smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002212344 132249666 /nfs/dbraw/zinc/24/96/66/132249666.db2.gz NSPWPTIBAVZHHZ-UHFFFAOYSA-N 1 2 417.922 2.836 50 0 HFAALO O=C(NCCn1cc[nH+]c1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012301747 132358191 /nfs/dbraw/zinc/35/81/91/132358191.db2.gz JRNAPHFJFOKYPK-LJQANCHMSA-N 1 2 416.529 2.862 50 0 HFAALO C[N@H+](CC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)Cc1cccnc1 ZINC000012431098 132359750 /nfs/dbraw/zinc/35/97/50/132359750.db2.gz VSVVDHMAPCAWJT-QGZVFWFLSA-N 1 2 407.440 2.712 50 0 HFAALO C[N@@H+](CC(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)Cc1cccnc1 ZINC000012431098 132359752 /nfs/dbraw/zinc/35/97/52/132359752.db2.gz VSVVDHMAPCAWJT-QGZVFWFLSA-N 1 2 407.440 2.712 50 0 HFAALO COC(=O)c1ccc(/C=C/C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000032901498 521933754 /nfs/dbraw/zinc/93/37/54/521933754.db2.gz RRRAWGFVFRHAGC-FMIVXFBMSA-N 1 2 421.497 2.706 50 0 HFAALO CCc1nn2c(ncc3c2ccn(CC[NH+]2CCOCC2)c3=O)c1-c1ccc(F)cc1 ZINC000040396872 522712224 /nfs/dbraw/zinc/71/22/24/522712224.db2.gz NNIHHERKSOXXJE-UHFFFAOYSA-N 1 2 421.476 2.745 50 0 HFAALO COc1cc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]c2cc1OC ZINC000020567574 523056710 /nfs/dbraw/zinc/05/67/10/523056710.db2.gz MQUPRWTUGGDUOE-UHFFFAOYSA-N 1 2 423.469 2.872 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000023805251 525756227 /nfs/dbraw/zinc/75/62/27/525756227.db2.gz VFYUJGKUKSSNTR-JOCHJYFZSA-N 1 2 407.514 2.925 50 0 HFAALO CSc1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)n1 ZINC000032930491 526221149 /nfs/dbraw/zinc/22/11/49/526221149.db2.gz ZNFQBHTYDQUPMQ-VXGBXAGGSA-N 1 2 407.927 2.791 50 0 HFAALO CSc1nccn1-c1cccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c1 ZINC000044486860 526223936 /nfs/dbraw/zinc/22/39/36/526223936.db2.gz RAGGPYDORPIEHF-UHFFFAOYSA-N 1 2 409.515 2.756 50 0 HFAALO Cc1noc(C)c1CSc1ncccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032719594 526530121 /nfs/dbraw/zinc/53/01/21/526530121.db2.gz PECLSUKJZKUVKH-KRWDZBQOSA-N 1 2 416.547 2.916 50 0 HFAALO O=C(NCc1ccc(N2CCCC2=O)cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802188 526682561 /nfs/dbraw/zinc/68/25/61/526682561.db2.gz HSAGDGROGLULPU-JOCHJYFZSA-N 1 2 422.529 2.686 50 0 HFAALO CCN1c2ccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c3cccc(c23)C1=O ZINC000034889498 557479767 /nfs/dbraw/zinc/47/97/67/557479767.db2.gz KJMHJURRNNBHJE-UHFFFAOYSA-N 1 2 422.510 2.726 50 0 HFAALO O=C(C[NH+]1CCN(Cc2ccc(Br)cc2)CC1)NCc1ccccc1 ZINC000022800959 557824492 /nfs/dbraw/zinc/82/44/92/557824492.db2.gz WZTBDOIYXLYEFI-UHFFFAOYSA-N 1 2 402.336 2.883 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(CC)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022853775 557840479 /nfs/dbraw/zinc/84/04/79/557840479.db2.gz WSOMSJGGRZYKIA-QGZVFWFLSA-N 1 2 413.547 2.908 50 0 HFAALO CCc1ccc(Cl)c(CC)c1NC(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022844597 557841011 /nfs/dbraw/zinc/84/10/11/557841011.db2.gz KYSMZMZKHWMFOF-UHFFFAOYSA-N 1 2 420.985 2.643 50 0 HFAALO CCn1ccnc1C[NH+]1CCC(Oc2ccc(C(=O)NCCOC)cc2Cl)CC1 ZINC000011819226 558282462 /nfs/dbraw/zinc/28/24/62/558282462.db2.gz VOFPRBJHOHHQDY-UHFFFAOYSA-N 1 2 420.941 2.976 50 0 HFAALO COCc1c(C(=O)N2CC[NH+](C)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000019882913 558301481 /nfs/dbraw/zinc/30/14/81/558301481.db2.gz SVNWGKJJVFEKFN-UHFFFAOYSA-N 1 2 417.937 2.587 50 0 HFAALO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCOCC2)cc1 ZINC000019897893 558304218 /nfs/dbraw/zinc/30/42/18/558304218.db2.gz SPDLGISZCUXJRV-HXUWFJFHSA-N 1 2 408.454 2.605 50 0 HFAALO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000020029131 558323546 /nfs/dbraw/zinc/32/35/46/558323546.db2.gz FGVQFXYMVIQAAD-GOSISDBHSA-N 1 2 403.910 2.860 50 0 HFAALO COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CC[N@@H+](C/C=C/c1ccco1)CC2 ZINC000012202518 558351751 /nfs/dbraw/zinc/35/17/51/558351751.db2.gz XWRBVUWNHDUZCN-GQCTYLIASA-N 1 2 413.518 2.797 50 0 HFAALO COc1cc(=O)n2c(c1C(=O)NCCC(C)C)CC[N@H+](C/C=C/c1ccco1)CC2 ZINC000012202518 558351756 /nfs/dbraw/zinc/35/17/56/558351756.db2.gz XWRBVUWNHDUZCN-GQCTYLIASA-N 1 2 413.518 2.797 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1C ZINC000020363694 558358426 /nfs/dbraw/zinc/35/84/26/558358426.db2.gz MLIDYSFHDCCXGU-NRFANRHFSA-N 1 2 412.530 2.844 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1C ZINC000020363694 558358428 /nfs/dbraw/zinc/35/84/28/558358428.db2.gz MLIDYSFHDCCXGU-NRFANRHFSA-N 1 2 412.530 2.844 50 0 HFAALO O[C@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 ZINC000020421636 558362221 /nfs/dbraw/zinc/36/22/21/558362221.db2.gz IELBVTHKITZNKK-FQEVSTJZSA-N 1 2 424.419 2.949 50 0 HFAALO O[C@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 ZINC000020421636 558362223 /nfs/dbraw/zinc/36/22/23/558362223.db2.gz IELBVTHKITZNKK-FQEVSTJZSA-N 1 2 424.419 2.949 50 0 HFAALO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2cccc(F)c2F)CC3)c(C)o1 ZINC000020452636 558366821 /nfs/dbraw/zinc/36/68/21/558366821.db2.gz ZCQMYLZPIBWVSL-UHFFFAOYSA-N 1 2 415.444 2.754 50 0 HFAALO Cc1cc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(F)c2F)CC3)c(C)o1 ZINC000020452636 558366823 /nfs/dbraw/zinc/36/68/23/558366823.db2.gz ZCQMYLZPIBWVSL-UHFFFAOYSA-N 1 2 415.444 2.754 50 0 HFAALO COCCCNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020519313 558383393 /nfs/dbraw/zinc/38/33/93/558383393.db2.gz OCAFLVJKBLNBPA-UHFFFAOYSA-N 1 2 409.519 2.741 50 0 HFAALO COCCCNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020519313 558383396 /nfs/dbraw/zinc/38/33/96/558383396.db2.gz OCAFLVJKBLNBPA-UHFFFAOYSA-N 1 2 409.519 2.741 50 0 HFAALO CC[NH+]1CCN(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1 ZINC000020622154 558394049 /nfs/dbraw/zinc/39/40/49/558394049.db2.gz ZCSUENHGHCJOMZ-UHFFFAOYSA-N 1 2 408.454 2.709 50 0 biogenic HFAALO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000020667300 558398110 /nfs/dbraw/zinc/39/81/10/558398110.db2.gz KWMIGTITJYSGPM-UHFFFAOYSA-N 1 2 404.536 2.818 50 0 HFAALO O=C([C@H]1CCC(=O)N(CCCc2ccccc2)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000012434325 558408189 /nfs/dbraw/zinc/40/81/89/558408189.db2.gz PUPFCJDPQRLUER-QFIPXVFZSA-N 1 2 408.546 2.993 50 0 HFAALO O=C(Cn1nnnc1C[NH+]1CCCC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012454208 558416653 /nfs/dbraw/zinc/41/66/53/558416653.db2.gz NJPRXDKWCBOYIM-OAQYLSRUSA-N 1 2 410.909 2.828 50 0 HFAALO O=C(Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccco1 ZINC000021521407 558440095 /nfs/dbraw/zinc/44/00/95/558440095.db2.gz DXGYXKKYHQKCNR-UHFFFAOYSA-N 1 2 406.442 2.694 50 0 HFAALO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000021847544 558452158 /nfs/dbraw/zinc/45/21/58/558452158.db2.gz GBCIJKJMIQSGAX-MRXNPFEDSA-N 1 2 409.486 2.763 50 0 HFAALO COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3CC[NH+]3CCOCC3)n2)cc1 ZINC000012713781 558454175 /nfs/dbraw/zinc/45/41/75/558454175.db2.gz SDEWYLQFUJWZEI-LJQANCHMSA-N 1 2 414.506 2.600 50 0 HFAALO C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000012943936 558487723 /nfs/dbraw/zinc/48/77/23/558487723.db2.gz GPYNDMMXSRNUIP-APWZRJJASA-N 1 2 411.502 2.908 50 0 HFAALO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000013041090 558507230 /nfs/dbraw/zinc/50/72/30/558507230.db2.gz ZBUUQIMZHNSCKX-FQEVSTJZSA-N 1 2 408.546 2.877 50 0 HFAALO Cc1cnc(SCC[NH+]2CCOCC2)nc1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000023128433 558536259 /nfs/dbraw/zinc/53/62/59/558536259.db2.gz YWSXXBAFJPOCAQ-QGZVFWFLSA-N 1 2 416.547 2.822 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000023762507 558574771 /nfs/dbraw/zinc/57/47/71/558574771.db2.gz BIMVIGQGHXROLT-UHFFFAOYSA-N 1 2 418.877 2.914 50 0 HFAALO O=C(Cc1cccc2ccccc21)NCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023846748 558577674 /nfs/dbraw/zinc/57/76/74/558577674.db2.gz MEEYIDWTMMDZQF-UHFFFAOYSA-N 1 2 407.539 2.904 50 0 HFAALO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023873045 558578915 /nfs/dbraw/zinc/57/89/15/558578915.db2.gz IYSSVHYBBZEVLF-UHFFFAOYSA-N 1 2 424.476 2.957 50 0 HFAALO CCc1[nH+]c2ccccc2n1CC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000023873318 558579361 /nfs/dbraw/zinc/57/93/61/558579361.db2.gz PFUSMSLPLLVYLW-QFIPXVFZSA-N 1 2 422.529 2.797 50 0 HFAALO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014112869 558620988 /nfs/dbraw/zinc/62/09/88/558620988.db2.gz KTUGCGNYJFQZDQ-LJQANCHMSA-N 1 2 401.532 2.973 50 0 HFAALO Cc1ccc(CCC2CC[NH+](Cn3nc(CCC(N)=O)n(C)c3=S)CC2)cc1 ZINC000014200301 558636158 /nfs/dbraw/zinc/63/61/58/558636158.db2.gz ILCBKOWLFLCQLT-UHFFFAOYSA-N 1 2 401.580 2.980 50 0 HFAALO COc1ccc(CN(C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000026866658 558665953 /nfs/dbraw/zinc/66/59/53/558665953.db2.gz IGXZTCXVXSCCKH-UHFFFAOYSA-N 1 2 401.482 2.737 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000027155867 558670297 /nfs/dbraw/zinc/67/02/97/558670297.db2.gz CBJVJTSZLGJHCS-LJQANCHMSA-N 1 2 411.893 2.779 50 0 HFAALO O=C(c1nc[nH]n1)N1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000015079671 558718435 /nfs/dbraw/zinc/71/84/35/558718435.db2.gz ICQOJOIRHRGDQF-UHFFFAOYSA-N 1 2 413.485 2.820 50 0 HFAALO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000072308873 558771564 /nfs/dbraw/zinc/77/15/64/558771564.db2.gz HWBLKRDGCFNDER-LBPRGKRZSA-N 1 2 411.428 2.698 50 0 HFAALO CC(=O)c1ccccc1OCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016427202 558790738 /nfs/dbraw/zinc/79/07/38/558790738.db2.gz JTBTTWMDZSIWSV-UHFFFAOYSA-N 1 2 416.543 2.973 50 0 HFAALO CC(=O)c1ccccc1OCC[N@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000016427202 558790741 /nfs/dbraw/zinc/79/07/41/558790741.db2.gz JTBTTWMDZSIWSV-UHFFFAOYSA-N 1 2 416.543 2.973 50 0 HFAALO O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530940 558812377 /nfs/dbraw/zinc/81/23/77/558812377.db2.gz GGBQEDFMBMTAPX-UHFFFAOYSA-N 1 2 421.954 2.631 50 0 HFAALO O=S(=O)(c1cccc(Cl)c1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530940 558812378 /nfs/dbraw/zinc/81/23/78/558812378.db2.gz GGBQEDFMBMTAPX-UHFFFAOYSA-N 1 2 421.954 2.631 50 0 HFAALO Cc1cc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c(C)n1Cc1ccccn1 ZINC000033017541 558834543 /nfs/dbraw/zinc/83/45/43/558834543.db2.gz AVKGJLFBHUEGCY-UHFFFAOYSA-N 1 2 405.502 2.710 50 0 HFAALO C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(C[N@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034044 558857926 /nfs/dbraw/zinc/85/79/26/558857926.db2.gz MUNVOJGGQFOYCK-PBHICJAKSA-N 1 2 407.898 2.978 50 0 HFAALO C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(C[N@@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034044 558857929 /nfs/dbraw/zinc/85/79/29/558857929.db2.gz MUNVOJGGQFOYCK-PBHICJAKSA-N 1 2 407.898 2.978 50 0 HFAALO O=S(=O)(c1ccc2c(c1)-c1oncc1CO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033171235 558899945 /nfs/dbraw/zinc/89/99/45/558899945.db2.gz GZFVIALMOZCPMQ-UHFFFAOYSA-N 1 2 411.483 2.741 50 0 HFAALO CCOc1ccccc1N1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1 ZINC000058173564 558908765 /nfs/dbraw/zinc/90/87/65/558908765.db2.gz FJZDFYKTDJMQKJ-SFHVURJKSA-N 1 2 422.529 2.971 50 0 HFAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)ncn2)c1C ZINC000072117248 558927230 /nfs/dbraw/zinc/92/72/30/558927230.db2.gz VYYMHTXVVDUASU-UHFFFAOYSA-N 1 2 413.432 2.911 50 0 HFAALO CCOc1ccc(C[NH+]2CCN(C(=O)/C=C/c3ccc(C(=O)NC)cc3)CC2)cc1 ZINC000036392318 558936173 /nfs/dbraw/zinc/93/61/73/558936173.db2.gz ZUUGXEPQSWWWAT-MDWZMJQESA-N 1 2 407.514 2.803 50 0 HFAALO O=C(NCc1cccs1)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000064007114 558961616 /nfs/dbraw/zinc/96/16/16/558961616.db2.gz MAAMEBMNKJKOLB-WBVHZDCISA-N 1 2 402.911 2.520 50 0 HFAALO O=C(NCc1cccs1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000064007114 558961618 /nfs/dbraw/zinc/96/16/18/558961618.db2.gz MAAMEBMNKJKOLB-WBVHZDCISA-N 1 2 402.911 2.520 50 0 HFAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)CCCc4ccccc4)CC3)ncn2)c1C ZINC000072437277 558980822 /nfs/dbraw/zinc/98/08/22/558980822.db2.gz WKMRTJBYYGBQBX-UHFFFAOYSA-N 1 2 404.518 2.951 50 0 HFAALO COC(=O)C1CC[NH+]([C@@H](c2ccc(F)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023157472 559022461 /nfs/dbraw/zinc/02/24/61/559022461.db2.gz GCLMOVWQPBJKIN-HNNXBMFYSA-N 1 2 404.467 2.918 50 0 HFAALO C[C@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1(Br)Br ZINC000102303408 559149767 /nfs/dbraw/zinc/14/97/67/559149767.db2.gz AZSHLBCWOHZSPB-CYBMUJFWSA-N 1 2 403.118 2.626 50 0 HFAALO C[C@@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000014351444 559164549 /nfs/dbraw/zinc/16/45/49/559164549.db2.gz YRUXVUNKLQRSAB-BETUJISGSA-N 1 2 401.467 2.683 50 0 HFAALO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)CC1 ZINC000023329526 559167373 /nfs/dbraw/zinc/16/73/73/559167373.db2.gz PGDXEDUJYXCQBU-CQSZACIVSA-N 1 2 405.593 2.910 50 0 HFAALO NC(=O)NC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023377784 559173518 /nfs/dbraw/zinc/17/35/18/559173518.db2.gz WQIQCLUUTJDIKN-GOSISDBHSA-N 1 2 420.435 2.759 50 0 HFAALO COc1cccc([C@@H](NC(=O)C[C@H](NC(C)=O)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000024017622 559187514 /nfs/dbraw/zinc/18/75/14/559187514.db2.gz LEKHPZIBOJDUHD-RBBKRZOGSA-N 1 2 406.486 2.902 50 0 HFAALO COc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 ZINC000011695774 559188981 /nfs/dbraw/zinc/18/89/81/559188981.db2.gz HECFILREDIEGOJ-UHFFFAOYSA-N 1 2 409.465 2.781 50 0 HFAALO O=C(Nc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1)c1ccco1 ZINC000408521028 559215156 /nfs/dbraw/zinc/21/51/56/559215156.db2.gz FWLRECJLERBTPE-UHFFFAOYSA-N 1 2 400.460 2.823 50 0 HFAALO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=[NH+]N3Cc1ccccc1Cl ZINC000005148141 559253029 /nfs/dbraw/zinc/25/30/29/559253029.db2.gz YCZJZPIDEFXIEZ-UHFFFAOYSA-N 1 2 414.897 2.509 50 0 HFAALO C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011718601 559254950 /nfs/dbraw/zinc/25/49/50/559254950.db2.gz PFQKXJIJXCTALF-CYBMUJFWSA-N 1 2 411.524 2.657 50 0 HFAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)c(C)c1C ZINC000011879281 559265060 /nfs/dbraw/zinc/26/50/60/559265060.db2.gz XGTFKXMHGUSGQU-QFIPXVFZSA-N 1 2 423.557 2.704 50 0 HFAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)CCc2ccccc2)c(C)c1C ZINC000011879281 559265061 /nfs/dbraw/zinc/26/50/61/559265061.db2.gz XGTFKXMHGUSGQU-QFIPXVFZSA-N 1 2 423.557 2.704 50 0 HFAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(=O)COC)CC2)c1Cc1ccc(F)cc1 ZINC000104470987 560851392 /nfs/dbraw/zinc/85/13/92/560851392.db2.gz XHLXFDCVXYDJPD-UHFFFAOYSA-N 1 2 412.509 2.941 50 0 HFAALO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106920787 560894465 /nfs/dbraw/zinc/89/44/65/560894465.db2.gz AWKOLUIXYGKGNI-ICSRJNTNSA-N 1 2 408.564 2.881 50 0 HFAALO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106920787 560894467 /nfs/dbraw/zinc/89/44/67/560894467.db2.gz AWKOLUIXYGKGNI-ICSRJNTNSA-N 1 2 408.564 2.881 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000106920953 560894490 /nfs/dbraw/zinc/89/44/90/560894490.db2.gz FXFKYGRNLVCPAX-UXHICEINSA-N 1 2 416.518 2.533 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000106920953 560894491 /nfs/dbraw/zinc/89/44/91/560894491.db2.gz FXFKYGRNLVCPAX-UXHICEINSA-N 1 2 416.518 2.533 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907332 568415740 /nfs/dbraw/zinc/41/57/40/568415740.db2.gz UNTNJARUOYQRPO-LJQANCHMSA-N 1 2 409.511 2.873 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907332 568415741 /nfs/dbraw/zinc/41/57/41/568415741.db2.gz UNTNJARUOYQRPO-LJQANCHMSA-N 1 2 409.511 2.873 50 0 HFAALO COc1cccc(OC)c1OC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048309910 568436565 /nfs/dbraw/zinc/43/65/65/568436565.db2.gz SZEXGZFHTHFVOJ-UHFFFAOYSA-N 1 2 401.488 2.817 50 0 HFAALO COCCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000049093444 568446997 /nfs/dbraw/zinc/44/69/97/568446997.db2.gz XOHUPZDSRGQDQQ-OAQYLSRUSA-N 1 2 404.532 2.866 50 0 HFAALO COCCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000049093444 568446998 /nfs/dbraw/zinc/44/69/98/568446998.db2.gz XOHUPZDSRGQDQQ-OAQYLSRUSA-N 1 2 404.532 2.866 50 0 HFAALO CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3cn4ccccc4[nH+]3)cc2)c1C ZINC000024824238 568467589 /nfs/dbraw/zinc/46/75/89/568467589.db2.gz VUCOFVAGGINMQW-UHFFFAOYSA-N 1 2 403.442 2.935 50 0 HFAALO O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000032999974 568510703 /nfs/dbraw/zinc/51/07/03/568510703.db2.gz IWRKCYMSBXNSOA-KRWDZBQOSA-N 1 2 421.950 2.711 50 0 HFAALO COc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c(OC)c1OC ZINC000095432571 568609376 /nfs/dbraw/zinc/60/93/76/568609376.db2.gz RQVLCSFQWDZRCW-OAHLLOKOSA-N 1 2 402.455 2.758 50 0 HFAALO COc1ccccc1CCNC(=O)C(C)(C)[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095960423 568669798 /nfs/dbraw/zinc/66/97/98/568669798.db2.gz YEBOVXJIIPNWES-UHFFFAOYSA-N 1 2 405.539 2.685 50 0 HFAALO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000021155613 568673649 /nfs/dbraw/zinc/67/36/49/568673649.db2.gz VNFDNRQWXHXFIX-OAQYLSRUSA-N 1 2 422.554 2.619 50 0 HFAALO Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000021155613 568673652 /nfs/dbraw/zinc/67/36/52/568673652.db2.gz VNFDNRQWXHXFIX-OAQYLSRUSA-N 1 2 422.554 2.619 50 0 HFAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)O[C@]4(CCc5ccccc54)C3=O)c2cc1C ZINC000225835589 568679287 /nfs/dbraw/zinc/67/92/87/568679287.db2.gz AVKXJJPNFZBAAI-HXOBKFHXSA-N 1 2 405.454 2.835 50 0 HFAALO COc1ccc(CN2C[C@@H](C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)CC2=O)cc1OC ZINC000096223281 568706043 /nfs/dbraw/zinc/70/60/43/568706043.db2.gz RKVAXWFISGXVPA-HNNXBMFYSA-N 1 2 408.458 2.876 50 0 HFAALO COc1ccc(CNC(=O)c2sc(=S)n(CCC[NH+]3CCOCC3)c2N)cc1 ZINC000096346619 568737871 /nfs/dbraw/zinc/73/78/71/568737871.db2.gz MRACWCNJHIIKCG-UHFFFAOYSA-N 1 2 422.576 2.522 50 0 HFAALO C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021847893 568754722 /nfs/dbraw/zinc/75/47/22/568754722.db2.gz FFSSUERFFASBSG-CYBMUJFWSA-N 1 2 421.419 2.977 50 0 HFAALO O=C(c1ccco1)N1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000025514289 568773697 /nfs/dbraw/zinc/77/36/97/568773697.db2.gz XLRJCIGMBXSDJN-GOSISDBHSA-N 1 2 401.894 2.882 50 0 HFAALO CCCCCNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945167 568821313 /nfs/dbraw/zinc/82/13/13/568821313.db2.gz KLNJBNRNCDAUQO-HXUWFJFHSA-N 1 2 412.534 2.566 50 0 HFAALO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000012548014 568851122 /nfs/dbraw/zinc/85/11/22/568851122.db2.gz UCXOCBINRMRJAP-SFHVURJKSA-N 1 2 402.451 2.802 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000012559904 568857367 /nfs/dbraw/zinc/85/73/67/568857367.db2.gz HPNPPKZLZXAKNR-GOSISDBHSA-N 1 2 400.841 2.848 50 0 HFAALO COc1cc(OC)cc([C@@H](NC(=O)COc2ccc(C(C)=O)cc2)c2[nH+]ccn2C)c1 ZINC000012578655 568863301 /nfs/dbraw/zinc/86/33/01/568863301.db2.gz JHNOJIGEMZMVOW-JOCHJYFZSA-N 1 2 423.469 2.925 50 0 HFAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783365 568875056 /nfs/dbraw/zinc/87/50/56/568875056.db2.gz YMGZQQWQEAWHAU-KNQAVFIVSA-N 1 2 400.482 2.620 50 0 HFAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783365 568875059 /nfs/dbraw/zinc/87/50/59/568875059.db2.gz YMGZQQWQEAWHAU-KNQAVFIVSA-N 1 2 400.482 2.620 50 0 HFAALO Cc1nonc1C[NH2+]Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000299802413 568876718 /nfs/dbraw/zinc/87/67/18/568876718.db2.gz LQQSMTMTBSIBOT-UHFFFAOYSA-N 1 2 422.416 2.899 50 0 HFAALO CC(C)C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)N1C(=O)c2ccccc2C1=O ZINC000012666907 568907211 /nfs/dbraw/zinc/90/72/11/568907211.db2.gz OJEIYHBQJRQWQT-LJQANCHMSA-N 1 2 404.470 2.704 50 0 HFAALO CCCCn1c(SCn2nnc3ccccc3c2=O)nnc1[C@H](CC)[NH+](C)C ZINC000003551432 568914975 /nfs/dbraw/zinc/91/49/75/568914975.db2.gz FONPQDUCCKBARO-INIZCTEOSA-N 1 2 401.540 2.946 50 0 HFAALO Cc1ccc([C@@H](CNC(=O)Cc2c(C)nn(C(F)F)c2C)[NH+]2CCOCC2)s1 ZINC000084205298 568944485 /nfs/dbraw/zinc/94/44/85/568944485.db2.gz ZZJMCLFOFHBGHP-MRXNPFEDSA-N 1 2 412.506 2.997 50 0 HFAALO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@H](S(=O)(=O)NC4CC4)C3)o2)cc1 ZINC000084746706 568957844 /nfs/dbraw/zinc/95/78/44/568957844.db2.gz YQWWZKFDCQPVBA-SFHVURJKSA-N 1 2 420.535 2.572 50 0 HFAALO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@H](S(=O)(=O)NC4CC4)C3)o2)cc1 ZINC000084746706 568957847 /nfs/dbraw/zinc/95/78/47/568957847.db2.gz YQWWZKFDCQPVBA-SFHVURJKSA-N 1 2 420.535 2.572 50 0 HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c32)CC1 ZINC000004310126 568960637 /nfs/dbraw/zinc/96/06/37/568960637.db2.gz GOXFBZGUSOTGHH-UHFFFAOYSA-N 1 2 421.881 2.822 50 0 HFAALO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008268488 568986170 /nfs/dbraw/zinc/98/61/70/568986170.db2.gz LSDBXGBVHKEMPM-INIZCTEOSA-N 1 2 419.547 2.713 50 0 HFAALO COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008268488 568986173 /nfs/dbraw/zinc/98/61/73/568986173.db2.gz LSDBXGBVHKEMPM-INIZCTEOSA-N 1 2 419.547 2.713 50 0 HFAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324722 568991114 /nfs/dbraw/zinc/99/11/14/568991114.db2.gz CQFJHNHARLIIBK-GOSISDBHSA-N 1 2 408.458 2.793 50 0 HFAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324722 568991116 /nfs/dbraw/zinc/99/11/16/568991116.db2.gz CQFJHNHARLIIBK-GOSISDBHSA-N 1 2 408.458 2.793 50 0 HFAALO CCN1CC[NH+](CCCNC(=O)c2nnc(-c3oc4c(cccc4C)c3C)o2)CC1 ZINC000085653645 569006015 /nfs/dbraw/zinc/00/60/15/569006015.db2.gz LBEGNGZRAGALJI-UHFFFAOYSA-N 1 2 411.506 2.857 50 0 HFAALO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000012910662 569021561 /nfs/dbraw/zinc/02/15/61/569021561.db2.gz NTWWWJCBDAXQHR-QGZVFWFLSA-N 1 2 407.561 2.960 50 0 HFAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000012910662 569021562 /nfs/dbraw/zinc/02/15/62/569021562.db2.gz NTWWWJCBDAXQHR-QGZVFWFLSA-N 1 2 407.561 2.960 50 0 HFAALO O=C(NCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)NCc1ccc(F)cc1 ZINC000012922542 569023283 /nfs/dbraw/zinc/02/32/83/569023283.db2.gz NLDQVGVKOSTEIX-UHFFFAOYSA-N 1 2 418.900 2.623 50 0 HFAALO O=C(Cn1cnc2ncccc2c1=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575618514 569037954 /nfs/dbraw/zinc/03/79/54/569037954.db2.gz BVXKLCLMKDDTJK-UHFFFAOYSA-N 1 2 400.442 2.630 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000253401452 569051358 /nfs/dbraw/zinc/05/13/58/569051358.db2.gz FPNLXMIVSFGFBY-AZUAARDMSA-N 1 2 417.469 2.531 50 0 HFAALO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000241586406 569054778 /nfs/dbraw/zinc/05/47/78/569054778.db2.gz OVSWOSZUUNCXRY-WBMJQRKESA-N 1 2 400.306 2.644 50 0 HFAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000241586406 569054777 /nfs/dbraw/zinc/05/47/77/569054777.db2.gz OVSWOSZUUNCXRY-WBMJQRKESA-N 1 2 400.306 2.644 50 0 HFAALO Cc1ccc(SCCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)cc1 ZINC000426412869 569072842 /nfs/dbraw/zinc/07/28/42/569072842.db2.gz ZTEBKIWZXRQJFQ-OAQYLSRUSA-N 1 2 411.571 2.902 50 0 HFAALO Cc1ccc(SCCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000426412869 569072843 /nfs/dbraw/zinc/07/28/43/569072843.db2.gz ZTEBKIWZXRQJFQ-OAQYLSRUSA-N 1 2 411.571 2.902 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](C)c4ncnn4C)csc3C2)nc1 ZINC000426541492 569073358 /nfs/dbraw/zinc/07/33/58/569073358.db2.gz PPLMHWXPGPIPPE-AWEZNQCLSA-N 1 2 410.547 2.883 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](C)c4ncnn4C)csc3C2)nc1 ZINC000426541492 569073359 /nfs/dbraw/zinc/07/33/59/569073359.db2.gz PPLMHWXPGPIPPE-AWEZNQCLSA-N 1 2 410.547 2.883 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)c4ncnn4C)csc3C2)nc1 ZINC000426541493 569073380 /nfs/dbraw/zinc/07/33/80/569073380.db2.gz PPLMHWXPGPIPPE-CQSZACIVSA-N 1 2 410.547 2.883 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)c4ncnn4C)csc3C2)nc1 ZINC000426541493 569073381 /nfs/dbraw/zinc/07/33/81/569073381.db2.gz PPLMHWXPGPIPPE-CQSZACIVSA-N 1 2 410.547 2.883 50 0 HFAALO Cc1nonc1CN(C)C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426597221 569073592 /nfs/dbraw/zinc/07/35/92/569073592.db2.gz LNPAEYMPKYHESC-UHFFFAOYSA-N 1 2 401.492 2.875 50 0 HFAALO Cc1nonc1CN(C)C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426597221 569073593 /nfs/dbraw/zinc/07/35/93/569073593.db2.gz LNPAEYMPKYHESC-UHFFFAOYSA-N 1 2 401.492 2.875 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)c3ncnn3C)csc2C1 ZINC000426662083 569073859 /nfs/dbraw/zinc/07/38/59/569073859.db2.gz IHUARCCCAKWAOY-LBPRGKRZSA-N 1 2 400.508 2.531 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)c3ncnn3C)csc2C1 ZINC000426662083 569073860 /nfs/dbraw/zinc/07/38/60/569073860.db2.gz IHUARCCCAKWAOY-LBPRGKRZSA-N 1 2 400.508 2.531 50 0 HFAALO CC[C@@H](C)N1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024499 569077651 /nfs/dbraw/zinc/07/76/51/569077651.db2.gz JUYSGSSGCXUYSD-IEBWSBKVSA-N 1 2 407.580 2.731 50 0 HFAALO O=C(NCCc1ccccc1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036252869 569119714 /nfs/dbraw/zinc/11/97/14/569119714.db2.gz SPUZCZVHWLROSR-JOCHJYFZSA-N 1 2 409.530 2.955 50 0 HFAALO COc1ccc(CC(=O)N2CC[NH+]([C@@H](C(=O)NCC(C)C)C3CCCC3)CC2)cc1 ZINC000036251527 569119986 /nfs/dbraw/zinc/11/99/86/569119986.db2.gz ZVQQKMQUXRJDHV-HSZRJFAPSA-N 1 2 415.578 2.713 50 0 HFAALO CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036255880 569120251 /nfs/dbraw/zinc/12/02/51/569120251.db2.gz PKFXJOMGSPCEFP-SFHVURJKSA-N 1 2 422.367 2.902 50 0 HFAALO Cn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000065164709 569189379 /nfs/dbraw/zinc/18/93/79/569189379.db2.gz GRJFDVVSMQOFNK-UHFFFAOYSA-N 1 2 418.950 2.776 50 0 HFAALO COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000007001768 569198785 /nfs/dbraw/zinc/19/87/85/569198785.db2.gz UPBWFRKHFGDHAJ-UHFFFAOYSA-N 1 2 423.469 2.847 50 0 HFAALO COc1cccc(CNC(=O)c2cn(-c3cc(N4CCCC[C@H]4C)[nH+]cn3)cn2)c1 ZINC000065239909 569203662 /nfs/dbraw/zinc/20/36/62/569203662.db2.gz IVPCXAHSNJGUNJ-MRXNPFEDSA-N 1 2 406.490 2.980 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)NCc1ccc(F)cc1F ZINC000065295301 569218701 /nfs/dbraw/zinc/21/87/01/569218701.db2.gz VSDQFQVBKVLIQS-UHFFFAOYSA-N 1 2 400.433 2.801 50 0 HFAALO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700382 569222794 /nfs/dbraw/zinc/22/27/94/569222794.db2.gz AAGXNTKPYKSNDU-OAQYLSRUSA-N 1 2 404.532 2.827 50 0 HFAALO COc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700382 569222795 /nfs/dbraw/zinc/22/27/95/569222795.db2.gz AAGXNTKPYKSNDU-OAQYLSRUSA-N 1 2 404.532 2.827 50 0 HFAALO C[C@@H]1CN(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C[C@@H](C)O1 ZINC000007318328 569233374 /nfs/dbraw/zinc/23/33/74/569233374.db2.gz PHBGMMWBRDXGIO-IAGOWNOFSA-N 1 2 415.563 2.591 50 0 HFAALO COC(=O)CCN(Cc1cccc(Br)c1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000170611235 569245647 /nfs/dbraw/zinc/24/56/47/569245647.db2.gz QKDPHKXHPMCLLF-UHFFFAOYSA-N 1 2 408.300 2.578 50 0 HFAALO COC(=O)CCN(Cc1cccc(Br)c1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000170611235 569245648 /nfs/dbraw/zinc/24/56/48/569245648.db2.gz QKDPHKXHPMCLLF-UHFFFAOYSA-N 1 2 408.300 2.578 50 0 HFAALO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)N1CCCC1=O ZINC000009881354 569251158 /nfs/dbraw/zinc/25/11/58/569251158.db2.gz VIKJDDWUJJWSGD-UHFFFAOYSA-N 1 2 417.510 2.633 50 0 HFAALO Cc1ccc([C@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)[NH+]2CCOCC2)s1 ZINC000089656334 569261940 /nfs/dbraw/zinc/26/19/40/569261940.db2.gz OJCNRLXETSXIQR-KRWDZBQOSA-N 1 2 413.499 2.808 50 0 HFAALO CC(C)(CNC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)[NH+]1CCOCC1 ZINC000089761793 569263546 /nfs/dbraw/zinc/26/35/46/569263546.db2.gz SQOGCRFUMRQYDD-UHFFFAOYSA-N 1 2 419.525 2.890 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1C ZINC000252452814 569286344 /nfs/dbraw/zinc/28/63/44/569286344.db2.gz FZJOWZQIOQCURN-YOEHRIQHSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@H]1C ZINC000252452814 569286346 /nfs/dbraw/zinc/28/63/46/569286346.db2.gz FZJOWZQIOQCURN-YOEHRIQHSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[NH+]1CCC(C(=O)OCC)CC1 ZINC000002279954 569327945 /nfs/dbraw/zinc/32/79/45/569327945.db2.gz QAGVAIPAECKKFC-UHFFFAOYSA-N 1 2 419.453 2.697 50 0 HFAALO COc1cccc(-c2cc(C(=O)N3CC[NH+](CCn4c(C)ccc4C)CC3)n[nH]2)c1 ZINC000013366674 569412391 /nfs/dbraw/zinc/41/23/91/569412391.db2.gz BQEJVFBGELTQJY-UHFFFAOYSA-N 1 2 407.518 2.962 50 0 HFAALO Cc1[nH]nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2 ZINC000078947555 569421953 /nfs/dbraw/zinc/42/19/53/569421953.db2.gz UPZIRAQEOVYRTQ-HXUWFJFHSA-N 1 2 420.469 2.953 50 0 HFAALO Cc1[nH]nc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2 ZINC000078947555 569421955 /nfs/dbraw/zinc/42/19/55/569421955.db2.gz UPZIRAQEOVYRTQ-HXUWFJFHSA-N 1 2 420.469 2.953 50 0 HFAALO Cc1cc(C(=O)CN(C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1C1CC1 ZINC000008762913 571114393 /nfs/dbraw/zinc/11/43/93/571114393.db2.gz HNCOZEPSPJSOSA-UHFFFAOYSA-N 1 2 422.573 2.899 50 0 HFAALO Cc1ccc(-c2nnc(SCC(=O)N3CCN(c4cccc[nH+]4)CC3)n2C)cc1 ZINC000008850919 571126875 /nfs/dbraw/zinc/12/68/75/571126875.db2.gz ZEPMFVAWKAFPPU-UHFFFAOYSA-N 1 2 408.531 2.626 50 0 HFAALO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000039990668 571136965 /nfs/dbraw/zinc/13/69/65/571136965.db2.gz FXYHLHYFRGDZDP-LBPRGKRZSA-N 1 2 412.471 2.510 50 0 HFAALO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000039990668 571136968 /nfs/dbraw/zinc/13/69/68/571136968.db2.gz FXYHLHYFRGDZDP-LBPRGKRZSA-N 1 2 412.471 2.510 50 0 HFAALO CSc1nccn1-c1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000040141858 571193101 /nfs/dbraw/zinc/19/31/01/571193101.db2.gz ULTVXRZOMSWQBS-UHFFFAOYSA-N 1 2 409.515 2.756 50 0 HFAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009415269 571256222 /nfs/dbraw/zinc/25/62/22/571256222.db2.gz UQCRKPIFUSVENW-UHFFFAOYSA-N 1 2 419.279 2.698 50 0 HFAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009415269 571256223 /nfs/dbraw/zinc/25/62/23/571256223.db2.gz UQCRKPIFUSVENW-UHFFFAOYSA-N 1 2 419.279 2.698 50 0 HFAALO Cc1cc(C)cc(-n2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)nn2)c1 ZINC000071326458 571291611 /nfs/dbraw/zinc/29/16/11/571291611.db2.gz VCASEUVEQYUTQO-UHFFFAOYSA-N 1 2 419.485 2.571 50 0 HFAALO CNC(=O)c1cccc(-c2noc(C3C[NH+](CC(=O)Nc4cccc(C)c4C)C3)n2)c1 ZINC000077099590 571311005 /nfs/dbraw/zinc/31/10/05/571311005.db2.gz HDEVCSXQZGKBPJ-UHFFFAOYSA-N 1 2 419.485 2.751 50 0 HFAALO O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007445519 132324453 /nfs/dbraw/zinc/32/44/53/132324453.db2.gz RVRVXXYWICFKEV-UHFFFAOYSA-N 1 2 416.532 2.579 50 0 HFAALO CCc1nc2ccc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2nc1CC ZINC000021521353 132472520 /nfs/dbraw/zinc/47/25/20/132472520.db2.gz LZUUYIIUKHCGAQ-UHFFFAOYSA-N 1 2 405.502 2.916 50 0 HFAALO Cc1ccc(O)c(C(=O)c2cnn(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)c2)c1 ZINC000025562748 518189370 /nfs/dbraw/zinc/18/93/70/518189370.db2.gz OATWMXKZYHMBBH-UHFFFAOYSA-N 1 2 418.497 2.981 50 0 HFAALO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000040009670 518805126 /nfs/dbraw/zinc/80/51/26/518805126.db2.gz QRZATCCIBJERBF-HXUWFJFHSA-N 1 2 417.550 2.782 50 0 HFAALO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C(C)C)cc1 ZINC000024096728 520912154 /nfs/dbraw/zinc/91/21/54/520912154.db2.gz RQJFJYLZJIUZPB-OAQYLSRUSA-N 1 2 413.518 2.777 50 0 HFAALO COc1ccc(-n2c(C[NH+]3CCC(NS(C)(=O)=O)CC3)nc3ccccc32)cc1 ZINC000040057127 523316111 /nfs/dbraw/zinc/31/61/11/523316111.db2.gz PTNPAQYDQYBXLS-UHFFFAOYSA-N 1 2 414.531 2.548 50 0 HFAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1Cl ZINC000072140565 524550681 /nfs/dbraw/zinc/55/06/81/524550681.db2.gz CDCHWHWZRGOQOT-UHFFFAOYSA-N 1 2 413.869 2.678 50 0 HFAALO COc1ccc(OCc2noc(C[NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000032868826 524979456 /nfs/dbraw/zinc/97/94/56/524979456.db2.gz XSWUYHOCRIHZLI-CQSZACIVSA-N 1 2 417.487 2.912 50 0 HFAALO Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)ccc12 ZINC000020589218 526148948 /nfs/dbraw/zinc/14/89/48/526148948.db2.gz UOXLZKTUDMVHLW-UHFFFAOYSA-N 1 2 408.454 2.951 50 0 biogenic HFAALO CCCCCNC(=O)c1cn(CC)c2cc(N3CC[NH+](C)CC3)c(F)cc2c1=O ZINC000002268736 535074253 /nfs/dbraw/zinc/07/42/53/535074253.db2.gz WUCILWDXHCNIJB-UHFFFAOYSA-N 1 2 402.514 2.832 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022853726 557840538 /nfs/dbraw/zinc/84/05/38/557840538.db2.gz MPIWAOXRBLDZSG-OAHLLOKOSA-N 1 2 419.938 2.999 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCC(O)CC1)S2 ZINC000022855227 557842455 /nfs/dbraw/zinc/84/24/55/557842455.db2.gz DEBXJJUNZHHCHI-QGZVFWFLSA-N 1 2 418.519 2.622 50 0 HFAALO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]Cc1ccccn1 ZINC000011788761 558276990 /nfs/dbraw/zinc/27/69/90/558276990.db2.gz LHDJCSQWNVOLBM-UHFFFAOYSA-N 1 2 417.469 2.586 50 0 HFAALO Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000019939593 558313678 /nfs/dbraw/zinc/31/36/78/558313678.db2.gz RRLIHFSGTBZWTN-CQSZACIVSA-N 1 2 403.552 2.616 50 0 HFAALO COc1ccc(CCN2Cn3c4ccccc4nc3N(CC[NH+]3CCOCC3)C2)cc1 ZINC000020101373 558331955 /nfs/dbraw/zinc/33/19/55/558331955.db2.gz WGOUBJSJVRDSIR-UHFFFAOYSA-N 1 2 421.545 2.657 50 0 HFAALO COc1ccc(OC)c(-n2c(O)c([C@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=S)c1 ZINC000020149999 558340519 /nfs/dbraw/zinc/34/05/19/558340519.db2.gz QUDLWXXLAFHFHT-SFHVURJKSA-N 1 2 411.483 2.853 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 ZINC000020150260 558340531 /nfs/dbraw/zinc/34/05/31/558340531.db2.gz OXFQZGFYLFYDNW-CAPFRKAQSA-N 1 2 413.905 2.559 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000020450605 558365275 /nfs/dbraw/zinc/36/52/75/558365275.db2.gz JOTRJVXGRKVZBP-CYBMUJFWSA-N 1 2 401.417 2.699 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000020450605 558365277 /nfs/dbraw/zinc/36/52/77/558365277.db2.gz JOTRJVXGRKVZBP-CYBMUJFWSA-N 1 2 401.417 2.699 50 0 HFAALO CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000020455428 558369127 /nfs/dbraw/zinc/36/91/27/558369127.db2.gz DSWAYWPAXPVISE-UHFFFAOYSA-N 1 2 420.561 