846 40 0 GFABLO Cc1[nH+]cc(-c2ccc(C[C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)cn2)n1C ZINC000257205000 570760740 /nfs/dbraw/zinc/76/07/40/570760740.db2.gz AXFASSPCHXELCV-SFHVURJKSA-N 1 2 390.491 2.984 40 0 GFABLO CCc1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019522908 570928370 /nfs/dbraw/zinc/92/83/70/570928370.db2.gz QDZGZVHOJNCGAX-UHFFFAOYSA-N 1 2 382.460 2.701 40 0 GFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000585111248 570945624 /nfs/dbraw/zinc/94/56/24/570945624.db2.gz LBEQBGNYAYCEFK-UHFFFAOYSA-N 1 2 391.427 2.986 40 0 GFABLO O=C(c1ccc(F)cc1)N1CCCc2cc([C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000019332053 570975454 /nfs/dbraw/zinc/97/54/54/570975454.db2.gz ISLOZJLDGBVWKL-NRFANRHFSA-N 1 2 384.451 2.784 40 0 GFABLO Cc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365936 570980215 /nfs/dbraw/zinc/98/02/15/570980215.db2.gz GPBMMKKNJWTVGV-PKTZIBPZSA-N 1 2 394.515 2.952 40 0 GFABLO C[C@@H]1CCCN(c2ncc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cn2)C1 ZINC000019496641 570990102 /nfs/dbraw/zinc/99/01/02/570990102.db2.gz HRUKHVXYNJYJHI-YLJYHZDGSA-N 1 2 379.508 2.842 40 0 GFABLO C[C@@H]1CCCN(c2ncc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cn2)C1 ZINC000019496641 570990103 /nfs/dbraw/zinc/99/01/03/570990103.db2.gz HRUKHVXYNJYJHI-YLJYHZDGSA-N 1 2 379.508 2.842 40 0 GFABLO COc1cccc(C[N@H+]2CCc3nc4ccc(F)cc4c(=O)n3CC2)c1OC ZINC000019568082 571008745 /nfs/dbraw/zinc/00/87/45/571008745.db2.gz OZXRNTPSNMBKLJ-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO COc1cccc(C[N@@H+]2CCc3nc4ccc(F)cc4c(=O)n3CC2)c1OC ZINC000019568082 571008747 /nfs/dbraw/zinc/00/87/47/571008747.db2.gz OZXRNTPSNMBKLJ-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)n[nH]2)c(OC)c1 ZINC000019662666 571026569 /nfs/dbraw/zinc/02/65/69/571026569.db2.gz LIHRVLFIWSVJCG-UHFFFAOYSA-N 1 2 399.476 2.791 40 0 GFABLO COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)n[nH]2)c(OC)c1 ZINC000019662666 571026571 /nfs/dbraw/zinc/02/65/71/571026571.db2.gz LIHRVLFIWSVJCG-UHFFFAOYSA-N 1 2 399.476 2.791 40 0 GFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000012116420 221151753 /nfs/dbraw/zinc/15/17/53/221151753.db2.gz ZOGQBZVLGOEVGH-MRXNPFEDSA-N 1 2 392.459 2.835 40 0 GFABLO CC[N@@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)c1ccsc1)CC2 ZINC000096230359 136185386 /nfs/dbraw/zinc/18/53/86/136185386.db2.gz UOBQNBLCBFVXRO-UHFFFAOYSA-N 1 2 398.532 2.795 40 0 GFABLO CC[N@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)c1ccsc1)CC2 ZINC000096230359 136185387 /nfs/dbraw/zinc/18/53/87/136185387.db2.gz UOBQNBLCBFVXRO-UHFFFAOYSA-N 1 2 398.532 2.795 40 0 GFABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)ccn1 ZINC000035424811 560080412 /nfs/dbraw/zinc/08/04/12/560080412.db2.gz NIMXIIKBMDYCOB-KRWDZBQOSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)ccn1 ZINC000035424811 560080414 /nfs/dbraw/zinc/08/04/14/560080414.db2.gz NIMXIIKBMDYCOB-KRWDZBQOSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000035424909 560080476 /nfs/dbraw/zinc/08/04/76/560080476.db2.gz QLMJTSSIDGSKIB-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000035424909 560080477 /nfs/dbraw/zinc/08/04/77/560080477.db2.gz QLMJTSSIDGSKIB-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COc1cc2c(cc1OC)[C@@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)[N@H+](C)CC2 ZINC000030726823 560090760 /nfs/dbraw/zinc/09/07/60/560090760.db2.gz SZDGAZFTAUFFQH-OALUTQOASA-N 1 2 383.400 2.873 40 0 biogenic,in-vitro GFABLO COc1cc2c(cc1OC)[C@@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)[N@@H+](C)CC2 ZINC000030726823 560090762 /nfs/dbraw/zinc/09/07/62/560090762.db2.gz SZDGAZFTAUFFQH-OALUTQOASA-N 1 2 383.400 2.873 40 0 biogenic,in-vitro GFABLO COc1ccc([C@H](C)n2c[nH+]cc2-c2cnc(N3CCOCC3)nc2)cc1OC ZINC000019719352 570210593 /nfs/dbraw/zinc/21/05/93/570210593.db2.gz YSFYJYUKJVNOHL-HNNXBMFYSA-N 1 2 395.463 2.803 40 0 GFABLO Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN2C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000585291189 570259896 /nfs/dbraw/zinc/25/98/96/570259896.db2.gz LLRNVOGFYPUJEI-RTRPANQVSA-N 1 2 375.436 2.942 40 0 GFABLO C[NH+]1CCN(c2ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn2)CC1 ZINC000072216562 570317283 /nfs/dbraw/zinc/31/72/83/570317283.db2.gz KLFNNVRLNAUHGR-UHFFFAOYSA-N 1 2 376.501 2.711 40 0 GFABLO C[NH+]1CCN(c2ncccc2C(=O)CCCCNC(=O)OC(C)(C)C)CC1 ZINC000072216622 570317554 /nfs/dbraw/zinc/31/75/54/570317554.db2.gz OSWMGOZIEVHFDC-UHFFFAOYSA-N 1 2 376.501 2.711 40 0 GFABLO O=C(c1cnn(-c2ccccc2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026539915 570426668 /nfs/dbraw/zinc/42/66/68/570426668.db2.gz PKCCFYRFRCMHAU-UHFFFAOYSA-N 1 2 390.443 2.559 40 0 GFABLO C[NH+]1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1 ZINC000026440021 570463145 /nfs/dbraw/zinc/46/31/45/570463145.db2.gz HREIKKXJPLMXNN-UHFFFAOYSA-N 1 2 378.904 2.938 40 0 GFABLO O=C1CCCN1C[C@H]1Cn2nccc2C[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000247813216 570716002 /nfs/dbraw/zinc/71/60/02/570716002.db2.gz CDFKDGHGVQDQEO-HNNXBMFYSA-N 1 2 376.863 2.930 40 0 GFABLO O=C1CCCN1C[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000247813216 570716005 /nfs/dbraw/zinc/71/60/05/570716005.db2.gz CDFKDGHGVQDQEO-HNNXBMFYSA-N 1 2 376.863 2.930 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccc(C)nc4)C3)n2)n1C ZINC000257267641 570773151 /nfs/dbraw/zinc/77/31/51/570773151.db2.gz MIFNACMMMLKXIT-KRWDZBQOSA-N 1 2 390.491 2.984 40 0 GFABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000019445945 570925785 /nfs/dbraw/zinc/92/57/85/570925785.db2.gz RQSJSDXNYDMBSK-LJQANCHMSA-N 1 2 386.544 2.952 40 0 GFABLO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2)N1CCCC1 ZINC000585102227 570927007 /nfs/dbraw/zinc/92/70/07/570927007.db2.gz UOHBYWDTXDDVES-HXUWFJFHSA-N 1 2 393.890 2.782 40 0 GFABLO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2)N1CCCC1 ZINC000585102227 570927010 /nfs/dbraw/zinc/92/70/10/570927010.db2.gz UOHBYWDTXDDVES-HXUWFJFHSA-N 1 2 393.890 2.782 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131473 570939986 /nfs/dbraw/zinc/93/99/86/570939986.db2.gz KFRZZVZGJFVCEY-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306131473 570939987 /nfs/dbraw/zinc/93/99/87/570939987.db2.gz KFRZZVZGJFVCEY-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(F)cc2OC)CC3)ccn1 ZINC000585111644 570942479 /nfs/dbraw/zinc/94/24/79/570942479.db2.gz ZBUIYRXSXZLKDN-UHFFFAOYSA-N 1 2 396.422 2.800 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306142264 570945969 /nfs/dbraw/zinc/94/59/69/570945969.db2.gz WUTPUHDZZFYURA-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306142264 570945973 /nfs/dbraw/zinc/94/59/73/570945973.db2.gz WUTPUHDZZFYURA-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO COCC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143297 570946326 /nfs/dbraw/zinc/94/63/26/570946326.db2.gz XYBZVRCLZGGZAP-RBBKRZOGSA-N 1 2 399.491 2.618 40 0 GFABLO COCC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143297 570946331 /nfs/dbraw/zinc/94/63/31/570946331.db2.gz XYBZVRCLZGGZAP-RBBKRZOGSA-N 1 2 399.491 2.618 40 0 GFABLO O=C1c2c(C[NH2+]Cc3cccc(Cl)c3)nnn2CCN1CCc1ccccc1 ZINC000306145106 570947044 /nfs/dbraw/zinc/94/70/44/570947044.db2.gz ZYGSJDRCILVIAP-UHFFFAOYSA-N 1 2 395.894 2.920 40 0 GFABLO COc1cc(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc(OC)c1 ZINC000019239047 570968278 /nfs/dbraw/zinc/96/82/78/570968278.db2.gz FIGLHUDUCSNUHI-UHFFFAOYSA-N 1 2 393.447 2.523 40 0 GFABLO COc1cc(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc(OC)c1 ZINC000019239047 570968283 /nfs/dbraw/zinc/96/82/83/570968283.db2.gz FIGLHUDUCSNUHI-UHFFFAOYSA-N 1 2 393.447 2.523 40 0 GFABLO CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448069 570984563 /nfs/dbraw/zinc/98/45/63/570984563.db2.gz QDUOPFMKJLOZNW-MRXNPFEDSA-N 1 2 397.523 2.708 40 0 GFABLO CC(C)[N@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448069 570984564 /nfs/dbraw/zinc/98/45/64/570984564.db2.gz QDUOPFMKJLOZNW-MRXNPFEDSA-N 1 2 397.523 2.708 40 0 GFABLO Cc1nn(CCC(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)c(C)c1C ZINC000019557110 571003976 /nfs/dbraw/zinc/00/39/76/571003976.db2.gz XCYVKLDPKNMRRQ-UHFFFAOYSA-N 1 2 388.487 2.561 40 0 GFABLO Cc1nc2cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)ccc2n1-c1ccccc1 ZINC000019657180 571023756 /nfs/dbraw/zinc/02/37/56/571023756.db2.gz WWRRKUGWKCMKJT-INIZCTEOSA-N 1 2 378.476 2.784 40 0 GFABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000019659109 571024801 /nfs/dbraw/zinc/02/48/01/571024801.db2.gz AYPKYQUXCMKWGB-QGZVFWFLSA-N 1 2 396.447 2.649 40 0 GFABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000019659109 571024803 /nfs/dbraw/zinc/02/48/03/571024803.db2.gz AYPKYQUXCMKWGB-QGZVFWFLSA-N 1 2 396.447 2.649 40 0 GFABLO CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)C1=O ZINC000019665692 571027504 /nfs/dbraw/zinc/02/75/04/571027504.db2.gz LSBOGNANRYWGIZ-UHFFFAOYSA-N 1 2 385.468 2.910 40 0 GFABLO CNc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328992571 212092035 /nfs/dbraw/zinc/09/20/35/212092035.db2.gz IXADKRZTMFGBOY-UHFFFAOYSA-N 1 2 389.381 2.977 40 0 GFABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096051309 136183452 /nfs/dbraw/zinc/18/34/52/136183452.db2.gz YXRPDPVBLVDPKI-NRFANRHFSA-N 1 2 388.414 2.599 40 0 GFABLO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096051309 136183453 /nfs/dbraw/zinc/18/34/53/136183453.db2.gz YXRPDPVBLVDPKI-NRFANRHFSA-N 1 2 388.414 2.599 40 0 GFABLO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380541 222245904 /nfs/dbraw/zinc/24/59/04/222245904.db2.gz BRKRDJGNNGQUJH-MRXNPFEDSA-N 1 2 388.899 2.915 40 0 GFABLO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380541 222245910 /nfs/dbraw/zinc/24/59/10/222245910.db2.gz BRKRDJGNNGQUJH-MRXNPFEDSA-N 1 2 388.899 2.915 40 0 GFABLO CCCC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000072398790 222254249 /nfs/dbraw/zinc/25/42/49/222254249.db2.gz KDNFGEKXEKQWQB-QGZVFWFLSA-N 1 2 386.521 2.853 40 0 GFABLO CCCC(=O)N1CCc2nc([C@H]3CCC[N@H+]3Cc3ccsc3)[nH]c(=O)c2C1 ZINC000072398790 222254252 /nfs/dbraw/zinc/25/42/52/222254252.db2.gz KDNFGEKXEKQWQB-QGZVFWFLSA-N 1 2 386.521 2.853 40 0 GFABLO CCn1c(COc2ccc(Cl)cc2)nnc1SCC[NH+]1CCOCC1 ZINC000019524207 551114588 /nfs/dbraw/zinc/11/45/88/551114588.db2.gz BCDVFXMBMNJNHD-UHFFFAOYSA-N 1 2 382.917 2.955 40 0 GFABLO CNc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329021779 570213378 /nfs/dbraw/zinc/21/33/78/570213378.db2.gz OJINPPRJFJBWIC-UHFFFAOYSA-N 1 2 389.381 2.977 40 0 GFABLO Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(F)ccc21 ZINC000022236407 570309158 /nfs/dbraw/zinc/30/91/58/570309158.db2.gz ZKJLKPCBICINDC-UHFFFAOYSA-N 1 2 379.435 2.636 40 0 GFABLO COc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022388044 570315592 /nfs/dbraw/zinc/31/55/92/570315592.db2.gz UCMQKMWNVSSUHF-UHFFFAOYSA-N 1 2 385.489 2.654 40 0 GFABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(N2CCCC2=O)c1 ZINC000023762685 570371984 /nfs/dbraw/zinc/37/19/84/570371984.db2.gz VRPDFIJZWPGMMX-UHFFFAOYSA-N 1 2 393.487 2.576 40 0 GFABLO Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223125191 570445177 /nfs/dbraw/zinc/44/51/77/570445177.db2.gz UPYIGIVFUPXPMH-SJORKVTESA-N 1 2 388.562 2.756 40 0 GFABLO CCn1c2ccccc2nc1N1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000035291807 570461092 /nfs/dbraw/zinc/46/10/92/570461092.db2.gz XWZCWCCSPUIRFK-UHFFFAOYSA-N 1 2 393.491 2.826 40 0 GFABLO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCn1cc[nH+]c1 ZINC000224729042 570527491 /nfs/dbraw/zinc/52/74/91/570527491.db2.gz CXYQOVHUAAKVOH-RGEXLXHISA-N 1 2 378.432 2.762 40 0 GFABLO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000225220870 570557732 /nfs/dbraw/zinc/55/77/32/570557732.db2.gz OROBSEIGQRGGMI-UHFFFAOYSA-N 1 2 399.516 2.622 40 0 GFABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000001224817 570565488 /nfs/dbraw/zinc/56/54/88/570565488.db2.gz PDGGJPCSRICZTB-IBGZPJMESA-N 1 2 394.479 2.824 40 0 GFABLO OC1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnnn1Cc1ccccc1 ZINC000012113139 570609193 /nfs/dbraw/zinc/60/91/93/570609193.db2.gz CNLDSZHUORCCES-RLAPIPATSA-N 1 2 393.466 2.875 40 0 GFABLO OC1(c2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnnn1Cc1ccccc1 ZINC000012113139 570609198 /nfs/dbraw/zinc/60/91/98/570609198.db2.gz CNLDSZHUORCCES-RLAPIPATSA-N 1 2 393.466 2.875 40 0 GFABLO CC(C)c1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000044241753 570632531 /nfs/dbraw/zinc/63/25/31/570632531.db2.gz BPHQLNKHXBJACE-UHFFFAOYSA-N 1 2 384.553 2.709 40 0 GFABLO Cc1ccc(CCNC(=O)[C@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000257250851 570770048 /nfs/dbraw/zinc/77/00/48/570770048.db2.gz JOHTXWOXMSFDSW-HXUWFJFHSA-N 1 2 388.537 2.631 40 0 GFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@]12CCCO2 ZINC000257254721 570771048 /nfs/dbraw/zinc/77/10/48/570771048.db2.gz KEJKRIYJPSONIX-YLJYHZDGSA-N 1 2 387.505 2.937 40 0 GFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@]12CCCO2 ZINC000257254721 570771050 /nfs/dbraw/zinc/77/10/50/570771050.db2.gz KEJKRIYJPSONIX-YLJYHZDGSA-N 1 2 387.505 2.937 40 0 GFABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NCc3cccs3)C2)c1 ZINC000585095913 570922476 /nfs/dbraw/zinc/92/24/76/570922476.db2.gz BDDCKYDEJVKNIW-GOSISDBHSA-N 1 2 380.473 2.767 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306130329 570939422 /nfs/dbraw/zinc/93/94/22/570939422.db2.gz JCSLSIUEWSFNRL-UHFFFAOYSA-N 1 2 383.477 2.677 40 0 GFABLO C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306130329 570939423 /nfs/dbraw/zinc/93/94/23/570939423.db2.gz JCSLSIUEWSFNRL-UHFFFAOYSA-N 1 2 383.477 2.677 40 0 GFABLO Cc1ccsc1C(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306135954 570942511 /nfs/dbraw/zinc/94/25/11/570942511.db2.gz PFCQEFJFIUKXCQ-UHFFFAOYSA-N 1 2 397.504 2.985 40 0 GFABLO Cc1ccsc1C(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306135954 570942513 /nfs/dbraw/zinc/94/25/13/570942513.db2.gz PFCQEFJFIUKXCQ-UHFFFAOYSA-N 1 2 397.504 2.985 40 0 GFABLO Cn1nccc1C(=O)N1CCC2(CCc3[nH+]cc(-c4ccncc4)n3C2)CC1 ZINC000306140776 570944880 /nfs/dbraw/zinc/94/48/80/570944880.db2.gz VDTFCFBHXDVOJF-UHFFFAOYSA-N 1 2 376.464 2.547 40 0 GFABLO CCOCC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306145124 570946775 /nfs/dbraw/zinc/94/67/75/570946775.db2.gz ZYVFVHNAZQMUCH-FQEVSTJZSA-N 1 2 376.460 2.837 40 0 GFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000019500400 570992419 /nfs/dbraw/zinc/99/24/19/570992419.db2.gz ZDECVRHBCDVPOX-CQSZACIVSA-N 1 2 377.485 2.719 40 0 GFABLO CCCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019501301 570993032 /nfs/dbraw/zinc/99/30/32/570993032.db2.gz NFJLBWUMWDHASC-HNNXBMFYSA-N 1 2 385.512 2.708 40 0 GFABLO CCCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019501301 570993035 /nfs/dbraw/zinc/99/30/35/570993035.db2.gz NFJLBWUMWDHASC-HNNXBMFYSA-N 1 2 385.512 2.708 40 0 GFABLO COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588924 571016185 /nfs/dbraw/zinc/01/61/85/571016185.db2.gz OXDSVDJKPVDTOX-FQEVSTJZSA-N 1 2 380.492 2.769 40 0 GFABLO COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588924 571016188 /nfs/dbraw/zinc/01/61/88/571016188.db2.gz OXDSVDJKPVDTOX-FQEVSTJZSA-N 1 2 380.492 2.769 40 0 GFABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019718310 571041330 /nfs/dbraw/zinc/04/13/30/571041330.db2.gz XIGWRRGKPAZNSB-MRXNPFEDSA-N 1 2 376.460 2.747 40 0 GFABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885468 204087267 /nfs/dbraw/zinc/08/72/67/204087267.db2.gz MOQSAHOVJOVCIP-KEXUJGGDSA-N 1 2 392.455 2.767 40 0 GFABLO COc1cc(CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc(OC)c1OC ZINC000012114898 204373003 /nfs/dbraw/zinc/37/30/03/204373003.db2.gz AVUMTWQIPRNTAL-HXUWFJFHSA-N 1 2 395.459 2.894 40 0 GFABLO COc1ccc(OC)c(C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)c1 ZINC000012187488 204379368 /nfs/dbraw/zinc/37/93/68/204379368.db2.gz LNFWUSMYJWUEIK-LJQANCHMSA-N 1 2 386.496 2.741 40 0 GFABLO COc1ccc(OC)c(C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)c1 ZINC000012187488 204379371 /nfs/dbraw/zinc/37/93/71/204379371.db2.gz LNFWUSMYJWUEIK-LJQANCHMSA-N 1 2 386.496 2.741 40 0 GFABLO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000072378341 205339225 /nfs/dbraw/zinc/33/92/25/205339225.db2.gz RMBHUJYNIHFQEM-FQEVSTJZSA-N 1 2 386.471 2.930 40 0 GFABLO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225671928 206065452 /nfs/dbraw/zinc/06/54/52/206065452.db2.gz DJYWSNFGPDGZFQ-OAQYLSRUSA-N 1 2 376.497 2.931 40 0 GFABLO Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@H](COCC3CCOCC3)C2)s1 ZINC000247814515 206132964 /nfs/dbraw/zinc/13/29/64/206132964.db2.gz BTCYWEJITNZMEP-KRWDZBQOSA-N 1 2 375.494 2.893 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)c(F)c2)C3)C[C@H](C)O1 ZINC000072347271 136168669 /nfs/dbraw/zinc/16/86/69/136168669.db2.gz JSERPIVVJCDGFQ-BETUJISGSA-N 1 2 390.434 2.632 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)c(F)c2)C3)C[C@H](C)O1 ZINC000072347271 136168670 /nfs/dbraw/zinc/16/86/70/136168670.db2.gz JSERPIVVJCDGFQ-BETUJISGSA-N 1 2 390.434 2.632 40 0 GFABLO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000072347970 222234404 /nfs/dbraw/zinc/23/44/04/222234404.db2.gz HGIXGXRUGGDDPF-CQSZACIVSA-N 1 2 392.385 2.900 40 0 GFABLO Cc1cnc(C(=O)N2CCC(Cc3cc(N4CCCC4)nc(C)[nH+]3)CC2)cn1 ZINC000019758499 570216352 /nfs/dbraw/zinc/21/63/52/570216352.db2.gz NSIAGAFTNCJEOK-UHFFFAOYSA-N 1 2 380.496 2.579 40 0 GFABLO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020482979 570261649 /nfs/dbraw/zinc/26/16/49/570261649.db2.gz XUPLDXZGJXDNDB-UHFFFAOYSA-N 1 2 384.461 2.564 40 0 GFABLO COCCn1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670069 570367529 /nfs/dbraw/zinc/36/75/29/570367529.db2.gz LZCYPTNTDQXJKD-FQEVSTJZSA-N 1 2 386.544 2.846 40 0 GFABLO COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000782671 570412874 /nfs/dbraw/zinc/41/28/74/570412874.db2.gz ZAWKHNDPQSAGDT-SFHVURJKSA-N 1 2 396.495 2.854 40 0 GFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCCC1 ZINC000000910839 570518053 /nfs/dbraw/zinc/51/80/53/570518053.db2.gz LGUHCTZHSAFFIV-GOSISDBHSA-N 1 2 396.495 2.854 40 0 GFABLO O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000013557081 570656841 /nfs/dbraw/zinc/65/68/41/570656841.db2.gz DMCLCFCWODYPFH-AKHDSKFASA-N 1 2 396.393 2.800 40 0 GFABLO O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000013557081 570656848 /nfs/dbraw/zinc/65/68/48/570656848.db2.gz DMCLCFCWODYPFH-AKHDSKFASA-N 1 2 396.393 2.800 40 0 GFABLO Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@H]3CCOc4cccc(C)c43)c2[nH+]1 ZINC000034893073 570807375 /nfs/dbraw/zinc/80/73/75/570807375.db2.gz YBHKBMJREUZHOV-KRWDZBQOSA-N 1 2 394.475 2.951 40 0 GFABLO Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c12 ZINC000036611669 570882872 /nfs/dbraw/zinc/88/28/72/570882872.db2.gz FSCAAURACPETLU-UHFFFAOYSA-N 1 2 390.491 2.507 40 0 GFABLO COC(=O)[C@@H](Cc1c[nH+]cn1COCc1ccccc1)NC(=O)OC(C)(C)C ZINC000006493395 570904624 /nfs/dbraw/zinc/90/46/24/570904624.db2.gz OZTSHWHLUGXROY-QGZVFWFLSA-N 1 2 389.452 2.666 40 0 GFABLO C[C@H]1Cc2cc([C@H](O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498026 570990349 /nfs/dbraw/zinc/99/03/49/570990349.db2.gz LRUZEEAIBABYPH-OXJNMPFZSA-N 1 2 396.487 2.590 40 0 GFABLO CCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019531517 570998841 /nfs/dbraw/zinc/99/88/41/570998841.db2.gz FWCGOUJBIDMCIQ-SFHVURJKSA-N 1 2 381.480 2.626 40 0 GFABLO CCOc1ncccc1C(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019531517 570998843 /nfs/dbraw/zinc/99/88/43/570998843.db2.gz FWCGOUJBIDMCIQ-SFHVURJKSA-N 1 2 381.480 2.626 40 0 GFABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1nc2ccc(F)cc2s1 ZINC000019656693 571023859 /nfs/dbraw/zinc/02/38/59/571023859.db2.gz PMYSQXJOJHHESK-UHFFFAOYSA-N 1 2 387.440 2.707 40 0 GFABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000019706162 571031945 /nfs/dbraw/zinc/03/19/45/571031945.db2.gz ZVRBWOYWBOPIAT-GOSISDBHSA-N 1 2 390.491 2.682 40 0 GFABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000019706162 571031947 /nfs/dbraw/zinc/03/19/47/571031947.db2.gz ZVRBWOYWBOPIAT-GOSISDBHSA-N 1 2 390.491 2.682 40 0 GFABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019718309 571041176 /nfs/dbraw/zinc/04/11/76/571041176.db2.gz XIGWRRGKPAZNSB-INIZCTEOSA-N 1 2 376.460 2.747 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000020464213 575366563 /nfs/dbraw/zinc/36/65/63/575366563.db2.gz LHUVAXORLHUIHP-HOTGVXAUSA-N 1 2 382.399 2.838 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000020464213 575366568 /nfs/dbraw/zinc/36/65/68/575366568.db2.gz LHUVAXORLHUIHP-HOTGVXAUSA-N 1 2 382.399 2.838 40 0 biogenic,in-vitro GFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2nc3ccccc3[nH]2)CC1 ZINC000012145795 204375632 /nfs/dbraw/zinc/37/56/32/204375632.db2.gz ZFVRVJJEYBQQDN-UHFFFAOYSA-N 1 2 388.475 2.982 40 0 GFABLO C[C@H]1Cc2cc([C@@H](O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498024 204646604 /nfs/dbraw/zinc/64/66/04/204646604.db2.gz LRUZEEAIBABYPH-JXFKEZNVSA-N 1 2 396.487 2.590 40 0 GFABLO Cc1c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000038850196 205040512 /nfs/dbraw/zinc/04/05/12/205040512.db2.gz FWMXNELCGVLUBL-UHFFFAOYSA-N 1 2 387.443 2.982 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000054363502 205139436 /nfs/dbraw/zinc/13/94/36/205139436.db2.gz VZNUNHOGYGXYSZ-UHFFFAOYSA-N 1 2 388.114 2.692 40 0 GFABLO CC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2Br)CC1 ZINC000054363121 205140469 /nfs/dbraw/zinc/14/04/69/205140469.db2.gz RQZVHCISPWLYJI-UHFFFAOYSA-N 1 2 381.723 2.737 40 0 GFABLO C[C@@H](CC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000072327795 205326751 /nfs/dbraw/zinc/32/67/51/205326751.db2.gz KXGGTRQPRFAFOQ-CECAUBDESA-N 1 2 396.491 2.855 40 0 GFABLO CCSc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000072339836 205327403 /nfs/dbraw/zinc/32/74/03/205327403.db2.gz UCBOMXLLXMNXNV-UHFFFAOYSA-N 1 2 380.477 2.705 40 0 GFABLO CCSc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000072339836 205327409 /nfs/dbraw/zinc/32/74/09/205327409.db2.gz UCBOMXLLXMNXNV-UHFFFAOYSA-N 1 2 380.477 2.705 40 0 GFABLO C[NH+]1CCN(C(=O)c2cc(Cl)c(I)c(Cl)c2)CC1 ZINC000059842960 206101813 /nfs/dbraw/zinc/10/18/13/206101813.db2.gz HBGKDLOOLZUOIZ-UHFFFAOYSA-N 1 2 399.059 2.986 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1C ZINC000257260472 206168424 /nfs/dbraw/zinc/16/84/24/206168424.db2.gz LCZQNBPAIPZTQK-NQIIRXRSSA-N 1 2 380.492 2.918 40 0 GFABLO Nc1cc(-c2cncnc2[C@H]2CCN(C(=O)CCCc3ccccn3)C2)cc[nH+]1 ZINC000257320658 206178593 /nfs/dbraw/zinc/17/85/93/206178593.db2.gz VXTYQGRDMVQXEM-KRWDZBQOSA-N 1 2 388.475 2.855 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1C ZINC000257315818 206178863 /nfs/dbraw/zinc/17/88/63/206178863.db2.gz VCXBPQGPMPWMGE-INIZCTEOSA-N 1 2 376.464 2.675 40 0 GFABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[N@@H+](C)Cc1ccccc1F)C2 ZINC000257326549 206180546 /nfs/dbraw/zinc/18/05/46/206180546.db2.gz WXPUUGWIRGAEAO-ZJDLJICXSA-N 1 2 387.499 2.648 40 0 GFABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[N@H+](C)Cc1ccccc1F)C2 ZINC000257326549 206180549 /nfs/dbraw/zinc/18/05/49/206180549.db2.gz WXPUUGWIRGAEAO-ZJDLJICXSA-N 1 2 387.499 2.648 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)NCc3ccco3)C2)on1 ZINC000012118372 221153408 /nfs/dbraw/zinc/15/34/08/221153408.db2.gz GBEKKFHDWIDDOF-HNNXBMFYSA-N 1 2 381.436 2.529 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)on1 ZINC000012118372 221153410 /nfs/dbraw/zinc/15/34/10/221153410.db2.gz GBEKKFHDWIDDOF-HNNXBMFYSA-N 1 2 381.436 2.529 40 0 GFABLO COc1cccc([C@@H](NS(=O)(=O)c2ccc(C)s2)c2[nH+]ccn2C)c1 ZINC000019217290 551114710 /nfs/dbraw/zinc/11/47/10/551114710.db2.gz JEYAEFRNWAFUHK-MRXNPFEDSA-N 1 2 377.491 2.867 40 0 GFABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)C(Cl)(Cl)Cl ZINC000022402130 551117369 /nfs/dbraw/zinc/11/73/69/551117369.db2.gz PMLUUQLQQKOAEZ-UHFFFAOYSA-N 1 2 396.727 2.702 40 0 GFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1OC ZINC000328982360 570210405 /nfs/dbraw/zinc/21/04/05/570210405.db2.gz GZFQUCBQYDJUCM-AWEZNQCLSA-N 1 2 380.448 2.541 40 0 GFABLO Cc1cc(C)n(CCCn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)n1 ZINC000019719975 570210865 /nfs/dbraw/zinc/21/08/65/570210865.db2.gz MDHQQXVGHCLQGR-UHFFFAOYSA-N 1 2 378.480 2.953 40 0 GFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000329033760 570213802 /nfs/dbraw/zinc/21/38/02/570213802.db2.gz QVVJGLWTQFIGPF-SNVBAGLBSA-N 1 2 382.386 2.762 40 0 GFABLO Cc1ccc2[nH+]cc(-c3cccc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)n3)n2c1 ZINC000585262733 570230526 /nfs/dbraw/zinc/23/05/26/570230526.db2.gz ASYKRDVVZXZALJ-MRXNPFEDSA-N 1 2 399.520 2.691 40 0 GFABLO Cc1nc(Nc2ncccc2C)cc([C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)n1 ZINC000585292185 570261615 /nfs/dbraw/zinc/26/16/15/570261615.db2.gz YCSFSGKXAAHANQ-SQRWCISFSA-N 1 2 389.463 2.984 40 0 GFABLO CCCCN(CCO)c1nc(N(C)C)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057731549 570371648 /nfs/dbraw/zinc/37/16/48/570371648.db2.gz KIASMRNDLMYUSQ-UHFFFAOYSA-N 1 2 383.540 2.700 40 0 GFABLO CCCCN(CCO)c1nc(N(C)C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057731549 570371649 /nfs/dbraw/zinc/37/16/49/570371649.db2.gz KIASMRNDLMYUSQ-UHFFFAOYSA-N 1 2 383.540 2.700 40 0 GFABLO O=C1C[C@@]2(CN1Cc1cncs1)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585103920 570929591 /nfs/dbraw/zinc/92/95/91/570929591.db2.gz VYAFQTQQGCVGDB-LJQANCHMSA-N 1 2 393.459 2.672 40 0 GFABLO O=C1C[C@@]2(CN1Cc1cncs1)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585103920 570929593 /nfs/dbraw/zinc/92/95/93/570929593.db2.gz VYAFQTQQGCVGDB-LJQANCHMSA-N 1 2 393.459 2.672 40 0 GFABLO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000019291275 570971929 /nfs/dbraw/zinc/97/19/29/570971929.db2.gz WOPKKVNVUQGXIT-OAQYLSRUSA-N 1 2 396.466 2.669 40 0 GFABLO Cc1cccc([C@H]([C@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)c1 ZINC000019366166 570980040 /nfs/dbraw/zinc/98/00/40/570980040.db2.gz ITRIZILBESUUJP-DHIUTWEWSA-N 1 2 394.515 2.952 40 0 GFABLO COCCn1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c2ccccc21 ZINC000019594200 571020308 /nfs/dbraw/zinc/02/03/08/571020308.db2.gz MVIJNOPOELDNMF-UHFFFAOYSA-N 1 2 378.476 2.641 40 0 GFABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)c1 ZINC000035425101 204194205 /nfs/dbraw/zinc/19/42/05/204194205.db2.gz LLZFTMNAMJAJSW-SFHVURJKSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)c1 ZINC000035425101 204194207 /nfs/dbraw/zinc/19/42/07/204194207.db2.gz LLZFTMNAMJAJSW-SFHVURJKSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897176 204302964 /nfs/dbraw/zinc/30/29/64/204302964.db2.gz JMLWGMAKFOPVHH-MOPGFXCFSA-N 1 2 376.378 2.716 40 0 biogenic,in-vitro GFABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897176 204302967 /nfs/dbraw/zinc/30/29/67/204302967.db2.gz JMLWGMAKFOPVHH-MOPGFXCFSA-N 1 2 376.378 2.716 40 0 biogenic,in-vitro GFABLO COc1ccccc1C[N@@H+](Cc1ccnc(N2CCOCC2)n1)C[C@H]1CCCO1 ZINC000012187612 204379270 /nfs/dbraw/zinc/37/92/70/204379270.db2.gz DRQYNLOCJLKZLT-HXUWFJFHSA-N 1 2 398.507 2.503 40 0 GFABLO COc1ccccc1C[N@H+](Cc1ccnc(N2CCOCC2)n1)C[C@H]1CCCO1 ZINC000012187612 204379274 /nfs/dbraw/zinc/37/92/74/204379274.db2.gz DRQYNLOCJLKZLT-HXUWFJFHSA-N 1 2 398.507 2.503 40 0 GFABLO CCOc1ccc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc1OC ZINC000012222200 204385518 /nfs/dbraw/zinc/38/55/18/204385518.db2.gz FWGIEEMBGAYNQQ-UHFFFAOYSA-N 1 2 383.496 2.625 40 0 GFABLO CCOc1ccc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1OC ZINC000012222200 204385524 /nfs/dbraw/zinc/38/55/24/204385524.db2.gz FWGIEEMBGAYNQQ-UHFFFAOYSA-N 1 2 383.496 2.625 40 0 GFABLO CCOc1ccc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1OC ZINC000012222200 204385528 /nfs/dbraw/zinc/38/55/28/204385528.db2.gz FWGIEEMBGAYNQQ-UHFFFAOYSA-N 1 2 383.496 2.625 40 0 GFABLO CN1CC[C@@]2(C[C@@H](NC(=O)CCCn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000072327818 205326105 /nfs/dbraw/zinc/32/61/05/205326105.db2.gz FQIKMYFASMJHHR-XMSQKQJNSA-N 1 2 396.491 2.684 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cncn1Cc1ccccc1)C2 ZINC000072336817 205328293 /nfs/dbraw/zinc/32/82/93/205328293.db2.gz GNSHUHAYFGWSQP-UHFFFAOYSA-N 1 2 398.470 2.635 40 0 GFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cncn1Cc1ccccc1)C2 ZINC000072336817 205328298 /nfs/dbraw/zinc/32/82/98/205328298.db2.gz GNSHUHAYFGWSQP-UHFFFAOYSA-N 1 2 398.470 2.635 40 0 GFABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2cccnc2)C1 ZINC000072350635 205330425 /nfs/dbraw/zinc/33/04/25/205330425.db2.gz JCRHBNHCNWTDNX-QGZVFWFLSA-N 1 2 376.464 2.568 40 0 GFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000072378596 205339894 /nfs/dbraw/zinc/33/98/94/205339894.db2.gz CVMWTJFQTHHBII-SFHVURJKSA-N 1 2 377.448 2.967 40 0 GFABLO CCN1CC[N@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257237643 206164758 /nfs/dbraw/zinc/16/47/58/206164758.db2.gz HHKUCXZNMSLVHB-HXUWFJFHSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257237643 206164761 /nfs/dbraw/zinc/16/47/61/206164761.db2.gz HHKUCXZNMSLVHB-HXUWFJFHSA-N 1 2 389.503 2.995 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000257260248 206167360 /nfs/dbraw/zinc/16/73/60/206167360.db2.gz LBZMZWNNSIHKHL-HNNXBMFYSA-N 1 2 381.484 2.917 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257260248 206167362 /nfs/dbraw/zinc/16/73/62/206167362.db2.gz LBZMZWNNSIHKHL-HNNXBMFYSA-N 1 2 381.484 2.917 40 0 GFABLO Fc1ccc(OCCc2cc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)cc1F ZINC000257269489 206169318 /nfs/dbraw/zinc/16/93/18/206169318.db2.gz MQFOQSRRRFKSKC-SFHVURJKSA-N 1 2 389.406 2.606 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)NCc3ccco3)C2)on1 ZINC000012118371 221153678 /nfs/dbraw/zinc/15/36/78/221153678.db2.gz GBEKKFHDWIDDOF-OAHLLOKOSA-N 1 2 381.436 2.529 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)on1 ZINC000012118371 221153682 /nfs/dbraw/zinc/15/36/82/221153682.db2.gz GBEKKFHDWIDDOF-OAHLLOKOSA-N 1 2 381.436 2.529 40 0 GFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000072335534 136168413 /nfs/dbraw/zinc/16/84/13/136168413.db2.gz