2.919 50 0 HFAALO COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020513038 558382393 /nfs/dbraw/zinc/38/23/93/558382393.db2.gz FMRHTJNWDRRDTR-UHFFFAOYSA-N 1 2 414.458 2.575 50 0 HFAALO O=C(C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)N1CCCCCC1 ZINC000022929021 558386286 /nfs/dbraw/zinc/38/62/86/558386286.db2.gz HTAGXLQYZIUNIK-UHFFFAOYSA-N 1 2 417.941 2.910 50 0 HFAALO O=C(c1cncs1)N1CCC[C@@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000020781852 558412914 /nfs/dbraw/zinc/41/29/14/558412914.db2.gz IVECQCUDLBHAMD-GOSISDBHSA-N 1 2 401.532 2.907 50 0 HFAALO Cc1ccnn1-c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020902369 558420427 /nfs/dbraw/zinc/42/04/27/558420427.db2.gz PLMRTWRHXXEJHY-UHFFFAOYSA-N 1 2 404.470 2.867 50 0 HFAALO CCn1ncc(C[NH+]2CCN(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)CC2)c1C ZINC000022438004 558489651 /nfs/dbraw/zinc/48/96/51/558489651.db2.gz ZULQZCJMIIPLDL-HNNXBMFYSA-N 1 2 412.460 2.641 50 0 HFAALO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000022633345 558503599 /nfs/dbraw/zinc/50/35/99/558503599.db2.gz GPJCGQLBZYUCHJ-GOSISDBHSA-N 1 2 419.319 2.647 50 0 HFAALO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022782726 558510345 /nfs/dbraw/zinc/51/03/45/558510345.db2.gz TYEJJAWMHMLDBS-QGZVFWFLSA-N 1 2 404.530 2.561 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1)N1CCCC1 ZINC000022800233 558512891 /nfs/dbraw/zinc/51/28/91/558512891.db2.gz BWHLDODVVJYMDC-UHFFFAOYSA-N 1 2 406.530 2.679 50 0 HFAALO O=C(C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1)N1CCCC1 ZINC000022800233 558512895 /nfs/dbraw/zinc/51/28/95/558512895.db2.gz BWHLDODVVJYMDC-UHFFFAOYSA-N 1 2 406.530 2.679 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000022909960 558519438 /nfs/dbraw/zinc/51/94/38/558519438.db2.gz UCVWRQUIOYFFLA-HXUWFJFHSA-N 1 2 402.539 2.550 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3cnn(C(C)C)c3)C[C@H]2CCO)cc(OC)c1 ZINC000022909960 558519440 /nfs/dbraw/zinc/51/94/40/558519440.db2.gz UCVWRQUIOYFFLA-HXUWFJFHSA-N 1 2 402.539 2.550 50 0 HFAALO COc1cc(-c2n[nH]cc2CN2CC[NH+](Cc3cccnc3)CC2)cc(OC)c1OC ZINC000022914161 558520906 /nfs/dbraw/zinc/52/09/06/558520906.db2.gz QPRCGDXLMPIMAH-UHFFFAOYSA-N 1 2 423.517 2.815 50 0 HFAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022914558 558521151 /nfs/dbraw/zinc/52/11/51/558521151.db2.gz YBXFAQITNYETKX-MRXNPFEDSA-N 1 2 424.948 2.826 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000022929483 558523475 /nfs/dbraw/zinc/52/34/75/558523475.db2.gz IXLKLBJMTHNSJV-KURKYZTESA-N 1 2 420.985 2.789 50 0 HFAALO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1F ZINC000022929594 558523722 /nfs/dbraw/zinc/52/37/22/558523722.db2.gz KUOGYHKXSCEUCD-LMMKCTJWSA-N 1 2 418.557 2.583 50 0 HFAALO CCc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000022931955 558524681 /nfs/dbraw/zinc/52/46/81/558524681.db2.gz XCNLPZKEEONWIU-IBGZPJMESA-N 1 2 400.567 2.596 50 0 HFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000023240934 558545142 /nfs/dbraw/zinc/54/51/42/558545142.db2.gz ZDYYQOFXDSFVDE-UHFFFAOYSA-N 1 2 421.541 2.980 50 0 HFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000023240934 558545145 /nfs/dbraw/zinc/54/51/45/558545145.db2.gz ZDYYQOFXDSFVDE-UHFFFAOYSA-N 1 2 421.541 2.980 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1cccc(F)c1 ZINC000024015440 558584679 /nfs/dbraw/zinc/58/46/79/558584679.db2.gz UGIRJSZSHPFWPJ-SFHVURJKSA-N 1 2 413.478 2.591 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1cccc(F)c1 ZINC000024015984 558584705 /nfs/dbraw/zinc/58/47/05/558584705.db2.gz RKQIIPXJGXXLQM-HXUWFJFHSA-N 1 2 417.444 2.735 50 0 HFAALO Cc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)n1 ZINC000024835832 558616069 /nfs/dbraw/zinc/61/60/69/558616069.db2.gz WSMQMMATMYMNKI-AWEZNQCLSA-N 1 2 415.519 2.664 50 0 HFAALO CC(C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000024842904 558617222 /nfs/dbraw/zinc/61/72/22/558617222.db2.gz WCAITIGXCQKVEN-AWEZNQCLSA-N 1 2 414.877 2.994 50 0 HFAALO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1Cl ZINC000024986477 558625038 /nfs/dbraw/zinc/62/50/38/558625038.db2.gz BPKFXZPNEBVUCY-GOSISDBHSA-N 1 2 421.950 2.719 50 0 HFAALO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1Cl ZINC000024986477 558625040 /nfs/dbraw/zinc/62/50/40/558625040.db2.gz BPKFXZPNEBVUCY-GOSISDBHSA-N 1 2 421.950 2.719 50 0 HFAALO Cc1cc(N)nc(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)[nH+]1 ZINC000025040644 558627559 /nfs/dbraw/zinc/62/75/59/558627559.db2.gz QNHCCOJCDLDMEF-UHFFFAOYSA-N 1 2 400.504 2.816 50 0 HFAALO O=C1c2ccccc2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014189750 558632468 /nfs/dbraw/zinc/63/24/68/558632468.db2.gz HSPOLBRJRGZBLO-UHFFFAOYSA-N 1 2 404.392 2.866 50 0 HFAALO O=C1c2ccccc2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014189750 558632470 /nfs/dbraw/zinc/63/24/70/558632470.db2.gz HSPOLBRJRGZBLO-UHFFFAOYSA-N 1 2 404.392 2.866 50 0 HFAALO CN1C(=O)C[C@H](C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000072242129 558640648 /nfs/dbraw/zinc/64/06/48/558640648.db2.gz PEVXGWKJRDDVDF-UNMCSNQZSA-N 1 2 413.468 2.829 50 0 HFAALO O=C(CSc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCCC1 ZINC000014238088 558642367 /nfs/dbraw/zinc/64/23/67/558642367.db2.gz KIOUHMBOTLOSQY-UHFFFAOYSA-N 1 2 410.543 2.759 50 0 HFAALO O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000025590586 558645136 /nfs/dbraw/zinc/64/51/36/558645136.db2.gz HCAIELGTYRNWBZ-UHFFFAOYSA-N 1 2 415.921 2.609 50 0 HFAALO Cc1cccn2cc(COC(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)[nH+]c12 ZINC000014675617 558663319 /nfs/dbraw/zinc/66/33/19/558663319.db2.gz YVJKMONWOIGLNR-UHFFFAOYSA-N 1 2 407.879 2.903 50 0 HFAALO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1)CC2 ZINC000026930972 558667225 /nfs/dbraw/zinc/66/72/25/558667225.db2.gz TZXVBJFFLUPXBE-HXUWFJFHSA-N 1 2 423.513 2.692 50 0 HFAALO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1)CC2 ZINC000026930972 558667228 /nfs/dbraw/zinc/66/72/28/558667228.db2.gz TZXVBJFFLUPXBE-HXUWFJFHSA-N 1 2 423.513 2.692 50 0 HFAALO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000014748030 558669699 /nfs/dbraw/zinc/66/96/99/558669699.db2.gz YOGTVENQIXGROD-LEWJYISDSA-N 1 2 422.916 2.575 50 0 HFAALO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@H+](Cc3ccccc3Cl)C[C@H]12 ZINC000014748030 558669702 /nfs/dbraw/zinc/66/97/02/558669702.db2.gz YOGTVENQIXGROD-LEWJYISDSA-N 1 2 422.916 2.575 50 0 HFAALO CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027377726 558672731 /nfs/dbraw/zinc/67/27/31/558672731.db2.gz GDJXFTCITNMPKH-IBGZPJMESA-N 1 2 400.567 2.767 50 0 HFAALO O=C(CSc1nc2ccccc2[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000027774328 558682322 /nfs/dbraw/zinc/68/23/22/558682322.db2.gz GZSFQCWDOXQSSJ-UHFFFAOYSA-N 1 2 424.526 2.771 50 0 HFAALO Cc1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2=O)cc1F ZINC000027999574 558689355 /nfs/dbraw/zinc/68/93/55/558689355.db2.gz UCGLGYDDHRKEIC-MRXNPFEDSA-N 1 2 401.507 2.893 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NC1Cc2ccccc2C1 ZINC000015066260 558709076 /nfs/dbraw/zinc/70/90/76/558709076.db2.gz DGUAABMZWHHOLR-XMMPIXPASA-N 1 2 413.521 2.814 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NC1Cc2ccccc2C1 ZINC000015066260 558709080 /nfs/dbraw/zinc/70/90/80/558709080.db2.gz DGUAABMZWHHOLR-XMMPIXPASA-N 1 2 413.521 2.814 50 0 HFAALO c1cn(C[C@H](Nc2nc3nonc3nc2N2CCSCC2)c2ccccc2)c[nH+]1 ZINC000015074374 558715136 /nfs/dbraw/zinc/71/51/36/558715136.db2.gz NFPQOLSWOXSCHU-HNNXBMFYSA-N 1 2 408.491 2.616 50 0 HFAALO CC[N@@H+](Cc1nc(CNC(=O)c2ccccc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000029525665 558716489 /nfs/dbraw/zinc/71/64/89/558716489.db2.gz AKMGZKGXIGBGPD-QGZVFWFLSA-N 1 2 408.458 2.662 50 0 HFAALO CC[N@H+](Cc1nc(CNC(=O)c2ccccc2)no1)C[C@@H]1COc2ccccc2O1 ZINC000029525665 558716491 /nfs/dbraw/zinc/71/64/91/558716491.db2.gz AKMGZKGXIGBGPD-QGZVFWFLSA-N 1 2 408.458 2.662 50 0 HFAALO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000029933103 558724407 /nfs/dbraw/zinc/72/44/07/558724407.db2.gz JZPSXWKPANNTGR-INIZCTEOSA-N 1 2 422.934 2.905 50 0 HFAALO COc1cccc(N2C[C@@H](C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2=O)c1 ZINC000030216730 558728136 /nfs/dbraw/zinc/72/81/36/558728136.db2.gz LNHZSQOLSZKCBU-IBGZPJMESA-N 1 2 404.470 2.609 50 0 HFAALO Cc1c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000033359571 558767901 /nfs/dbraw/zinc/76/79/01/558767901.db2.gz XTBMSZAYMPYTHQ-UHFFFAOYSA-N 1 2 406.486 2.569 50 0 HFAALO C[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000072308853 558772039 /nfs/dbraw/zinc/77/20/39/558772039.db2.gz BJHKUTASXFAQFD-NRFANRHFSA-N 1 2 400.544 2.596 50 0 HFAALO C[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000072308853 558772041 /nfs/dbraw/zinc/77/20/41/558772041.db2.gz BJHKUTASXFAQFD-NRFANRHFSA-N 1 2 400.544 2.596 50 0 HFAALO COc1ccc([C@H](NC(=O)CCn2c(=O)oc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000016475999 558793356 /nfs/dbraw/zinc/79/33/56/558793356.db2.gz RYRFVKBMUXHBJN-FQEVSTJZSA-N 1 2 406.442 2.633 50 0 HFAALO COc1ccc([C@@H](NC(=O)c2nn(-c3ccccc3)nc2C)c2[nH+]ccn2C)cc1 ZINC000016475247 558793394 /nfs/dbraw/zinc/79/33/94/558793394.db2.gz UPRSXBQERKCLRI-HXUWFJFHSA-N 1 2 402.458 2.837 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)CC1 ZINC000035800892 558795127 /nfs/dbraw/zinc/79/51/27/558795127.db2.gz NHRGQAXBMHXYFQ-UHFFFAOYSA-N 1 2 411.886 2.668 50 0 HFAALO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032987862 558807766 /nfs/dbraw/zinc/80/77/66/558807766.db2.gz SCXYKPMBDLDUMK-MRXNPFEDSA-N 1 2 422.938 2.805 50 0 HFAALO Cc1cccnc1C[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NC(C)(C)C)CC1 ZINC000055036126 558870244 /nfs/dbraw/zinc/87/02/44/558870244.db2.gz FSVFJRJTVUPPHQ-MOPGFXCFSA-N 1 2 400.567 2.755 50 0 HFAALO c1ccc2c(c1)COC(CN1CC[NH+](CC3OCc4ccccc4CO3)CC1)OC2 ZINC000019358922 558875910 /nfs/dbraw/zinc/87/59/10/558875910.db2.gz HBRWENCAPJITJS-UHFFFAOYSA-N 1 2 410.514 2.750 50 0 HFAALO C[C@H]1NC(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)=NN(c2ccccc2)C1=O ZINC000058049923 558896660 /nfs/dbraw/zinc/89/66/60/558896660.db2.gz WWOJHGHYMJZLNZ-CQSZACIVSA-N 1 2 402.458 2.578 50 0 HFAALO COc1ccc(CCNC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000058164019 558906584 /nfs/dbraw/zinc/90/65/84/558906584.db2.gz RPCQUXHEFHJQEM-UHFFFAOYSA-N 1 2 417.937 2.838 50 0 HFAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNc2cc(C(N)=O)ccn2)CC1 ZINC000067604586 558988592 /nfs/dbraw/zinc/98/85/92/558988592.db2.gz SICSQKZZDNVTAP-UHFFFAOYSA-N 1 2 402.502 2.823 50 0 HFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000067621906 558989848 /nfs/dbraw/zinc/98/98/48/558989848.db2.gz WGWWBANALCXDHT-UHFFFAOYSA-N 1 2 400.845 2.726 50 0 HFAALO Cc1csc(=O)n1CC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000096833128 558993668 /nfs/dbraw/zinc/99/36/68/558993668.db2.gz PUGKSYKPJMXMNA-UHFFFAOYSA-N 1 2 419.938 2.739 50 0 HFAALO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2Cc3ccccc3C2)[nH]c1=O ZINC000077458396 559006051 /nfs/dbraw/zinc/00/60/51/559006051.db2.gz OUNYPNLBLMNLHB-UHFFFAOYSA-N 1 2 403.438 2.549 50 0 HFAALO C[C@H](CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)n1cc[nH+]c1 ZINC000091626382 559072607 /nfs/dbraw/zinc/07/26/07/559072607.db2.gz MNXHIWRNKNFUTR-LLVKDONJSA-N 1 2 406.273 2.855 50 0 HFAALO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3nnc(C)o3)CC2)c1 ZINC000095505368 559083059 /nfs/dbraw/zinc/08/30/59/559083059.db2.gz OZIGFBCEOSYMPB-UHFFFAOYSA-N 1 2 400.479 2.666 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3c(C)nn(CC)c3C)C[C@H]2CCO)cc1 ZINC000095524883 559085950 /nfs/dbraw/zinc/08/59/50/559085950.db2.gz NCKDKBCBGLUHQE-OAQYLSRUSA-N 1 2 400.567 2.987 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3c(C)nn(CC)c3C)C[C@H]2CCO)cc1 ZINC000095524883 559085952 /nfs/dbraw/zinc/08/59/52/559085952.db2.gz NCKDKBCBGLUHQE-OAQYLSRUSA-N 1 2 400.567 2.987 50 0 HFAALO COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000006239720 559112396 /nfs/dbraw/zinc/11/23/96/559112396.db2.gz ZFDBSDNWHLPBAN-LTGZKZEYSA-N 1 2 404.470 2.869 50 0 HFAALO CC(=O)NCc1cc2n(n1)CC[N@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000426537442 559274571 /nfs/dbraw/zinc/27/45/71/559274571.db2.gz HGWWNRGSIWOFMU-UHFFFAOYSA-N 1 2 400.486 2.850 50 0 HFAALO CC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1c(-c3ccccc3)nc3ccccn31)C2 ZINC000426537442 559274573 /nfs/dbraw/zinc/27/45/73/559274573.db2.gz HGWWNRGSIWOFMU-UHFFFAOYSA-N 1 2 400.486 2.850 50 0 HFAALO O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCCn1cc[nH+]c1 ZINC000252492451 559277667 /nfs/dbraw/zinc/27/76/67/559277667.db2.gz MMTDVUBJRBRXPH-GOSISDBHSA-N 1 2 405.458 2.652 50 0 HFAALO COCC[N@@H+](CC(=O)Nc1cccc(C)c1C)C[C@@H](O)COc1ccc(F)cc1 ZINC000024541228 560844723 /nfs/dbraw/zinc/84/47/23/560844723.db2.gz MZRSXGVVKFVVFX-LJQANCHMSA-N 1 2 404.482 2.769 50 0 HFAALO COCC[N@H+](CC(=O)Nc1cccc(C)c1C)C[C@@H](O)COc1ccc(F)cc1 ZINC000024541228 560844724 /nfs/dbraw/zinc/84/47/24/560844724.db2.gz MZRSXGVVKFVVFX-LJQANCHMSA-N 1 2 404.482 2.769 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN([C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000105125467 560861670 /nfs/dbraw/zinc/86/16/70/560861670.db2.gz OOZDKRJIJFEWIQ-XDNAFOTISA-N 1 2 416.591 2.999 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907261 568415763 /nfs/dbraw/zinc/41/57/63/568415763.db2.gz IFTFNCGMQACJBG-NRFANRHFSA-N 1 2 403.482 2.812 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907261 568415764 /nfs/dbraw/zinc/41/57/64/568415764.db2.gz IFTFNCGMQACJBG-NRFANRHFSA-N 1 2 403.482 2.812 50 0 HFAALO COc1cccc(CNC(=O)C2CCN(c3nc(-n4nc(C)cc4C)cc[nH+]3)CC2)c1 ZINC000049411609 568450196 /nfs/dbraw/zinc/45/01/96/568450196.db2.gz FDPPQZYJUPMCGK-UHFFFAOYSA-N 1 2 420.517 2.821 50 0 HFAALO COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604419273 568493086 /nfs/dbraw/zinc/49/30/86/568493086.db2.gz FNTVDILDEGKLRF-OAHLLOKOSA-N 1 2 417.412 2.801 50 0 HFAALO COC(=O)C[C@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604419273 568493087 /nfs/dbraw/zinc/49/30/87/568493087.db2.gz FNTVDILDEGKLRF-OAHLLOKOSA-N 1 2 417.412 2.801 50 0 HFAALO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022784249 568499613 /nfs/dbraw/zinc/49/96/13/568499613.db2.gz IWQDDDRWJGLVFM-KRWDZBQOSA-N 1 2 404.530 2.561 50 0 HFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C)c(Cl)c1)[N@H+](C)CC3)OCO2 ZINC000020412807 568605754 /nfs/dbraw/zinc/60/57/54/568605754.db2.gz HFZLLQUFBYPWDW-QGZVFWFLSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C)c(Cl)c1)[N@@H+](C)CC3)OCO2 ZINC000020412807 568605755 /nfs/dbraw/zinc/60/57/55/568605755.db2.gz HFZLLQUFBYPWDW-QGZVFWFLSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)n1cc[nH+]c1-c1ccccc1 ZINC000095430244 568609001 /nfs/dbraw/zinc/60/90/01/568609001.db2.gz QILKFQQVJBWQRW-UXHICEINSA-N 1 2 423.561 2.656 50 0 HFAALO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000095433263 568609587 /nfs/dbraw/zinc/60/95/87/568609587.db2.gz UGRICPRGGRCYII-VXGBXAGGSA-N 1 2 414.877 2.825 50 0 HFAALO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000095433263 568609588 /nfs/dbraw/zinc/60/95/88/568609588.db2.gz UGRICPRGGRCYII-VXGBXAGGSA-N 1 2 414.877 2.825 50 0 HFAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2[nH]c1=S ZINC000020645331 568639102 /nfs/dbraw/zinc/63/91/02/568639102.db2.gz UDAYJKNUXDSRBD-UHFFFAOYSA-N 1 2 410.543 2.957 50 0 HFAALO Cc1nnc(Sc2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)s1 ZINC000020725560 568640729 /nfs/dbraw/zinc/64/07/29/568640729.db2.gz PDSLAMAJCHWOQI-UHFFFAOYSA-N 1 2 415.544 2.608 50 0 HFAALO Cc1cc(C)cc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020758946 568641718 /nfs/dbraw/zinc/64/17/18/568641718.db2.gz UWBZOTIAJMWTEI-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1cc(C)cc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020758946 568641719 /nfs/dbraw/zinc/64/17/19/568641719.db2.gz UWBZOTIAJMWTEI-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO CCOc1ccc(-n2c(C)nc3cc(C(=O)NCC[NH+]4CCOCC4)ccc32)cc1 ZINC000020757781 568641950 /nfs/dbraw/zinc/64/19/50/568641950.db2.gz RHUQIKXMOFCGGY-UHFFFAOYSA-N 1 2 408.502 2.795 50 0 HFAALO Cc1cc2[nH+]cn(C[C@H](O)CN3C(=O)O[C@]4(CCc5ccccc54)C3=O)c2cc1C ZINC000225835568 568679311 /nfs/dbraw/zinc/67/93/11/568679311.db2.gz AVKXJJPNFZBAAI-SBUREZEXSA-N 1 2 405.454 2.835 50 0 HFAALO CN1c2cccnc2Sc2ccc(NC(=O)C[NH+]3CCSCC3)cc2C1=O ZINC000096231593 568707326 /nfs/dbraw/zinc/70/73/26/568707326.db2.gz IPCIULQXGFRESI-UHFFFAOYSA-N 1 2 400.529 2.810 50 0 HFAALO NC(=O)c1cc(Cl)ccc1OCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000021521402 568708716 /nfs/dbraw/zinc/70/87/16/568708716.db2.gz LJLMXQYMACZQLP-UHFFFAOYSA-N 1 2 422.312 2.816 50 0 HFAALO COc1ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccno3)nc2c1 ZINC000012443822 568725122 /nfs/dbraw/zinc/72/51/22/568725122.db2.gz PIOCVTBKLBIBIZ-UHFFFAOYSA-N 1 2 402.476 2.662 50 0 HFAALO COc1ccc([C@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 ZINC000239235384 568728389 /nfs/dbraw/zinc/72/83/89/568728389.db2.gz VWIWPYCZKOWENP-NQIIRXRSSA-N 1 2 418.501 2.767 50 0 HFAALO O=C(CSCc1nc2cccnc2n1C1CCCCC1)NCC[NH+]1CCOCC1 ZINC000021650999 568729089 /nfs/dbraw/zinc/72/90/89/568729089.db2.gz VUFZXOITCHKUGL-UHFFFAOYSA-N 1 2 417.579 2.618 50 0 HFAALO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000021662875 568736258 /nfs/dbraw/zinc/73/62/58/568736258.db2.gz YVJWLXKWDQUFQD-UHFFFAOYSA-N 1 2 418.497 2.922 50 0 HFAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C(N)=O)cc4)C3)no2)cc1 ZINC000021724654 568751214 /nfs/dbraw/zinc/75/12/14/568751214.db2.gz UOMLDYQGQKDABA-SFHVURJKSA-N 1 2 419.485 2.995 50 0 HFAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C(N)=O)cc4)C3)no2)cc1 ZINC000021724654 568751215 /nfs/dbraw/zinc/75/12/15/568751215.db2.gz UOMLDYQGQKDABA-SFHVURJKSA-N 1 2 419.485 2.995 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021847896 568754718 /nfs/dbraw/zinc/75/47/18/568754718.db2.gz FFSSUERFFASBSG-ZDUSSCGKSA-N 1 2 421.419 2.977 50 0 HFAALO COc1ccc(Cl)cc1C(=O)NCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000056997310 568822372 /nfs/dbraw/zinc/82/23/72/568822372.db2.gz CHXLXQACAWMMII-UHFFFAOYSA-N 1 2 403.910 2.909 50 0 HFAALO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000056997770 568822750 /nfs/dbraw/zinc/82/27/50/568822750.db2.gz CYFWUFDXAIHMSH-UHFFFAOYSA-N 1 2 420.435 2.582 50 0 HFAALO O=C(NCCC1=CCCCC1)C(=O)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997937 568822920 /nfs/dbraw/zinc/82/29/20/568822920.db2.gz WGNTVYDNDYVMBY-UHFFFAOYSA-N 1 2 418.969 2.585 50 0 HFAALO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C ZINC000056997962 568822986 /nfs/dbraw/zinc/82/29/86/568822986.db2.gz FUPYLHSUOFPMOJ-UHFFFAOYSA-N 1 2 414.937 2.834 50 0 HFAALO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000057292066 568825876 /nfs/dbraw/zinc/82/58/76/568825876.db2.gz CNTDIEBRLFPLGR-QGZVFWFLSA-N 1 2 411.502 2.641 50 0 HFAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414880 568833559 /nfs/dbraw/zinc/83/35/59/568833559.db2.gz KLDVZBVQEDZEIG-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414880 568833562 /nfs/dbraw/zinc/83/35/62/568833562.db2.gz KLDVZBVQEDZEIG-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414880 568833564 /nfs/dbraw/zinc/83/35/64/568833564.db2.gz KLDVZBVQEDZEIG-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057414880 568833567 /nfs/dbraw/zinc/83/35/67/568833567.db2.gz KLDVZBVQEDZEIG-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3ccccc3C)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414334 568833700 /nfs/dbraw/zinc/83/37/00/568833700.db2.gz PENMGZSHXDRCMH-QFIPXVFZSA-N 1 2 420.513 2.598 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414337 568833787 /nfs/dbraw/zinc/83/37/87/568833787.db2.gz NCFVVBRRIMJTTI-QFIPXVFZSA-N 1 2 420.513 2.598 50 0 HFAALO CCc1nc2ccccc2n1CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000012551670 568853563 /nfs/dbraw/zinc/85/35/63/568853563.db2.gz NIJFTGZKQBKORF-UHFFFAOYSA-N 1 2 419.529 2.818 50 0 HFAALO Cc1cccc2c(=O)n(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)cnc12 ZINC000012573759 568862127 /nfs/dbraw/zinc/86/21/27/568862127.db2.gz XGEYLHYAOUZXPG-FQEVSTJZSA-N 1 2 421.888 2.998 50 0 HFAALO Cc1nc(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cs1 ZINC000299792081 568875974 /nfs/dbraw/zinc/87/59/74/568875974.db2.gz FICDOVBETDHCBZ-HXUWFJFHSA-N 1 2 419.522 2.861 50 0 HFAALO Cc1ccc(C[C@]2(CCC(=O)N3CC[NH+](Cc4cccnc4)CC3)CCC(=O)N2)cc1 ZINC000299798739 568876542 /nfs/dbraw/zinc/87/65/42/568876542.db2.gz UMFINUBROYOJSO-RUZDIDTESA-N 1 2 420.557 2.706 50 0 HFAALO CN(CC[NH+]1CCOCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 ZINC000083860904 568921410 /nfs/dbraw/zinc/92/14/10/568921410.db2.gz IBBCWLVAKBCXJE-UHFFFAOYSA-N 1 2 400.454 2.874 50 0 HFAALO Cc1cc(S(=O)(=O)Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)cnc1Cl ZINC000084101612 568937672 /nfs/dbraw/zinc/93/76/72/568937672.db2.gz BKAROTUYQDUBQD-UHFFFAOYSA-N 1 2 408.911 2.546 50 0 HFAALO O=S(=O)(c1ccc2nc(Cl)cnc2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000084536093 568950794 /nfs/dbraw/zinc/95/07/94/568950794.db2.gz NRHPNBFSQZZCDW-UHFFFAOYSA-N 1 2 402.907 2.790 50 0 HFAALO O=C(CCCNC(=O)c1cccs1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000012779444 568957059 /nfs/dbraw/zinc/95/70/59/568957059.db2.gz TVZRQMCILCUBOW-HNNXBMFYSA-N 1 2 407.561 2.509 50 0 HFAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cnn(-c2ccccc2)c1 ZINC000008189499 568980841 /nfs/dbraw/zinc/98/08/41/568980841.db2.gz RUEKIZXSRIFHBQ-UHFFFAOYSA-N 1 2 403.486 2.835 50 0 HFAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cnn(-c2ccccc2)c1 ZINC000008189499 568980842 /nfs/dbraw/zinc/98/08/42/568980842.db2.gz RUEKIZXSRIFHBQ-UHFFFAOYSA-N 1 2 403.486 2.835 50 0 HFAALO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000008324748 568991185 /nfs/dbraw/zinc/99/11/85/568991185.db2.gz KIXMKSVXMKXCIJ-QFIPXVFZSA-N 1 2 418.603 2.899 50 0 HFAALO CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000008344315 568994216 /nfs/dbraw/zinc/99/42/16/568994216.db2.gz RHBFWJRHUQACDB-UHFFFAOYSA-N 1 2 414.481 2.729 50 0 HFAALO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000008344315 568994218 /nfs/dbraw/zinc/99/42/18/568994218.db2.gz RHBFWJRHUQACDB-UHFFFAOYSA-N 1 2 414.481 2.729 50 0 HFAALO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NCc1ccccc1F ZINC000012821526 569005838 /nfs/dbraw/zinc/00/58/38/569005838.db2.gz PGEQESBIXAXVRR-UHFFFAOYSA-N 1 2 412.461 2.808 50 0 HFAALO CN(Cc1ccc(Br)cc1)C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000035283934 569017326 /nfs/dbraw/zinc/01/73/26/569017326.db2.gz WVZXLSVBZKDXCO-UHFFFAOYSA-N 1 2 409.353 2.686 50 0 HFAALO CC(C)(CNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)[NH+]1CCOCC1 ZINC000012909781 569021451 /nfs/dbraw/zinc/02/14/51/569021451.db2.gz KLZBCOUFQVXVOV-UHFFFAOYSA-N 1 2 419.529 2.834 50 0 HFAALO CC(C)(CNC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1)[NH+]1CCOCC1 ZINC000012940360 569028511 /nfs/dbraw/zinc/02/85/11/569028511.db2.gz YFHXYWKABWRJKM-UHFFFAOYSA-N 1 2 414.477 2.663 50 0 HFAALO C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccccc2F)n(C)c1=O ZINC000008704310 569031945 /nfs/dbraw/zinc/03/19/45/569031945.db2.gz LNEWGOBBQXRSGY-GJBLVYBDSA-N 1 2 410.453 2.569 50 0 HFAALO CCc1cccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000035430776 569036793 /nfs/dbraw/zinc/03/67/93/569036793.db2.gz SAHLLZIYTWIKQR-UHFFFAOYSA-N 1 2 408.477 2.738 50 0 biogenic HFAALO COc1cccc(NC(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000012975668 569042105 /nfs/dbraw/zinc/04/21/05/569042105.db2.gz SFCIJPZNDSFGMT-AWEZNQCLSA-N 1 2 423.560 2.527 50 0 HFAALO O=C(c1ccc(OC(F)(F)F)cc1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609162 569042421 /nfs/dbraw/zinc/04/24/21/569042421.db2.gz ZLNOLNZBFKBOEF-HNNXBMFYSA-N 1 2 404.454 2.865 50 0 HFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1csc(-c2ccncc2)n1 ZINC000035512084 569043182 /nfs/dbraw/zinc/04/31/82/569043182.db2.gz YUPDSTOYWIYKPD-UHFFFAOYSA-N 1 2 411.506 2.896 50 0 HFAALO COc1ccc(/C=C/C(=O)NCCNc2cc(-n3nc(C)cc3C)nc[nH+]2)cc1OC ZINC000035597300 569045701 /nfs/dbraw/zinc/04/57/01/569045701.db2.gz HEEUPMAIFICLER-SOFGYWHQSA-N 1 2 422.489 2.538 50 0 HFAALO Cn1nc2nc(N3CCN(c4cccc[nH+]4)CC3)nc(-c3ccccc3Cl)c2c1N ZINC000035929794 569066742 /nfs/dbraw/zinc/06/67/42/569066742.db2.gz ZTRZREIZWQKTKK-UHFFFAOYSA-N 1 2 420.908 2.988 50 0 HFAALO CC[C@@H](C)N1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024503 569077535 /nfs/dbraw/zinc/07/75/35/569077535.db2.gz IEWIHKDBDJSWLS-CRAIPNDOSA-N 1 2 411.543 2.561 50 0 HFAALO COc1ccccc1/C=C1\SC(=O)N(CCC(=O)NCCCn2cc[nH+]c2)C1=O ZINC000006660242 569084307 /nfs/dbraw/zinc/08/43/07/569084307.db2.gz QKZWBBLZMIOBIU-LGMDPLHJSA-N 1 2 414.487 2.525 50 0 HFAALO CC(C)CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)COCc2ccccc2)CC1 ZINC000036251461 569120021 /nfs/dbraw/zinc/12/00/21/569120021.db2.gz VJTSVAPHDZGOLR-HSZRJFAPSA-N 1 2 415.578 2.678 50 0 HFAALO CC(C)CCNC(=O)COc1coc(C[NH+]2CCN(c3ccccc3)CC2)cc1=O ZINC000036354194 569147890 /nfs/dbraw/zinc/14/78/90/569147890.db2.gz HORMVVINBOTKOS-UHFFFAOYSA-N 1 2 413.518 2.503 50 0 HFAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000036438454 569182520 /nfs/dbraw/zinc/18/25/20/569182520.db2.gz NCKIICZDMBGKNZ-FPOVZHCZSA-N 1 2 420.575 2.790 50 0 HFAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000036438454 569182521 /nfs/dbraw/zinc/18/25/21/569182521.db2.gz NCKIICZDMBGKNZ-FPOVZHCZSA-N 1 2 420.575 2.790 50 0 HFAALO Cn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2cccnc21 ZINC000065164768 569189370 /nfs/dbraw/zinc/18/93/70/569189370.db2.gz DILPROTWUKPCPJ-UHFFFAOYSA-N 1 2 424.570 2.611 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cn(C)c4ncccc34)CC2)c(C)c1 ZINC000065164724 569189403 /nfs/dbraw/zinc/18/94/03/569189403.db2.gz NLDXFYZHEWYUEG-UHFFFAOYSA-N 1 2 412.559 2.739 50 0 HFAALO O=C(NCc1ccc(F)cc1)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237177 569202760 /nfs/dbraw/zinc/20/27/60/569202760.db2.gz BGSVNUWAHLKESJ-UHFFFAOYSA-N 1 2 415.538 2.702 50 0 HFAALO O=C(NCc1ccc(F)cc1)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237177 569202761 /nfs/dbraw/zinc/20/27/61/569202761.db2.gz BGSVNUWAHLKESJ-UHFFFAOYSA-N 1 2 415.538 2.702 50 0 HFAALO Cc1ccccc1Cc1nc(-c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)no1 ZINC000065255039 569207598 /nfs/dbraw/zinc/20/75/98/569207598.db2.gz FPWNEOKHDNDRMH-UHFFFAOYSA-N 1 2 404.474 2.713 50 0 HFAALO COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)C[NH+]4CCOCC4)c32)c1 ZINC000036619067 569210518 /nfs/dbraw/zinc/21/05/18/569210518.db2.gz GKBDLNRJBRWEON-HNNXBMFYSA-N 1 2 410.474 2.657 50 0 HFAALO Cc1cc(N2CCOCC2)n2nc(C[NH+]3CCC(Cc4ccccc4)CC3)nc2n1 ZINC000065311585 569220968 /nfs/dbraw/zinc/22/09/68/569220968.db2.gz RBRXWKRKQYTSIK-UHFFFAOYSA-N 1 2 406.534 2.724 50 0 HFAALO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921939 569268768 /nfs/dbraw/zinc/26/87/68/569268768.db2.gz YLCBFOSDRMFWQK-JXFKEZNVSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921939 569268770 /nfs/dbraw/zinc/26/87/70/569268770.db2.gz YLCBFOSDRMFWQK-JXFKEZNVSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(N3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000089921939 569268771 /nfs/dbraw/zinc/26/87/71/569268771.db2.gz YLCBFOSDRMFWQK-JXFKEZNVSA-N 1 2 407.518 2.598 50 0 HFAALO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000027550266 569372538 /nfs/dbraw/zinc/37/25/38/569372538.db2.gz CBPKPFMXTOAZCF-HKWRFOASSA-N 1 2 413.543 2.584 50 0 HFAALO C[NH+]1CCN([C@@H](c2ccccc2OC(F)(F)F)C2Sc3ncnn3C2=O)CC1 ZINC000252497047 569387666 /nfs/dbraw/zinc/38/76/66/569387666.db2.gz PXXVXFXDYKMCFD-ZDUSSCGKSA-N 1 2 413.425 2.732 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000078970206 569422457 /nfs/dbraw/zinc/42/24/57/569422457.db2.gz KINFFZRRZXVGPW-IVAOSVALSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000078970206 569422459 /nfs/dbraw/zinc/42/24/59/569422459.db2.gz KINFFZRRZXVGPW-IVAOSVALSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000078970206 569422460 /nfs/dbraw/zinc/42/24/60/569422460.db2.gz KINFFZRRZXVGPW-IVAOSVALSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000078970206 569422462 /nfs/dbraw/zinc/42/24/62/569422462.db2.gz KINFFZRRZXVGPW-IVAOSVALSA-N 1 2 420.642 2.772 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286798 571065275 /nfs/dbraw/zinc/06/52/75/571065275.db2.gz AVKUQQPAVJOEHQ-FQEVSTJZSA-N 1 2 401.507 2.988 50 0 HFAALO CC[C@@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1OC)CC2 ZINC000067291266 571067212 /nfs/dbraw/zinc/06/72/12/571067212.db2.gz JXLMTVYWGAIIBN-CQSZACIVSA-N 1 2 416.547 2.756 50 0 HFAALO CC[C@@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1OC)CC2 ZINC000067291266 571067215 /nfs/dbraw/zinc/06/72/15/571067215.db2.gz JXLMTVYWGAIIBN-CQSZACIVSA-N 1 2 416.547 2.756 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008935916 571163695 /nfs/dbraw/zinc/16/36/95/571163695.db2.gz DJBCRHKCTFFSEI-OAHLLOKOSA-N 1 2 412.515 2.867 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008935916 571163698 /nfs/dbraw/zinc/16/36/98/571163698.db2.gz DJBCRHKCTFFSEI-OAHLLOKOSA-N 1 2 412.515 2.867 50 0 HFAALO O=C(NCC(F)(F)F)c1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000040104970 571165923 /nfs/dbraw/zinc/16/59/23/571165923.db2.gz RMTLUAYZEKJWPA-UHFFFAOYSA-N 1 2 421.423 2.723 50 0 HFAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000040120483 571176624 /nfs/dbraw/zinc/17/66/24/571176624.db2.gz CKAIIMYNBASWID-SFHVURJKSA-N 1 2 411.550 2.577 50 0 HFAALO COc1ccccc1OCCNC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000040158144 571204629 /nfs/dbraw/zinc/20/46/29/571204629.db2.gz HLTIJSWMTBSEKV-UHFFFAOYSA-N 1 2 408.458 2.729 50 0 HFAALO CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccoc2)[NH+]2CCSCC2)c1 ZINC000244986079 571211648 /nfs/dbraw/zinc/21/16/48/571211648.db2.gz JESVVPWPDGTIBP-QGZVFWFLSA-N 1 2 405.545 2.846 50 0 HFAALO O=C(C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC[C@H]1CCCO1 ZINC000245237581 571219281 /nfs/dbraw/zinc/21/92/81/571219281.db2.gz OKSBCNBOCUCTDH-CQSZACIVSA-N 1 2 420.863 2.561 50 0 HFAALO O=C(C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC[C@H]1CCCO1 ZINC000245237581 571219282 /nfs/dbraw/zinc/21/92/82/571219282.db2.gz OKSBCNBOCUCTDH-CQSZACIVSA-N 1 2 420.863 2.561 50 0 HFAALO COc1cccc(CN2C(SCc3ccccc3)=[NH+][C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009486153 571262419 /nfs/dbraw/zinc/26/24/19/571262419.db2.gz AQSSONOTGHCQLM-MOPGFXCFSA-N 1 2 402.541 2.966 50 0 HFAALO Cc1c(C)n(-c2nc3ccccc3s2)c2ncn(CC[NH+]3CCOCC3)c(=N)c12 ZINC000009575994 571269714 /nfs/dbraw/zinc/26/97/14/571269714.db2.gz JVVLLGBHCXCVRR-UHFFFAOYSA-N 1 2 408.531 2.865 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000009981778 571293538 /nfs/dbraw/zinc/29/35/38/571293538.db2.gz WVTINCHGIIDISR-UHFFFAOYSA-N 1 2 417.454 2.716 50 0 HFAALO C[C@@H](Nc1nc(N2CCN(S(C)(=O)=O)CC2)[nH+]c2ccccc21)c1ccccc1 ZINC000000810713 132233469 /nfs/dbraw/zinc/23/34/69/132233469.db2.gz JFXSYJJCDCLNHT-MRXNPFEDSA-N 1 2 411.531 2.885 50 0 HFAALO O=c1cc(-c2ccc(F)cc2)nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000004818159 132289367 /nfs/dbraw/zinc/28/93/67/132289367.db2.gz VDKJOHIOZZABDT-UHFFFAOYSA-N 1 2 408.433 2.627 50 0 HFAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000006840434 132318464 /nfs/dbraw/zinc/31/84/64/132318464.db2.gz JANYHTZECGIIHK-UHFFFAOYSA-N 1 2 423.542 2.850 50 0 HFAALO CC(C)n1c(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc2ccccc2c1=O ZINC000010867689 132346540 /nfs/dbraw/zinc/34/65/40/132346540.db2.gz SIPJUIVWQLJUCM-UHFFFAOYSA-N 1 2 423.542 2.813 50 0 HFAALO Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000012471050 132360996 /nfs/dbraw/zinc/36/09/96/132360996.db2.gz RKZPGPILDKXCEQ-IBGZPJMESA-N 1 2 410.518 2.964 50 0 HFAALO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000012517485 132361571 /nfs/dbraw/zinc/36/15/71/132361571.db2.gz TVSFJXAVPZSOKY-SFHVURJKSA-N 1 2 412.509 2.742 50 0 HFAALO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000035479839 132802141 /nfs/dbraw/zinc/80/21/41/132802141.db2.gz ZJXVMPALWBPHBN-UHFFFAOYSA-N 1 2 413.566 2.875 50 0 HFAALO CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)[NH+]1CCOCC1 ZINC000032784241 519256536 /nfs/dbraw/zinc/25/65/36/519256536.db2.gz KYQAJXREOQPWFL-HXUWFJFHSA-N 1 2 423.557 2.919 50 0 HFAALO CCOc1ncccc1CNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000032803375 521616800 /nfs/dbraw/zinc/61/68/00/521616800.db2.gz SNXPCSJEWQAVPZ-UHFFFAOYSA-N 1 2 402.470 2.655 50 0 HFAALO COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)c1 ZINC000032194192 522237200 /nfs/dbraw/zinc/23/72/00/522237200.db2.gz VRLZEGOSZBKRPH-UHFFFAOYSA-N 1 2 411.439 2.921 50 0 HFAALO CCc1nn2c(ncc3c2ccn(CC[NH+]2CCOCC2)c3=O)c1-c1ccccc1 ZINC000040387963 522711092 /nfs/dbraw/zinc/71/10/92/522711092.db2.gz IQKUGJJCQFOJGJ-UHFFFAOYSA-N 1 2 403.486 2.606 50 0 HFAALO CN(Cc1c(F)cccc1Cl)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000042343951 523153740 /nfs/dbraw/zinc/15/37/40/523153740.db2.gz OUQUBKKCXHMDRL-SFHVURJKSA-N 1 2 401.935 2.828 50 0 HFAALO CN(Cc1c(F)cccc1Cl)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000042343949 523154373 /nfs/dbraw/zinc/15/43/73/523154373.db2.gz OUQUBKKCXHMDRL-GOSISDBHSA-N 1 2 401.935 2.828 50 0 HFAALO COc1ccc(NC(=O)C(=O)NCC2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000043941411 524459922 /nfs/dbraw/zinc/45/99/22/524459922.db2.gz KUOQDBVMPVFVEJ-UHFFFAOYSA-N 1 2 402.882 2.715 50 0 HFAALO O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042497333 526462679 /nfs/dbraw/zinc/46/26/79/526462679.db2.gz LDALXKCFQPRLFU-FQEVSTJZSA-N 1 2 409.534 2.518 50 0 HFAALO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000032836129 526708431 /nfs/dbraw/zinc/70/84/31/526708431.db2.gz JONFKNKBIVXOGO-JOCHJYFZSA-N 1 2 420.513 2.850 50 0 HFAALO O=C(CSc1nc2ccccc2s1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032017647 527064210 /nfs/dbraw/zinc/06/42/10/527064210.db2.gz BJRYYLGTNHIAPG-UHFFFAOYSA-N 1 2 400.529 2.936 50 0 HFAALO O=S(=O)(C[C@@H](CN1CCOCC1)[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000019991362 527180512 /nfs/dbraw/zinc/18/05/12/527180512.db2.gz YSASJWIWVSFWTQ-OAQYLSRUSA-N 1 2 402.560 2.800 50 0 HFAALO O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CC[NH+]1CCOCC1 ZINC000040397391 527470801 /nfs/dbraw/zinc/47/08/01/527470801.db2.gz OWJCSEVJFXYCFU-UHFFFAOYSA-N 1 2 409.877 2.697 50 0 HFAALO CCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697528 557784271 /nfs/dbraw/zinc/78/42/71/557784271.db2.gz ZHHYSPDNSSJRTF-JOCHJYFZSA-N 1 2 405.502 2.584 50 0 HFAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N2CC[C@H](c3ccccc3F)C2)CC1 ZINC000011774967 558274880 /nfs/dbraw/zinc/27/48/80/558274880.db2.gz KPDVYOWFCNJWIL-SFHVURJKSA-N 1 2 414.529 2.840 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)n1CCOC ZINC000011819321 558282426 /nfs/dbraw/zinc/28/24/26/558282426.db2.gz NUBMHWCXYPPXNJ-IBGZPJMESA-N 1 2 420.579 2.705 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)n1CCOC ZINC000011819321 558282429 /nfs/dbraw/zinc/28/24/29/558282429.db2.gz NUBMHWCXYPPXNJ-IBGZPJMESA-N 1 2 420.579 2.705 50 0 HFAALO Cc1c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000019800443 558285641 /nfs/dbraw/zinc/28/56/41/558285641.db2.gz KCXMHHFPTYAVSP-UHFFFAOYSA-N 1 2 406.486 2.569 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)cc1C ZINC000019853017 558295945 /nfs/dbraw/zinc/29/59/45/558295945.db2.gz RAYCSIYHBFXWGA-QFIPXVFZSA-N 1 2 400.567 2.994 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)cc1C ZINC000019853017 558295947 /nfs/dbraw/zinc/29/59/47/558295947.db2.gz RAYCSIYHBFXWGA-QFIPXVFZSA-N 1 2 400.567 2.994 50 0 HFAALO COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCOCC2)cc1 ZINC000019897894 558304195 /nfs/dbraw/zinc/30/41/95/558304195.db2.gz SPDLGISZCUXJRV-FQEVSTJZSA-N 1 2 408.454 2.605 50 0 HFAALO COc1cc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1 ZINC000019957303 558315085 /nfs/dbraw/zinc/31/50/85/558315085.db2.gz KGMGHWUGOJXSDO-UHFFFAOYSA-N 1 2 415.515 2.947 50 0 HFAALO COc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000019973543 558316489 /nfs/dbraw/zinc/31/64/89/558316489.db2.gz CZZWBJGHEZQWDE-UHFFFAOYSA-N 1 2 415.515 2.947 50 0 HFAALO CS(=O)(=O)c1ncc(C[N@@H+](Cc2ccccc2)CC2CC2)n1C[C@@H]1CCCO1 ZINC000012316942 558380312 /nfs/dbraw/zinc/38/03/12/558380312.db2.gz PFWRXZZCHNJFSS-FQEVSTJZSA-N 1 2 403.548 2.878 50 0 HFAALO CS(=O)(=O)c1ncc(C[N@H+](Cc2ccccc2)CC2CC2)n1C[C@@H]1CCCO1 ZINC000012316942 558380313 /nfs/dbraw/zinc/38/03/13/558380313.db2.gz PFWRXZZCHNJFSS-FQEVSTJZSA-N 1 2 403.548 2.878 50 0 HFAALO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000020804356 558416290 /nfs/dbraw/zinc/41/62/90/558416290.db2.gz IKDVNOMGCYPWQJ-QGZVFWFLSA-N 1 2 414.937 2.601 50 0 HFAALO CCN(C(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000020811714 558416406 /nfs/dbraw/zinc/41/64/06/558416406.db2.gz GDBLLDRMBHIZSL-GOSISDBHSA-N 1 2 418.557 2.952 50 0 HFAALO O=C(NCCc1cn2ccccc2[nH+]1)c1coc(CN2CCc3ccccc3C2)n1 ZINC000020997751 558427041 /nfs/dbraw/zinc/42/70/41/558427041.db2.gz BETYINPJVNORIL-UHFFFAOYSA-N 1 2 401.470 2.853 50 0 HFAALO COc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021548809 558441256 /nfs/dbraw/zinc/44/12/56/558441256.db2.gz DJKVZFBGQSVYGG-PKTZIBPZSA-N 1 2 410.514 2.652 50 0 HFAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000021865798 558452680 /nfs/dbraw/zinc/45/26/80/558452680.db2.gz FGUNKJUAZQONOS-AWEZNQCLSA-N 1 2 413.349 2.560 50 0 HFAALO C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000012943957 558487636 /nfs/dbraw/zinc/48/76/36/558487636.db2.gz GPYNDMMXSRNUIP-QFBILLFUSA-N 1 2 411.502 2.908 50 0 HFAALO CC(=O)N1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012987924 558496155 /nfs/dbraw/zinc/49/61/55/558496155.db2.gz IYFXMDSEFIMWIE-SFHVURJKSA-N 1 2 422.529 2.670 50 0 HFAALO CC(=O)N1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000012987924 558496157 /nfs/dbraw/zinc/49/61/57/558496157.db2.gz IYFXMDSEFIMWIE-SFHVURJKSA-N 1 2 422.529 2.670 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c1 ZINC000022914398 558521174 /nfs/dbraw/zinc/52/11/74/558521174.db2.gz BTEPSUPNWBXNCC-NRFANRHFSA-N 1 2 406.530 2.950 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@@H]2CCO)c1 ZINC000022914398 558521177 /nfs/dbraw/zinc/52/11/77/558521177.db2.gz BTEPSUPNWBXNCC-NRFANRHFSA-N 1 2 406.530 2.950 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000022932515 558525042 /nfs/dbraw/zinc/52/50/42/558525042.db2.gz VJRAIPHULKICAJ-HXUWFJFHSA-N 1 2 408.546 2.598 50 0 HFAALO CCCCn1c(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cnc1S(=O)(=O)CC ZINC000023374338 558554189 /nfs/dbraw/zinc/55/41/89/558554189.db2.gz TZWKFSGUNHLIOB-HXUWFJFHSA-N 1 2 404.580 2.966 50 0 HFAALO CCCCn1c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cnc1S(=O)(=O)CC ZINC000023374338 558554191 /nfs/dbraw/zinc/55/41/91/558554191.db2.gz TZWKFSGUNHLIOB-HXUWFJFHSA-N 1 2 404.580 2.966 50 0 HFAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000010909276 558557781 /nfs/dbraw/zinc/55/77/81/558557781.db2.gz NTCKQPWDBGCHCW-UHFFFAOYSA-N 1 2 404.854 2.865 50 0 HFAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C ZINC000010909276 558557783 /nfs/dbraw/zinc/55/77/83/558557783.db2.gz NTCKQPWDBGCHCW-UHFFFAOYSA-N 1 2 404.854 2.865 50 0 HFAALO CCn1c(=S)n(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc1C1CC1 ZINC000023473639 558559206 /nfs/dbraw/zinc/55/92/06/558559206.db2.gz KZAVHJKBCFOXLK-UHFFFAOYSA-N 1 2 401.536 2.815 50 0 HFAALO Cc1cc2oc(=O)cc(CN3CC[NH+]([C@H]4CCS(=O)(=O)C4)CC3)c2cc1C(C)C ZINC000023479577 558559399 /nfs/dbraw/zinc/55/93/99/558559399.db2.gz URBPKTKQFOVZAR-SFHVURJKSA-N 1 2 418.559 2.530 50 0 HFAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3nnnn3C3CC3)CC2)cc1 ZINC000023731397 558571409 /nfs/dbraw/zinc/57/14/09/558571409.db2.gz DBQUNKYLWWHSNA-UHFFFAOYSA-N 1 2 400.552 2.568 50 0 HFAALO COc1cccc(N2CCN([C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000023731833 558571619 /nfs/dbraw/zinc/57/16/19/558571619.db2.gz RVGYZZXISAEGIX-OAQYLSRUSA-N 1 2 422.573 2.550 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1cccc(F)c1 ZINC000024015981 558584615 /nfs/dbraw/zinc/58/46/15/558584615.db2.gz RKQIIPXJGXXLQM-FQEVSTJZSA-N 1 2 417.444 2.735 50 0 HFAALO CCn1c2ccc(C(=O)N3CC[NH+](Cc4ccc(OC)cc4)CC3)cc2nc(C)c1=O ZINC000024118919 558589951 /nfs/dbraw/zinc/58/99/51/558589951.db2.gz NNGHJGXLQWASOS-UHFFFAOYSA-N 1 2 420.513 2.691 50 0 HFAALO O=C(Cn1c(=O)oc2ccccc21)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000024229754 558592795 /nfs/dbraw/zinc/59/27/95/558592795.db2.gz VSEKNRJNHPMXGU-UHFFFAOYSA-N 1 2 419.403 2.958 50 0 HFAALO Brc1ccc(C[NH+]2CCN(c3nnnn3-c3ccccc3)CC2)s1 ZINC000024527490 558600064 /nfs/dbraw/zinc/60/00/64/558600064.db2.gz QYVFUJJREYFPFA-UHFFFAOYSA-N 1 2 405.325 2.809 50 0 HFAALO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000025196633 558634428 /nfs/dbraw/zinc/63/44/28/558634428.db2.gz SAZDUQCKVXBUAB-GOSISDBHSA-N 1 2 400.475 2.993 50 0 HFAALO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nnc(C(F)(F)F)n3C)CC2)c1 ZINC000014241569 558644197 /nfs/dbraw/zinc/64/41/97/558644197.db2.gz JOOYMMKMFAIGFM-UHFFFAOYSA-N 1 2 413.469 2.579 50 0 HFAALO O=C([C@H]1COc2ccccc2O1)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000025920864 558652272 /nfs/dbraw/zinc/65/22/72/558652272.db2.gz VZUWEYXIBUSONC-OAQYLSRUSA-N 1 2 407.445 2.858 50 0 HFAALO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1)CC2 ZINC000026930975 558667261 /nfs/dbraw/zinc/66/72/61/558667261.db2.gz TZXVBJFFLUPXBE-FQEVSTJZSA-N 1 2 423.513 2.692 50 0 HFAALO COc1cc2c(cc1OC)CN(C(=O)C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1)CC2 ZINC000026930975 558667263 /nfs/dbraw/zinc/66/72/63/558667263.db2.gz TZXVBJFFLUPXBE-FQEVSTJZSA-N 1 2 423.513 2.692 50 0 HFAALO CCOC(=O)c1nn(CCc2ccc(OC)cc2)c2c1CN(Cc1[nH]cc[nH+]1)CC2 ZINC000014746748 558669338 /nfs/dbraw/zinc/66/93/38/558669338.db2.gz LNHXLPFWGDYUHH-UHFFFAOYSA-N 1 2 409.490 2.593 50 0 HFAALO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000014795847 558673137 /nfs/dbraw/zinc/67/31/37/558673137.db2.gz IHDWKMSZHRGTGN-UHFFFAOYSA-N 1 2 406.486 2.610 50 0 HFAALO CSc1ncc(Cl)c(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000027614920 558677314 /nfs/dbraw/zinc/67/73/14/558677314.db2.gz CVCBAUZPVWTVLY-UHFFFAOYSA-N 1 2 409.918 2.543 50 0 HFAALO Cc1c(C(=O)N(C)Cc2ccco2)sc2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000015003112 558698312 /nfs/dbraw/zinc/69/83/12/558698312.db2.gz GVHQKWBYTXIVIN-UHFFFAOYSA-N 1 2 415.519 2.609 50 0 HFAALO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000072277577 558703670 /nfs/dbraw/zinc/70/36/70/558703670.db2.gz MYVQOXKBJOFJEJ-RDJZCZTQSA-N 1 2 411.340 2.930 50 0 HFAALO COc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2[nH+]ccn2C)cc1 ZINC000029133711 558710537 /nfs/dbraw/zinc/71/05/37/558710537.db2.gz DOLLTGUSIXQXFQ-YLJYHZDGSA-N 1 2 422.485 2.780 50 0 HFAALO COc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000030324585 558728897 /nfs/dbraw/zinc/72/88/97/558728897.db2.gz QPGBNDHWEMEZIN-UHFFFAOYSA-N 1 2 410.923 2.659 50 0 HFAALO COc1ccc(N2C(=O)C(=O)N(C[NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000030543311 558732233 /nfs/dbraw/zinc/73/22/33/558732233.db2.gz IEUBXAYCMIAYPG-UHFFFAOYSA-N 1 2 407.470 2.903 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000015547589 558743352 /nfs/dbraw/zinc/74/33/52/558743352.db2.gz VIWYDZQRXUOJRG-CQSZACIVSA-N 1 2 407.561 2.865 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000015547589 558743355 /nfs/dbraw/zinc/74/33/55/558743355.db2.gz VIWYDZQRXUOJRG-CQSZACIVSA-N 1 2 407.561 2.865 50 0 HFAALO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000072305039 558757335 /nfs/dbraw/zinc/75/73/35/558757335.db2.gz AWKOLUIXYGKGNI-UYAOXDASSA-N 1 2 408.564 2.881 50 0 HFAALO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000072305039 558757339 /nfs/dbraw/zinc/75/73/39/558757339.db2.gz AWKOLUIXYGKGNI-UYAOXDASSA-N 1 2 408.564 2.881 50 0 HFAALO O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528652 558782060 /nfs/dbraw/zinc/78/20/60/558782060.db2.gz KHSFWOULYRQEHP-UHFFFAOYSA-N 1 2 410.478 2.550 50 0 HFAALO O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528652 558782062 /nfs/dbraw/zinc/78/20/62/558782062.db2.gz KHSFWOULYRQEHP-UHFFFAOYSA-N 1 2 410.478 2.550 50 0 HFAALO CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000036007107 558796529 /nfs/dbraw/zinc/79/65/29/558796529.db2.gz JRFRINFWRXAJRQ-UHFFFAOYSA-N 1 2 417.531 2.664 50 0 HFAALO O=C(c1ccccc1Br)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038530381 558812189 /nfs/dbraw/zinc/81/21/89/558812189.db2.gz JMCRQSZOXMTIGI-UHFFFAOYSA-N 1 2 416.323 2.802 50 0 HFAALO O=C(c1ccccc1Br)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038530381 558812192 /nfs/dbraw/zinc/81/21/92/558812192.db2.gz JMCRQSZOXMTIGI-UHFFFAOYSA-N 1 2 416.323 2.802 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 ZINC000039537945 558822262 /nfs/dbraw/zinc/82/22/62/558822262.db2.gz XSUJAURLEZYGPU-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 ZINC000039537945 558822265 /nfs/dbraw/zinc/82/22/65/558822265.db2.gz XSUJAURLEZYGPU-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO COc1ccc(-c2noc(COc3ccccc3C(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000033012965 558832725 /nfs/dbraw/zinc/83/27/25/558832725.db2.gz YCBUXAAGYJSDIU-UHFFFAOYSA-N 1 2 408.458 2.712 50 0 HFAALO CCOc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cc1 ZINC000071961583 558859532 /nfs/dbraw/zinc/85/95/32/558859532.db2.gz KKVQWNCIXUUFDT-UHFFFAOYSA-N 1 2 410.518 2.763 50 0 HFAALO NC(=O)COc1ccccc1C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055133006 558873875 /nfs/dbraw/zinc/87/38/75/558873875.db2.gz KOCOCIYZPNKVDA-UHFFFAOYSA-N 1 2 405.454 2.877 50 0 HFAALO NC(=O)COc1ccccc1C[N@@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055133006 558873879 /nfs/dbraw/zinc/87/38/79/558873879.db2.gz KOCOCIYZPNKVDA-UHFFFAOYSA-N 1 2 405.454 2.877 50 0 HFAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000058158775 558904039 /nfs/dbraw/zinc/90/40/39/558904039.db2.gz CVTPALZLVLQEQB-UHFFFAOYSA-N 1 2 424.545 2.683 50 0 HFAALO COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000058316752 558919392 /nfs/dbraw/zinc/91/93/92/558919392.db2.gz TXVNSQXBWIVWIV-UHFFFAOYSA-N 1 2 423.922 2.811 50 0 HFAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cccn3)nc(C)[nH+]2)CC1 ZINC000067613031 558989022 /nfs/dbraw/zinc/98/90/22/558989022.db2.gz DRKPRLNRHVFBGD-UHFFFAOYSA-N 1 2 412.881 2.595 50 0 HFAALO O=C(CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1)NCCc1ccc(F)cc1 ZINC000096833083 558993743 /nfs/dbraw/zinc/99/37/43/558993743.db2.gz AFJKKSGLLGNLHJ-UHFFFAOYSA-N 1 2 419.928 2.834 50 0 HFAALO COC(=O)C1CC[NH+]([C@H](c2ccc(F)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023157475 559022409 /nfs/dbraw/zinc/02/24/09/559022409.db2.gz GCLMOVWQPBJKIN-OAHLLOKOSA-N 1 2 404.467 2.918 50 0 HFAALO COc1cccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC3(CC2)OCCO3)c1 ZINC000023157874 559022526 /nfs/dbraw/zinc/02/25/26/559022526.db2.gz MIAQJYKHUGWNED-MRXNPFEDSA-N 1 2 416.503 2.742 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000033364293 559068955 /nfs/dbraw/zinc/06/89/55/559068955.db2.gz HTCZDIAMROOUIB-CAPFRKAQSA-N 1 2 413.905 2.559 50 0 HFAALO COCCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000096280264 559108563 /nfs/dbraw/zinc/10/85/63/559108563.db2.gz KBBYQQFFTJVRMB-HXUWFJFHSA-N 1 2 421.969 2.809 50 0 HFAALO O=C(CCc1n[nH]c(=S)[nH]c1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014070711 559148689 /nfs/dbraw/zinc/14/86/89/559148689.db2.gz DKRZKINZIOLUPL-UHFFFAOYSA-N 1 2 409.515 2.670 50 0 HFAALO O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023640084 559178435 /nfs/dbraw/zinc/17/84/35/559178435.db2.gz DGQFWLPRYRSTMU-UHFFFAOYSA-N 1 2 413.827 2.865 50 0 HFAALO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719601 559255036 /nfs/dbraw/zinc/25/50/36/559255036.db2.gz RVMBQFCTMVYJPT-ZDUSSCGKSA-N 1 2 411.524 2.657 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C ZINC000252670364 559279045 /nfs/dbraw/zinc/27/90/45/559279045.db2.gz KINFFZRRZXVGPW-CGXNFDGLSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C ZINC000252670364 559279047 /nfs/dbraw/zinc/27/90/47/559279047.db2.gz KINFFZRRZXVGPW-CGXNFDGLSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)C(C)(C)C1 ZINC000252670364 559279049 /nfs/dbraw/zinc/27/90/49/559279049.db2.gz KINFFZRRZXVGPW-CGXNFDGLSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)C(C)(C)C1 ZINC000252670364 559279050 /nfs/dbraw/zinc/27/90/50/559279050.db2.gz KINFFZRRZXVGPW-CGXNFDGLSA-N 1 2 420.642 2.772 50 0 HFAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000101490507 560795913 /nfs/dbraw/zinc/79/59/13/560795913.db2.gz UBNTZSWHYPQXLT-MRXNPFEDSA-N 1 2 407.898 2.990 50 0 HFAALO COCC[N@@H+](CC(=O)Nc1cccc(C)c1C)C[C@H](O)COc1ccc(F)cc1 ZINC000024541232 560844729 /nfs/dbraw/zinc/84/47/29/560844729.db2.gz MZRSXGVVKFVVFX-IBGZPJMESA-N 1 2 404.482 2.769 50 0 HFAALO COCC[N@H+](CC(=O)Nc1cccc(C)c1C)C[C@H](O)COc1ccc(F)cc1 ZINC000024541232 560844730 /nfs/dbraw/zinc/84/47/30/560844730.db2.gz MZRSXGVVKFVVFX-IBGZPJMESA-N 1 2 404.482 2.769 50 0 HFAALO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000046884176 560878631 /nfs/dbraw/zinc/87/86/31/560878631.db2.gz QNEBQHKJOLXPEY-VXGBXAGGSA-N 1 2 405.720 2.707 50 0 HFAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCc2nnc(-c3ccsc3)o2)CC1 ZINC000047091710 560880138 /nfs/dbraw/zinc/88/01/38/560880138.db2.gz AINQVPRABDNKKR-UHFFFAOYSA-N 1 2 401.492 2.680 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2csc(-c3cnn(C)c3)n2)cc1 ZINC000048235293 568432854 /nfs/dbraw/zinc/43/28/54/568432854.db2.gz DNSGIIHUDPKMPB-GOSISDBHSA-N 1 2 411.531 2.655 50 0 HFAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000048250020 568434203 /nfs/dbraw/zinc/43/42/03/568434203.db2.gz YMHVITBXAJMTGC-HXUWFJFHSA-N 1 2 405.506 2.549 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cccc(OCCn2cccn2)c1 ZINC000048290606 568435173 /nfs/dbraw/zinc/43/51/73/568435173.db2.gz XJLCNXVTRPGYCP-UHFFFAOYSA-N 1 2 422.489 2.515 50 0 HFAALO CC(C)[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cnn(C)c1 ZINC000048290769 568435192 /nfs/dbraw/zinc/43/51/92/568435192.db2.gz ZRPYDXNWQFFRPH-UHFFFAOYSA-N 1 2 421.427 2.869 50 0 HFAALO CC(C)[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1cnn(C)c1 ZINC000048290769 568435194 /nfs/dbraw/zinc/43/51/94/568435194.db2.gz ZRPYDXNWQFFRPH-UHFFFAOYSA-N 1 2 421.427 2.869 50 0 HFAALO Cc1ccccc1OCCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000048333530 568439642 /nfs/dbraw/zinc/43/96/42/568439642.db2.gz MWQVTIUSRDUDHX-FQEVSTJZSA-N 1 2 401.551 2.699 50 0 HFAALO C[NH+](C)CCN(C(=O)CS(=O)(=O)c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000012342189 568484751 /nfs/dbraw/zinc/48/47/51/568484751.db2.gz MRFNXPREFKTROG-UHFFFAOYSA-N 1 2 421.519 2.804 50 0 HFAALO CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1OCC ZINC000024648871 568512578 /nfs/dbraw/zinc/51/25/78/568512578.db2.gz LGSGVNSJYFVXCU-UHFFFAOYSA-N 1 2 423.473 2.775 50 0 HFAALO C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)n1cc[nH+]c1-c1ccccc1 ZINC000095430245 568608984 /nfs/dbraw/zinc/60/89/84/568608984.db2.gz QILKFQQVJBWQRW-PMACEKPBSA-N 1 2 423.561 2.656 50 0 HFAALO O=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000020489647 568614321 /nfs/dbraw/zinc/61/43/21/568614321.db2.gz FKVAHIFCSGQBTI-UHFFFAOYSA-N 1 2 415.497 2.778 50 0 HFAALO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000095464764 568622765 /nfs/dbraw/zinc/62/27/65/568622765.db2.gz SSVLQTRKVTVFFY-LJQANCHMSA-N 1 2 424.526 2.794 50 0 HFAALO COc1ccc(-c2n[nH]c(C)c2CC(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000095479039 568632133 /nfs/dbraw/zinc/63/21/33/568632133.db2.gz UUIROPCXSKKABZ-UHFFFAOYSA-N 1 2 419.529 2.718 50 0 HFAALO O=C([C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc2O1)N1CCOCC1 ZINC000095948706 568665568 /nfs/dbraw/zinc/66/55/68/568665568.db2.gz KSQFPEQMXKZFPA-JOCHJYFZSA-N 1 2 418.497 2.558 50 0 HFAALO O=C([C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)c2ccccc2O1)N1CCOCC1 ZINC000095948707 568665650 /nfs/dbraw/zinc/66/56/50/568665650.db2.gz KSQFPEQMXKZFPA-QFIPXVFZSA-N 1 2 418.497 2.558 50 0 HFAALO O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCc2ccccc2C1 ZINC000095950329 568667409 /nfs/dbraw/zinc/66/74/09/568667409.db2.gz UGPIFBAKBLUWSW-UHFFFAOYSA-N 1 2 404.436 2.807 50 0 HFAALO O=C(NCCn1ccccc1=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000095965229 568670763 /nfs/dbraw/zinc/67/07/63/568670763.db2.gz YCZUVMGJDHRZSQ-GOSISDBHSA-N 1 2 404.308 2.564 50 0 HFAALO Cn1c(CCCCCNC(=O)c2cc(F)ccc2-n2cnnn2)[nH+]c2ccccc21 ZINC000096223647 568706374 /nfs/dbraw/zinc/70/63/74/568706374.db2.gz LVJMHEKAOLNAAX-UHFFFAOYSA-N 1 2 407.453 2.831 50 0 HFAALO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000229798179 568715246 /nfs/dbraw/zinc/71/52/46/568715246.db2.gz PIYYNHRXLHZNCZ-SVMVAKDDSA-N 1 2 424.545 2.766 50 0 HFAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000025171142 568758417 /nfs/dbraw/zinc/75/84/17/568758417.db2.gz YWWXFUTWCWMBKU-UHFFFAOYSA-N 1 2 424.526 2.971 50 0 HFAALO O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000057416633 568834353 /nfs/dbraw/zinc/83/43/53/568834353.db2.gz SHOJMZDUYDATFN-CQSZACIVSA-N 1 2 402.857 2.576 50 0 HFAALO COc1ccc([C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c2[nH+]ccn2C)cc1 ZINC000012551408 568853686 /nfs/dbraw/zinc/85/36/86/568853686.db2.gz QEOPQUOMSLGNLO-OAQYLSRUSA-N 1 2 417.469 2.504 50 0 HFAALO CCCCn1c2nc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)n(CC)c2c(=O)[nH]c1=O ZINC000012559073 568856917 /nfs/dbraw/zinc/85/69/17/568856917.db2.gz WVNKVXNNNHWGAN-LBPRGKRZSA-N 1 2 405.449 2.835 50 0 HFAALO COc1ccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012559892 568857301 /nfs/dbraw/zinc/85/73/01/568857301.db2.gz JUEBEILQBQLKFL-LJQANCHMSA-N 1 2 412.877 2.718 50 0 HFAALO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)cc1 ZINC000003256578 568868541 /nfs/dbraw/zinc/86/85/41/568868541.db2.gz AVXNNXNWGKFNJD-UHFFFAOYSA-N 1 2 417.531 2.582 50 0 HFAALO CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000058157304 568893619 /nfs/dbraw/zinc/89/36/19/568893619.db2.gz DBEJGHBPAZUHCC-LLVKDONJSA-N 1 2 402.720 2.889 50 0 HFAALO CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000058157304 568893620 /nfs/dbraw/zinc/89/36/20/568893620.db2.gz DBEJGHBPAZUHCC-LLVKDONJSA-N 1 2 402.720 2.889 50 0 HFAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)cn2c1 ZINC000012769835 568950789 /nfs/dbraw/zinc/95/07/89/568950789.db2.gz LNLDCLVDJXRYDT-NRFANRHFSA-N 1 2 413.499 2.529 50 0 HFAALO CC[C@@H](c1nnc(SCC(=O)NC[C@@H]2CCCO2)n1Cc1ccccc1)[NH+](C)C ZINC000004195229 568951103 /nfs/dbraw/zinc/95/11/03/568951103.db2.gz JBCJNEFNZROGIW-ROUUACIJSA-N 1 2 417.579 2.726 50 0 HFAALO O=C(CCCNC(=O)c1cccs1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000012779439 568957072 /nfs/dbraw/zinc/95/70/72/568957072.db2.gz TVZRQMCILCUBOW-OAHLLOKOSA-N 1 2 407.561 2.509 50 0 HFAALO Cc1ccccc1N(CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000008013597 568968557 /nfs/dbraw/zinc/96/85/57/568968557.db2.gz JSZHGLGWQNBRAG-QGZVFWFLSA-N 1 2 412.515 2.824 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(Cl)cc1 ZINC000008118099 568974348 /nfs/dbraw/zinc/97/43/48/568974348.db2.gz TUYSJGURYVMGKZ-KRWDZBQOSA-N 1 2 407.861 2.840 50 0 HFAALO CCOC(=O)[C@H]1CCCN(C(=O)CCn2c3ccc(F)cc3c3c2CC[N@@H+](C)C3)C1 ZINC000085393353 568984979 /nfs/dbraw/zinc/98/49/79/568984979.db2.gz JYTUYWLCLQHMRD-INIZCTEOSA-N 1 2 415.509 2.960 50 0 HFAALO CCOC(=O)[C@H]1CCCN(C(=O)CCn2c3ccc(F)cc3c3c2CC[N@H+](C)C3)C1 ZINC000085393353 568984981 /nfs/dbraw/zinc/98/49/81/568984981.db2.gz JYTUYWLCLQHMRD-INIZCTEOSA-N 1 2 415.509 2.960 50 0 HFAALO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000008324747 568991167 /nfs/dbraw/zinc/99/11/67/568991167.db2.gz KIXMKSVXMKXCIJ-JOCHJYFZSA-N 1 2 418.603 2.899 50 0 HFAALO COc1ccc(C(=O)[C@H]2[C@@H]3[C@@H](C(=O)[C@@H]4OC[C@H]3O4)[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000038573699 569001693 /nfs/dbraw/zinc/00/16/93/569001693.db2.gz BWEZJYRDDFXJQK-UBOCLRPJSA-N 1 2 403.434 2.844 50 0 biogenic HFAALO COc1ccc(C(=O)[C@H]2[C@@H]3[C@@H](C(=O)[C@@H]4OC[C@H]3O4)[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000038573699 569001696 /nfs/dbraw/zinc/00/16/96/569001696.db2.gz BWEZJYRDDFXJQK-UBOCLRPJSA-N 1 2 403.434 2.844 50 0 biogenic HFAALO O=C(N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)C1(c2ccccc2)CCOCC1 ZINC000016985299 569005115 /nfs/dbraw/zinc/00/51/15/569005115.db2.gz AWBSJQKKPIYJST-UHFFFAOYSA-N 1 2 408.498 2.808 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)NC3CCCCC3)CC2)cc1F ZINC000012822859 569006519 /nfs/dbraw/zinc/00/65/19/569006519.db2.gz NGSNIAWNLGKZOI-UHFFFAOYSA-N 1 2 420.529 2.501 50 0 HFAALO COc1ccccc1-n1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cn1 ZINC000104461245 569008654 /nfs/dbraw/zinc/00/86/54/569008654.db2.gz JSGVBSQJMLVERR-JOCHJYFZSA-N 1 2 421.545 2.653 50 0 HFAALO COc1ccccc1-n1cc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cn1 ZINC000104461245 569008655 /nfs/dbraw/zinc/00/86/55/569008655.db2.gz JSGVBSQJMLVERR-JOCHJYFZSA-N 1 2 421.545 2.653 50 0 HFAALO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(OC)c1 ZINC000012887628 569019653 /nfs/dbraw/zinc/01/96/53/569019653.db2.gz QHRCRNYWDATKBZ-UHFFFAOYSA-N 1 2 403.523 2.757 50 0 HFAALO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000012915948 569022576 /nfs/dbraw/zinc/02/25/76/569022576.db2.gz CEESBFBRJHWTTG-YADHBBJMSA-N 1 2 420.513 2.713 50 0 HFAALO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000012915948 569022577 /nfs/dbraw/zinc/02/25/77/569022577.db2.gz CEESBFBRJHWTTG-YADHBBJMSA-N 1 2 420.513 2.713 50 0 HFAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000053517035 569031216 /nfs/dbraw/zinc/03/12/16/569031216.db2.gz BUTZRDYCRZUIBM-CQSZACIVSA-N 1 2 413.909 2.967 50 0 HFAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000229659227 569040655 /nfs/dbraw/zinc/04/06/55/569040655.db2.gz PGMDJWKIMOFXBO-XGHQBKJUSA-N 1 2 424.545 2.772 50 0 HFAALO COc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000012975666 569042023 /nfs/dbraw/zinc/04/20/23/569042023.db2.gz SFCIJPZNDSFGMT-CQSZACIVSA-N 1 2 423.560 2.527 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000245326900 569055921 /nfs/dbraw/zinc/05/59/21/569055921.db2.gz NCPXALZWXBXALK-IVAOSVALSA-N 1 2 404.466 2.839 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000245326900 569055922 /nfs/dbraw/zinc/05/59/22/569055922.db2.gz NCPXALZWXBXALK-IVAOSVALSA-N 1 2 404.466 2.839 50 0 HFAALO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccs2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000054120820 569059409 /nfs/dbraw/zinc/05/94/09/569059409.db2.gz REWRVMSBXKGXPX-HZPDHXFCSA-N 1 2 415.964 2.831 50 0 HFAALO O=S1(=O)CC[C@@H]([N@H+](Cc2cccs2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000054120820 569059410 /nfs/dbraw/zinc/05/94/10/569059410.db2.gz REWRVMSBXKGXPX-HZPDHXFCSA-N 1 2 415.964 2.831 50 0 HFAALO CCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000035807187 569060827 /nfs/dbraw/zinc/06/08/27/569060827.db2.gz ITYQKDZJVSMQCE-UHFFFAOYSA-N 1 2 408.955 2.809 50 0 HFAALO CC[C@@H](C)N1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024501 569077531 /nfs/dbraw/zinc/07/75/31/569077531.db2.gz IEWIHKDBDJSWLS-QAPCUYQASA-N 1 2 411.543 2.561 50 0 HFAALO C[N@@H+]1CCN2c3c(F)cccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000036056367 569084506 /nfs/dbraw/zinc/08/45/06/569084506.db2.gz TVMRODHVKUWYIA-HTAPYJJXSA-N 1 2 408.433 2.612 50 0 HFAALO C[N@H+]1CCN2c3c(F)cccc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000036056367 569084507 /nfs/dbraw/zinc/08/45/07/569084507.db2.gz TVMRODHVKUWYIA-HTAPYJJXSA-N 1 2 408.433 2.612 50 0 HFAALO CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)ccc21 ZINC000065026928 569155777 /nfs/dbraw/zinc/15/57/77/569155777.db2.gz DBEJVGFVEBTOBO-UHFFFAOYSA-N 1 2 421.541 2.961 50 0 HFAALO CCn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccccc3C)CC2)c2cccnc21 ZINC000065164818 569189364 /nfs/dbraw/zinc/18/93/64/569189364.db2.gz WSJJLZNOECCZIS-UHFFFAOYSA-N 1 2 412.559 2.914 50 0 HFAALO CCc1noc(-c2ccc(SCC(=O)N3CCN(c4cccc[nH+]4)CC3)nc2)n1 ZINC000065185802 569192026 /nfs/dbraw/zinc/19/20/26/569192026.db2.gz OBBIYMIEZZYRNU-UHFFFAOYSA-N 1 2 410.503 2.530 50 0 HFAALO Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000065209758 569196566 /nfs/dbraw/zinc/19/65/66/569196566.db2.gz OHOXRVZKWTUHKM-UHFFFAOYSA-N 1 2 404.514 2.969 50 0 HFAALO COc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCCC5)n4)ccn3n2)cc1 ZINC000065235968 569202550 /nfs/dbraw/zinc/20/25/50/569202550.db2.gz DOUYPCBPDLHSQA-UHFFFAOYSA-N 1 2 420.473 2.589 50 0 HFAALO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000007141043 569225545 /nfs/dbraw/zinc/22/55/45/569225545.db2.gz XGDSYGBCGLCHKA-INIZCTEOSA-N 1 2 416.528 2.719 50 0 HFAALO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000007141043 569225547 /nfs/dbraw/zinc/22/55/47/569225547.db2.gz XGDSYGBCGLCHKA-INIZCTEOSA-N 1 2 416.528 2.719 50 0 HFAALO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009884310 569251315 /nfs/dbraw/zinc/25/13/15/569251315.db2.gz LCBIFJDIOXIIOL-AWEZNQCLSA-N 1 2 423.542 2.980 50 0 HFAALO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000009884310 569251316 /nfs/dbraw/zinc/25/13/16/569251316.db2.gz LCBIFJDIOXIIOL-AWEZNQCLSA-N 1 2 423.542 2.980 50 0 HFAALO CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC([N@@H+]3CCn4ccnc4C3)CC2)c1 ZINC000089661565 569262066 /nfs/dbraw/zinc/26/20/66/569262066.db2.gz BMISWPCIBLJWTP-UHFFFAOYSA-N 1 2 424.549 2.924 50 0 HFAALO CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC([N@H+]3CCn4ccnc4C3)CC2)c1 ZINC000089661565 569262067 /nfs/dbraw/zinc/26/20/67/569262067.db2.gz BMISWPCIBLJWTP-UHFFFAOYSA-N 1 2 424.549 2.924 50 0 HFAALO CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC(N3CCn4cc[nH+]c4C3)CC2)c1 ZINC000089661565 569262068 /nfs/dbraw/zinc/26/20/68/569262068.db2.gz BMISWPCIBLJWTP-UHFFFAOYSA-N 1 2 424.549 2.924 50 0 HFAALO Cc1nn(C)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019584010 569423905 /nfs/dbraw/zinc/42/39/05/569423905.db2.gz WZBVAUKRYMCMDX-UHFFFAOYSA-N 1 2 410.543 2.824 50 0 HFAALO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000008532930 571074828 /nfs/dbraw/zinc/07/48/28/571074828.db2.gz OBBZWSIJVFNTOA-UHFFFAOYSA-N 1 2 400.445 2.830 50 0 HFAALO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000008532930 571074830 /nfs/dbraw/zinc/07/48/30/571074830.db2.gz OBBZWSIJVFNTOA-UHFFFAOYSA-N 1 2 400.445 2.830 50 0 HFAALO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cn2)n1 ZINC000040121138 571177251 /nfs/dbraw/zinc/17/72/51/571177251.db2.gz SKKGPIGWEHHNSJ-NRFANRHFSA-N 1 2 420.517 2.907 50 0 HFAALO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cn2)n1 ZINC000040121138 571177252 /nfs/dbraw/zinc/17/72/52/571177252.db2.gz SKKGPIGWEHHNSJ-NRFANRHFSA-N 1 2 420.517 2.907 50 0 HFAALO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc4[nH]c(C5CCC5)[nH+]c4c3)cnc21 ZINC000070012936 571254295 /nfs/dbraw/zinc/25/42/95/571254295.db2.gz XKUUTJWNWZCRNG-UHFFFAOYSA-N 1 2 418.457 2.891 50 0 HFAALO Cc1ccc(C)c(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000009526822 571265924 /nfs/dbraw/zinc/26/59/24/571265924.db2.gz HTUSRQORDBTFNR-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccc(Cl)cc1 ZINC000009526900 571266024 /nfs/dbraw/zinc/26/60/24/571266024.db2.gz FTTBOIPNEPCNJZ-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO COc1ccccc1CN1C(SCc2ccccc2)=[NH+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000009530810 571266868 /nfs/dbraw/zinc/26/68/68/571266868.db2.gz WTCPXCIOXJRJAN-MSOLQXFVSA-N 1 2 402.541 2.966 50 0 HFAALO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070641054 571270810 /nfs/dbraw/zinc/27/08/10/571270810.db2.gz LHMXUZXEFLRVBW-UHFFFAOYSA-N 1 2 402.380 2.644 50 0 HFAALO O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000006586858 132311924 /nfs/dbraw/zinc/31/19/24/132311924.db2.gz NKVMZFYBUKMGHC-SFHVURJKSA-N 1 2 412.921 2.936 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1ccccc1F ZINC000006776060 132315588 /nfs/dbraw/zinc/31/55/88/132315588.db2.gz VOQMEKSPLJDTRR-UHFFFAOYSA-N 1 2 406.527 2.549 50 0 HFAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012224536 132357302 /nfs/dbraw/zinc/35/73/02/132357302.db2.gz YHTXAKMOOUMQLT-UHFFFAOYSA-N 1 2 403.486 2.911 50 0 HFAALO CC(=O)N1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000020598640 519587570 /nfs/dbraw/zinc/58/75/70/519587570.db2.gz OAYLHKXDISFGIO-UHFFFAOYSA-N 1 2 418.497 2.991 50 0 HFAALO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000042687272 519867316 /nfs/dbraw/zinc/86/73/16/519867316.db2.gz NDCBHYNRRCFFKZ-VIFPVBQESA-N 1 2 407.383 2.947 50 0 HFAALO COc1cc(OC)cc([C@H](NC(=O)[C@H]2COc3ccccc3C2)c2[nH+]ccn2C)c1 ZINC000032843510 522883532 /nfs/dbraw/zinc/88/35/32/522883532.db2.gz KSHMMTQVFUDXNT-UTKZUKDTSA-N 1 2 407.470 2.894 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000022877348 524828756 /nfs/dbraw/zinc/82/87/56/524828756.db2.gz XVOKSJIGPFNSTA-UHFFFAOYSA-N 1 2 417.937 2.791 50 0 HFAALO Cc1cc(N2CCN(C(=O)CCc3nc(C(C)(C)C)no3)CC2)nc(C(C)C)[nH+]1 ZINC000032821747 525073030 /nfs/dbraw/zinc/07/30/30/525073030.db2.gz TUQWMKDJWMNCAQ-UHFFFAOYSA-N 1 2 400.527 2.870 50 0 HFAALO COc1ccc2c(CC(=O)N3CCN(Cc4cn5ccccc5[nH+]4)CC3)coc2c1 ZINC000032836131 525499434 /nfs/dbraw/zinc/49/94/34/525499434.db2.gz GKIMKWHUVUWSJY-UHFFFAOYSA-N 1 2 404.470 2.976 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NC[C@@H](c3ccccc3)[NH+]3CCOCC3)c(C)n2n1 ZINC000030701652 525670417 /nfs/dbraw/zinc/67/04/17/525670417.db2.gz CZLYTIKUAHYMHM-QFIPXVFZSA-N 1 2 421.545 2.777 50 0 HFAALO O=C(NCC[NH+]1CCN(C(=O)c2ccsc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000044453522 526313331 /nfs/dbraw/zinc/31/33/31/526313331.db2.gz AAMGHEPJFIVRIZ-UHFFFAOYSA-N 1 2 401.576 2.839 50 0 HFAALO O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000043751488 526410462 /nfs/dbraw/zinc/41/04/62/526410462.db2.gz PEBRCFJXIZQFIC-UHFFFAOYSA-N 1 2 406.433 2.562 50 0 HFAALO O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032876383 526561732 /nfs/dbraw/zinc/56/17/32/526561732.db2.gz CMLYQCCJFGBRFY-LJQANCHMSA-N 1 2 421.497 2.651 50 0 HFAALO O=C(C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)N1CCC(Cc2ccccc2)CC1 ZINC000031557520 526757168 /nfs/dbraw/zinc/75/71/68/526757168.db2.gz XCIJODSUZQPNGU-QFIPXVFZSA-N 1 2 409.530 2.842 50 0 HFAALO O=C(C[N@H+]1CCC[C@H]1C(=O)NCc1ccco1)N1CCC(Cc2ccccc2)CC1 ZINC000031557520 526757174 /nfs/dbraw/zinc/75/71/74/526757174.db2.gz XCIJODSUZQPNGU-QFIPXVFZSA-N 1 2 409.530 2.842 50 0 HFAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000052689015 526782415 /nfs/dbraw/zinc/78/24/15/526782415.db2.gz BMBQAVIYQODBKG-UHFFFAOYSA-N 1 2 419.407 2.636 50 0 HFAALO O=C1C[C@@H](N2CC[NH+](Cc3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020602314 527017959 /nfs/dbraw/zinc/01/79/59/527017959.db2.gz LVWZZFZPZPGRFX-LJQANCHMSA-N 1 2 401.869 2.929 50 0 HFAALO O=C(Cn1c(C[NH+]2CCCCC2)nc2ccccc2c1=O)Nc1ccc2c(c1)OCO2 ZINC000032859841 527356289 /nfs/dbraw/zinc/35/62/89/527356289.db2.gz BEBAMMISBLRNPT-UHFFFAOYSA-N 1 2 420.469 2.750 50 0 HFAALO COc1cccc(CN2CCO[C@H](C[NH+]3CCN(C(=O)c4ccc(C)cc4)CC3)C2)c1 ZINC000034691747 557372075 /nfs/dbraw/zinc/37/20/75/557372075.db2.gz ZPUYLRFBLKJMIL-XMMPIXPASA-N 1 2 423.557 2.662 50 0 HFAALO COc1cccc(C[N@@H+]2CCO[C@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)c1 ZINC000034691747 557372077 /nfs/dbraw/zinc/37/20/77/557372077.db2.gz ZPUYLRFBLKJMIL-XMMPIXPASA-N 1 2 423.557 2.662 50 0 HFAALO COc1cccc(C[N@H+]2CCO[C@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)c1 ZINC000034691747 557372081 /nfs/dbraw/zinc/37/20/81/557372081.db2.gz ZPUYLRFBLKJMIL-XMMPIXPASA-N 1 2 423.557 2.662 50 0 HFAALO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4cccnc4)CC3)nc2)cc1 ZINC000034682145 557384020 /nfs/dbraw/zinc/38/40/20/557384020.db2.gz INYLOUOAFUCSGH-UHFFFAOYSA-N 1 2 423.542 2.908 50 0 HFAALO CCCCCCOc1ccc(N2C(=O)C[C@@H](SC[C@H]([NH3+])C(=O)OCC)C2=O)cc1 ZINC000004682426 557580760 /nfs/dbraw/zinc/58/07/60/557580760.db2.gz NOBGEUNIDGHZMI-ZWKOTPCHSA-N 1 2 422.547 2.901 50 0 biogenic HFAALO CCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697525 557784242 /nfs/dbraw/zinc/78/42/42/557784242.db2.gz ZHHYSPDNSSJRTF-QFIPXVFZSA-N 1 2 405.502 2.584 50 0 HFAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019852599 558295903 /nfs/dbraw/zinc/29/59/03/558295903.db2.gz WHIPHDLOPUWVHO-UHFFFAOYSA-N 1 2 412.515 2.633 50 0 HFAALO COc1ccc(CNC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)cc1OC ZINC000019853448 558296122 /nfs/dbraw/zinc/29/61/22/558296122.db2.gz FFMMIICBYCYISQ-UHFFFAOYSA-N 1 2 412.515 2.814 50 0 HFAALO COc1ccc(CNC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)cc1OC ZINC000019853448 558296125 /nfs/dbraw/zinc/29/61/25/558296125.db2.gz FFMMIICBYCYISQ-UHFFFAOYSA-N 1 2 412.515 2.814 50 0 HFAALO O=C(NCCc1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2)c1ccco1 ZINC000019953457 558315003 /nfs/dbraw/zinc/31/50/03/558315003.db2.gz FOMRYAWZPAEPSN-UHFFFAOYSA-N 1 2 417.872 2.694 50 0 HFAALO O=C(NCCc1nnc2n1CC[N@H+](Cc1c(F)cccc1Cl)CC2)c1ccco1 ZINC000019953457 558315004 /nfs/dbraw/zinc/31/50/04/558315004.db2.gz FOMRYAWZPAEPSN-UHFFFAOYSA-N 1 2 417.872 2.694 50 0 HFAALO CCOc1cc(C[NH+]2CCN(C(=O)COc3ccc(OC)cc3)CC2)ccc1OC ZINC000019972662 558316278 /nfs/dbraw/zinc/31/62/78/558316278.db2.gz RNVDNVMVIOZLSW-UHFFFAOYSA-N 1 2 414.502 2.826 50 0 HFAALO O=C(c1cccs1)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020167749 558343164 /nfs/dbraw/zinc/34/31/64/558343164.db2.gz OHCKYJQEQDENBW-GOSISDBHSA-N 1 2 413.543 2.899 50 0 HFAALO O=C(c1cc2c(nc3ccccn3c2=O)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020312409 558355040 /nfs/dbraw/zinc/35/50/40/558355040.db2.gz MUXLAABGWKQDJD-UHFFFAOYSA-N 1 2 404.495 2.867 50 0 HFAALO C[N@@H+]1CCc2c(sc3nc(N4CCOCC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020393463 558359328 /nfs/dbraw/zinc/35/93/28/558359328.db2.gz HIZZVELXKQMCAY-UHFFFAOYSA-N 1 2 416.934 2.925 50 0 HFAALO C[N@H+]1CCc2c(sc3nc(N4CCOCC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000020393463 558359331 /nfs/dbraw/zinc/35/93/31/558359331.db2.gz HIZZVELXKQMCAY-UHFFFAOYSA-N 1 2 416.934 2.925 50 0 HFAALO Fc1ccccc1Cc1noc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000020454156 558368077 /nfs/dbraw/zinc/36/80/77/558368077.db2.gz BDMPTYMVNKQVNX-UHFFFAOYSA-N 1 2 410.449 2.846 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000020533851 558385313 /nfs/dbraw/zinc/38/53/13/558385313.db2.gz UQEJQUCUOGCVRG-UHFFFAOYSA-N 1 2 419.481 2.735 50 0 HFAALO CCn1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(=O)c2ccc(C)nc21 ZINC000020677569 558400353 /nfs/dbraw/zinc/40/03/53/558400353.db2.gz RMSAROWPPHJWNK-UHFFFAOYSA-N 1 2 406.486 2.809 50 0 HFAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCCC2)c(C)c1C ZINC000012458565 558418319 /nfs/dbraw/zinc/41/83/19/558418319.db2.gz XCPKNWPLJIWWCS-FQEVSTJZSA-N 1 2 401.551 2.795 50 0 HFAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N2CCCCCCC2)c(C)c1C ZINC000012458565 558418321 /nfs/dbraw/zinc/41/83/21/558418321.db2.gz XCPKNWPLJIWWCS-FQEVSTJZSA-N 1 2 401.551 2.795 50 0 HFAALO O=C(c1cccc(N2CCCC2=O)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020902390 558420478 /nfs/dbraw/zinc/42/04/78/558420478.db2.gz JGFXRIZIZBXVJI-UHFFFAOYSA-N 1 2 407.470 2.500 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000004341655 558425261 /nfs/dbraw/zinc/42/52/61/558425261.db2.gz FMUFALKDMXGCCB-AWEZNQCLSA-N 1 2 403.895 2.856 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3ccccc3OC)C[C@@H]2CCO)cc(OC)c1 ZINC000020998178 558427416 /nfs/dbraw/zinc/42/74/16/558427416.db2.gz XDCHINXGTFVOLA-FQEVSTJZSA-N 1 2 400.519 2.781 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3ccccc3OC)C[C@@H]2CCO)cc(OC)c1 ZINC000020998178 558427419 /nfs/dbraw/zinc/42/74/19/558427419.db2.gz XDCHINXGTFVOLA-FQEVSTJZSA-N 1 2 400.519 2.781 50 0 HFAALO Cc1nc([C@H](C)N(C)C(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)c(C)s1 ZINC000012704670 558449415 /nfs/dbraw/zinc/44/94/15/558449415.db2.gz KPBGCISJTFCRTA-HNNXBMFYSA-N 1 2 419.599 2.978 50 0 HFAALO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2c1c(C)n[nH]c2=O ZINC000010844211 558492312 /nfs/dbraw/zinc/49/23/12/558492312.db2.gz MMISFLMYPUCCCM-OAHLLOKOSA-N 1 2 424.457 2.680 50 0 HFAALO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2c1c(C)n[nH]c2=O ZINC000010844211 558492314 /nfs/dbraw/zinc/49/23/14/558492314.db2.gz MMISFLMYPUCCCM-OAHLLOKOSA-N 1 2 424.457 2.680 50 0 HFAALO O=S1(=O)CC[C@H]([NH+]2CCN(c3nc4ccccc4c(-c4ccccc4)n3)CC2)C1 ZINC000012997297 558498940 /nfs/dbraw/zinc/49/89/40/558498940.db2.gz JABBJBDYYDVZKO-SFHVURJKSA-N 1 2 408.527 2.606 50 0 HFAALO COc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000022785528 558510768 /nfs/dbraw/zinc/51/07/68/558510768.db2.gz MQZWISCONPPZCQ-QGZVFWFLSA-N 1 2 413.518 2.857 50 0 HFAALO COc1ccc(C[NH+]2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)CC2)cc1 ZINC000022796992 558512463 /nfs/dbraw/zinc/51/24/63/558512463.db2.gz AIOKRCGNDWHDBO-GOSISDBHSA-N 1 2 422.529 2.577 50 0 HFAALO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1F ZINC000023077410 558533499 /nfs/dbraw/zinc/53/34/99/558533499.db2.gz HYPMAOBEOCTAOW-UHFFFAOYSA-N 1 2 416.478 2.952 50 0 HFAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1c1ccccc1F ZINC000023292897 558548142 /nfs/dbraw/zinc/54/81/42/558548142.db2.gz HCFWADJYFNREIO-MRXNPFEDSA-N 1 2 407.898 2.990 50 0 HFAALO C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023408574 558556899 /nfs/dbraw/zinc/55/68/99/558556899.db2.gz DBYHGFHKZHDDBN-DEOSSOPVSA-N 1 2 419.481 2.972 50 0 HFAALO C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023408574 558556902 /nfs/dbraw/zinc/55/69/02/558556902.db2.gz DBYHGFHKZHDDBN-DEOSSOPVSA-N 1 2 419.481 2.972 50 0 HFAALO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736263 558572152 /nfs/dbraw/zinc/57/21/52/558572152.db2.gz HSQWGRDEDHSNPF-NRFANRHFSA-N 1 2 410.543 2.621 50 0 HFAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000023804986 558576398 /nfs/dbraw/zinc/57/63/98/558576398.db2.gz HSZGAEYOQLPUQM-QFIPXVFZSA-N 1 2 407.514 2.612 50 0 HFAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000023818741 558577017 /nfs/dbraw/zinc/57/70/17/558577017.db2.gz WZTXBHXXAGFBPH-LJQANCHMSA-N 1 2 423.469 2.789 50 0 HFAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000023818741 558577021 /nfs/dbraw/zinc/57/70/21/558577021.db2.gz WZTXBHXXAGFBPH-LJQANCHMSA-N 1 2 423.469 2.789 50 0 HFAALO COc1ccc(Cn2nnnc2SC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000023866691 558578352 /nfs/dbraw/zinc/57/83/52/558578352.db2.gz XRLVJOXOKVBKNT-HXUWFJFHSA-N 1 2 411.531 2.723 50 0 HFAALO COc1ccc(Cn2nnnc2SC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000023866691 558578356 /nfs/dbraw/zinc/57/83/56/558578356.db2.gz XRLVJOXOKVBKNT-HXUWFJFHSA-N 1 2 411.531 2.723 50 0 HFAALO CCOc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1S(=O)(=O)N(C)C ZINC000024050898 558586920 /nfs/dbraw/zinc/58/69/20/558586920.db2.gz JCAWJOJUGATMDH-UHFFFAOYSA-N 1 2 414.487 2.774 50 0 HFAALO CC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000014199108 558635204 /nfs/dbraw/zinc/63/52/04/558635204.db2.gz BXHVWSXGEAXMPA-OAHLLOKOSA-N 1 2 421.501 2.952 50 0 HFAALO COc1cc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1 ZINC000026935096 558667203 /nfs/dbraw/zinc/66/72/03/558667203.db2.gz LJFAOOZVWXYDIQ-UHFFFAOYSA-N 1 2 412.486 2.710 50 0 HFAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000030495944 558730840 /nfs/dbraw/zinc/73/08/40/558730840.db2.gz RJDXKRGPBUOSLR-UHFFFAOYSA-N 1 2 413.543 2.628 50 0 HFAALO CCCn1cc(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 ZINC000039537953 558822149 /nfs/dbraw/zinc/82/21/49/558822149.db2.gz JBBMNCYWBJDTQX-JOCHJYFZSA-N 1 2 400.567 2.987 50 0 HFAALO CCCn1cc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c(C)n1 ZINC000039537953 558822152 /nfs/dbraw/zinc/82/21/52/558822152.db2.gz JBBMNCYWBJDTQX-JOCHJYFZSA-N 1 2 400.567 2.987 50 0 HFAALO O=C(CCNC(=O)c1ccc(Cl)cc1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000032999973 558826393 /nfs/dbraw/zinc/82/63/93/558826393.db2.gz IWRKCYMSBXNSOA-QGZVFWFLSA-N 1 2 421.950 2.711 50 0 HFAALO O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072314248 558843073 /nfs/dbraw/zinc/84/30/73/558843073.db2.gz OUCXUXVHIPIGCV-INIZCTEOSA-N 1 2 405.907 2.945 50 0 HFAALO COc1ccc([C@@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 ZINC000054314126 558867386 /nfs/dbraw/zinc/86/73/86/558867386.db2.gz VWIWPYCZKOWENP-GHTZIAJQSA-N 1 2 418.501 2.767 50 0 HFAALO Cc1cc2[nH+]cn(C[C@H](O)CNC(=O)CCc3nc(-c4ccccc4)no3)c2cc1C ZINC000058282227 558916487 /nfs/dbraw/zinc/91/64/87/558916487.db2.gz CKSXFIQGFPCRSP-GOSISDBHSA-N 1 2 419.485 2.813 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4Cl)CC3)C2=O)cc1 ZINC000019556273 558918752 /nfs/dbraw/zinc/91/87/52/558918752.db2.gz JQENMSXIAJLCTB-HXUWFJFHSA-N 1 2 413.905 2.798 50 0 HFAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c1 ZINC000019561051 558921907 /nfs/dbraw/zinc/92/19/07/558921907.db2.gz PCUSYHACRPCECZ-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO CNC(=O)N1CCC[C@@H](c2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)C1 ZINC000033264521 558984490 /nfs/dbraw/zinc/98/44/90/558984490.db2.gz FJPHZEHJMMYXMP-HXUWFJFHSA-N 1 2 407.518 2.563 50 0 HFAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N2CCC[C@H]2c2nccs2)CC1 ZINC000095504771 559083063 /nfs/dbraw/zinc/08/30/63/559083063.db2.gz CYQUCKOUCAUSMH-INIZCTEOSA-N 1 2 403.556 2.505 50 0 HFAALO COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)CCC1CCCCC1)CC2 ZINC000095528686 559086470 /nfs/dbraw/zinc/08/64/70/559086470.db2.gz CAPHXNGDWCMPMY-UHFFFAOYSA-N 1 2 402.539 2.619 50 0 HFAALO Cn1c[nH+]cc1COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000072310779 559163064 /nfs/dbraw/zinc/16/30/64/559163064.db2.gz CWCCLAWKWJAYST-SFHVURJKSA-N 1 2 413.499 2.717 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCN3CCCCC3=O)csc2C1 ZINC000426602505 559274884 /nfs/dbraw/zinc/27/48/84/559274884.db2.gz NEZLZMDDURBOBC-UHFFFAOYSA-N 1 2 416.547 2.654 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCN3CCCCC3=O)csc2C1 ZINC000426602505 559274886 /nfs/dbraw/zinc/27/48/86/559274886.db2.gz NEZLZMDDURBOBC-UHFFFAOYSA-N 1 2 416.547 2.654 50 0 HFAALO O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)NCCCn1cc[nH+]c1 ZINC000005209210 560538818 /nfs/dbraw/zinc/53/88/18/560538818.db2.gz CXQXVATVGOOWDG-GDNBJRDFSA-N 1 2 404.879 2.779 50 0 HFAALO C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048419 560774112 /nfs/dbraw/zinc/77/41/12/560774112.db2.gz ZOKPBAVCMXUSGM-HNNXBMFYSA-N 1 2 410.499 2.804 50 0 HFAALO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1c1ccccc1F ZINC000101490508 560795889 /nfs/dbraw/zinc/79/58/89/560795889.db2.gz HCFWADJYFNREIO-INIZCTEOSA-N 1 2 407.898 2.990 50 0 HFAALO O=C(Nc1ccccc1O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000101490825 560795934 /nfs/dbraw/zinc/79/59/34/560795934.db2.gz OQWNMCJOEOWSOU-GOSISDBHSA-N 1 2 411.433 2.514 50 0 HFAALO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000102246834 560808950 /nfs/dbraw/zinc/80/89/50/560808950.db2.gz XCDVUMWSGFJXQX-OAQYLSRUSA-N 1 2 409.486 2.635 50 0 HFAALO Cn1c(=O)c2ccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)cc2[nH]c1=S ZINC000102836361 560829838 /nfs/dbraw/zinc/82/98/38/560829838.db2.gz PIRAOIIXXQJZKS-UHFFFAOYSA-N 1 2 400.529 2.616 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3cnn(-c4ccccc4)c3)C2=O)c(OC)c1 ZINC000103022655 560836886 /nfs/dbraw/zinc/83/68/86/560836886.db2.gz FKFCCDDTDPMSST-HXUWFJFHSA-N 1 2 420.469 2.653 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3cnn(-c4ccccc4)c3)C2=O)c(OC)c1 ZINC000103022655 560836888 /nfs/dbraw/zinc/83/68/88/560836888.db2.gz FKFCCDDTDPMSST-HXUWFJFHSA-N 1 2 420.469 2.653 50 0 HFAALO O=C1Nc2ccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1=C1CCCC1 ZINC000046053986 568425603 /nfs/dbraw/zinc/42/56/03/568425603.db2.gz WPSDCAVEQOEHFG-UHFFFAOYSA-N 1 2 424.526 2.872 50 0 HFAALO O=C(Nc1ccccc1-n1cccn1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000048152315 568432228 /nfs/dbraw/zinc/43/22/28/568432228.db2.gz RARUZDNBAWDRCT-UHFFFAOYSA-N 1 2 405.458 2.951 50 0 HFAALO CC(C)(C)OC(=O)NC(C)(C)c1noc(CN2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000048308677 568436371 /nfs/dbraw/zinc/43/63/71/568436371.db2.gz MXRVJXUEBCCMBE-UHFFFAOYSA-N 1 2 416.526 2.542 50 0 HFAALO CN(C)c1nc(Cl)c([C@@H]2NC(=N)Nc3[nH+]c4cc5c(cc4n32)OCCCO5)s1 ZINC000048310460 568436721 /nfs/dbraw/zinc/43/67/21/568436721.db2.gz ICSHZINZSZKKOB-CQSZACIVSA-N 1 2 419.898 2.870 50 0 HFAALO Cc1cc(C)c(NC(=O)CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c(C)c1 ZINC000048331408 568439867 /nfs/dbraw/zinc/43/98/67/568439867.db2.gz XMINFUORVGASBD-NRFANRHFSA-N 1 2 424.545 2.923 50 0 HFAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1ccccc1OC)CC3 ZINC000049003281 568446421 /nfs/dbraw/zinc/44/64/21/568446421.db2.gz MMIOGKOTMTVVIO-UHFFFAOYSA-N 1 2 405.498 2.774 50 0 HFAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1ccccc1OC)CC3 ZINC000049003281 568446423 /nfs/dbraw/zinc/44/64/23/568446423.db2.gz MMIOGKOTMTVVIO-UHFFFAOYSA-N 1 2 405.498 2.774 50 0 HFAALO COc1ccc(CCNC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1OC ZINC000049377206 568447282 /nfs/dbraw/zinc/44/72/82/568447282.db2.gz IBAUDJBOEMATBX-UHFFFAOYSA-N 1 2 416.522 2.749 50 0 HFAALO Cc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccc3ccccc3c2)n1 ZINC000014980595 568581238 /nfs/dbraw/zinc/58/12/38/568581238.db2.gz YXMHECKAMFXZNS-QFIPXVFZSA-N 1 2 402.498 2.550 50 0 HFAALO Cc1cccc(CNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccc3ccccc3c2)n1 ZINC000014980595 568581239 /nfs/dbraw/zinc/58/12/39/568581239.db2.gz YXMHECKAMFXZNS-QFIPXVFZSA-N 1 2 402.498 2.550 50 0 HFAALO COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000020287510 568597262 /nfs/dbraw/zinc/59/72/62/568597262.db2.gz JPDCAKCGIOMDGP-AUUYWEPGSA-N 1 2 420.531 2.966 50 0 HFAALO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccnc1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308098 568598119 /nfs/dbraw/zinc/59/81/19/568598119.db2.gz ZYWCFCWRTVDPFW-NRFANRHFSA-N 1 2 419.481 2.764 50 0 HFAALO C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1 ZINC000095469638 568625981 /nfs/dbraw/zinc/62/59/81/568625981.db2.gz VTCFXDJJQVKKDX-AWEZNQCLSA-N 1 2 402.495 2.761 50 0 HFAALO C[N@H+]1CCc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1 ZINC000095469638 568625985 /nfs/dbraw/zinc/62/59/85/568625985.db2.gz VTCFXDJJQVKKDX-AWEZNQCLSA-N 1 2 402.495 2.761 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1Cl ZINC000020611621 568637163 /nfs/dbraw/zinc/63/71/63/568637163.db2.gz JCOUYEIUQBVXMR-IBGZPJMESA-N 1 2 422.872 2.910 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1Cl ZINC000020611623 568637215 /nfs/dbraw/zinc/63/72/15/568637215.db2.gz JCOUYEIUQBVXMR-LJQANCHMSA-N 1 2 422.872 2.910 50 0 biogenic HFAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737323 568641213 /nfs/dbraw/zinc/64/12/13/568641213.db2.gz DEGDRFDXFHBWKP-ZHZULCJRSA-N 1 2 409.511 2.834 50 0 HFAALO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000020941551 568652516 /nfs/dbraw/zinc/65/25/16/568652516.db2.gz AAKCAWLERUOCMR-QGZVFWFLSA-N 1 2 400.523 2.890 50 0 HFAALO O=C(C[NH+]1CCN(CN2c3cccc4cccc(c34)C2=O)CC1)N1CCCCCC1 ZINC000095963364 568670322 /nfs/dbraw/zinc/67/03/22/568670322.db2.gz DYCJHXVGYFYRSG-UHFFFAOYSA-N 1 2 406.530 2.778 50 0 HFAALO O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000096006727 568682885 /nfs/dbraw/zinc/68/28/85/568682885.db2.gz LDHUIYJYAMRZAX-QZTJIDSGSA-N 1 2 418.519 2.678 50 0 HFAALO COc1cn(CC(=O)NC2CCCCC2)c(C[N@@H+]2CCc3ccccc3C2)cc1=O ZINC000096116765 568696185 /nfs/dbraw/zinc/69/61/85/568696185.db2.gz UEGASESFNFBXQO-UHFFFAOYSA-N 1 2 409.530 2.864 50 0 HFAALO COc1cn(CC(=O)NC2CCCCC2)c(C[N@H+]2CCc3ccccc3C2)cc1=O ZINC000096116765 568696186 /nfs/dbraw/zinc/69/61/86/568696186.db2.gz UEGASESFNFBXQO-UHFFFAOYSA-N 1 2 409.530 2.864 50 0 HFAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccc(F)cc1 ZINC000019079096 568751839 /nfs/dbraw/zinc/75/18/39/568751839.db2.gz IPIOFJNFBCSIKF-OAHLLOKOSA-N 1 2 403.464 2.632 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1F ZINC000019080162 568752731 /nfs/dbraw/zinc/75/27/31/568752731.db2.gz AXDQXGJOYNPWFR-HNNXBMFYSA-N 1 2 403.464 2.632 50 0 HFAALO COc1cccc(C(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1OC ZINC000056997359 568822459 /nfs/dbraw/zinc/82/24/59/568822459.db2.gz QCBFTNVZEZCDBS-UHFFFAOYSA-N 1 2 403.910 2.909 50 0 HFAALO CCc1ccccc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000056997947 568822978 /nfs/dbraw/zinc/82/29/78/568822978.db2.gz IAKAYNDCXLVMAM-UHFFFAOYSA-N 1 2 414.937 2.779 50 0 HFAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000005898168 568828599 /nfs/dbraw/zinc/82/85/99/568828599.db2.gz YCHMKGKZAIOYDG-CQSZACIVSA-N 1 2 415.925 2.510 50 0 HFAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000005898168 568828600 /nfs/dbraw/zinc/82/86/00/568828600.db2.gz YCHMKGKZAIOYDG-CQSZACIVSA-N 1 2 415.925 2.510 50 0 HFAALO CCCCCc1[nH+]c2ccccc2n1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000012535009 568845142 /nfs/dbraw/zinc/84/51/42/568845142.db2.gz LUCQRJQTIPJKBV-UHFFFAOYSA-N 1 2 408.506 2.606 50 0 HFAALO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000057830394 568862034 /nfs/dbraw/zinc/86/20/34/568862034.db2.gz YEGJCMIWCIOPRW-QGZVFWFLSA-N 1 2 411.502 2.813 50 0 HFAALO Cc1scnc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299802597 568876754 /nfs/dbraw/zinc/87/67/54/568876754.db2.gz ZOKFYCUJILTOFJ-LJQANCHMSA-N 1 2 419.522 2.861 50 0 HFAALO Cc1ccc(C(=O)CCC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000058062762 568881844 /nfs/dbraw/zinc/88/18/44/568881844.db2.gz DPVSFLWDQWPTFJ-UHFFFAOYSA-N 1 2 410.514 2.985 50 0 HFAALO O=C(CCNC(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052959987 568914241 /nfs/dbraw/zinc/91/42/41/568914241.db2.gz IPERXZVSGQITML-UHFFFAOYSA-N 1 2 403.885 2.943 50 0 HFAALO O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032249863 568951578 /nfs/dbraw/zinc/95/15/78/568951578.db2.gz MKFWCQGPEGQOAU-FQEVSTJZSA-N 1 2 406.486 2.686 50 0 HFAALO O=C(CCc1nnc(-c2ccccc2)o1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032249863 568951580 /nfs/dbraw/zinc/95/15/80/568951580.db2.gz MKFWCQGPEGQOAU-FQEVSTJZSA-N 1 2 406.486 2.686 50 0 HFAALO CCOC(=O)C1([N@@H+](C)CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000084791217 568959616 /nfs/dbraw/zinc/95/96/16/568959616.db2.gz FZJRMTOZXBKNBE-IBGZPJMESA-N 1 2 401.551 2.827 50 0 HFAALO CCOC(=O)C1([N@H+](C)CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000084791217 568959613 /nfs/dbraw/zinc/95/96/13/568959613.db2.gz FZJRMTOZXBKNBE-IBGZPJMESA-N 1 2 401.551 2.827 50 0 HFAALO CCOC(=O)[C@@H]1CCCN(C(=O)CCn2c3ccc(F)cc3c3c2CC[N@@H+](C)C3)C1 ZINC000085393349 568984919 /nfs/dbraw/zinc/98/49/19/568984919.db2.gz JYTUYWLCLQHMRD-MRXNPFEDSA-N 1 2 415.509 2.960 50 0 HFAALO CCOC(=O)[C@@H]1CCCN(C(=O)CCn2c3ccc(F)cc3c3c2CC[N@H+](C)C3)C1 ZINC000085393349 568984921 /nfs/dbraw/zinc/98/49/21/568984921.db2.gz JYTUYWLCLQHMRD-MRXNPFEDSA-N 1 2 415.509 2.960 50 0 HFAALO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)Cc2ccc(C)o2)ccc1C ZINC000006111830 569004756 /nfs/dbraw/zinc/00/47/56/569004756.db2.gz HLQGKSAUZSUENN-UHFFFAOYSA-N 1 2 407.536 2.997 50 0 HFAALO CCN(CC)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)Cc2ccc(C)o2)ccc1C ZINC000006111830 569004757 /nfs/dbraw/zinc/00/47/57/569004757.db2.gz HLQGKSAUZSUENN-UHFFFAOYSA-N 1 2 407.536 2.997 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1C ZINC000104487675 569008782 /nfs/dbraw/zinc/00/87/82/569008782.db2.gz CYRJBFFIKVNUNV-GOSISDBHSA-N 1 2 404.580 2.595 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1C ZINC000104487675 569008783 /nfs/dbraw/zinc/00/87/83/569008783.db2.gz CYRJBFFIKVNUNV-GOSISDBHSA-N 1 2 404.580 2.595 50 0 HFAALO Cc1ccnc2nc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)nn21 ZINC000016003260 569025449 /nfs/dbraw/zinc/02/54/49/569025449.db2.gz CMGHYCFKQJEDPG-UHFFFAOYSA-N 1 2 405.487 2.700 50 0 HFAALO Cc1ccnc2nc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)nn21 ZINC000016003260 569025450 /nfs/dbraw/zinc/02/54/50/569025450.db2.gz CMGHYCFKQJEDPG-UHFFFAOYSA-N 1 2 405.487 2.700 50 0 HFAALO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000012948079 569029220 /nfs/dbraw/zinc/02/92/20/569029220.db2.gz KMXRLESNHJRGCO-QGZVFWFLSA-N 1 2 419.385 2.864 50 0 HFAALO Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5cccc[nH+]5)CC4)c3c2)o1 ZINC000035462003 569038013 /nfs/dbraw/zinc/03/80/13/569038013.db2.gz VOYKLGNNPFWYJR-UHFFFAOYSA-N 1 2 402.458 2.744 50 0 HFAALO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000242263274 569055016 /nfs/dbraw/zinc/05/50/16/569055016.db2.gz XXPDXLVBYQQRIA-AVRDEDQJSA-N 1 2 409.530 2.730 50 0 HFAALO C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000242263274 569055017 /nfs/dbraw/zinc/05/50/17/569055017.db2.gz 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CC(C)(C)CC(=O)N1CC[NH+]([C@@H](C(=O)NCCc2ccccn2)C2CCCC2)CC1 ZINC000036251384 569119886 /nfs/dbraw/zinc/11/98/86/569119886.db2.gz IKFQBRWRZXNARN-JOCHJYFZSA-N 1 2 414.594 2.880 50 0 HFAALO Cc1ccc(-n2cc3c(c(C(=O)N4CC[NH+](C)CC4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000347 569150963 /nfs/dbraw/zinc/15/09/63/569150963.db2.gz IVJUSJRMUQLILE-UHFFFAOYSA-N 1 2 407.514 2.689 50 0 HFAALO CC[N@H+](CCCNC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000169760148 569161734 /nfs/dbraw/zinc/16/17/34/569161734.db2.gz KNWOHATWSFTQCZ-UHFFFAOYSA-N 1 2 421.545 2.798 50 0 HFAALO CC[N@@H+](CCCNC(=O)CCn1ccn2nc3c(c2c1=O)CCCC3)c1ccccc1 ZINC000169760148 569161735 /nfs/dbraw/zinc/16/17/35/569161735.db2.gz KNWOHATWSFTQCZ-UHFFFAOYSA-N 1 2 421.545 2.798 50 0 HFAALO CCOc1ccccc1NC(=O)Cn1cc[nH+]c1-c1ccnc(N2CCOCC2)c1 ZINC000065220551 569198080 /nfs/dbraw/zinc/19/80/80/569198080.db2.gz IMRMGFHQRBFDMV-UHFFFAOYSA-N 1 2 407.474 2.819 50 0 HFAALO CCc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCC5)n4)ccn3n2)cc1 ZINC000065235844 569202526 /nfs/dbraw/zinc/20/25/26/569202526.db2.gz AKDSGZCFWZFWOC-UHFFFAOYSA-N 1 2 404.474 2.753 50 0 HFAALO Cc1ccc(Cc2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCOCC3)no2)cc1 ZINC000065255029 569207671 /nfs/dbraw/zinc/20/76/71/569207671.db2.gz ABNBPCBCPMSTDI-UHFFFAOYSA-N 1 2 404.474 2.713 50 0 HFAALO CC(=O)N1CCC(n2c(C)nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)CC1 ZINC000065257389 569208613 /nfs/dbraw/zinc/20/86/13/569208613.db2.gz PQZRWWIYXUPVFW-UHFFFAOYSA-N 1 2 423.561 2.641 50 0 HFAALO COCC[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065259885 569210887 /nfs/dbraw/zinc/21/08/87/569210887.db2.gz PKPDRVRXFFJSOQ-QHCPKHFHSA-N 1 2 422.485 2.782 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccccc1Cl)C2 ZINC000065265808 569212934 /nfs/dbraw/zinc/21/29/34/569212934.db2.gz WSRKOGJQOKPKHA-QFIPXVFZSA-N 1 2 412.921 2.994 50 0 HFAALO O=C(CCc1cc[nH+]c(N2CCOCC2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000065269758 569213927 /nfs/dbraw/zinc/21/39/27/569213927.db2.gz DHHHXPFPPWGIEZ-UHFFFAOYSA-N 1 2 414.937 2.853 50 0 HFAALO COc1ccc(-c2nccn3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)nc23)cc1 ZINC000065274400 569215139 /nfs/dbraw/zinc/21/51/39/569215139.db2.gz HECMXIITVDLRKM-UHFFFAOYSA-N 1 2 414.469 2.762 50 0 HFAALO Cc1scc2nc(C(=O)N3CCN(c4cccc[nH+]4)CC3)nc(N3CCCC3)c12 ZINC000065283183 569216536 /nfs/dbraw/zinc/21/65/36/569216536.db2.gz MBACQGMINOYHMP-UHFFFAOYSA-N 1 2 408.531 2.957 50 0 HFAALO CCc1ccccc1S(=O)(=O)N1CC[NH+]([C@@]2(CC)CCN(C(=O)C(C)C)C2)CC1 ZINC000065292036 569217784 /nfs/dbraw/zinc/21/77/84/569217784.db2.gz XKJLNNGYMHFEOT-QFIPXVFZSA-N 1 2 421.607 2.592 50 0 HFAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1cccc(Br)c1 ZINC000065295998 569218885 /nfs/dbraw/zinc/21/88/85/569218885.db2.gz WEIGWJBQBWMCCT-UHFFFAOYSA-N 1 2 417.311 2.751 50 0 HFAALO C[S@](=O)Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000065488172 569231887 /nfs/dbraw/zinc/23/18/87/569231887.db2.gz GBAISIDTSCZBPN-XMMPIXPASA-N 1 2 406.305 2.905 50 0 HFAALO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000007318581 569233381 /nfs/dbraw/zinc/23/33/81/569233381.db2.gz KVHYHAWTLHDJAV-GOSISDBHSA-N 1 2 415.563 2.641 50 0 HFAALO Cc1n[nH]cc1C[N@H+](Cc1nccc(N)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170613052 569246660 /nfs/dbraw/zinc/24/66/60/569246660.db2.gz GKHUUEHFPHMZEP-KRWDZBQOSA-N 1 2 415.542 2.882 50 0 HFAALO Cc1n[nH]cc1C[N@@H+](Cc1nccc(N)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170613052 569246661 /nfs/dbraw/zinc/24/66/61/569246661.db2.gz GKHUUEHFPHMZEP-KRWDZBQOSA-N 1 2 415.542 2.882 50 0 HFAALO C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089904945 569268184 /nfs/dbraw/zinc/26/81/84/569268184.db2.gz CUNXXLKYQZLUCJ-WAIKUNEKSA-N 1 2 417.469 2.517 50 0 HFAALO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)c(C)c1 ZINC000002877332 569278396 /nfs/dbraw/zinc/27/83/96/569278396.db2.gz KWJZEUOTVPCFKZ-UHFFFAOYSA-N 1 2 401.532 2.800 50 0 HFAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)CC2 ZINC000007652278 569299054 /nfs/dbraw/zinc/29/90/54/569299054.db2.gz PYQSKEUUZAAQKP-UHFFFAOYSA-N 1 2 409.486 2.593 50 0 HFAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)CC2 ZINC000007652278 569299056 /nfs/dbraw/zinc/29/90/56/569299056.db2.gz PYQSKEUUZAAQKP-UHFFFAOYSA-N 1 2 409.486 2.593 50 0 HFAALO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C[NH+]2CCCC2)o1 ZINC000007736970 569305051 /nfs/dbraw/zinc/30/50/51/569305051.db2.gz UPDSMRZYIWIDOK-CYBMUJFWSA-N 1 2 401.492 2.521 50 0 HFAALO CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253394588 569365079 /nfs/dbraw/zinc/36/50/79/569365079.db2.gz BHSLUAPOXOGGEU-INIZCTEOSA-N 1 2 403.504 2.523 50 0 HFAALO COc1cccc2cc(C(=O)NC[C@H](c3ccoc3)[NH+]3CCSCC3)c(=O)oc21 ZINC000253403558 569365805 /nfs/dbraw/zinc/36/58/05/569365805.db2.gz QCHUAOTXZQIAMX-QGZVFWFLSA-N 1 2 414.483 2.915 50 0 HFAALO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCOC[C@H]1c1ncnn1-c1ccccc1 ZINC000253419411 569367855 /nfs/dbraw/zinc/36/78/55/569367855.db2.gz OXDBTDURYOQAHF-KRWDZBQOSA-N 1 2 404.478 2.740 50 0 HFAALO O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000253472742 569381433 /nfs/dbraw/zinc/38/14/33/569381433.db2.gz ORTHHGDFAZMYIN-UHFFFAOYSA-N 1 2 416.909 2.646 50 0 HFAALO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)cc1 ZINC000078729254 569420047 /nfs/dbraw/zinc/42/00/47/569420047.db2.gz PSBISEZHUYSNHR-HXUWFJFHSA-N 1 2 421.607 2.682 50 0 HFAALO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)cc1 ZINC000078729254 569420048 /nfs/dbraw/zinc/42/00/48/569420048.db2.gz PSBISEZHUYSNHR-HXUWFJFHSA-N 1 2 421.607 2.682 50 0 HFAALO CS(=O)(=O)N[C@@H]1CCC[N@H+](Cn2ncc3c2cccc3OCc2ccccc2)C1 ZINC000078876034 569421139 /nfs/dbraw/zinc/42/11/39/569421139.db2.gz OMKJEESZVAZPNW-GOSISDBHSA-N 1 2 414.531 2.586 50 0 HFAALO CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cn2ncc3c2cccc3OCc2ccccc2)C1 ZINC000078876034 569421140 /nfs/dbraw/zinc/42/11/40/569421140.db2.gz OMKJEESZVAZPNW-GOSISDBHSA-N 1 2 414.531 2.586 50 0 HFAALO CC1=[NH+]N(Cc2c(Cl)cccc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000008706266 571103831 /nfs/dbraw/zinc/10/38/31/571103831.db2.gz CDROXVWWROGMDL-SNVBAGLBSA-N 1 2 421.288 2.698 50 0 HFAALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1NS(C)(=O)=O ZINC000040059003 571146328 /nfs/dbraw/zinc/14/63/28/571146328.db2.gz WKZKEWVVLSMOGK-SFHVURJKSA-N 1 2 416.478 2.759 50 0 HFAALO O=C(NC1CCCCC1)N1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000040072416 571152700 /nfs/dbraw/zinc/15/27/00/571152700.db2.gz WCSCXOPKUQWFMF-UHFFFAOYSA-N 1 2 403.914 2.508 50 0 HFAALO C[C@@H](Sc1nncs1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000040135205 571188334 /nfs/dbraw/zinc/18/83/34/571188334.db2.gz XSSJKXZMMWBWDU-CYBMUJFWSA-N 1 2 412.968 2.895 50 0 HFAALO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000040149578 571196880 /nfs/dbraw/zinc/19/68/80/571196880.db2.gz RBCIWASZDXJZTH-CQSZACIVSA-N 1 2 416.503 2.527 50 0 HFAALO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000040149578 571196881 /nfs/dbraw/zinc/19/68/81/571196881.db2.gz RBCIWASZDXJZTH-CQSZACIVSA-N 1 2 416.503 2.527 50 0 HFAALO COc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(C)c(C)c4)CC3)NC2=O)cc1 ZINC000009526774 571265968 /nfs/dbraw/zinc/26/59/68/571265968.db2.gz LTWTURXOPJRTEK-UHFFFAOYSA-N 1 2 420.513 2.662 50 0 HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2)Nc1ccc(F)cc1 ZINC000009526876 571266046 /nfs/dbraw/zinc/26/60/46/571266046.db2.gz MNFLLKVXOHZMAS-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1F ZINC000009526904 571266102 /nfs/dbraw/zinc/26/61/02/571266102.db2.gz FBZYSTTXSFUTQX-UHFFFAOYSA-N 1 2 412.440 2.623 50 0 biogenic HFAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000071279746 571290403 /nfs/dbraw/zinc/29/04/03/571290403.db2.gz FGWJMYZWDGSGLL-AWEZNQCLSA-N 1 2 421.423 2.959 50 0 HFAALO Cn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccccc1OCC[NH+]1CCOCC1 ZINC000036616244 571313833 /nfs/dbraw/zinc/31/38/33/571313833.db2.gz HZXFQTFGBZMUCL-UHFFFAOYSA-N 1 2 421.501 2.809 50 0 HFAALO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000005062525 132300121 /nfs/dbraw/zinc/30/01/21/132300121.db2.gz QNBXAAGBXRJDAX-JOCHJYFZSA-N 1 2 414.509 2.772 50 0 HFAALO C[N@H+](CCOc1ccc(Br)cc1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000005966066 132308804 /nfs/dbraw/zinc/30/88/04/132308804.db2.gz ZLKFDUKROWGFGV-UHFFFAOYSA-N 1 2 418.291 2.745 50 0 HFAALO C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000005966066 132308805 /nfs/dbraw/zinc/30/88/05/132308805.db2.gz ZLKFDUKROWGFGV-UHFFFAOYSA-N 1 2 418.291 2.745 50 0 HFAALO CCCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000006776250 132315654 /nfs/dbraw/zinc/31/56/54/132315654.db2.gz MMBBSZMMFOKKQN-UHFFFAOYSA-N 1 2 402.564 2.854 50 0 HFAALO Cc1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2c(F)cccc2Cl)c(C)[nH+]1 ZINC000006776228 132315697 /nfs/dbraw/zinc/31/56/97/132315697.db2.gz DZHAFNDLLOSERG-UHFFFAOYSA-N 1 2 412.918 2.558 50 0 HFAALO Cc1cc(N2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)nc(C(C)C)[nH+]1 ZINC000009155870 132336675 /nfs/dbraw/zinc/33/66/75/132336675.db2.gz KTVAKUIUAQAYRU-UHFFFAOYSA-N 1 2 407.518 2.998 50 0 HFAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000012556231 132363714 /nfs/dbraw/zinc/36/37/14/132363714.db2.gz HGNYBWAWNQZIEU-IBGZPJMESA-N 1 2 408.546 2.857 50 0 HFAALO Cc1cccc(N2CC[NH+](CC(=O)N3CCN(Cc4ccccc4F)CC3)CC2)c1 ZINC000012564996 132364469 /nfs/dbraw/zinc/36/44/69/132364469.db2.gz QEFFZKUYMIHIPW-UHFFFAOYSA-N 1 2 410.537 2.601 50 0 HFAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)n3nc(CC(C)C)sc3n2)CC1 ZINC000015731846 132462387 /nfs/dbraw/zinc/46/23/87/132462387.db2.gz FTOHIANJLGAJSW-UHFFFAOYSA-N 1 2 413.547 2.680 50 0 HFAALO CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000032017788 519019865 /nfs/dbraw/zinc/01/98/65/519019865.db2.gz IUIAXUMMVABVIX-UHFFFAOYSA-N 1 2 424.545 2.652 50 0 HFAALO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000042687273 519867203 /nfs/dbraw/zinc/86/72/03/519867203.db2.gz NDCBHYNRRCFFKZ-SECBINFHSA-N 1 2 407.383 2.947 50 0 HFAALO CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccc(OC)c(F)c1 ZINC000032932816 521465341 /nfs/dbraw/zinc/46/53/41/521465341.db2.gz QZNNOOXEYLJFQH-UHFFFAOYSA-N 1 2 401.467 2.813 50 0 HFAALO CC[N@@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccc(OC)c(F)c1 ZINC000032932816 521465346 /nfs/dbraw/zinc/46/53/46/521465346.db2.gz QZNNOOXEYLJFQH-UHFFFAOYSA-N 1 2 401.467 2.813 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(F)c1 ZINC000020599126 524032543 /nfs/dbraw/zinc/03/25/43/524032543.db2.gz CIQNPFUEESQFMS-SFHVURJKSA-N 1 2 404.482 2.617 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)c(F)c1 ZINC000020599126 524032546 /nfs/dbraw/zinc/03/25/46/524032546.db2.gz CIQNPFUEESQFMS-SFHVURJKSA-N 1 2 404.482 2.617 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000040162244 524250634 /nfs/dbraw/zinc/25/06/34/524250634.db2.gz WRJDPZDNNXQVFX-ZDUSSCGKSA-N 1 2 406.939 2.645 50 0 HFAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(C)=O)c(OC)c1 ZINC000043741828 524394629 /nfs/dbraw/zinc/39/46/29/524394629.db2.gz NPCAMNVWKAEMHK-MBDNFAEBSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(C)=O)c(OC)c1 ZINC000043741828 524394639 /nfs/dbraw/zinc/39/46/39/524394639.db2.gz NPCAMNVWKAEMHK-MBDNFAEBSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)cc1 ZINC000072117614 524550826 /nfs/dbraw/zinc/55/08/26/524550826.db2.gz ADFSJXISZSKLKD-UHFFFAOYSA-N 1 2 407.478 2.642 50 0 HFAALO C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000032676164 525347641 /nfs/dbraw/zinc/34/76/41/525347641.db2.gz LXEJBCBXOQCNTO-QGZVFWFLSA-N 1 2 415.921 2.682 50 0 HFAALO O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000032483794 526660366 /nfs/dbraw/zinc/66/03/66/526660366.db2.gz KYQRNLUOAMTBGI-UHFFFAOYSA-N 1 2 422.916 2.903 50 0 HFAALO COc1ccc2c(C)c(CCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)oc2c1 ZINC000009306562 536962491 /nfs/dbraw/zinc/96/24/91/536962491.db2.gz KVDOZBQXKADQSJ-UHFFFAOYSA-N 1 2 407.470 2.786 50 0 HFAALO CC(C)Oc1ccc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)cc1 ZINC000034762591 557460379 /nfs/dbraw/zinc/46/03/79/557460379.db2.gz CKAXMRLSWHPNAJ-UHFFFAOYSA-N 1 2 413.522 2.566 50 0 HFAALO Cc1ccc(-c2nnc(CCC(=O)NCC[NH+]3CCCCC3)c(=O)[nH]2)cc1Cl ZINC000034767790 557462654 /nfs/dbraw/zinc/46/26/54/557462654.db2.gz JIODZFWMCNQLHG-UHFFFAOYSA-N 1 2 403.914 2.741 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000004698526 557582833 /nfs/dbraw/zinc/58/28/33/557582833.db2.gz ADVNQDACVRUXPK-LJQANCHMSA-N 1 2 414.889 2.964 50 0 HFAALO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)c1 ZINC000004809462 557599976 /nfs/dbraw/zinc/59/99/76/557599976.db2.gz GQVVEJACXFIREK-UHFFFAOYSA-N 1 2 407.923 2.837 50 0 HFAALO CN1C(=O)C(=C2C=C(c3ccccc3)[N@H+](CCO)C3=C2CCCC3)C(=O)N(C)C1=O ZINC000002692968 557741114 /nfs/dbraw/zinc/74/11/14/557741114.db2.gz DVCBHJGWCFNZLE-UHFFFAOYSA-N 1 2 407.470 2.511 50 0 HFAALO CN1C(=O)C(=C2C=C(c3ccccc3)[N@@H+](CCO)C3=C2CCCC3)C(=O)N(C)C1=O ZINC000002692968 557741116 /nfs/dbraw/zinc/74/11/16/557741116.db2.gz DVCBHJGWCFNZLE-UHFFFAOYSA-N 1 2 407.470 2.511 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697567 557784213 /nfs/dbraw/zinc/78/42/13/557784213.db2.gz REMCURTZLYVUFF-GOSISDBHSA-N 1 2 405.520 2.807 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000022797004 557823272 /nfs/dbraw/zinc/82/32/72/557823272.db2.gz ZKPDZXJCWBAPOK-UHFFFAOYSA-N 1 2 422.529 2.657 50 0 HFAALO COC(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022851497 557839203 /nfs/dbraw/zinc/83/92/03/557839203.db2.gz HQWHEHSUBDBZAP-GOSISDBHSA-N 1 2 401.438 2.774 50 0 HFAALO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3n2)cc1 ZINC000019774427 558280897 /nfs/dbraw/zinc/28/08/97/558280897.db2.gz NNDVQXUWHULYRT-UHFFFAOYSA-N 1 2 419.407 2.811 50 0 HFAALO O=C(NCCc1nnc2n1CC[N@@H+](Cc1c(F)cccc1Cl)CC2)C1CCC1 ZINC000019839349 558293736 /nfs/dbraw/zinc/29/37/36/558293736.db2.gz PZWLLCUBBGSNBD-UHFFFAOYSA-N 1 2 405.905 2.588 50 0 HFAALO O=C(NCCc1nnc2n1CC[N@H+](Cc1c(F)cccc1Cl)CC2)C1CCC1 ZINC000019839349 558293738 /nfs/dbraw/zinc/29/37/38/558293738.db2.gz PZWLLCUBBGSNBD-UHFFFAOYSA-N 1 2 405.905 2.588 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(C(=S)Nc3ccccc3)C[C@H]2CCO)cc1OC ZINC000019871442 558299582 /nfs/dbraw/zinc/29/95/82/558299582.db2.gz PUWGUKDSWKCTQZ-LJQANCHMSA-N 1 2 415.559 2.969 50 0 HFAALO COc1ccc(C[N@H+]2CCN(C(=S)Nc3ccccc3)C[C@H]2CCO)cc1OC ZINC000019871442 558299584 /nfs/dbraw/zinc/29/95/84/558299584.db2.gz PUWGUKDSWKCTQZ-LJQANCHMSA-N 1 2 415.559 2.969 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012073220 558318236 /nfs/dbraw/zinc/31/82/36/558318236.db2.gz FYNISAASYINGJU-QHCPKHFHSA-N 1 2 405.542 2.858 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012073220 558318237 /nfs/dbraw/zinc/31/82/37/558318237.db2.gz FYNISAASYINGJU-QHCPKHFHSA-N 1 2 405.542 2.858 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000020166396 558342958 /nfs/dbraw/zinc/34/29/58/558342958.db2.gz NTMIUMKDFSLBFN-UHFFFAOYSA-N 1 2 405.454 2.693 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020454923 558368618 /nfs/dbraw/zinc/36/86/18/558368618.db2.gz HGGVPCWNVXRXAF-FQEVSTJZSA-N 1 2 400.519 2.781 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020454923 558368621 /nfs/dbraw/zinc/36/86/21/558368621.db2.gz HGGVPCWNVXRXAF-FQEVSTJZSA-N 1 2 400.519 2.781 50 0 HFAALO CS(=O)(=O)c1ncc(C[N@@H+](Cc2ccccc2)CC2CC2)n1C[C@H]1CCCO1 ZINC000012316943 558380274 /nfs/dbraw/zinc/38/02/74/558380274.db2.gz PFWRXZZCHNJFSS-HXUWFJFHSA-N 1 2 403.548 2.878 50 0 HFAALO CS(=O)(=O)c1ncc(C[N@H+](Cc2ccccc2)CC2CC2)n1C[C@H]1CCCO1 ZINC000012316943 558380275 /nfs/dbraw/zinc/38/02/75/558380275.db2.gz PFWRXZZCHNJFSS-HXUWFJFHSA-N 1 2 403.548 2.878 50 0 HFAALO Cc1c(Br)c(C(F)F)nn1CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000020616899 558393543 /nfs/dbraw/zinc/39/35/43/558393543.db2.gz GCPXCOQYLPOPGS-UHFFFAOYSA-N 1 2 417.254 2.829 50 0 HFAALO CC(C)S(=O)(=O)c1ncc(C[N@H+](C)C2CCOCC2)n1CCc1ccccc1 ZINC000012447222 558414601 /nfs/dbraw/zinc/41/46/01/558414601.db2.gz MXLJXJGFIVRFOM-UHFFFAOYSA-N 1 2 405.564 2.919 50 0 HFAALO CC(C)S(=O)(=O)c1ncc(C[N@@H+](C)C2CCOCC2)n1CCc1ccccc1 ZINC000012447222 558414603 /nfs/dbraw/zinc/41/46/03/558414603.db2.gz MXLJXJGFIVRFOM-UHFFFAOYSA-N 1 2 405.564 2.919 50 0 HFAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCCC2)c(C)c1C ZINC000012458567 558418239 /nfs/dbraw/zinc/41/82/39/558418239.db2.gz XCPKNWPLJIWWCS-HXUWFJFHSA-N 1 2 401.551 2.795 50 0 HFAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CCCCCCC2)c(C)c1C ZINC000012458567 558418241 /nfs/dbraw/zinc/41/82/41/558418241.db2.gz XCPKNWPLJIWWCS-HXUWFJFHSA-N 1 2 401.551 2.795 50 0 HFAALO O=C(c1cnn(Cc2ccccc2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020902401 558420774 /nfs/dbraw/zinc/42/07/74/558420774.db2.gz CXSBLOLVTWXHKY-UHFFFAOYSA-N 1 2 404.470 2.618 50 0 HFAALO O=C(c1nc2ccccn2c1C[NH+]1CCN(c2ccccc2O)CC1)N1CCCC1 ZINC000020907376 558421475 /nfs/dbraw/zinc/42/14/75/558421475.db2.gz BLUUIDXWJWLBCN-UHFFFAOYSA-N 1 2 405.502 2.598 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N[C@@H]1CCCc2ccccc21 ZINC000021847621 558452317 /nfs/dbraw/zinc/45/23/17/558452317.db2.gz HUAJIMSPTDDMLU-OAQYLSRUSA-N 1 2 407.514 2.727 50 0 HFAALO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)NCc1ccc(F)cc1 ZINC000012808785 558474259 /nfs/dbraw/zinc/47/42/59/558474259.db2.gz RTBIVLFHRXIIJU-UHFFFAOYSA-N 1 2 412.461 2.808 50 0 HFAALO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000022780749 558510085 /nfs/dbraw/zinc/51/00/85/558510085.db2.gz GIPHUAAQXFXLFD-HXUWFJFHSA-N 1 2 400.567 2.651 50 0 HFAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013137149 558521510 /nfs/dbraw/zinc/52/15/10/558521510.db2.gz JASKIEKWKBZAQL-LJQANCHMSA-N 1 2 401.869 2.929 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c1 ZINC000022932764 558524998 /nfs/dbraw/zinc/52/49/98/558524998.db2.gz UQANRKGMGLONLZ-QFIPXVFZSA-N 1 2 406.530 2.950 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@@H]2CCO)c1 ZINC000022932764 558525001 /nfs/dbraw/zinc/52/50/01/558525001.db2.gz UQANRKGMGLONLZ-QFIPXVFZSA-N 1 2 406.530 2.950 50 0 HFAALO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000023441517 558558463 /nfs/dbraw/zinc/55/84/63/558558463.db2.gz SVIGJVWIAZIIKH-UHFFFAOYSA-N 1 2 409.461 2.546 50 0 HFAALO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023642296 558564572 /nfs/dbraw/zinc/56/45/72/558564572.db2.gz LXEJBCBXOQCNTO-KRWDZBQOSA-N 1 2 415.921 2.682 50 0 HFAALO CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023731903 558571639 /nfs/dbraw/zinc/57/16/39/558571639.db2.gz LMTNKWXNQXFABH-OAQYLSRUSA-N 1 2 415.559 2.612 50 0 HFAALO CCOc1ccc(-n2ncc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)c2C)nn1 ZINC000023776068 558575704 /nfs/dbraw/zinc/57/57/04/558575704.db2.gz KWBAPDMNMPPAHL-FQEVSTJZSA-N 1 2 417.473 2.622 50 0 HFAALO O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023873096 558578903 /nfs/dbraw/zinc/57/89/03/558578903.db2.gz IHAQJSFVJCUTQG-OAQYLSRUSA-N 1 2 414.509 2.932 50 0 HFAALO COc1ccc(C)cc1C[NH+]1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 ZINC000024082895 558588143 /nfs/dbraw/zinc/58/81/43/558588143.db2.gz RYGYQPYHAACIAQ-UHFFFAOYSA-N 1 2 401.532 2.529 50 0 HFAALO O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1CCC[NH+]1CCOCC1 ZINC000024147922 558590551 /nfs/dbraw/zinc/59/05/51/558590551.db2.gz VVYDQWMVPINFAR-NRFANRHFSA-N 1 2 420.465 2.766 50 0 HFAALO CC[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1Cc1ccccc1)[NH+](C)C ZINC000004494489 558610131 /nfs/dbraw/zinc/61/01/31/558610131.db2.gz PMUSRCFHZULQSO-INIZCTEOSA-N 1 2 401.536 2.580 50 0 HFAALO CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014112872 558621045 /nfs/dbraw/zinc/62/10/45/558621045.db2.gz KTUGCGNYJFQZDQ-IBGZPJMESA-N 1 2 401.532 2.973 50 0 HFAALO CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024975925 558623609 /nfs/dbraw/zinc/62/36/09/558623609.db2.gz VJATUXJGYQOYQN-UHFFFAOYSA-N 1 2 414.263 2.741 50 0 HFAALO COc1cc([C@]2(C)NC(=O)N(C[N@H+](C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000014188791 558632050 /nfs/dbraw/zinc/63/20/50/558632050.db2.gz FTYLPWJOEDVOSQ-QFIPXVFZSA-N 1 2 413.474 2.569 50 0 HFAALO COc1cc([C@]2(C)NC(=O)N(C[N@@H+](C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000014188791 558632053 /nfs/dbraw/zinc/63/20/53/558632053.db2.gz FTYLPWJOEDVOSQ-QFIPXVFZSA-N 1 2 413.474 2.569 50 0 HFAALO COc1cc(OC)cc([C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)c2[nH+]ccn2C)c1 ZINC000025160538 558633228 /nfs/dbraw/zinc/63/32/28/558633228.db2.gz SZVYUSJSKIDLSY-NRFANRHFSA-N 1 2 420.469 2.841 50 0 HFAALO COc1cccc(-n2nc(C)c(CCC(=O)NCC(C)(C)[NH+]3CCOCC3)c2C)c1 ZINC000014201487 558636863 /nfs/dbraw/zinc/63/68/63/558636863.db2.gz GHXSMBBLIKSVSN-UHFFFAOYSA-N 1 2 414.550 2.657 50 0 HFAALO O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000025666323 558646956 /nfs/dbraw/zinc/64/69/56/558646956.db2.gz RAFYHPBHXMQILD-UHFFFAOYSA-N 1 2 410.905 2.943 50 0 HFAALO O=S(=O)(NCc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000026358114 558659365 /nfs/dbraw/zinc/65/93/65/558659365.db2.gz QKJWMXARYZZDAP-UHFFFAOYSA-N 1 2 400.544 2.876 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000027155865 558670225 /nfs/dbraw/zinc/67/02/25/558670225.db2.gz CBJVJTSZLGJHCS-IBGZPJMESA-N 1 2 411.893 2.779 50 0 HFAALO CSc1cccc(CNC(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000014976538 558689531 /nfs/dbraw/zinc/68/95/31/558689531.db2.gz MKVPSYKKHCNKDG-UHFFFAOYSA-N 1 2 402.568 2.724 50 0 HFAALO Cn1ncc2c1nc[nH+]c2SCc1csc(CC(=O)NCc2ccccc2)n1 ZINC000028190221 558692062 /nfs/dbraw/zinc/69/20/62/558692062.db2.gz XNELROGEXLBUGI-UHFFFAOYSA-N 1 2 410.528 2.971 50 0 HFAALO Cc1cc(=O)c(C(=O)N2CC[NH+](C)CC2)c(CCc2ccccc2)n1C[C@H]1CCCO1 ZINC000015066666 558709767 /nfs/dbraw/zinc/70/97/67/558709767.db2.gz SMDINIHYZJMXMF-OAQYLSRUSA-N 1 2 423.557 2.509 50 0 HFAALO COc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2[nH+]ccn2C)cc1 ZINC000029133718 558710449 /nfs/dbraw/zinc/71/04/49/558710449.db2.gz DOLLTGUSIXQXFQ-PXNSSMCTSA-N 1 2 422.485 2.780 50 0 HFAALO CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)ccc1Cl ZINC000030298620 558728469 /nfs/dbraw/zinc/72/84/69/558728469.db2.gz YAQRIXMNLXRFTG-UHFFFAOYSA-N 1 2 422.938 2.516 50 0 HFAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000030563967 558732848 /nfs/dbraw/zinc/73/28/48/558732848.db2.gz YKZXMUFBTQBBRT-OAQYLSRUSA-N 1 2 404.470 2.979 50 0 HFAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000030566249 558732920 /nfs/dbraw/zinc/73/29/20/558732920.db2.gz ZOBAHBDQRAIWCX-UHFFFAOYSA-N 1 2 411.893 2.758 50 0 HFAALO Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCC[NH+]1CCOCC1)CCC2 ZINC000016183827 558775725 /nfs/dbraw/zinc/77/57/25/558775725.db2.gz OXSNLNIQBIYXOD-UHFFFAOYSA-N 1 2 413.543 2.860 50 0 HFAALO Cn1c2ccccc2nc1SCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016681139 558799218 /nfs/dbraw/zinc/79/92/18/558799218.db2.gz QNACJFXFHIPWLD-UHFFFAOYSA-N 1 2 424.526 2.739 50 0 HFAALO NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017087293 558816237 /nfs/dbraw/zinc/81/62/37/558816237.db2.gz QTGMNNBUZVBUNN-UHFFFAOYSA-N 1 2 406.408 2.565 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1cc(Br)cc(Br)c1O ZINC000032998228 558819706 /nfs/dbraw/zinc/81/97/06/558819706.db2.gz JNQTVROXLOTSEC-UHFFFAOYSA-N 1 2 403.074 2.934 50 0 HFAALO CN1c2ccccc2[C@]2(N=C(Nc3ccc(Oc4ccccc4)cc3)NC(=[NH2+])N2)C1=O ZINC000019325376 558867815 /nfs/dbraw/zinc/86/78/15/558867815.db2.gz DJUBDMLQMNCHTE-QHCPKHFHSA-N 1 2 412.453 2.994 50 0 HFAALO COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccon2)[C@H](c2ccccc2Cl)[N@@H+]1C ZINC000055042050 558870352 /nfs/dbraw/zinc/87/03/52/558870352.db2.gz ANILSPVQSMXZFN-KNBMTAEXSA-N 1 2 405.882 2.911 50 0 HFAALO COC(=O)[C@]1(C)C[C@H](C(=O)N(C)Cc2ccon2)[C@H](c2ccccc2Cl)[N@H+]1C ZINC000055042050 558870355 /nfs/dbraw/zinc/87/03/55/558870355.db2.gz ANILSPVQSMXZFN-KNBMTAEXSA-N 1 2 405.882 2.911 50 0 HFAALO Cc1c(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cnn1-c1ccc(F)cc1F ZINC000033046864 558883444 /nfs/dbraw/zinc/88/34/44/558883444.db2.gz YGLHBCVUBXPQFM-UHFFFAOYSA-N 1 2 413.428 2.621 50 0 HFAALO Cc1nc(C(=O)N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)nn1-c1ccc(F)cc1 ZINC000058183431 558910448 /nfs/dbraw/zinc/91/04/48/558910448.db2.gz WNXSLVZVLWATKS-UHFFFAOYSA-N 1 2 419.464 2.944 50 0 HFAALO CCOC(=O)c1sc2[nH]c(C[N@H+](C)Cc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000019541916 558914108 /nfs/dbraw/zinc/91/41/08/558914108.db2.gz KJFFSFHFGDWFLJ-UHFFFAOYSA-N 1 2 415.471 2.830 50 0 HFAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000019541916 558914111 /nfs/dbraw/zinc/91/41/11/558914111.db2.gz KJFFSFHFGDWFLJ-UHFFFAOYSA-N 1 2 415.471 2.830 50 0 HFAALO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058402007 558924164 /nfs/dbraw/zinc/92/41/64/558924164.db2.gz AQJSWVWWNGNVLX-APPDUMDISA-N 1 2 402.248 2.942 50 0 HFAALO COc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)cc1 ZINC000067601800 558987544 /nfs/dbraw/zinc/98/75/44/558987544.db2.gz HNKIOYHDAALAEC-UHFFFAOYSA-N 1 2 406.490 2.559 50 0 HFAALO COCc1noc(C[NH+]2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)n1 ZINC000077520248 559008177 /nfs/dbraw/zinc/00/81/77/559008177.db2.gz NRNATKYDFOQHEJ-INIZCTEOSA-N 1 2 400.479 2.807 50 0 HFAALO C[C@@H](CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)n1cc[nH+]c1 ZINC000091626381 559072581 /nfs/dbraw/zinc/07/25/81/559072581.db2.gz MNXHIWRNKNFUTR-NSHDSACASA-N 1 2 406.273 2.855 50 0 HFAALO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000095496458 559081383 /nfs/dbraw/zinc/08/13/83/559081383.db2.gz NJXUVINDJZLGMJ-IBGZPJMESA-N 1 2 401.869 2.929 50 0 HFAALO COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)C[N@H+](Cc3ccc(CO)o3)C2)c1 ZINC000014536827 559167687 /nfs/dbraw/zinc/16/76/87/559167687.db2.gz RALAPEKHHSRIGS-QFIPXVFZSA-N 1 2 416.518 2.666 50 0 HFAALO COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)C[N@@H+](Cc3ccc(CO)o3)C2)c1 ZINC000014536827 559167688 /nfs/dbraw/zinc/16/76/88/559167688.db2.gz RALAPEKHHSRIGS-QFIPXVFZSA-N 1 2 416.518 2.666 50 0 HFAALO CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000004994122 559225377 /nfs/dbraw/zinc/22/53/77/559225377.db2.gz ZFARLGWPOKTMFC-UHFFFAOYSA-N 1 2 422.504 2.842 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccccn1 ZINC000011821525 559260653 /nfs/dbraw/zinc/26/06/53/559260653.db2.gz VQDRRUOUNULBEV-HSZRJFAPSA-N 1 2 414.509 2.756 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccccn1 ZINC000011821525 559260654 /nfs/dbraw/zinc/26/06/54/559260654.db2.gz VQDRRUOUNULBEV-HSZRJFAPSA-N 1 2 414.509 2.756 50 0 HFAALO O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000206236975 560554933 /nfs/dbraw/zinc/55/49/33/560554933.db2.gz UQORLWXSNCONMX-LJQANCHMSA-N 1 2 419.485 2.533 50 0 HFAALO COc1ccccc1C(=O)N1CC[NH+](CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101658695 560798018 /nfs/dbraw/zinc/79/80/18/560798018.db2.gz JHXMJKJNISYKNZ-UHFFFAOYSA-N 1 2 407.470 2.672 50 0 HFAALO C[N@@H+]1CCN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000025185517 560891401 /nfs/dbraw/zinc/89/14/01/560891401.db2.gz TVMRODHVKUWYIA-JTSKRJEESA-N 1 2 408.433 2.612 50 0 HFAALO C[N@H+]1CCN2c3c(F)cccc3C[C@@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000025185517 560891403 /nfs/dbraw/zinc/89/14/03/560891403.db2.gz TVMRODHVKUWYIA-JTSKRJEESA-N 1 2 408.433 2.612 50 0 HFAALO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@@H](C(=O)OCC)C3)C2)nc[nH+]1 ZINC000106482867 560892058 /nfs/dbraw/zinc/89/20/58/560892058.db2.gz XRKHARUZMJQQAQ-QZTJIDSGSA-N 1 2 417.554 2.707 50 0 HFAALO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@@H](C(=O)OCC)C3)C2)[nH+]cn1 ZINC000106482867 560892059 /nfs/dbraw/zinc/89/20/59/560892059.db2.gz XRKHARUZMJQQAQ-QZTJIDSGSA-N 1 2 417.554 2.707 50 0 HFAALO CC(C)NC(=O)C[N@@H+]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000047854095 568431363 /nfs/dbraw/zinc/43/13/63/568431363.db2.gz WZBYBCUSONEEKD-UHFFFAOYSA-N 1 2 400.350 2.985 50 0 HFAALO CC(C)NC(=O)C[N@H+]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)CC1 ZINC000047854095 568431364 /nfs/dbraw/zinc/43/13/64/568431364.db2.gz WZBYBCUSONEEKD-UHFFFAOYSA-N 1 2 400.350 2.985 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2csc(-c3cnn(C)c3)n2)cc1 ZINC000048235294 568432857 /nfs/dbraw/zinc/43/28/57/568432857.db2.gz DNSGIIHUDPKMPB-SFHVURJKSA-N 1 2 411.531 2.655 50 0 HFAALO CN(c1ccccc1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1)S(C)(=O)=O ZINC000048249296 568433389 /nfs/dbraw/zinc/43/33/89/568433389.db2.gz QGXZMGVTLHLQOE-UHFFFAOYSA-N 1 2 416.547 2.788 50 0 HFAALO O[C@H](C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000048277461 568435667 /nfs/dbraw/zinc/43/56/67/568435667.db2.gz JBPFTUYFSOYIQL-LJQANCHMSA-N 1 2 404.894 2.799 50 0 HFAALO O=C(c1csc(-c2ccccn2)n1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000048355306 568441404 /nfs/dbraw/zinc/44/14/04/568441404.db2.gz BPQOROSGNDUSLA-UHFFFAOYSA-N 1 2 408.483 2.892 50 0 HFAALO COCCCNC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000049093447 568446949 /nfs/dbraw/zinc/44/69/49/568446949.db2.gz XOHUPZDSRGQDQQ-NRFANRHFSA-N 1 2 404.532 2.866 50 0 HFAALO COCCCNC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000049093447 568446950 /nfs/dbraw/zinc/44/69/50/568446950.db2.gz XOHUPZDSRGQDQQ-NRFANRHFSA-N 1 2 404.532 2.866 50 0 HFAALO CC1CCN(c2cc(-n3cnc(C(=O)Nc4ccc5c(c4)OCO5)c3)nc[nH+]2)CC1 ZINC000049411234 568450078 /nfs/dbraw/zinc/45/00/78/568450078.db2.gz KTWOBEHTQZOGPM-UHFFFAOYSA-N 1 2 406.446 2.880 50 0 HFAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288092 568597523 /nfs/dbraw/zinc/59/75/23/568597523.db2.gz XVUWCRFDRLHWEL-QRWLVFNGSA-N 1 2 401.532 2.974 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000095433262 568609449 /nfs/dbraw/zinc/60/94/49/568609449.db2.gz ZVWCMNSPFVIXRN-NEPJUHHUSA-N 1 2 414.877 2.825 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C[C@@H](C)O ZINC000095433262 568609451 /nfs/dbraw/zinc/60/94/51/568609451.db2.gz ZVWCMNSPFVIXRN-NEPJUHHUSA-N 1 2 414.877 2.825 50 0 HFAALO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000095464763 568622735 /nfs/dbraw/zinc/62/27/35/568622735.db2.gz SSVLQTRKVTVFFY-IBGZPJMESA-N 1 2 424.526 2.794 50 0 HFAALO C[NH+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCC1=CCCCC1)c2=O ZINC000020645304 568639011 /nfs/dbraw/zinc/63/90/11/568639011.db2.gz RDWJSVJWJKTZCK-UHFFFAOYSA-N 1 2 400.548 2.867 50 0 HFAALO Cc1oc2c(cc3c(C)c(CC(=O)NCC[NH+]4CCOCC4)c(=O)oc3c2C)c1C ZINC000020755886 568641473 /nfs/dbraw/zinc/64/14/73/568641473.db2.gz PWNKTRPZZIHBOR-UHFFFAOYSA-N 1 2 412.486 2.764 50 0 biogenic HFAALO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000225500202 568643697 /nfs/dbraw/zinc/64/36/97/568643697.db2.gz CULLLXMOUXPCQL-QGZVFWFLSA-N 1 2 407.522 2.933 50 0 HFAALO CCn1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(=O)c2cc(Cl)ccc21 ZINC000095993600 568678130 /nfs/dbraw/zinc/67/81/30/568678130.db2.gz ZVUTWJYTTAVDLE-IBGZPJMESA-N 1 2 405.926 2.761 50 0 HFAALO CC(C)Cc1[nH]c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000096115648 568695287 /nfs/dbraw/zinc/69/52/87/568695287.db2.gz WJUKFFCYQVRBLI-SFHVURJKSA-N 1 2 405.458 2.841 50 0 biogenic HFAALO COc1ccccc1OCCN1C[C@@H](C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CC1=O ZINC000096223095 568706057 /nfs/dbraw/zinc/70/60/57/568706057.db2.gz RTKIYSZSRKYSGO-HNNXBMFYSA-N 1 2 408.458 2.746 50 0 HFAALO COc1cccc(-c2noc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)c1OC ZINC000021630840 568724856 /nfs/dbraw/zinc/72/48/56/568724856.db2.gz HIHVESNNSSZCLQ-UHFFFAOYSA-N 1 2 424.457 2.805 50 0 HFAALO Cc1cccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC000096317274 568726702 /nfs/dbraw/zinc/72/67/02/568726702.db2.gz KPMNAVGKNXDLPO-UHFFFAOYSA-N 1 2 400.548 2.643 50 0 HFAALO CC1=C(C(N)=O)[C@H](c2ccc(Br)cc2)N2NC(c3ccccc3)=NC2=[NH+]1 ZINC000000956660 568757800 /nfs/dbraw/zinc/75/78/00/568757800.db2.gz FBJKESUIVFWFPE-INIZCTEOSA-N 1 2 410.275 2.886 50 0 HFAALO C[C@@H]1CC(=O)N[NH+]=C1c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000096564484 568760741 /nfs/dbraw/zinc/76/07/41/568760741.db2.gz YMBDYYPQYPIYOX-GOSISDBHSA-N 1 2 404.514 2.828 50 0 HFAALO COc1ccc(S(=O)(=O)N2CC[NH+](CCSc3ccc(F)cc3)CC2)cc1 ZINC000022094948 568764759 /nfs/dbraw/zinc/76/47/59/568764759.db2.gz HDQPUEJMZCAWAF-UHFFFAOYSA-N 1 2 410.536 2.933 50 0 HFAALO COc1ccccc1N1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000056997911 568822929 /nfs/dbraw/zinc/82/29/29/568822929.db2.gz INRKBQILIWOVJU-UHFFFAOYSA-N 1 2 424.545 2.696 50 0 HFAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057050797 568823660 /nfs/dbraw/zinc/82/36/60/568823660.db2.gz OTMZYZPQLGTGPY-UHFFFAOYSA-N 1 2 410.449 2.854 50 0 HFAALO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000057292065 568825942 /nfs/dbraw/zinc/82/59/42/568825942.db2.gz CNTDIEBRLFPLGR-KRWDZBQOSA-N 1 2 411.502 2.641 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000057380074 568830296 /nfs/dbraw/zinc/83/02/96/568830296.db2.gz UDRTXHOOUQLNTM-UHFFFAOYSA-N 1 2 419.481 2.600 50 0 biogenic HFAALO CCOc1ccc([C@H]2NC(=O)NC(C[N@H+](C)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415321 568833646 /nfs/dbraw/zinc/83/36/46/568833646.db2.gz BZBLISIJEGWCKW-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CCOc1ccc([C@H]2NC(=O)NC(C[N@@H+](C)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415321 568833647 /nfs/dbraw/zinc/83/36/47/568833647.db2.gz BZBLISIJEGWCKW-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057435035 568836700 /nfs/dbraw/zinc/83/67/00/568836700.db2.gz HSNDPACHUYMAHF-UHFFFAOYSA-N 1 2 400.910 2.525 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012557415 568856343 /nfs/dbraw/zinc/85/63/43/568856343.db2.gz ACWDRLCEQCAGJX-NRFANRHFSA-N 1 2 407.514 2.944 50 0 HFAALO Cc1cccn2cc(COC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)[nH+]c12 ZINC000012582430 568864957 /nfs/dbraw/zinc/86/49/57/568864957.db2.gz UIBCMOYAEFGZPO-UHFFFAOYSA-N 1 2 419.528 2.848 50 0 HFAALO O=C(C[NH+]1CCC(NC(=O)c2ccc(Br)o2)CC1)Nc1ccccc1 ZINC000012614753 568871938 /nfs/dbraw/zinc/87/19/38/568871938.db2.gz DFRNXNGBWHNPHZ-UHFFFAOYSA-N 1 2 406.280 2.875 50 0 HFAALO O=C(Cc1csc(NC(=O)c2ccccc2)n1)NCCc1cn2ccccc2[nH+]1 ZINC000012670028 568907224 /nfs/dbraw/zinc/90/72/24/568907224.db2.gz ZJGWXDMYTAGSOR-UHFFFAOYSA-N 1 2 405.483 2.945 50 0 HFAALO COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000670445009 568910436 /nfs/dbraw/zinc/91/04/36/568910436.db2.gz ORCBCVCOHYFHNF-MRXNPFEDSA-N 1 2 408.495 2.786 50 0 HFAALO COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000670445009 568910437 /nfs/dbraw/zinc/91/04/37/568910437.db2.gz ORCBCVCOHYFHNF-MRXNPFEDSA-N 1 2 408.495 2.786 50 0 HFAALO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1COc2ccccc2O1 ZINC000012695403 568915950 /nfs/dbraw/zinc/91/59/50/568915950.db2.gz NPDNVGPZMJNYFF-AWEZNQCLSA-N 1 2 411.458 2.602 50 0 HFAALO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@H]1COc2ccccc2O1 ZINC000012695403 568915953 /nfs/dbraw/zinc/91/59/53/568915953.db2.gz NPDNVGPZMJNYFF-AWEZNQCLSA-N 1 2 411.458 2.602 50 0 HFAALO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000003585437 568917439 /nfs/dbraw/zinc/91/74/39/568917439.db2.gz CMGXQIABXCJLDQ-UHFFFAOYSA-N 1 2 404.850 2.984 50 0 HFAALO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000003585437 568917442 /nfs/dbraw/zinc/91/74/42/568917442.db2.gz CMGXQIABXCJLDQ-UHFFFAOYSA-N 1 2 404.850 2.984 50 0 HFAALO Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000084083790 568936472 /nfs/dbraw/zinc/93/64/72/568936472.db2.gz WLYLRCCUSFOZNJ-NRFANRHFSA-N 1 2 415.559 2.951 50 0 HFAALO Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000084083790 568936475 /nfs/dbraw/zinc/93/64/75/568936475.db2.gz WLYLRCCUSFOZNJ-NRFANRHFSA-N 1 2 415.559 2.951 50 0 HFAALO CCCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+](CC)c2cccc(C)c2)CC1 ZINC000004056856 568936544 /nfs/dbraw/zinc/93/65/44/568936544.db2.gz ZQGYVKHENGXBQH-UHFFFAOYSA-N 1 2 409.596 2.779 50 0 HFAALO CCCS(=O)(=O)N1CCC(C(=O)NCCC[N@@H+](CC)c2cccc(C)c2)CC1 ZINC000004056856 568936546 /nfs/dbraw/zinc/93/65/46/568936546.db2.gz ZQGYVKHENGXBQH-UHFFFAOYSA-N 1 2 409.596 2.779 50 0 HFAALO CCOc1cc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccccc1 ZINC000004279344 568958323 /nfs/dbraw/zinc/95/83/23/568958323.db2.gz KRJYIOCJRFDRMQ-FQEVSTJZSA-N 1 2 405.458 2.683 50 0 HFAALO CCN1CC[NH+]([C@@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)C2)CC1 ZINC000084789297 568959468 /nfs/dbraw/zinc/95/94/68/568959468.db2.gz ADNIKIQTSRAXRR-LJQANCHMSA-N 1 2 415.563 2.966 50 0 HFAALO COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007985387 568964352 /nfs/dbraw/zinc/96/43/52/568964352.db2.gz WHFATZRJKVBDTO-AWEZNQCLSA-N 1 2 414.487 2.879 50 0 HFAALO Cc1[nH+]c2ccccc2n1CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000038534977 568998143 /nfs/dbraw/zinc/99/81/43/568998143.db2.gz IBWYHSRPBRLNLZ-UHFFFAOYSA-N 1 2 416.481 2.880 50 0 HFAALO Cc1cc(C)cc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 ZINC000035430804 569036824 /nfs/dbraw/zinc/03/68/24/569036824.db2.gz IUQGGUKIFBNLKX-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO O=C(c1ccc(OC(F)(F)F)cc1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609163 569042455 /nfs/dbraw/zinc/04/24/55/569042455.db2.gz ZLNOLNZBFKBOEF-OAHLLOKOSA-N 1 2 404.454 2.865 50 0 HFAALO CC[C@]1(C)NC(=O)N(NC(=O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)C1=O ZINC000013018385 569051061 /nfs/dbraw/zinc/05/10/61/569051061.db2.gz GETNSXFLUGXKHV-REWPJTCUSA-N 1 2 420.469 2.864 50 0 HFAALO COc1ccc([C@@H](NC(=O)CCCNC(=O)c2ccsc2)c2[nH+]ccn2C)cc1 ZINC000016475862 569053553 /nfs/dbraw/zinc/05/35/53/569053553.db2.gz VZAKXJUIDQYSBH-LJQANCHMSA-N 1 2 412.515 2.906 50 0 HFAALO C[N@H+](CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000240551685 569054621 /nfs/dbraw/zinc/05/46/21/569054621.db2.gz GVKAQKMACBWMJH-NQIIRXRSSA-N 1 2 416.543 2.805 50 0 HFAALO C[N@@H+](CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000240551685 569054622 /nfs/dbraw/zinc/05/46/22/569054622.db2.gz GVKAQKMACBWMJH-NQIIRXRSSA-N 1 2 416.543 2.805 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4nncn4C)csc3C2)nc1 ZINC000426707120 569073980 /nfs/dbraw/zinc/07/39/80/569073980.db2.gz CFKBXXGARMAGPC-UHFFFAOYSA-N 1 2 410.547 2.665 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4nncn4C)csc3C2)nc1 ZINC000426707120 569073981 /nfs/dbraw/zinc/07/39/81/569073981.db2.gz CFKBXXGARMAGPC-UHFFFAOYSA-N 1 2 410.547 2.665 50 0 HFAALO Cc1noc(CN(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC000426730266 569074016 /nfs/dbraw/zinc/07/40/16/569074016.db2.gz BQICOJSTYYDOEW-UHFFFAOYSA-N 1 2 401.492 2.875 50 0 HFAALO Cc1noc(CN(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC000426730266 569074017 /nfs/dbraw/zinc/07/40/17/569074017.db2.gz BQICOJSTYYDOEW-UHFFFAOYSA-N 1 2 401.492 2.875 50 0 HFAALO O=C(c1cccc(F)c1)N1CC[NH+]([C@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251171 569119791 /nfs/dbraw/zinc/11/97/91/569119791.db2.gz OMVFNZHPYURGSR-FQEVSTJZSA-N 1 2 419.566 2.718 50 0 HFAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCC(=O)OC(C)C)co1)CC2 ZINC000036369933 569153782 /nfs/dbraw/zinc/15/37/82/569153782.db2.gz NRKHMDODICIOTG-UHFFFAOYSA-N 1 2 417.458 2.546 50 0 biogenic HFAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCC(=O)OC(C)C)co1)CC2 ZINC000036369933 569153783 /nfs/dbraw/zinc/15/37/83/569153783.db2.gz NRKHMDODICIOTG-UHFFFAOYSA-N 1 2 417.458 2.546 50 0 biogenic HFAALO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000007007626 569200393 /nfs/dbraw/zinc/20/03/93/569200393.db2.gz PEVBGIRFFGCXOK-UHFFFAOYSA-N 1 2 400.866 2.817 50 0 HFAALO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000007007626 569200394 /nfs/dbraw/zinc/20/03/94/569200394.db2.gz PEVBGIRFFGCXOK-UHFFFAOYSA-N 1 2 400.866 2.817 50 0 HFAALO c1ccc(CCc2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCOCC3)no2)cc1 ZINC000065255040 569207618 /nfs/dbraw/zinc/20/76/18/569207618.db2.gz NYYOYQLWVGFCFC-UHFFFAOYSA-N 1 2 404.474 2.599 50 0 HFAALO COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)C[NH+]4CCOCC4)c32)c1 ZINC000036619068 569210473 /nfs/dbraw/zinc/21/04/73/569210473.db2.gz GKBDLNRJBRWEON-OAHLLOKOSA-N 1 2 410.474 2.657 50 0 HFAALO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000007141044 569225570 /nfs/dbraw/zinc/22/55/70/569225570.db2.gz XGDSYGBCGLCHKA-MRXNPFEDSA-N 1 2 416.528 2.719 50 0 HFAALO NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000007141044 569225572 /nfs/dbraw/zinc/22/55/72/569225572.db2.gz XGDSYGBCGLCHKA-MRXNPFEDSA-N 1 2 416.528 2.719 50 0 HFAALO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000007443293 569239237 /nfs/dbraw/zinc/23/92/37/569239237.db2.gz QIOIKKSSXGHNAV-IIBYNOLFSA-N 1 2 412.515 2.774 50 0 HFAALO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000007443293 569239238 /nfs/dbraw/zinc/23/92/38/569239238.db2.gz QIOIKKSSXGHNAV-IIBYNOLFSA-N 1 2 412.515 2.774 50 0 HFAALO Cc1ccc(-c2noc(CN3CCN(c4cc(NCC5CC5)[nH+]cn4)CC3)n2)cc1 ZINC000089642561 569261684 /nfs/dbraw/zinc/26/16/84/569261684.db2.gz ZQIBEBPYMUQYJF-UHFFFAOYSA-N 1 2 405.506 2.979 50 0 HFAALO C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089904944 569268177 /nfs/dbraw/zinc/26/81/77/569268177.db2.gz CUNXXLKYQZLUCJ-QMHKHESXSA-N 1 2 417.469 2.517 50 0 HFAALO O=C(c1cccs1)N1CCc2[nH+]c(N3CCCCC3)nc(N3CCOCC3)c2C1 ZINC000037580681 569308066 /nfs/dbraw/zinc/30/80/66/569308066.db2.gz YCMVCDXKECXBIB-UHFFFAOYSA-N 1 2 413.547 2.564 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000003537493 569321189 /nfs/dbraw/zinc/32/11/89/569321189.db2.gz MOMXVPMAPIOEPV-UHFFFAOYSA-N 1 2 419.466 2.953 50 0 HFAALO CN(C)[C@@H](C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)c1c[nH+]cn1C ZINC000328592173 569415314 /nfs/dbraw/zinc/41/53/14/569415314.db2.gz HKKZABGALXRFEI-OAQYLSRUSA-N 1 2 404.474 2.888 50 0 HFAALO COc1cc(OC)cc([C@@H](NS(=O)(=O)c2cccc(F)c2)c2[nH+]ccn2C)c1 ZINC000008725198 571107981 /nfs/dbraw/zinc/10/79/81/571107981.db2.gz UUMIQLFSDWEQBJ-GOSISDBHSA-N 1 2 405.451 2.644 50 0 HFAALO Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4c[nH+]c[nH]4)c12)OC(C)(C)CC3 ZINC000008764487 571114645 /nfs/dbraw/zinc/11/46/45/571114645.db2.gz NMJQQZYVKHDANS-UHFFFAOYSA-N 1 2 411.458 2.666 50 0 biogenic HFAALO Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCc4c[nH]c[nH+]4)c12)OC(C)(C)CC3 ZINC000008764487 571114647 /nfs/dbraw/zinc/11/46/47/571114647.db2.gz NMJQQZYVKHDANS-UHFFFAOYSA-N 1 2 411.458 2.666 50 0 biogenic HFAALO O=C(CSc1ccc2c(c1)OCCO2)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000040059910 571146870 /nfs/dbraw/zinc/14/68/70/571146870.db2.gz PVJFBYZGEFSNOS-LJQANCHMSA-N 1 2 414.527 2.740 50 0 HFAALO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccccc2)cc1 ZINC000009094947 571220760 /nfs/dbraw/zinc/22/07/60/571220760.db2.gz PWUKQAZYXUSYLN-UHFFFAOYSA-N 1 2 412.515 2.593 50 0 HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)NC2=O)cc1 ZINC000009526749 571265943 /nfs/dbraw/zinc/26/59/43/571265943.db2.gz LHYOHVOCODEBDA-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 biogenic HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(F)c(F)c4)CC3)NC2=O)cc1 ZINC000009526763 571265960 /nfs/dbraw/zinc/26/59/60/571265960.db2.gz PSWGMKHJRUXBBD-UHFFFAOYSA-N 1 2 412.440 2.623 50 0 biogenic HFAALO Cc1cccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(Cl)cc2)C(=O)N3)c1 ZINC000009526840 571266011 /nfs/dbraw/zinc/26/60/11/571266011.db2.gz BKXPHBCUXCFOIK-UHFFFAOYSA-N 1 2 410.905 2.998 50 0 biogenic HFAALO CC[NH+]1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004149923 132272269 /nfs/dbraw/zinc/27/22/69/132272269.db2.gz XDPBHVVYPDPDPS-UHFFFAOYSA-N 1 2 411.531 2.881 50 0 HFAALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000007220385 132322972 /nfs/dbraw/zinc/32/29/72/132322972.db2.gz QXOXSHPHXBYZHS-KRWDZBQOSA-N 1 2 413.518 2.999 50 0 HFAALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000007220385 132322974 /nfs/dbraw/zinc/32/29/74/132322974.db2.gz QXOXSHPHXBYZHS-KRWDZBQOSA-N 1 2 413.518 2.999 50 0 HFAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CC(=O)Nc2ccccc21 ZINC000008314668 132329512 /nfs/dbraw/zinc/32/95/12/132329512.db2.gz JXYMHLXSALARBO-SFHVURJKSA-N 1 2 407.470 2.970 50 0 HFAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CC(=O)Nc2ccccc21 ZINC000008314668 132329513 /nfs/dbraw/zinc/32/95/13/132329513.db2.gz JXYMHLXSALARBO-SFHVURJKSA-N 1 2 407.470 2.970 50 0 HFAALO Cc1ccoc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000012471057 132361027 /nfs/dbraw/zinc/36/10/27/132361027.db2.gz RKZPGPILDKXCEQ-LJQANCHMSA-N 1 2 410.518 2.964 50 0 HFAALO CCN1C[C@@H](C[N@H+](C)CN2C(=O)NC3(CCCCCC3)C2=O)Oc2ccccc21 ZINC000012543737 132362663 /nfs/dbraw/zinc/36/26/63/132362663.db2.gz BNYXDKMCVRCDDQ-QGZVFWFLSA-N 1 2 400.523 2.808 50 0 HFAALO CCN1C[C@@H](C[N@@H+](C)CN2C(=O)NC3(CCCCCC3)C2=O)Oc2ccccc21 ZINC000012543737 132362664 /nfs/dbraw/zinc/36/26/64/132362664.db2.gz BNYXDKMCVRCDDQ-QGZVFWFLSA-N 1 2 400.523 2.808 50 0 HFAALO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000012556230 132363738 /nfs/dbraw/zinc/36/37/38/132363738.db2.gz HGNYBWAWNQZIEU-LJQANCHMSA-N 1 2 408.546 2.857 50 0 HFAALO CC(C)c1nnc(NC(=O)CCCC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000040267864 519889610 /nfs/dbraw/zinc/88/96/10/519889610.db2.gz LRDPXULKEOZMAT-UHFFFAOYSA-N 1 2 402.524 2.514 50 0 HFAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000020168041 521389448 /nfs/dbraw/zinc/38/94/48/521389448.db2.gz YXNKCDGUYZCBOU-UHFFFAOYSA-N 1 2 405.520 2.891 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1[nH+]ccn1C ZINC000032802531 524739399 /nfs/dbraw/zinc/73/93/99/524739399.db2.gz UHCHBBVEXKORJN-HXUWFJFHSA-N 1 2 408.458 2.789 50 0 HFAALO COc1ccc(OCc2noc(C[NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000032868825 524979206 /nfs/dbraw/zinc/97/92/06/524979206.db2.gz XSWUYHOCRIHZLI-AWEZNQCLSA-N 1 2 417.487 2.912 50 0 HFAALO COc1ccc([C@@H](CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)[NH+]2CCOCC2)cc1 ZINC000024759874 525179103 /nfs/dbraw/zinc/17/91/03/525179103.db2.gz OSSYYJDLYMCDKR-NCMXAVOXSA-N 1 2 423.513 2.857 50 0 HFAALO CC(=O)c1ccc(N2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)CC2)c(F)c1 ZINC000009905740 534847551 /nfs/dbraw/zinc/84/75/51/534847551.db2.gz NZHCKAFIYKQUJL-UHFFFAOYSA-N 1 2 401.507 2.797 50 0 HFAALO CC(=O)c1ccc(N2CCN(C(=O)C[N@H+]3CCc4sccc4C3)CC2)c(F)c1 ZINC000009905740 534847556 /nfs/dbraw/zinc/84/75/56/534847556.db2.gz NZHCKAFIYKQUJL-UHFFFAOYSA-N 1 2 401.507 2.797 50 0 HFAALO Cc1ccc(-c2nc(CN3CC[NH+](CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)no2)cc1 ZINC000032760104 525811046 /nfs/dbraw/zinc/81/10/46/525811046.db2.gz GLUYPCKPYWKZKL-KDURUIRLSA-N 1 2 411.550 2.667 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)c1 ZINC000036385713 525946049 /nfs/dbraw/zinc/94/60/49/525946049.db2.gz