MACIJELUNRWAEV-UHFFFAOYSA-N 1 2 390.491 2.504 40 0 GFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1cccn1-c1cccnc1)C2 ZINC000072335534 136168414 /nfs/dbraw/zinc/16/84/14/136168414.db2.gz MACIJELUNRWAEV-UHFFFAOYSA-N 1 2 390.491 2.504 40 0 GFABLO COc1cccc([C@H](NS(=O)(=O)c2ccc(C)s2)c2[nH+]ccn2C)c1 ZINC000019217292 551114271 /nfs/dbraw/zinc/11/42/71/551114271.db2.gz JEYAEFRNWAFUHK-INIZCTEOSA-N 1 2 377.491 2.867 40 0 GFABLO CC(=O)N1CCC[C@H]1c1nc(C[N@H+](C)Cc2cnc(C)s2)cc(N(C)C)n1 ZINC000019760118 570216756 /nfs/dbraw/zinc/21/67/56/570216756.db2.gz KJNILPHVMLRUCQ-KRWDZBQOSA-N 1 2 388.541 2.623 40 0 GFABLO CC(=O)N1CCC[C@H]1c1nc(C[N@@H+](C)Cc2cnc(C)s2)cc(N(C)C)n1 ZINC000019760118 570216759 /nfs/dbraw/zinc/21/67/59/570216759.db2.gz KJNILPHVMLRUCQ-KRWDZBQOSA-N 1 2 388.541 2.623 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215769 570219635 /nfs/dbraw/zinc/21/96/35/570219635.db2.gz MNWAMSCKOVLRPH-IBGZPJMESA-N 1 2 391.562 2.961 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215769 570219637 /nfs/dbraw/zinc/21/96/37/570219637.db2.gz MNWAMSCKOVLRPH-IBGZPJMESA-N 1 2 391.562 2.961 40 0 GFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)C1CCCCC1)CCC2 ZINC000096251282 570224692 /nfs/dbraw/zinc/22/46/92/570224692.db2.gz XQXWHMGDQLTPCO-CVDCTZTESA-N 1 2 398.551 2.795 40 0 GFABLO Cc1nc(Nc2ncccc2C)cc([C@H]2CCN2C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000585291188 570259790 /nfs/dbraw/zinc/25/97/90/570259790.db2.gz LLRNVOGFYPUJEI-FUTAKVPZSA-N 1 2 375.436 2.942 40 0 GFABLO Cc1nc2cc([C@H]3CC[N@@H+](C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1 ZINC000100685947 570274623 /nfs/dbraw/zinc/27/46/23/570274623.db2.gz MWXYOWIDUHUCGZ-KRWDZBQOSA-N 1 2 399.539 2.886 40 0 GFABLO Cc1nc2cc([C@H]3CC[N@H+](C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1 ZINC000100685947 570274625 /nfs/dbraw/zinc/27/46/25/570274625.db2.gz MWXYOWIDUHUCGZ-KRWDZBQOSA-N 1 2 399.539 2.886 40 0 GFABLO Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)s1 ZINC000223125437 570445137 /nfs/dbraw/zinc/44/51/37/570445137.db2.gz LDBATUAWBHHSOS-QZTJIDSGSA-N 1 2 388.562 2.756 40 0 GFABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1CCC[NH+]1CCOCC1 ZINC000223167784 570447838 /nfs/dbraw/zinc/44/78/38/570447838.db2.gz UORXBURSLLEINS-QZTJIDSGSA-N 1 2 388.562 2.838 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000017946108 570922264 /nfs/dbraw/zinc/92/22/64/570922264.db2.gz WFXAJLPERYSJRD-OAHLLOKOSA-N 1 2 398.381 2.612 40 0 GFABLO COc1cc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000016807466 570934005 /nfs/dbraw/zinc/93/40/05/570934005.db2.gz WBCLOTMXMSFNKH-AWEZNQCLSA-N 1 2 385.416 2.940 40 0 GFABLO COc1cc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000016807466 570934008 /nfs/dbraw/zinc/93/40/08/570934008.db2.gz WBCLOTMXMSFNKH-AWEZNQCLSA-N 1 2 385.416 2.940 40 0 GFABLO COC(=O)[C@@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000019237027 570966952 /nfs/dbraw/zinc/96/69/52/570966952.db2.gz UVNKWBCKIUPKEV-FOUBCARRSA-N 1 2 396.418 2.516 40 0 GFABLO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)n1 ZINC000019285835 570969676 /nfs/dbraw/zinc/96/96/76/570969676.db2.gz RTUWZSMFWRUQFI-LBPRGKRZSA-N 1 2 386.525 2.955 40 0 GFABLO Cn1nc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000019289050 570970989 /nfs/dbraw/zinc/97/09/89/570970989.db2.gz GKWRKBKIIFWZRS-UHFFFAOYSA-N 1 2 393.466 2.508 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464379 575366588 /nfs/dbraw/zinc/36/65/88/575366588.db2.gz SNKURHNNGYZEQR-KBPBESRZSA-N 1 2 386.452 2.763 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464379 575366591 /nfs/dbraw/zinc/36/65/91/575366591.db2.gz SNKURHNNGYZEQR-KBPBESRZSA-N 1 2 386.452 2.763 40 0 biogenic,in-vitro GFABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)NCCC1=CCCCC1 ZINC000012087293 204369916 /nfs/dbraw/zinc/36/99/16/204369916.db2.gz GJCVBKBIMYEVIN-HSZRJFAPSA-N 1 2 397.519 2.650 40 0 GFABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)NCCC1=CCCCC1 ZINC000012087293 204369918 /nfs/dbraw/zinc/36/99/18/204369918.db2.gz GJCVBKBIMYEVIN-HSZRJFAPSA-N 1 2 397.519 2.650 40 0 GFABLO COc1ccc(CN(Cc2c[nH+]cn2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000012116775 204372342 /nfs/dbraw/zinc/37/23/42/204372342.db2.gz RMXVGOHGQMGXDG-QGZVFWFLSA-N 1 2 375.469 2.627 40 0 GFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2nc3ccccc3[nH]2)C1 ZINC000012145811 204375126 /nfs/dbraw/zinc/37/51/26/204375126.db2.gz DXSPWLXDIFPLRL-OAHLLOKOSA-N 1 2 388.475 2.982 40 0 GFABLO COc1cccc(C[N@@H+]2CCn3c(CO)nnc3C2)c1OCc1cccc(F)c1 ZINC000057822979 205160599 /nfs/dbraw/zinc/16/05/99/205160599.db2.gz YYSGXDQNQHAABA-UHFFFAOYSA-N 1 2 398.438 2.513 40 0 GFABLO COc1cccc(C[N@H+]2CCn3c(CO)nnc3C2)c1OCc1cccc(F)c1 ZINC000057822979 205160603 /nfs/dbraw/zinc/16/06/03/205160603.db2.gz YYSGXDQNQHAABA-UHFFFAOYSA-N 1 2 398.438 2.513 40 0 GFABLO COc1ccc(CC(=O)N2CCC[C@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350656 205332927 /nfs/dbraw/zinc/33/29/27/205332927.db2.gz NNLVLJBSPOWYDB-KRWDZBQOSA-N 1 2 377.448 2.620 40 0 GFABLO COc1ccc(CC(=O)N2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355315 205333350 /nfs/dbraw/zinc/33/33/50/205333350.db2.gz AZWSITYXZNMMSY-KRWDZBQOSA-N 1 2 377.448 2.620 40 0 GFABLO COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3cccc(C)n3)CC2)cc1C ZINC000072390414 205341620 /nfs/dbraw/zinc/34/16/20/205341620.db2.gz BIJNQENOFIEFGP-UHFFFAOYSA-N 1 2 389.521 2.604 40 0 GFABLO COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3cccc(C)n3)CC2)cc1C ZINC000072390414 205341625 /nfs/dbraw/zinc/34/16/25/205341625.db2.gz BIJNQENOFIEFGP-UHFFFAOYSA-N 1 2 389.521 2.604 40 0 GFABLO Clc1ccc(OCCc2cc([C@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)cc1 ZINC000257215174 206161774 /nfs/dbraw/zinc/16/17/74/206161774.db2.gz CPBJLNFKKVATEJ-GOSISDBHSA-N 1 2 387.871 2.981 40 0 GFABLO COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)o2)c1 ZINC000257233156 206162891 /nfs/dbraw/zinc/16/28/91/206162891.db2.gz GOAUWWTVBUGPMR-KRWDZBQOSA-N 1 2 380.448 2.877 40 0 GFABLO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@H+](Cc1ccccn1)CCO2 ZINC000257251223 206166649 /nfs/dbraw/zinc/16/66/49/206166649.db2.gz JPYFMSDMEAEMKE-HSZRJFAPSA-N 1 2 377.488 2.684 40 0 GFABLO O=C1N(CCc2ccccc2)CC=CC[C@@]12C[N@@H+](Cc1ccccn1)CCO2 ZINC000257251223 206166652 /nfs/dbraw/zinc/16/66/52/206166652.db2.gz JPYFMSDMEAEMKE-HSZRJFAPSA-N 1 2 377.488 2.684 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4cccc(C)n4)C3)n2)n1C ZINC000257264077 206168966 /nfs/dbraw/zinc/16/89/66/206168966.db2.gz LSUSKZLRZBOCCU-QGZVFWFLSA-N 1 2 390.491 2.984 40 0 GFABLO CNc1ncc(-c2nc(C(=O)NCCCn3cc[nH+]c3)c3ccccn32)s1 ZINC000306144897 206206789 /nfs/dbraw/zinc/20/67/89/206206789.db2.gz ZRTSPQOFFCZKFE-UHFFFAOYSA-N 1 2 381.465 2.516 40 0 GFABLO O=C1N(CC2CC2)C[C@@]2(F)C[N@@H+](Cc3ccc(-c4cncnc4)cc3)C[C@@]12F ZINC000306141938 206206942 /nfs/dbraw/zinc/20/69/42/206206942.db2.gz WKWIRVMHDYMAOK-LEWJYISDSA-N 1 2 384.430 2.628 40 0 GFABLO O=C1N(CC2CC2)C[C@@]2(F)C[N@H+](Cc3ccc(-c4cncnc4)cc3)C[C@@]12F ZINC000306141938 206206948 /nfs/dbraw/zinc/20/69/48/206206948.db2.gz WKWIRVMHDYMAOK-LEWJYISDSA-N 1 2 384.430 2.628 40 0 GFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136128 206203697 /nfs/dbraw/zinc/20/36/97/206203697.db2.gz PKEFCOQSQMZDRD-HTAPYJJXSA-N 1 2 396.491 2.925 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]32)c1 ZINC000306139001 206204353 /nfs/dbraw/zinc/20/43/53/206204353.db2.gz SMPVPGAHMBZFIW-SFTDATJTSA-N 1 2 398.528 2.509 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]32)c1 ZINC000306139001 206204356 /nfs/dbraw/zinc/20/43/56/206204356.db2.gz SMPVPGAHMBZFIW-SFTDATJTSA-N 1 2 398.528 2.509 40 0 GFABLO CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CC[NH+](Cc2ccco2)CC1 ZINC000012119396 221152933 /nfs/dbraw/zinc/15/29/33/221152933.db2.gz FZMFLAPQIJKFND-UHFFFAOYSA-N 1 2 398.488 2.915 40 0 GFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=Cc4ccccc4OC2)C3)CC1 ZINC000072335646 136168318 /nfs/dbraw/zinc/16/83/18/136168318.db2.gz VAXKKJCZUFULTR-UHFFFAOYSA-N 1 2 392.503 2.840 40 0 GFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=Cc4ccccc4OC2)C3)CC1 ZINC000072335646 136168319 /nfs/dbraw/zinc/16/83/19/136168319.db2.gz VAXKKJCZUFULTR-UHFFFAOYSA-N 1 2 392.503 2.840 40 0 GFABLO CCNc1nc(Nc2cc(C(=O)OC)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329062913 527995720 /nfs/dbraw/zinc/99/57/20/527995720.db2.gz XANYHSCJMPKESC-UHFFFAOYSA-N 1 2 378.432 2.958 40 0 GFABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccc(F)cc2)CC[C@@]1(C)O ZINC000514289893 560031390 /nfs/dbraw/zinc/03/13/90/560031390.db2.gz LXBLEXMJRSJDGW-SLFFLAALSA-N 1 2 392.496 2.716 40 0 biogenic,in-vitro GFABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccc(F)cc2)CC[C@@]1(C)O ZINC000514289893 560031392 /nfs/dbraw/zinc/03/13/92/560031392.db2.gz LXBLEXMJRSJDGW-SLFFLAALSA-N 1 2 392.496 2.716 40 0 biogenic,in-vitro GFABLO C[N@@H+]1C[C@@H](NS(=O)(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530099 560212924 /nfs/dbraw/zinc/21/29/24/560212924.db2.gz FHRHLQNFURRKOV-ROUUACIJSA-N 1 2 398.488 2.601 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NS(=O)(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530099 560212926 /nfs/dbraw/zinc/21/29/26/560212926.db2.gz FHRHLQNFURRKOV-ROUUACIJSA-N 1 2 398.488 2.601 40 0 biogenic,in-vitro GFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)c(Br)c1 ZINC000328955317 563469033 /nfs/dbraw/zinc/46/90/33/563469033.db2.gz ABNSJXKQOZRQPU-LLVKDONJSA-N 1 2 377.286 2.805 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080573 570209830 /nfs/dbraw/zinc/20/98/30/570209830.db2.gz HGSIBYOOHYUPLA-PKOBYXMFSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080573 570209832 /nfs/dbraw/zinc/20/98/32/570209832.db2.gz HGSIBYOOHYUPLA-PKOBYXMFSA-N 1 2 376.909 2.986 40 0 GFABLO CS(=O)(=O)N1CCCC[C@H]1C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019746617 570214009 /nfs/dbraw/zinc/21/40/09/570214009.db2.gz QSFQUFQPNHOTDB-SFHVURJKSA-N 1 2 376.526 2.589 40 0 GFABLO Cc1cccc(S(=O)(=O)N2CCC3(C[C@H](Nc4cccc[nH+]4)CO3)CC2)c1 ZINC000096221320 570219939 /nfs/dbraw/zinc/21/99/39/570219939.db2.gz GVRBXRHGGNUXCG-KRWDZBQOSA-N 1 2 387.505 2.814 40 0 GFABLO O=C(c1ccc2ncccc2c1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259585 570225279 /nfs/dbraw/zinc/22/52/79/570225279.db2.gz VVIATPSUBLNRHM-UHFFFAOYSA-N 1 2 390.491 2.858 40 0 GFABLO COc1cccc([C@@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)c1OC ZINC000100162680 570268037 /nfs/dbraw/zinc/26/80/37/570268037.db2.gz PIWOIMWMPOQPPG-RVKKMQEKSA-N 1 2 387.480 2.848 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccccc3C)C1=O)CC2 ZINC000102332000 570288621 /nfs/dbraw/zinc/28/86/21/570288621.db2.gz UYRMVBLHWVYWCF-SFHVURJKSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccccc3C)C1=O)CC2 ZINC000102332000 570288626 /nfs/dbraw/zinc/28/86/26/570288626.db2.gz UYRMVBLHWVYWCF-SFHVURJKSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cccc(C)c3)C1=O)CC2 ZINC000022609129 570323187 /nfs/dbraw/zinc/32/31/87/570323187.db2.gz JDCZBUXLGZUYSW-SFHVURJKSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cccc(C)c3)C1=O)CC2 ZINC000022609129 570323188 /nfs/dbraw/zinc/32/31/88/570323188.db2.gz JDCZBUXLGZUYSW-SFHVURJKSA-N 1 2 380.444 2.702 40 0 GFABLO Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)s1 ZINC000223125620 570445247 /nfs/dbraw/zinc/44/52/47/570445247.db2.gz LDBATUAWBHHSOS-ROUUACIJSA-N 1 2 388.562 2.756 40 0 GFABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@H+](Cc1cnc(N)nc1)CC2 ZINC000012363858 570646324 /nfs/dbraw/zinc/64/63/24/570646324.db2.gz RHRSXZXULWMWCS-HXUWFJFHSA-N 1 2 377.448 2.619 40 0 GFABLO COc1cc2c(cc1OC)[C@@H](c1ccncc1)[N@@H+](Cc1cnc(N)nc1)CC2 ZINC000012363858 570646329 /nfs/dbraw/zinc/64/63/29/570646329.db2.gz RHRSXZXULWMWCS-HXUWFJFHSA-N 1 2 377.448 2.619 40 0 GFABLO Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=[NH+][C@H]2c1ccc(Cl)cc1 ZINC000014607539 570893021 /nfs/dbraw/zinc/89/30/21/570893021.db2.gz QHUBTILWVXELMD-QGZVFWFLSA-N 1 2 380.839 2.718 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000014607410 570893267 /nfs/dbraw/zinc/89/32/67/570893267.db2.gz VJMHLJULSQVBJT-IAQYHMDHSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 ZINC000014607410 570893272 /nfs/dbraw/zinc/89/32/72/570893272.db2.gz VJMHLJULSQVBJT-IAQYHMDHSA-N 1 2 399.274 2.900 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000016039150 570912447 /nfs/dbraw/zinc/91/24/47/570912447.db2.gz GMTQUPLCNPNNBD-AKHDSKFASA-N 1 2 378.403 2.661 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000016039150 570912450 /nfs/dbraw/zinc/91/24/50/570912450.db2.gz GMTQUPLCNPNNBD-AKHDSKFASA-N 1 2 378.403 2.661 40 0 GFABLO CC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019500600 570926722 /nfs/dbraw/zinc/92/67/22/570926722.db2.gz CSDPWUUMPHUCOK-SFHVURJKSA-N 1 2 398.511 2.786 40 0 GFABLO CNc1ncccc1C[N@@H+]1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019017420 570954436 /nfs/dbraw/zinc/95/44/36/570954436.db2.gz GSLGTLGYZKEULX-IBGZPJMESA-N 1 2 380.496 2.545 40 0 GFABLO CNc1ncccc1C[N@H+]1CCc2nc([C@@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019017420 570954439 /nfs/dbraw/zinc/95/44/39/570954439.db2.gz GSLGTLGYZKEULX-IBGZPJMESA-N 1 2 380.496 2.545 40 0 GFABLO C[C@@](O)(c1ccccc1)[C@@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019367100 570980054 /nfs/dbraw/zinc/98/00/54/570980054.db2.gz MFDVLMOVSSULIJ-WXFUMESZSA-N 1 2 396.531 2.668 40 0 GFABLO Cc1ncsc1C(=O)N1CCC(c2cncc(-c3c[nH+]c(C)n3C)n2)CC1 ZINC000585177418 570999641 /nfs/dbraw/zinc/99/96/41/570999641.db2.gz APMFZTRNGQYCGU-UHFFFAOYSA-N 1 2 382.493 2.970 40 0 GFABLO COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588946 571016306 /nfs/dbraw/zinc/01/63/06/571016306.db2.gz QQRRKQKQFMZHDD-LJQANCHMSA-N 1 2 396.491 2.849 40 0 GFABLO COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588946 571016307 /nfs/dbraw/zinc/01/63/07/571016307.db2.gz QQRRKQKQFMZHDD-LJQANCHMSA-N 1 2 396.491 2.849 40 0 GFABLO COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019588920 571016594 /nfs/dbraw/zinc/01/65/94/571016594.db2.gz OOSHTLDRRMJUNK-FQEVSTJZSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019588920 571016598 /nfs/dbraw/zinc/01/65/98/571016598.db2.gz OOSHTLDRRMJUNK-FQEVSTJZSA-N 1 2 380.492 2.769 40 0 GFABLO COC(=O)[C@@H](Cc1cn(COCc2ccccc2)c[nH+]1)NC(=O)OC(C)(C)C ZINC000005379716 204129824 /nfs/dbraw/zinc/12/98/24/204129824.db2.gz BLJLWDUWEJEOAE-QGZVFWFLSA-N 1 2 389.452 2.666 40 0 GFABLO CCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 ZINC000012183432 204378114 /nfs/dbraw/zinc/37/81/14/204378114.db2.gz XNKYJXODIYNAPK-UHFFFAOYSA-N 1 2 395.459 2.638 40 0 GFABLO COc1cc(CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc(OC)c1OC ZINC000012114897 204371798 /nfs/dbraw/zinc/37/17/98/204371798.db2.gz AVUMTWQIPRNTAL-FQEVSTJZSA-N 1 2 395.459 2.894 40 0 GFABLO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@@H+](Cc2ccnc4ccccc24)C3)C1 ZINC000019711091 204673979 /nfs/dbraw/zinc/67/39/79/204673979.db2.gz SXUAOGUHTWTALP-SFHVURJKSA-N 1 2 390.491 2.568 40 0 GFABLO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2ccnc4ccccc24)C3)C1 ZINC000019711091 204673982 /nfs/dbraw/zinc/67/39/82/204673982.db2.gz SXUAOGUHTWTALP-SFHVURJKSA-N 1 2 390.491 2.568 40 0 GFABLO CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000072372197 205337216 /nfs/dbraw/zinc/33/72/16/205337216.db2.gz GNLWBBWQFONGAY-LJQANCHMSA-N 1 2 397.498 2.942 40 0 GFABLO CNc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000072372197 205337219 /nfs/dbraw/zinc/33/72/19/205337219.db2.gz GNLWBBWQFONGAY-LJQANCHMSA-N 1 2 397.498 2.942 40 0 GFABLO Cc1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000225217923 206042065 /nfs/dbraw/zinc/04/20/65/206042065.db2.gz GDNWRIPMRCJFKN-UHFFFAOYSA-N 1 2 390.944 2.547 40 0 GFABLO CCN1CC[N@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239532 206165191 /nfs/dbraw/zinc/16/51/91/206165191.db2.gz HPTLAQWRIZGLDG-FQEVSTJZSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239532 206165195 /nfs/dbraw/zinc/16/51/95/206165195.db2.gz HPTLAQWRIZGLDG-FQEVSTJZSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239532 206165200 /nfs/dbraw/zinc/16/52/00/206165200.db2.gz HPTLAQWRIZGLDG-FQEVSTJZSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257239532 206165205 /nfs/dbraw/zinc/16/52/05/206165205.db2.gz HPTLAQWRIZGLDG-FQEVSTJZSA-N 1 2 389.503 2.995 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000257260249 206168667 /nfs/dbraw/zinc/16/86/67/206168667.db2.gz LBZMZWNNSIHKHL-OAHLLOKOSA-N 1 2 381.484 2.917 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257260249 206168671 /nfs/dbraw/zinc/16/86/71/206168671.db2.gz LBZMZWNNSIHKHL-OAHLLOKOSA-N 1 2 381.484 2.917 40 0 GFABLO COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)o2)cc1 ZINC000257323858 206180201 /nfs/dbraw/zinc/18/02/01/206180201.db2.gz WMCRTKGHNNKZRZ-QGZVFWFLSA-N 1 2 380.448 2.877 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccccc4F)C[C@@H]2S3(=O)=O)cn1 ZINC000306140342 206205017 /nfs/dbraw/zinc/20/50/17/206205017.db2.gz UQPCRQREYGJSNH-NQIIRXRSSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccccc4F)C[C@@H]2S3(=O)=O)cn1 ZINC000306140342 206205020 /nfs/dbraw/zinc/20/50/20/206205020.db2.gz UQPCRQREYGJSNH-NQIIRXRSSA-N 1 2 397.475 2.982 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142262 206206374 /nfs/dbraw/zinc/20/63/74/206206374.db2.gz WUTPUHDZZFYURA-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306142262 206206378 /nfs/dbraw/zinc/20/63/78/206206378.db2.gz WUTPUHDZZFYURA-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO CC(C)Nc1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ccncn1)CC2 ZINC000096260476 570225786 /nfs/dbraw/zinc/22/57/86/570225786.db2.gz QQDHKHKLCVHDJC-UHFFFAOYSA-N 1 2 380.496 2.533 40 0 GFABLO OCC[N@@H+]1CCO[C@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585262878 570231253 /nfs/dbraw/zinc/23/12/53/570231253.db2.gz NVHIERZAZZXTBJ-KRWDZBQOSA-N 1 2 392.381 2.781 40 0 GFABLO OCC[N@H+]1CCO[C@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585262878 570231256 /nfs/dbraw/zinc/23/12/56/570231256.db2.gz NVHIERZAZZXTBJ-KRWDZBQOSA-N 1 2 392.381 2.781 40 0 GFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N2CCOCC2)cc1 ZINC000072216231 570317320 /nfs/dbraw/zinc/31/73/20/570317320.db2.gz DEWFFRURMXJCAN-LJQANCHMSA-N 1 2 387.505 2.752 40 0 GFABLO CCCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670064 570367609 /nfs/dbraw/zinc/36/76/09/570367609.db2.gz WCFAVVLIPPDRJN-GOSISDBHSA-N 1 2 376.480 2.512 40 0 GFABLO COc1cc2c(cc1C[N@H+](CCN1CCOCC1)Cc1cccnc1)CCC2 ZINC000022931496 570379263 /nfs/dbraw/zinc/37/92/63/570379263.db2.gz ZNTYLDMZMJULJZ-UHFFFAOYSA-N 1 2 381.520 2.913 40 0 GFABLO COc1cc2c(cc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1)CCC2 ZINC000022931496 570379265 /nfs/dbraw/zinc/37/92/65/570379265.db2.gz ZNTYLDMZMJULJZ-UHFFFAOYSA-N 1 2 381.520 2.913 40 0 GFABLO COc1cc2c(cc1CN(CC[NH+]1CCOCC1)Cc1cccnc1)CCC2 ZINC000022931496 570379266 /nfs/dbraw/zinc/37/92/66/570379266.db2.gz ZNTYLDMZMJULJZ-UHFFFAOYSA-N 1 2 381.520 2.913 40 0 GFABLO Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223125316 570445038 /nfs/dbraw/zinc/44/50/38/570445038.db2.gz UPYIGIVFUPXPMH-IRXDYDNUSA-N 1 2 388.562 2.756 40 0 GFABLO CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149606 570447234 /nfs/dbraw/zinc/44/72/34/570447234.db2.gz OJXYCXAAXXSPCN-WOJBJXKFSA-N 1 2 399.564 2.769 40 0 GFABLO CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223149656 570447302 /nfs/dbraw/zinc/44/73/02/570447302.db2.gz OJXYCXAAXXSPCN-UXHICEINSA-N 1 2 399.564 2.769 40 0 GFABLO COc1cccc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000027233033 570494388 /nfs/dbraw/zinc/49/43/88/570494388.db2.gz PCDFWLSXOCGNLX-QGZVFWFLSA-O 1 2 383.453 2.848 40 0 GFABLO COc1cccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261365814 570789240 /nfs/dbraw/zinc/78/92/40/570789240.db2.gz VKQOZCYJJYFXKY-LJQANCHMSA-O 1 2 395.464 2.781 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000014607417 570893014 /nfs/dbraw/zinc/89/30/14/570893014.db2.gz KIEPQVIROGFTKR-XHDPSFHLSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000014607417 570893015 /nfs/dbraw/zinc/89/30/15/570893015.db2.gz KIEPQVIROGFTKR-XHDPSFHLSA-N 1 2 399.274 2.900 40 0 GFABLO Cn1nc(C2CC2)cc1C(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000019288835 570971011 /nfs/dbraw/zinc/97/10/11/570971011.db2.gz NWDIQDVIHJUZFN-UHFFFAOYSA-N 1 2 388.899 2.788 40 0 GFABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCOCC2)cc1)OCO3 ZINC000019335606 570975985 /nfs/dbraw/zinc/97/59/85/570975985.db2.gz RUOUVYKEBDYMBR-UHFFFAOYSA-N 1 2 379.416 2.706 40 0 GFABLO c1cc(CN(CC[NH+]2CCOCC2)Cc2cccnc2)n(-c2cccnc2)c1 ZINC000019338667 570976506 /nfs/dbraw/zinc/97/65/06/570976506.db2.gz UIDVJAZGRZCYMI-UHFFFAOYSA-N 1 2 377.492 2.602 40 0 GFABLO Cc1cc(=O)n(CCC(=O)N2CCCN(c3cccc[nH+]3)CC2)c2ccccc12 ZINC000019566538 571008244 /nfs/dbraw/zinc/00/82/44/571008244.db2.gz CUUMCCOANRYIDA-UHFFFAOYSA-N 1 2 390.487 2.834 40 0 GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3nccs3)CC[N@@H+]21 ZINC000253408018 291119679 /nfs/dbraw/zinc/11/96/79/291119679.db2.gz XARMUIAMQDBTIR-SFHVURJKSA-N 1 2 399.564 2.633 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3nccs3)CC[N@H+]21 ZINC000253408018 291119683 /nfs/dbraw/zinc/11/96/83/291119683.db2.gz XARMUIAMQDBTIR-SFHVURJKSA-N 1 2 399.564 2.633 40 0 biogenic,in-vitro GFABLO COC(=O)[C@@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000004885328 204086572 /nfs/dbraw/zinc/08/65/72/204086572.db2.gz HPUXACWYEUDBLN-FOUBCARRSA-N 1 2 396.418 2.516 40 0 GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1 ZINC000035425208 204194236 /nfs/dbraw/zinc/19/42/36/204194236.db2.gz UQEIMBXZQSORQC-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cn1 ZINC000035425208 204194239 /nfs/dbraw/zinc/19/42/39/204194239.db2.gz UQEIMBXZQSORQC-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO Cn1cc(-c2cc(NCC3(c4cccc(F)c4)CCOCC3)nc(N)[nH+]2)cn1 ZINC000019717898 204677333 /nfs/dbraw/zinc/67/73/33/204677333.db2.gz BRHVAHWJMPKLFV-UHFFFAOYSA-N 1 2 382.443 2.759 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)COc3ccccc3)C2)cc[nH+]1 ZINC000072356493 205332613 /nfs/dbraw/zinc/33/26/13/205332613.db2.gz UGIQNHGZIKNOOY-INIZCTEOSA-N 1 2 377.448 2.839 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccc(OC)cc1 ZINC000257204740 206159039 /nfs/dbraw/zinc/15/90/39/206159039.db2.gz AWDADVOJSZLLLL-NQIIRXRSSA-N 1 2 396.491 2.618 40 0 GFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257279808 206172284 /nfs/dbraw/zinc/17/22/84/206172284.db2.gz OIGDEPMLTHBYFW-HXUWFJFHSA-N 1 2 376.464 2.573 40 0 GFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257279808 206172288 /nfs/dbraw/zinc/17/22/88/206172288.db2.gz OIGDEPMLTHBYFW-HXUWFJFHSA-N 1 2 376.464 2.573 40 0 GFABLO O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257229460 206163303 /nfs/dbraw/zinc/16/33/03/206163303.db2.gz FYFDJKLRXGJKRU-GJZGRUSLSA-N 1 2 393.369 2.616 40 0 GFABLO Cc1ccc(CCNC(=O)[C@@]2(C)CCCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC000257250850 206165500 /nfs/dbraw/zinc/16/55/00/206165500.db2.gz JOHTXWOXMSFDSW-FQEVSTJZSA-N 1 2 388.537 2.631 40 0 GFABLO Cc1[nH+]cc(-c2cc(CC3CCN(C(=O)C4CCOCC4)CC3)ccn2)n1C ZINC000257265623 206170383 /nfs/dbraw/zinc/17/03/83/206170383.db2.gz LZMXTCDCJOBHSC-UHFFFAOYSA-N 1 2 382.508 2.998 40 0 GFABLO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccsc5)ccc34)C2)cn1 ZINC000306128858 206199088 /nfs/dbraw/zinc/19/90/88/206199088.db2.gz HMXAWWDOJJGSIW-IBGZPJMESA-N 1 2 393.520 2.680 40 0 GFABLO Cn1cc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccsc5)ccc34)C2)cn1 ZINC000306128858 206199091 /nfs/dbraw/zinc/19/90/91/206199091.db2.gz HMXAWWDOJJGSIW-IBGZPJMESA-N 1 2 393.520 2.680 40 0 GFABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccccn1)CCO2 ZINC000306128324 206199129 /nfs/dbraw/zinc/19/91/29/206199129.db2.gz GXJLQFZZCQFHTE-PXNSSMCTSA-N 1 2 386.521 2.790 40 0 GFABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccccn1)CCO2 ZINC000306128324 206199133 /nfs/dbraw/zinc/19/91/33/206199133.db2.gz GXJLQFZZCQFHTE-PXNSSMCTSA-N 1 2 386.521 2.790 40 0 GFABLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306135918 206203410 /nfs/dbraw/zinc/20/34/10/206203410.db2.gz PEIZDRTYIHFJAZ-OAQYLSRUSA-N 1 2 385.475 2.675 40 0 GFABLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306135918 206203415 /nfs/dbraw/zinc/20/34/15/206203415.db2.gz PEIZDRTYIHFJAZ-OAQYLSRUSA-N 1 2 385.475 2.675 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)N3CCCC3)CC2)C1 ZINC000306134204 206203431 /nfs/dbraw/zinc/20/34/31/206203431.db2.gz NFQRFPAELBQHIN-UHFFFAOYSA-N 1 2 398.486 2.537 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)N3CCCC3)CC2)C1 ZINC000306134204 206203435 /nfs/dbraw/zinc/20/34/35/206203435.db2.gz NFQRFPAELBQHIN-UHFFFAOYSA-N 1 2 398.486 2.537 40 0 GFABLO O=C(CCn1cc[nH+]c1)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000072347971 222234806 /nfs/dbraw/zinc/23/48/06/222234806.db2.gz HGIXGXRUGGDDPF-AWEZNQCLSA-N 1 2 392.385 2.900 40 0 GFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1OC ZINC000328982361 570210422 /nfs/dbraw/zinc/21/04/22/570210422.db2.gz GZFQUCBQYDJUCM-CQSZACIVSA-N 1 2 380.448 2.541 40 0 GFABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000020098135 570239338 /nfs/dbraw/zinc/23/93/38/570239338.db2.gz HVAPCVPYPGMTRT-UHFFFAOYSA-N 1 2 399.516 2.996 40 0 GFABLO c1ccc(CN2C[NH+]=C3N[C@@H](c4cccnc4)n4c5ccccc5nc4N3C2)nc1 ZINC000020638678 570273799 /nfs/dbraw/zinc/27/37/99/570273799.db2.gz AMEQAHBPOVHWRM-HXUWFJFHSA-N 1 2 396.458 2.570 40 0 GFABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1C ZINC000020674056 570274732 /nfs/dbraw/zinc/27/47/32/570274732.db2.gz GIBAFJIDFZUBKV-HNNXBMFYSA-N 1 2 394.479 2.730 40 0 GFABLO Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c1 ZINC000020799957 570281002 /nfs/dbraw/zinc/28/10/02/570281002.db2.gz HRMMJTNUDGCJGZ-AWEZNQCLSA-N 1 2 394.479 2.730 40 0 GFABLO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000057731188 570371621 /nfs/dbraw/zinc/37/16/21/570371621.db2.gz CFUBRAONLUWDQV-LIRRHRJNSA-N 1 2 387.480 2.598 40 0 GFABLO CCOC(=O)C1C(C[N@H+]2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000057731188 570371625 /nfs/dbraw/zinc/37/16/25/570371625.db2.gz CFUBRAONLUWDQV-LIRRHRJNSA-N 1 2 387.480 2.598 40 0 GFABLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)s1 ZINC000223125497 570445030 /nfs/dbraw/zinc/44/50/30/570445030.db2.gz LDBATUAWBHHSOS-MSOLQXFVSA-N 1 2 388.562 2.756 40 0 GFABLO c1ccc(Cn2c(SCC[NH+]3CCOCC3)nnc2-c2cccnc2)cc1 ZINC000026098979 570445971 /nfs/dbraw/zinc/44/59/71/570445971.db2.gz JAMJKSZKWIUBQS-UHFFFAOYSA-N 1 2 381.505 2.813 40 0 GFABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000030752609 570494310 /nfs/dbraw/zinc/49/43/10/570494310.db2.gz VYFBBVBQJRWVFV-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO Cc1ccc(Cn2nnnc2C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000004373799 570626494 /nfs/dbraw/zinc/62/64/94/570626494.db2.gz SIBWZGFQAWFRNF-UHFFFAOYSA-N 1 2 381.455 2.653 40 0 GFABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101318828 570965289 /nfs/dbraw/zinc/96/52/89/570965289.db2.gz WRRUROFEEKQBIT-YRXWBPOGSA-N 1 2 378.403 2.661 40 0 GFABLO O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000101318828 570965291 /nfs/dbraw/zinc/96/52/91/570965291.db2.gz WRRUROFEEKQBIT-YRXWBPOGSA-N 1 2 378.403 2.661 40 0 GFABLO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC[C@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285854 570969652 /nfs/dbraw/zinc/96/96/52/570969652.db2.gz DWXXJOVZWMPEIR-WBMJQRKESA-N 1 2 386.525 2.955 40 0 GFABLO CCOc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC[C@@H]4C)nc3C2)ccc1O ZINC000019531863 570999268 /nfs/dbraw/zinc/99/92/68/570999268.db2.gz RSJXJUJHNYDOHH-HNNXBMFYSA-N 1 2 398.507 2.811 40 0 GFABLO CCOc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC[C@@H]4C)nc3C2)ccc1O ZINC000019531863 570999270 /nfs/dbraw/zinc/99/92/70/570999270.db2.gz RSJXJUJHNYDOHH-HNNXBMFYSA-N 1 2 398.507 2.811 40 0 GFABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c(=O)[nH]c(N5CCCC5)nc4C3)c(C)c2c1 ZINC000019565497 571007492 /nfs/dbraw/zinc/00/74/92/571007492.db2.gz ILTURRPMBNGVKA-UHFFFAOYSA-N 1 2 393.491 2.727 40 0 GFABLO COc1ccc2[nH]c(C[N@H+]3CCc4c(=O)[nH]c(N5CCCC5)nc4C3)c(C)c2c1 ZINC000019565497 571007496 /nfs/dbraw/zinc/00/74/96/571007496.db2.gz ILTURRPMBNGVKA-UHFFFAOYSA-N 1 2 393.491 2.727 40 0 GFABLO Cc1ccc2nc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)sc2c1 ZINC000019658039 571024495 /nfs/dbraw/zinc/02/44/95/571024495.db2.gz SQQDQOCWQZIVFW-UHFFFAOYSA-N 1 2 383.477 2.877 40 0 GFABLO CCNc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000329067621 203773890 /nfs/dbraw/zinc/77/38/90/203773890.db2.gz YJLQZDTWORPXHC-UHFFFAOYSA-N 1 2 380.233 2.978 40 0 GFABLO CCc1nn2c(nnc3c2ccn(CCc2c[nH+]c[nH]2)c3=O)c1-c1ccccc1 ZINC000040388412 205062127 /nfs/dbraw/zinc/06/21/27/205062127.db2.gz MGCYJJDYWPSANX-UHFFFAOYSA-N 1 2 385.431 2.634 40 0 GFABLO CCc1nn2c(nnc3c2ccn(CCc2c[nH]c[nH+]2)c3=O)c1-c1ccccc1 ZINC000040388412 205062132 /nfs/dbraw/zinc/06/21/32/205062132.db2.gz MGCYJJDYWPSANX-UHFFFAOYSA-N 1 2 385.431 2.634 40 0 GFABLO Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC[C@H](C)[NH+]2CCOCC2)s1 ZINC000046268443 205106755 /nfs/dbraw/zinc/10/67/55/205106755.db2.gz NQOVCBGIZOZWKN-ZDUSSCGKSA-N 1 2 377.485 2.637 40 0 GFABLO C[C@H](CC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000072327798 205326027 /nfs/dbraw/zinc/32/60/27/205326027.db2.gz KXGGTRQPRFAFOQ-NRJQMVOHSA-N 1 2 396.491 2.855 40 0 GFABLO Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1 ZINC000072390407 205341642 /nfs/dbraw/zinc/34/16/42/205341642.db2.gz NMLOGSWLXNZHDC-UHFFFAOYSA-N 1 2 377.485 2.734 40 0 GFABLO Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)n1 ZINC000072390407 205341646 /nfs/dbraw/zinc/34/16/46/205341646.db2.gz NMLOGSWLXNZHDC-UHFFFAOYSA-N 1 2 377.485 2.734 40 0 GFABLO COc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000223485606 206000835 /nfs/dbraw/zinc/00/08/35/206000835.db2.gz IDROHXNUVDXOAN-UHFFFAOYSA-N 1 2 382.460 2.619 40 0 GFABLO COc1ccc(OC)c(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000225220288 206041921 /nfs/dbraw/zinc/04/19/21/206041921.db2.gz FIWHJLLHHIOXCT-UHFFFAOYSA-N 1 2 387.505 2.924 40 0 GFABLO CCn1c(CCCC(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)nc2ccccc21 ZINC000257200550 206158257 /nfs/dbraw/zinc/15/82/57/206158257.db2.gz ADTNUTMRWPFBJN-WOIUINJBSA-N 1 2 395.507 2.798 40 0 GFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136129 206202500 /nfs/dbraw/zinc/20/25/00/206202500.db2.gz PKEFCOQSQMZDRD-JTSKRJEESA-N 1 2 396.491 2.925 40 0 GFABLO CN1CC[N@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306136071 206203459 /nfs/dbraw/zinc/20/34/59/206203459.db2.gz PIINKIFYYWIQIF-OAQYLSRUSA-N 1 2 385.475 2.675 40 0 GFABLO CN1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306136071 206203462 /nfs/dbraw/zinc/20/34/62/206203462.db2.gz PIINKIFYYWIQIF-OAQYLSRUSA-N 1 2 385.475 2.675 40 0 GFABLO O=C(C[N@@H+]1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 ZINC000019767291 526756207 /nfs/dbraw/zinc/75/62/07/526756207.db2.gz AEADSZSQHJQQKC-INIZCTEOSA-N 1 2 399.520 2.592 40 0 GFABLO O=C(C[N@H+]1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)Nc1nccs1 ZINC000019767291 526756212 /nfs/dbraw/zinc/75/62/12/526756212.db2.gz AEADSZSQHJQQKC-INIZCTEOSA-N 1 2 399.520 2.592 40 0 GFABLO CC[NH+]1CCN(C(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn32)CC1 ZINC000408679904 529122699 /nfs/dbraw/zinc/12/26/99/529122699.db2.gz WPCVFZLAUDRBQN-UHFFFAOYSA-N 1 2 391.471 2.962 40 0 GFABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096229291 570221446 /nfs/dbraw/zinc/22/14/46/570221446.db2.gz LBGXFIXBIXLVSP-FQEVSTJZSA-N 1 2 386.521 2.601 40 0 GFABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCCN(C(=O)c4cccnc4)C3)C2)cs1 ZINC000096229291 570221450 /nfs/dbraw/zinc/22/14/50/570221450.db2.gz LBGXFIXBIXLVSP-FQEVSTJZSA-N 1 2 386.521 2.601 40 0 GFABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096265047 570226945 /nfs/dbraw/zinc/22/69/45/570226945.db2.gz BGHKIHRHKMQDJJ-OAQYLSRUSA-N 1 2 390.491 2.670 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)CC1 ZINC000020798744 570281010 /nfs/dbraw/zinc/28/10/10/570281010.db2.gz ZVNPVBRKTXHWQE-MRXNPFEDSA-N 1 2 378.856 2.555 40 0 GFABLO Cc1ccccc1N1CCN(C(=O)C[NH+]2CCN(c3ccccc3C)CC2)CC1 ZINC000055211529 570687440 /nfs/dbraw/zinc/68/74/40/570687440.db2.gz NOHFOUARAOQNMI-UHFFFAOYSA-N 1 2 392.547 2.774 40 0 GFABLO O=C(N[C@H]1c2[nH+]ccn2CCC12CCN(C(=O)c1cccc(F)c1)CC2)C1CC1 ZINC000585091871 570921372 /nfs/dbraw/zinc/92/13/72/570921372.db2.gz PBIGZMDWZGZTHB-SFHVURJKSA-N 1 2 396.466 2.916 40 0 GFABLO Cn1c(COc2cccc3ccccc32)nnc1SCC[NH+]1CCOCC1 ZINC000019289290 570971472 /nfs/dbraw/zinc/97/14/72/570971472.db2.gz UYDGMJJKROKHTB-UHFFFAOYSA-N 1 2 384.505 2.972 40 0 GFABLO COc1cc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1O ZINC000019453685 570986154 /nfs/dbraw/zinc/98/61/54/570986154.db2.gz VPCXJGLZACRIJG-UHFFFAOYSA-N 1 2 398.507 2.709 40 0 GFABLO COc1cc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)ccc1O ZINC000019453685 570986158 /nfs/dbraw/zinc/98/61/58/570986158.db2.gz VPCXJGLZACRIJG-UHFFFAOYSA-N 1 2 398.507 2.709 40 0 GFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1csc(Nc2ccccc2F)n1 ZINC000019500394 570992494 /nfs/dbraw/zinc/99/24/94/570992494.db2.gz JTANDAJVNZXMKR-CQSZACIVSA-N 1 2 392.500 2.795 40 0 GFABLO CCn1c(C[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)nc2ccccc21 ZINC000019524314 570996496 /nfs/dbraw/zinc/99/64/96/570996496.db2.gz XAMYNDQQEFFEDA-XXBNENTESA-N 1 2 388.471 2.873 40 0 GFABLO CCn1c(C[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)nc2ccccc21 ZINC000019524314 570996497 /nfs/dbraw/zinc/99/64/97/570996497.db2.gz XAMYNDQQEFFEDA-XXBNENTESA-N 1 2 388.471 2.873 40 0 GFABLO O=C(C[N@H+]1CCC[C@@H](COc2ccccc2F)C1)N1CC(=O)Nc2ccccc21 ZINC000019658129 571024410 /nfs/dbraw/zinc/02/44/10/571024410.db2.gz PKNCOALSEYIMNW-MRXNPFEDSA-N 1 2 397.450 2.902 40 0 GFABLO O=C(C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1)N1CC(=O)Nc2ccccc21 ZINC000019658129 571024412 /nfs/dbraw/zinc/02/44/12/571024412.db2.gz PKNCOALSEYIMNW-MRXNPFEDSA-N 1 2 397.450 2.902 40 0 GFABLO C[N@H+](CC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)Cc1ccccn1 ZINC000019661323 571025912 /nfs/dbraw/zinc/02/59/12/571025912.db2.gz XCZNFKHWMSAULL-UHFFFAOYSA-N 1 2 392.425 2.881 40 0 GFABLO C[N@@H+](CC(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)Cc1ccccn1 ZINC000019661323 571025914 /nfs/dbraw/zinc/02/59/14/571025914.db2.gz XCZNFKHWMSAULL-UHFFFAOYSA-N 1 2 392.425 2.881 40 0 GFABLO Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)s1 ZINC000046268442 205106920 /nfs/dbraw/zinc/10/69/20/205106920.db2.gz NQOVCBGIZOZWKN-CYBMUJFWSA-N 1 2 377.485 2.637 40 0 GFABLO CN1CC[C@@]2(C[C@H](NC(=O)CCCn3cc[nH+]c3)c3ccccc3O2)CCC1=O ZINC000072327816 205325917 /nfs/dbraw/zinc/32/59/17/205325917.db2.gz FQIKMYFASMJHHR-PGRDOPGGSA-N 1 2 396.491 2.684 40 0 GFABLO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380540 205340179 /nfs/dbraw/zinc/34/01/79/205340179.db2.gz BRKRDJGNNGQUJH-INIZCTEOSA-N 1 2 388.899 2.915 40 0 GFABLO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH]n1)N1CCOCC1 ZINC000072380540 205340185 /nfs/dbraw/zinc/34/01/85/205340185.db2.gz BRKRDJGNNGQUJH-INIZCTEOSA-N 1 2 388.899 2.915 40 0 GFABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1OC ZINC000072390795 205340749 /nfs/dbraw/zinc/34/07/49/205340749.db2.gz PRKRVFXCUNVUGL-LJQANCHMSA-N 1 2 396.491 2.736 40 0 GFABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1OC ZINC000072390795 205340754 /nfs/dbraw/zinc/34/07/54/205340754.db2.gz PRKRVFXCUNVUGL-LJQANCHMSA-N 1 2 396.491 2.736 40 0 GFABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ncccc4C)C[C@H]3F)nc2c1 ZINC000096112393 206115958 /nfs/dbraw/zinc/11/59/58/206115958.db2.gz RJNNNJXEXAITIC-BEFAXECRSA-N 1 2 398.438 2.792 40 0 biogenic,in-vitro GFABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ncccc4C)C[C@H]3F)nc2c1 ZINC000096112393 206115962 /nfs/dbraw/zinc/11/59/62/206115962.db2.gz RJNNNJXEXAITIC-BEFAXECRSA-N 1 2 398.438 2.792 40 0 biogenic,in-vitro GFABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000306125976 206196383 /nfs/dbraw/zinc/19/63/83/206196383.db2.gz DHXGSMXXKRZQJN-UHFFFAOYSA-N 1 2 395.438 2.754 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccoc3)CC2)C1 ZINC000306125976 206196387 /nfs/dbraw/zinc/19/63/87/206196387.db2.gz DHXGSMXXKRZQJN-UHFFFAOYSA-N 1 2 395.438 2.754 40 0 GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@H+](Cc3ccccn3)CCN21 ZINC000253399625 560040234 /nfs/dbraw/zinc/04/02/34/560040234.db2.gz JSKZMIYYOQMCIG-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@@H+](Cc3ccccn3)CCN21 ZINC000253399625 560040235 /nfs/dbraw/zinc/04/02/35/560040235.db2.gz JSKZMIYYOQMCIG-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CC[N@@H+]21 ZINC000253399625 560040236 /nfs/dbraw/zinc/04/02/36/560040236.db2.gz JSKZMIYYOQMCIG-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3ccccn3)CC[N@H+]21 ZINC000253399625 560040237 /nfs/dbraw/zinc/04/02/37/560040237.db2.gz JSKZMIYYOQMCIG-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)c4ccccc4)C[N@@H+]3C)n2)cc1 ZINC000012529909 560212865 /nfs/dbraw/zinc/21/28/65/560212865.db2.gz BAUFBBFYIFUVSZ-WMZOPIPTSA-N 1 2 378.432 2.920 40 0 biogenic,in-vitro GFABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)c4ccccc4)C[N@H+]3C)n2)cc1 ZINC000012529909 560212866 /nfs/dbraw/zinc/21/28/66/560212866.db2.gz BAUFBBFYIFUVSZ-WMZOPIPTSA-N 1 2 378.432 2.920 40 0 biogenic,in-vitro GFABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328989708 563469761 /nfs/dbraw/zinc/46/97/61/563469761.db2.gz ILRDZSBGGKDSFQ-VIFPVBQESA-N 1 2 381.249 2.636 40 0 GFABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCC3(F)F)cs1 ZINC000096078126 570210096 /nfs/dbraw/zinc/21/00/96/570210096.db2.gz QNEDSSLQGIXUOV-MRXNPFEDSA-N 1 2 381.452 2.548 40 0 GFABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCC3(F)F)cs1 ZINC000096078126 570210094 /nfs/dbraw/zinc/21/00/94/570210094.db2.gz QNEDSSLQGIXUOV-MRXNPFEDSA-N 1 2 381.452 2.548 40 0 GFABLO COc1cccc(OC)c1C[N@@H+]1[C@@H]2CC[C@H]1Cc1c(nc3cc(C)[nH]n3c1=O)C2 ZINC000100219523 570269166 /nfs/dbraw/zinc/26/91/66/570269166.db2.gz HVHYGIMIEKWTLI-LSDHHAIUSA-N 1 2 394.475 2.892 40 0 GFABLO COc1cccc(OC)c1C[N@H+]1[C@@H]2CC[C@H]1Cc1c(nc3cc(C)[nH]n3c1=O)C2 ZINC000100219523 570269168 /nfs/dbraw/zinc/26/91/68/570269168.db2.gz HVHYGIMIEKWTLI-LSDHHAIUSA-N 1 2 394.475 2.892 40 0 GFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1F ZINC000020801552 570281373 /nfs/dbraw/zinc/28/13/73/570281373.db2.gz ZTHHZNBQGXVEJT-RBUKOAKNSA-N 1 2 395.434 2.590 40 0 GFABLO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 ZINC000107231590 570308587 /nfs/dbraw/zinc/30/85/87/570308587.db2.gz GZOAZYFVOXEUOU-NYHFZMIOSA-N 1 2 396.491 2.932 40 0 GFABLO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 ZINC000107231590 570308589 /nfs/dbraw/zinc/30/85/89/570308589.db2.gz GZOAZYFVOXEUOU-NYHFZMIOSA-N 1 2 396.491 2.932 40 0 GFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000072216171 570316817 /nfs/dbraw/zinc/31/68/17/570316817.db2.gz WPYYFTNSTYVGSU-LJQANCHMSA-N 1 2 387.505 2.752 40 0 GFABLO O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000030857512 570499197 /nfs/dbraw/zinc/49/91/97/570499197.db2.gz KYBSBRPAXCKALG-UHFFFAOYSA-N 1 2 388.427 2.565 40 0 GFABLO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030941976 570501298 /nfs/dbraw/zinc/50/12/98/570501298.db2.gz WOQRJDFDJAJCKL-UHFFFAOYSA-N 1 2 392.459 2.950 40 0 GFABLO CCOc1ccccc1C(=O)NC1CC[NH+](Cc2nnnn2C2CCCC2)CC1 ZINC000004400244 570628821 /nfs/dbraw/zinc/62/88/21/570628821.db2.gz BVNKGWYCRAJWJC-UHFFFAOYSA-N 1 2 398.511 2.581 40 0 GFABLO COc1cccc(NC(=O)C[NH+]2CCC(NC(=O)c3cccc(OC)c3)CC2)c1 ZINC000004908860 570647930 /nfs/dbraw/zinc/64/79/30/570647930.db2.gz YNYLBGHVGHYNLV-UHFFFAOYSA-N 1 2 397.475 2.537 40 0 GFABLO COc1cccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000004908870 570647968 /nfs/dbraw/zinc/64/79/68/570647968.db2.gz IMJYSECSQWWNBZ-UHFFFAOYSA-N 1 2 381.476 2.837 40 0 GFABLO Cc1ccc(-n2cccc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)nc1 ZINC000019216221 570961893 /nfs/dbraw/zinc/96/18/93/570961893.db2.gz VZQRYFBWEYFMPB-UHFFFAOYSA-N 1 2 391.519 2.910 40 0 GFABLO COc1ccccc1N1C[C@@H](NC(=O)[C@@H](C)n2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286674 570970088 /nfs/dbraw/zinc/97/00/88/570970088.db2.gz LFIBFAABBNVWTF-ZBFHGGJFSA-N 1 2 392.459 2.836 40 0 GFABLO Cc1ccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365939 570980151 /nfs/dbraw/zinc/98/01/51/570980151.db2.gz GPBMMKKNJWTVGV-GOTSBHOMSA-N 1 2 394.515 2.952 40 0 GFABLO CCCN1CC[N@H+](CC(N)=O)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000585183622 571000736 /nfs/dbraw/zinc/00/07/36/571000736.db2.gz PLFGYWXOZLLJIM-QFIPXVFZSA-N 1 2 393.531 2.860 40 0 GFABLO CCCN1CC[N@@H+](CC(N)=O)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000585183622 571000738 /nfs/dbraw/zinc/00/07/38/571000738.db2.gz PLFGYWXOZLLJIM-QFIPXVFZSA-N 1 2 393.531 2.860 40 0 GFABLO CCn1c(C)[nH+]c2cc(NC(=O)C[C@H]3NC(=O)N(C4CCCCC4)C3=O)ccc21 ZINC000019656478 571023400 /nfs/dbraw/zinc/02/34/00/571023400.db2.gz BAZAFFWPNNTRCB-QGZVFWFLSA-N 1 2 397.479 2.946 40 0 GFABLO CCn1cc(-c2cc(C(=O)N[C@H](C)C[NH+]3CCOCC3)c3ccccc3n2)cn1 ZINC000019716535 571038269 /nfs/dbraw/zinc/03/82/69/571038269.db2.gz MAXGMBODFQTZJU-MRXNPFEDSA-N 1 2 393.491 2.569 40 0 GFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1C(F)(F)F ZINC000329054019 206242890 /nfs/dbraw/zinc/24/28/90/206242890.db2.gz VJAVTWZAMPDXGG-UHFFFAOYSA-N 1 2 382.386 2.763 40 0 GFABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000035313156 206640942 /nfs/dbraw/zinc/64/09/42/206640942.db2.gz JQYOOGMRECSAEV-UHFFFAOYSA-N 1 2 398.434 2.766 40 0 GFABLO COc1ccc(OC)c(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c1 ZINC000019239048 207111532 /nfs/dbraw/zinc/11/15/32/207111532.db2.gz PVRSZNXHNZDMFD-UHFFFAOYSA-N 1 2 393.447 2.523 40 0 GFABLO COc1ccc(OC)c(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c1 ZINC000019239048 207111536 /nfs/dbraw/zinc/11/15/36/207111536.db2.gz PVRSZNXHNZDMFD-UHFFFAOYSA-N 1 2 393.447 2.523 40 0 GFABLO Cc1nc2ccc(C(=O)N3CCc4nnc([C@@H]5CCC[N@H+]5C)n4CC3)cc2s1 ZINC000019706303 207150116 /nfs/dbraw/zinc/15/01/16/207150116.db2.gz MRWDNNFIGRLTMW-INIZCTEOSA-N 1 2 396.520 2.661 40 0 GFABLO Cc1nc2ccc(C(=O)N3CCc4nnc([C@@H]5CCC[N@@H+]5C)n4CC3)cc2s1 ZINC000019706303 207150121 /nfs/dbraw/zinc/15/01/21/207150121.db2.gz MRWDNNFIGRLTMW-INIZCTEOSA-N 1 2 396.520 2.661 40 0 GFABLO COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)cc1 ZINC000019588922 207140670 /nfs/dbraw/zinc/14/06/70/207140670.db2.gz OOSHTLDRRMJUNK-HXUWFJFHSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)cc1 ZINC000019588922 207140675 /nfs/dbraw/zinc/14/06/75/207140675.db2.gz OOSHTLDRRMJUNK-HXUWFJFHSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CC[N@H+]1C)OCO3 ZINC000019796064 207162337 /nfs/dbraw/zinc/16/23/37/207162337.db2.gz JZUTXVTYJDCMDU-RTBURBONSA-N 1 2 383.400 2.873 40 0 biogenic,in-vitro GFABLO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CC[N@@H+]1C)OCO3 ZINC000019796064 207162340 /nfs/dbraw/zinc/16/23/40/207162340.db2.gz JZUTXVTYJDCMDU-RTBURBONSA-N 1 2 383.400 2.873 40 0 biogenic,in-vitro GFABLO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2cc3c(cc2CC[N@H+]1C)OCO3 ZINC000019796013 207162556 /nfs/dbraw/zinc/16/25/56/207162556.db2.gz JZUTXVTYJDCMDU-OALUTQOASA-N 1 2 383.400 2.873 40 0 in-vitro GFABLO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2cc3c(cc2CC[N@@H+]1C)OCO3 ZINC000019796013 207162560 /nfs/dbraw/zinc/16/25/60/207162560.db2.gz JZUTXVTYJDCMDU-OALUTQOASA-N 1 2 383.400 2.873 40 0 in-vitro GFABLO COc1cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000044442418 207636206 /nfs/dbraw/zinc/63/62/06/207636206.db2.gz QYYAGOCDKFDJMI-UHFFFAOYSA-N 1 2 381.432 2.887 40 0 GFABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c(O)c(CN3CCOCC3)coc1=O)C2 ZINC000101342483 208392739 /nfs/dbraw/zinc/39/27/39/208392739.db2.gz PVTHFWUNDRMVNH-IIBYNOLFSA-N 1 2 376.497 2.578 40 0 GFABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c(O)c(CN3CCOCC3)coc1=O)C2 ZINC000101342483 208392744 /nfs/dbraw/zinc/39/27/44/208392744.db2.gz PVTHFWUNDRMVNH-IIBYNOLFSA-N 1 2 376.497 2.578 40 0 GFABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCOCC3)coc1=O)C2 ZINC000101342483 208392748 /nfs/dbraw/zinc/39/27/48/208392748.db2.gz PVTHFWUNDRMVNH-IIBYNOLFSA-N 1 2 376.497 2.578 40 0 GFABLO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])c(C[NH+]3CCOCC3)coc1=O)C2 ZINC000101342483 208392753 /nfs/dbraw/zinc/39/27/53/208392753.db2.gz PVTHFWUNDRMVNH-IIBYNOLFSA-N 1 2 376.497 2.578 40 0 GFABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000101344934 208392851 /nfs/dbraw/zinc/39/28/51/208392851.db2.gz WZYOORBBJIMWMJ-YSTOQKLRSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000101344934 208392858 /nfs/dbraw/zinc/39/28/58/208392858.db2.gz WZYOORBBJIMWMJ-YSTOQKLRSA-N 1 2 392.430 2.969 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000306129080 209099594 /nfs/dbraw/zinc/09/95/94/209099594.db2.gz HTYSEFLFGYCLCU-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000306129080 209099596 /nfs/dbraw/zinc/09/95/96/209099596.db2.gz HTYSEFLFGYCLCU-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO Clc1ccc(OCCc2cc([C@@H]3CN(Cc4[nH]cc[nH+]4)CCO3)[nH]n2)cc1 ZINC000257215175 209058427 /nfs/dbraw/zinc/05/84/27/209058427.db2.gz CPBJLNFKKVATEJ-SFHVURJKSA-N 1 2 387.871 2.981 40 0 GFABLO O=C(C[NH+]1CCC(N2CCc3ccccc3C2=O)CC1)Nc1ccccc1F ZINC000257249937 209059940 /nfs/dbraw/zinc/05/99/40/209059940.db2.gz JKIMEZYDAMOCPA-UHFFFAOYSA-N 1 2 381.451 2.927 40 0 GFABLO Cc1noc(C)c1-c1cccc([C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)n1 ZINC000257254453 209062466 /nfs/dbraw/zinc/06/24/66/209062466.db2.gz KDCPNHDQIHTDNR-GOSISDBHSA-N 1 2 381.436 2.540 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccncc4)C3)n2)n1C ZINC000257335321 209079318 /nfs/dbraw/zinc/07/93/18/209079318.db2.gz YJRSEKPPPQSZEV-MRXNPFEDSA-N 1 2 376.464 2.675 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107798528 570310969 /nfs/dbraw/zinc/31/09/69/570310969.db2.gz HGSIBYOOHYUPLA-MJGOQNOKSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107798528 570310971 /nfs/dbraw/zinc/31/09/71/570310971.db2.gz HGSIBYOOHYUPLA-MJGOQNOKSA-N 1 2 376.909 2.986 40 0 GFABLO CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670390 570367864 /nfs/dbraw/zinc/36/78/64/570367864.db2.gz VVEDKJNPNPKZSO-MOPGFXCFSA-N 1 2 388.491 2.511 40 0 GFABLO CC(C)(C)OC(=O)NC1C[NH+](C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000039952020 570594104 /nfs/dbraw/zinc/59/41/04/570594104.db2.gz MZPCJQVDYBMIOK-UHFFFAOYSA-N 1 2 389.496 2.997 40 0 GFABLO Cc1nn2c(nnc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(F)cc1 ZINC000040391991 570600217 /nfs/dbraw/zinc/60/02/17/570600217.db2.gz LAGRXTILQKSYOX-UHFFFAOYSA-N 1 2 389.394 2.520 40 0 GFABLO Cc1nn2c(nnc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(F)cc1 ZINC000040391991 570600222 /nfs/dbraw/zinc/60/02/22/570600222.db2.gz LAGRXTILQKSYOX-UHFFFAOYSA-N 1 2 389.394 2.520 40 0 GFABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118499 570612722 /nfs/dbraw/zinc/61/27/22/570612722.db2.gz KPHOJBBZTDDYMJ-OAHLLOKOSA-N 1 2 396.451 2.863 40 0 GFABLO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(=O)Nc3cc(C)on3)C2)on1 ZINC000012118499 570612723 /nfs/dbraw/zinc/61/27/23/570612723.db2.gz KPHOJBBZTDDYMJ-OAHLLOKOSA-N 1 2 396.451 2.863 40 0 GFABLO CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000012145840 570616304 /nfs/dbraw/zinc/61/63/04/570616304.db2.gz QLKFUACXFAGEJH-KRWDZBQOSA-N 1 2 380.496 2.676 40 0 GFABLO COc1cc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc(OC)c1 ZINC000012327655 570643607 /nfs/dbraw/zinc/64/36/07/570643607.db2.gz WMJFXHUUHJOPDT-UHFFFAOYSA-N 1 2 380.448 2.888 40 0 GFABLO COc1cc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc(OC)c1 ZINC000012327655 570643611 /nfs/dbraw/zinc/64/36/11/570643611.db2.gz WMJFXHUUHJOPDT-UHFFFAOYSA-N 1 2 380.448 2.888 40 0 GFABLO C[C@@H](CC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21)n1cc[nH+]c1 ZINC000072327797 570879530 /nfs/dbraw/zinc/87/95/30/570879530.db2.gz KXGGTRQPRFAFOQ-ZJBJCVSYSA-N 1 2 396.491 2.855 40 0 GFABLO COCCN1Cc2c(-c3ccccc3)[nH+]c(N)n2N(Cc2ccccc2OC)C1 ZINC000169681383 570904649 /nfs/dbraw/zinc/90/46/49/570904649.db2.gz GPYPZTULPVSCBW-UHFFFAOYSA-N 1 2 393.491 2.699 40 0 GFABLO COc1cccc([C@H]([NH3+])c2nc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000095533566 655029578 /nfs/dbraw/zinc/02/95/78/655029578.db2.gz DYAYSWPDAAWKAU-AWEZNQCLSA-N 1 2 375.226 2.997 40 0 GFABLO CCOCC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306145125 209107507 /nfs/dbraw/zinc/10/75/07/209107507.db2.gz ZYVFVHNAZQMUCH-HXUWFJFHSA-N 1 2 376.460 2.837 40 0 GFABLO OCCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329034784 206242469 /nfs/dbraw/zinc/24/24/69/206242469.db2.gz QZUNQKOJDLIBSZ-UHFFFAOYSA-N 1 2 399.292 2.766 40 0 GFABLO COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000782670 206261282 /nfs/dbraw/zinc/26/12/82/206261282.db2.gz ZAWKHNDPQSAGDT-GOSISDBHSA-N 1 2 396.495 2.854 40 0 GFABLO CC(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1ccccc1N(C[NH+](C)C)C2=O ZINC000013635447 206985470 /nfs/dbraw/zinc/98/54/70/206985470.db2.gz ZHNZGWOGDAKWAI-QHCPKHFHSA-N 1 2 388.471 2.682 40 0 GFABLO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018624 207099478 /nfs/dbraw/zinc/09/94/78/207099478.db2.gz FISBXFHKKZXMGX-LJQANCHMSA-N 1 2 384.455 2.736 40 0 GFABLO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCOc3ccccc3F)ncc2C1 ZINC000019018624 207099482 /nfs/dbraw/zinc/09/94/82/207099482.db2.gz FISBXFHKKZXMGX-LJQANCHMSA-N 1 2 384.455 2.736 40 0 GFABLO COc1cccc(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c1OC ZINC000019239062 207110665 /nfs/dbraw/zinc/11/06/65/207110665.db2.gz NLCQJTFLHRSISX-UHFFFAOYSA-N 1 2 393.447 2.523 40 0 GFABLO Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)n1 ZINC000019285837 207113105 /nfs/dbraw/zinc/11/31/05/207113105.db2.gz RTUWZSMFWRUQFI-GFCCVEGCSA-N 1 2 386.525 2.955 40 0 GFABLO COc1cccc(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c1OC ZINC000019239062 207110669 /nfs/dbraw/zinc/11/06/69/207110669.db2.gz NLCQJTFLHRSISX-UHFFFAOYSA-N 1 2 393.447 2.523 40 0 GFABLO CCOc1ncccc1C(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3C)ncc2C1 ZINC000019531519 207130770 /nfs/dbraw/zinc/13/07/70/207130770.db2.gz FWCGOUJBIDMCIQ-GOSISDBHSA-N 1 2 381.480 2.626 40 0 GFABLO CCOc1ncccc1C(=O)N1CCc2nc([C@H]3CCCC[N@H+]3C)ncc2C1 ZINC000019531519 207130772 /nfs/dbraw/zinc/13/07/72/207130772.db2.gz FWCGOUJBIDMCIQ-GOSISDBHSA-N 1 2 381.480 2.626 40 0 GFABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706454 207150942 /nfs/dbraw/zinc/15/09/42/207150942.db2.gz DPBNNPFAFAHYTG-HNNXBMFYSA-N 1 2 386.500 2.553 40 0 GFABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706454 207150946 /nfs/dbraw/zinc/15/09/46/207150946.db2.gz DPBNNPFAFAHYTG-HNNXBMFYSA-N 1 2 386.500 2.553 40 0 GFABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)NCc1nnc2n1CCCCC2 ZINC000019719126 207155486 /nfs/dbraw/zinc/15/54/86/207155486.db2.gz RUVZEUDMFSDZHM-UHFFFAOYSA-N 1 2 380.496 2.869 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000020634581 207209129 /nfs/dbraw/zinc/20/91/29/207209129.db2.gz YXWDVVGBDRWNGP-HNNXBMFYSA-N 1 2 398.381 2.612 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000072360782 208003733 /nfs/dbraw/zinc/00/37/33/208003733.db2.gz PWHQAXSOHBXGLD-KRWDZBQOSA-N 1 2 383.477 2.970 40 0 GFABLO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+]2Cc2ccccc2N2CCCC2)C1 ZINC000072373872 208009516 /nfs/dbraw/zinc/00/95/16/208009516.db2.gz GFJYFTZPPXTICV-FQEVSTJZSA-N 1 2 394.523 2.578 40 0 GFABLO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+]2Cc2ccccc2N2CCCC2)C1 ZINC000072373872 208009525 /nfs/dbraw/zinc/00/95/25/208009525.db2.gz GFJYFTZPPXTICV-FQEVSTJZSA-N 1 2 394.523 2.578 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306132871 209102149 /nfs/dbraw/zinc/10/21/49/209102149.db2.gz LUYHEHQKHBSJSK-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306132871 209102153 /nfs/dbraw/zinc/10/21/53/209102153.db2.gz LUYHEHQKHBSJSK-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306129082 209099111 /nfs/dbraw/zinc/09/91/11/209099111.db2.gz HTYSEFLFGYCLCU-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306129082 209099116 /nfs/dbraw/zinc/09/91/16/209099116.db2.gz HTYSEFLFGYCLCU-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257255857 209061621 /nfs/dbraw/zinc/06/16/21/209061621.db2.gz KJDZCJPNGZNDKQ-OAQYLSRUSA-N 1 2 375.432 2.641 40 0 GFABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257255857 209061626 /nfs/dbraw/zinc/06/16/26/209061626.db2.gz KJDZCJPNGZNDKQ-OAQYLSRUSA-N 1 2 375.432 2.641 40 0 GFABLO C[N@H+](CC(=O)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1)Cc1ccccn1 ZINC000257210842 209055525 /nfs/dbraw/zinc/05/55/25/209055525.db2.gz BWJRZVQHZJZKTK-DQLDELGASA-N 1 2 383.467 2.969 40 0 GFABLO C[N@@H+](CC(=O)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1)Cc1ccccn1 ZINC000257210842 209055529 /nfs/dbraw/zinc/05/55/29/209055529.db2.gz BWJRZVQHZJZKTK-DQLDELGASA-N 1 2 383.467 2.969 40 0 GFABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@H](O)[C@]4(CCCO4)C3)c2)cs1 ZINC000257218359 209057326 /nfs/dbraw/zinc/05/73/26/209057326.db2.gz DCVUFVLIOCUJBC-ICSRJNTNSA-N 1 2 387.505 2.673 40 0 GFABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@H](O)[C@]4(CCCO4)C3)c2)cs1 ZINC000257218359 209057331 /nfs/dbraw/zinc/05/73/31/209057331.db2.gz DCVUFVLIOCUJBC-ICSRJNTNSA-N 1 2 387.505 2.673 40 0 GFABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCO2 ZINC000257255203 209062709 /nfs/dbraw/zinc/06/27/09/209062709.db2.gz KGNMRQCPCINESF-QAPCUYQASA-N 1 2 379.457 2.644 40 0 GFABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCO2 ZINC000257255203 209062713 /nfs/dbraw/zinc/06/27/13/209062713.db2.gz KGNMRQCPCINESF-QAPCUYQASA-N 1 2 379.457 2.644 40 0 GFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257279807 209067585 /nfs/dbraw/zinc/06/75/85/209067585.db2.gz OIGDEPMLTHBYFW-FQEVSTJZSA-N 1 2 376.464 2.573 40 0 GFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257279807 209067589 /nfs/dbraw/zinc/06/75/89/209067589.db2.gz OIGDEPMLTHBYFW-FQEVSTJZSA-N 1 2 376.464 2.573 40 0 GFABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2[nH+]cnc3c2cnn3-c2ccccc2)C1 ZINC000004411255 136193974 /nfs/dbraw/zinc/19/39/74/136193974.db2.gz QWYGLTNELAHRCK-CVEARBPZSA-N 1 2 384.443 2.601 40 0 GFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257306898 209073322 /nfs/dbraw/zinc/07/33/22/209073322.db2.gz SWMNKVGYTDEOPB-UGKGYDQZSA-N 1 2 397.450 2.755 40 0 GFABLO COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-n3cc[nH+]c3)C2)cc1 ZINC000072350657 222238311 /nfs/dbraw/zinc/23/83/11/222238311.db2.gz NNLVLJBSPOWYDB-QGZVFWFLSA-N 1 2 377.448 2.620 40 0 GFABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)ccn1 ZINC000035424808 560080408 /nfs/dbraw/zinc/08/04/08/560080408.db2.gz YZFRVBBUFRPNBY-KRWDZBQOSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)ccn1 ZINC000035424808 560080409 /nfs/dbraw/zinc/08/04/09/560080409.db2.gz YZFRVBBUFRPNBY-KRWDZBQOSA-N 1 2 381.436 2.889 40 0 biogenic,in-vitro GFABLO C[N@@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464062 560092752 /nfs/dbraw/zinc/09/27/52/560092752.db2.gz LRDZEJQJPHOURZ-JSGCOSHPSA-N 1 2 396.369 2.907 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464062 560092753 /nfs/dbraw/zinc/09/27/53/560092753.db2.gz LRDZEJQJPHOURZ-JSGCOSHPSA-N 1 2 396.369 2.907 40 0 biogenic,in-vitro GFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2[nH]cc[nH+]2)C1 ZINC000015674282 560230950 /nfs/dbraw/zinc/23/09/50/560230950.db2.gz GLPKNUQMQAQSCW-YPMHNXCESA-N 1 2 395.341 2.666 40 0 biogenic,in-vitro GFABLO C[C@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000328968067 563469102 /nfs/dbraw/zinc/46/91/02/563469102.db2.gz CXHHGWRLWWFVLA-SECBINFHSA-N 1 2 381.249 2.636 40 0 GFABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000329021731 563470418 /nfs/dbraw/zinc/47/04/18/563470418.db2.gz OIBVMHYFXXJSCR-UHFFFAOYSA-N 1 2 377.286 2.725 40 0 GFABLO CCNc1nc(N2CC[NH+](CC)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000020801836 570281749 /nfs/dbraw/zinc/28/17/49/570281749.db2.gz FLNJILPGVVMFNL-QGZVFWFLSA-N 1 2 379.508 2.963 40 0 GFABLO COc1ccccc1N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038836245 570587141 /nfs/dbraw/zinc/58/71/41/570587141.db2.gz BRKSFIYLTTWLST-UHFFFAOYSA-N 1 2 376.460 2.902 40 0 GFABLO O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH+]c[nH]1 ZINC000040395844 570600666 /nfs/dbraw/zinc/60/06/66/570600666.db2.gz NCZSSHXWWCOXJM-UHFFFAOYSA-N 1 2 391.822 2.725 40 0 GFABLO O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c[nH+]1 ZINC000040395844 570600670 /nfs/dbraw/zinc/60/06/70/570600670.db2.gz NCZSSHXWWCOXJM-UHFFFAOYSA-N 1 2 391.822 2.725 40 0 GFABLO COc1ccc(CN(Cc2c[nH+]cn2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012116774 570611707 /nfs/dbraw/zinc/61/17/07/570611707.db2.gz RMXVGOHGQMGXDG-KRWDZBQOSA-N 1 2 375.469 2.627 40 0 GFABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@H+](Cc1cnc(N)nc1)CC2 ZINC000012363854 570645989 /nfs/dbraw/zinc/64/59/89/570645989.db2.gz RHRSXZXULWMWCS-FQEVSTJZSA-N 1 2 377.448 2.619 40 0 GFABLO COc1cc2c(cc1OC)[C@H](c1ccncc1)[N@@H+](Cc1cnc(N)nc1)CC2 ZINC000012363854 570645991 /nfs/dbraw/zinc/64/59/91/570645991.db2.gz RHRSXZXULWMWCS-FQEVSTJZSA-N 1 2 377.448 2.619 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000014607415 570893165 /nfs/dbraw/zinc/89/31/65/570893165.db2.gz SGYNYWXMKKYZDQ-SMDDNHRTSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000014607415 570893170 /nfs/dbraw/zinc/89/31/70/570893170.db2.gz SGYNYWXMKKYZDQ-SMDDNHRTSA-N 1 2 399.274 2.900 40 0 GFABLO COc1cccc([C@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)c1OC ZINC000257285783 570903052 /nfs/dbraw/zinc/90/30/52/570903052.db2.gz PIWOIMWMPOQPPG-MPGHIAIKSA-N 1 2 387.480 2.848 40 0 GFABLO CCCN1CC[N@H+](CC(N)=O)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000585183621 571000776 /nfs/dbraw/zinc/00/07/76/571000776.db2.gz PLFGYWXOZLLJIM-JOCHJYFZSA-N 1 2 393.531 2.860 40 0 GFABLO CCCN1CC[N@@H+](CC(N)=O)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000585183621 571000777 /nfs/dbraw/zinc/00/07/77/571000777.db2.gz PLFGYWXOZLLJIM-JOCHJYFZSA-N 1 2 393.531 2.860 40 0 GFABLO OCCCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329042568 206242422 /nfs/dbraw/zinc/24/24/22/206242422.db2.gz SNYNJBIZEBCYJZ-UHFFFAOYSA-N 1 2 381.249 2.637 40 0 GFABLO CC(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019085500 207103365 /nfs/dbraw/zinc/10/33/65/207103365.db2.gz KLHYINAYEFVPMI-HNNXBMFYSA-N 1 2 385.512 2.563 40 0 GFABLO CC(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019085500 207103369 /nfs/dbraw/zinc/10/33/69/207103369.db2.gz KLHYINAYEFVPMI-HNNXBMFYSA-N 1 2 385.512 2.563 40 0 GFABLO Cc1ccc(S(=O)(=O)Cc2csc(NC(=O)[C@H](C)n3cc[nH+]c3)n2)cc1 ZINC000019211117 207106328 /nfs/dbraw/zinc/10/63/28/207106328.db2.gz YBMAQKSZFKPEQM-ZDUSSCGKSA-N 1 2 390.490 2.822 40 0 GFABLO O=C(Nc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnc(N2CCCC2)c1 ZINC000019330956 207116025 /nfs/dbraw/zinc/11/60/25/207116025.db2.gz DPVYTGBGDYXYKS-UHFFFAOYSA-N 1 2 396.491 2.645 40 0 GFABLO C[C@](O)(c1ccccc1)[C@H]([C@@H](c1ccccc1)[NH+]1CCOCC1)N1CCOCC1 ZINC000019367098 207118014 /nfs/dbraw/zinc/11/80/14/207118014.db2.gz MFDVLMOVSSULIJ-SGNDLWITSA-N 1 2 396.531 2.668 40 0 GFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccccc1F)CC3 ZINC000019550851 207130318 /nfs/dbraw/zinc/13/03/18/207130318.db2.gz FPTRGVLKTYYRIX-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccccc1F)CC3 ZINC000019550851 207130322 /nfs/dbraw/zinc/13/03/22/207130322.db2.gz FPTRGVLKTYYRIX-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1C ZINC000020674053 207209862 /nfs/dbraw/zinc/20/98/62/207209862.db2.gz GIBAFJIDFZUBKV-OAHLLOKOSA-N 1 2 394.479 2.730 40 0 GFABLO COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)cc1 ZINC000096060774 208259108 /nfs/dbraw/zinc/25/91/08/208259108.db2.gz NWQRUIXJJDQAFK-QGZVFWFLSA-N 1 2 379.464 2.535 40 0 GFABLO COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)cc1 ZINC000096060774 208259114 /nfs/dbraw/zinc/25/91/14/208259114.db2.gz NWQRUIXJJDQAFK-QGZVFWFLSA-N 1 2 379.464 2.535 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccc(F)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306131171 