UQANRKGMGLONLZ-JOCHJYFZSA-N 1 2 406.530 2.950 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3cccn3-c3cccnc3)C[C@H]2CCO)c1 ZINC000036385713 525946053 /nfs/dbraw/zinc/94/60/53/525946053.db2.gz UQANRKGMGLONLZ-JOCHJYFZSA-N 1 2 406.530 2.950 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1cc2c(cc1Cl)OCCO2 ZINC000043902839 526789836 /nfs/dbraw/zinc/78/98/36/526789836.db2.gz BUOMGMBPDZCAKI-UHFFFAOYSA-N 1 2 404.854 2.665 50 0 HFAALO O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032809224 526806018 /nfs/dbraw/zinc/80/60/18/526806018.db2.gz WQWJWEXNJXAHJN-QFIPXVFZSA-N 1 2 405.502 2.745 50 0 HFAALO O=C(CSc1nncn1-c1ccccc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000032745107 527091237 /nfs/dbraw/zinc/09/12/37/527091237.db2.gz HMUHDHMITANAER-UHFFFAOYSA-N 1 2 423.542 2.508 50 0 HFAALO O=C(CSc1nncn1Cc1ccco1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032870607 527091751 /nfs/dbraw/zinc/09/17/51/527091751.db2.gz VZOTVMBUNMAPGX-XBXARRHUSA-N 1 2 423.542 2.869 50 0 HFAALO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043398467 527112601 /nfs/dbraw/zinc/11/26/01/527112601.db2.gz YHVRIKOYJUMCBO-UHFFFAOYSA-N 1 2 415.925 2.921 50 0 HFAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000043941417 527610527 /nfs/dbraw/zinc/61/05/27/527610527.db2.gz RUMUEQDPBXNVPR-UHFFFAOYSA-N 1 2 422.407 2.952 50 0 HFAALO COc1c(C)cc(-c2ccc3nc(C(=O)NCC[NH+]4CCOCC4)cn3c2)cc1C ZINC000034831172 557466442 /nfs/dbraw/zinc/46/64/42/557466442.db2.gz LMWVDUJIJISVHA-UHFFFAOYSA-N 1 2 408.502 2.689 50 0 HFAALO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)cc1C ZINC000004809463 557600036 /nfs/dbraw/zinc/60/00/36/557600036.db2.gz OERGSYKBKPDPPB-UHFFFAOYSA-N 1 2 401.532 2.800 50 0 HFAALO CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NN1CC[NH+](C)CC1 ZINC000005042046 557628818 /nfs/dbraw/zinc/62/88/18/557628818.db2.gz HLFKHSNLLAPKBK-UHFFFAOYSA-N 1 2 418.588 2.964 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3c(OC)cccc3OC)CC2)c(OC)c1 ZINC000019774005 558280904 /nfs/dbraw/zinc/28/09/04/558280904.db2.gz XKNQNPUZMXCURK-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COC1CC[NH+](Cc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn32)CC1 ZINC000011819317 558282488 /nfs/dbraw/zinc/28/24/88/558282488.db2.gz ZVAFLARUNJXZGO-GASCZTMLSA-N 1 2 420.941 2.848 50 0 HFAALO C[C@H]1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC[N@@H+]1C ZINC000019800110 558285342 /nfs/dbraw/zinc/28/53/42/558285342.db2.gz GMDCUALCYBGIET-KRWDZBQOSA-N 1 2 408.612 2.783 50 0 HFAALO C[C@H]1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC[N@H+]1C ZINC000019800110 558285346 /nfs/dbraw/zinc/28/53/46/558285346.db2.gz GMDCUALCYBGIET-KRWDZBQOSA-N 1 2 408.612 2.783 50 0 HFAALO COc1cccc(C[NH+]2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)c1 ZINC000020274266 558353316 /nfs/dbraw/zinc/35/33/16/558353316.db2.gz QDXAIXWVHVEXSA-UHFFFAOYSA-N 1 2 419.323 2.609 50 0 HFAALO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020281521 558353553 /nfs/dbraw/zinc/35/35/53/558353553.db2.gz CTBHMDKPRJDQDT-UHFFFAOYSA-N 1 2 413.499 2.717 50 0 HFAALO C[N@@H+]1CCc2c(sc3nc(SCC(N)=O)n(-c4ccc(Cl)cc4)c(=O)c32)C1 ZINC000020331117 558355919 /nfs/dbraw/zinc/35/59/19/558355919.db2.gz VIVATTLBOZUIIZ-UHFFFAOYSA-N 1 2 420.947 2.666 50 0 HFAALO C[N@H+]1CCc2c(sc3nc(SCC(N)=O)n(-c4ccc(Cl)cc4)c(=O)c32)C1 ZINC000020331117 558355922 /nfs/dbraw/zinc/35/59/22/558355922.db2.gz VIVATTLBOZUIIZ-UHFFFAOYSA-N 1 2 420.947 2.666 50 0 HFAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530924 558384316 /nfs/dbraw/zinc/38/43/16/558384316.db2.gz NOPNNHQFMKXYPD-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530924 558384319 /nfs/dbraw/zinc/38/43/19/558384319.db2.gz NOPNNHQFMKXYPD-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530924 558384324 /nfs/dbraw/zinc/38/43/24/558384324.db2.gz NOPNNHQFMKXYPD-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530924 558384328 /nfs/dbraw/zinc/38/43/28/558384328.db2.gz NOPNNHQFMKXYPD-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO O=C(c1cc(-n2cnnn2)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020678125 558400318 /nfs/dbraw/zinc/40/03/18/558400318.db2.gz VNXCGMSYPSLLOZ-QPJJXVBHSA-N 1 2 408.893 2.787 50 0 HFAALO Cc1nc(-c2cc3ccc(OCC(=O)NCCc4c[nH+]c[nH]4)cc3oc2=O)cs1 ZINC000020746077 558411317 /nfs/dbraw/zinc/41/13/17/558411317.db2.gz LEJLQNWBKIENSJ-UHFFFAOYSA-N 1 2 410.455 2.686 50 0 HFAALO Cc1nc(-c2cc3ccc(OCC(=O)NCCc4c[nH]c[nH+]4)cc3oc2=O)cs1 ZINC000020746077 558411318 /nfs/dbraw/zinc/41/13/18/558411318.db2.gz LEJLQNWBKIENSJ-UHFFFAOYSA-N 1 2 410.455 2.686 50 0 HFAALO CCN(C(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000020811716 558416574 /nfs/dbraw/zinc/41/65/74/558416574.db2.gz GDBLLDRMBHIZSL-SFHVURJKSA-N 1 2 418.557 2.952 50 0 HFAALO CC(C)C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[NH+]1CCOCC1 ZINC000012937222 558486706 /nfs/dbraw/zinc/48/67/06/558486706.db2.gz OVUWHSNGAZIZHP-LJQANCHMSA-N 1 2 414.525 2.977 50 0 HFAALO CCn1ncc(C[NH+]2CCN(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)CC2)c1C ZINC000022437999 558489736 /nfs/dbraw/zinc/48/97/36/558489736.db2.gz ZULQZCJMIIPLDL-OAHLLOKOSA-N 1 2 412.460 2.641 50 0 HFAALO COc1ccc(-c2nc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)cs2)cc1OC ZINC000022611639 558502240 /nfs/dbraw/zinc/50/22/40/558502240.db2.gz LZWMLYIHKLOOCX-QGZVFWFLSA-N 1 2 419.547 2.914 50 0 HFAALO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000013061637 558509998 /nfs/dbraw/zinc/50/99/98/558509998.db2.gz GUXHPZXLMVRRNN-QRQCRPRQSA-N 1 2 401.507 2.984 50 0 HFAALO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000013061637 558510000 /nfs/dbraw/zinc/51/00/00/558510000.db2.gz GUXHPZXLMVRRNN-QRQCRPRQSA-N 1 2 401.507 2.984 50 0 HFAALO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2cccc(C)c2C)CC1 ZINC000022780755 558510040 /nfs/dbraw/zinc/51/00/40/558510040.db2.gz GIPHUAAQXFXLFD-FQEVSTJZSA-N 1 2 400.567 2.651 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1N1CCCC1 ZINC000022788596 558511535 /nfs/dbraw/zinc/51/15/35/558511535.db2.gz MNPVEYKLVSVUOX-UHFFFAOYSA-N 1 2 422.529 2.772 50 0 HFAALO Cc1occc1C(=O)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 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2 411.506 2.949 50 0 HFAALO COc1ccc(OC)c(NC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000065236987 569202709 /nfs/dbraw/zinc/20/27/09/569202709.db2.gz BCIAVYPKJRMKLO-UHFFFAOYSA-N 1 2 411.506 2.949 50 0 HFAALO O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000065236998 569202768 /nfs/dbraw/zinc/20/27/68/569202768.db2.gz SPWPQIFQNOEYDO-UHFFFAOYSA-N 1 2 409.490 2.703 50 0 HFAALO O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000065236998 569202769 /nfs/dbraw/zinc/20/27/69/569202769.db2.gz SPWPQIFQNOEYDO-UHFFFAOYSA-N 1 2 409.490 2.703 50 0 HFAALO COc1cccc(CNC(=O)c2cn(-c3cc(N4CCC[C@H](C)C4)[nH+]cn3)cn2)c1 ZINC000065239934 569203706 /nfs/dbraw/zinc/20/37/06/569203706.db2.gz NFKXVWLPAFGBNF-INIZCTEOSA-N 1 2 406.490 2.837 50 0 HFAALO CC1CCN(c2cc(-n3cnc(C(=O)NCc4ccc5c(c4)OCO5)c3)nc[nH+]2)CC1 ZINC000065239886 569203711 /nfs/dbraw/zinc/20/37/11/569203711.db2.gz XOQNAQQNLUGGCB-UHFFFAOYSA-N 1 2 420.473 2.557 50 0 HFAALO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C(=O)OCC)C3)C2)nc[nH+]1 ZINC000065245134 569204938 /nfs/dbraw/zinc/20/49/38/569204938.db2.gz XRKHARUZMJQQAQ-MSOLQXFVSA-N 1 2 417.554 2.707 50 0 HFAALO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC[C@H](C(=O)OCC)C3)C2)[nH+]cn1 ZINC000065245134 569204939 /nfs/dbraw/zinc/20/49/39/569204939.db2.gz XRKHARUZMJQQAQ-MSOLQXFVSA-N 1 2 417.554 2.707 50 0 HFAALO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000036700397 569222851 /nfs/dbraw/zinc/22/28/51/569222851.db2.gz HQOQXERZMYTMQA-OAQYLSRUSA-N 1 2 422.522 2.966 50 0 HFAALO COc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000036700397 569222852 /nfs/dbraw/zinc/22/28/52/569222852.db2.gz HQOQXERZMYTMQA-OAQYLSRUSA-N 1 2 422.522 2.966 50 0 HFAALO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)CC1 ZINC000007435588 569238922 /nfs/dbraw/zinc/23/89/22/569238922.db2.gz DIXOVDHYSWEZPJ-SFHVURJKSA-N 1 2 420.469 2.901 50 0 HFAALO C[C@H]1[C@@H](C(=O)N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000170605148 569244543 /nfs/dbraw/zinc/24/45/43/569244543.db2.gz VEGOHEUOUHPTFJ-HOTGVXAUSA-N 1 2 413.522 2.857 50 0 HFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000007728215 569303656 /nfs/dbraw/zinc/30/36/56/569303656.db2.gz RTDISRCCGPFCAN-UHFFFAOYSA-N 1 2 422.378 2.605 50 0 HFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000007728215 569303658 /nfs/dbraw/zinc/30/36/58/569303658.db2.gz RTDISRCCGPFCAN-UHFFFAOYSA-N 1 2 422.378 2.605 50 0 HFAALO O=S(=O)(Cc1cc(F)ccc1F)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253397628 569365414 /nfs/dbraw/zinc/36/54/14/569365414.db2.gz FVHRNMKJYZISEP-QGZVFWFLSA-N 1 2 402.488 2.767 50 0 HFAALO O=C(N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCN(c2ncccn2)CC1 ZINC000078733217 569420136 /nfs/dbraw/zinc/42/01/36/569420136.db2.gz CMRLHUKJQSRRKV-RTWAWAEBSA-N 1 2 402.502 2.935 50 0 HFAALO CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccc(Cl)cc2)n(C)c1=O ZINC000008704590 571102959 /nfs/dbraw/zinc/10/29/59/571102959.db2.gz RWARHHCRHSNSSH-GFCCVEGCSA-N 1 2 400.870 2.527 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000040071238 571152007 /nfs/dbraw/zinc/15/20/07/571152007.db2.gz QSFLKTOPPXEXIH-MGPUTAFESA-N 1 2 408.458 2.657 50 0 HFAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000040088265 571158667 /nfs/dbraw/zinc/15/86/67/571158667.db2.gz ZFENRLGTFJGBMA-AWEZNQCLSA-N 1 2 402.451 2.642 50 0 HFAALO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040103427 571164016 /nfs/dbraw/zinc/16/40/16/571164016.db2.gz LPVPPIUCFOFRST-UHFFFAOYSA-N 1 2 415.925 2.921 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000244986175 571211974 /nfs/dbraw/zinc/21/19/74/571211974.db2.gz JJAXDKILZYCNOY-INIZCTEOSA-N 1 2 402.882 2.828 50 0 HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1cccc(Cl)c1 ZINC000009526896 571266128 /nfs/dbraw/zinc/26/61/28/571266128.db2.gz OQWXFCQNSWDRCV-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2 ZINC000009526895 571266134 /nfs/dbraw/zinc/26/61/34/571266134.db2.gz LOXMQTWJIPJWNB-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO COc1ccccc1CN1C(SCc2ccccc2)=[NH+][C@H]2CS(=O)(=O)C[C@H]21 ZINC000009530806 571266928 /nfs/dbraw/zinc/26/69/28/571266928.db2.gz WTCPXCIOXJRJAN-ZWKOTPCHSA-N 1 2 402.541 2.966 50 0 HFAALO Cc1cccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccccc2)c1 ZINC000009668804 571278359 /nfs/dbraw/zinc/27/83/59/571278359.db2.gz QHIVPKIWEQAZSV-UHFFFAOYSA-N 1 2 412.515 2.593 50 0 HFAALO O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070974783 571284090 /nfs/dbraw/zinc/28/40/90/571284090.db2.gz LKEXLIHTUXORQP-UHFFFAOYSA-N 1 2 403.273 2.932 50 0 HFAALO COc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000071332878 571292790 /nfs/dbraw/zinc/29/27/90/571292790.db2.gz QLPARBVMAGEBIE-CQSZACIVSA-N 1 2 417.897 2.602 50 0 HFAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc2ccccc2s1 ZINC000071333354 571292799 /nfs/dbraw/zinc/29/27/99/571292799.db2.gz BOKGATYQEBSBSA-CQSZACIVSA-N 1 2 410.503 2.550 50 0 HFAALO COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)c1 ZINC000010313212 571300154 /nfs/dbraw/zinc/30/01/54/571300154.db2.gz GKMHIHBLRNFJLU-UHFFFAOYSA-N 1 2 408.458 2.973 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000010393172 571301971 /nfs/dbraw/zinc/30/19/71/571301971.db2.gz ZISQEKIMUXILEF-KRWDZBQOSA-N 1 2 418.906 2.964 50 0 HFAALO CCN(CC)C(=O)[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(OC)cc2)C1 ZINC000004659353 132281029 /nfs/dbraw/zinc/28/10/29/132281029.db2.gz IUWWNHTVILOLQX-MRXNPFEDSA-N 1 2 408.506 2.909 50 0 HFAALO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000007007619 132322171 /nfs/dbraw/zinc/32/21/71/132322171.db2.gz VKNPZHMDOCVTNA-HNNXBMFYSA-N 1 2 422.451 2.936 50 0 HFAALO Cc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000012441692 132360238 /nfs/dbraw/zinc/36/02/38/132360238.db2.gz NJGFNODPPLIJRT-FQEVSTJZSA-N 1 2 421.545 2.766 50 0 HFAALO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012553682 132363271 /nfs/dbraw/zinc/36/32/71/132363271.db2.gz OZAJZHFXGDQTLI-HXUWFJFHSA-N 1 2 410.537 2.681 50 0 HFAALO COc1ccccc1CNC(=O)[C@@H](C)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000012785680 132367279 /nfs/dbraw/zinc/36/72/79/132367279.db2.gz IVEIHXMCTUTXRW-GOSISDBHSA-N 1 2 411.550 2.744 50 0 HFAALO C[N@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccc(Cl)c(Cl)c1 ZINC000012853494 132367862 /nfs/dbraw/zinc/36/78/62/132367862.db2.gz WBPVLWXKADPSII-KRWDZBQOSA-N 1 2 408.285 2.705 50 0 HFAALO C[N@@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccc(Cl)c(Cl)c1 ZINC000012853494 132367863 /nfs/dbraw/zinc/36/78/63/132367863.db2.gz WBPVLWXKADPSII-KRWDZBQOSA-N 1 2 408.285 2.705 50 0 HFAALO CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000032802685 518348612 /nfs/dbraw/zinc/34/86/12/518348612.db2.gz WFJJXEMFEYKNHK-UHFFFAOYSA-N 1 2 404.474 2.502 50 0 HFAALO CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2C[C@H]1C ZINC000032935884 519639958 /nfs/dbraw/zinc/63/99/58/519639958.db2.gz TVSBFAQNDBFEQQ-MRXNPFEDSA-N 1 2 424.526 2.707 50 0 HFAALO CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000032744929 519820131 /nfs/dbraw/zinc/82/01/31/519820131.db2.gz YRMZAFJYGZAEJQ-NRFANRHFSA-N 1 2 415.559 2.750 50 0 HFAALO CCOc1ccc(CC(=O)NC2CC[NH+](Cc3nc(-c4ccncc4)no3)CC2)cc1 ZINC000040956296 520936600 /nfs/dbraw/zinc/93/66/00/520936600.db2.gz LERFMGFPYCKUKV-UHFFFAOYSA-N 1 2 421.501 2.854 50 0 HFAALO COc1cc(OC)cc([C@H](NC(=O)[C@@H]2COc3ccccc3C2)c2[nH+]ccn2C)c1 ZINC000032843508 522882818 /nfs/dbraw/zinc/88/28/18/522882818.db2.gz KSHMMTQVFUDXNT-UWJYYQICSA-N 1 2 407.470 2.894 50 0 HFAALO O=C(CN1CCCC1=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000024097039 526734481 /nfs/dbraw/zinc/73/44/81/526734481.db2.gz PMUAXOYDGXISIA-UHFFFAOYSA-N 1 2 413.468 2.821 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)N[C@H]1CCCc2ccccc21 ZINC000022805677 526774787 /nfs/dbraw/zinc/77/47/87/526774787.db2.gz QPNHISOARCQYBO-QHCPKHFHSA-N 1 2 405.542 2.933 50 0 HFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000043121355 527168922 /nfs/dbraw/zinc/16/89/22/527168922.db2.gz UZEADLBMNFRXLT-UHFFFAOYSA-N 1 2 404.474 2.964 50 0 HFAALO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000023805398 527270582 /nfs/dbraw/zinc/27/05/82/527270582.db2.gz DZGKCPNRDJCFCF-GOSISDBHSA-N 1 2 414.449 2.745 50 0 HFAALO C[C@H](C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000097325557 557272971 /nfs/dbraw/zinc/27/29/71/557272971.db2.gz GSABTVYPLYXSNQ-TVRKMHQQSA-N 1 2 403.548 2.930 50 0 HFAALO COc1ccccc1C[NH+]1CCN(Cc2nc(C(=O)NCCC(C)C)co2)CC1 ZINC000034678241 557366276 /nfs/dbraw/zinc/36/62/76/557366276.db2.gz IIDBCASIQZUHCP-UHFFFAOYSA-N 1 2 400.523 2.777 50 0 HFAALO COC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000004810835 557600397 /nfs/dbraw/zinc/60/03/97/557600397.db2.gz BVPBMEXSDNTZKR-FQEVSTJZSA-N 1 2 408.454 2.996 50 0 HFAALO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000019834697 558292219 /nfs/dbraw/zinc/29/22/19/558292219.db2.gz WWOJVITZZNUECK-SFHVURJKSA-N 1 2 414.506 2.906 50 0 HFAALO COc1cc(C[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000019889367 558302528 /nfs/dbraw/zinc/30/25/28/558302528.db2.gz FJASCRDUKUPNEW-UHFFFAOYSA-N 1 2 414.502 2.744 50 0 HFAALO O=C(Nc1ccc2c(c1)COC2)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1C/C=C/c1ccccc1 ZINC000012020345 558309509 /nfs/dbraw/zinc/30/95/09/558309509.db2.gz VQHFXLOZJLJNMK-LNXRDCKCSA-N 1 2 416.485 2.671 50 0 HFAALO O=C(Nc1ccc2c(c1)COC2)[C@@H]1C[C@@H](n2cnnn2)C[N@H+]1C/C=C/c1ccccc1 ZINC000012020345 558309511 /nfs/dbraw/zinc/30/95/11/558309511.db2.gz VQHFXLOZJLJNMK-LNXRDCKCSA-N 1 2 416.485 2.671 50 0 HFAALO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3n2)c1 ZINC000020024764 558322094 /nfs/dbraw/zinc/32/20/94/558322094.db2.gz HEARNHWBPOUIFW-UHFFFAOYSA-N 1 2 419.407 2.811 50 0 HFAALO O=C(c1cccs1)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020167753 558343111 /nfs/dbraw/zinc/34/31/11/558343111.db2.gz OHCKYJQEQDENBW-SFHVURJKSA-N 1 2 413.543 2.899 50 0 HFAALO O=C(Cn1nnnc1C[NH+]1CCCCCC1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000012202748 558351668 /nfs/dbraw/zinc/35/16/68/558351668.db2.gz RFMRAPQCOPOKEE-UHFFFAOYSA-N 1 2 406.534 2.636 50 0 HFAALO O=C(NCC1([NH+]2CCOCC2)CCCC1)c1coc(COc2cccc(F)c2)n1 ZINC000020294401 558354151 /nfs/dbraw/zinc/35/41/51/558354151.db2.gz OUEGHOKQNLGANY-UHFFFAOYSA-N 1 2 403.454 2.768 50 0 HFAALO CSc1nc2sc3c(c2c(SCC(=O)NC[C@H]2CCCO2)n1)CC[N@@H+](C)C3 ZINC000020441956 558363813 /nfs/dbraw/zinc/36/38/13/558363813.db2.gz GHLJGZBNKWHZMI-LLVKDONJSA-N 1 2 424.617 2.788 50 0 HFAALO CSc1nc2sc3c(c2c(SCC(=O)NC[C@H]2CCCO2)n1)CC[N@H+](C)C3 ZINC000020441956 558363815 /nfs/dbraw/zinc/36/38/15/558363815.db2.gz GHLJGZBNKWHZMI-LLVKDONJSA-N 1 2 424.617 2.788 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCC[C@@H](CCCO)C2)n1Cc1ccccc1 ZINC000012313764 558377107 /nfs/dbraw/zinc/37/71/07/558377107.db2.gz QFAPTRFVPOYMGE-SFHVURJKSA-N 1 2 405.564 2.710 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCC[C@@H](CCCO)C2)n1Cc1ccccc1 ZINC000012313764 558377109 /nfs/dbraw/zinc/37/71/09/558377109.db2.gz QFAPTRFVPOYMGE-SFHVURJKSA-N 1 2 405.564 2.710 50 0 HFAALO O=c1oc2c(cc(Cl)c3c2CN(CC[NH+]2CCOCC2)CO3)c2c1CCCC2 ZINC000020650881 558397914 /nfs/dbraw/zinc/39/79/14/558397914.db2.gz QABGYISUBRLOBT-UHFFFAOYSA-N 1 2 404.894 2.809 50 0 HFAALO CC[NH+]1CCN(CC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000020914714 558422734 /nfs/dbraw/zinc/42/27/34/558422734.db2.gz OYBFPPRSHCRIIY-NRFANRHFSA-N 1 2 419.569 2.997 50 0 HFAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)NCCc2cccc(Cl)c2)CC1 ZINC000012714552 558454391 /nfs/dbraw/zinc/45/43/91/558454391.db2.gz XHBARSLCCCEWIS-UHFFFAOYSA-N 1 2 404.946 2.698 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000022065224 558461103 /nfs/dbraw/zinc/46/11/03/558461103.db2.gz WJVTZXONFDILBW-UHFFFAOYSA-N 1 2 416.909 2.653 50 0 HFAALO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000013041089 558507203 /nfs/dbraw/zinc/50/72/03/558507203.db2.gz ZBUUQIMZHNSCKX-HXUWFJFHSA-N 1 2 408.546 2.877 50 0 HFAALO O=C(CN1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)Nc1cccc2nonc21 ZINC000022752262 558507651 /nfs/dbraw/zinc/50/76/51/558507651.db2.gz WAVQLBXESCAODE-UHFFFAOYSA-N 1 2 419.407 2.998 50 0 HFAALO O=C([C@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCC1 ZINC000022774569 558509074 /nfs/dbraw/zinc/50/90/74/558509074.db2.gz OMEDZFRVBKZMSP-QHCPKHFHSA-N 1 2 407.514 2.897 50 0 HFAALO O=C([C@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCCC1 ZINC000022774569 558509077 /nfs/dbraw/zinc/50/90/77/558509077.db2.gz OMEDZFRVBKZMSP-QHCPKHFHSA-N 1 2 407.514 2.897 50 0 HFAALO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000013098098 558513917 /nfs/dbraw/zinc/51/39/17/558513917.db2.gz AJXVZWHRAFMHPA-XMMPIXPASA-N 1 2 404.514 2.722 50 0 HFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000022812136 558514299 /nfs/dbraw/zinc/51/42/99/558514299.db2.gz UFNUDBQFRBJTAO-QFIPXVFZSA-N 1 2 414.594 2.663 50 0 HFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000022812136 558514302 /nfs/dbraw/zinc/51/43/02/558514302.db2.gz UFNUDBQFRBJTAO-QFIPXVFZSA-N 1 2 414.594 2.663 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000022834567 558515785 /nfs/dbraw/zinc/51/57/85/558515785.db2.gz NKVRMIRHTOQNMR-HSZRJFAPSA-N 1 2 421.541 2.921 50 0 HFAALO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022913128 558520204 /nfs/dbraw/zinc/52/02/04/558520204.db2.gz PTRRPBYIHCYVPG-QGZVFWFLSA-N 1 2 406.958 2.543 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000022913110 558520251 /nfs/dbraw/zinc/52/02/51/558520251.db2.gz GCCMYCNVMYIDLV-LJQANCHMSA-N 1 2 400.567 2.731 50 0 HFAALO CCOc1cc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)ccc1O ZINC000023145797 558538407 /nfs/dbraw/zinc/53/84/07/558538407.db2.gz RJJDSQYOJNVHTH-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1cc(C[N@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)ccc1O ZINC000023145797 558538409 /nfs/dbraw/zinc/53/84/09/558538409.db2.gz RJJDSQYOJNVHTH-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000023762869 558574962 /nfs/dbraw/zinc/57/49/62/558574962.db2.gz GAGZXGQOFIWYFZ-QFIPXVFZSA-N 1 2 407.514 2.546 50 0 HFAALO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccccc3F)CC2)nc1)N1CCCCC1 ZINC000023817536 558576816 /nfs/dbraw/zinc/57/68/16/558576816.db2.gz JICVMCZKFCYIKK-UHFFFAOYSA-N 1 2 418.538 2.718 50 0 HFAALO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024302661 558594786 /nfs/dbraw/zinc/59/47/86/558594786.db2.gz AWFBWQJQGHHDKF-UHFFFAOYSA-N 1 2 418.497 2.949 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000024831778 558615041 /nfs/dbraw/zinc/61/50/41/558615041.db2.gz VQUKVVSXDSKTHL-WWKNUYBVSA-N 1 2 406.530 2.958 50 0 HFAALO COc1ccc([C@H](CNC(=O)Cc2ccc(OC)c(F)c2)[NH+]2CCOCC2)cc1 ZINC000014113690 558621109 /nfs/dbraw/zinc/62/11/09/558621109.db2.gz OARYSFBBYMVDFH-FQEVSTJZSA-N 1 2 402.466 2.575 50 0 HFAALO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1Cl ZINC000024986481 558625097 /nfs/dbraw/zinc/62/50/97/558625097.db2.gz BPKFXZPNEBVUCY-SFHVURJKSA-N 1 2 421.950 2.719 50 0 HFAALO CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1Cl ZINC000024986481 558625100 /nfs/dbraw/zinc/62/51/00/558625100.db2.gz BPKFXZPNEBVUCY-SFHVURJKSA-N 1 2 421.950 2.719 50 0 HFAALO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(NC(=O)c4ccccc4)CC3)C2=O)c(C)c1 ZINC000014198859 558634969 /nfs/dbraw/zinc/63/49/69/558634969.db2.gz JZHIFILDAVUORU-OAQYLSRUSA-N 1 2 405.498 2.830 50 0 HFAALO O=C(Cc1nc(-c2ccc(Br)s2)cs1)NCC[NH+]1CCOCC1 ZINC000025437029 558641168 /nfs/dbraw/zinc/64/11/68/558641168.db2.gz COSYMTAJOPRRCT-UHFFFAOYSA-N 1 2 416.366 2.625 50 0 HFAALO COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000025637768 558646368 /nfs/dbraw/zinc/64/63/68/558646368.db2.gz SOMBMHHRAFGHDN-UHFFFAOYSA-N 1 2 420.513 2.606 50 0 HFAALO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000025637986 558646634 /nfs/dbraw/zinc/64/66/34/558646634.db2.gz AGNNQQZDCAIQGA-UHFFFAOYSA-N 1 2 404.514 2.657 50 0 HFAALO Cc1ccc(CSCCNC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000026255513 558657852 /nfs/dbraw/zinc/65/78/52/558657852.db2.gz JKXPGMGXGOSKBJ-UHFFFAOYSA-N 1 2 400.548 2.959 50 0 HFAALO Cc1c(C[N@H+]2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccn3)C2)cnn1C ZINC000014540597 558659650 /nfs/dbraw/zinc/65/96/50/558659650.db2.gz UXCPFHMVQVXISP-JOCHJYFZSA-N 1 2 411.550 2.686 50 0 HFAALO Cc1c(C[N@@H+]2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccn3)C2)cnn1C ZINC000014540597 558659653 /nfs/dbraw/zinc/65/96/53/558659653.db2.gz UXCPFHMVQVXISP-JOCHJYFZSA-N 1 2 411.550 2.686 50 0 HFAALO Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000014573739 558661453 /nfs/dbraw/zinc/66/14/53/558661453.db2.gz NJUQMIJBPMFLIW-GOSISDBHSA-N 1 2 415.559 2.731 50 0 HFAALO COc1cccc(CO[C@H]2CN(Cc3[nH]c[nH+]c3C)CC(=O)N(CC(C)C)C2)c1 ZINC000014733152 558666142 /nfs/dbraw/zinc/66/61/42/558666142.db2.gz YPYQASODZNEFDT-FQEVSTJZSA-N 1 2 400.523 2.612 50 0 HFAALO CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000011033995 558704308 /nfs/dbraw/zinc/70/43/08/558704308.db2.gz PPMJJRNJGMTODO-OAQYLSRUSA-N 1 2 420.469 2.750 50 0 HFAALO COc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC000072278434 558704699 /nfs/dbraw/zinc/70/46/99/558704699.db2.gz KSKDESXOHXDJBO-UHFFFAOYSA-N 1 2 403.504 2.506 50 0 HFAALO Cc1cccc(CN2CCN(C(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)CCC2=O)c1 ZINC000015071250 558712992 /nfs/dbraw/zinc/71/29/92/558712992.db2.gz DZRPUYWGCGJFNO-NRFANRHFSA-N 1 2 406.530 2.868 50 0 HFAALO O=c1oc2cc(Br)ccc2n1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000029499907 558715948 /nfs/dbraw/zinc/71/59/48/558715948.db2.gz ARVOTKWHWNBFGU-UHFFFAOYSA-N 1 2 403.280 2.527 50 0 HFAALO COc1cccc(N2C[C@H](C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2=O)c1 ZINC000030216735 558728156 /nfs/dbraw/zinc/72/81/56/558728156.db2.gz LNHZSQOLSZKCBU-LJQANCHMSA-N 1 2 404.470 2.609 50 0 HFAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000030495915 558730788 /nfs/dbraw/zinc/73/07/88/558730788.db2.gz UDDGHJITDPKCFD-UHFFFAOYSA-N 1 2 413.543 2.628 50 0 HFAALO O=C(c1cccc(Nc2ncccn2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000030513413 558731268 /nfs/dbraw/zinc/73/12/68/558731268.db2.gz FZFPCPSBCKZOMZ-UHFFFAOYSA-N 1 2 417.469 2.907 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CCNC(=O)c2ccccc2C)cc1 ZINC000030538594 558732102 /nfs/dbraw/zinc/73/21/02/558732102.db2.gz GTNDIBKDCMVAFE-JOCHJYFZSA-N 1 2 409.530 2.613 50 0 HFAALO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000015480393 558741007 /nfs/dbraw/zinc/74/10/07/558741007.db2.gz QEFJMXYAMTZCFJ-GOSISDBHSA-N 1 2 402.451 2.586 50 0 HFAALO Cc1[nH+]cc(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1-c1ccccc1 ZINC000072305598 558761054 /nfs/dbraw/zinc/76/10/54/558761054.db2.gz DNCAMECVVBPZOG-UHFFFAOYSA-N 1 2 419.485 2.975 50 0 HFAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000072308313 558770303 /nfs/dbraw/zinc/77/03/03/558770303.db2.gz WWXIDHBSEZCVCO-KRWDZBQOSA-N 1 2 413.518 2.903 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000035031930 558782133 /nfs/dbraw/zinc/78/21/33/558782133.db2.gz IEFLQJYSYFXCQH-UHFFFAOYSA-N 1 2 408.911 2.920 50 0 HFAALO COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000072311587 558788014 /nfs/dbraw/zinc/78/80/14/558788014.db2.gz LVBXENYOQVJMTB-ZBEGNZNMSA-N 1 2 419.279 2.588 50 0 HFAALO COc1ccc(F)c(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 ZINC000039445453 558821272 /nfs/dbraw/zinc/82/12/72/558821272.db2.gz PBGITDJTIKUAKX-LJQANCHMSA-N 1 2 418.509 2.920 50 0 HFAALO COc1ccc(F)c(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)c1 ZINC000039445453 558821275 /nfs/dbraw/zinc/82/12/75/558821275.db2.gz PBGITDJTIKUAKX-LJQANCHMSA-N 1 2 418.509 2.920 50 0 HFAALO COc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(OC)c1OC ZINC000019369742 558878112 /nfs/dbraw/zinc/87/81/12/558878112.db2.gz CSUCQQNIZXGLJK-UHFFFAOYSA-N 1 2 400.475 2.759 50 0 HFAALO COc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)c1OC ZINC000019369742 558878115 /nfs/dbraw/zinc/87/81/15/558878115.db2.gz CSUCQQNIZXGLJK-UHFFFAOYSA-N 1 2 400.475 2.759 50 0 HFAALO C[C@@H]1NC(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)=NN(c2ccccc2)C1=O ZINC000058049927 558896733 /nfs/dbraw/zinc/89/67/33/558896733.db2.gz WWOJHGHYMJZLNZ-AWEZNQCLSA-N 1 2 402.458 2.578 50 0 HFAALO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000058086242 558898242 /nfs/dbraw/zinc/89/82/42/558898242.db2.gz MNDRAIHHDPDKAG-UHFFFAOYSA-N 1 2 417.473 2.563 50 0 HFAALO COc1cc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC ZINC000058165864 558906740 /nfs/dbraw/zinc/90/67/40/558906740.db2.gz PQTPYLAJECECTM-UHFFFAOYSA-N 1 2 403.454 2.612 50 0 HFAALO COc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000033247469 558916539 /nfs/dbraw/zinc/91/65/39/558916539.db2.gz MESKRQLALBMKHG-YVMONPNESA-N 1 2 410.470 2.790 50 0 HFAALO C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058402006 558924098 /nfs/dbraw/zinc/92/40/98/558924098.db2.gz AQJSWVWWNGNVLX-PIGZYNQJSA-N 1 2 402.248 2.942 50 0 HFAALO CC(C)[C@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCCC1=O ZINC000058441536 558927619 /nfs/dbraw/zinc/92/76/19/558927619.db2.gz OKRRVUWRHMSJCF-HXUWFJFHSA-N 1 2 407.942 2.510 50 0 HFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)CCc4ccccc4)CC3)[nH+]c(C)n2)n1 ZINC000067601751 558987478 /nfs/dbraw/zinc/98/74/78/558987478.db2.gz MHZUKVDFTUWNRS-UHFFFAOYSA-N 1 2 404.518 2.869 50 0 HFAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)NC3CCCCC3)CC2)c1C ZINC000096833031 558988556 /nfs/dbraw/zinc/98/85/56/558988556.db2.gz TVEVNYILXAMFNZ-IBGZPJMESA-N 1 2 400.567 2.697 50 0 HFAALO COc1cccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)c1 ZINC000067629875 558990271 /nfs/dbraw/zinc/99/02/71/558990271.db2.gz RDBJPHUQAAATLE-UHFFFAOYSA-N 1 2 406.490 2.559 50 0 HFAALO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000023157286 559022303 /nfs/dbraw/zinc/02/23/03/559022303.db2.gz JIYCKLDLJJHVFE-INIZCTEOSA-N 1 2 416.503 2.742 50 0 HFAALO Cc1ccc(C(=O)c2cc3c(cc2NC(=O)CC[NH+]2CCOCC2)OCCO3)cc1 ZINC000098086830 559065135 /nfs/dbraw/zinc/06/51/35/559065135.db2.gz CUTNZCMGYNWHPS-UHFFFAOYSA-N 1 2 410.470 2.658 50 0 HFAALO CCOc1cc(C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)ccc1O ZINC000095497998 559081725 /nfs/dbraw/zinc/08/17/25/559081725.db2.gz RJJDSQYOJNVHTH-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1cc(C[N@H+]2CCN(Cc3cccc(OC)c3)[C@H](CCO)C2)ccc1O ZINC000095497998 559081727 /nfs/dbraw/zinc/08/17/27/559081727.db2.gz RJJDSQYOJNVHTH-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095499558 559081972 /nfs/dbraw/zinc/08/19/72/559081972.db2.gz DWJNFCZAKHNRKQ-UHFFFAOYSA-N 1 2 403.486 2.817 50 0 HFAALO COCCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000096280265 559108705 /nfs/dbraw/zinc/10/87/05/559108705.db2.gz KBBYQQFFTJVRMB-FQEVSTJZSA-N 1 2 421.969 2.809 50 0 HFAALO COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)C[N@H+](Cc3ccc(CO)o3)C2)c1 ZINC000014536826 559167674 /nfs/dbraw/zinc/16/76/74/559167674.db2.gz RALAPEKHHSRIGS-JOCHJYFZSA-N 1 2 416.518 2.666 50 0 HFAALO COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)C[N@@H+](Cc3ccc(CO)o3)C2)c1 ZINC000014536826 559167675 /nfs/dbraw/zinc/16/76/75/559167675.db2.gz RALAPEKHHSRIGS-JOCHJYFZSA-N 1 2 416.518 2.666 50 0 HFAALO COc1ccc(-c2nc(C(=O)N3CC[NH+](C)CC3)nn2-c2ccccc2Cl)cc1 ZINC000014610058 559170938 /nfs/dbraw/zinc/17/09/38/559170938.db2.gz TZXJOSCDIKPLMF-UHFFFAOYSA-N 1 2 411.893 2.984 50 0 HFAALO O=C(Nc1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1)c1ccco1 ZINC000408520942 559215017 /nfs/dbraw/zinc/21/50/17/559215017.db2.gz CHSXJQMJZUAVOV-UHFFFAOYSA-N 1 2 400.460 2.823 50 0 HFAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000248247651 559269254 /nfs/dbraw/zinc/26/92/54/559269254.db2.gz NCKIICZDMBGKNZ-PZJWPPBQSA-N 1 2 420.575 2.790 50 0 HFAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000248247651 559269255 /nfs/dbraw/zinc/26/92/55/559269255.db2.gz NCKIICZDMBGKNZ-PZJWPPBQSA-N 1 2 420.575 2.790 50 0 HFAALO COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000061719717 560536183 /nfs/dbraw/zinc/53/61/83/560536183.db2.gz QLPARBVMAGEBIE-AWEZNQCLSA-N 1 2 417.897 2.602 50 0 HFAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000061931325 560562010 /nfs/dbraw/zinc/56/20/10/560562010.db2.gz MGVWPXLIOFJVJB-UHFFFAOYSA-N 1 2 422.485 2.724 50 0 HFAALO COCCNC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(Cl)cc1 ZINC000005362578 560626067 /nfs/dbraw/zinc/62/60/67/560626067.db2.gz LQVARHWKDPAJDC-UHFFFAOYSA-N 1 2 423.970 2.761 50 0 HFAALO Cc1cccn2cc(CSc3nc(C)nc4c3c(=O)n(C)c(=O)n4CC(C)C)[nH+]c12 ZINC000008762632 560638348 /nfs/dbraw/zinc/63/83/48/560638348.db2.gz NUWKUEFZLGXROK-UHFFFAOYSA-N 1 2 424.530 2.703 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1F ZINC000018237192 560785311 /nfs/dbraw/zinc/78/53/11/560785311.db2.gz ZUOVXTZBYTZQBO-SFHVURJKSA-N 1 2 401.463 2.623 50 0 HFAALO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000103508380 560842638 /nfs/dbraw/zinc/84/26/38/560842638.db2.gz PAFNLBLWJFJPMS-KURKYZTESA-N 1 2 420.985 2.789 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN([C@@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000105125472 560861782 /nfs/dbraw/zinc/86/17/82/560861782.db2.gz OOZDKRJIJFEWIQ-TVFCKZIOSA-N 1 2 416.591 2.999 50 0 HFAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000048250015 568434138 /nfs/dbraw/zinc/43/41/38/568434138.db2.gz YMHVITBXAJMTGC-FQEVSTJZSA-N 1 2 405.506 2.549 50 0 HFAALO O=S(=O)(c1ccc(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)o1)N1CCCC1 ZINC000048299673 568437324 /nfs/dbraw/zinc/43/73/24/568437324.db2.gz WBCAZMUYQKXJQT-SFHVURJKSA-N 1 2 405.520 2.640 50 0 HFAALO O=S(=O)(c1ccc(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)o1)N1CCCC1 ZINC000048299673 568437326 /nfs/dbraw/zinc/43/73/26/568437326.db2.gz WBCAZMUYQKXJQT-SFHVURJKSA-N 1 2 405.520 2.640 50 0 HFAALO CCCCCCN(CC[NH+]1CCOCC1)C(=O)CCN1c2ccccc2OCC1=O ZINC000048332789 568439347 /nfs/dbraw/zinc/43/93/47/568439347.db2.gz WBKNISZZPMXNKW-UHFFFAOYSA-N 1 2 417.550 2.543 50 0 HFAALO CC1CCN(c2cc(-n3cnc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nc[nH+]2)CC1 ZINC000049411236 568450061 /nfs/dbraw/zinc/45/00/61/568450061.db2.gz ANUMZTNLDFPNGP-UHFFFAOYSA-N 1 2 420.473 2.922 50 0 HFAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)NCc1cccc(Cl)c1 ZINC000049549424 568451799 /nfs/dbraw/zinc/45/17/99/568451799.db2.gz PWFIFDZCFACVRU-UHFFFAOYSA-N 1 2 408.907 2.537 50 0 HFAALO Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000218498451 568481085 /nfs/dbraw/zinc/48/10/85/568481085.db2.gz RSCFZXWHPJDZQA-FPOVZHCZSA-N 1 2 420.513 2.897 50 0 HFAALO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000022814914 568499842 /nfs/dbraw/zinc/49/98/42/568499842.db2.gz SZCGDCOCTYGIND-UHFFFAOYSA-N 1 2 415.969 2.598 50 0 HFAALO O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033005167 568510695 /nfs/dbraw/zinc/51/06/95/568510695.db2.gz KFRJIBZPTNOBRG-OAQYLSRUSA-N 1 2 424.497 2.931 50 0 HFAALO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000020941547 568652521 /nfs/dbraw/zinc/65/25/21/568652521.db2.gz AAKCAWLERUOCMR-KRWDZBQOSA-N 1 2 400.523 2.890 50 0 HFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000021018285 568657987 /nfs/dbraw/zinc/65/79/87/568657987.db2.gz JIMYDHHVFAXBFA-UHFFFAOYSA-N 1 2 419.504 2.866 50 0 HFAALO O=C(C[NH+]1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1)Nc1ccccc1 ZINC000095947336 568664700 /nfs/dbraw/zinc/66/47/00/568664700.db2.gz GUSBOMUWOIKEKE-UHFFFAOYSA-N 1 2 413.485 2.552 50 0 HFAALO COc1ccc(N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)nn1 ZINC000096118474 568698141 /nfs/dbraw/zinc/69/81/41/568698141.db2.gz LOFAPYUSSKSUHY-AEVNEEFTSA-N 1 2 421.545 2.559 50 0 HFAALO