209101565 /nfs/dbraw/zinc/10/15/65/209101565.db2.gz JYCNHOQULPSQJQ-FPOVZHCZSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306131171 209101568 /nfs/dbraw/zinc/10/15/68/209101568.db2.gz JYCNHOQULPSQJQ-FPOVZHCZSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1ccc(C(=O)N2CCC3(CCc4[nH+]cc(-c5ccncc5)n4C3)CC2)n1 ZINC000306125701 209096542 /nfs/dbraw/zinc/09/65/42/209096542.db2.gz CYXCYNIVZJGNDX-UHFFFAOYSA-N 1 2 376.464 2.547 40 0 GFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@]2(C[C@@H](Oc3cccc(Cl)c3)CO2)C1 ZINC000257300228 209071710 /nfs/dbraw/zinc/07/17/10/209071710.db2.gz RTOYBNRZILPDBX-IEBWSBKVSA-N 1 2 375.856 2.766 40 0 GFABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)Cc2ccncc2)CC1 ZINC000072350637 222238444 /nfs/dbraw/zinc/23/84/44/222238444.db2.gz RTCRNPPBGFYWSS-UHFFFAOYSA-N 1 2 376.464 2.568 40 0 GFABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514289975 560031179 /nfs/dbraw/zinc/03/11/79/560031179.db2.gz RWICIDOJZYQUFI-SLFFLAALSA-N 1 2 392.496 2.716 40 0 biogenic,in-vitro GFABLO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514289975 560031181 /nfs/dbraw/zinc/03/11/81/560031181.db2.gz RWICIDOJZYQUFI-SLFFLAALSA-N 1 2 392.496 2.716 40 0 biogenic,in-vitro GFABLO Cc1ccc2[nH+]cc(-c3cccc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)n3)n2c1 ZINC000585262732 570230571 /nfs/dbraw/zinc/23/05/71/570230571.db2.gz ASYKRDVVZXZALJ-INIZCTEOSA-N 1 2 399.520 2.691 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cccc(C)c3)C1=O)CC2 ZINC000102331996 570288434 /nfs/dbraw/zinc/28/84/34/570288434.db2.gz JDCZBUXLGZUYSW-GOSISDBHSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cccc(C)c3)C1=O)CC2 ZINC000102331996 570288435 /nfs/dbraw/zinc/28/84/35/570288435.db2.gz JDCZBUXLGZUYSW-GOSISDBHSA-N 1 2 380.444 2.702 40 0 GFABLO CC[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1 ZINC000657085799 570292538 /nfs/dbraw/zinc/29/25/38/570292538.db2.gz STJIUIOKKMUWJY-IRXDYDNUSA-N 1 2 395.550 2.500 40 0 GFABLO CC[N@H+]1CCO[C@@H](CNS(=O)(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1 ZINC000657085799 570292541 /nfs/dbraw/zinc/29/25/41/570292541.db2.gz STJIUIOKKMUWJY-IRXDYDNUSA-N 1 2 395.550 2.500 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000103512593 570295629 /nfs/dbraw/zinc/29/56/29/570295629.db2.gz GMTQUPLCNPNNBD-NCXUSEDFSA-N 1 2 378.403 2.661 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000103512593 570295632 /nfs/dbraw/zinc/29/56/32/570295632.db2.gz GMTQUPLCNPNNBD-NCXUSEDFSA-N 1 2 378.403 2.661 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(C(=O)COCc3ccccc3)C2)cc[nH+]1 ZINC000072356495 570327013 /nfs/dbraw/zinc/32/70/13/570327013.db2.gz RMCKCHXGVSIYBJ-SFHVURJKSA-N 1 2 391.475 2.977 40 0 GFABLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCc3ccc4occc4c3)ccn2)CC1 ZINC000685939002 570398536 /nfs/dbraw/zinc/39/85/36/570398536.db2.gz MXKTVYGIEZGVCI-UHFFFAOYSA-N 1 2 393.447 2.537 40 0 GFABLO CCCCCCC(=O)CCCCCC/C=C\C[C@H]1OC(=O)[C@@]([NH3+])(CO)[C@H]1O ZINC000005202875 570431127 /nfs/dbraw/zinc/43/11/27/570431127.db2.gz SWRBTIXRGZAKBN-USXQHOBPSA-N 1 2 383.529 2.789 40 0 GFABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1CCC[NH+]1CCOCC1 ZINC000223167840 570447626 /nfs/dbraw/zinc/44/76/26/570447626.db2.gz UORXBURSLLEINS-ROUUACIJSA-N 1 2 388.562 2.838 40 0 GFABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)[nH]1 ZINC000223170496 570448081 /nfs/dbraw/zinc/44/80/81/570448081.db2.gz ZBGLRWBNVMTMBV-VQTJNVASSA-N 1 2 399.564 2.721 40 0 GFABLO CC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057669977 570702698 /nfs/dbraw/zinc/70/26/98/570702698.db2.gz AQYDWJLLFQFFDZ-MRXNPFEDSA-N 1 2 398.433 2.612 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000017081438 570919431 /nfs/dbraw/zinc/91/94/31/570919431.db2.gz BFPLSOZROXFXCI-SWLSCSKDSA-N 1 2 398.381 2.612 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)C1 ZINC000017081438 570919433 /nfs/dbraw/zinc/91/94/33/570919433.db2.gz BFPLSOZROXFXCI-SWLSCSKDSA-N 1 2 398.381 2.612 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)cc1 ZINC000019016873 207099435 /nfs/dbraw/zinc/09/94/35/207099435.db2.gz KWWHZPADSWLVPK-UHFFFAOYSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc(C[N@H+]2CCc3nc(C4CCN(C(C)=O)CC4)ncc3C2)cc1 ZINC000019016873 207099440 /nfs/dbraw/zinc/09/94/40/207099440.db2.gz KWWHZPADSWLVPK-UHFFFAOYSA-N 1 2 380.492 2.769 40 0 GFABLO CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000019082386 207102562 /nfs/dbraw/zinc/10/25/62/207102562.db2.gz HQFDTJQBQIMLNP-MRXNPFEDSA-N 1 2 381.524 2.914 40 0 GFABLO CC(C)c1[nH+]c2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc2n1C ZINC000019453805 207123538 /nfs/dbraw/zinc/12/35/38/207123538.db2.gz QOELGNYXTXIOGR-UHFFFAOYSA-N 1 2 397.479 2.890 40 0 GFABLO Cc1cc2[nH]c(CCNC(=O)c3ccc(N4CCOCC4)cc3)[nH+]c2cc1C ZINC000019717132 207153798 /nfs/dbraw/zinc/15/37/98/207153798.db2.gz LIMFPRKOLPNQLA-UHFFFAOYSA-N 1 2 378.476 2.989 40 0 GFABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCC3(F)F)cs1 ZINC000096078127 208260605 /nfs/dbraw/zinc/26/06/05/208260605.db2.gz QNEDSSLQGIXUOV-INIZCTEOSA-N 1 2 381.452 2.548 40 0 GFABLO Cc1nc(C[N@H+]2CC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCC3(F)F)cs1 ZINC000096078127 208260608 /nfs/dbraw/zinc/26/06/08/208260608.db2.gz QNEDSSLQGIXUOV-INIZCTEOSA-N 1 2 381.452 2.548 40 0 GFABLO C[NH+]1CCN(C(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn32)CC1 ZINC000096266958 208298468 /nfs/dbraw/zinc/29/84/68/208298468.db2.gz PAUKQTBEBDYFCX-UHFFFAOYSA-N 1 2 386.459 2.575 40 0 GFABLO O=C(C1CC1)N1CC[N@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306138062 209104021 /nfs/dbraw/zinc/10/40/21/209104021.db2.gz ROAXHXSSZTVNDX-HXUWFJFHSA-N 1 2 393.535 2.940 40 0 GFABLO O=C(C1CC1)N1CC[N@@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306138062 209104023 /nfs/dbraw/zinc/10/40/23/209104023.db2.gz ROAXHXSSZTVNDX-HXUWFJFHSA-N 1 2 393.535 2.940 40 0 GFABLO Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223167613 208894111 /nfs/dbraw/zinc/89/41/11/208894111.db2.gz FCCXBLSRWNGKAX-RBUKOAKNSA-N 1 2 386.521 2.678 40 0 GFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)N3CCCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306122956 209094324 /nfs/dbraw/zinc/09/43/24/209094324.db2.gz AAMLPBLTZGLBNU-PGRDOPGGSA-N 1 2 399.539 2.708 40 0 GFABLO c1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)cc2c1OCO2 ZINC000248338836 209032583 /nfs/dbraw/zinc/03/25/83/209032583.db2.gz RZSAOZHTMUYTBY-GOSISDBHSA-N 1 2 375.465 2.592 40 0 GFABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1c(C)[nH+]c3ccccc31)C2 ZINC000257277363 209065708 /nfs/dbraw/zinc/06/57/08/209065708.db2.gz NXRWYHCIYGQMGD-QRXQEZHUSA-N 1 2 380.492 2.735 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000005205236 570250371 /nfs/dbraw/zinc/25/03/71/570250371.db2.gz WRRUROFEEKQBIT-NCXUSEDFSA-N 1 2 378.403 2.661 40 0 GFABLO O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000005205236 570250373 /nfs/dbraw/zinc/25/03/73/570250373.db2.gz WRRUROFEEKQBIT-NCXUSEDFSA-N 1 2 378.403 2.661 40 0 GFABLO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2C(=O)C[C@H](C)C3)cc1 ZINC000020801920 570281719 /nfs/dbraw/zinc/28/17/19/570281719.db2.gz VRRYIBXZDFXSLV-CQSZACIVSA-N 1 2 381.480 2.746 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)CC1 ZINC000102241936 570287816 /nfs/dbraw/zinc/28/78/16/570287816.db2.gz ZVNPVBRKTXHWQE-INIZCTEOSA-N 1 2 378.856 2.555 40 0 GFABLO C[C@@]1(O)CC[N@H+](Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383318 570354131 /nfs/dbraw/zinc/35/41/31/570354131.db2.gz VQRMGEKHQDZJGS-QNWVGRARSA-N 1 2 394.519 2.850 40 0 biogenic,in-vitro GFABLO C[C@@]1(O)CC[N@@H+](Cc2cncnc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383318 570354135 /nfs/dbraw/zinc/35/41/35/570354135.db2.gz VQRMGEKHQDZJGS-QNWVGRARSA-N 1 2 394.519 2.850 40 0 biogenic,in-vitro GFABLO CCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670014 570367460 /nfs/dbraw/zinc/36/74/60/570367460.db2.gz PDDYNICXSSVTRZ-QGZVFWFLSA-N 1 2 392.935 2.945 40 0 GFABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670319 570367856 /nfs/dbraw/zinc/36/78/56/570367856.db2.gz IHMHLQQTDROYTA-RBUKOAKNSA-N 1 2 388.491 2.655 40 0 GFABLO COc1ccc(-c2c(C)s/c(=N\C(C)=O)n2CCC[NH+]2CCOCC2)cc1 ZINC000102970659 570384391 /nfs/dbraw/zinc/38/43/91/570384391.db2.gz GWEFOPBCJZZCBE-MRCUWXFGSA-N 1 2 389.521 2.703 40 0 GFABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000892797 570512392 /nfs/dbraw/zinc/51/23/92/570512392.db2.gz KFDVDCDKSVQDBN-IBGZPJMESA-N 1 2 394.479 2.824 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1OC)C[N@@H+](C)CC2 ZINC000225048132 570545210 /nfs/dbraw/zinc/54/52/10/570545210.db2.gz QPJJZNJFXPVEKS-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1OC)C[N@H+](C)CC2 ZINC000225048132 570545215 /nfs/dbraw/zinc/54/52/15/570545215.db2.gz QPJJZNJFXPVEKS-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO CCc1[nH+]c2cc(NC(=O)Cn3cnc4sc(C)cc4c3=O)ccc2n1C ZINC000012116905 570611656 /nfs/dbraw/zinc/61/16/56/570611656.db2.gz HJBHMGOBVHINLV-UHFFFAOYSA-N 1 2 381.461 2.854 40 0 GFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847553 570633977 /nfs/dbraw/zinc/63/39/77/570633977.db2.gz GICXFLXNWDVPNP-SFHVURJKSA-N 1 2 398.511 2.524 40 0 GFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847553 570633981 /nfs/dbraw/zinc/63/39/81/570633981.db2.gz GICXFLXNWDVPNP-SFHVURJKSA-N 1 2 398.511 2.524 40 0 GFABLO COc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044908696 570642471 /nfs/dbraw/zinc/64/24/71/570642471.db2.gz STEUOTINNHWBCF-KRWDZBQOSA-N 1 2 384.476 2.725 40 0 GFABLO CC(C)c1ccc(C(=O)N2CCN(c3ccc([NH3+])cc3-n3cnnc3)CC2)cc1 ZINC000070461830 570826935 /nfs/dbraw/zinc/82/69/35/570826935.db2.gz KGSQUZCERNSKKL-UHFFFAOYSA-N 1 2 390.491 2.935 40 0 GFABLO CCCOC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340276 570880540 /nfs/dbraw/zinc/88/05/40/570880540.db2.gz IXMLMCBAXDISNI-LLGFUMIMSA-N 1 2 391.439 2.634 40 0 GFABLO CCCOC(=O)C[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)cc1 ZINC000072340276 570880543 /nfs/dbraw/zinc/88/05/43/570880543.db2.gz IXMLMCBAXDISNI-LLGFUMIMSA-N 1 2 391.439 2.634 40 0 GFABLO CCOC(=O)c1s/c(=N\c2ccccc2)n(CC[NH+]2CCOCC2)c1C ZINC000004614473 570986672 /nfs/dbraw/zinc/98/66/72/570986672.db2.gz NNKWYALWYMFCCR-VXPUYCOJSA-N 1 2 375.494 2.599 40 0 GFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCCC3)cc2c1 ZINC000000782694 206259962 /nfs/dbraw/zinc/25/99/62/206259962.db2.gz RLZMTSDPSCPAPV-GOSISDBHSA-N 1 2 396.495 2.854 40 0 GFABLO Cn1cc[nH+]c1[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019291311 207113882 /nfs/dbraw/zinc/11/38/82/207113882.db2.gz FUVNVFPQHWAMLC-GFOJFJKKSA-N 1 2 376.504 2.866 40 0 GFABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)n1 ZINC000019572947 207138490 /nfs/dbraw/zinc/13/84/90/207138490.db2.gz DNBZVSRIYBPITH-YLJYHZDGSA-N 1 2 396.539 2.983 40 0 GFABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)n1 ZINC000019572947 207138493 /nfs/dbraw/zinc/13/84/93/207138493.db2.gz DNBZVSRIYBPITH-YLJYHZDGSA-N 1 2 396.539 2.983 40 0 GFABLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(nc2N)CC[N@H+](C)C3)c1 ZINC000019700645 207149566 /nfs/dbraw/zinc/14/95/66/207149566.db2.gz NGOZTJCRHNJYPX-IBGZPJMESA-N 1 2 396.491 2.646 40 0 GFABLO COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(nc2N)CC[N@@H+](C)C3)c1 ZINC000019700645 207149570 /nfs/dbraw/zinc/14/95/70/207149570.db2.gz NGOZTJCRHNJYPX-IBGZPJMESA-N 1 2 396.491 2.646 40 0 GFABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706455 207149799 /nfs/dbraw/zinc/14/97/99/207149799.db2.gz DPBNNPFAFAHYTG-OAHLLOKOSA-N 1 2 386.500 2.553 40 0 GFABLO Cc1onc(C(C)C)c1C(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706455 207149803 /nfs/dbraw/zinc/14/98/03/207149803.db2.gz DPBNNPFAFAHYTG-OAHLLOKOSA-N 1 2 386.500 2.553 40 0 GFABLO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@@H+](Cc2ccnc4ccccc24)C3)C1 ZINC000019711090 207152371 /nfs/dbraw/zinc/15/23/71/207152371.db2.gz SXUAOGUHTWTALP-GOSISDBHSA-N 1 2 390.491 2.568 40 0 GFABLO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](Cc2ccnc4ccccc24)C3)C1 ZINC000019711090 207152376 /nfs/dbraw/zinc/15/23/76/207152376.db2.gz SXUAOGUHTWTALP-GOSISDBHSA-N 1 2 390.491 2.568 40 0 GFABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c(F)c1 ZINC000019974065 207173412 /nfs/dbraw/zinc/17/34/12/207173412.db2.gz ZUGYFIAZWUIGKK-GFCCVEGCSA-N 1 2 398.442 2.561 40 0 GFABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1ccncc1)N(Cc1cccnc1)CC2 ZINC000096147247 208274849 /nfs/dbraw/zinc/27/48/49/208274849.db2.gz MXAUFGQWFCZHNV-NRFANRHFSA-N 1 2 390.491 2.670 40 0 GFABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4ccsc4)CCO3)C2)cs1 ZINC000096049809 208256670 /nfs/dbraw/zinc/25/66/70/208256670.db2.gz MXZAQBYGDLYJLB-SFHVURJKSA-N 1 2 379.551 2.616 40 0 GFABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4ccsc4)CCO3)C2)cs1 ZINC000096049809 208256673 /nfs/dbraw/zinc/25/66/73/208256673.db2.gz MXZAQBYGDLYJLB-SFHVURJKSA-N 1 2 379.551 2.616 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080566 208260338 /nfs/dbraw/zinc/26/03/38/208260338.db2.gz LTIICTDNKUPHIX-IEBWSBKVSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3Cl)[C@@H]2C1 ZINC000096080566 208260346 /nfs/dbraw/zinc/26/03/46/208260346.db2.gz LTIICTDNKUPHIX-IEBWSBKVSA-N 1 2 376.909 2.986 40 0 GFABLO O=C(c1cnc2ccccc2c1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259587 208295579 /nfs/dbraw/zinc/29/55/79/208295579.db2.gz FLLLOYUMQLSJGR-UHFFFAOYSA-N 1 2 390.491 2.858 40 0 GFABLO CC(C)NC(=O)c1cn(-c2[nH+]c(CNc3cccnc3)c3ccccn32)cn1 ZINC000096267075 208301089 /nfs/dbraw/zinc/30/10/89/208301089.db2.gz CDZYOHIJKYLROH-UHFFFAOYSA-N 1 2 375.436 2.665 40 0 GFABLO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000005976414 208674194 /nfs/dbraw/zinc/67/41/94/208674194.db2.gz FFSYLZQGKTWBHF-UHFFFAOYSA-N 1 2 385.508 2.989 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000306132869 209102887 /nfs/dbraw/zinc/10/28/87/209102887.db2.gz LUYHEHQKHBSJSK-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000306132869 209102892 /nfs/dbraw/zinc/10/28/92/209102892.db2.gz LUYHEHQKHBSJSK-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131476 209101850 /nfs/dbraw/zinc/10/18/50/209101850.db2.gz KFRZZVZGJFVCEY-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306131476 209101851 /nfs/dbraw/zinc/10/18/51/209101851.db2.gz KFRZZVZGJFVCEY-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1cc(C(=O)N2Cc3ccccc3[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)cn1 ZINC000306130789 209098661 /nfs/dbraw/zinc/09/86/61/209098661.db2.gz JPLGELQEYYEOAE-NRFANRHFSA-N 1 2 398.470 2.848 40 0 GFABLO Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223125362 208893692 /nfs/dbraw/zinc/89/36/92/208893692.db2.gz UPYIGIVFUPXPMH-DLBZAZTESA-N 1 2 388.562 2.756 40 0 GFABLO Cc1[nH+]cc(-c2ccc(C[C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)cn2)n1C ZINC000257204999 209055704 /nfs/dbraw/zinc/05/57/04/209055704.db2.gz AXFASSPCHXELCV-GOSISDBHSA-N 1 2 390.491 2.984 40 0 GFABLO O[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@H]3[N@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000072327874 136168187 /nfs/dbraw/zinc/16/81/87/136168187.db2.gz NPVXKNBCAHSKIM-AUSJPIAWSA-N 1 2 386.446 2.978 40 0 GFABLO O[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@H]3[N@@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000072327874 136168188 /nfs/dbraw/zinc/16/81/88/136168188.db2.gz NPVXKNBCAHSKIM-AUSJPIAWSA-N 1 2 386.446 2.978 40 0 GFABLO COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)o2)cc1 ZINC000257323857 209075895 /nfs/dbraw/zinc/07/58/95/209075895.db2.gz WMCRTKGHNNKZRZ-KRWDZBQOSA-N 1 2 380.448 2.877 40 0 GFABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288586 560034534 /nfs/dbraw/zinc/03/45/34/560034534.db2.gz FDTOMYUOJFPQKV-WBVHZDCISA-N 1 2 395.356 2.957 40 0 biogenic,in-vitro GFABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288586 560034535 /nfs/dbraw/zinc/03/45/35/560034535.db2.gz FDTOMYUOJFPQKV-WBVHZDCISA-N 1 2 395.356 2.957 40 0 biogenic,in-vitro GFABLO O=C1CO[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897312 560049985 /nfs/dbraw/zinc/04/99/85/560049985.db2.gz OMCSVPNOTSZQOU-MSOLQXFVSA-N 1 2 391.393 2.712 40 0 biogenic,in-vitro GFABLO O=C1CO[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000067897312 560049987 /nfs/dbraw/zinc/04/99/87/560049987.db2.gz OMCSVPNOTSZQOU-MSOLQXFVSA-N 1 2 391.393 2.712 40 0 biogenic,in-vitro GFABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000015676565 560094674 /nfs/dbraw/zinc/09/46/74/560094674.db2.gz AUWOTAHZXJXJSA-IBGZPJMESA-N 1 2 375.428 2.827 40 0 biogenic,in-vitro GFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1C(=O)c1ccco1 ZINC000015676472 560095694 /nfs/dbraw/zinc/09/56/94/560095694.db2.gz IAYFFPGXRYANDD-INIZCTEOSA-N 1 2 399.834 2.918 40 0 biogenic,in-vitro GFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1F ZINC000020801555 570281440 /nfs/dbraw/zinc/28/14/40/570281440.db2.gz ZTHHZNBQGXVEJT-MOPGFXCFSA-N 1 2 395.434 2.590 40 0 GFABLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cn2ccnc2)cc1 ZINC000038831772 570584638 /nfs/dbraw/zinc/58/46/38/570584638.db2.gz HESZCRZZJDTXKK-UHFFFAOYSA-N 1 2 390.487 2.694 40 0 GFABLO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000044841839 570634891 /nfs/dbraw/zinc/63/48/91/570634891.db2.gz JAIFMENWUAVNEG-UHFFFAOYSA-N 1 2 398.488 2.588 40 0 GFABLO COc1c(Br)cc(Br)cc1C(=O)N1CC[NH+](C)CC1 ZINC000059843529 570660178 /nfs/dbraw/zinc/66/01/78/570660178.db2.gz NJDVSYFPBJWQLL-UHFFFAOYSA-N 1 2 392.091 2.608 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464358 575366411 /nfs/dbraw/zinc/36/64/11/575366411.db2.gz FORZKFLWJCMMRG-HOTGVXAUSA-N 1 2 398.463 2.907 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464358 575366414 /nfs/dbraw/zinc/36/64/14/575366414.db2.gz FORZKFLWJCMMRG-HOTGVXAUSA-N 1 2 398.463 2.907 40 0 biogenic,in-vitro GFABLO O=C([C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000306142351 209109260 /nfs/dbraw/zinc/10/92/60/209109260.db2.gz WWRZPYZLZNAOSA-OAHLLOKOSA-N 1 2 393.516 2.987 40 0 GFABLO OCCNc1nc(Nc2cccc(Br)c2)cc(-c2ccccc2)[nH+]1 ZINC000328974272 206239632 /nfs/dbraw/zinc/23/96/32/206239632.db2.gz FEZHPWWRFHNABQ-UHFFFAOYSA-N 1 2 385.265 2.898 40 0 GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@H+](Cc3cccnc3)CCN21 ZINC000253409120 206282386 /nfs/dbraw/zinc/28/23/86/206282386.db2.gz ZMMNFAWLJXRRED-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2C[N@@H+](Cc3cccnc3)CCN21 ZINC000253409120 206282389 /nfs/dbraw/zinc/28/23/89/206282389.db2.gz ZMMNFAWLJXRRED-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3cccnc3)CC[N@@H+]21 ZINC000253409120 206282392 /nfs/dbraw/zinc/28/23/92/206282392.db2.gz ZMMNFAWLJXRRED-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(Cc3cccnc3)CC[N@H+]21 ZINC000253409120 206282396 /nfs/dbraw/zinc/28/23/96/206282396.db2.gz ZMMNFAWLJXRRED-NRFANRHFSA-N 1 2 393.535 2.572 40 0 biogenic,in-vitro GFABLO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1nc2ccccc2s1 ZINC000002093258 206398958 /nfs/dbraw/zinc/39/89/58/206398958.db2.gz GPGPCHBOJBRVRG-UONOGXRCSA-N 1 2 380.473 2.516 40 0 GFABLO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1nc2ccccc2s1 ZINC000002093258 206398962 /nfs/dbraw/zinc/39/89/62/206398962.db2.gz GPGPCHBOJBRVRG-UONOGXRCSA-N 1 2 380.473 2.516 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)CC1 ZINC000014429376 207021500 /nfs/dbraw/zinc/02/15/00/207021500.db2.gz OSACBKNTHPRXSQ-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CC1 ZINC000014427566 207021002 /nfs/dbraw/zinc/02/10/02/207021002.db2.gz FMMTWZHDGYUXTB-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)n1 ZINC000019572944 207138057 /nfs/dbraw/zinc/13/80/57/207138057.db2.gz DNBZVSRIYBPITH-FXAWDEMLSA-N 1 2 396.539 2.983 40 0 GFABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)n1 ZINC000019572944 207138061 /nfs/dbraw/zinc/13/80/61/207138061.db2.gz DNBZVSRIYBPITH-FXAWDEMLSA-N 1 2 396.539 2.983 40 0 GFABLO Cc1cc(C)n(CCCC(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)n1 ZINC000019573968 207138329 /nfs/dbraw/zinc/13/83/29/207138329.db2.gz BZWVJNQLMUHUIV-IBGZPJMESA-N 1 2 382.508 2.743 40 0 GFABLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc(OC)c1OC ZINC000019549777 207131131 /nfs/dbraw/zinc/13/11/31/207131131.db2.gz HNMSQDLLKWVALE-OAHLLOKOSA-N 1 2 397.435 2.890 40 0 GFABLO COc1cc(C[N@H+]2CCC[C@@H]2c2nnc(-c3cnccn3)o2)cc(OC)c1OC ZINC000019549777 207131136 /nfs/dbraw/zinc/13/11/36/207131136.db2.gz HNMSQDLLKWVALE-OAHLLOKOSA-N 1 2 397.435 2.890 40 0 GFABLO CCn1nc([C@@H](C)C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2ccccc2c1=O ZINC000019660566 207147190 /nfs/dbraw/zinc/14/71/90/207147190.db2.gz HSNMZXVWSZNNBG-GFCCVEGCSA-N 1 2 397.504 2.603 40 0 GFABLO CCn1nc([C@@H](C)C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2ccccc2c1=O ZINC000019660566 207147193 /nfs/dbraw/zinc/14/71/93/207147193.db2.gz HSNMZXVWSZNNBG-GFCCVEGCSA-N 1 2 397.504 2.603 40 0 GFABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019706188 207150289 /nfs/dbraw/zinc/15/02/89/207150289.db2.gz DPUOMOUSBJYABQ-LJQANCHMSA-N 1 2 392.507 2.544 40 0 GFABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019706188 207150293 /nfs/dbraw/zinc/15/02/93/207150293.db2.gz DPUOMOUSBJYABQ-LJQANCHMSA-N 1 2 392.507 2.544 40 0 GFABLO Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3C)n2CC1 ZINC000019706440 207150730 /nfs/dbraw/zinc/15/07/30/207150730.db2.gz UTWHTMNJPAFSNW-GOSISDBHSA-N 1 2 397.523 2.515 40 0 GFABLO Cc1cccc(C)c1OCC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3C)n2CC1 ZINC000019706440 207150735 /nfs/dbraw/zinc/15/07/35/207150735.db2.gz UTWHTMNJPAFSNW-GOSISDBHSA-N 1 2 397.523 2.515 40 0 GFABLO O=C(c1cn2c3c(cccc3c1=O)CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022235407 207249379 /nfs/dbraw/zinc/24/93/79/207249379.db2.gz DWJCEGFRQSLXQE-UHFFFAOYSA-N 1 2 387.483 2.906 40 0 GFABLO COc1ccc(CC(=O)N2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000072355316 208000324 /nfs/dbraw/zinc/00/03/24/208000324.db2.gz AZWSITYXZNMMSY-QGZVFWFLSA-N 1 2 377.448 2.620 40 0 GFABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000096145016 208274764 /nfs/dbraw/zinc/27/47/64/208274764.db2.gz DXUJZSXUCNDFEC-UHFFFAOYSA-N 1 2 382.508 2.596 40 0 GFABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000096145016 208274771 /nfs/dbraw/zinc/27/47/71/208274771.db2.gz DXUJZSXUCNDFEC-UHFFFAOYSA-N 1 2 382.508 2.596 40 0 GFABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)Cc1cccc(OC)c1)CC2 ZINC000096145016 208274779 /nfs/dbraw/zinc/27/47/79/208274779.db2.gz DXUJZSXUCNDFEC-UHFFFAOYSA-N 1 2 382.508 2.596 40 0 GFABLO Cc1noc(C)c1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(NC(C)C)c2C1 ZINC000096254258 208295535 /nfs/dbraw/zinc/29/55/35/208295535.db2.gz JJUDIGFDTSLBSY-UHFFFAOYSA-N 1 2 384.484 2.700 40 0 GFABLO Cc1cnc(N2CCc3cc(C(=O)N(C)C)c(NCC(C)C)[nH+]c3CC2)nc1 ZINC000096260510 208296380 /nfs/dbraw/zinc/29/63/80/208296380.db2.gz ZUGHIHGRAFFXIS-UHFFFAOYSA-N 1 2 382.512 2.555 40 0 GFABLO Cc1[nH+]c2c(n1C(C)C)CN(C(=O)C1CC1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306131361 209102792 /nfs/dbraw/zinc/10/27/92/209102792.db2.gz KCKQXLQPQVLKSM-UHFFFAOYSA-N 1 2 387.528 2.540 40 0 GFABLO CN1CC2(CC[NH+](Cc3nccs3)CC2)c2nn(CC3CCC3)cc2C1=O ZINC000306132835 209102514 /nfs/dbraw/zinc/10/25/14/209102514.db2.gz LTQRGLNJZZOYLL-UHFFFAOYSA-N 1 2 385.537 2.759 40 0 GFABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccccn1)CCO2 ZINC000306128325 209099341 /nfs/dbraw/zinc/09/93/41/209099341.db2.gz GXJLQFZZCQFHTE-XLIONFOSSA-N 1 2 386.521 2.790 40 0 GFABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccccn1)CCO2 ZINC000306128325 209099344 /nfs/dbraw/zinc/09/93/44/209099344.db2.gz GXJLQFZZCQFHTE-XLIONFOSSA-N 1 2 386.521 2.790 40 0 GFABLO CC(C)CC(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306124961 209097593 /nfs/dbraw/zinc/09/75/93/209097593.db2.gz CDHZVBLVNVHEIK-UHFFFAOYSA-N 1 2 385.487 2.893 40 0 GFABLO CC(C)CC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306124961 209097594 /nfs/dbraw/zinc/09/75/94/209097594.db2.gz CDHZVBLVNVHEIK-UHFFFAOYSA-N 1 2 385.487 2.893 40 0 GFABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1cccc(OC)c1)C2 ZINC000096111942 209009292 /nfs/dbraw/zinc/00/92/92/209009292.db2.gz BIPVHPCWXACWOM-ICSRJNTNSA-N 1 2 382.460 2.710 40 0 biogenic,in-vitro GFABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1cccc(OC)c1)C2 ZINC000096111942 209009296 /nfs/dbraw/zinc/00/92/96/209009296.db2.gz BIPVHPCWXACWOM-ICSRJNTNSA-N 1 2 382.460 2.710 40 0 biogenic,in-vitro GFABLO CC(C)c1nc2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257257238 209062534 /nfs/dbraw/zinc/06/25/34/209062534.db2.gz KORFGEYXNCTMPP-SFHLNBCPSA-N 1 2 395.507 2.969 40 0 GFABLO COc1cccc(C[N@@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257264774 209064165 /nfs/dbraw/zinc/06/41/65/209064165.db2.gz LVZKWLPPPHDWQC-SFHVURJKSA-N 1 2 378.436 2.592 40 0 GFABLO COc1cccc(C[N@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257264774 209064169 /nfs/dbraw/zinc/06/41/69/209064169.db2.gz LVZKWLPPPHDWQC-SFHVURJKSA-N 1 2 378.436 2.592 40 0 GFABLO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](C3CCOCC3)CCO2)n[nH]1 ZINC000257269000 209064861 /nfs/dbraw/zinc/06/48/61/209064861.db2.gz MODMSEXIDJUDDU-HXUWFJFHSA-N 1 2 375.444 2.723 40 0 GFABLO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](C3CCOCC3)CCO2)n[nH]1 ZINC000257269000 209064866 /nfs/dbraw/zinc/06/48/66/209064866.db2.gz MODMSEXIDJUDDU-HXUWFJFHSA-N 1 2 375.444 2.723 40 0 GFABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)n[nH]1 ZINC000257268999 209065055 /nfs/dbraw/zinc/06/50/55/209065055.db2.gz MODMSEXIDJUDDU-FQEVSTJZSA-N 1 2 375.444 2.723 40 0 GFABLO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](C3CCOCC3)CCO2)n[nH]1 ZINC000257268999 209065060 /nfs/dbraw/zinc/06/50/60/209065060.db2.gz MODMSEXIDJUDDU-FQEVSTJZSA-N 1 2 375.444 2.723 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1OC ZINC000072347332 136168998 /nfs/dbraw/zinc/16/89/98/136168998.db2.gz VUWCMFLTGMWNQJ-HNNXBMFYSA-N 1 2 398.507 2.994 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1OC ZINC000072347332 136168999 /nfs/dbraw/zinc/16/89/99/136168999.db2.gz VUWCMFLTGMWNQJ-HNNXBMFYSA-N 1 2 398.507 2.994 40 0 GFABLO COc1cccc(C(=O)N2CC[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)c1 ZINC000257329770 209075929 /nfs/dbraw/zinc/07/59/29/209075929.db2.gz XLLZPMOUCBGGAI-MRXNPFEDSA-N 1 2 375.432 2.759 40 0 GFABLO COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)c1 ZINC000072390900 222247272 /nfs/dbraw/zinc/24/72/72/222247272.db2.gz MJGFBIDKKDAPTQ-SFHVURJKSA-N 1 2 380.492 2.769 40 0 GFABLO COc1cccc(C[N@H+]2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)c1 ZINC000072390900 222247275 /nfs/dbraw/zinc/24/72/75/222247275.db2.gz MJGFBIDKKDAPTQ-SFHVURJKSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OC)c2)cc1 ZINC000408704406 534058837 /nfs/dbraw/zinc/05/88/37/534058837.db2.gz MYQGTVTWBUAEIJ-IBGZPJMESA-N 1 2 391.431 2.876 40 0 GFABLO CC[NH+]1CCN(C(=O)c2snnc2-c2ccc(Br)cc2)CC1 ZINC000225785902 553060225 /nfs/dbraw/zinc/06/02/25/553060225.db2.gz CNPARGMJLYIISI-UHFFFAOYSA-N 1 2 381.299 2.745 40 0 GFABLO COc1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000110663823 570324392 /nfs/dbraw/zinc/32/43/92/570324392.db2.gz GWAJOAOFARDAEM-UHFFFAOYSA-N 1 2 398.503 2.899 40 0 GFABLO Cn1cc[nH+]c1CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000604383254 570353857 /nfs/dbraw/zinc/35/38/57/570353857.db2.gz QFWLLFMMQVVXQV-QNWVGRARSA-N 1 2 396.535 2.793 40 0 biogenic,in-vitro GFABLO CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH+]3CCOCC3)cc21 ZINC000036740452 570568771 /nfs/dbraw/zinc/56/87/71/570568771.db2.gz FNCKRAVCUYPIBL-UHFFFAOYSA-N 1 2 384.455 2.983 40 0 GFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000012116302 570611012 /nfs/dbraw/zinc/61/10/12/570611012.db2.gz IHIGDDVOASBADF-UHFFFAOYSA-N 1 2 392.459 2.835 40 0 GFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ncncc3-c3ccncc3)C2)no1 ZINC000012118525 570612609 /nfs/dbraw/zinc/61/26/09/570612609.db2.gz UJVFFUJTRAGWES-MRXNPFEDSA-N 1 2 378.436 2.653 40 0 GFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ncncc3-c3ccncc3)C2)no1 ZINC000012118525 570612614 /nfs/dbraw/zinc/61/26/14/570612614.db2.gz UJVFFUJTRAGWES-MRXNPFEDSA-N 1 2 378.436 2.653 40 0 GFABLO CCOC(=O)C1CC[NH+](Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC1 ZINC000012275279 570631991 /nfs/dbraw/zinc/63/19/91/570631991.db2.gz AFUXOQAIJYHSGB-UHFFFAOYSA-N 1 2 393.447 2.969 40 0 GFABLO COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000257237850 570767552 /nfs/dbraw/zinc/76/75/52/570767552.db2.gz HIMKFEZGSUCFGC-QGZVFWFLSA-N 1 2 380.448 2.877 40 0 GFABLO CCN1CC[N@H+](CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183605 571000701 /nfs/dbraw/zinc/00/07/01/571000701.db2.gz MNGORGGDDFEZAV-IBGZPJMESA-N 1 2 397.494 2.562 40 0 GFABLO CCN1CC[N@@H+](CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183605 571000704 /nfs/dbraw/zinc/00/07/04/571000704.db2.gz MNGORGGDDFEZAV-IBGZPJMESA-N 1 2 397.494 2.562 40 0 GFABLO CCCN1CC[N@H+](CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183629 571000768 /nfs/dbraw/zinc/00/07/68/571000768.db2.gz UEIVBXRJRRBYBJ-JOCHJYFZSA-N 1 2 393.531 2.813 40 0 GFABLO CCCN1CC[N@@H+](CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183629 571000769 /nfs/dbraw/zinc/00/07/69/571000769.db2.gz UEIVBXRJRRBYBJ-JOCHJYFZSA-N 1 2 393.531 2.813 40 0 GFABLO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143295 209108325 /nfs/dbraw/zinc/10/83/25/209108325.db2.gz XYBZVRCLZGGZAP-IFMALSPDSA-N 1 2 399.491 2.618 40 0 GFABLO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143295 209108328 /nfs/dbraw/zinc/10/83/28/209108328.db2.gz XYBZVRCLZGGZAP-IFMALSPDSA-N 1 2 399.491 2.618 40 0 GFABLO C[C@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328971280 206239956 /nfs/dbraw/zinc/23/99/56/206239956.db2.gz DPQKMGMCBHFZFP-SECBINFHSA-N 1 2 381.249 2.636 40 0 GFABLO CCn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306141170 209105999 /nfs/dbraw/zinc/10/59/99/209105999.db2.gz VMZDFMXSEUMCGU-QUCCMNQESA-N 1 2 383.473 2.918 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccoc4)ccc2S3(=O)=O)cn1 ZINC000306141170 209106005 /nfs/dbraw/zinc/10/60/05/209106005.db2.gz VMZDFMXSEUMCGU-QUCCMNQESA-N 1 2 383.473 2.918 40 0 GFABLO CCn1ncc(-c2cc(C(F)F)nc(N[C@@H](C)C[NH+]3CCOCC3)n2)c1C ZINC000036614238 207047573 /nfs/dbraw/zinc/04/75/73/207047573.db2.gz ISQCIJNRZUIFTB-LBPRGKRZSA-N 1 2 380.443 2.739 40 0 GFABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000017452152 207089530 /nfs/dbraw/zinc/08/95/30/207089530.db2.gz JXRCFWDRZYSOSM-UHFFFAOYSA-N 1 2 399.516 2.777 40 0 GFABLO CNc1ncccc1C[N@@H+]1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019017422 207099097 /nfs/dbraw/zinc/09/90/97/207099097.db2.gz GSLGTLGYZKEULX-LJQANCHMSA-N 1 2 380.496 2.545 40 0 GFABLO CNc1ncccc1C[N@H+]1CCc2nc([C@H]3CCCCN3C(C)=O)ncc2C1 ZINC000019017422 207099099 /nfs/dbraw/zinc/09/90/99/207099099.db2.gz GSLGTLGYZKEULX-LJQANCHMSA-N 1 2 380.496 2.545 40 0 GFABLO CSc1nnc([C@H]2CCCN2C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000019289276 207112329 /nfs/dbraw/zinc/11/23/29/207112329.db2.gz CDJQNYZIDKVLAZ-HUUCEWRRSA-N 1 2 386.525 2.512 40 0 GFABLO Cc1cccc([C@@H]([C@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)c1 ZINC000019366165 207117552 /nfs/dbraw/zinc/11/75/52/207117552.db2.gz ITRIZILBESUUJP-XZOQPEGZSA-N 1 2 394.515 2.952 40 0 GFABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000019367211 207118597 /nfs/dbraw/zinc/11/85/97/207118597.db2.gz AKZILUGDNWFZAX-HXUWFJFHSA-N 1 2 380.496 2.829 40 0 GFABLO O=C(c1ccccc1F)N1CCCc2cc([C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000019347579 207118799 /nfs/dbraw/zinc/11/87/99/207118799.db2.gz VOBYHIPHXXOKJK-NRFANRHFSA-N 1 2 384.451 2.784 40 0 GFABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)CCCc1ccc(F)cc1)CC2 ZINC000019706470 207150164 /nfs/dbraw/zinc/15/01/64/207150164.db2.gz CLSIHEFRTWHKKC-IBGZPJMESA-N 1 2 399.514 2.982 40 0 GFABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)CCCc1ccc(F)cc1)CC2 ZINC000019706470 207150166 /nfs/dbraw/zinc/15/01/66/207150166.db2.gz CLSIHEFRTWHKKC-IBGZPJMESA-N 1 2 399.514 2.982 40 0 GFABLO c1coc(CN2C[NH+]=C3N[C@H](c4cccnc4)n4c5ccccc5nc4N3C2)c1 ZINC000020638692 207208580 /nfs/dbraw/zinc/20/85/80/207208580.db2.gz GYQHJGPCUUPWCW-IBGZPJMESA-N 1 2 385.431 2.768 40 0 GFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000072398760 208013503 /nfs/dbraw/zinc/01/35/03/208013503.db2.gz UYEQSLYSJIMRQG-GDBMZVCRSA-N 1 2 397.523 2.563 40 0 GFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000072398760 208013508 /nfs/dbraw/zinc/01/35/08/208013508.db2.gz UYEQSLYSJIMRQG-GDBMZVCRSA-N 1 2 397.523 2.563 40 0 GFABLO CN(c1ccc2ccc(C(=O)NCC[NH+]3CCOCC3)cn21)c1ccccc1 ZINC000096146177 208274314 /nfs/dbraw/zinc/27/43/14/208274314.db2.gz ZUEOQIXRJQUMCQ-UHFFFAOYSA-N 1 2 378.476 2.769 40 0 GFABLO O=S(=O)(c1cccs1)N1CCC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096222970 208288939 /nfs/dbraw/zinc/28/89/39/208288939.db2.gz DGIAZYMLHMQBBF-PBHICJAKSA-N 1 2 379.507 2.567 40 0 GFABLO O=C(c1ccc2ccccc2n1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259586 208295028 /nfs/dbraw/zinc/29/50/28/208295028.db2.gz GKMLVXQHRLMAMU-UHFFFAOYSA-N 1 2 390.491 2.858 40 0 GFABLO COC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000100421799 208376116 /nfs/dbraw/zinc/37/61/16/208376116.db2.gz UVNKWBCKIUPKEV-ORGXJRBJSA-N 1 2 396.418 2.516 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306133496 209101042 /nfs/dbraw/zinc/10/10/42/209101042.db2.gz MNHBXLLTYBFMPY-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306133496 209101047 /nfs/dbraw/zinc/10/10/47/209101047.db2.gz MNHBXLLTYBFMPY-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO Cc1ccc(C(=O)N2C[C@H](c3cn(C)c[nH+]3)[C@@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306127635 209097944 /nfs/dbraw/zinc/09/79/44/209097944.db2.gz GDYGPPLAUMBINW-IIBYNOLFSA-N 1 2 398.532 2.658 40 0 GFABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257255856 209062301 /nfs/dbraw/zinc/06/23/01/209062301.db2.gz KJDZCJPNGZNDKQ-NRFANRHFSA-N 1 2 375.432 2.641 40 0 GFABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cccc(Oc2ncccn2)c1 ZINC000257255856 209062304 /nfs/dbraw/zinc/06/23/04/209062304.db2.gz KJDZCJPNGZNDKQ-NRFANRHFSA-N 1 2 375.432 2.641 40 0 GFABLO Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257273668 209066305 /nfs/dbraw/zinc/06/63/05/209066305.db2.gz NHQLKTUWLCWHQN-SFHLNBCPSA-N 1 2 381.480 2.544 40 0 GFABLO O=C(C1CC1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474804 560042998 /nfs/dbraw/zinc/04/29/98/560042998.db2.gz HSCSAVLUBDYTSP-UHFFFAOYSA-N 1 2 397.544 2.921 40 0 biogenic,in-vitro GFABLO O=C(C1CC1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474804 560042999 /nfs/dbraw/zinc/04/29/99/560042999.db2.gz HSCSAVLUBDYTSP-UHFFFAOYSA-N 1 2 397.544 2.921 40 0 biogenic,in-vitro GFABLO OCC[N@@H+]1CCO[C@@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585262880 570231173 /nfs/dbraw/zinc/23/11/73/570231173.db2.gz NVHIERZAZZXTBJ-QGZVFWFLSA-N 1 2 392.381 2.781 40 0 GFABLO OCC[N@H+]1CCO[C@@H](c2cccc(-c3cnc4ccc(C(F)(F)F)cn43)n2)C1 ZINC000585262880 570231176 /nfs/dbraw/zinc/23/11/76/570231176.db2.gz NVHIERZAZZXTBJ-QGZVFWFLSA-N 1 2 392.381 2.781 40 0 GFABLO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 ZINC000107231585 570308597 /nfs/dbraw/zinc/30/85/97/570308597.db2.gz GZOAZYFVOXEUOU-OYHNWAKOSA-N 1 2 396.491 2.932 40 0 GFABLO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 ZINC000107231585 570308599 /nfs/dbraw/zinc/30/85/99/570308599.db2.gz GZOAZYFVOXEUOU-OYHNWAKOSA-N 1 2 396.491 2.932 40 0 GFABLO CC(C)c1cc(O)c(I)cc1Oc1c[nH+]c(N)nc1N ZINC000034809223 570333982 /nfs/dbraw/zinc/33/39/82/570333982.db2.gz QHEAZCABDDLXHC-UHFFFAOYSA-N 1 2 386.193 2.867 40 0 GFABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669948 570367471 /nfs/dbraw/zinc/36/74/71/570367471.db2.gz FSAJWXQZFCPHEF-MRXNPFEDSA-N 1 2 390.919 2.758 40 0 GFABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000035877099 570435263 /nfs/dbraw/zinc/43/52/63/570435263.db2.gz QGOXTTHFVIUWDE-HAGHYFMRSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000035877099 570435264 /nfs/dbraw/zinc/43/52/64/570435264.db2.gz QGOXTTHFVIUWDE-HAGHYFMRSA-N 1 2 392.430 2.969 40 0 GFABLO O=C(NCC[NH+]1CCCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000026114323 570448135 /nfs/dbraw/zinc/44/81/35/570448135.db2.gz ACRXWNSGPFBBKK-UHFFFAOYSA-N 1 2 393.534 2.765 40 0 GFABLO O=C(Cn1ccc(=O)c2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225721256 570608868 /nfs/dbraw/zinc/60/88/68/570608868.db2.gz CVVSTJRDPFSKGP-RMKNXTFCSA-N 1 2 387.483 2.859 40 0 GFABLO COc1ccc(CN(Cc2[nH]c[nH+]c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012116772 570611714 /nfs/dbraw/zinc/61/17/14/570611714.db2.gz KQLJLYPRSSWYAY-INIZCTEOSA-N 1 2 375.469 2.925 40 0 GFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 ZINC000012118526 570612666 /nfs/dbraw/zinc/61/26/66/570612666.db2.gz UJVFFUJTRAGWES-INIZCTEOSA-N 1 2 378.436 2.653 40 0 GFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3ncncc3-c3ccncc3)C2)no1 ZINC000012118526 570612669 /nfs/dbraw/zinc/61/26/69/570612669.db2.gz UJVFFUJTRAGWES-INIZCTEOSA-N 1 2 378.436 2.653 40 0 GFABLO CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000012145839 570616361 /nfs/dbraw/zinc/61/63/61/570616361.db2.gz QLKFUACXFAGEJH-QGZVFWFLSA-N 1 2 380.496 2.676 40 0 GFABLO COc1cccc(-n2c(=O)c3ccccc3nc2SCC[NH+]2CCOCC2)c1 ZINC000015220642 570904293 /nfs/dbraw/zinc/90/42/93/570904293.db2.gz CXSRBRPPPSQDAF-UHFFFAOYSA-N 1 2 397.500 2.819 40 0 GFABLO Cc1cccnc1-n1cccc1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019237892 207110981 /nfs/dbraw/zinc/11/09/81/207110981.db2.gz AQTCCHDZSHNYGB-UHFFFAOYSA-N 1 2 391.519 2.910 40 0 GFABLO COc1cc2[nH]c(C(=O)N3CC[NH+](Cc4ccccn4)CC3)cc2c(OC)c1 ZINC000019550496 207130134 /nfs/dbraw/zinc/13/01/34/207130134.db2.gz MATUJTPTLXVJFD-UHFFFAOYSA-N 1 2 380.448 2.538 40 0 GFABLO CC(C)[N@@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448071 207122253 /nfs/dbraw/zinc/12/22/53/207122253.db2.gz QDUOPFMKJLOZNW-INIZCTEOSA-N 1 2 397.523 2.708 40 0 GFABLO CC(C)[N@H+]1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCC5)C4)[nH]n3c(=O)c2C1 ZINC000019448071 207122258 /nfs/dbraw/zinc/12/22/58/207122258.db2.gz QDUOPFMKJLOZNW-INIZCTEOSA-N 1 2 397.523 2.708 40 0 GFABLO Cc1cc(C)n(CCCC(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)n1 ZINC000019573965 207137656 /nfs/dbraw/zinc/13/76/56/207137656.db2.gz BZWVJNQLMUHUIV-LJQANCHMSA-N 1 2 382.508 2.743 40 0 GFABLO CS(=O)(=O)N1CCCC[C@@H]1C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000019746616 207158092 /nfs/dbraw/zinc/15/80/92/207158092.db2.gz QSFQUFQPNHOTDB-GOSISDBHSA-N 1 2 376.526 2.589 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000072360781 208002648 /nfs/dbraw/zinc/00/26/48/208002648.db2.gz PWHQAXSOHBXGLD-QGZVFWFLSA-N 1 2 383.477 2.970 40 0 GFABLO O=S(=O)(N[C@H]1CCC12CC[NH+](Cc1nccs1)CC2)c1ccccc1 ZINC000096051623 208255218 /nfs/dbraw/zinc/25/52/18/208255218.db2.gz IXDDDDMRHWHBMA-INIZCTEOSA-N 1 2 377.535 2.866 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257305125 209073120 /nfs/dbraw/zinc/07/31/20/209073120.db2.gz SONOHNYLGJTJIC-AWEZNQCLSA-N 1 2 381.411 2.588 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)cc1OC ZINC000072347318 136168665 /nfs/dbraw/zinc/16/86/65/136168665.db2.gz SFTBYQJCUYLOOX-OAHLLOKOSA-N 1 2 398.507 2.724 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)cc1OC ZINC000072347318 136168666 /nfs/dbraw/zinc/16/86/66/136168666.db2.gz SFTBYQJCUYLOOX-OAHLLOKOSA-N 1 2 398.507 2.724 40 0 GFABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccccc1N1CCCCC1 ZINC000072346335 136168834 /nfs/dbraw/zinc/16/88/34/136168834.db2.gz SXFSUVIIDWQVIF-UHFFFAOYSA-N 1 2 394.519 2.994 40 0 GFABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000257316836 209074673 /nfs/dbraw/zinc/07/46/73/209074673.db2.gz VHFOCESLRPTLEC-ZJDLJICXSA-N 1 2 387.499 2.648 40 0 GFABLO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1ccccc1F ZINC000257316836 209074677 /nfs/dbraw/zinc/07/46/77/209074677.db2.gz VHFOCESLRPTLEC-ZJDLJICXSA-N 1 2 387.499 2.648 40 0 GFABLO Nc1ccc(-c2cccc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)n2)c[nH+]1 ZINC000257330940 209076671 /nfs/dbraw/zinc/07/66/71/209076671.db2.gz XQSDWVAWUVBJCG-FQEVSTJZSA-N 1 2 390.443 2.705 40 0 GFABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cc2ccccc2o1 ZINC000015676306 560094654 /nfs/dbraw/zinc/09/46/54/560094654.db2.gz NZYCSIZRPYYPDH-IBGZPJMESA-N 1 2 376.416 2.992 40 0 biogenic,in-vitro GFABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1cc2ccccc2o1 ZINC000015676306 560094655 /nfs/dbraw/zinc/09/46/55/560094655.db2.gz NZYCSIZRPYYPDH-IBGZPJMESA-N 1 2 376.416 2.992 40 0 biogenic,in-vitro GFABLO COc1ccc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000027233044 570494434 /nfs/dbraw/zinc/49/44/34/570494434.db2.gz SWQHCHNNCXZSFB-QGZVFWFLSA-O 1 2 383.453 2.848 40 0 GFABLO COc1ccc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(OC)c1 ZINC000027233019 570494516 /nfs/dbraw/zinc/49/45/16/570494516.db2.gz YTTFWQITQHHNPH-QGZVFWFLSA-O 1 2 383.453 2.848 40 0 GFABLO COc1ccccc1/C=C/C[N@@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000012330122 570644688 /nfs/dbraw/zinc/64/46/88/570644688.db2.gz XOHKZGCUJKVUKP-GQCTYLIASA-N 1 2 375.432 2.719 40 0 GFABLO COc1ccccc1/C=C/C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1 ZINC000012330122 570644690 /nfs/dbraw/zinc/64/46/90/570644690.db2.gz XOHKZGCUJKVUKP-GQCTYLIASA-N 1 2 375.432 2.719 40 0 GFABLO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000062107156 570744165 /nfs/dbraw/zinc/74/41/65/570744165.db2.gz OFAPGUUJXJGPBB-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)ncn1 ZINC000257226826 570764018 /nfs/dbraw/zinc/76/40/18/570764018.db2.gz FMIXUQJHTCVJFT-QGZVFWFLSA-N 1 2 394.479 2.816 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)cc[nH+]1 ZINC000257243650 570768900 /nfs/dbraw/zinc/76/89/00/570768900.db2.gz IHYBEMFFKQODMO-HNNXBMFYSA-N 1 2 395.438 2.978 40 0 GFABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccnc1 ZINC000261365009 570788422 /nfs/dbraw/zinc/78/84/22/570788422.db2.gz PIXTXTKWTAYCRA-IBGZPJMESA-O 1 2 394.480 2.947 40 0 GFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1F ZINC000261364684 570788627 /nfs/dbraw/zinc/78/86/27/570788627.db2.gz MWUFTRJWOSWFLP-SFHVURJKSA-O 1 2 383.428 2.911 40 0 GFABLO Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=[NH+][C@@H]2c1ccc(Cl)cc1 ZINC000014607538 570893046 /nfs/dbraw/zinc/89/30/46/570893046.db2.gz QHUBTILWVXELMD-KRWDZBQOSA-N 1 2 380.839 2.718 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 ZINC000017077510 570916891 /nfs/dbraw/zinc/91/68/91/570916891.db2.gz JIJROGLNYQYHBP-XJKSGUPXSA-N 1 2 378.856 2.555 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 ZINC000017077510 570916893 /nfs/dbraw/zinc/91/68/93/570916893.db2.gz JIJROGLNYQYHBP-XJKSGUPXSA-N 1 2 378.856 2.555 40 0 GFABLO COc1cc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc(OC)c1 ZINC000019240299 210236032 /nfs/dbraw/zinc/23/60/32/210236032.db2.gz CEAJWTXFXSCXBR-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COc1cc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc(OC)c1 ZINC000019240299 210236037 /nfs/dbraw/zinc/23/60/37/210236037.db2.gz CEAJWTXFXSCXBR-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000019237025 210233583 /nfs/dbraw/zinc/23/35/83/210233583.db2.gz UVNKWBCKIUPKEV-MSQSPTIYSA-N 1 2 396.418 2.516 40 0 GFABLO Clc1ccccc1OCCc1cc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)[nH]n1 ZINC000257340468 212027788 /nfs/dbraw/zinc/02/77/88/212027788.db2.gz ZGGNUJINTZEQRC-SFHVURJKSA-N 1 2 387.871 2.981 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)n1C ZINC000257233986 212007736 /nfs/dbraw/zinc/00/77/36/212007736.db2.gz GROVXTGFEBWPFN-INIZCTEOSA-N 1 2 376.464 2.675 40 0 GFABLO C[C@@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000328971281 209154865 /nfs/dbraw/zinc/15/48/65/209154865.db2.gz DPQKMGMCBHFZFP-VIFPVBQESA-N 1 2 381.249 2.636 40 0 GFABLO Cc1cc(C)c2c(=O)ccn(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000225756819 211923655 /nfs/dbraw/zinc/92/36/55/211923655.db2.gz FYQYYGXXHIKCIU-UHFFFAOYSA-N 1 2 389.499 2.963 40 0 GFABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)c2ccn[nH]2)CCC3(F)F)cs1 ZINC000096239793 211323605 /nfs/dbraw/zinc/32/36/05/211323605.db2.gz CFJIGXPXVUNIGW-INIZCTEOSA-N 1 2 381.452 2.548 40 0 GFABLO Cc1nc(C[N@H+]2CC[C@]3(C2)CN(C(=O)c2ccn[nH]2)CCC3(F)F)cs1 ZINC000096239793 211323609 /nfs/dbraw/zinc/32/36/09/211323609.db2.gz CFJIGXPXVUNIGW-INIZCTEOSA-N 1 2 381.452 2.548 40 0 GFABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4ccsc4)C3)OCC2=O)s1 ZINC000096051457 211297190 /nfs/dbraw/zinc/29/71/90/211297190.db2.gz ALGUVPDMJPTKAV-SFHVURJKSA-N 1 2 378.519 2.752 40 0 GFABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4ccsc4)C3)OCC2=O)s1 ZINC000096051457 211297197 /nfs/dbraw/zinc/29/71/97/211297197.db2.gz ALGUVPDMJPTKAV-SFHVURJKSA-N 1 2 378.519 2.752 40 0 GFABLO CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000072372196 211103128 /nfs/dbraw/zinc/10/31/28/211103128.db2.gz GNLWBBWQFONGAY-IBGZPJMESA-N 1 2 397.498 2.942 40 0 GFABLO CNc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000072372196 211103135 /nfs/dbraw/zinc/10/31/35/211103135.db2.gz GNLWBBWQFONGAY-IBGZPJMESA-N 1 2 397.498 2.942 40 0 GFABLO Cc1nonc1NC(=O)C[NH+]1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072362428 211101343 /nfs/dbraw/zinc/10/13/43/211101343.db2.gz WQNOBXOYYZGJSI-UHFFFAOYSA-N 1 2 394.435 2.778 40 0 GFABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000072352215 211096673 /nfs/dbraw/zinc/09/66/73/211096673.db2.gz VYYNILDIKWPLBK-AWEZNQCLSA-N 1 2 384.505 2.990 40 0 GFABLO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072352215 211096675 /nfs/dbraw/zinc/09/66/75/211096675.db2.gz VYYNILDIKWPLBK-AWEZNQCLSA-N 1 2 384.505 2.990 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 ZINC000020634595 210354230 /nfs/dbraw/zinc/35/42/30/210354230.db2.gz YQYRLGZGFMXYQL-MRXNPFEDSA-N 1 2 378.856 2.555 40 0 GFABLO CCn1cc(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)c3ccccc3n2)cn1 ZINC000019716534 210287531 /nfs/dbraw/zinc/28/75/31/210287531.db2.gz MAXGMBODFQTZJU-INIZCTEOSA-N 1 2 393.491 2.569 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)c(OC)c1 ZINC000072347209 136168713 /nfs/dbraw/zinc/16/87/13/136168713.db2.gz ABBIILKLFGKTLS-UHFFFAOYSA-N 1 2 384.480 2.748 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)c(OC)c1 ZINC000072347209 136168714 /nfs/dbraw/zinc/16/87/14/136168714.db2.gz ABBIILKLFGKTLS-UHFFFAOYSA-N 1 2 384.480 2.748 40 0 GFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(=O)c1ccccc1 ZINC000012530244 560212945 /nfs/dbraw/zinc/21/29/45/560212945.db2.gz ACYDTUMKCWPYRT-IBGZPJMESA-N 1 2 375.428 2.672 40 0 biogenic,in-vitro GFABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)n1 ZINC000585291074 570259834 /nfs/dbraw/zinc/25/98/34/570259834.db2.gz JHHKWKZJEIEQLD-NFAHFFEMSA-N 1 2 375.436 2.676 40 0 GFABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1C ZINC000057670347 570367930 /nfs/dbraw/zinc/36/79/30/570367930.db2.gz IQDBEQLWPSJOIY-TZIWHRDSSA-N 1 2 398.555 2.988 40 0 GFABLO COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030940079 570501374 /nfs/dbraw/zinc/50/13/74/570501374.db2.gz YOGLBSPXGAZYGV-UHFFFAOYSA-N 1 2 378.432 2.560 40 0 GFABLO NC(=O)C1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000012221816 570627924 /nfs/dbraw/zinc/62/79/24/570627924.db2.gz LPJVJEANYTWEQN-UHFFFAOYSA-N 1 2 382.855 2.889 40 0 GFABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1O ZINC000261363682 570788406 /nfs/dbraw/zinc/78/84/06/570788406.db2.gz VUCCPLZRHMABLE-KRWDZBQOSA-O 1 2 383.453 2.935 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 ZINC000017077509 570916919 /nfs/dbraw/zinc/91/69/19/570916919.db2.gz JIJROGLNYQYHBP-CZUORRHYSA-N 1 2 378.856 2.555 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)C1 ZINC000017077509 570916922 /nfs/dbraw/zinc/91/69/22/570916922.db2.gz JIJROGLNYQYHBP-CZUORRHYSA-N 1 2 378.856 2.555 40 0 GFABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)Cc1ccccn1)CC2 ZINC000585111090 570944683 /nfs/dbraw/zinc/94/46/83/570944683.db2.gz CYOMKCFAFALROI-UHFFFAOYSA-N 1 2 376.460 2.719 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(C)c1C ZINC000019577396 210268243 /nfs/dbraw/zinc/26/82/43/210268243.db2.gz VSWORJXMEDCYJK-UHFFFAOYSA-N 1 2 377.448 2.823 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(C)c1C ZINC000019577396 210268246 /nfs/dbraw/zinc/26/82/46/210268246.db2.gz VSWORJXMEDCYJK-UHFFFAOYSA-N 1 2 377.448 2.823 40 0 GFABLO CC(C)Oc1cc(CCC(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)on1 ZINC000019450509 210248265 /nfs/dbraw/zinc/24/82/65/210248265.db2.gz FDUNIHHPQPUAOT-KRWDZBQOSA-N 1 2 399.491 2.857 40 0 GFABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000019289021 210238550 /nfs/dbraw/zinc/23/85/50/210238550.db2.gz SABWSKQYQBTQGV-UHFFFAOYSA-N 1 2 393.466 2.508 40 0 GFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)N3CCCC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306122957 212043158 /nfs/dbraw/zinc/04/31/58/212043158.db2.gz AAMLPBLTZGLBNU-XMSQKQJNSA-N 1 2 399.539 2.708 40 0 GFABLO Cn1cc(C[NH+]2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)cn1 ZINC000306125980 212045351 /nfs/dbraw/zinc/04/53/51/212045351.db2.gz DICXYHURPIPNNT-UHFFFAOYSA-N 1 2 379.493 2.514 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)n1C ZINC000257257944 212012159 /nfs/dbraw/zinc/01/21/59/212012159.db2.gz KRSSASAYYBOETB-GOSISDBHSA-N 1 2 390.491 2.604 40 0 GFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4ccccn4)C3)n2)n1C ZINC000257233987 212007359 /nfs/dbraw/zinc/00/73/59/212007359.db2.gz GROVXTGFEBWPFN-MRXNPFEDSA-N 1 2 376.464 2.675 40 0 GFABLO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3cc(C)cc(C)c3[nH]2)[C@H]1O ZINC000257218017 212005713 /nfs/dbraw/zinc/00/57/13/212005713.db2.gz DBNSIINUWBSYAS-RADWXHQJSA-N 1 2 395.507 2.888 40 0 GFABLO COc1cccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)c1OC ZINC000100752970 211390305 /nfs/dbraw/zinc/39/03/05/211390305.db2.gz FNQWZZZAVRKEEK-UHFFFAOYSA-N 1 2 380.448 2.888 40 0 GFABLO COc1cccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)c1OC ZINC000100752970 211390309 /nfs/dbraw/zinc/39/03/09/211390309.db2.gz FNQWZZZAVRKEEK-UHFFFAOYSA-N 1 2 380.448 2.888 40 0 GFABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)n[nH]2)cc1 ZINC000072380595 211107201 /nfs/dbraw/zinc/10/72/01/211107201.db2.gz WRXORVSDRDQZJC-FQEVSTJZSA-N 1 2 384.480 2.618 40 0 GFABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)n[nH]2)cc1 ZINC000072380595 211107204 /nfs/dbraw/zinc/10/72/04/211107204.db2.gz WRXORVSDRDQZJC-FQEVSTJZSA-N 1 2 384.480 2.618 40 0 GFABLO c1ccc(CN2C[NH+]=C3N[C@H](c4cccnc4)n4c5ccccc5nc4N3C2)nc1 ZINC000020638681 210355652 /nfs/dbraw/zinc/35/56/52/210355652.db2.gz AMEQAHBPOVHWRM-FQEVSTJZSA-N 1 2 396.458 2.570 40 0 GFABLO CCOC(=O)C[N@@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121280 221154395 /nfs/dbraw/zinc/15/43/95/221154395.db2.gz DVQVXXUVWCPKSP-HNNXBMFYSA-N 1 2 383.452 2.744 40 0 GFABLO CCOC(=O)C[N@H+]1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121280 221154396 /nfs/dbraw/zinc/15/43/96/221154396.db2.gz DVQVXXUVWCPKSP-HNNXBMFYSA-N 1 2 383.452 2.744 40 0 GFABLO C[N@@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000012529906 560212959 /nfs/dbraw/zinc/21/29/59/560212959.db2.gz SBINZOUALAWTOK-OALUTQOASA-N 1 2 391.475 2.905 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000012529906 560212961 /nfs/dbraw/zinc/21/29/61/560212961.db2.gz SBINZOUALAWTOK-OALUTQOASA-N 1 2 391.475 2.905 40 0 biogenic,in-vitro GFABLO O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC[NH2+]Cc1ccccc1 ZINC000022592409 570322555 /nfs/dbraw/zinc/32/25/55/570322555.db2.gz YAELKNUBNSQHAA-QGZVFWFLSA-N 1 2 375.856 2.501 40 0 GFABLO CCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670012 570367555 /nfs/dbraw/zinc/36/75/55/570367555.db2.gz PDDYNICXSSVTRZ-KRWDZBQOSA-N 1 2 392.935 2.945 40 0 GFABLO O=C(NCC[NH+]1CCOCC1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000225269310 570560504 /nfs/dbraw/zinc/56/05/04/570560504.db2.gz IMWNXWKXISMKMA-UHFFFAOYSA-N 1 2 384.867 2.945 40 0 GFABLO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ncc2c(n1)CCCC2=O ZINC000009287339 570774955 /nfs/dbraw/zinc/77/49/55/570774955.db2.gz RCQADRDOCNFCSB-UHFFFAOYSA-N 1 2 378.476 2.889 40 0 GFABLO CCN1CC[N@H+](CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183606 571000613 /nfs/dbraw/zinc/00/06/13/571000613.db2.gz MNGORGGDDFEZAV-LJQANCHMSA-N 1 2 397.494 2.562 40 0 GFABLO CCN1CC[N@@H+](CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183606 571000615 /nfs/dbraw/zinc/00/06/15/571000615.db2.gz MNGORGGDDFEZAV-LJQANCHMSA-N 1 2 397.494 2.562 40 0 GFABLO COc1cc(C)c(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1OC ZINC000019567118 210266628 /nfs/dbraw/zinc/26/66/28/210266628.db2.gz APQIEEYMFQKWHM-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO COc1cc(C)c(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1OC ZINC000019567118 210266632 /nfs/dbraw/zinc/26/66/32/210266632.db2.gz APQIEEYMFQKWHM-UHFFFAOYSA-N 1 2 385.489 2.842 40 0 GFABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000019367214 210244700 /nfs/dbraw/zinc/24/47/00/210244700.db2.gz AKZILUGDNWFZAX-FQEVSTJZSA-N 1 2 380.496 2.829 40 0 GFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1ccc(F)cc1 ZINC000019291217 210237648 /nfs/dbraw/zinc/23/76/48/210237648.db2.gz BRLJZNKXYAYNQY-IBGZPJMESA-N 1 2 390.422 2.718 40 0 GFABLO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019018299 210221213 /nfs/dbraw/zinc/22/12/13/210221213.db2.gz QVONIGGHHFOAHQ-LJQANCHMSA-N 1 2 380.496 2.545 40 0 GFABLO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(C)=O)C2 ZINC000019018299 210221218 /nfs/dbraw/zinc/22/12/18/210221218.db2.gz QVONIGGHHFOAHQ-LJQANCHMSA-N 1 2 380.496 2.545 40 0 GFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136130 212050963 /nfs/dbraw/zinc/05/09/63/212050963.db2.gz PKEFCOQSQMZDRD-VGOFRKELSA-N 1 2 396.491 2.925 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000306123937 212044268 /nfs/dbraw/zinc/04/42/68/212044268.db2.gz BAYCPEKGZUAETR-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306124592 212044048 /nfs/dbraw/zinc/04/40/48/212044048.db2.gz BTZKUSIZPJZWOB-HKUYNNGSSA-N 1 2 385.514 2.904 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000306123937 212044264 /nfs/dbraw/zinc/04/42/64/212044264.db2.gz BAYCPEKGZUAETR-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccsc4)C[C@@H]2S3(=O)=O)cn1 ZINC000306124592 212044042 /nfs/dbraw/zinc/04/40/42/212044042.db2.gz BTZKUSIZPJZWOB-HKUYNNGSSA-N 1 2 385.514 2.904 40 0 GFABLO C[C@]12C[C@H](c3ccccc3)C[C@](C)(O1)[C@@H](O)[C@H](CNC(=O)Cn1cc[nH+]c1)CC2 ZINC000257302043 212019944 /nfs/dbraw/zinc/01/99/44/212019944.db2.gz SBEFXFGDCJDHIV-KHKYPALMSA-N 1 2 397.519 2.882 40 0 GFABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257264773 212012919 /nfs/dbraw/zinc/01/29/19/212012919.db2.gz LVZKWLPPPHDWQC-GOSISDBHSA-N 1 2 378.436 2.592 40 0 GFABLO COc1cccc(C[N@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257264773 212012922 /nfs/dbraw/zinc/01/29/22/212012922.db2.gz LVZKWLPPPHDWQC-GOSISDBHSA-N 1 2 378.436 2.592 40 0 GFABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc(OC)c1 ZINC000328982394 209153349 /nfs/dbraw/zinc/15/33/49/209153349.db2.gz GZTATOMRSRWZHA-AWEZNQCLSA-N 1 2 380.448 2.541 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096090604 211300353 /nfs/dbraw/zinc/30/03/53/211300353.db2.gz AKWXQHJNYDUQSE-PKOBYXMFSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096090604 211300357 /nfs/dbraw/zinc/30/03/57/211300357.db2.gz AKWXQHJNYDUQSE-PKOBYXMFSA-N 1 2 376.909 2.986 40 0 GFABLO O=C(N1CCC(c2nnc3n2CC[NH2+]C3)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000072372093 211103758 /nfs/dbraw/zinc/10/37/58/211103758.db2.gz OGUMGWKLUUQKKN-UHFFFAOYSA-N 1 2 397.498 2.738 40 0 GFABLO CCn1nc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000072391788 211110924 /nfs/dbraw/zinc/11/09/24/211110924.db2.gz KZAAIOZZSINQLQ-UHFFFAOYSA-N 1 2 389.931 2.930 40 0 GFABLO c1ccc(-c2cc(C[NH+]3CCN(Cc4ccccn4)CC3)c3nnnn3c2)cc1 ZINC000072392379 211110040 /nfs/dbraw/zinc/11/00/40/211110040.db2.gz JNQLTHIBINGLNH-UHFFFAOYSA-N 1 2 385.475 2.504 40 0 GFABLO c1ccc(-c2cc(CN3CC[NH+](Cc4ccccn4)CC3)c3nnnn3c2)cc1 ZINC000072392379 211110044 /nfs/dbraw/zinc/11/00/44/211110044.db2.gz JNQLTHIBINGLNH-UHFFFAOYSA-N 1 2 385.475 2.504 40 0 GFABLO COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(nc2N)CC[N@H+](C)C3)c1 ZINC000019700646 210283451 /nfs/dbraw/zinc/28/34/51/210283451.db2.gz NGOZTJCRHNJYPX-LJQANCHMSA-N 1 2 396.491 2.646 40 0 GFABLO COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(nc2N)CC[N@@H+](C)C3)c1 ZINC000019700646 210283455 /nfs/dbraw/zinc/28/34/55/210283455.db2.gz NGOZTJCRHNJYPX-LJQANCHMSA-N 1 2 396.491 2.646 40 0 GFABLO O=C(C[N@@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)Nc1nccs1 ZINC000012118516 221153571 /nfs/dbraw/zinc/15/35/71/221153571.db2.gz HPHIUKIHUUAEOO-HNNXBMFYSA-N 1 2 380.477 2.813 40 0 GFABLO O=C(C[N@H+]1CCC[C@H](c2ncncc2-c2ccncc2)C1)Nc1nccs1 ZINC000012118516 221153574 /nfs/dbraw/zinc/15/35/74/221153574.db2.gz HPHIUKIHUUAEOO-HNNXBMFYSA-N 1 2 380.477 2.813 40 0 GFABLO C[C@@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000328968068 563469028 /nfs/dbraw/zinc/46/90/28/563469028.db2.gz CXHHGWRLWWFVLA-VIFPVBQESA-N 1 2 381.249 2.636 40 0 GFABLO Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)n1 ZINC000585291911 570261162 /nfs/dbraw/zinc/26/11/62/570261162.db2.gz VPNRVGRVSQDKCF-IBUXWKBASA-N 1 2 381.465 2.738 40 0 GFABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1 ZINC000057670367 570367828 /nfs/dbraw/zinc/36/78/28/570367828.db2.gz XTDGOZLJCMHBSN-FPOVZHCZSA-N 1 2 398.555 2.988 40 0 GFABLO CCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000001370924 570581089 /nfs/dbraw/zinc/58/10/89/570581089.db2.gz MTERPNRHCLUOQG-UHFFFAOYSA-N 1 2 388.468 2.706 40 0 GFABLO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225635239 570596585 /nfs/dbraw/zinc/59/65/85/570596585.db2.gz OSBUCMGWVPKRSY-UTKZUKDTSA-N 1 2 376.497 2.931 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118377 570612596 /nfs/dbraw/zinc/61/25/96/570612596.db2.gz DHHPGOOQKQVZMT-CYBMUJFWSA-N 1 2 384.465 2.715 40 0 GFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118377 570612598 /nfs/dbraw/zinc/61/25/98/570612598.db2.gz DHHPGOOQKQVZMT-CYBMUJFWSA-N 1 2 384.465 2.715 40 0 GFABLO COc1cccc([C@@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)c1OC ZINC000257285782 570903180 /nfs/dbraw/zinc/90/31/80/570903180.db2.gz PIWOIMWMPOQPPG-IIDMSEBBSA-N 1 2 387.480 2.848 40 0 GFABLO CC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019500599 570926750 /nfs/dbraw/zinc/92/67/50/570926750.db2.gz CSDPWUUMPHUCOK-GOSISDBHSA-N 1 2 398.511 2.786 40 0 GFABLO O=C(c1ccc(F)cc1)N1CCCc2cc([C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000019332056 210242308 /nfs/dbraw/zinc/24/23/08/210242308.db2.gz ISLOZJLDGBVWKL-OAQYLSRUSA-N 1 2 384.451 2.784 40 0 GFABLO COc1ccccc1N1C[C@H](NC(=O)[C@@H](C)n2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286675 210238644 /nfs/dbraw/zinc/23/86/44/210238644.db2.gz LFIBFAABBNVWTF-GDBMZVCRSA-N 1 2 392.459 2.836 40 0 GFABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000019289019 210238539 /nfs/dbraw/zinc/23/85/39/210238539.db2.gz FPWOIJDSOKLHII-UHFFFAOYSA-N 1 2 393.466 2.508 40 0 GFABLO CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019085230 210226305 /nfs/dbraw/zinc/22/63/05/210226305.db2.gz ATVDUKGAIHFTHS-UHFFFAOYSA-N 1 2 385.512 2.563 40 0 GFABLO CC(C)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)CC1 ZINC000019085230 210226311 /nfs/dbraw/zinc/22/63/11/210226311.db2.gz ATVDUKGAIHFTHS-UHFFFAOYSA-N 1 2 385.512 2.563 40 0 GFABLO CN1CCN(C(=O)c2ccco2)C[C@H]1c1cn2c(cccc2N2CCCC2)[nH+]1 ZINC000306134263 212050343 /nfs/dbraw/zinc/05/03/43/212050343.db2.gz NHGVUAVUKLITCH-KRWDZBQOSA-N 1 2 379.464 2.656 40 0 GFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)CC(C)C)CC2)C[N@@H+](C)C3)cc1 ZINC000306133041 212048776 /nfs/dbraw/zinc/04/87/76/212048776.db2.gz LZVYJJMQPDHLOP-UHFFFAOYSA-N 1 2 397.523 2.763 40 0 GFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)CC(C)C)CC2)C[N@H+](C)C3)cc1 ZINC000306133041 212048780 /nfs/dbraw/zinc/04/87/80/212048780.db2.gz LZVYJJMQPDHLOP-UHFFFAOYSA-N 1 2 397.523 2.763 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306129138 212047872 /nfs/dbraw/zinc/04/78/72/212047872.db2.gz HVNLOMVIKGVFGF-TZIWHRDSSA-N 1 2 394.500 2.720 40 0 GFABLO CCn1cc(C[N@H+]2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306129138 212047876 /nfs/dbraw/zinc/04/78/76/212047876.db2.gz HVNLOMVIKGVFGF-TZIWHRDSSA-N 1 2 394.500 2.720 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306124928 212045686 /nfs/dbraw/zinc/04/56/86/212045686.db2.gz CCNFSACTTOBDFD-HKUYNNGSSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306124928 212045690 /nfs/dbraw/zinc/04/56/90/212045690.db2.gz CCNFSACTTOBDFD-HKUYNNGSSA-N 1 2 385.514 2.904 40 0 GFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 ZINC000257337842 212027447 /nfs/dbraw/zinc/02/74/47/212027447.db2.gz YUQQWNBVJHGNRA-RHSMWYFYSA-N 1 2 381.885 2.768 40 0 GFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@]12CCCO2 ZINC000257337842 212027448 /nfs/dbraw/zinc/02/74/48/212027448.db2.gz YUQQWNBVJHGNRA-RHSMWYFYSA-N 1 2 381.885 2.768 40 0 GFABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257228103 212006818 /nfs/dbraw/zinc/00/68/18/212006818.db2.gz FSHLGXJIYQUCCT-IBGZPJMESA-N 1 2 375.432 2.643 40 0 GFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1ccccc1)CCC2 ZINC000096251247 211324318 /nfs/dbraw/zinc/32/43/18/211324318.db2.gz COPDKEOVEXXJNF-CVDCTZTESA-N 1 2 392.503 2.529 40 0 GFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000020483335 210339934 /nfs/dbraw/zinc/33/99/34/210339934.db2.gz CFPZYEABQJYUQX-UHFFFAOYSA-N 1 2 376.460 2.635 40 0 GFABLO CC1CCN(S(=O)(=O)N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)CC1 ZINC000019719816 210289477 /nfs/dbraw/zinc/28/94/77/210289477.db2.gz KOCSXEHMGKNMBB-MRXNPFEDSA-N 1 2 376.526 2.794 40 0 GFABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000019706163 210284109 /nfs/dbraw/zinc/28/41/09/210284109.db2.gz ZVRBWOYWBOPIAT-SFHVURJKSA-N 1 2 390.491 2.682 40 0 GFABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)c1cccc3cccnc31)CC2 ZINC000019706163 210284120 /nfs/dbraw/zinc/28/41/20/210284120.db2.gz ZVRBWOYWBOPIAT-SFHVURJKSA-N 1 2 390.491 2.682 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000014607414 221313203 /nfs/dbraw/zinc/31/32/03/221313203.db2.gz SGYNYWXMKKYZDQ-BXUZGUMPSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000014607414 221313206 /nfs/dbraw/zinc/31/32/06/221313206.db2.gz SGYNYWXMKKYZDQ-BXUZGUMPSA-N 1 2 399.274 2.900 40 0 GFABLO CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219248681 570350250 /nfs/dbraw/zinc/35/02/50/570350250.db2.gz VEVKAPCLAHSTPS-UHFFFAOYSA-N 1 2 392.459 2.841 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885753 570415764 /nfs/dbraw/zinc/41/57/64/570415764.db2.gz JWHVOBLPPCZCFU-GKAYAJSDSA-N 1 2 392.455 2.685 40 0 GFABLO COc1ccc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(OC)c1 ZINC000027233027 570494412 /nfs/dbraw/zinc/49/44/12/570494412.db2.gz YTTFWQITQHHNPH-KRWDZBQOSA-O 1 2 383.453 2.848 40 0 GFABLO O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030864523 570499578 /nfs/dbraw/zinc/49/95/78/570499578.db2.gz XXXIOFORISANLE-UHFFFAOYSA-N 1 2 379.460 2.898 40 0 GFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccccn1 ZINC000261365664 570789234 /nfs/dbraw/zinc/78/92/34/570789234.db2.gz ULMVMMVEVUGBKW-LJQANCHMSA-O 1 2 394.480 2.947 40 0 GFABLO CCn1cc(CN2CCN(C(=O)CCn3c[nH+]c4cc(C)c(C)cc43)CC2)cn1 ZINC000019524961 210257264 /nfs/dbraw/zinc/25/72/64/210257264.db2.gz ABLNAUYMJSJFGX-UHFFFAOYSA-N 1 2 394.523 2.604 40 0 GFABLO CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019498746 210253149 /nfs/dbraw/zinc/25/31/49/210253149.db2.gz OSRGAFXFLDWZES-HNNXBMFYSA-N 1 2 397.523 2.852 40 0 GFABLO CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019498746 210253152 /nfs/dbraw/zinc/25/31/52/210253152.db2.gz OSRGAFXFLDWZES-HNNXBMFYSA-N 1 2 397.523 2.852 40 0 GFABLO COc1ccc(CN(Cc2[nH]c[nH+]c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000012116773 209910041 /nfs/dbraw/zinc/91/00/41/209910041.db2.gz KQLJLYPRSSWYAY-MRXNPFEDSA-N 1 2 375.469 2.925 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000229944491 209189702 /nfs/dbraw/zinc/18/97/02/209189702.db2.gz UVNKWBCKIUPKEV-OZQHCQBDSA-N 1 2 396.418 2.516 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]32)c1 ZINC000306138999 212052636 /nfs/dbraw/zinc/05/26/36/212052636.db2.gz SMPVPGAHMBZFIW-NHCUHLMSSA-N 1 2 398.528 2.509 40 0 GFABLO Cc1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]32)c1 ZINC000306138999 212052647 /nfs/dbraw/zinc/05/26/47/212052647.db2.gz SMPVPGAHMBZFIW-NHCUHLMSSA-N 1 2 398.528 2.509 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306129136 212047832 /nfs/dbraw/zinc/04/78/32/212047832.db2.gz HVNLOMVIKGVFGF-FPOVZHCZSA-N 1 2 394.500 2.720 40 0 GFABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306129136 212047836 /nfs/dbraw/zinc/04/78/36/212047836.db2.gz HVNLOMVIKGVFGF-FPOVZHCZSA-N 1 2 394.500 2.720 40 0 GFABLO Cc1noc(C)c1-c1cnc(CC[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)cn1 ZINC000257318035 212024536 /nfs/dbraw/zinc/02/45/36/212024536.db2.gz VMFHJDGIDSICDW-SFHVURJKSA-N 1 2 394.479 2.959 40 0 GFABLO CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257203300 212001626 /nfs/dbraw/zinc/00/16/26/212001626.db2.gz APLGOGSSKXVMRX-OALUTQOASA-N 1 2 381.480 2.581 40 0 GFABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(F)cc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000101347615 211398340 /nfs/dbraw/zinc/39/83/40/211398340.db2.gz QGOXTTHFVIUWDE-NMLBUPMWSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(F)cc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)cc1 ZINC000101347615 211398343 /nfs/dbraw/zinc/39/83/43/211398343.db2.gz QGOXTTHFVIUWDE-NMLBUPMWSA-N 1 2 392.430 2.969 40 0 GFABLO CC(C)Nc1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ncc(F)cn1)CC2 ZINC000096260475 211327346 /nfs/dbraw/zinc/32/73/46/211327346.db2.gz ADVAYMKQGCYJNU-UHFFFAOYSA-N 1 2 398.486 2.672 40 0 GFABLO O=C(Cc1cccs1)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254121 211324296 /nfs/dbraw/zinc/32/42/96/211324296.db2.gz QZQJTHFZPVPRJV-UHFFFAOYSA-N 1 2 383.521 2.840 40 0 GFABLO COc1ccc(CC(=O)N2CCC(c3cncc(-n4cc[nH+]c4)n3)CC2)cc1 ZINC000072355321 211099076 /nfs/dbraw/zinc/09/90/76/211099076.db2.gz YUHAWSWIZIUWLK-UHFFFAOYSA-N 1 2 377.448 2.620 40 0 GFABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccncc2)C1 ZINC000072350638 211096887 /nfs/dbraw/zinc/09/68/87/211096887.db2.gz JGELSIYQCWPDBS-QGZVFWFLSA-N 1 2 376.464 2.568 40 0 GFABLO Cc1nc(N)c2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)nc2n1 ZINC000019743328 210291384 /nfs/dbraw/zinc/29/13/84/210291384.db2.gz MFTVHRQUAQZFDV-AWEZNQCLSA-N 1 2 394.454 2.873 40 0 GFABLO Cc1nc(N)c2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)nc2n1 ZINC000019743328 210291388 /nfs/dbraw/zinc/29/13/88/210291388.db2.gz MFTVHRQUAQZFDV-AWEZNQCLSA-N 1 2 394.454 2.873 40 0 GFABLO C[C@@H]1CCc2nc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)sc2C1 ZINC000019658801 210278328 /nfs/dbraw/zinc/27/83/28/210278328.db2.gz FTEYKMIDDPDFBZ-CYBMUJFWSA-N 1 2 387.509 2.540 40 0 GFABLO O=C1C[N@@H+](Cc2ccccc2)C[C@H](CO)N1c1ccc(Br)cc1 ZINC000091297276 136176338 /nfs/dbraw/zinc/17/63/38/136176338.db2.gz BAUSTOTVQBBTEM-QGZVFWFLSA-N 1 2 375.266 2.659 40 0 GFABLO O=C1C[N@H+](Cc2ccccc2)C[C@H](CO)N1c1ccc(Br)cc1 ZINC000091297276 136176339 /nfs/dbraw/zinc/17/63/39/136176339.db2.gz BAUSTOTVQBBTEM-QGZVFWFLSA-N 1 2 375.266 2.659 40 0 GFABLO CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670388 535170014 /nfs/dbraw/zinc/17/00/14/535170014.db2.gz VVEDKJNPNPKZSO-RBUKOAKNSA-N 1 2 388.491 2.511 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000104278577 570300616 /nfs/dbraw/zinc/30/06/16/570300616.db2.gz BQTQDLVHUAQOKM-OAHLLOKOSA-N 1 2 399.274 2.900 40 0 GFABLO CCc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609177 570323191 /nfs/dbraw/zinc/32/31/91/570323191.db2.gz WMPAGLFSHYGSPS-IBGZPJMESA-N 1 2 394.471 2.956 40 0 GFABLO CCc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609177 570323192 /nfs/dbraw/zinc/32/31/92/570323192.db2.gz WMPAGLFSHYGSPS-IBGZPJMESA-N 1 2 394.471 2.956 40 0 GFABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)CC2)c1 ZINC000057670363 570367972 /nfs/dbraw/zinc/36/79/72/570367972.db2.gz XTDGOZLJCMHBSN-PZJWPPBQSA-N 1 2 398.555 2.988 40 0 GFABLO COC(=O)c1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc(C(=O)OC)c1 ZINC000030942937 570501379 /nfs/dbraw/zinc/50/13/79/570501379.db2.gz ZJQSKGDWNCABKN-UHFFFAOYSA-N 1 2 393.399 2.757 40 0 GFABLO COc1cc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc(OC)c1 ZINC000225220363 570557750 /nfs/dbraw/zinc/55/77/50/570557750.db2.gz URURPNFLAOGGSX-UHFFFAOYSA-N 1 2 387.505 2.924 40 0 GFABLO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225671957 570601225 /nfs/dbraw/zinc/60/12/25/570601225.db2.gz DJYWSNFGPDGZFQ-NRFANRHFSA-N 1 2 376.497 2.931 40 0 GFABLO CCn1c2ccccc2nc1N1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000012116389 570610947 /nfs/dbraw/zinc/61/09/47/570610947.db2.gz NDJQBVQCKAUODK-UHFFFAOYSA-N 1 2 380.496 2.676 40 0 GFABLO CN(C)c1ncc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057823036 570704567 /nfs/dbraw/zinc/70/45/67/570704567.db2.gz HDOZAPAJASKBOD-UHFFFAOYSA-N 1 2 377.448 2.869 40 0 GFABLO CN(C)c1ncc(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057823036 570704570 /nfs/dbraw/zinc/70/45/70/570704570.db2.gz HDOZAPAJASKBOD-UHFFFAOYSA-N 1 2 377.448 2.869 40 0 GFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccn1 ZINC000261361810 570788040 /nfs/dbraw/zinc/78/80/40/570788040.db2.gz BBWKKPMCTFDDED-SFHVURJKSA-O 1 2 380.453 2.557 40 0 GFABLO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000027228763 570881050 /nfs/dbraw/zinc/88/10/50/570881050.db2.gz IRQWXYVDVWWVGM-HXUWFJFHSA-N 1 2 398.503 2.850 40 0 GFABLO O=c1c2ccccc2nc(SCC[NH+]2CCOCC2)n1-c1ccc(F)cc1 ZINC000020097867 570940711 /nfs/dbraw/zinc/94/07/11/570940711.db2.gz SVOFPADURWPHNO-UHFFFAOYSA-N 1 2 385.464 2.949 40 0 GFABLO Cc1nn(CCC(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019557116 210262827 /nfs/dbraw/zinc/26/28/27/210262827.db2.gz JGDWZEDABZXGDG-HXUWFJFHSA-N 1 2 396.539 2.730 40 0 GFABLO Cc1nn(CCC(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019557116 210262832 /nfs/dbraw/zinc/26/28/32/210262832.db2.gz JGDWZEDABZXGDG-HXUWFJFHSA-N 1 2 396.539 2.730 40 0 GFABLO CC(C)Oc1cc(CCC(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)on1 ZINC000019450507 210248350 /nfs/dbraw/zinc/24/83/50/210248350.db2.gz FDUNIHHPQPUAOT-QGZVFWFLSA-N 1 2 399.491 2.857 40 0 GFABLO Cn1nc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000019289056 210236983 /nfs/dbraw/zinc/23/69/83/210236983.db2.gz SLODCLXFQMJTPG-UHFFFAOYSA-N 1 2 393.466 2.508 40 0 GFABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 ZINC000019083670 210225850 /nfs/dbraw/zinc/22/58/50/210225850.db2.gz DVDZWQGSJBLRBH-KRWDZBQOSA-N 1 2 382.512 2.853 40 0 GFABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 ZINC000019083670 210225852 /nfs/dbraw/zinc/22/58/52/210225852.db2.gz DVDZWQGSJBLRBH-KRWDZBQOSA-N 1 2 382.512 2.853 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000013636658 210074664 /nfs/dbraw/zinc/07/46/64/210074664.db2.gz BQTQDLVHUAQOKM-HNNXBMFYSA-N 1 2 399.274 2.900 40 0 GFABLO O=C(c1cnccn1)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306139987 212053058 /nfs/dbraw/zinc/05/30/58/212053058.db2.gz UGCWMHHOMKYYGL-HXUWFJFHSA-N 1 2 396.454 2.904 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000306130764 212049761 /nfs/dbraw/zinc/04/97/61/212049761.db2.gz JOUOESSZYOVJJW-VXKWHMMOSA-N 1 2 384.545 2.603 40 0 GFABLO O=S1(=O)CCN(CCc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000306130764 212049764 /nfs/dbraw/zinc/04/97/64/212049764.db2.gz JOUOESSZYOVJJW-VXKWHMMOSA-N 1 2 384.545 2.603 40 0 GFABLO Cc1noc(C)c1-c1cccc([C@@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)n1 ZINC000257254454 212012607 /nfs/dbraw/zinc/01/26/07/212012607.db2.gz KDCPNHDQIHTDNR-SFHVURJKSA-N 1 2 381.436 2.540 40 0 GFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000100608569 211389595 /nfs/dbraw/zinc/38/95/95/211389595.db2.gz NMGOVUSWQPVCMX-WTGUMLROSA-N 1 2 390.439 2.530 40 0 GFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccccc2)cc1 ZINC000100608569 211389596 /nfs/dbraw/zinc/38/95/96/211389596.db2.gz NMGOVUSWQPVCMX-WTGUMLROSA-N 1 2 390.439 2.530 40 0 GFABLO CCc1cnc(N2CCc3cc(C(=O)N(C)C)c(NC(C)C)[nH+]c3CC2)nc1 ZINC000096260438 211327309 /nfs/dbraw/zinc/32/73/09/211327309.db2.gz IFAGORWRKWGKRQ-UHFFFAOYSA-N 1 2 382.512 2.561 40 0 GFABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)c2ccn[nH]2)CCC3(F)F)cs1 ZINC000096239792 211323506 /nfs/dbraw/zinc/32/35/06/211323506.db2.gz CFJIGXPXVUNIGW-MRXNPFEDSA-N 1 2 381.452 2.548 40 0 GFABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)c2ccn[nH]2)CCC3(F)F)cs1 ZINC000096239792 211323509 /nfs/dbraw/zinc/32/35/09/211323509.db2.gz CFJIGXPXVUNIGW-MRXNPFEDSA-N 1 2 381.452 2.548 40 0 GFABLO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4ccc(F)cc4)C3)OCC2=O)s1 ZINC000096051465 211297311 /nfs/dbraw/zinc/29/73/11/211297311.db2.gz GRRRWJWPVUVXMA-FQEVSTJZSA-N 1 2 390.480 2.830 40 0 GFABLO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4ccc(F)cc4)C3)OCC2=O)s1 ZINC000096051465 211297315 /nfs/dbraw/zinc/29/73/15/211297315.db2.gz GRRRWJWPVUVXMA-FQEVSTJZSA-N 1 2 390.480 2.830 40 0 GFABLO CCOCc1ccc(C(=O)N2CCc3nnc([C@H]4CCCC[N@@H+]4C)n3CC2)cc1 ZINC000019706402 210284269 /nfs/dbraw/zinc/28/42/69/210284269.db2.gz VBXAKXGIXCKEPB-LJQANCHMSA-N 1 2 397.523 2.670 40 0 GFABLO CCOCc1ccc(C(=O)N2CCc3nnc([C@H]4CCCC[N@H+]4C)n3CC2)cc1 ZINC000019706402 210284271 /nfs/dbraw/zinc/28/42/71/210284271.db2.gz VBXAKXGIXCKEPB-LJQANCHMSA-N 1 2 397.523 2.670 40 0 GFABLO CCOC(=O)C[N@@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121279 221154209 /nfs/dbraw/zinc/15/42/09/221154209.db2.gz DVQVXXUVWCPKSP-OAHLLOKOSA-N 1 2 383.452 2.744 40 0 GFABLO CCOC(=O)C[N@H+]1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012121279 221154212 /nfs/dbraw/zinc/15/42/12/221154212.db2.gz DVQVXXUVWCPKSP-OAHLLOKOSA-N 1 2 383.452 2.744 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000102004953 528643708 /nfs/dbraw/zinc/64/37/08/528643708.db2.gz ZTYSDMJKELDHFB-LJQANCHMSA-N 1 2 380.444 2.747 40 0 GFABLO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)nc1 ZINC000035424616 560081029 /nfs/dbraw/zinc/08/10/29/560081029.db2.gz IRYGUGYPWFCTCX-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)nc1 ZINC000035424616 560081030 /nfs/dbraw/zinc/08/10/30/560081030.db2.gz IRYGUGYPWFCTCX-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO O=C(/C=C/C[NH+]1CCOCC1)N1CCC2(CC1)C[C@@H](c1ccccc1)CCO2 ZINC000585290361 570258266 /nfs/dbraw/zinc/25/82/66/570258266.db2.gz BWCFJJGJCCLDOK-XBGMYJNYSA-N 1 2 384.520 2.830 40 0 GFABLO Cc1nc(Nc2ncccc2C)cc([C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)n1 ZINC000585292182 570261206 /nfs/dbraw/zinc/26/12/06/570261206.db2.gz YCSFSGKXAAHANQ-JFDDCEBESA-N 1 2 389.463 2.984 40 0 GFABLO Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c1 ZINC000020799937 570280969 /nfs/dbraw/zinc/28/09/69/570280969.db2.gz BCPXVLJVUNWEFR-OAHLLOKOSA-N 1 2 394.479 2.730 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000107798506 570311144 /nfs/dbraw/zinc/31/11/44/570311144.db2.gz LTIICTDNKUPHIX-MJGOQNOKSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3Cl)[C@H]2C1 ZINC000107798506 570311145 /nfs/dbraw/zinc/31/11/45/570311145.db2.gz LTIICTDNKUPHIX-MJGOQNOKSA-N 1 2 376.909 2.986 40 0 GFABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000072216172 570317031 /nfs/dbraw/zinc/31/70/31/570317031.db2.gz WPYYFTNSTYVGSU-IBGZPJMESA-N 1 2 387.505 2.752 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)CC2 ZINC000022609301 570323260 /nfs/dbraw/zinc/32/32/60/570323260.db2.gz REHCHAJLVUNCSP-QGZVFWFLSA-N 1 2 384.407 2.533 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(F)cc3)C1=O)CC2 ZINC000022609301 570323262 /nfs/dbraw/zinc/32/32/62/570323262.db2.gz REHCHAJLVUNCSP-QGZVFWFLSA-N 1 2 384.407 2.533 40 0 GFABLO CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219249316 570350453 /nfs/dbraw/zinc/35/04/53/570350453.db2.gz ONAVUCRMCYWPGT-UHFFFAOYSA-N 1 2 398.488 2.903 40 0 GFABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)[nH]1 ZINC000223170407 570448125 /nfs/dbraw/zinc/44/81/25/570448125.db2.gz ZBGLRWBNVMTMBV-WOJBJXKFSA-N 1 2 399.564 2.721 40 0 GFABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)[nH]1 ZINC000223170438 570448128 /nfs/dbraw/zinc/44/81/28/570448128.db2.gz ZBGLRWBNVMTMBV-UXHICEINSA-N 1 2 399.564 2.721 40 0 GFABLO O=C(C[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)NCc1ccco1 ZINC000035291837 570461191 /nfs/dbraw/zinc/46/11/91/570461191.db2.gz GWEKZERFNIIXLO-UHFFFAOYSA-N 1 2 399.535 2.693 40 0 GFABLO CCN(c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(C)(=O)=O ZINC000030752500 570494280 /nfs/dbraw/zinc/49/42/80/570494280.db2.gz PICDIOFYPFBYFD-UHFFFAOYSA-N 1 2 398.488 2.588 40 0 GFABLO C[NH+]1CCN(C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000044900210 570639947 /nfs/dbraw/zinc/63/99/47/570639947.db2.gz JHGZSAZHGGOZMF-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO C[C@@H]1Cc2cc([C@H](O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498025 210252246 /nfs/dbraw/zinc/25/22/46/210252246.db2.gz LRUZEEAIBABYPH-OXQOHEQNSA-N 1 2 396.487 2.590 40 0 GFABLO Cc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000019365937 210244142 /nfs/dbraw/zinc/24/41/42/210244142.db2.gz GPBMMKKNJWTVGV-XZOQPEGZSA-N 1 2 394.515 2.952 40 0 GFABLO CSc1nnc([C@H]2CCCN2C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000019289279 210238342 /nfs/dbraw/zinc/23/83/42/210238342.db2.gz CDJQNYZIDKVLAZ-LSDHHAIUSA-N 1 2 386.525 2.512 40 0 GFABLO COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019017119 210221188 /nfs/dbraw/zinc/22/11/88/210221188.db2.gz UXUFQUGUYHKEJD-GOSISDBHSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019017119 210221183 /nfs/dbraw/zinc/22/11/83/210221183.db2.gz UXUFQUGUYHKEJD-GOSISDBHSA-N 1 2 380.492 2.769 40 0 GFABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000013571939 210068259 /nfs/dbraw/zinc/06/82/59/210068259.db2.gz QGOXTTHFVIUWDE-IYWMVGAKSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000013571939 210068262 /nfs/dbraw/zinc/06/82/62/210068262.db2.gz QGOXTTHFVIUWDE-IYWMVGAKSA-N 1 2 392.430 2.969 40 0 GFABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(C)on2)cc1 ZINC000001346647 209320791 /nfs/dbraw/zinc/32/07/91/209320791.db2.gz YAQFEOMMTQQKSC-UHFFFAOYSA-N 1 2 396.432 2.851 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000306144276 212055111 /nfs/dbraw/zinc/05/51/11/212055111.db2.gz ZAYJJGDFRQJGPG-UHFFFAOYSA-N 1 2 383.477 2.677 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3cccs3)CC2)C1 ZINC000306144276 212055114 /nfs/dbraw/zinc/05/51/14/212055114.db2.gz ZAYJJGDFRQJGPG-UHFFFAOYSA-N 1 2 383.477 2.677 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000306132957 212048438 /nfs/dbraw/zinc/04/84/38/212048438.db2.gz LXKGMWRQSJVQPX-UHFFFAOYSA-N 1 2 383.477 2.677 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000306132957 212048442 /nfs/dbraw/zinc/04/84/42/212048442.db2.gz LXKGMWRQSJVQPX-UHFFFAOYSA-N 1 2 383.477 2.677 40 0 GFABLO Cc1c(Br)cccc1Nc1cc(C2CC2)[nH+]c(NCCCO)n1 ZINC000329037109 209158063 /nfs/dbraw/zinc/15/80/63/209158063.db2.gz RMEKCLRZFBKSBA-UHFFFAOYSA-N 1 2 377.286 2.807 40 0 GFABLO CCOC(=O)c1s/c(=N/c2ccc(C)cc2)n(CC[NH+]2CCOCC2)c1C ZINC000100053157 211381881 /nfs/dbraw/zinc/38/18/81/211381881.db2.gz JVJAKFZVIHNNGW-QZQOTICOSA-N 1 2 389.521 2.908 40 0 GFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)CC1CCCC1)CCC2 ZINC000096251281 211324647 /nfs/dbraw/zinc/32/46/47/211324647.db2.gz HIKLNKFORHMUKX-CVDCTZTESA-N 1 2 398.551 2.795 40 0 GFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc[nH+]1 ZINC000072360795 211100565 /nfs/dbraw/zinc/10/05/65/211100565.db2.gz IHNFPHMRQORNSH-HNNXBMFYSA-N 1 2 383.477 2.622 40 0 GFABLO c1ccc2c(c1)nc1n2[C@@H](c2cccnc2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000020638686 210354747 /nfs/dbraw/zinc/35/47/47/210354747.db2.gz SRBBADCUSHHTFB-FQEVSTJZSA-N 1 2 396.458 2.570 40 0 GFABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)c(F)c1 ZINC000019974066 210311012 /nfs/dbraw/zinc/31/10/12/210311012.db2.gz ZUGYFIAZWUIGKK-LBPRGKRZSA-N 1 2 398.442 2.561 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCC[N@H+]4C)n3CC1)CCCC2 ZINC000019706340 210284813 /nfs/dbraw/zinc/28/48/13/210284813.db2.gz HNHADABCQRLNRU-MRXNPFEDSA-N 1 2 383.496 2.524 40 0 GFABLO Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCC[N@@H+]4C)n3CC1)CCCC2 ZINC000019706340 210284815 /nfs/dbraw/zinc/28/48/15/210284815.db2.gz HNHADABCQRLNRU-MRXNPFEDSA-N 1 2 383.496 2.524 40 0 GFABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC000019588952 210273726 /nfs/dbraw/zinc/27/37/26/210273726.db2.gz LROMGFURBLJGFW-GOSISDBHSA-N 1 2 394.475 2.603 40 0 GFABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC000019588952 210273729 /nfs/dbraw/zinc/27/37/29/210273729.db2.gz LROMGFURBLJGFW-GOSISDBHSA-N 1 2 394.475 2.603 40 0 GFABLO CC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@H+]2Cc1ccccc1 ZINC000096230407 136185280 /nfs/dbraw/zinc/18/52/80/136185280.db2.gz NGJSNFLKJWUNFS-UHFFFAOYSA-N 1 2 392.503 2.620 40 0 GFABLO CC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@@H+]2Cc1ccccc1 ZINC000096230407 136185281 /nfs/dbraw/zinc/18/52/81/136185281.db2.gz NGJSNFLKJWUNFS-UHFFFAOYSA-N 1 2 392.503 2.620 40 0 GFABLO COCCCN1C(=O)CCc2c(C)nc(C[N@H+](C)CCc3ccccc3)nc21 ZINC000072370973 536540840 /nfs/dbraw/zinc/54/08/40/536540840.db2.gz NMZLOJIQNFJORO-UHFFFAOYSA-N 1 2 382.508 2.775 40 0 GFABLO COCCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)CCc3ccccc3)nc21 ZINC000072370973 536540844 /nfs/dbraw/zinc/54/08/44/536540844.db2.gz NMZLOJIQNFJORO-UHFFFAOYSA-N 1 2 382.508 2.775 40 0 GFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 ZINC000585291864 570260781 /nfs/dbraw/zinc/26/07/81/570260781.db2.gz UNJZIKBOTJTDOG-OWOJBTEDSA-N 1 2 395.492 2.894 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107816177 570311189 /nfs/dbraw/zinc/31/11/89/570311189.db2.gz AKWXQHJNYDUQSE-MJGOQNOKSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107816177 570311193 /nfs/dbraw/zinc/31/11/93/570311193.db2.gz AKWXQHJNYDUQSE-MJGOQNOKSA-N 1 2 376.909 2.986 40 0 GFABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1 ZINC000057670373 570367899 /nfs/dbraw/zinc/36/78/99/570367899.db2.gz XTDGOZLJCMHBSN-CTNGQTDRSA-N 1 2 398.555 2.988 40 0 GFABLO COc1ccc(-c2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000223073836 570441529 /nfs/dbraw/zinc/44/15/29/570441529.db2.gz UVUZUVHZRSNIPP-UHFFFAOYSA-N 1 2 389.415 2.920 40 0 GFABLO O=C(C[N@@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)NCCC1=CCCCC1 ZINC000012087294 570606189 /nfs/dbraw/zinc/60/61/89/570606189.db2.gz GJCVBKBIMYEVIN-QHCPKHFHSA-N 1 2 397.519 2.650 40 0 GFABLO O=C(C[N@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)NCCC1=CCCCC1 ZINC000012087294 570606192 /nfs/dbraw/zinc/60/61/92/570606192.db2.gz GJCVBKBIMYEVIN-QHCPKHFHSA-N 1 2 397.519 2.650 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118378 570612551 /nfs/dbraw/zinc/61/25/51/570612551.db2.gz DHHPGOOQKQVZMT-ZDUSSCGKSA-N 1 2 384.465 2.715 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012118378 570612554 /nfs/dbraw/zinc/61/25/54/570612554.db2.gz DHHPGOOQKQVZMT-ZDUSSCGKSA-N 1 2 384.465 2.715 40 0 GFABLO C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857169 570637080 /nfs/dbraw/zinc/63/70/80/570637080.db2.gz HSPNALJMZPAWQQ-HNNXBMFYSA-N 1 2 383.473 2.826 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000017081644 570919305 /nfs/dbraw/zinc/91/93/05/570919305.db2.gz FIMHXQAMZPEVJX-XHDPSFHLSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000017081644 570919308 /nfs/dbraw/zinc/91/93/08/570919308.db2.gz FIMHXQAMZPEVJX-XHDPSFHLSA-N 1 2 399.274 2.900 40 0 GFABLO CCOc1cc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)ccc1O ZINC000019531857 210257955 /nfs/dbraw/zinc/25/79/55/210257955.db2.gz CWJRRDODXMJOPJ-UHFFFAOYSA-N 1 2 398.507 2.669 40 0 GFABLO CCOc1cc(C[N@H+]2CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C2)ccc1O ZINC000019531857 210257962 /nfs/dbraw/zinc/25/79/62/210257962.db2.gz CWJRRDODXMJOPJ-UHFFFAOYSA-N 1 2 398.507 2.669 40 0 GFABLO c1nn(-c2ccccc2)cc1C[N@@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019374513 210245421 /nfs/dbraw/zinc/24/54/21/210245421.db2.gz ZCTNJWBQBCWSSV-UHFFFAOYSA-N 1 2 391.519 2.992 40 0 GFABLO c1nn(-c2ccccc2)cc1C[N@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019374513 210245427 /nfs/dbraw/zinc/24/54/27/210245427.db2.gz ZCTNJWBQBCWSSV-UHFFFAOYSA-N 1 2 391.519 2.992 40 0 GFABLO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[C@@H](c3[nH+]c(C)n4ccsc34)C2)n1 ZINC000019285850 210236045 /nfs/dbraw/zinc/23/60/45/210236045.db2.gz DWXXJOVZWMPEIR-BLLLJJGKSA-N 1 2 386.525 2.955 40 0 GFABLO COCC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143298 212055131 /nfs/dbraw/zinc/05/51/31/212055131.db2.gz XYBZVRCLZGGZAP-UNMCSNQZSA-N 1 2 399.491 2.618 40 0 GFABLO COCC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143298 212055134 /nfs/dbraw/zinc/05/51/34/212055134.db2.gz XYBZVRCLZGGZAP-UNMCSNQZSA-N 1 2 399.491 2.618 40 0 GFABLO COCC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143296 212055028 /nfs/dbraw/zinc/05/50/28/212055028.db2.gz XYBZVRCLZGGZAP-IRLDBZIGSA-N 1 2 399.491 2.618 40 0 GFABLO COCC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cc(-c3ccccc3)on1)CCO2 ZINC000306143296 212055030 /nfs/dbraw/zinc/05/50/30/212055030.db2.gz XYBZVRCLZGGZAP-IRLDBZIGSA-N 1 2 399.491 2.618 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306123935 212044400 /nfs/dbraw/zinc/04/44/00/212044400.db2.gz BAYCPEKGZUAETR-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306123935 212044404 /nfs/dbraw/zinc/04/44/04/212044404.db2.gz BAYCPEKGZUAETR-FPOVZHCZSA-N 1 2 377.469 2.899 40 0 GFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257310311 212022249 /nfs/dbraw/zinc/02/22/49/212022249.db2.gz UEPBQTVWJHSDTM-NRFANRHFSA-N 1 2 399.470 2.786 40 0 GFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000257310311 212022252 /nfs/dbraw/zinc/02/22/52/212022252.db2.gz UEPBQTVWJHSDTM-NRFANRHFSA-N 1 2 399.470 2.786 40 0 GFABLO Cc1cc2[nH]c(CCC(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)nc2c(C)c1 ZINC000257286092 212017964 /nfs/dbraw/zinc/01/79/64/212017964.db2.gz PKEJZGMAMHUGAI-CBGDNZLLSA-N 1 2 381.480 2.532 40 0 GFABLO Cc1nonc1COc1ccccc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257216214 212006130 /nfs/dbraw/zinc/00/61/30/212006130.db2.gz CTORGAUCDYFWGI-MRXNPFEDSA-N 1 2 393.447 2.751 40 0 GFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257212490 212003638 /nfs/dbraw/zinc/00/36/38/212003638.db2.gz CDRKAUJZOGQIQW-UGKGYDQZSA-N 1 2 397.450 2.755 40 0 GFABLO C[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000328989707 209156697 /nfs/dbraw/zinc/15/66/97/209156697.db2.gz ILRDZSBGGKDSFQ-SECBINFHSA-N 1 2 381.249 2.636 40 0 GFABLO Cc1ccc(S(=O)(=O)N2Cc3c(C[NH+]4CCCCC4)nn(C)c3C2)cc1F ZINC000096259141 211324971 /nfs/dbraw/zinc/32/49/71/211324971.db2.gz LAZDDUZUFOMOSK-UHFFFAOYSA-N 1 2 392.500 2.558 40 0 GFABLO CC(C)Nc1[nH+]c2c(cc1C(=O)NCC1CC1)CCN(c1ncc(F)cn1)CC2 ZINC000096086808 211300928 /nfs/dbraw/zinc/30/09/28/211300928.db2.gz CQLMCIBGWQPJCH-UHFFFAOYSA-N 1 2 398.486 2.576 40 0 GFABLO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4ccc(F)cc4)CCO3)C2)cs1 ZINC000096049819 211295757 /nfs/dbraw/zinc/29/57/57/211295757.db2.gz PYDBZTCEYOKHES-FQEVSTJZSA-N 1 2 391.512 2.694 40 0 GFABLO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4ccc(F)cc4)CCO3)C2)cs1 ZINC000096049819 211295766 /nfs/dbraw/zinc/29/57/66/211295766.db2.gz PYDBZTCEYOKHES-FQEVSTJZSA-N 1 2 391.512 2.694 40 0 GFABLO CC(=O)NC1(c2ccccc2F)CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000072341582 211092927 /nfs/dbraw/zinc/09/29/27/211092927.db2.gz NQKZAUQCJLVNBW-UHFFFAOYSA-N 1 2 395.478 2.842 40 0 GFABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000072342289 211092719 /nfs/dbraw/zinc/09/27/19/211092719.db2.gz QJPYZZCOFXIJET-UHFFFAOYSA-N 1 2 380.492 2.604 40 0 GFABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1 ZINC000072353224 211096982 /nfs/dbraw/zinc/09/69/82/211096982.db2.gz MTIIFWOXRFRNKE-KRWDZBQOSA-N 1 2 398.492 2.788 40 0 GFABLO Cc1noc2nc(C)cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)c12 ZINC000019715846 210287344 /nfs/dbraw/zinc/28/73/44/210287344.db2.gz ZTRALJWSBFHKCI-LJQANCHMSA-N 1 2 394.475 2.951 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 ZINC000014607426 221313699 /nfs/dbraw/zinc/31/36/99/221313699.db2.gz DLDAEOMDHGTYPP-CZUORRHYSA-N 1 2 378.856 2.555 40 0 GFABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2=O)C1 ZINC000014607426 221313702 /nfs/dbraw/zinc/31/37/02/221313702.db2.gz DLDAEOMDHGTYPP-CZUORRHYSA-N 1 2 378.856 2.555 40 0 GFABLO CC(C)[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057719365 136153817 /nfs/dbraw/zinc/15/38/17/136153817.db2.gz CWJARBPJHZWNJA-IBGZPJMESA-N 1 2 384.459 2.973 40 0 GFABLO Cn1ccnc1C[N@@H+]1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096242622 136185528 /nfs/dbraw/zinc/18/55/28/136185528.db2.gz XNOUNBLMGMIOKA-UHFFFAOYSA-N 1 2 392.482 2.903 40 0 GFABLO Cn1ccnc1C[N@H+]1Cc2ccccc2C2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096242622 136185529 /nfs/dbraw/zinc/18/55/29/136185529.db2.gz XNOUNBLMGMIOKA-UHFFFAOYSA-N 1 2 392.482 2.903 40 0 GFABLO Cc1ccc2occ(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c(=O)c2c1 ZINC000019219777 524098481 /nfs/dbraw/zinc/09/84/81/524098481.db2.gz RBHAVUIBTWFWQU-UHFFFAOYSA-N 1 2 393.487 2.831 40 0 GFABLO Cc1ccc2occ(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c(=O)c2c1 ZINC000019219777 524098490 /nfs/dbraw/zinc/09/84/90/524098490.db2.gz RBHAVUIBTWFWQU-UHFFFAOYSA-N 1 2 393.487 2.831 40 0 GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cn1 ZINC000035425215 560080520 /nfs/dbraw/zinc/08/05/20/560080520.db2.gz MHYUNZKEUZCSJO-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cn1 ZINC000035425215 560080521 /nfs/dbraw/zinc/08/05/21/560080521.db2.gz MHYUNZKEUZCSJO-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000585266302 570233260 /nfs/dbraw/zinc/23/32/60/570233260.db2.gz JOEBZZZAZFIRLT-LPHOPBHVSA-N 1 2 391.468 2.504 40 0 GFABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000585266302 570233261 /nfs/dbraw/zinc/23/32/61/570233261.db2.gz JOEBZZZAZFIRLT-LPHOPBHVSA-N 1 2 391.468 2.504 40 0 GFABLO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670438 570367880 /nfs/dbraw/zinc/36/78/80/570367880.db2.gz KJYWNIJDMWPQEF-VQTJNVASSA-N 1 2 384.528 2.906 40 0 GFABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)CC2)c1 ZINC000057670369 570367927 /nfs/dbraw/zinc/36/79/27/570367927.db2.gz XTDGOZLJCMHBSN-TZIWHRDSSA-N 1 2 398.555 2.988 40 0 GFABLO CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000028201823 570452352 /nfs/dbraw/zinc/45/23/52/570452352.db2.gz RHSDMLRZGYZMMA-UHFFFAOYSA-N 1 2 398.488 2.528 40 0 GFABLO O=C(NCC[NH+]1CCOCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000038753863 570581920 /nfs/dbraw/zinc/58/19/20/570581920.db2.gz DBZXWNWSVOESSI-UHFFFAOYSA-N 1 2 386.517 2.920 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000004885759 570642679 /nfs/dbraw/zinc/64/26/79/570642679.db2.gz JWHVOBLPPCZCFU-ISJRUSPKSA-N 1 2 392.455 2.685 40 0 GFABLO Cc1cc(Br)cc(C)c1N1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000137101569 570646170 /nfs/dbraw/zinc/64/61/70/570646170.db2.gz RSAOXPKCAIFZMO-GHMZBOCLSA-N 1 2 375.313 2.720 40 0 GFABLO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000104190049 570727368 /nfs/dbraw/zinc/72/73/68/570727368.db2.gz SQAJLAVFEKAKKH-INDMIFKZSA-N 1 2 392.386 2.514 40 0 GFABLO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000104190049 570727370 /nfs/dbraw/zinc/72/73/70/570727370.db2.gz SQAJLAVFEKAKKH-INDMIFKZSA-N 1 2 392.386 2.514 40 0 GFABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccnc1 ZINC000261363265 570787902 /nfs/dbraw/zinc/78/79/02/570787902.db2.gz GPUMABGBTKILFN-IBGZPJMESA-O 1 2 394.480 2.947 40 0 GFABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1O ZINC000261363683 570788512 /nfs/dbraw/zinc/78/85/12/570788512.db2.gz VUCCPLZRHMABLE-QGZVFWFLSA-O 1 2 383.453 2.935 40 0 GFABLO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2)N1CCCC1 ZINC000585102225 570926794 /nfs/dbraw/zinc/92/67/94/570926794.db2.gz UOHBYWDTXDDVES-FQEVSTJZSA-N 1 2 393.890 2.782 40 0 GFABLO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2)N1CCCC1 ZINC000585102225 570926797 /nfs/dbraw/zinc/92/67/97/570926797.db2.gz UOHBYWDTXDDVES-FQEVSTJZSA-N 1 2 393.890 2.782 40 0 GFABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccccn1)CCO2 ZINC000306128323 222795284 /nfs/dbraw/zinc/79/52/84/222795284.db2.gz GXJLQFZZCQFHTE-FXAWDEMLSA-N 1 2 386.521 2.790 40 0 GFABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccccn1)CCO2 ZINC000306128323 222795286 /nfs/dbraw/zinc/79/52/86/222795286.db2.gz GXJLQFZZCQFHTE-FXAWDEMLSA-N 1 2 386.521 2.790 40 0 GFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)no1 ZINC000012118598 221153112 /nfs/dbraw/zinc/15/31/12/221153112.db2.gz MJJBVGXJAOZUKN-QGZVFWFLSA-N 1 2 392.463 2.962 40 0 GFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)no1 ZINC000012118598 221153113 /nfs/dbraw/zinc/15/31/13/221153113.db2.gz MJJBVGXJAOZUKN-QGZVFWFLSA-N 1 2 392.463 2.962 40 0 GFABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 ZINC000019083668 221397044 /nfs/dbraw/zinc/39/70/44/221397044.db2.gz DVDZWQGSJBLRBH-QGZVFWFLSA-N 1 2 382.512 2.853 40 0 GFABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 ZINC000019083668 221397048 /nfs/dbraw/zinc/39/70/48/221397048.db2.gz DVDZWQGSJBLRBH-QGZVFWFLSA-N 1 2 382.512 2.853 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2Cl)C3)C[C@H](C)O1 ZINC000072347252 136168717 /nfs/dbraw/zinc/16/87/17/136168717.db2.gz AHUSHPGMICLJSZ-OKILXGFUSA-N 1 2 388.899 2.595 40 0 GFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2Cl)C3)C[C@H](C)O1 ZINC000072347252 136168718 /nfs/dbraw/zinc/16/87/18/136168718.db2.gz AHUSHPGMICLJSZ-OKILXGFUSA-N 1 2 388.899 2.595 40 0 GFABLO C[C@@H]1CN(c2nccc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)n2)C[C@H](C)O1 ZINC000072348157 136168895 /nfs/dbraw/zinc/16/88/95/136168895.db2.gz FFVWDYBAQAAGGR-HDICACEKSA-N 1 2 399.514 2.547 40 0 GFABLO C[C@@H]1CN(c2nccc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@H](C)O1 ZINC000072348157 136168896 /nfs/dbraw/zinc/16/88/96/136168896.db2.gz FFVWDYBAQAAGGR-HDICACEKSA-N 1 2 399.514 2.547 40 0 GFABLO O=C(NCc1ccccc1CN1CCCC1=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044853829 221955419 /nfs/dbraw/zinc/95/54/19/221955419.db2.gz IYABGIYVTCKHQS-UHFFFAOYSA-N 1 2 388.471 2.984 40 0 GFABLO COc1cc(C)ccc1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(C)=O)CC2 ZINC000072372788 222243271 /nfs/dbraw/zinc/24/32/71/222243271.db2.gz WJYFOKABOHCQSR-LJQANCHMSA-N 1 2 397.523 2.727 40 0 GFABLO COc1cc(C)ccc1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(C)=O)CC2 ZINC000072372788 222243273 /nfs/dbraw/zinc/24/32/73/222243273.db2.gz WJYFOKABOHCQSR-LJQANCHMSA-N 1 2 397.523 2.727 40 0 GFABLO COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)c1 ZINC000072390901 222246654 /nfs/dbraw/zinc/24/66/54/222246654.db2.gz MJGFBIDKKDAPTQ-GOSISDBHSA-N 1 2 380.492 2.769 40 0 GFABLO COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCN(C(C)=O)C4)ncc3C2)c1 ZINC000072390901 222246659 /nfs/dbraw/zinc/24/66/59/222246659.db2.gz MJGFBIDKKDAPTQ-GOSISDBHSA-N 1 2 380.492 2.769 40 0 GFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000072398759 222253963 /nfs/dbraw/zinc/25/39/63/222253963.db2.gz UYEQSLYSJIMRQG-ZBFHGGJFSA-N 1 2 397.523 2.563 40 0 GFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@H]5C[C@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000072398759 222253968 /nfs/dbraw/zinc/25/39/68/222253968.db2.gz UYEQSLYSJIMRQG-ZBFHGGJFSA-N 1 2 397.523 2.563 40 0 GFABLO C[NH+]1CCN(C(=O)c2cnc(-c3noc4cc(N5CCCC5)ccc43)s2)CC1 ZINC000096266587 222406800 /nfs/dbraw/zinc/40/68/00/222406800.db2.gz VMECGQJQCJCKAT-UHFFFAOYSA-N 1 2 397.504 2.939 40 0 GFABLO c1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)ccn1 ZINC000035425308 560080122 /nfs/dbraw/zinc/08/01/22/560080122.db2.gz DARCGBYMQPGWPG-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO c1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)ccn1 ZINC000035425308 560080123 /nfs/dbraw/zinc/08/01/23/560080123.db2.gz DARCGBYMQPGWPG-SFHVURJKSA-N 1 2 392.463 2.700 40 0 biogenic,in-vitro GFABLO CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020110747 570240681 /nfs/dbraw/zinc/24/06/81/570240681.db2.gz VJTIAERMVFGLQM-UHFFFAOYSA-N 1 2 398.488 2.588 40 0 GFABLO CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020483836 570262165 /nfs/dbraw/zinc/26/21/65/570262165.db2.gz SAZQULKVGNMCEV-UHFFFAOYSA-N 1 2 381.476 2.909 40 0 GFABLO c1coc(CN2C[NH+]=C3N[C@@H](c4cccnc4)n4c5ccccc5nc4N3C2)c1 ZINC000020638690 570273828 /nfs/dbraw/zinc/27/38/28/570273828.db2.gz GYQHJGPCUUPWCW-LJQANCHMSA-N 1 2 385.431 2.768 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)CC1 ZINC000102241961 570287794 /nfs/dbraw/zinc/28/77/94/570287794.db2.gz AYJSLPPVGXUQSI-INIZCTEOSA-N 1 2 378.856 2.555 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000022609124 570323214 /nfs/dbraw/zinc/32/32/14/570323214.db2.gz DMPCEGOONBUGJA-SFHVURJKSA-N 1 2 380.444 2.702 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000022609124 570323215 /nfs/dbraw/zinc/32/32/15/570323215.db2.gz DMPCEGOONBUGJA-SFHVURJKSA-N 1 2 380.444 2.702 40 0 GFABLO Cc1ccc(-c2noc(CNC(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000219248150 570350359 /nfs/dbraw/zinc/35/03/59/570350359.db2.gz RNRPTTSHXOXCMJ-UHFFFAOYSA-N 1 2 392.459 2.807 40 0 GFABLO CCN(C(=O)C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1)c1ccccc1 ZINC000070638005 570411135 /nfs/dbraw/zinc/41/11/35/570411135.db2.gz GDUUWKRVLKUUIY-UHFFFAOYSA-N 1 2 376.464 2.932 40 0 GFABLO CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223204920 570449830 /nfs/dbraw/zinc/44/98/30/570449830.db2.gz VHHZEGVBKRZPDY-WOJBJXKFSA-N 1 2 399.564 2.598 40 0 GFABLO COc1ccc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000027233048 570494468 /nfs/dbraw/zinc/49/44/68/570494468.db2.gz SWQHCHNNCXZSFB-KRWDZBQOSA-O 1 2 383.453 2.848 40 0 GFABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)cc2c1 ZINC000000892799 570512379 /nfs/dbraw/zinc/51/23/79/570512379.db2.gz KFDVDCDKSVQDBN-LJQANCHMSA-N 1 2 394.479 2.824 40 0 GFABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000036752882 570569949 /nfs/dbraw/zinc/56/99/49/570569949.db2.gz LMUAEZOFWNFJCP-GOSISDBHSA-N 1 2 396.447 2.649 40 0 GFABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000036752882 570569953 /nfs/dbraw/zinc/56/99/53/570569953.db2.gz LMUAEZOFWNFJCP-GOSISDBHSA-N 1 2 396.447 2.649 40 0 GFABLO COC(=O)c1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778409 570616299 /nfs/dbraw/zinc/61/62/99/570616299.db2.gz HXZDQWWILROYMW-UHFFFAOYSA-N 1 2 399.516 2.792 40 0 GFABLO CCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000004908906 570647874 /nfs/dbraw/zinc/64/78/74/570647874.db2.gz YXQKXDYQKXTSSQ-UHFFFAOYSA-N 1 2 381.476 2.918 40 0 GFABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3cccc(Cl)c3)C2)C1)N1CCCC1 ZINC000247723691 570715469 /nfs/dbraw/zinc/71/54/69/570715469.db2.gz BDMVUMJVMJRXLA-SFHVURJKSA-N 1 2 378.900 2.712 40 0 GFABLO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)C[N@@H+](C)Cc1ccccc1F ZINC000257271530 570773516 /nfs/dbraw/zinc/77/35/16/570773516.db2.gz MYRMXYAYCNAVAW-FPOVZHCZSA-N 1 2 375.488 2.650 40 0 GFABLO CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)C[N@H+](C)Cc1ccccc1F ZINC000257271530 570773520 /nfs/dbraw/zinc/77/35/20/570773520.db2.gz MYRMXYAYCNAVAW-FPOVZHCZSA-N 1 2 375.488 2.650 40 0 GFABLO CNc1nc([C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1C[N@H+](C)CC2 ZINC000257278297 570774532 /nfs/dbraw/zinc/77/45/32/570774532.db2.gz OBRMQZARIBZQBH-SFHVURJKSA-N 1 2 393.535 2.682 40 0 GFABLO CNc1nc([C@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257278297 570774533 /nfs/dbraw/zinc/77/45/33/570774533.db2.gz OBRMQZARIBZQBH-SFHVURJKSA-N 1 2 393.535 2.682 40 0 GFABLO Cc1cccc(Nc2ccc([C@H]3CN(CC(=O)N4CCCCC4)CCO3)nc2)[nH+]1 ZINC000257302691 570778375 /nfs/dbraw/zinc/77/83/75/570778375.db2.gz SDWOZIZQAFPCMG-HXUWFJFHSA-N 1 2 395.507 2.914 40 0 GFABLO CC[C@H](c1nnnn1Cc1ccco1)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019500691 570926889 /nfs/dbraw/zinc/92/68/89/570926889.db2.gz GGRUMOVCXMAAQM-LJQANCHMSA-N 1 2 396.495 2.592 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1O ZINC000019453683 570986053 /nfs/dbraw/zinc/98/60/53/570986053.db2.gz HDQUMZNCJBYQMA-UHFFFAOYSA-N 1 2 398.507 2.709 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1O ZINC000019453683 570986055 /nfs/dbraw/zinc/98/60/55/570986055.db2.gz HDQUMZNCJBYQMA-UHFFFAOYSA-N 1 2 398.507 2.709 40 0 GFABLO CCCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019501300 570993086 /nfs/dbraw/zinc/99/30/86/570993086.db2.gz NFJLBWUMWDHASC-OAHLLOKOSA-N 1 2 385.512 2.708 40 0 GFABLO CCCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019501300 570993089 /nfs/dbraw/zinc/99/30/89/570993089.db2.gz NFJLBWUMWDHASC-OAHLLOKOSA-N 1 2 385.512 2.708 40 0 GFABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000408675438 231093325 /nfs/dbraw/zinc/09/33/25/231093325.db2.gz IQVSUIPEMKAXJQ-UHFFFAOYSA-N 1 2 377.444 2.572 40 0 GFABLO CN1CC[NH+](CCNc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000328976785 212091014 /nfs/dbraw/zinc/09/10/14/212091014.db2.gz FPUXHXFPWNECQW-UHFFFAOYSA-N 1 2 399.848 2.897 40 0 GFABLO CCOC(=O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CC[NH+](CC(C)=O)CC1 ZINC000012157108 221159600 /nfs/dbraw/zinc/15/96/00/221159600.db2.gz ZYOGXUNXTOVPBA-INIZCTEOSA-N 1 2 390.455 2.943 40 0 GFABLO O=S1(=O)N[C@H](C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)Nc2ccccc21 ZINC000012221922 221169787 /nfs/dbraw/zinc/16/97/87/221169787.db2.gz RAJUFOXZTZLYMQ-HXUWFJFHSA-N 1 2 397.504 2.505 40 0 GFABLO COc1cc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)ccc1O ZINC000016807468 221372872 /nfs/dbraw/zinc/37/28/72/221372872.db2.gz WBCLOTMXMSFNKH-CQSZACIVSA-N 1 2 385.416 2.940 40 0 GFABLO COc1cc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)ccc1O ZINC000016807468 221372875 /nfs/dbraw/zinc/37/28/75/221372875.db2.gz WBCLOTMXMSFNKH-CQSZACIVSA-N 1 2 385.416 2.940 40 0 GFABLO COc1ccccc1N1C[C@@H](NC(=O)[C@H](C)n2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286678 221403167 /nfs/dbraw/zinc/40/31/67/221403167.db2.gz LFIBFAABBNVWTF-HOCLYGCPSA-N 1 2 392.459 2.836 40 0 GFABLO Cc1cc(C(=O)N2CCc3[nH+]c(N4CCOCC4)nc(NC(C)C)c3C2)c(C)o1 ZINC000096254286 136185938 /nfs/dbraw/zinc/18/59/38/136185938.db2.gz CDNHPVQBKLACKI-UHFFFAOYSA-N 1 2 399.495 2.542 40 0 GFABLO CN(c1ccc2ccc(C(=O)NCC[NH+]3CCOCC3)cn21)c1ccc(F)cc1 ZINC000096146191 222389717 /nfs/dbraw/zinc/38/97/17/222389717.db2.gz JOXWBLZNXSLXSC-UHFFFAOYSA-N 1 2 396.466 2.908 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000130425390 528066058 /nfs/dbraw/zinc/06/60/58/528066058.db2.gz SGYNYWXMKKYZDQ-FZMZJTMJSA-N 1 2 399.274 2.900 40 0 GFABLO CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000130425390 528066060 /nfs/dbraw/zinc/06/60/60/528066060.db2.gz SGYNYWXMKKYZDQ-FZMZJTMJSA-N 1 2 399.274 2.900 40 0 GFABLO COCCNC(=O)c1cc(-c2cn(Cc3cccnc3)c(C)[nH+]2)n2ccccc12 ZINC000096266821 570227250 /nfs/dbraw/zinc/22/72/50/570227250.db2.gz HSIUJVNJBISUGH-UHFFFAOYSA-N 1 2 389.459 2.931 40 0 GFABLO CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000096268367 570227881 /nfs/dbraw/zinc/22/78/81/570227881.db2.gz PGHWXWOYMBGRDE-FKBYEOEOSA-N 1 2 386.455 2.919 40 0 GFABLO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000034706384 570302170 /nfs/dbraw/zinc/30/21/70/570302170.db2.gz WLIUZWVUOPRDGB-JHJVBQTASA-N 1 2 391.443 2.920 40 0 GFABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000057669949 570367403 /nfs/dbraw/zinc/36/74/03/570367403.db2.gz FSAJWXQZFCPHEF-INIZCTEOSA-N 1 2 390.919 2.758 40 0 GFABLO COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670042 570367605 /nfs/dbraw/zinc/36/76/05/570367605.db2.gz RUQUOMZBQAQEBU-GOSISDBHSA-N 1 2 392.935 2.801 40 0 GFABLO Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223167561 570447631 /nfs/dbraw/zinc/44/76/31/570447631.db2.gz FCCXBLSRWNGKAX-MOPGFXCFSA-N 1 2 386.521 2.678 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000009288896 570774684 /nfs/dbraw/zinc/77/46/84/570774684.db2.gz WFXAJLPERYSJRD-HNNXBMFYSA-N 1 2 398.381 2.612 40 0 GFABLO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257287113 570775883 /nfs/dbraw/zinc/77/58/83/570775883.db2.gz POOUFMCOARPNKA-IDHHARJASA-N 1 2 387.871 2.535 40 0 GFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccccn1 ZINC000261365663 570788759 /nfs/dbraw/zinc/78/87/59/570788759.db2.gz ULMVMMVEVUGBKW-IBGZPJMESA-O 1 2 394.480 2.947 40 0 GFABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C(C)(C)C)C(C)C)CC1 ZINC000019445943 570925900 /nfs/dbraw/zinc/92/59/00/570925900.db2.gz RQSJSDXNYDMBSK-IBGZPJMESA-N 1 2 386.544 2.952 40 0 GFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)n1 ZINC000585102784 570930962 /nfs/dbraw/zinc/93/09/62/570930962.db2.gz HUSLGIDTYIFMTC-INIZCTEOSA-N 1 2 379.451 2.533 40 0 GFABLO Cn1ccc(C(=O)N2Cc3ccccc3[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000306125776 570936949 /nfs/dbraw/zinc/93/69/49/570936949.db2.gz DBXVIDCTTZYBGT-FQEVSTJZSA-N 1 2 398.470 2.848 40 0 GFABLO Cc1ccc(C(=O)N2C[C@H](c3cn(C)c[nH+]3)[C@]3(CCN(CC4CC4)C3=O)C2)s1 ZINC000306127634 570937243 /nfs/dbraw/zinc/93/72/43/570937243.db2.gz GDYGPPLAUMBINW-IERDGZPVSA-N 1 2 398.532 2.658 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2S3(=O)=O)cn1 ZINC000306127200 570937315 /nfs/dbraw/zinc/93/73/15/570937315.db2.gz FRLDURIMZUNAAW-PZJWPPBQSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2S3(=O)=O)cn1 ZINC000306127200 570937317 /nfs/dbraw/zinc/93/73/17/570937317.db2.gz FRLDURIMZUNAAW-PZJWPPBQSA-N 1 2 397.475 2.982 40 0 GFABLO C[N@@H+]1Cc2nnc(-c3ccccc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306126968 570937401 /nfs/dbraw/zinc/93/74/01/570937401.db2.gz FKNPKKQTVMTQSE-UHFFFAOYSA-N 1 2 377.448 2.615 40 0 GFABLO C[N@H+]1Cc2nnc(-c3ccccc3)n2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000306126968 570937403 /nfs/dbraw/zinc/93/74/03/570937403.db2.gz FKNPKKQTVMTQSE-UHFFFAOYSA-N 1 2 377.448 2.615 40 0 GFABLO Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)o1 ZINC000306141547 570945346 /nfs/dbraw/zinc/94/53/46/570945346.db2.gz VZYZBQMUQBSWOK-UHFFFAOYSA-N 1 2 381.436 2.516 40 0 GFABLO Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)o1 ZINC000306141547 570945347 /nfs/dbraw/zinc/94/53/47/570945347.db2.gz VZYZBQMUQBSWOK-UHFFFAOYSA-N 1 2 381.436 2.516 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000306142263 570945852 /nfs/dbraw/zinc/94/58/52/570945852.db2.gz WUTPUHDZZFYURA-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000306142263 570945853 /nfs/dbraw/zinc/94/58/53/570945853.db2.gz WUTPUHDZZFYURA-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306144812 570947126 /nfs/dbraw/zinc/94/71/26/570947126.db2.gz ZPDCSQJOTVBFEN-JOCHJYFZSA-N 1 2 399.502 2.983 40 0 GFABLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306144812 570947127 /nfs/dbraw/zinc/94/71/27/570947127.db2.gz ZPDCSQJOTVBFEN-JOCHJYFZSA-N 1 2 399.502 2.983 40 0 GFABLO Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000022402132 570961608 /nfs/dbraw/zinc/96/16/08/570961608.db2.gz HOCMBVFQAUOOOE-UHFFFAOYSA-N 1 2 398.479 2.710 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000229944846 570961942 /nfs/dbraw/zinc/96/19/42/570961942.db2.gz JWHVOBLPPCZCFU-FZONSQQESA-N 1 2 392.455 2.685 40 0 GFABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4)C3)[nH+]c(C)n12 ZINC000019240450 570969302 /nfs/dbraw/zinc/96/93/02/570969302.db2.gz YAIOBUOKIZYHGS-CQSZACIVSA-N 1 2 384.509 2.888 40 0 GFABLO c1csc(-c2n[nH]cc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)c1 ZINC000019338640 570976453 /nfs/dbraw/zinc/97/64/53/570976453.db2.gz RODMOLCCEJOEJO-UHFFFAOYSA-N 1 2 383.521 2.868 40 0 GFABLO O=c1cccc2n1[C@H]1C[C@@H](C2)C[N@@H+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000019347414 570978127 /nfs/dbraw/zinc/97/81/27/570978127.db2.gz NCMAVXWCCOAJGL-OCCSQVGLSA-N 1 2 383.839 2.566 40 0 GFABLO O=c1cccc2n1[C@H]1C[C@@H](C2)C[N@H+](Cc2nc(-c3cccnc3Cl)no2)C1 ZINC000019347414 570978130 /nfs/dbraw/zinc/97/81/30/570978130.db2.gz NCMAVXWCCOAJGL-OCCSQVGLSA-N 1 2 383.839 2.566 40 0 GFABLO c1[nH]nc(-c2ccccc2)c1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019373957 570981633 /nfs/dbraw/zinc/98/16/33/570981633.db2.gz KPJAFWNVBHPPDL-UHFFFAOYSA-N 1 2 377.492 2.806 40 0 GFABLO Cc1nc2cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)ccc2n1-c1ccccc1 ZINC000019657182 571023871 /nfs/dbraw/zinc/02/38/71/571023871.db2.gz WWRRKUGWKCMKJT-MRXNPFEDSA-N 1 2 378.476 2.784 40 0 GFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)no1 ZINC000019688741 571028713 /nfs/dbraw/zinc/02/87/13/571028713.db2.gz LXCJBPGRNJSKLA-KRWDZBQOSA-N 1 2 392.463 2.840 40 0 GFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3ccc(-c4ccc(N)nc4)cn3)C2)no1 ZINC000019688741 571028715 /nfs/dbraw/zinc/02/87/15/571028715.db2.gz LXCJBPGRNJSKLA-KRWDZBQOSA-N 1 2 392.463 2.840 40 0 GFABLO CCOCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCCC[N@@H+]4C)n3CC2)cc1 ZINC000019706401 571032411 /nfs/dbraw/zinc/03/24/11/571032411.db2.gz VBXAKXGIXCKEPB-IBGZPJMESA-N 1 2 397.523 2.670 40 0 GFABLO CCOCc1ccc(C(=O)N2CCc3nnc([C@@H]4CCCC[N@H+]4C)n3CC2)cc1 ZINC000019706401 571032413 /nfs/dbraw/zinc/03/24/13/571032413.db2.gz VBXAKXGIXCKEPB-IBGZPJMESA-N 1 2 397.523 2.670 40 0 GFABLO OCCNc1nc(Nc2ccccc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329025279 212093301 /nfs/dbraw/zinc/09/33/01/212093301.db2.gz PFEZPVJOCXMKPI-UHFFFAOYSA-N 1 2 385.265 2.898 40 0 GFABLO OCc1nnc2n1CC[N@@H+](Cc1cn(Cc3ccccc3F)c3ccccc13)C2 ZINC000012344364 221184029 /nfs/dbraw/zinc/18/40/29/221184029.db2.gz APXWPACYEXEDQD-UHFFFAOYSA-N 1 2 391.450 2.928 40 0 GFABLO OCc1nnc2n1CC[N@H+](Cc1cn(Cc3ccccc3F)c3ccccc13)C2 ZINC000012344364 221184031 /nfs/dbraw/zinc/18/40/31/221184031.db2.gz APXWPACYEXEDQD-UHFFFAOYSA-N 1 2 391.450 2.928 40 0 GFABLO O=C(NCC[NH+]1CCOCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044885141 132420190 /nfs/dbraw/zinc/42/01/90/132420190.db2.gz YLMHYFVQRNRNEI-UHFFFAOYSA-N 1 2 379.504 2.701 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080574 222376279 /nfs/dbraw/zinc/37/62/79/222376279.db2.gz HGSIBYOOHYUPLA-IEBWSBKVSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096080574 222376283 /nfs/dbraw/zinc/37/62/83/222376283.db2.gz HGSIBYOOHYUPLA-IEBWSBKVSA-N 1 2 376.909 2.986 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215772 222398665 /nfs/dbraw/zinc/39/86/65/222398665.db2.gz MNWAMSCKOVLRPH-LJQANCHMSA-N 1 2 391.562 2.961 40 0 GFABLO O=S(=O)(Cc1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215772 222398670 /nfs/dbraw/zinc/39/86/70/222398670.db2.gz MNWAMSCKOVLRPH-LJQANCHMSA-N 1 2 391.562 2.961 40 0 GFABLO CCSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3nc(C)cs3)C2)n1C ZINC000005001506 551095878 /nfs/dbraw/zinc/09/58/78/551095878.db2.gz STKYCRXNXBPNFX-LBPRGKRZSA-N 1 2 380.543 2.510 40 0 GFABLO CCSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3nc(C)cs3)C2)n1C ZINC000005001506 551095881 /nfs/dbraw/zinc/09/58/81/551095881.db2.gz STKYCRXNXBPNFX-LBPRGKRZSA-N 1 2 380.543 2.510 40 0 GFABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289427 560032386 /nfs/dbraw/zinc/03/23/86/560032386.db2.gz TXSMETWKTDDGMS-GJZGRUSLSA-N 1 2 387.480 2.706 40 0 biogenic,in-vitro GFABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](C4CCOCC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289427 560032387 /nfs/dbraw/zinc/03/23/87/560032387.db2.gz TXSMETWKTDDGMS-GJZGRUSLSA-N 1 2 387.480 2.706 40 0 biogenic,in-vitro GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035425183 560080248 /nfs/dbraw/zinc/08/02/48/560080248.db2.gz VAXFDNKOYKQCLN-KRWDZBQOSA-N 1 2 399.451 2.612 40 0 biogenic,in-vitro GFABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035425183 560080250 /nfs/dbraw/zinc/08/02/50/560080250.db2.gz VAXFDNKOYKQCLN-KRWDZBQOSA-N 1 2 399.451 2.612 40 0 biogenic,in-vitro GFABLO CCc1cnc(N2CCc3cc(C(=O)N(C)C)c(NCC(C)C)[nH+]c3CC2)nc1 ZINC000096260511 570225743 /nfs/dbraw/zinc/22/57/43/570225743.db2.gz UBXBSDQWHBJUFC-UHFFFAOYSA-N 1 2 396.539 2.809 40 0 GFABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000005345027 570253227 /nfs/dbraw/zinc/25/32/27/570253227.db2.gz QGOXTTHFVIUWDE-WCIQWLHISA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000005345027 570253228 /nfs/dbraw/zinc/25/32/28/570253228.db2.gz QGOXTTHFVIUWDE-WCIQWLHISA-N 1 2 392.430 2.969 40 0 GFABLO CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1 ZINC000020635639 570273432 /nfs/dbraw/zinc/27/34/32/570273432.db2.gz NHZDRNCLNCPNKO-OAHLLOKOSA-N 1 2 394.479 2.676 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000104346191 570301570 /nfs/dbraw/zinc/30/15/70/570301570.db2.gz YXWDVVGBDRWNGP-OAHLLOKOSA-N 1 2 398.381 2.612 40 0 GFABLO O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000224132767 570500175 /nfs/dbraw/zinc/50/01/75/570500175.db2.gz SFPQXXSMRQNVAS-UHFFFAOYSA-N 1 2 394.515 2.997 40 0 GFABLO COc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000030868611 570500336 /nfs/dbraw/zinc/50/03/36/570500336.db2.gz ITFHQYOSULEULZ-INIZCTEOSA-N 1 2 398.459 2.536 40 0 GFABLO O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225724281 570609157 /nfs/dbraw/zinc/60/91/57/570609157.db2.gz BFTGUKIVTKRSPM-UHFFFAOYSA-N 1 2 395.890 2.999 40 0 GFABLO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225791343 570617741 /nfs/dbraw/zinc/61/77/41/570617741.db2.gz XBFTXDRDEQKGFO-UHFFFAOYSA-N 1 2 382.464 2.595 40 0 GFABLO COc1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187192 570621381 /nfs/dbraw/zinc/62/13/81/570621381.db2.gz AJPDMBACEVKTNU-LJQANCHMSA-N 1 2 386.496 2.741 40 0 GFABLO COc1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187192 570621383 /nfs/dbraw/zinc/62/13/83/570621383.db2.gz AJPDMBACEVKTNU-LJQANCHMSA-N 1 2 386.496 2.741 40 0 GFABLO CSc1nnc(C2CC[NH+](CC(=O)Nc3ccc(C(C)=O)cc3)CC2)n1C ZINC000005001359 570651708 /nfs/dbraw/zinc/65/17/08/570651708.db2.gz WZFNSAQGFDWNNZ-UHFFFAOYSA-N 1 2 387.509 2.558 40 0 GFABLO CCN1CC[N@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257237642 570767478 /nfs/dbraw/zinc/76/74/78/570767478.db2.gz HHKUCXZNMSLVHB-FQEVSTJZSA-N 1 2 389.503 2.995 40 0 GFABLO CCN1CC[N@@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257237642 570767480 /nfs/dbraw/zinc/76/74/80/570767480.db2.gz HHKUCXZNMSLVHB-FQEVSTJZSA-N 1 2 389.503 2.995 40 0 GFABLO CO[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCO2 ZINC000257255204 570771009 /nfs/dbraw/zinc/77/10/09/570771009.db2.gz KGNMRQCPCINESF-YJBOKZPZSA-N 1 2 379.457 2.644 40 0 GFABLO CO[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCO2 ZINC000257255204 570771011 /nfs/dbraw/zinc/77/10/11/570771011.db2.gz KGNMRQCPCINESF-YJBOKZPZSA-N 1 2 379.457 2.644 40 0 GFABLO CN1c2ccccc2[C@]2(NC(=N)NC(N(c3ccccc3)c3ccccc3)=[NH+]2)C1=O ZINC000017081009 570919036 /nfs/dbraw/zinc/91/90/36/570919036.db2.gz PZDWJYKZVVGZAX-HSZRJFAPSA-N 1 2 396.454 2.928 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306131475 570939914 /nfs/dbraw/zinc/93/99/14/570939914.db2.gz KFRZZVZGJFVCEY-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306131475 570939915 /nfs/dbraw/zinc/93/99/15/570939915.db2.gz KFRZZVZGJFVCEY-PZJWPPBQSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccccc4F)C[C@H]2S3(=O)=O)cn1 ZINC000306140341 570944753 /nfs/dbraw/zinc/94/47/53/570944753.db2.gz UQPCRQREYGJSNH-GHTZIAJQSA-N 1 2 397.475 2.982 40 0 GFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccccc4F)C[C@H]2S3(=O)=O)cn1 ZINC000306140341 570944757 /nfs/dbraw/zinc/94/47/57/570944757.db2.gz UQPCRQREYGJSNH-GHTZIAJQSA-N 1 2 397.475 2.982 40 0 GFABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(N(C)C)cc2)CC3)ccn1 ZINC000585111131 570945159 /nfs/dbraw/zinc/94/51/59/570945159.db2.gz FSGKLXZVYNDCMP-UHFFFAOYSA-N 1 2 391.475 2.718 40 0 GFABLO O=C([C@H]1CCc2[nH]nc(-c3ccsc3)c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000306142350 570945791 /nfs/dbraw/zinc/94/57/91/570945791.db2.gz WWRZPYZLZNAOSA-HNNXBMFYSA-N 1 2 393.516 2.987 40 0 GFABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1cnn2cccnc12 ZINC000019451491 570985492 /nfs/dbraw/zinc/98/54/92/570985492.db2.gz XIJNOMZKGRTRGV-LJQANCHMSA-N 1 2 381.455 2.851 40 0 GFABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1cnn2cccnc12 ZINC000019451491 570985493 /nfs/dbraw/zinc/98/54/93/570985493.db2.gz XIJNOMZKGRTRGV-LJQANCHMSA-N 1 2 381.455 2.851 40 0 GFABLO C[C@H]1CCCN(c2ncc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cn2)C1 ZINC000019496642 570989930 /nfs/dbraw/zinc/98/99/30/570989930.db2.gz HRUKHVXYNJYJHI-FXAWDEMLSA-N 1 2 379.508 2.842 40 0 GFABLO C[C@H]1CCCN(c2ncc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cn2)C1 ZINC000019496642 570989932 /nfs/dbraw/zinc/98/99/32/570989932.db2.gz HRUKHVXYNJYJHI-FXAWDEMLSA-N 1 2 379.508 2.842 40 0 GFABLO CCn1cc(C[NH+]2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c(C)n1 ZINC000019524581 570996487 /nfs/dbraw/zinc/99/64/87/570996487.db2.gz VFINFNHCEFFFBZ-UHFFFAOYSA-N 1 2 383.540 2.893 40 0 GFABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000019553532 571002045 /nfs/dbraw/zinc/00/20/45/571002045.db2.gz VEPMDRGYQCOMDJ-SFHVURJKSA-N 1 2 389.496 2.936 40 0 GFABLO COc1ccc(C[N@H+](Cc2cnn(C)c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000019553532 571002046 /nfs/dbraw/zinc/00/20/46/571002046.db2.gz VEPMDRGYQCOMDJ-SFHVURJKSA-N 1 2 389.496 2.936 40 0 GFABLO C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000253399438 212136291 /nfs/dbraw/zinc/13/62/91/212136291.db2.gz JHNLYVPVRYXLGV-INIZCTEOSA-N 1 2 392.459 2.748 40 0 biogenic,in-vitro GFABLO CC(C)c1ncc2c(n1)C1(CCN(C(=O)CCCn3cc[nH+]c3)CC1)OCC2 ZINC000012087315 221149895 /nfs/dbraw/zinc/14/98/95/221149895.db2.gz LNEGZSVVHFIHSQ-UHFFFAOYSA-N 1 2 383.496 2.667 40 0 GFABLO Cc1cc(C)n2nc(C3=CC[N@H+](CC(=O)Nc4cccc(O)c4)CC3)cc2n1 ZINC000019116669 221396737 /nfs/dbraw/zinc/39/67/37/221396737.db2.gz QLMFZDAKWWRKSE-UHFFFAOYSA-N 1 2 377.448 2.780 40 0 GFABLO Cc1cc(C)n2nc(C3=CC[N@@H+](CC(=O)Nc4cccc(O)c4)CC3)cc2n1 ZINC000019116669 221396741 /nfs/dbraw/zinc/39/67/41/221396741.db2.gz QLMFZDAKWWRKSE-UHFFFAOYSA-N 1 2 377.448 2.780 40 0 GFABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCC[C@@H](O)C2)cc1)OCO3 ZINC000013563068 136201222 /nfs/dbraw/zinc/20/12/22/136201222.db2.gz QMNFPYLBGQXCQQ-GOSISDBHSA-N 1 2 393.443 2.830 40 0 GFABLO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4ccsc4)C3)OCC2=O)s1 ZINC000096051456 222374262 /nfs/dbraw/zinc/37/42/62/222374262.db2.gz ALGUVPDMJPTKAV-GOSISDBHSA-N 1 2 378.519 2.752 40 0 GFABLO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4ccsc4)C3)OCC2=O)s1 ZINC000096051456 222374268 /nfs/dbraw/zinc/37/42/68/222374268.db2.gz ALGUVPDMJPTKAV-GOSISDBHSA-N 1 2 378.519 2.752 40 0 GFABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)ccn1 ZINC000035424566 560081102 /nfs/dbraw/zinc/08/11/02/560081102.db2.gz GTZMWCJRWMCESO-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)ccn1 ZINC000035424566 560081103 /nfs/dbraw/zinc/08/11/03/560081103.db2.gz GTZMWCJRWMCESO-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO Cc1nc(N)c2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccccc4F)C3)nc2n1 ZINC000019743326 570212859 /nfs/dbraw/zinc/21/28/59/570212859.db2.gz MFTVHRQUAQZFDV-CQSZACIVSA-N 1 2 394.454 2.873 40 0 GFABLO Cc1nc(N)c2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccc4F)C3)nc2n1 ZINC000019743326 570212861 /nfs/dbraw/zinc/21/28/61/570212861.db2.gz MFTVHRQUAQZFDV-CQSZACIVSA-N 1 2 394.454 2.873 40 0 GFABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(F)cc3)C1=O)CC2 ZINC000096305306 570228367 /nfs/dbraw/zinc/22/83/67/570228367.db2.gz REHCHAJLVUNCSP-KRWDZBQOSA-N 1 2 384.407 2.533 40 0 GFABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(F)cc3)C1=O)CC2 ZINC000096305306 570228371 /nfs/dbraw/zinc/22/83/71/570228371.db2.gz REHCHAJLVUNCSP-KRWDZBQOSA-N 1 2 384.407 2.533 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)C1=Cc3ccccc3OC1)C[N@@H+](C)CC2 ZINC000026786586 570428888 /nfs/dbraw/zinc/42/88/88/570428888.db2.gz YTXCOJOOWQKTKO-UHFFFAOYSA-N 1 2 384.457 2.937 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)C1=Cc3ccccc3OC1)C[N@H+](C)CC2 ZINC000026786586 570428889 /nfs/dbraw/zinc/42/88/89/570428889.db2.gz YTXCOJOOWQKTKO-UHFFFAOYSA-N 1 2 384.457 2.937 40 0 GFABLO CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223205024 570449908 /nfs/dbraw/zinc/44/99/08/570449908.db2.gz VHHZEGVBKRZPDY-VQTJNVASSA-N 1 2 399.564 2.598 40 0 GFABLO CN(c1cccc(C(=O)NCCCn2cc[nH+]c2)c1)S(=O)(=O)c1ccccc1 ZINC000224255792 570506031 /nfs/dbraw/zinc/50/60/31/570506031.db2.gz ATOOTBORLNNPAU-UHFFFAOYSA-N 1 2 398.488 2.528 40 0 GFABLO COc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000001224818 570565605 /nfs/dbraw/zinc/56/56/05/570565605.db2.gz PDGGJPCSRICZTB-LJQANCHMSA-N 1 2 394.479 2.824 40 0 GFABLO Cc1ccc2c(c1)c(=O)ccn2CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225746353 570612602 /nfs/dbraw/zinc/61/26/02/570612602.db2.gz DWSPGRLCKDXMEU-UHFFFAOYSA-N 1 2 375.472 2.654 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)NCCNc2cccc[nH+]2)[C@@H]1c1cccc(OC)c1 ZINC000257220066 570762584 /nfs/dbraw/zinc/76/25/84/570762584.db2.gz DJJRGISEBNUWHW-NQIIRXRSSA-N 1 2 396.491 2.618 40 0 GFABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3ccc(C)nc3)CC2)n1C ZINC000257219574 570762647 /nfs/dbraw/zinc/76/26/47/570762647.db2.gz DHHIJLMPZVSUCH-UHFFFAOYSA-N 1 2 390.491 2.984 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000306129083 570938439 /nfs/dbraw/zinc/93/84/39/570938439.db2.gz HTYSEFLFGYCLCU-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000306129083 570938443 /nfs/dbraw/zinc/93/84/43/570938443.db2.gz HTYSEFLFGYCLCU-TZIWHRDSSA-N 1 2 377.469 2.899 40 0 GFABLO Cn1nccc1C(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306129401 570938876 /nfs/dbraw/zinc/93/88/76/570938876.db2.gz IBZUDSDBGIYAIQ-HXUWFJFHSA-N 1 2 398.470 2.848 40 0 GFABLO O=C(CCOc1ccc(F)cc1)N1CCc2[nH+]cc(-c3cccnc3)n2CC1 ZINC000585111409 570941549 /nfs/dbraw/zinc/94/15/49/570941549.db2.gz SOVFMHOUHOZPCV-UHFFFAOYSA-N 1 2 380.423 2.938 40 0 GFABLO Cn1ccnc1-c1nc(NCC[NH+]2CCOCC2)ncc1-c1cccc(Cl)c1 ZINC000019291677 570972389 /nfs/dbraw/zinc/97/23/89/570972389.db2.gz JCIMYZBZROUSCO-UHFFFAOYSA-N 1 2 398.898 2.942 40 0 GFABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC000019588954 571016353 /nfs/dbraw/zinc/01/63/53/571016353.db2.gz LROMGFURBLJGFW-SFHVURJKSA-N 1 2 394.475 2.603 40 0 GFABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1ccc3c(c1)OCCO3)C2 ZINC000019588954 571016355 /nfs/dbraw/zinc/01/63/55/571016355.db2.gz LROMGFURBLJGFW-SFHVURJKSA-N 1 2 394.475 2.603 40 0 GFABLO Cc1ccnc(-n2cccc2CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)c1 ZINC000012142846 221158636 /nfs/dbraw/zinc/15/86/36/221158636.db2.gz XZPOVIQCNKULBL-UHFFFAOYSA-N 1 2 389.507 2.711 40 0 GFABLO Cc1ccnc(-n2cccc2C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c1 ZINC000012142846 221158639 /nfs/dbraw/zinc/15/86/39/221158639.db2.gz XZPOVIQCNKULBL-UHFFFAOYSA-N 1 2 389.507 2.711 40 0 GFABLO Cc1ccnc(-n2cccc2C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c1 ZINC000012142846 221158643 /nfs/dbraw/zinc/15/86/43/221158643.db2.gz XZPOVIQCNKULBL-UHFFFAOYSA-N 1 2 389.507 2.711 40 0 GFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)[C@@H](C)C2)c1 ZINC000072324099 222225980 /nfs/dbraw/zinc/22/59/80/222225980.db2.gz OQKUJOUIZMQYRZ-KRWDZBQOSA-N 1 2 393.491 2.701 40 0 GFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cc4nc(C)cc(C)n4n3)[C@@H](C)C2)c1 ZINC000072324099 222225982 /nfs/dbraw/zinc/22/59/82/222225982.db2.gz OQKUJOUIZMQYRZ-KRWDZBQOSA-N 1 2 393.491 2.701 40 0 GFABLO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(C)s4)C(=O)CO3)C2)o1 ZINC000096051463 222375587 /nfs/dbraw/zinc/37/55/87/222375587.db2.gz OTYCLOQBBGWQPB-IBGZPJMESA-N 1 2 376.478 2.592 40 0 GFABLO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(C)s4)C(=O)CO3)C2)o1 ZINC000096051463 222375590 /nfs/dbraw/zinc/37/55/90/222375590.db2.gz OTYCLOQBBGWQPB-IBGZPJMESA-N 1 2 376.478 2.592 40 0 GFABLO Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(CNC(=O)c4ccsc4)nc3C2)o1 ZINC000096059650 222377596 /nfs/dbraw/zinc/37/75/96/222377596.db2.gz REUDJVWUXKJJFG-UHFFFAOYSA-N 1 2 398.488 2.542 40 0 GFABLO Cc1ccc(C[N@H+]2CCCn3c(=O)cc(CNC(=O)c4ccsc4)nc3C2)o1 ZINC000096059650 222377598 /nfs/dbraw/zinc/37/75/98/222377598.db2.gz REUDJVWUXKJJFG-UHFFFAOYSA-N 1 2 398.488 2.542 40 0 GFABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 ZINC000096112150 222381652 /nfs/dbraw/zinc/38/16/52/222381652.db2.gz QIELWXWKCXEVGB-AEFFLSMTSA-N 1 2 383.427 2.655 40 0 biogenic,in-vitro GFABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 ZINC000096112150 222381656 /nfs/dbraw/zinc/38/16/56/222381656.db2.gz QIELWXWKCXEVGB-AEFFLSMTSA-N 1 2 383.427 2.655 40 0 biogenic,in-vitro GFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 ZINC000019762895 570216691 /nfs/dbraw/zinc/21/66/91/570216691.db2.gz ZWJUNKSFUDOUEE-OAQYLSRUSA-N 1 2 393.491 2.727 40 0 GFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cn1 ZINC000019762895 570216697 /nfs/dbraw/zinc/21/66/97/570216697.db2.gz ZWJUNKSFUDOUEE-OAQYLSRUSA-N 1 2 393.491 2.727 40 0 GFABLO CC(C)CC(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251439 570224735 /nfs/dbraw/zinc/22/47/35/570224735.db2.gz GTMHSKUPSUQKCD-CVDCTZTESA-N 1 2 398.551 2.699 40 0 GFABLO CC(C)CNc1[nH+]c2c(cc1C(=O)NC(C)C)CCN(c1ccncn1)CC2 ZINC000096260529 570225763 /nfs/dbraw/zinc/22/57/63/570225763.db2.gz VSJVULFLIRPONV-UHFFFAOYSA-N 1 2 382.512 2.683 40 0 GFABLO CC(C)CNc1[nH+]c2c(cc1C(=O)N1CCCC1)CCN(c1ncccn1)CC2 ZINC000096260539 570225863 /nfs/dbraw/zinc/22/58/63/570225863.db2.gz COQAAIGFFJBICV-UHFFFAOYSA-N 1 2 394.523 2.781 40 0 GFABLO COC(=O)[C@@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000100421794 570272023 /nfs/dbraw/zinc/27/20/23/570272023.db2.gz UVNKWBCKIUPKEV-AYMMHLMVSA-N 1 2 396.418 2.516 40 0 GFABLO CCNc1nc(N2CC[NH+](CC)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020801839 570281648 /nfs/dbraw/zinc/28/16/48/570281648.db2.gz FLNJILPGVVMFNL-KRWDZBQOSA-N 1 2 379.508 2.963 40 0 GFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 ZINC000104346205 570301593 /nfs/dbraw/zinc/30/15/93/570301593.db2.gz YQYRLGZGFMXYQL-INIZCTEOSA-N 1 2 378.856 2.555 40 0 GFABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]23)cc1 ZINC000035380395 570365716 /nfs/dbraw/zinc/36/57/16/570365716.db2.gz WZYOORBBJIMWMJ-UAFMIMERSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]23)cc1 ZINC000035380395 570365717 /nfs/dbraw/zinc/36/57/17/570365717.db2.gz WZYOORBBJIMWMJ-UAFMIMERSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(OCC(=O)Nc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000026456146 570426000 /nfs/dbraw/zinc/42/60/00/570426000.db2.gz QZUCFEAGSBSCCN-UHFFFAOYSA-N 1 2 394.475 2.694 40 0 GFABLO COc1ccccc1Oc1ccc(NC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000223894432 570489326 /nfs/dbraw/zinc/48/93/26/570489326.db2.gz QFLMJODKIXYMOB-UHFFFAOYSA-N 1 2 388.493 2.501 40 0 GFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000035982190 570552740 /nfs/dbraw/zinc/55/27/40/570552740.db2.gz KVANZRNHIDIMQZ-UHFFFAOYSA-N 1 2 393.896 2.528 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000257237056 570767069 /nfs/dbraw/zinc/76/70/69/570767069.db2.gz HEYIOGVGLDXCLK-OAHLLOKOSA-N 1 2 381.484 2.917 40 0 GFABLO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257237056 570767071 /nfs/dbraw/zinc/76/70/71/570767071.db2.gz HEYIOGVGLDXCLK-OAHLLOKOSA-N 1 2 381.484 2.917 40 0 GFABLO COc1ccccc1NC(=O)C[NH+]1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257315087 570780316 /nfs/dbraw/zinc/78/03/16/570780316.db2.gz UZVZSPACBUYDKS-UHFFFAOYSA-N 1 2 393.487 2.797 40 0 GFABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257336124 570783451 /nfs/dbraw/zinc/78/34/51/570783451.db2.gz YNHQELMUSUZTFA-UNMCSNQZSA-N 1 2 384.476 2.846 40 0 GFABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257336124 570783453 /nfs/dbraw/zinc/78/34/53/570783453.db2.gz YNHQELMUSUZTFA-UNMCSNQZSA-N 1 2 384.476 2.846 40 0 GFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccn1C ZINC000261364823 570788722 /nfs/dbraw/zinc/78/87/22/570788722.db2.gz NYQUVJILDJAMKJ-GOSISDBHSA-O 1 2 382.469 2.501 40 0 GFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)n1 ZINC000585102790 570931074 /nfs/dbraw/zinc/93/10/74/570931074.db2.gz HUSLGIDTYIFMTC-MRXNPFEDSA-N 1 2 379.451 2.533 40 0 GFABLO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306136070 570942741 /nfs/dbraw/zinc/94/27/41/570942741.db2.gz PIINKIFYYWIQIF-NRFANRHFSA-N 1 2 385.475 2.675 40 0 GFABLO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306136070 570942744 /nfs/dbraw/zinc/94/27/44/570942744.db2.gz PIINKIFYYWIQIF-NRFANRHFSA-N 1 2 385.475 2.675 40 0 GFABLO CCn1cc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144849 570946943 /nfs/dbraw/zinc/94/69/43/570946943.db2.gz ZQEBKLBNAGDRKX-HXUWFJFHSA-N 1 2 393.539 2.640 40 0 GFABLO CCn1cc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306144849 570946948 /nfs/dbraw/zinc/94/69/48/570946948.db2.gz ZQEBKLBNAGDRKX-HXUWFJFHSA-N 1 2 393.539 2.640 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000019210553 570960572 /nfs/dbraw/zinc/96/05/72/570960572.db2.gz JWHVOBLPPCZCFU-KEXUJGGDSA-N 1 2 392.455 2.685 40 0 GFABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000019289023 570970965 /nfs/dbraw/zinc/97/09/65/570970965.db2.gz QBSUHGAIJJVMNI-UHFFFAOYSA-N 1 2 393.466 2.508 40 0 GFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1cccc(F)c1)CC3 ZINC000019550841 571000908 /nfs/dbraw/zinc/00/09/08/571000908.db2.gz DGGVKAWNMCOABP-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1cccc(F)c1)CC3 ZINC000019550841 571000911 /nfs/dbraw/zinc/00/09/11/571000911.db2.gz DGGVKAWNMCOABP-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO Cc1cc(=O)n(CC(=O)Nc2ccccc2C[NH+]2CCOCC2)c2ccccc12 ZINC000019566535 571008274 /nfs/dbraw/zinc/00/82/74/571008274.db2.gz MQFWYVCRYZJPLV-UHFFFAOYSA-N 1 2 391.471 2.781 40 0 GFABLO C[C@H]1CCc2nc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)sc2C1 ZINC000019658803 571025032 /nfs/dbraw/zinc/02/50/32/571025032.db2.gz FTEYKMIDDPDFBZ-ZDUSSCGKSA-N 1 2 387.509 2.540 40 0 GFABLO Cc1cc(Br)cc(C)c1N1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000016741201 212111706 /nfs/dbraw/zinc/11/17/06/212111706.db2.gz RSAOXPKCAIFZMO-MNOVXSKESA-N 1 2 375.313 2.720 40 0 GFABLO FC(F)(F)c1ccc(-c2nc(Cl)cc(NCC[NH+]3CCOCC3)n2)cc1 ZINC000329016831 212093496 /nfs/dbraw/zinc/09/34/96/212093496.db2.gz NIFKBCFRQDLBNW-UHFFFAOYSA-N 1 2 386.805 2.982 40 0 GFABLO Cc1cc(-c2cncnc2C2CC[NH+](CC(=O)Nc3cc(C)on3)CC2)on1 ZINC000012118314 221153692 /nfs/dbraw/zinc/15/36/92/221153692.db2.gz NFLKCHQTKPRIQN-UHFFFAOYSA-N 1 2 382.424 2.555 40 0 GFABLO CC(=O)N1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000012219435 221168831 /nfs/dbraw/zinc/16/88/31/221168831.db2.gz XJKMEGWBXDZXIX-UHFFFAOYSA-N 1 2 382.855 2.856 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019017121 221393807 /nfs/dbraw/zinc/39/38/07/221393807.db2.gz UXUFQUGUYHKEJD-SFHVURJKSA-N 1 2 380.492 2.769 40 0 GFABLO COc1ccc(C[N@H+]2CCc3nc([C@H]4CCCN(C(C)=O)C4)ncc3C2)cc1 ZINC000019017121 221393811 /nfs/dbraw/zinc/39/38/11/221393811.db2.gz UXUFQUGUYHKEJD-SFHVURJKSA-N 1 2 380.492 2.769 40 0 GFABLO C[C@H]1CN(c2nccc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)n2)C[C@H](C)O1 ZINC000072348158 136168961 /nfs/dbraw/zinc/16/89/61/136168961.db2.gz FFVWDYBAQAAGGR-ROUUACIJSA-N 1 2 399.514 2.547 40 0 GFABLO C[C@H]1CN(c2nccc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)n2)C[C@H](C)O1 ZINC000072348158 136168962 /nfs/dbraw/zinc/16/89/62/136168962.db2.gz FFVWDYBAQAAGGR-ROUUACIJSA-N 1 2 399.514 2.547 40 0 GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000035424906 560080497 /nfs/dbraw/zinc/08/04/97/560080497.db2.gz YARLLDNDNLXOCB-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000035424906 560080499 /nfs/dbraw/zinc/08/04/99/560080499.db2.gz YARLLDNDNLXOCB-KRWDZBQOSA-N 1 2 380.452 2.922 40 0 biogenic,in-vitro GFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000030879474 560090018 /nfs/dbraw/zinc/09/00/18/560090018.db2.gz YKEHPLZHUKLMTD-HOCLYGCPSA-N 1 2 382.399 2.838 40 0 biogenic,in-vitro GFABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000030879474 560090020 /nfs/dbraw/zinc/09/00/20/560090020.db2.gz YKEHPLZHUKLMTD-HOCLYGCPSA-N 1 2 382.399 2.838 40 0 biogenic,in-vitro GFABLO CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C)C1 ZINC000020464112 560092719 /nfs/dbraw/zinc/09/27/19/560092719.db2.gz AVGDIXLTTFRFKY-AAEUAGOBSA-N 1 2 399.373 2.700 40 0 biogenic,in-vitro GFABLO CCNC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C)C1 ZINC000020464112 560092721 /nfs/dbraw/zinc/09/27/21/560092721.db2.gz AVGDIXLTTFRFKY-AAEUAGOBSA-N 1 2 399.373 2.700 40 0 biogenic,in-vitro GFABLO COc1ccccc1CCCn1c[nH+]cc1-c1cnc(N2CCOCC2)nc1 ZINC000019719354 570210576 /nfs/dbraw/zinc/21/05/76/570210576.db2.gz XCLRHWFKWLJVDV-UHFFFAOYSA-N 1 2 379.464 2.818 40 0 GFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2C(=O)C=Cc2c[nH]c[nH+]2)n1 ZINC000585291906 570261224 /nfs/dbraw/zinc/26/12/24/570261224.db2.gz VLIQVDFLZYSOHZ-DKRLNXSXSA-N 1 2 390.451 2.809 40 0 GFABLO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2C(=O)C[C@@H](C)C3)cc1 ZINC000020801923 570281590 /nfs/dbraw/zinc/28/15/90/570281590.db2.gz VRRYIBXZDFXSLV-AWEZNQCLSA-N 1 2 381.480 2.746 40 0 GFABLO COC(=O)c1cn(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc12 ZINC000222571088 570415053 /nfs/dbraw/zinc/41/50/53/570415053.db2.gz APNWCOJGXSLXHW-UHFFFAOYSA-N 1 2 378.428 2.949 40 0 GFABLO CCNC(=[NH2+])Nc1nc2cn(-c3ccc(C)cc3)cc2c(N2CCOCC2)n1 ZINC000536554694 570465509 /nfs/dbraw/zinc/46/55/09/570465509.db2.gz AOOHRPTUHYDHTH-UHFFFAOYSA-N 1 2 379.468 2.522 40 0 GFABLO O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044853662 570636113 /nfs/dbraw/zinc/63/61/13/570636113.db2.gz XLLQIVITFMYMCX-UHFFFAOYSA-N 1 2 388.471 2.984 40 0 GFABLO O=C(CO[C@@H]1CCOC2(C[NH+](Cc3ccccc3Cl)C2)C1)N1CCCC1 ZINC000247727175 570715520 /nfs/dbraw/zinc/71/55/20/570715520.db2.gz DIEKMJWGCRDWHJ-QGZVFWFLSA-N 1 2 378.900 2.712 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1cc(OC)cc(OC)c1)C[N@@H+](C)CC2 ZINC000004223484 570726751 /nfs/dbraw/zinc/72/67/51/570726751.db2.gz OCWJYXCUSPWMSO-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO COC(=O)c1c2c(sc1NC(=O)c1cc(OC)cc(OC)c1)C[N@H+](C)CC2 ZINC000004223484 570726755 /nfs/dbraw/zinc/72/67/55/570726755.db2.gz OCWJYXCUSPWMSO-UHFFFAOYSA-N 1 2 390.461 2.792 40 0 GFABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000257263985 570772645 /nfs/dbraw/zinc/77/26/45/570772645.db2.gz LSJHUESPURKGDU-LPHOPBHVSA-N 1 2 391.468 2.504 40 0 GFABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000257263985 570772646 /nfs/dbraw/zinc/77/26/46/570772646.db2.gz LSJHUESPURKGDU-LPHOPBHVSA-N 1 2 391.468 2.504 40 0 GFABLO C[N@H+](CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1)Cc1ccccn1 ZINC000257271765 570773635 /nfs/dbraw/zinc/77/36/35/570773635.db2.gz MZSCDVWBOMAXKP-FYYLOGMGSA-N 1 2 395.503 2.743 40 0 GFABLO C[N@@H+](CC(=O)N1CCC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1)Cc1ccccn1 ZINC000257271765 570773636 /nfs/dbraw/zinc/77/36/36/570773636.db2.gz MZSCDVWBOMAXKP-FYYLOGMGSA-N 1 2 395.503 2.743 40 0 GFABLO COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1C[NH+]1CCOCC1 ZINC000257342480 570784582 /nfs/dbraw/zinc/78/45/82/570784582.db2.gz ZOVRUTGMXNUDDH-YVNJGZBMSA-N 1 2 388.508 2.662 40 0 GFABLO COC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000019210557 570924365 /nfs/dbraw/zinc/92/43/65/570924365.db2.gz JWHVOBLPPCZCFU-PABYOWBDSA-N 1 2 392.455 2.685 40 0 GFABLO Cc1ccc2[nH+]c(CN3C(=O)C[C@H]4[C@@H]3CCN4c3ncc4ccccc4n3)cn2c1 ZINC000585108971 570940628 /nfs/dbraw/zinc/94/06/28/570940628.db2.gz IXMJDOROXFOGNZ-PMACEKPBSA-N 1 2 398.470 2.966 40 0 GFABLO O=C(C[N@H+]1CCC[C@H](COc2ccccc2F)C1)N1CC(=O)Nc2ccccc21 ZINC000019658131 571024417 /nfs/dbraw/zinc/02/44/17/571024417.db2.gz PKNCOALSEYIMNW-INIZCTEOSA-N 1 2 397.450 2.902 40 0 GFABLO O=C(C[N@@H+]1CCC[C@H](COc2ccccc2F)C1)N1CC(=O)Nc2ccccc21 ZINC000019658131 571024420 /nfs/dbraw/zinc/02/44/20/571024420.db2.gz PKNCOALSEYIMNW-INIZCTEOSA-N 1 2 397.450 2.902 40 0 GFABLO CCC[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000009198384 221073341 /nfs/dbraw/zinc/07/33/41/221073341.db2.gz GWTLRUDVMXKAEJ-UHFFFAOYSA-N 1 2 379.917 2.771 40 0 GFABLO Cc1noc(C)c1-c1nc(NCCCn2cc[nH+]c2)ncc1-c1cnccn1 ZINC000012087420 221149395 /nfs/dbraw/zinc/14/93/95/221149395.db2.gz VYZDCIJYFZPANM-UHFFFAOYSA-N 1 2 376.424 2.904 40 0 GFABLO CCOC(=O)N1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)CC1 ZINC000012088121 221149415 /nfs/dbraw/zinc/14/94/15/221149415.db2.gz MACNUPIYNBBNPM-UHFFFAOYSA-N 1 2 393.447 2.577 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118380 221153213 /nfs/dbraw/zinc/15/32/13/221153213.db2.gz AGHXWOMRBSPUMU-HNNXBMFYSA-N 1 2 397.504 2.997 40 0 GFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012118380 221153216 /nfs/dbraw/zinc/15/32/16/221153216.db2.gz AGHXWOMRBSPUMU-HNNXBMFYSA-N 1 2 397.504 2.997 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1OC ZINC000012182638 221163020 /nfs/dbraw/zinc/16/30/20/221163020.db2.gz SFTBYQJCUYLOOX-HNNXBMFYSA-N 1 2 398.507 2.724 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1OC ZINC000012182638 221163022 /nfs/dbraw/zinc/16/30/22/221163022.db2.gz SFTBYQJCUYLOOX-HNNXBMFYSA-N 1 2 398.507 2.724 40 0 GFABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000014607690 221313375 /nfs/dbraw/zinc/31/33/75/221313375.db2.gz YJCPPMMTIAGXMW-UHFFFAOYSA-N 1 2 398.898 2.703 40 0 GFABLO Fc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)cc1 ZINC000096254136 136185897 /nfs/dbraw/zinc/18/58/97/136185897.db2.gz RKLWWNWIWDEMHW-UHFFFAOYSA-N 1 2 383.471 2.585 40 0 GFABLO Fc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)nc(NC4CC4)c3C2)cc1 ZINC000096254136 136185898 /nfs/dbraw/zinc/18/58/98/136185898.db2.gz RKLWWNWIWDEMHW-UHFFFAOYSA-N 1 2 383.471 2.585 40 0 GFABLO Fc1ccc(CN2CCc3[nH+]c(N4CCOCC4)nc(NC4CC4)c3C2)cc1 ZINC000096254136 136185899 /nfs/dbraw/zinc/18/58/99/136185899.db2.gz RKLWWNWIWDEMHW-UHFFFAOYSA-N 1 2 383.471 2.585 40 0 GFABLO CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3c2cc(Br)cc3C)[N@@H+]2CCC[C@H]12 ZINC000055243875 222018606 /nfs/dbraw/zinc/01/86/06/222018606.db2.gz BBMYCHCIBYQNEH-WPKBUWHJSA-N 1 2 393.281 2.952 40 0 GFABLO CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3c2cc(Br)cc3C)[N@H+]2CCC[C@H]12 ZINC000055243875 222018609 /nfs/dbraw/zinc/01/86/09/222018609.db2.gz BBMYCHCIBYQNEH-WPKBUWHJSA-N 1 2 393.281 2.952 40 0 GFABLO CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc(Br)cc32)[N@@H+]2CCC[C@H]12 ZINC000055243790 222019174 /nfs/dbraw/zinc/01/91/74/222019174.db2.gz OROIOIPZEJZPSI-FABXCBLPSA-N 1 2 379.254 2.644 40 0 GFABLO CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc(Br)cc32)[N@H+]2CCC[C@H]12 ZINC000055243790 222019178 /nfs/dbraw/zinc/01/91/78/222019178.db2.gz OROIOIPZEJZPSI-FABXCBLPSA-N 1 2 379.254 2.644 40 0 GFABLO Cc1cccc(Nc2ccc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)nc2)[nH+]1 ZINC000072353303 222238480 /nfs/dbraw/zinc/23/84/80/222238480.db2.gz TVZXFTORGUAAPJ-HNNXBMFYSA-N 1 2 375.498 2.514 40 0 GFABLO c1ccc2c(c1)nc1n2[C@H](c2cccnc2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000020638684 570273717 /nfs/dbraw/zinc/27/37/17/570273717.db2.gz SRBBADCUSHHTFB-HXUWFJFHSA-N 1 2 396.458 2.570 40 0 GFABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000035877100 570435273 /nfs/dbraw/zinc/43/52/73/570435273.db2.gz QGOXTTHFVIUWDE-WTGUMLROSA-N 1 2 392.430 2.969 40 0 GFABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000035877100 570435275 /nfs/dbraw/zinc/43/52/75/570435275.db2.gz QGOXTTHFVIUWDE-WTGUMLROSA-N 1 2 392.430 2.969 40 0 GFABLO COc1cccc2cc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c(=O)oc21 ZINC000035311282 570471495 /nfs/dbraw/zinc/47/14/95/570471495.db2.gz ZJXKJPJEGGTKDK-UHFFFAOYSA-N 1 2 394.427 2.886 40 0 GFABLO CCCCCCC(=O)CCCCCC/C=C/C[C@@H]1OC(=O)[C@@]([NH3+])(CO)[C@H]1O ZINC000033913342 570530205 /nfs/dbraw/zinc/53/02/05/570530205.db2.gz SWRBTIXRGZAKBN-ANSFIGKPSA-N 1 2 383.529 2.789 40 0 GFABLO O=C(NCc1ccccc1-n1ccnc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044932402 570643853 /nfs/dbraw/zinc/64/38/53/570643853.db2.gz YPGUSFUDOVVDGN-UHFFFAOYSA-N 1 2 376.460 2.635 40 0 GFABLO O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000245053425 570698808 /nfs/dbraw/zinc/69/88/08/570698808.db2.gz OTURHGSBSIFMOE-INIZCTEOSA-N 1 2 386.473 2.928 40 0 GFABLO Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@@H](COCC3CCOCC3)C2)s1 ZINC000247814516 570716210 /nfs/dbraw/zinc/71/62/10/570716210.db2.gz BTCYWEJITNZMEP-QGZVFWFLSA-N 1 2 375.494 2.893 40 0 GFABLO CCN1C(=O)CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000257230349 570765195 /nfs/dbraw/zinc/76/51/95/570765195.db2.gz GBWZMADWSIZTJB-KNQAVFIVSA-N 1 2 392.503 2.730 40 0 GFABLO Cn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 ZINC000306124930 570936384 /nfs/dbraw/zinc/93/63/84/570936384.db2.gz CCNFSACTTOBDFD-MJGOQNOKSA-N 1 2 385.514 2.904 40 0 GFABLO Cn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 ZINC000306124930 570936388 /nfs/dbraw/zinc/93/63/88/570936388.db2.gz CCNFSACTTOBDFD-MJGOQNOKSA-N 1 2 385.514 2.904 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306133493 570941012 /nfs/dbraw/zinc/94/10/12/570941012.db2.gz MNHBXLLTYBFMPY-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3ccncc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306133493 570941014 /nfs/dbraw/zinc/94/10/14/570941014.db2.gz MNHBXLLTYBFMPY-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306144813 570946826 /nfs/dbraw/zinc/94/68/26/570946826.db2.gz ZPDCSQJOTVBFEN-QFIPXVFZSA-N 1 2 399.502 2.983 40 0 GFABLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)n1 ZINC000306144813 570946828 /nfs/dbraw/zinc/94/68/28/570946828.db2.gz ZPDCSQJOTVBFEN-QFIPXVFZSA-N 1 2 399.502 2.983 40 0 GFABLO O=C(NCC[NH+]1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000019330734 570975170 /nfs/dbraw/zinc/97/51/70/570975170.db2.gz LLJBGUALZRSOFG-UHFFFAOYSA-N 1 2 394.397 2.906 40 0 GFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019462878 570988930 /nfs/dbraw/zinc/98/89/30/570988930.db2.gz UYEQSLYSJIMRQG-GOEBONIOSA-N 1 2 397.523 2.563 40 0 GFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)[C@@H]5C[C@@H]5C)CC4)[nH]n3c(=O)c2C1 ZINC000019462878 570988935 /nfs/dbraw/zinc/98/89/35/570988935.db2.gz UYEQSLYSJIMRQG-GOEBONIOSA-N 1 2 397.523 2.563 40 0 GFABLO CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C(C)C)CC4)C1 ZINC000019499808 570992051 /nfs/dbraw/zinc/99/20/51/570992051.db2.gz ROQVCIKIWWOHOQ-HZPDHXFCSA-N 1 2 399.539 2.954 40 0 GFABLO CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C(C)C)CC4)C1 ZINC000019499808 570992054 /nfs/dbraw/zinc/99/20/54/570992054.db2.gz ROQVCIKIWWOHOQ-HZPDHXFCSA-N 1 2 399.539 2.954 40 0 GFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccc(F)cc1)CC3 ZINC000019550835 571000791 /nfs/dbraw/zinc/00/07/91/571000791.db2.gz KHDYDSDCQKLYCY-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccc(F)cc1)CC3 ZINC000019550835 571000792 /nfs/dbraw/zinc/00/07/92/571000792.db2.gz KHDYDSDCQKLYCY-UHFFFAOYSA-N 1 2 383.423 2.611 40 0 GFABLO Cc1ccccc1OC1CC[NH+](CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000019664422 571027084 /nfs/dbraw/zinc/02/70/84/571027084.db2.gz QYLAFKYVKYPSNK-UHFFFAOYSA-N 1 2 379.460 2.824 40 0 GFABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019706189 571032303 /nfs/dbraw/zinc/03/23/03/571032303.db2.gz DPUOMOUSBJYABQ-IBGZPJMESA-N 1 2 392.507 2.544 40 0 GFABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019706189 571032304 /nfs/dbraw/zinc/03/23/04/571032304.db2.gz DPUOMOUSBJYABQ-IBGZPJMESA-N 1 2 392.507 2.544 40 0 GFABLO CC1=C(Sc2ccc(Br)cc2)[C@@H]([NH3+])Nc2nc(N)nc(N)c21 ZINC000001612726 212250341 /nfs/dbraw/zinc/25/03/41/212250341.db2.gz XXFVLMLYGFYDIP-LBPRGKRZSA-N 1 2 379.287 2.637 40 0 GFABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc(OC)c1 ZINC000328982395 212092304 /nfs/dbraw/zinc/09/23/04/212092304.db2.gz GZTATOMRSRWZHA-CQSZACIVSA-N 1 2 380.448 2.541 40 0 GFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1OC ZINC000012184735 221164416 /nfs/dbraw/zinc/16/44/16/221164416.db2.gz VUWCMFLTGMWNQJ-OAHLLOKOSA-N 1 2 398.507 2.582 40 0 GFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1OC ZINC000012184735 221164419 /nfs/dbraw/zinc/16/44/19/221164419.db2.gz VUWCMFLTGMWNQJ-OAHLLOKOSA-N 1 2 398.507 2.582 40 0 GFABLO CCn1cc(C[NH+]2CCN(C(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)CC2)cn1 ZINC000019524956 221421080 /nfs/dbraw/zinc/42/10/80/221421080.db2.gz ZHBGHHJIRCZTTE-CQSZACIVSA-N 1 2 392.935 2.665 40 0 GFABLO c1coc(-c2nc(N3CCN(c4cccc[nH+]4)CC3)ncc2-c2cnccn2)c1 ZINC000072338646 136168499 /nfs/dbraw/zinc/16/84/99/136168499.db2.gz XSYOHKPNXHPLLM-UHFFFAOYSA-N 1 2 385.431 2.915 40 0 GFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)c(F)c2)C3)C[C@H](C)O1 ZINC000072347272 136168674 /nfs/dbraw/zinc/16/86/74/136168674.db2.gz JSERPIVVJCDGFQ-STQMWFEESA-N 1 2 390.434 2.632 40 0 GFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)c(F)c2)C3)C[C@H](C)O1 ZINC000072347272 136168675 /nfs/dbraw/zinc/16/86/75/136168675.db2.gz JSERPIVVJCDGFQ-STQMWFEESA-N 1 2 390.434 2.632 40 0 GFABLO O=S(=O)(N[C@@H]1CCC12CC[NH+](Cc1nccs1)CC2)c1ccccc1 ZINC000096051622 222375692 /nfs/dbraw/zinc/37/56/92/222375692.db2.gz IXDDDDMRHWHBMA-MRXNPFEDSA-N 1 2 377.535 2.866 40 0 GFABLO CC(C)[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057719373 535169471 /nfs/dbraw/zinc/16/94/71/535169471.db2.gz CWJARBPJHZWNJA-LJQANCHMSA-N 1 2 384.459 2.973 40 0 GFABLO C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000225433651 560042873 /nfs/dbraw/zinc/04/28/73/560042873.db2.gz RYADOHPGIDQZAD-AWEZNQCLSA-N 1 2 396.422 2.891 40 0 biogenic,in-vitro GFABLO Cc1nc(N)nc(C)c1CCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019719216 570210604 /nfs/dbraw/zinc/21/06/04/570210604.db2.gz SQWCVKIIEHBEDV-UHFFFAOYSA-N 1 2 387.915 2.606 40 0 GFABLO CCNc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329019904 570213057 /nfs/dbraw/zinc/21/30/57/570213057.db2.gz NZDAESRCILTDJB-CQSZACIVSA-N 1 2 382.386 2.909 40 0 GFABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)NCc1cccnc1)CC2 ZINC000096254257 570225089 /nfs/dbraw/zinc/22/50/89/570225089.db2.gz WVKQJGAMZABCEP-UHFFFAOYSA-N 1 2 395.511 2.560 40 0 GFABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670325 570367750 /nfs/dbraw/zinc/36/77/50/570367750.db2.gz IHMHLQQTDROYTA-RTBURBONSA-N 1 2 388.491 2.655 40 0 GFABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)[nH]1 ZINC000223170560 570448264 /nfs/dbraw/zinc/44/82/64/570448264.db2.gz ZBGLRWBNVMTMBV-PMACEKPBSA-N 1 2 399.564 2.721 40 0 GFABLO CCN(c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000038753889 570581764 /nfs/dbraw/zinc/58/17/64/570581764.db2.gz NKROHBUAJMQGBP-UHFFFAOYSA-N 1 2 398.488 2.588 40 0 GFABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000225777832 570616330 /nfs/dbraw/zinc/61/63/30/570616330.db2.gz XMMLVCREGQMEEL-UHFFFAOYSA-N 1 2 385.489 2.734 40 0 GFABLO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)n1C ZINC000005001497 570651686 /nfs/dbraw/zinc/65/16/86/570651686.db2.gz KPRMKXZLYFOCRL-MRXNPFEDSA-N 1 2 385.537 2.844 40 0 GFABLO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)CCC4)C2)n1C ZINC000005001497 570651689 /nfs/dbraw/zinc/65/16/89/570651689.db2.gz KPRMKXZLYFOCRL-MRXNPFEDSA-N 1 2 385.537 2.844 40 0 GFABLO O=C1CCCN1C[C@@H]1Cn2nccc2C[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000247813218 570715969 /nfs/dbraw/zinc/71/59/69/570715969.db2.gz CDFKDGHGVQDQEO-OAHLLOKOSA-N 1 2 376.863 2.930 40 0 GFABLO O=C1CCCN1C[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000247813218 570715973 /nfs/dbraw/zinc/71/59/73/570715973.db2.gz CDFKDGHGVQDQEO-OAHLLOKOSA-N 1 2 376.863 2.930 40 0 GFABLO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@H+](Cc1ccccn1)CCO2 ZINC000257251224 570770058 /nfs/dbraw/zinc/77/00/58/570770058.db2.gz JPYFMSDMEAEMKE-QHCPKHFHSA-N 1 2 377.488 2.684 40 0 GFABLO O=C1N(CCc2ccccc2)CC=CC[C@]12C[N@@H+](Cc1ccccn1)CCO2 ZINC000257251224 570770061 /nfs/dbraw/zinc/77/00/61/570770061.db2.gz JPYFMSDMEAEMKE-QHCPKHFHSA-N 1 2 377.488 2.684 40 0 GFABLO CO[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@]12CCCO2 ZINC000257255201 570771023 /nfs/dbraw/zinc/77/10/23/570771023.db2.gz KGNMRQCPCINESF-CRAIPNDOSA-N 1 2 379.457 2.644 40 0 GFABLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@]12CCCO2 ZINC000257255201 570771024 /nfs/dbraw/zinc/77/10/24/570771024.db2.gz KGNMRQCPCINESF-CRAIPNDOSA-N 1 2 379.457 2.644 40 0 GFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3C[C@@H](OC)[C@@]4(CCCO4)C3)sc2c1 ZINC000257328585 570782502 /nfs/dbraw/zinc/78/25/02/570782502.db2.gz XGHVEMVBBOPEBZ-VQIMIIECSA-N 1 2 391.493 2.513 40 0 GFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3C[C@@H](OC)[C@@]4(CCCO4)C3)sc2c1 ZINC000257328585 570782505 /nfs/dbraw/zinc/78/25/05/570782505.db2.gz XGHVEMVBBOPEBZ-VQIMIIECSA-N 1 2 391.493 2.513 40 0 GFABLO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000014400711 570891832 /nfs/dbraw/zinc/89/18/32/570891832.db2.gz RBRGEHCBEDDSDD-UHFFFAOYSA-N 1 2 382.460 2.755 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000306123934 570935789 /nfs/dbraw/zinc/93/57/89/570935789.db2.gz BAYCPEKGZUAETR-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000306123934 570935792 /nfs/dbraw/zinc/93/57/92/570935792.db2.gz BAYCPEKGZUAETR-CTNGQTDRSA-N 1 2 377.469 2.899 40 0 GFABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306129137 570938800 /nfs/dbraw/zinc/93/88/00/570938800.db2.gz HVNLOMVIKGVFGF-PZJWPPBQSA-N 1 2 394.500 2.720 40 0 GFABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306129137 570938806 /nfs/dbraw/zinc/93/88/06/570938806.db2.gz HVNLOMVIKGVFGF-PZJWPPBQSA-N 1 2 394.500 2.720 40 0 GFABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)c2sc(C)nc2C)CC3)ccn1 ZINC000585111250 570945561 /nfs/dbraw/zinc/94/55/61/570945561.db2.gz LDOFBCZHPYIHTF-UHFFFAOYSA-N 1 2 383.477 2.726 40 0 GFABLO Cc1nn(CCC(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019557119 571003870 /nfs/dbraw/zinc/00/38/70/571003870.db2.gz JGDWZEDABZXGDG-FQEVSTJZSA-N 1 2 396.539 2.730 40 0 GFABLO Cc1nn(CCC(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019557119 571003872 /nfs/dbraw/zinc/00/38/72/571003872.db2.gz JGDWZEDABZXGDG-FQEVSTJZSA-N 1 2 396.539 2.730 40 0 GFABLO