O=C(NC[C@H]1CCCO1)C1CCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)CC1 ZINC000096124030 568700578 /nfs/dbraw/zinc/70/05/78/568700578.db2.gz OSCDUKPMONHRAI-LJQANCHMSA-N 1 2 405.502 2.932 50 0 HFAALO C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1CC[NH+](C)CC1 ZINC000230510252 568717356 /nfs/dbraw/zinc/71/73/56/568717356.db2.gz JOAZZZHFMDEEBU-JTQLQIEISA-N 1 2 406.118 2.753 50 0 HFAALO COCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccc(OC)cc2)CC1 ZINC000096316874 568725887 /nfs/dbraw/zinc/72/58/87/568725887.db2.gz RHLQCWDWVCZZCJ-UHFFFAOYSA-N 1 2 410.518 2.557 50 0 HFAALO COc1ccc([C@@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 ZINC000239235385 568728387 /nfs/dbraw/zinc/72/83/87/568728387.db2.gz VWIWPYCZKOWENP-WIYYLYMNSA-N 1 2 418.501 2.767 50 0 HFAALO CC(C)c1[nH+]c2ccccc2n1CCNC(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000096345155 568737504 /nfs/dbraw/zinc/73/75/04/568737504.db2.gz JTFSCQDNCVDWKL-UHFFFAOYSA-N 1 2 407.518 2.802 50 0 HFAALO C[C@H]1CC(=O)N[NH+]=C1c1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000096562136 568760227 /nfs/dbraw/zinc/76/02/27/568760227.db2.gz WDJSNSFHDDBPHB-INIZCTEOSA-N 1 2 408.477 2.577 50 0 HFAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000096997415 568766101 /nfs/dbraw/zinc/76/61/01/568766101.db2.gz LQSFFRMMXBPMQT-UHFFFAOYSA-N 1 2 418.545 2.949 50 0 HFAALO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000052517138 568769000 /nfs/dbraw/zinc/76/90/00/568769000.db2.gz PETRTDAUWCHPTA-HNNXBMFYSA-N 1 2 414.531 2.674 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)N1CC[NH+](CC)CC1)S2 ZINC000022578127 568770039 /nfs/dbraw/zinc/77/00/39/568770039.db2.gz UMRVLEMXRKIHRV-QGZVFWFLSA-N 1 2 401.536 2.794 50 0 HFAALO O=C(C[NH+]1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1)Nc1cccc(F)c1 ZINC000225821794 568782652 /nfs/dbraw/zinc/78/26/52/568782652.db2.gz ZIDUSVBJCWLBKD-UHFFFAOYSA-N 1 2 410.449 2.697 50 0 HFAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 ZINC000056945156 568821258 /nfs/dbraw/zinc/82/12/58/568821258.db2.gz WVTXORPVJNRSHE-OAQYLSRUSA-N 1 2 424.545 2.708 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000012540806 568848544 /nfs/dbraw/zinc/84/85/44/568848544.db2.gz OOWBQLHGCFGOFH-SFHVURJKSA-N 1 2 408.845 2.575 50 0 HFAALO COc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000012561538 568858678 /nfs/dbraw/zinc/85/86/78/568858678.db2.gz BRNUTQJSMIXUKD-IERDGZPVSA-N 1 2 414.502 2.904 50 0 HFAALO CCOc1ccc(C(=O)N[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C(C)C)cc1 ZINC000012576983 568862622 /nfs/dbraw/zinc/86/26/22/568862622.db2.gz NZXQUNFHYZXXPS-NRFANRHFSA-N 1 2 408.502 2.846 50 0 HFAALO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783363 568875048 /nfs/dbraw/zinc/87/50/48/568875048.db2.gz YMGZQQWQEAWHAU-DENIHFKCSA-N 1 2 400.482 2.620 50 0 HFAALO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC[C@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783363 568875049 /nfs/dbraw/zinc/87/50/49/568875049.db2.gz YMGZQQWQEAWHAU-DENIHFKCSA-N 1 2 400.482 2.620 50 0 HFAALO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@H]1COc2ccccc2O1 ZINC000012752410 568941666 /nfs/dbraw/zinc/94/16/66/568941666.db2.gz VFCSJENWYOSAFH-HNNXBMFYSA-N 1 2 413.865 2.631 50 0 HFAALO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@H]1COc2ccccc2O1 ZINC000012752410 568941668 /nfs/dbraw/zinc/94/16/68/568941668.db2.gz VFCSJENWYOSAFH-HNNXBMFYSA-N 1 2 413.865 2.631 50 0 HFAALO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000012765500 568948025 /nfs/dbraw/zinc/94/80/25/568948025.db2.gz JLWXJJSQAGGYOK-UHFFFAOYSA-N 1 2 414.897 2.523 50 0 HFAALO CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1=O ZINC000670471891 569003679 /nfs/dbraw/zinc/00/36/79/569003679.db2.gz YUXOILDFEWKTKF-GOSISDBHSA-N 1 2 422.510 2.812 50 0 HFAALO Cc1cccc(C[NH+]2CCN(C(=O)CSc3nnnn3C3CCCCC3)CC2)c1 ZINC000012820390 569004614 /nfs/dbraw/zinc/00/46/14/569004614.db2.gz MNSCICUFHPKGHB-UHFFFAOYSA-N 1 2 414.579 2.923 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc1C ZINC000104468029 569008837 /nfs/dbraw/zinc/00/88/37/569008837.db2.gz RAYCSIYHBFXWGA-JOCHJYFZSA-N 1 2 400.567 2.994 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc1C ZINC000104468029 569008838 /nfs/dbraw/zinc/00/88/38/569008838.db2.gz RAYCSIYHBFXWGA-JOCHJYFZSA-N 1 2 400.567 2.994 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104528572 569008991 /nfs/dbraw/zinc/00/89/91/569008991.db2.gz DTGIUVJLLXMWJU-LJQANCHMSA-N 1 2 418.509 2.920 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3ccc(F)c(OC)c3)C[C@H]2CCO)cc(OC)c1 ZINC000104528572 569008992 /nfs/dbraw/zinc/00/89/92/569008992.db2.gz DTGIUVJLLXMWJU-LJQANCHMSA-N 1 2 418.509 2.920 50 0 HFAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016040668 569028189 /nfs/dbraw/zinc/02/81/89/569028189.db2.gz VEURHZXYIILNBY-IVAOSVALSA-N 1 2 402.406 2.520 50 0 biogenic HFAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016040668 569028190 /nfs/dbraw/zinc/02/81/90/569028190.db2.gz VEURHZXYIILNBY-IVAOSVALSA-N 1 2 402.406 2.520 50 0 biogenic HFAALO Cc1[nH]n(-c2ccccc2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(C(C)C)C1=O ZINC000006203426 569029888 /nfs/dbraw/zinc/02/98/88/569029888.db2.gz BAWKQVZTMMOJSB-UHFFFAOYSA-O 1 2 403.462 2.628 50 0 HFAALO C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000006199006 569031451 /nfs/dbraw/zinc/03/14/51/569031451.db2.gz FCPJNMAAVOFQGS-KRWDZBQOSA-N 1 2 424.526 2.843 50 0 HFAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575611107 569032392 /nfs/dbraw/zinc/03/23/92/569032392.db2.gz AHYBDDMXXJGELC-IBGZPJMESA-N 1 2 402.516 2.876 50 0 HFAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000035336584 569033140 /nfs/dbraw/zinc/03/31/40/569033140.db2.gz IIGWCBHLUMZOKX-YADARESESA-N 1 2 410.514 2.947 50 0 HFAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000035336584 569033141 /nfs/dbraw/zinc/03/31/41/569033141.db2.gz IIGWCBHLUMZOKX-YADARESESA-N 1 2 410.514 2.947 50 0 HFAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000035336581 569033166 /nfs/dbraw/zinc/03/31/66/569033166.db2.gz IIGWCBHLUMZOKX-CYFREDJKSA-N 1 2 410.514 2.947 50 0 HFAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC2 ZINC000035336581 569033167 /nfs/dbraw/zinc/03/31/67/569033167.db2.gz IIGWCBHLUMZOKX-CYFREDJKSA-N 1 2 410.514 2.947 50 0 HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccccc4F)CC3)NC2=O)cc1C ZINC000035430723 569036759 /nfs/dbraw/zinc/03/67/59/569036759.db2.gz IKBNDUKFBSSFEH-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO CCc1noc(CCNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC000426395448 569072690 /nfs/dbraw/zinc/07/26/90/569072690.db2.gz WSHMVHLMVOOAFB-UHFFFAOYSA-N 1 2 415.519 2.829 50 0 HFAALO CCc1noc(CCNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC000426395448 569072691 /nfs/dbraw/zinc/07/26/91/569072691.db2.gz WSHMVHLMVOOAFB-UHFFFAOYSA-N 1 2 415.519 2.829 50 0 HFAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029097 569078297 /nfs/dbraw/zinc/07/82/97/569078297.db2.gz QKCNVCCZJQJUMS-WMLDXEAASA-N 1 2 413.971 2.687 50 0 HFAALO O=C(NCc1ccccn1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036253439 569119832 /nfs/dbraw/zinc/11/98/32/569119832.db2.gz OHZWSBLDBHAMDC-QFIPXVFZSA-N 1 2 424.520 2.854 50 0 HFAALO CCCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036250776 569119847 /nfs/dbraw/zinc/11/98/47/569119847.db2.gz MDEIOMNULBEOGT-OAQYLSRUSA-N 1 2 401.551 2.880 50 0 HFAALO CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036255878 569120301 /nfs/dbraw/zinc/12/03/01/569120301.db2.gz PKFXJOMGSPCEFP-GOSISDBHSA-N 1 2 422.367 2.902 50 0 HFAALO COc1ccc(CNC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1 ZINC000065034854 569158194 /nfs/dbraw/zinc/15/81/94/569158194.db2.gz JXAGCWNYKZZJSH-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO COc1ccc(CNC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1 ZINC000065034854 569158196 /nfs/dbraw/zinc/15/81/96/569158196.db2.gz JXAGCWNYKZZJSH-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO C[NH+]1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(Cl)cc2)C3)CC1 ZINC000065201420 569195707 /nfs/dbraw/zinc/19/57/07/569195707.db2.gz AJWJJSWUOOHIAD-UHFFFAOYSA-N 1 2 403.935 2.988 50 0 HFAALO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCC5)n4)ccn3n2)cc1C ZINC000065235817 569202458 /nfs/dbraw/zinc/20/24/58/569202458.db2.gz NPHHTBIUFIBACL-UHFFFAOYSA-N 1 2 404.474 2.807 50 0 HFAALO O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000065237135 569202688 /nfs/dbraw/zinc/20/26/88/569202688.db2.gz ALGKLALSEDYAJH-UHFFFAOYSA-N 1 2 423.517 2.728 50 0 HFAALO O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000065237135 569202689 /nfs/dbraw/zinc/20/26/89/569202689.db2.gz ALGKLALSEDYAJH-UHFFFAOYSA-N 1 2 423.517 2.728 50 0 HFAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCCc4ccccc4)CC3)n2)n1 ZINC000065240365 569203767 /nfs/dbraw/zinc/20/37/67/569203767.db2.gz JPTOQXOAXKSONI-UHFFFAOYSA-N 1 2 404.518 2.854 50 0 HFAALO C[C@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000017029294 569272113 /nfs/dbraw/zinc/27/21/13/569272113.db2.gz NUSXXRAVVHGQJG-ZUOKHONESA-N 1 2 402.454 2.568 50 0 biogenic HFAALO C[C@H](c1ccccc1)n1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000017029294 569272114 /nfs/dbraw/zinc/27/21/14/569272114.db2.gz NUSXXRAVVHGQJG-ZUOKHONESA-N 1 2 402.454 2.568 50 0 biogenic HFAALO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000252511845 569291909 /nfs/dbraw/zinc/29/19/09/569291909.db2.gz LDHUIYJYAMRZAX-ROUUACIJSA-N 1 2 418.519 2.678 50 0 HFAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1F ZINC000091302288 569382938 /nfs/dbraw/zinc/38/29/38/569382938.db2.gz ABXQFTXEJVVVIB-XBGMYJNYSA-N 1 2 411.452 2.928 50 0 HFAALO Cc1[nH]nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2 ZINC000078947552 569421917 /nfs/dbraw/zinc/42/19/17/569421917.db2.gz UPZIRAQEOVYRTQ-FQEVSTJZSA-N 1 2 420.469 2.953 50 0 HFAALO Cc1[nH]nc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1-c1ccc2c(c1)OCO2 ZINC000078947552 569421919 /nfs/dbraw/zinc/42/19/19/569421919.db2.gz UPZIRAQEOVYRTQ-FQEVSTJZSA-N 1 2 420.469 2.953 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1nc2ccccc2s1 ZINC000078958492 569422130 /nfs/dbraw/zinc/42/21/30/569422130.db2.gz FUROPKADMDYBMX-UHFFFAOYSA-N 1 2 408.527 2.988 50 0 HFAALO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N[C@H]1CCSC1=O ZINC000078970800 569422677 /nfs/dbraw/zinc/42/26/77/569422677.db2.gz ISPATLVIHCAAHS-AWEZNQCLSA-N 1 2 418.346 2.792 50 0 HFAALO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N[C@H]1CCSC1=O ZINC000078970800 569422679 /nfs/dbraw/zinc/42/26/79/569422679.db2.gz ISPATLVIHCAAHS-AWEZNQCLSA-N 1 2 418.346 2.792 50 0 HFAALO CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000079023581 569424580 /nfs/dbraw/zinc/42/45/80/569424580.db2.gz YBJDJIPTQYUMBT-LSDHHAIUSA-N 1 2 404.492 2.532 50 0 HFAALO CC[C@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1OC)CC2 ZINC000067291271 571067228 /nfs/dbraw/zinc/06/72/28/571067228.db2.gz JXLMTVYWGAIIBN-AWEZNQCLSA-N 1 2 416.547 2.756 50 0 HFAALO CC[C@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1OC)CC2 ZINC000067291271 571067230 /nfs/dbraw/zinc/06/72/30/571067230.db2.gz JXLMTVYWGAIIBN-AWEZNQCLSA-N 1 2 416.547 2.756 50 0 HFAALO COc1cc(OC)cc([C@H](NS(=O)(=O)c2cccc(F)c2)c2[nH+]ccn2C)c1 ZINC000008725199 571107954 /nfs/dbraw/zinc/10/79/54/571107954.db2.gz UUMIQLFSDWEQBJ-SFHVURJKSA-N 1 2 405.451 2.644 50 0 HFAALO COc1ccccc1[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000040071239 571152052 /nfs/dbraw/zinc/15/20/52/571152052.db2.gz QSFLKTOPPXEXIH-YWZLYKJASA-N 1 2 408.458 2.657 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCN1CCCCCC1=O)c1cccc(F)c1 ZINC000040071878 571152566 /nfs/dbraw/zinc/15/25/66/571152566.db2.gz QNKLHMRHPREGHK-IBGZPJMESA-N 1 2 401.486 2.741 50 0 HFAALO Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)cc1F ZINC000040113920 571171818 /nfs/dbraw/zinc/17/18/18/571171818.db2.gz NYMLDAXREGYYFF-UHFFFAOYSA-N 1 2 421.476 2.883 50 0 HFAALO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040120355 571176238 /nfs/dbraw/zinc/17/62/38/571176238.db2.gz KPOHMBJEJGLWNX-QFIPXVFZSA-N 1 2 409.505 2.833 50 0 HFAALO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040120355 571176241 /nfs/dbraw/zinc/17/62/41/571176241.db2.gz KPOHMBJEJGLWNX-QFIPXVFZSA-N 1 2 409.505 2.833 50 0 HFAALO Cc1cc(NC(=O)CSCC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)no1 ZINC000040122061 571177941 /nfs/dbraw/zinc/17/79/41/571177941.db2.gz OHOKWLAZSPMGQD-UHFFFAOYSA-N 1 2 417.535 2.602 50 0 HFAALO Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040132333 571184649 /nfs/dbraw/zinc/18/46/49/571184649.db2.gz HNOIVQGZFXSBAK-UHFFFAOYSA-N 1 2 423.492 2.719 50 0 HFAALO O=C(Nc1cc(F)ccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccoc1 ZINC000040153804 571201144 /nfs/dbraw/zinc/20/11/44/571201144.db2.gz MNCVQUHFBDCDRB-UHFFFAOYSA-N 1 2 424.432 2.833 50 0 HFAALO COc1cccc(CN2C(SCc3ccccc3)=[NH+][C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009486150 571262417 /nfs/dbraw/zinc/26/24/17/571262417.db2.gz AQSSONOTGHCQLM-RTBURBONSA-N 1 2 402.541 2.966 50 0 HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4cc(C)ccc4C)CC3)NC2=O)cc1 ZINC000009526757 571265874 /nfs/dbraw/zinc/26/58/74/571265874.db2.gz VVDMGRRIURYYIV-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 HFAALO CCCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000006776658 132315680 /nfs/dbraw/zinc/31/56/80/132315680.db2.gz LMLKYGLTFQFFHH-UHFFFAOYSA-N 1 2 406.527 2.685 50 0 HFAALO C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000008747334 132333064 /nfs/dbraw/zinc/33/30/64/132333064.db2.gz FMGWMGUMHNFSST-UHFFFAOYSA-N 1 2 419.529 2.839 50 0 HFAALO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cnn(Cc2ccccc2)c1 ZINC000008747334 132333067 /nfs/dbraw/zinc/33/30/67/132333067.db2.gz FMGWMGUMHNFSST-UHFFFAOYSA-N 1 2 419.529 2.839 50 0 HFAALO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000012517527 132361621 /nfs/dbraw/zinc/36/16/21/132361621.db2.gz WXIDKNIRFJUWLY-UHFFFAOYSA-N 1 2 412.509 2.662 50 0 HFAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000012783903 132367167 /nfs/dbraw/zinc/36/71/67/132367167.db2.gz GUSVQMPROVKJHZ-UHFFFAOYSA-N 1 2 402.303 2.704 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000030309711 132496613 /nfs/dbraw/zinc/49/66/13/132496613.db2.gz CQVOBTXUCPIQEI-UHFFFAOYSA-N 1 2 423.513 2.818 50 0 HFAALO CC(C)c1ccc(OCC(=O)N2CC[NH+](CCNC(=O)c3ccsc3)CC2)cc1 ZINC000042383007 519838007 /nfs/dbraw/zinc/83/80/07/519838007.db2.gz SKFOYGCIXWRPCV-UHFFFAOYSA-N 1 2 415.559 2.825 50 0 HFAALO COCc1nn2c(ncc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(F)cc1 ZINC000040397166 523245492 /nfs/dbraw/zinc/24/54/92/523245492.db2.gz NYUVWWYZYJOFDU-UHFFFAOYSA-N 1 2 418.432 2.963 50 0 HFAALO COCc1nn2c(ncc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(F)cc1 ZINC000040397166 523245501 /nfs/dbraw/zinc/24/55/01/523245501.db2.gz NYUVWWYZYJOFDU-UHFFFAOYSA-N 1 2 418.432 2.963 50 0 HFAALO COc1ccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)C[NH+]4CCOCC4)c32)cc1 ZINC000036619454 523304797 /nfs/dbraw/zinc/30/47/97/523304797.db2.gz MSMOSYSWKPTIHB-HNNXBMFYSA-N 1 2 410.474 2.657 50 0 HFAALO CN(C)C(=O)CN1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000020600964 523987670 /nfs/dbraw/zinc/98/76/70/523987670.db2.gz SUHPXNMOCAEFQM-UHFFFAOYSA-N 1 2 403.530 2.950 50 0 HFAALO CN(C)C(=O)C[NH+]1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000020600964 523987671 /nfs/dbraw/zinc/98/76/71/523987671.db2.gz SUHPXNMOCAEFQM-UHFFFAOYSA-N 1 2 403.530 2.950 50 0 HFAALO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccncc1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308103 524099418 /nfs/dbraw/zinc/09/94/18/524099418.db2.gz XNJVTDJZYGSEAS-NRFANRHFSA-N 1 2 419.481 2.764 50 0 HFAALO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000032300060 524161025 /nfs/dbraw/zinc/16/10/25/524161025.db2.gz ZVKRCZOZXWHPBL-INIZCTEOSA-N 1 2 413.493 2.830 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1[nH+]ccn1C ZINC000032802535 524740160 /nfs/dbraw/zinc/74/01/60/524740160.db2.gz XPFXKOYNGSVIQM-OAQYLSRUSA-N 1 2 422.485 2.831 50 0 HFAALO C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547668 525336113 /nfs/dbraw/zinc/33/61/13/525336113.db2.gz ZRVNUTYNWGRHMZ-OAHLLOKOSA-N 1 2 410.499 2.685 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2CCO)c1 ZINC000036385837 525944829 /nfs/dbraw/zinc/94/48/29/525944829.db2.gz UVRSFFLPACHPEJ-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@H]2CCO)c1 ZINC000036385837 525944833 /nfs/dbraw/zinc/94/48/33/525944833.db2.gz UVRSFFLPACHPEJ-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)NCCc1ccc(Cl)cc1 ZINC000032652137 526774007 /nfs/dbraw/zinc/77/40/07/526774007.db2.gz BOFKJVXJQSJNAR-UHFFFAOYSA-N 1 2 415.921 2.545 50 0 HFAALO O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCC[NH+]1CCOCC1 ZINC000020555401 527337544 /nfs/dbraw/zinc/33/75/44/527337544.db2.gz QKKXCKKPLXFTTG-UHFFFAOYSA-N 1 2 404.923 2.707 50 0 HFAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccco4)co3)CC2)cc1 ZINC000034677942 557365605 /nfs/dbraw/zinc/36/56/05/557365605.db2.gz URAQTKSPGBFJKC-UHFFFAOYSA-N 1 2 410.474 2.524 50 0 HFAALO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)no1 ZINC000022766682 557814751 /nfs/dbraw/zinc/81/47/51/557814751.db2.gz BEAVALKMUUTLSE-GOSISDBHSA-N 1 2 410.499 2.899 50 0 HFAALO Cc1cc(NC(=O)C(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)no1 ZINC000022766682 557814752 /nfs/dbraw/zinc/81/47/52/557814752.db2.gz BEAVALKMUUTLSE-GOSISDBHSA-N 1 2 410.499 2.899 50 0 HFAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3F)s2)nn1C ZINC000022768199 557818360 /nfs/dbraw/zinc/81/83/60/557818360.db2.gz DUTYHJFNRLCSGZ-UHFFFAOYSA-N 1 2 417.510 2.846 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1)S2 ZINC000022784221 557820085 /nfs/dbraw/zinc/82/00/85/557820085.db2.gz ULTONSFAHRKFSZ-CQSZACIVSA-N 1 2 422.352 2.904 50 0 HFAALO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1OC ZINC000022788761 557824331 /nfs/dbraw/zinc/82/43/31/557824331.db2.gz MEWAXJUQYBDAEM-LJQANCHMSA-N 1 2 411.546 2.869 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1OC ZINC000022788761 557824333 /nfs/dbraw/zinc/82/43/33/557824333.db2.gz MEWAXJUQYBDAEM-LJQANCHMSA-N 1 2 411.546 2.869 50 0 HFAALO Cn1c2ccc(Br)cc2c2nnc(SCC[NH+]3CCOCC3)nc21 ZINC000019798654 558284788 /nfs/dbraw/zinc/28/47/88/558284788.db2.gz AQOSBQYTQABLTH-UHFFFAOYSA-N 1 2 408.325 2.703 50 0 HFAALO C[N@H+](Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 ZINC000011868159 558290006 /nfs/dbraw/zinc/29/00/06/558290006.db2.gz BPKVJHNPYXLIPF-FQEVSTJZSA-N 1 2 423.517 2.821 50 0 HFAALO C[N@@H+](Cc1ccon1)Cc1ccc(OC[C@H]2CCCN(C(=O)Cn3cccn3)C2)cc1 ZINC000011868159 558290008 /nfs/dbraw/zinc/29/00/08/558290008.db2.gz BPKVJHNPYXLIPF-FQEVSTJZSA-N 1 2 423.517 2.821 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c1 ZINC000019851160 558295605 /nfs/dbraw/zinc/29/56/05/558295605.db2.gz DRURTNRUFJTHLX-UHFFFAOYSA-N 1 2 402.491 2.744 50 0 biogenic HFAALO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(OC)c(O)c(OC)c3)CC2)c1 ZINC000019851160 558295606 /nfs/dbraw/zinc/29/56/06/558295606.db2.gz DRURTNRUFJTHLX-UHFFFAOYSA-N 1 2 402.491 2.744 50 0 biogenic HFAALO CC(C)CS(=O)(=O)c1ncc(CN2CC[NH+](C(C)C)CC2)n1Cc1ccccc1 ZINC000019853333 558295781 /nfs/dbraw/zinc/29/57/81/558295781.db2.gz CPFHZIDSVBKEKB-UHFFFAOYSA-N 1 2 418.607 2.887 50 0 HFAALO O=C(Nc1ccccc1C(=O)N1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000019908644 558305919 /nfs/dbraw/zinc/30/59/19/558305919.db2.gz QKHKLOKNVSULRE-UHFFFAOYSA-N 1 2 422.312 2.996 50 0 HFAALO Cn1c(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)nnc1-c1ccc(N)cc1 ZINC000019913518 558306854 /nfs/dbraw/zinc/30/68/54/558306854.db2.gz HKJLMHXRLOSYIM-UHFFFAOYSA-N 1 2 422.558 2.501 50 0 HFAALO COc1ccc2oc(C(=O)c3ccccc3)c(NC(=O)CN3CC[NH+](C)CC3)c2c1 ZINC000020081683 558330774 /nfs/dbraw/zinc/33/07/74/558330774.db2.gz HBINQTBNNVDNMI-UHFFFAOYSA-N 1 2 407.470 2.858 50 0 HFAALO C[C@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020394218 558359393 /nfs/dbraw/zinc/35/93/93/558359393.db2.gz VNDCHLSSSRJFMR-NSHDSACASA-N 1 2 404.923 2.881 50 0 HFAALO C[C@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020394218 558359395 /nfs/dbraw/zinc/35/93/95/558359395.db2.gz VNDCHLSSSRJFMR-NSHDSACASA-N 1 2 404.923 2.881 50 0 HFAALO COc1ccc2c(ccn2CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000020716030 558401341 /nfs/dbraw/zinc/40/13/41/558401341.db2.gz GBUPUWTWVKRAMQ-UHFFFAOYSA-N 1 2 407.470 2.723 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000012433534 558407651 /nfs/dbraw/zinc/40/76/51/558407651.db2.gz UQTIVDCLNHITRW-INIZCTEOSA-N 1 2 414.531 2.762 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000012433534 558407653 /nfs/dbraw/zinc/40/76/53/558407653.db2.gz UQTIVDCLNHITRW-INIZCTEOSA-N 1 2 414.531 2.762 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)CC1 ZINC000020916440 558422658 /nfs/dbraw/zinc/42/26/58/558422658.db2.gz HTZNREHTAVBMFI-MRXNPFEDSA-N 1 2 409.914 2.807 50 0 HFAALO CCOc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)cc1 ZINC000021476356 558439173 /nfs/dbraw/zinc/43/91/73/558439173.db2.gz AHVSHPOFGVYQSI-UHFFFAOYSA-N 1 2 409.530 2.858 50 0 HFAALO COc1ccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021548807 558441237 /nfs/dbraw/zinc/44/12/37/558441237.db2.gz DJKVZFBGQSVYGG-GOTSBHOMSA-N 1 2 410.514 2.652 50 0 HFAALO CC(C)CNC(=O)CN1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000022089416 558463203 /nfs/dbraw/zinc/46/32/03/558463203.db2.gz VISTUUWQTZILFR-UHFFFAOYSA-N 1 2 408.546 2.829 50 0 HFAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000012976723 558491844 /nfs/dbraw/zinc/49/18/44/558491844.db2.gz IWZMWUJBJVAHIL-OAHLLOKOSA-N 1 2 417.893 2.509 50 0 HFAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000012976723 558491848 /nfs/dbraw/zinc/49/18/48/558491848.db2.gz IWZMWUJBJVAHIL-OAHLLOKOSA-N 1 2 417.893 2.509 50 0 HFAALO COc1cccc(C[N@H+](C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1OC ZINC000013040379 558506761 /nfs/dbraw/zinc/50/67/61/558506761.db2.gz NEXHTMGESUTBQL-UHFFFAOYSA-N 1 2 413.518 2.816 50 0 HFAALO COc1cccc(C[N@@H+](C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1OC ZINC000013040379 558506763 /nfs/dbraw/zinc/50/67/63/558506763.db2.gz NEXHTMGESUTBQL-UHFFFAOYSA-N 1 2 413.518 2.816 50 0 HFAALO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1 ZINC000022782721 558510233 /nfs/dbraw/zinc/51/02/33/558510233.db2.gz TYEJJAWMHMLDBS-KRWDZBQOSA-N 1 2 404.530 2.561 50 0 HFAALO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022784201 558510547 /nfs/dbraw/zinc/51/05/47/558510547.db2.gz SEWJGYCORFPIFX-OKZBNKHCSA-N 1 2 404.530 2.560 50 0 HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000022787040 558511307 /nfs/dbraw/zinc/51/13/07/558511307.db2.gz WRPWKOFOEHEHDQ-GOSISDBHSA-N 1 2 400.567 2.643 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3OC)CC2)c1 ZINC000022790201 558511922 /nfs/dbraw/zinc/51/19/22/558511922.db2.gz PGBDEKIAZQFYDN-QGZVFWFLSA-N 1 2 413.518 2.857 50 0 HFAALO O=C(C[NH+]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1)N1CCCCCC1 ZINC000022799663 558512649 /nfs/dbraw/zinc/51/26/49/558512649.db2.gz UXOPVHYWQKJWJA-UHFFFAOYSA-N 1 2 417.941 2.910 50 0 HFAALO Cc1occc1C(=O)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000022852460 558517187 /nfs/dbraw/zinc/51/71/87/558517187.db2.gz AJJZGFDEARQKFQ-IBGZPJMESA-N 1 2 411.502 2.739 50 0 HFAALO C[C@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1=O ZINC000022918691 558522275 /nfs/dbraw/zinc/52/22/75/558522275.db2.gz DZLILFWPPDKBOH-JOCHJYFZSA-N 1 2 412.921 2.882 50 0 HFAALO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022926320 558523189 /nfs/dbraw/zinc/52/31/89/558523189.db2.gz DHTRJRNWNKRXIV-IBGZPJMESA-N 1 2 403.530 2.820 50 0 HFAALO C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)C1 ZINC000022932794 558524870 /nfs/dbraw/zinc/52/48/70/558524870.db2.gz LMOAUXNFNPXDEA-HZPDHXFCSA-N 1 2 424.948 2.540 50 0 HFAALO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1cccc(Br)c1 ZINC000023389396 558556439 /nfs/dbraw/zinc/55/64/39/558556439.db2.gz ANLLQHGALJMFKP-CQSZACIVSA-N 1 2 418.291 2.557 50 0 HFAALO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)COc1cccc(Br)c1 ZINC000023389396 558556443 /nfs/dbraw/zinc/55/64/43/558556443.db2.gz ANLLQHGALJMFKP-CQSZACIVSA-N 1 2 418.291 2.557 50 0 HFAALO Cc1cc(N2CCN(C(=O)COc3ccc4c(c3)OCO4)CC2)[nH+]c2ccccc12 ZINC000013655952 558559126 /nfs/dbraw/zinc/55/91/26/558559126.db2.gz ZPZXEWDYLJILQA-UHFFFAOYSA-N 1 2 405.454 3.000 50 0 HFAALO NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000023617192 558563836 /nfs/dbraw/zinc/56/38/36/558563836.db2.gz BBUJTWPWAMLARF-QGZVFWFLSA-N 1 2 415.419 2.997 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)cc1F ZINC000023737834 558572319 /nfs/dbraw/zinc/57/23/19/558572319.db2.gz LWRHJLNITPXJSO-FQEVSTJZSA-N 1 2 417.481 2.526 50 0 HFAALO O=C(CCCn1c(=O)oc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024013852 558584740 /nfs/dbraw/zinc/58/47/40/558584740.db2.gz BGIRPSVMZQQMDK-UHFFFAOYSA-N 1 2 421.497 2.654 50 0 HFAALO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000025702100 558648265 /nfs/dbraw/zinc/64/82/65/558648265.db2.gz ZTEFZHDUSASTMA-UHFFFAOYSA-N 1 2 408.477 2.737 50 0 HFAALO Cc1nn(C)cc1C[N@H+]1CC(=O)N(Cc2cccnc2)C[C@@H](OCc2ccccc2)C1 ZINC000014533839 558657159 /nfs/dbraw/zinc/65/71/59/558657159.db2.gz RCPZUCBQIPSFFJ-QHCPKHFHSA-N 1 2 419.529 2.553 50 0 HFAALO Cc1nn(C)cc1C[N@@H+]1CC(=O)N(Cc2cccnc2)C[C@@H](OCc2ccccc2)C1 ZINC000014533839 558657161 /nfs/dbraw/zinc/65/71/61/558657161.db2.gz RCPZUCBQIPSFFJ-QHCPKHFHSA-N 1 2 419.529 2.553 50 0 HFAALO COc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2-c2ccc(C)cc2)CC1 ZINC000011027480 558691579 /nfs/dbraw/zinc/69/15/79/558691579.db2.gz JRJKNNGMYDHMPF-UHFFFAOYSA-N 1 2 405.502 2.950 50 0 HFAALO Cc1cc(N2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000015032896 558703770 /nfs/dbraw/zinc/70/37/70/558703770.db2.gz SAJBIOPHJHBLTO-UHFFFAOYSA-N 1 2 411.554 2.981 50 0 HFAALO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000028833067 558705573 /nfs/dbraw/zinc/70/55/73/558705573.db2.gz NWDHFJNNPSVHAE-UHFFFAOYSA-N 1 2 411.439 2.906 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000015066063 558709150 /nfs/dbraw/zinc/70/91/50/558709150.db2.gz TXEXGZFQIHVDJK-OAQYLSRUSA-N 1 2 411.571 2.920 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000015066063 558709152 /nfs/dbraw/zinc/70/91/52/558709152.db2.gz TXEXGZFQIHVDJK-OAQYLSRUSA-N 1 2 411.571 2.920 50 0 HFAALO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000029334331 558713904 /nfs/dbraw/zinc/71/39/04/558713904.db2.gz KRQJIBBINDDGGU-UHFFFAOYSA-N 1 2 411.527 2.929 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)c1c2c(sc1NC(=O)c1ccccc1)CCCC2 ZINC000020109632 558715138 /nfs/dbraw/zinc/71/51/38/558715138.db2.gz IKGFXTWOIGVZAI-UHFFFAOYSA-N 1 2 413.543 2.941 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000029594513 558717580 /nfs/dbraw/zinc/71/75/80/558717580.db2.gz UBXYHWYNDUEBAY-QGZVFWFLSA-N 1 2 409.433 2.945 50 0 HFAALO O=C(c1cc2ccccc2oc1=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528706 558812301 /nfs/dbraw/zinc/81/23/01/558812301.db2.gz FRSYIZWTGFYDMT-UHFFFAOYSA-N 1 2 419.485 2.536 50 0 HFAALO O=C(c1cc2ccccc2oc1=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528706 558812303 /nfs/dbraw/zinc/81/23/03/558812303.db2.gz FRSYIZWTGFYDMT-UHFFFAOYSA-N 1 2 419.485 2.536 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1C ZINC000038530902 558812457 /nfs/dbraw/zinc/81/24/57/558812457.db2.gz OLNFLBJLDFLDNJ-UHFFFAOYSA-N 1 2 415.563 2.595 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1C ZINC000038530902 558812458 /nfs/dbraw/zinc/81/24/58/558812458.db2.gz OLNFLBJLDFLDNJ-UHFFFAOYSA-N 1 2 415.563 2.595 50 0 HFAALO COCc1ccc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)o1 ZINC000039516272 558822012 /nfs/dbraw/zinc/82/20/12/558822012.db2.gz WGPRBJGDMCRWHN-GOSISDBHSA-N 1 2 404.507 2.512 50 0 HFAALO COCc1ccc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)o1 ZINC000039516272 558822014 /nfs/dbraw/zinc/82/20/14/558822014.db2.gz WGPRBJGDMCRWHN-GOSISDBHSA-N 1 2 404.507 2.512 50 0 HFAALO COCc1ccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)o1 ZINC000039516272 558822015 /nfs/dbraw/zinc/82/20/15/558822015.db2.gz WGPRBJGDMCRWHN-GOSISDBHSA-N 1 2 404.507 2.512 50 0 HFAALO COCc1ccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)o1 ZINC000039516272 558822017 /nfs/dbraw/zinc/82/20/17/558822017.db2.gz WGPRBJGDMCRWHN-GOSISDBHSA-N 1 2 404.507 2.512 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039541275 558822272 /nfs/dbraw/zinc/82/22/72/558822272.db2.gz NWJKEFRNNQJQBY-JOCHJYFZSA-N 1 2 412.530 2.975 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039541275 558822275 /nfs/dbraw/zinc/82/22/75/558822275.db2.gz NWJKEFRNNQJQBY-JOCHJYFZSA-N 1 2 412.530 2.975 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039541275 558822278 /nfs/dbraw/zinc/82/22/78/558822278.db2.gz NWJKEFRNNQJQBY-JOCHJYFZSA-N 1 2 412.530 2.975 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@H]2CCO)cc(OC)c1 ZINC000039541275 558822281 /nfs/dbraw/zinc/82/22/81/558822281.db2.gz NWJKEFRNNQJQBY-JOCHJYFZSA-N 1 2 412.530 2.975 50 0 HFAALO O=C(CSc1nc2ncccc2n2cccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000033012068 558831584 /nfs/dbraw/zinc/83/15/84/558831584.db2.gz PFWZCTKLBDQMLG-UHFFFAOYSA-N 1 2 404.499 2.718 50 0 HFAALO CCC[NH+]1CCN(Cc2cnc(S(=O)(=O)CC(C)C)n2Cc2ccccc2)CC1 ZINC000019224312 558852294 /nfs/dbraw/zinc/85/22/94/558852294.db2.gz QVZFIORCXFRZQR-UHFFFAOYSA-N 1 2 418.607 2.889 50 0 HFAALO C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(C[N@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034050 558857951 /nfs/dbraw/zinc/85/79/51/558857951.db2.gz MUNVOJGGQFOYCK-RHSMWYFYSA-N 1 2 407.898 2.978 50 0 HFAALO C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(C[N@@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034050 558857953 /nfs/dbraw/zinc/85/79/53/558857953.db2.gz MUNVOJGGQFOYCK-RHSMWYFYSA-N 1 2 407.898 2.978 50 0 HFAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000019313574 558866921 /nfs/dbraw/zinc/86/69/21/558866921.db2.gz OQBMOLNUXUAYSH-GOSISDBHSA-N 1 2 414.303 2.903 50 0 HFAALO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)o1 ZINC000058034005 558896556 /nfs/dbraw/zinc/89/65/56/558896556.db2.gz AWQOPPHMMNKGFL-SFHVURJKSA-N 1 2 418.515 2.840 50 0 HFAALO Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)ccc1Br ZINC000097104189 558993774 /nfs/dbraw/zinc/99/37/74/558993774.db2.gz JSXLMIJSXMISEW-CYBMUJFWSA-N 1 2 405.383 2.569 50 0 HFAALO CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000097165397 558998508 /nfs/dbraw/zinc/99/85/08/558998508.db2.gz NFUZUQLTIKASAB-GOSISDBHSA-N 1 2 417.550 2.782 50 0 HFAALO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023247110 559065384 /nfs/dbraw/zinc/06/53/84/559065384.db2.gz DHANYZRAPDJXRW-UXBLZVDNSA-N 1 2 417.509 2.920 50 0 HFAALO Cc1csc(=O)n1CC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000023248747 559068273 /nfs/dbraw/zinc/06/82/73/559068273.db2.gz VDAAMMZTNBPGJX-UHFFFAOYSA-N 1 2 402.383 2.860 50 0 HFAALO CSCc1nc(=O)c2c(C)c(C(=O)NCCc3cn4ccccc4[nH+]3)sc2[nH]1 ZINC000011534746 559088334 /nfs/dbraw/zinc/08/83/34/559088334.db2.gz NDJVEZUHKNWRQE-UHFFFAOYSA-N 1 2 413.528 2.776 50 0 HFAALO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccccc1 ZINC000004903017 559199969 /nfs/dbraw/zinc/19/99/69/559199969.db2.gz FKVCENUAZQSBSL-UHFFFAOYSA-N 1 2 401.532 2.791 50 0 HFAALO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccccc1 ZINC000004903017 559199971 /nfs/dbraw/zinc/19/99/71/559199971.db2.gz FKVCENUAZQSBSL-UHFFFAOYSA-N 1 2 401.532 2.791 50 0 HFAALO COc1ccccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000248014254 559259435 /nfs/dbraw/zinc/25/94/35/559259435.db2.gz SHTLINSDPSNVNV-BWPNAZKDSA-N 1 2 410.518 2.870 50 0 HFAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000061719173 559293462 /nfs/dbraw/zinc/29/34/62/559293462.db2.gz VFRTXNSNGWHRLS-ZDUSSCGKSA-N 1 2 405.861 2.733 50 0 HFAALO CCCCn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005737294 560861616 /nfs/dbraw/zinc/86/16/16/560861616.db2.gz WFFGHLCTWYXUOS-UHFFFAOYSA-N 1 2 423.561 2.689 50 0 HFAALO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000046884180 560878566 /nfs/dbraw/zinc/87/85/66/560878566.db2.gz QNEBQHKJOLXPEY-NEPJUHHUSA-N 1 2 405.720 2.707 50 0 HFAALO Cc1cnn(-c2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2F)c1 ZINC000107155452 560895732 /nfs/dbraw/zinc/89/57/32/560895732.db2.gz UACRPTGTAHNFAT-NRFANRHFSA-N 1 2 414.506 2.997 50 0 HFAALO Cc1cnn(-c2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2F)c1 ZINC000107155452 560895734 /nfs/dbraw/zinc/89/57/34/560895734.db2.gz UACRPTGTAHNFAT-NRFANRHFSA-N 1 2 414.506 2.997 50 0 HFAALO Cc1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000048367105 568442052 /nfs/dbraw/zinc/44/20/52/568442052.db2.gz FLODUIMSVCZSOA-UHFFFAOYSA-N 1 2 415.559 2.893 50 0 HFAALO CCOC(=O)Cc1csc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)n1 ZINC000049377241 568447278 /nfs/dbraw/zinc/44/72/78/568447278.db2.gz JJNNFWCYWIJVLE-UHFFFAOYSA-N 1 2 421.523 2.573 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)COc1coc(C[NH+]2CCSCC2)cc1=O ZINC000049547073 568451501 /nfs/dbraw/zinc/45/15/01/568451501.db2.gz RPFGVCZGQFIOIK-UHFFFAOYSA-N 1 2 424.906 2.868 50 0 HFAALO Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000218498365 568481115 /nfs/dbraw/zinc/48/11/15/568481115.db2.gz RSCFZXWHPJDZQA-TZIWHRDSSA-N 1 2 420.513 2.897 50 0 HFAALO O=C(NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000020189691 568593306 /nfs/dbraw/zinc/59/33/06/568593306.db2.gz HAOBAARHTNHQJH-QPJJXVBHSA-N 1 2 409.511 2.761 50 0 HFAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccncc2)N1CCC[NH+]1CCOCC1 ZINC000020310599 568598462 /nfs/dbraw/zinc/59/84/62/568598462.db2.gz LOLASKNPHHVRSQ-FQEVSTJZSA-N 1 2 423.444 2.595 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000095401220 568604960 /nfs/dbraw/zinc/60/49/60/568604960.db2.gz LZTFYFJMPKUABR-GOSISDBHSA-N 1 2 420.985 2.996 50 0 HFAALO O=C(c1cnn2cc(Br)cnc12)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000095455443 568616950 /nfs/dbraw/zinc/61/69/50/568616950.db2.gz VNOWLZPPTMOBII-UHFFFAOYSA-N 1 2 418.270 2.589 50 0 HFAALO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(Br)cncc2Br)C1 ZINC000225422300 568636643 /nfs/dbraw/zinc/63/66/43/568636643.db2.gz FETQTVRYAPSYHX-NSHDSACASA-N 1 2 405.134 2.907 50 0 HFAALO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(Br)cncc2Br)C1 ZINC000225422300 568636645 /nfs/dbraw/zinc/63/66/45/568636645.db2.gz FETQTVRYAPSYHX-NSHDSACASA-N 1 2 405.134 2.907 50 0 HFAALO CC(=O)N1CCC(N(CCC[NH+]2CCOCC2)C(=S)Nc2cccc(C)c2)CC1 ZINC000020730936 568640963 /nfs/dbraw/zinc/64/09/63/568640963.db2.gz QZWYQUWDGDSVKY-UHFFFAOYSA-N 1 2 418.607 2.727 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)cc1C ZINC000020757056 568641419 /nfs/dbraw/zinc/64/14/19/568641419.db2.gz KDIABRVWBLQVNH-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)cc1C ZINC000020757056 568641420 /nfs/dbraw/zinc/64/14/20/568641420.db2.gz KDIABRVWBLQVNH-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1cc(C)cc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020758950 568641802 /nfs/dbraw/zinc/64/18/02/568641802.db2.gz UWBZOTIAJMWTEI-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1cc(C)cc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020758950 568641806 /nfs/dbraw/zinc/64/18/06/568641806.db2.gz UWBZOTIAJMWTEI-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO COc1ccc(-c2nc(C[NH+]3CCN(Cn4ncn(C)c4=S)CC3)cs2)cc1 ZINC000095947330 568664715 /nfs/dbraw/zinc/66/47/15/568664715.db2.gz BYXHWCCHWPCYHT-UHFFFAOYSA-N 1 2 416.576 2.858 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC000095956561 568669638 /nfs/dbraw/zinc/66/96/38/568669638.db2.gz CQMKIAHCYXRTQB-QGZVFWFLSA-N 1 2 403.504 2.837 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H]2CCC[N@H+]2C)ccc1C ZINC000095956561 568669640 /nfs/dbraw/zinc/66/96/40/568669640.db2.gz CQMKIAHCYXRTQB-QGZVFWFLSA-N 1 2 403.504 2.837 50 0 HFAALO O=C(C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCOC1=O ZINC000095989746 568677601 /nfs/dbraw/zinc/67/76/01/568677601.db2.gz ZRGBBJQHKGZRMM-UHFFFAOYSA-N 1 2 415.440 2.651 50 0 HFAALO O=C(CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCOC1=O ZINC000095989746 568677603 /nfs/dbraw/zinc/67/76/03/568677603.db2.gz ZRGBBJQHKGZRMM-UHFFFAOYSA-N 1 2 415.440 2.651 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1CC ZINC000021473085 568703326 /nfs/dbraw/zinc/70/33/26/568703326.db2.gz HQXXKCOKIKHIKM-NVXWUHKLSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1CC ZINC000021473085 568703328 /nfs/dbraw/zinc/70/33/28/568703328.db2.gz HQXXKCOKIKHIKM-NVXWUHKLSA-N 1 2 415.490 2.503 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000021526212 568709438 /nfs/dbraw/zinc/70/94/38/568709438.db2.gz CGMBYGWBGFAMLW-NRFANRHFSA-N 1 2 420.538 2.675 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000021526212 568709439 /nfs/dbraw/zinc/70/94/39/568709439.db2.gz CGMBYGWBGFAMLW-NRFANRHFSA-N 1 2 420.538 2.675 50 0 HFAALO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CCSC(C)(C)C)CC2)c1 ZINC000239761423 568729770 /nfs/dbraw/zinc/72/97/70/568729770.db2.gz CJWMVPCXCOUEHU-UHFFFAOYSA-N 1 2 402.582 2.542 50 0 HFAALO CCN(CC)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000025286069 568762628 /nfs/dbraw/zinc/76/26/28/568762628.db2.gz QQWYQYYRWHBOIX-UHFFFAOYSA-N 1 2 415.559 2.675 50 0 HFAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)N2CC[NH+](C)CC2)cc1 ZINC000022577933 568770120 /nfs/dbraw/zinc/77/01/20/568770120.db2.gz VSPAEWGOOGCFFQ-QGZVFWFLSA-N 1 2 401.536 2.794 50 0 HFAALO Cc1c(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1C ZINC000056896033 568820918 /nfs/dbraw/zinc/82/09/18/568820918.db2.gz JJVRSCJNNDNGTC-UHFFFAOYSA-N 1 2 404.514 2.608 50 0 HFAALO CCCn1cc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ccccc21 ZINC000057196231 568824966 /nfs/dbraw/zinc/82/49/66/568824966.db2.gz JSHMTKACXNVHJM-UHFFFAOYSA-N 1 2 403.490 2.690 50 0 HFAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N(CCc1ccccc1)Cc1cccs1 ZINC000057286156 568825881 /nfs/dbraw/zinc/82/58/81/568825881.db2.gz ZWNRFNKQJTZXPG-UHFFFAOYSA-N 1 2 421.570 2.932 50 0 HFAALO CCn1c(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000057389493 568831175 /nfs/dbraw/zinc/83/11/75/568831175.db2.gz XKBMSGJNVPHDRS-UHFFFAOYSA-N 1 2 403.486 2.646 50 0 HFAALO CCOc1ccccc1[C@@H]1NC(=O)N=C(C[N@H+](C)Cc2ccccc2)C1C(=O)OC ZINC000057415673 568834012 /nfs/dbraw/zinc/83/40/12/568834012.db2.gz XKDAEWDHIPQNKV-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CCOc1ccccc1[C@@H]1NC(=O)N=C(C[N@@H+](C)Cc2ccccc2)C1C(=O)OC ZINC000057415673 568834013 /nfs/dbraw/zinc/83/40/13/568834013.db2.gz XKDAEWDHIPQNKV-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO COC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478296 568839713 /nfs/dbraw/zinc/83/97/13/568839713.db2.gz ZKMUNWHZXXPVLK-NRFANRHFSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057478296 568839714 /nfs/dbraw/zinc/83/97/14/568839714.db2.gz ZKMUNWHZXXPVLK-NRFANRHFSA-N 1 2 407.470 2.535 50 0 HFAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003227352 568847421 /nfs/dbraw/zinc/84/74/21/568847421.db2.gz CHJQIGRJBJMNLX-UHFFFAOYSA-N 1 2 413.543 2.858 50 0 HFAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003227352 568847423 /nfs/dbraw/zinc/84/74/23/568847423.db2.gz CHJQIGRJBJMNLX-UHFFFAOYSA-N 1 2 413.543 2.858 50 0 HFAALO Cc1cc(=O)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)nn1-c1ccccc1F ZINC000012547587 568850933 /nfs/dbraw/zinc/85/09/33/568850933.db2.gz KOGQSDLVELJKCR-HXUWFJFHSA-N 1 2 417.444 2.933 50 0 HFAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1F ZINC000012547942 568851055 /nfs/dbraw/zinc/85/10/55/568851055.db2.gz RYWQPNAQLGJBRZ-LJQANCHMSA-N 1 2 417.462 2.788 50 0 HFAALO COc1cccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012560319 568858087 /nfs/dbraw/zinc/85/80/87/568858087.db2.gz LTEIEVDRUDBCOF-IBGZPJMESA-N 1 2 412.877 2.718 50 0 HFAALO COC(=O)c1cn([C@@H](CCSC)c2[nH+]c3ccccc3n2C)cc2c(=O)[nH]nc1-2 ZINC000263588290 568883696 /nfs/dbraw/zinc/88/36/96/568883696.db2.gz RGTJKYKWEGVUTA-INIZCTEOSA-N 1 2 411.487 2.692 50 0 HFAALO CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000058157305 568893563 /nfs/dbraw/zinc/89/35/63/568893563.db2.gz DBEJGHBPAZUHCC-NSHDSACASA-N 1 2 402.720 2.889 50 0 HFAALO CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000058157305 568893565 /nfs/dbraw/zinc/89/35/65/568893565.db2.gz DBEJGHBPAZUHCC-NSHDSACASA-N 1 2 402.720 2.889 50 0 HFAALO O=C(c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000263619351 568912308 /nfs/dbraw/zinc/91/23/08/568912308.db2.gz YICDYORZKONHID-GOSISDBHSA-N 1 2 424.892 2.560 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)NCc1cccnc1OC1CCCC1 ZINC000031121687 568914721 /nfs/dbraw/zinc/91/47/21/568914721.db2.gz RANZIFXJQUBEGP-UHFFFAOYSA-N 1 2 411.506 2.634 50 0 HFAALO CCCC[N@H+](CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000004057700 568936750 /nfs/dbraw/zinc/93/67/50/568936750.db2.gz NFJXWYGQIXEEEV-UHFFFAOYSA-N 1 2 409.596 2.861 50 0 HFAALO CCCC[N@@H+](CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1 ZINC000004057700 568936753 /nfs/dbraw/zinc/93/67/53/568936753.db2.gz NFJXWYGQIXEEEV-UHFFFAOYSA-N 1 2 409.596 2.861 50 0 HFAALO COc1ccccc1[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000012776100 568954572 /nfs/dbraw/zinc/95/45/72/568954572.db2.gz KSZKXCAORZQPBL-LJQANCHMSA-N 1 2 402.516 2.666 50 0 HFAALO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310450 568988843 /nfs/dbraw/zinc/98/88/43/568988843.db2.gz IPZALEFJGMKMAV-OAHLLOKOSA-N 1 2 401.488 2.784 50 0 HFAALO NC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310450 568988845 /nfs/dbraw/zinc/98/88/45/568988845.db2.gz IPZALEFJGMKMAV-OAHLLOKOSA-N 1 2 401.488 2.784 50 0 HFAALO O=C(NCCn1ncc2c1nc[nH+]c2NCc1ccco1)c1c[nH]c2ccccc12 ZINC000038484230 568997008 /nfs/dbraw/zinc/99/70/08/568997008.db2.gz SDTDSCFOOQUOIQ-UHFFFAOYSA-N 1 2 401.430 2.943 50 0 HFAALO Cn1cc(CC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c2ccccc21 ZINC000038488374 568997500 /nfs/dbraw/zinc/99/75/00/568997500.db2.gz VIOHMMSLKMBGAQ-UHFFFAOYSA-N 1 2 418.545 2.850 50 0 HFAALO Cn1cc(CC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c2ccccc21 ZINC000038488374 568997502 /nfs/dbraw/zinc/99/75/02/568997502.db2.gz VIOHMMSLKMBGAQ-UHFFFAOYSA-N 1 2 418.545 2.850 50 0 HFAALO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1NS(C)(=O)=O ZINC000013683100 569004898 /nfs/dbraw/zinc/00/48/98/569004898.db2.gz PAXJWWACVOENFS-RMKNXTFCSA-N 1 2 413.543 2.838 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1C ZINC000104532362 569009028 /nfs/dbraw/zinc/00/90/28/569009028.db2.gz SPYPDQOXFBCYJE-HXUWFJFHSA-N 1 2 400.519 2.787 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1C ZINC000104532362 569009029 /nfs/dbraw/zinc/00/90/29/569009029.db2.gz SPYPDQOXFBCYJE-HXUWFJFHSA-N 1 2 400.519 2.787 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1 ZINC000105903231 569009182 /nfs/dbraw/zinc/00/91/82/569009182.db2.gz WOTGEHCSQZAPNI-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@H]2CCO)cc1 ZINC000105903231 569009183 /nfs/dbraw/zinc/00/91/83/569009183.db2.gz WOTGEHCSQZAPNI-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000012853936 569010851 /nfs/dbraw/zinc/01/08/51/569010851.db2.gz FYRQHODAXPCNME-LJQANCHMSA-N 1 2 415.559 2.569 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000012853936 569010852 /nfs/dbraw/zinc/01/08/52/569010852.db2.gz FYRQHODAXPCNME-LJQANCHMSA-N 1 2 415.559 2.569 50 0 HFAALO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000012910658 569021551 /nfs/dbraw/zinc/02/15/51/569021551.db2.gz NTWWWJCBDAXQHR-KRWDZBQOSA-N 1 2 407.561 2.960 50 0 HFAALO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C ZINC000012910658 569021552 /nfs/dbraw/zinc/02/15/52/569021552.db2.gz NTWWWJCBDAXQHR-KRWDZBQOSA-N 1 2 407.561 2.960 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000575608635 569032224 /nfs/dbraw/zinc/03/22/24/569032224.db2.gz GWYXEQHQNSQYNZ-UHFFFAOYSA-N 1 2 414.513 2.891 50 0 HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccccc4C)CC3)NC2=O)cc1C ZINC000035430717 569036768 /nfs/dbraw/zinc/03/67/68/569036768.db2.gz JLJKYOHQDPJOIN-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 biogenic HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000006326303 569043318 /nfs/dbraw/zinc/04/33/18/569043318.db2.gz RMLVMTGJFMJCMX-UHFFFAOYSA-N 1 2 416.259 2.505 50 0 HFAALO CCCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000035728646 569053416 /nfs/dbraw/zinc/05/34/16/569053416.db2.gz CGKJHZKVNWGGMB-UHFFFAOYSA-N 1 2 417.531 2.664 50 0 HFAALO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000241586405 569054800 /nfs/dbraw/zinc/05/48/00/569054800.db2.gz OVSWOSZUUNCXRY-LRDDRELGSA-N 1 2 400.306 2.644 50 0 HFAALO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000241586405 569054801 /nfs/dbraw/zinc/05/48/01/569054801.db2.gz OVSWOSZUUNCXRY-LRDDRELGSA-N 1 2 400.306 2.644 50 0 HFAALO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000241693882 569054819 /nfs/dbraw/zinc/05/48/19/569054819.db2.gz QIOIKKSSXGHNAV-HRAATJIYSA-N 1 2 412.515 2.774 50 0 HFAALO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000241693882 569054820 /nfs/dbraw/zinc/05/48/20/569054820.db2.gz QIOIKKSSXGHNAV-HRAATJIYSA-N 1 2 412.515 2.774 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000245329217 569056051 /nfs/dbraw/zinc/05/60/51/569056051.db2.gz YFJVTDOSLWIELC-MUGJNUQGSA-N 1 2 408.429 2.669 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000245329217 569056052 /nfs/dbraw/zinc/05/60/52/569056052.db2.gz YFJVTDOSLWIELC-MUGJNUQGSA-N 1 2 408.429 2.669 50 0 HFAALO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000054146303 569059904 /nfs/dbraw/zinc/05/99/04/569059904.db2.gz DKMSYJQKGINLEE-HXUWFJFHSA-N 1 2 401.532 2.688 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4cc(=O)[nH]cn4)csc3C2)nc1 ZINC000426383123 569072615 /nfs/dbraw/zinc/07/26/15/569072615.db2.gz KHTYRNPESVYHQQ-UHFFFAOYSA-N 1 2 409.515 2.689 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4cc(=O)[nH]cn4)csc3C2)nc1 ZINC000426383123 569072616 /nfs/dbraw/zinc/07/26/16/569072616.db2.gz KHTYRNPESVYHQQ-UHFFFAOYSA-N 1 2 409.515 2.689 50 0 HFAALO Cc1ccc2[nH+]c(CN3CCN(S(=O)(=O)c4ccccc4Cl)CC3)cn2c1 ZINC000006657770 569083315 /nfs/dbraw/zinc/08/33/15/569083315.db2.gz NFSUVPVTUYRLFI-UHFFFAOYSA-N 1 2 404.923 2.803 50 0 HFAALO CC(C)(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccccn2)C2CCCC2)CC1 ZINC000036251382 569119864 /nfs/dbraw/zinc/11/98/64/569119864.db2.gz IKFQBRWRZXNARN-QFIPXVFZSA-N 1 2 414.594 2.880 50 0 HFAALO CC(C)CN(C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000169679502 569126797 /nfs/dbraw/zinc/12/67/97/569126797.db2.gz KQWVHWSHKVGQDS-RTWAWAEBSA-N 1 2 424.557 2.801 50 0 HFAALO CC(C)CN(C[C@@H]1C[N@@H+](C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000169679502 569126799 /nfs/dbraw/zinc/12/67/99/569126799.db2.gz KQWVHWSHKVGQDS-RTWAWAEBSA-N 1 2 424.557 2.801 50 0 HFAALO COc1cccc(CNC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 ZINC000065034939 569158525 /nfs/dbraw/zinc/15/85/25/569158525.db2.gz MZSVDHDGWIFVOI-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO COc1cccc(CNC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 ZINC000065034939 569158526 /nfs/dbraw/zinc/15/85/26/569158526.db2.gz MZSVDHDGWIFVOI-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO CCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)N3CCOCC3)o2)[nH+]1 ZINC000006869114 569159512 /nfs/dbraw/zinc/15/95/12/569159512.db2.gz PJDMLSPEYWVHMO-UHFFFAOYSA-N 1 2 402.520 2.997 50 0 HFAALO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000036392060 569167402 /nfs/dbraw/zinc/16/74/02/569167402.db2.gz AEGFFPQBZPVYHQ-WOJBJXKFSA-N 1 2 400.567 2.649 50 0 HFAALO Cc1nn2c(nc(C[N@H+](C)CC(=O)Nc3ccccc3C(F)(F)F)cc2=O)s1 ZINC000036395263 569168679 /nfs/dbraw/zinc/16/86/79/569168679.db2.gz KGZHNMYQDGSPEG-UHFFFAOYSA-N 1 2 411.409 2.549 50 0 HFAALO Cc1nn2c(nc(C[N@@H+](C)CC(=O)Nc3ccccc3C(F)(F)F)cc2=O)s1 ZINC000036395263 569168680 /nfs/dbraw/zinc/16/86/80/569168680.db2.gz KGZHNMYQDGSPEG-UHFFFAOYSA-N 1 2 411.409 2.549 50 0 HFAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCCc4cccs4)CC3)n2)n1 ZINC000065240366 569203803 /nfs/dbraw/zinc/20/38/03/569203803.db2.gz XAPMSYGCLWGCOT-UHFFFAOYSA-N 1 2 410.547 2.916 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000065265796 569212925 /nfs/dbraw/zinc/21/29/25/569212925.db2.gz GPJROBPIKIXXHY-QFIPXVFZSA-N 1 2 412.921 2.994 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)Nc1cccc(OC)c1)C2 ZINC000065265821 569213055 /nfs/dbraw/zinc/21/30/55/569213055.db2.gz NFOOBQHVNYPBAZ-HSZRJFAPSA-N 1 2 423.517 2.741 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)Nc1ccccc1Br ZINC000065294934 569218664 /nfs/dbraw/zinc/21/86/64/569218664.db2.gz QZKKJDNZVXCAOE-UHFFFAOYSA-N 1 2 401.268 2.828 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCC1)NCc1ccc(F)cc1Cl ZINC000065295067 569218722 /nfs/dbraw/zinc/21/87/22/569218722.db2.gz QHOKVNDIJPAZSG-UHFFFAOYSA-N 1 2 402.861 2.926 50 0 HFAALO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000007443288 569239224 /nfs/dbraw/zinc/23/92/24/569239224.db2.gz QIOIKKSSXGHNAV-IERDGZPVSA-N 1 2 412.515 2.774 50 0 HFAALO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000007443288 569239225 /nfs/dbraw/zinc/23/92/25/569239225.db2.gz QIOIKKSSXGHNAV-IERDGZPVSA-N 1 2 412.515 2.774 50 0 HFAALO CCC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](CC)C(=O)OCC ZINC000170612010 569245659 /nfs/dbraw/zinc/24/56/59/569245659.db2.gz YJTXCSHVLTURTR-FQEVSTJZSA-N 1 2 417.550 2.593 50 0 HFAALO CCC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H](CC)C(=O)OCC ZINC000170612010 569245660 /nfs/dbraw/zinc/24/56/60/569245660.db2.gz YJTXCSHVLTURTR-FQEVSTJZSA-N 1 2 417.550 2.593 50 0 HFAALO CC(C)(C)NC(=O)NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000013294834 569254758 /nfs/dbraw/zinc/25/47/58/569254758.db2.gz UKFWXRNUXLMVFQ-UHFFFAOYSA-N 1 2 402.455 2.671 50 0 HFAALO C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000089904946 569268209 /nfs/dbraw/zinc/26/82/09/569268209.db2.gz 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CC[N@H+](CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000002952347 569322540 /nfs/dbraw/zinc/32/25/40/569322540.db2.gz CKUQWLJXIVOOIB-UHFFFAOYSA-N 1 2 422.529 2.893 50 0 HFAALO CC[N@@H+](CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000002952347 569322542 /nfs/dbraw/zinc/32/25/42/569322542.db2.gz CKUQWLJXIVOOIB-UHFFFAOYSA-N 1 2 422.529 2.893 50 0 HFAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC ZINC000007929947 569327398 /nfs/dbraw/zinc/32/73/98/569327398.db2.gz USOHGLITYGOESS-UHFFFAOYSA-N 1 2 400.431 2.706 50 0 HFAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC ZINC000007929947 569327400 /nfs/dbraw/zinc/32/74/00/569327400.db2.gz USOHGLITYGOESS-UHFFFAOYSA-N 1 2 400.431 2.706 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000253401454 569388913 /nfs/dbraw/zinc/38/89/13/569388913.db2.gz FPNLXMIVSFGFBY-ICSRJNTNSA-N 1 2 417.469 2.531 50 0 HFAALO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000078724195 569420020 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571184635 /nfs/dbraw/zinc/18/46/35/571184635.db2.gz NGVMMPIOOAAJPE-UHFFFAOYSA-N 1 2 411.531 2.641 50 0 HFAALO NC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000009308238 571246824 /nfs/dbraw/zinc/24/68/24/571246824.db2.gz IMFSVZFGWHASQD-UHFFFAOYSA-N 1 2 418.482 2.704 50 0 HFAALO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000009526066 571265800 /nfs/dbraw/zinc/26/58/00/571265800.db2.gz CPOALPURTONSOF-UHFFFAOYSA-N 1 2 412.515 2.669 50 0 HFAALO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000009959766 571292137 /nfs/dbraw/zinc/29/21/37/571292137.db2.gz STZVOJUGSYRIPA-HXUWFJFHSA-N 1 2 423.513 2.636 50 0 HFAALO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000009959766 571292139 /nfs/dbraw/zinc/29/21/39/571292139.db2.gz STZVOJUGSYRIPA-HXUWFJFHSA-N 1 2 423.513 2.636 50 0 HFAALO CC(C)C[NH+]1CCN(c2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(N)n2)CC1 ZINC000071771729 571300025 /nfs/dbraw/zinc/30/00/25/571300025.db2.gz ZPKPSFOXVQPWGM-UHFFFAOYSA-N 1 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ZINC000012385553 132359387 /nfs/dbraw/zinc/35/93/87/132359387.db2.gz RVYOXMVCTPAPQV-UHFFFAOYSA-N 1 2 405.458 2.598 50 0 HFAALO Cc1cccc(N2CC[NH+](CC(=O)N(C)CC(=O)Nc3cc(C)ccc3C)CC2)c1 ZINC000012553311 132363230 /nfs/dbraw/zinc/36/32/30/132363230.db2.gz SKMBIVSXRMFHIP-UHFFFAOYSA-N 1 2 408.546 2.831 50 0 HFAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019309285 132466865 /nfs/dbraw/zinc/46/68/65/132466865.db2.gz COWDEYDTQDITNY-SFHVURJKSA-N 1 2 402.466 2.599 50 0 HFAALO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2nnnn2-c2ccccc2)cc1 ZINC000032759420 520808864 /nfs/dbraw/zinc/80/88/64/520808864.db2.gz ZVDLRDCTXGFQAO-INIZCTEOSA-N 1 2 414.535 2.544 50 0 HFAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)C1 ZINC000020547726 523994651 /nfs/dbraw/zinc/99/46/51/523994651.db2.gz WDLWSMDYIGKEIO-UHFFFAOYSA-N 1 2 413.572 2.712 50 0 HFAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)nc(N)c23)C1 ZINC000020547726 523994655 /nfs/dbraw/zinc/99/46/55/523994655.db2.gz WDLWSMDYIGKEIO-UHFFFAOYSA-N 1 2 413.572 2.712 50 0 HFAALO COc1ccc([C@H](CNC(=O)/C=C/c2ccc(NC(C)=O)cc2)[NH+]2CCOCC2)cc1 ZINC000024759880 525355203 /nfs/dbraw/zinc/35/52/03/525355203.db2.gz OSSYYJDLYMCDKR-LHRVCSDGSA-N 1 2 423.513 2.857 50 0 HFAALO Cc1cc2ncnn2c(N2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000032853443 525685307 /nfs/dbraw/zinc/68/53/07/525685307.db2.gz ROKPMGJRBYRPCI-UHFFFAOYSA-N 1 2 418.423 2.817 50 0 HFAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cc(F)c(F)c(F)c1 ZINC000040287204 526415019 /nfs/dbraw/zinc/41/50/19/526415019.db2.gz JUNSDSLTSVMGCR-UHFFFAOYSA-N 1 2 406.408 2.957 50 0 HFAALO O=C(Nc1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cs1)c1ccccc1F ZINC000040355995 527505367 /nfs/dbraw/zinc/50/53/67/527505367.db2.gz WAWDNBZILHDPHO-UHFFFAOYSA-N 1 2 411.462 2.892 50 0 HFAALO CCC(=O)N(Cc1cc2ccc(OC)cc2[nH+]c1N1CCOCC1)C[C@@H]1CCCO1 ZINC000012455253 535295118 /nfs/dbraw/zinc/29/51/18/535295118.db2.gz JITCJTWPMCIMGT-FQEVSTJZSA-N 1 2 413.518 2.998 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(Br)c1)N1CC[NH+](C)CC1)S2 ZINC000022626825 557107896 /nfs/dbraw/zinc/10/78/96/557107896.db2.gz MENTXZNXOLNXLB-CQSZACIVSA-N 1 2 422.352 2.904 50 0 HFAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(O)CC2)cc1OC ZINC000022627616 557113750 /nfs/dbraw/zinc/11/37/50/557113750.db2.gz FIGHONGBYOLYCB-QGZVFWFLSA-N 1 2 418.519 2.758 50 0 HFAALO CCOC(=O)c1ccc(N2C(=O)C=C([NH2+]Nc3nc4ccccc4s3)C2O)cc1 ZINC000002280445 557334088 /nfs/dbraw/zinc/33/40/88/557334088.db2.gz VEMISNUMGCHTLT-OAHLLOKOSA-N 1 2 410.455 2.722 50 0 HFAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000002404647 557344983 /nfs/dbraw/zinc/34/49/83/557344983.db2.gz ALRCHGUGGUCZCX-CYBMUJFWSA-N 1 2 419.453 2.697 50 0 HFAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000002404647 557344985 /nfs/dbraw/zinc/34/49/85/557344985.db2.gz ALRCHGUGGUCZCX-CYBMUJFWSA-N 1 2 419.453 2.697 50 0 HFAALO CC[NH+]1CCN(C(=O)c2ccc(CN3CCN(c4ccc(C)c(C)c4)CC3)o2)CC1 ZINC000034668129 557361684 /nfs/dbraw/zinc/36/16/84/557361684.db2.gz ASOZURODPFJUHH-UHFFFAOYSA-N 1 2 410.562 2.996 50 0 HFAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)nn1C ZINC000022768209 557818308 /nfs/dbraw/zinc/81/83/08/557818308.db2.gz QGEWRQHCVMTLSQ-UHFFFAOYSA-N 1 2 417.510 2.846 50 0 HFAALO C[C@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812228 557829274 /nfs/dbraw/zinc/82/92/74/557829274.db2.gz HNPCLJKLZUEGEL-IBGZPJMESA-N 1 2 424.589 2.939 50 0 HFAALO C[C@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812228 557829277 /nfs/dbraw/zinc/82/92/77/557829277.db2.gz HNPCLJKLZUEGEL-IBGZPJMESA-N 1 2 424.589 2.939 50 0 HFAALO C[C@H](NC(=O)C[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812228 557829279 /nfs/dbraw/zinc/82/92/79/557829279.db2.gz HNPCLJKLZUEGEL-IBGZPJMESA-N 1 2 424.589 2.939 50 0 HFAALO C[C@H](NC(=O)C[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812228 557829282 /nfs/dbraw/zinc/82/92/82/557829282.db2.gz HNPCLJKLZUEGEL-IBGZPJMESA-N 1 2 424.589 2.939 50 0 HFAALO COCC(=O)N(Cc1cc2ccc(OC)cc2[nH+]c1N1CCCC1)C[C@H]1CCCO1 ZINC000011786698 558276268 /nfs/dbraw/zinc/27/62/68/558276268.db2.gz LCOKRRABYDCQFI-HXUWFJFHSA-N 1 2 413.518 2.998 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000019782238 558281663 /nfs/dbraw/zinc/28/16/63/558281663.db2.gz NLAGWUMJCNEOBZ-IBGZPJMESA-N 1 2 402.466 2.632 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000019782238 558281664 /nfs/dbraw/zinc/28/16/64/558281664.db2.gz NLAGWUMJCNEOBZ-IBGZPJMESA-N 1 2 402.466 2.632 50 0 HFAALO Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019799307 558285051 /nfs/dbraw/zinc/28/50/51/558285051.db2.gz VRKPHZDQXWJMCJ-XLNRJJMWSA-N 1 2 407.514 2.523 50 0 HFAALO C[C@@H]1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC[N@@H+]1C ZINC000019800109 558285204 /nfs/dbraw/zinc/28/52/04/558285204.db2.gz GMDCUALCYBGIET-QGZVFWFLSA-N 1 2 408.612 2.783 50 0 HFAALO C[C@@H]1CN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC[N@H+]1C ZINC000019800109 558285208 /nfs/dbraw/zinc/28/52/08/558285208.db2.gz GMDCUALCYBGIET-QGZVFWFLSA-N 1 2 408.612 2.783 50 0 HFAALO Cc1cccc(CN2CC[N@H+](Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)n1 ZINC000019840513 558293906 /nfs/dbraw/zinc/29/39/06/558293906.db2.gz OLCJOYWUQBVCLB-NRFANRHFSA-N 1 2 409.509 2.784 50 0 HFAALO Cc1cccc(CN2CC[N@@H+](Cc3cnn(-c4ccccc4F)c3)C[C@@H]2CCO)n1 ZINC000019840513 558293909 /nfs/dbraw/zinc/29/39/09/558293909.db2.gz OLCJOYWUQBVCLB-NRFANRHFSA-N 1 2 409.509 2.784 50 0 HFAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019879575 558300604 /nfs/dbraw/zinc/30/06/04/558300604.db2.gz MCKGCKSVZDJKCJ-FQEVSTJZSA-N 1 2 402.466 2.599 50 0 HFAALO C[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)CC1 ZINC000019908702 558305832 /nfs/dbraw/zinc/30/58/32/558305832.db2.gz NHMPGRLQCWNOKN-UHFFFAOYSA-N 1 2 407.449 2.651 50 0 HFAALO COCc1ccc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)o1 ZINC000020406357 558360175 /nfs/dbraw/zinc/36/01/75/558360175.db2.gz WGPRBJGDMCRWHN-SFHVURJKSA-N 1 2 404.507 2.512 50 0 HFAALO COCc1ccc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)o1 ZINC000020406357 558360178 /nfs/dbraw/zinc/36/01/78/558360178.db2.gz WGPRBJGDMCRWHN-SFHVURJKSA-N 1 2 404.507 2.512 50 0 HFAALO COCc1ccc(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)o1 ZINC000020406357 558360181 /nfs/dbraw/zinc/36/01/81/558360181.db2.gz WGPRBJGDMCRWHN-SFHVURJKSA-N 1 2 404.507 2.512 50 0 HFAALO COCc1ccc(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)o1 ZINC000020406357 558360182 /nfs/dbraw/zinc/36/01/82/558360182.db2.gz WGPRBJGDMCRWHN-SFHVURJKSA-N 1 2 404.507 2.512 50 0 HFAALO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000020438359 558363580 /nfs/dbraw/zinc/36/35/80/558363580.db2.gz JGUPYXWCTXLBAR-FQEVSTJZSA-N 1 2 408.454 2.962 50 0 HFAALO COc1cccc([C@H]2CCCCN2C(=O)Cn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000012304298 558373545 /nfs/dbraw/zinc/37/35/45/558373545.db2.gz KQTDHSILKAMCJJ-HXUWFJFHSA-N 1 2 412.538 2.667 50 0 HFAALO C[N@H+](CC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1)Cc1ccccn1 ZINC000020907987 558421432 /nfs/dbraw/zinc/42/14/32/558421432.db2.gz ALFNXZFBYYLKMB-QFIPXVFZSA-N 1 2 403.473 2.635 50 0 HFAALO C[N@@H+](CC(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1)Cc1ccccn1 ZINC000020907987 558421436 /nfs/dbraw/zinc/42/14/36/558421436.db2.gz ALFNXZFBYYLKMB-QFIPXVFZSA-N 1 2 403.473 2.635 50 0 HFAALO C[C@H]1Cc2cc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000012629671 558441294 /nfs/dbraw/zinc/44/12/94/558441294.db2.gz KMMDMVMPKUXBCS-YWZLYKJASA-N 1 2 424.526 2.650 50 0 HFAALO C[C@H]1Cc2cc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000012629677 558441301 /nfs/dbraw/zinc/44/13/01/558441301.db2.gz KMMDMVMPKUXBCS-MGPUTAFESA-N 1 2 424.526 2.650 50 0 HFAALO CC[N@@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C[C@H]1COc2ccccc2O1 ZINC000012798042 558470284 /nfs/dbraw/zinc/47/02/84/558470284.db2.gz LLGDKTZKJNVGJP-HNNXBMFYSA-N 1 2 409.442 2.784 50 0 HFAALO CC[N@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C[C@H]1COc2ccccc2O1 ZINC000012798042 558470286 /nfs/dbraw/zinc/47/02/86/558470286.db2.gz LLGDKTZKJNVGJP-HNNXBMFYSA-N 1 2 409.442 2.784 50 0 HFAALO C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000012943950 558487593 /nfs/dbraw/zinc/48/75/93/558487593.db2.gz GPYNDMMXSRNUIP-VQIMIIECSA-N 1 2 411.502 2.908 50 0 HFAALO CC(C)(CNC(=O)CSc1nccn1-c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000022408771 558487907 /nfs/dbraw/zinc/48/79/07/558487907.db2.gz QJSBKLSWCJBIME-UHFFFAOYSA-N 1 2 408.955 2.845 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 ZINC000022749951 558507250 /nfs/dbraw/zinc/50/72/50/558507250.db2.gz CCKFWXABVBIFOY-KRWDZBQOSA-N 1 2 408.845 2.819 50 0 HFAALO O=C(CN1CC[NH+](Cc2cccc(F)c2)CC1)Nc1ccc(Br)cn1 ZINC000022752708 558507917 /nfs/dbraw/zinc/50/79/17/558507917.db2.gz DSIOWKPSSWKGQU-UHFFFAOYSA-N 1 2 407.287 2.740 50 0 HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000022787034 558511190 /nfs/dbraw/zinc/51/11/90/558511190.db2.gz WRPWKOFOEHEHDQ-SFHVURJKSA-N 1 2 400.567 2.643 50 0 HFAALO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)C1 ZINC000022932802 558524942 /nfs/dbraw/zinc/52/49/42/558524942.db2.gz LMOAUXNFNPXDEA-HOTGVXAUSA-N 1 2 424.948 2.540 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000013370611 558530970 /nfs/dbraw/zinc/53/09/70/558530970.db2.gz HTCZDIAMROOUIB-SILNSSARSA-N 1 2 413.905 2.559 50 0 HFAALO COc1ccc(CNC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000023055002 558532377 /nfs/dbraw/zinc/53/23/77/558532377.db2.gz WNKLYZWFKFHDQE-UHFFFAOYSA-N 1 2 424.497 2.678 50 0 HFAALO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)ccc1F ZINC000023238730 558544952 /nfs/dbraw/zinc/54/49/52/558544952.db2.gz GXMYOUCZVQLDIP-UHFFFAOYSA-N 1 2 416.478 2.952 50 0 HFAALO Cc1cc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)[nH+]c2ccccc12 ZINC000013628646 558551728 /nfs/dbraw/zinc/55/17/28/558551728.db2.gz NXILDXRSXXCEPB-UHFFFAOYSA-N 1 2 413.481 2.602 50 0 HFAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(C(=O)N4CCOCC4)CC3)c2cc1C(C)C ZINC000023669375 558566718 /nfs/dbraw/zinc/56/67/18/558566718.db2.gz VYFYKAPTAFMDLD-UHFFFAOYSA-N 1 2 413.518 2.795 50 0 HFAALO Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)nn1-c1ccccc1F ZINC000023736911 558572376 /nfs/dbraw/zinc/57/23/76/558572376.db2.gz QBZCKNQMYREBDP-UHFFFAOYSA-N 1 2 412.490 2.700 50 0 HFAALO O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)NCCc1c[nH]c2ccccc12 ZINC000023846124 558577680 /nfs/dbraw/zinc/57/76/80/558577680.db2.gz JOBQDKITIWHMSL-UHFFFAOYSA-N 1 2 417.513 2.807 50 0 HFAALO O=C(CSc1ncnc2sccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023881153 558579650 /nfs/dbraw/zinc/57/96/50/558579650.db2.gz ZMLKDNLDBHIJHU-UHFFFAOYSA-N 1 2 414.556 2.932 50 0 HFAALO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000024001874 558584466 /nfs/dbraw/zinc/58/44/66/558584466.db2.gz HXEVCOMBGQONSS-UHFFFAOYSA-N 1 2 420.513 2.669 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccc(F)c1 ZINC000024015306 558584662 /nfs/dbraw/zinc/58/46/62/558584662.db2.gz WHJWOLFAZNFFOD-GOSISDBHSA-N 1 2 401.463 2.623 50 0 HFAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc(OC)c1OC ZINC000024136111 558590098 /nfs/dbraw/zinc/59/00/98/558590098.db2.gz LSVDSQVXRHMUOL-UHFFFAOYSA-N 1 2 412.486 2.605 50 0 HFAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1 ZINC000024193360 558591682 /nfs/dbraw/zinc/59/16/82/558591682.db2.gz AVFKZJSSFZTKJT-UHFFFAOYSA-N 1 2 402.498 2.807 50 0 HFAALO O=C(CSc1ccccc1C(=O)NCC[NH+]1CCOCC1)NCC1CCCCC1 ZINC000014200089 558635965 /nfs/dbraw/zinc/63/59/65/558635965.db2.gz YIFUCXFLZSGYKV-UHFFFAOYSA-N 1 2 419.591 2.537 50 0 HFAALO O=C(COc1cccc(Oc2ccccn2)c1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000025602224 558645400 /nfs/dbraw/zinc/64/54/00/558645400.db2.gz VEVJSCBPAXVTRG-UHFFFAOYSA-N 1 2 420.469 2.801 50 0 HFAALO Cc1[nH]c(CN2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)c[nH+]1 ZINC000014533121 558656930 /nfs/dbraw/zinc/65/69/30/558656930.db2.gz MICMLQMRLZJJAY-QFIPXVFZSA-N 1 2 405.502 2.543 50 0 HFAALO Cc1[nH]cc(CN2CC(=O)N(Cc3cccnc3)C[C@@H](OCc3ccccc3)C2)[nH+]1 ZINC000014533121 558656932 /nfs/dbraw/zinc/65/69/32/558656932.db2.gz MICMLQMRLZJJAY-QFIPXVFZSA-N 1 2 405.502 2.543 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c(C)n2n1 ZINC000027673958 558680003 /nfs/dbraw/zinc/68/00/03/558680003.db2.gz NZDVMOCGWIEIPO-NRFANRHFSA-N 1 2 421.545 2.604 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c(C)n2n1 ZINC000027673958 558680007 /nfs/dbraw/zinc/68/00/07/558680007.db2.gz NZDVMOCGWIEIPO-NRFANRHFSA-N 1 2 421.545 2.604 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c(C)n2n1 ZINC000027673956 558680058 /nfs/dbraw/zinc/68/00/58/558680058.db2.gz NZDVMOCGWIEIPO-OAQYLSRUSA-N 1 2 421.545 2.604 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c(C)n2n1 ZINC000027673956 558680061 /nfs/dbraw/zinc/68/00/61/558680061.db2.gz NZDVMOCGWIEIPO-OAQYLSRUSA-N 1 2 421.545 2.604 50 0 HFAALO COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C)CC4)c3C3CC3)n2)c1 ZINC000014992728 558695077 /nfs/dbraw/zinc/69/50/77/558695077.db2.gz KSOFTOCPFQKTSK-UHFFFAOYSA-N 1 2 418.501 2.603 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCC[C@H](CCCO)C2)n1CCc1ccccc1 ZINC000015073719 558714507 /nfs/dbraw/zinc/71/45/07/558714507.db2.gz KGDJZIMRQKDHPX-HXUWFJFHSA-N 1 2 419.591 2.904 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCC[C@H](CCCO)C2)n1CCc1ccccc1 ZINC000015073719 558714511 /nfs/dbraw/zinc/71/45/11/558714511.db2.gz KGDJZIMRQKDHPX-HXUWFJFHSA-N 1 2 419.591 2.904 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1Cl ZINC000029675215 558718657 /nfs/dbraw/zinc/71/86/57/558718657.db2.gz ODECAFJOQKOZLZ-QGZVFWFLSA-N 1 2 406.958 2.606 50 0 HFAALO O=S(=O)(c1cccc(Br)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000034870440 558786248 /nfs/dbraw/zinc/78/62/48/558786248.db2.gz ITMYUZJCWGYLKK-UHFFFAOYSA-N 1 2 409.349 2.998 50 0 HFAALO COc1ccc([C@H](NC(=O)c2sc3ncn(C)c(=O)c3c2C)c2[nH+]ccn2C)cc1 ZINC000016476401 558793325 /nfs/dbraw/zinc/79/33/25/558793325.db2.gz USDQXJKBLMUKCU-INIZCTEOSA-N 1 2 423.498 2.565 50 0 HFAALO O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528373 558811994 /nfs/dbraw/zinc/81/19/94/558811994.db2.gz LLXQUWKZUNBEBS-UHFFFAOYSA-N 1 2 415.925 2.848 50 0 HFAALO O=C(COc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528373 558811996 /nfs/dbraw/zinc/81/19/96/558811996.db2.gz LLXQUWKZUNBEBS-UHFFFAOYSA-N 1 2 415.925 2.848 50 0 HFAALO O=C(c1cccc(Br)c1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038530382 558812248 /nfs/dbraw/zinc/81/22/48/558812248.db2.gz WQCSOKTWAPDUDE-UHFFFAOYSA-N 1 2 416.323 2.802 50 0 HFAALO O=C(c1cccc(Br)c1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038530382 558812250 /nfs/dbraw/zinc/81/22/50/558812250.db2.gz WQCSOKTWAPDUDE-UHFFFAOYSA-N 1 2 416.323 2.802 50 0 HFAALO C[N@H+](CC(=O)NCc1cccnc1N1CCc2ccccc2C1)Cc1ccccn1 ZINC000039446847 558821354 /nfs/dbraw/zinc/82/13/54/558821354.db2.gz MSQNEBWPAWKLLA-UHFFFAOYSA-N 1 2 401.514 2.788 50 0 HFAALO C[N@@H+](CC(=O)NCc1cccnc1N1CCc2ccccc2C1)Cc1ccccn1 ZINC000039446847 558821356 /nfs/dbraw/zinc/82/13/56/558821356.db2.gz MSQNEBWPAWKLLA-UHFFFAOYSA-N 1 2 401.514 2.788 50 0 HFAALO CCn1nc(C)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1C ZINC000039485177 558821784 /nfs/dbraw/zinc/82/17/84/558821784.db2.gz DYVCJFZJCBYAHD-OAQYLSRUSA-N 1 2 400.567 2.906 50 0 HFAALO CCn1nc(C)c(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)c1C ZINC000039485177 558821785 /nfs/dbraw/zinc/82/17/85/558821785.db2.gz DYVCJFZJCBYAHD-OAQYLSRUSA-N 1 2 400.567 2.906 50 0 HFAALO C[NH+]1CCN(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)CC1 ZINC000055201816 558876036 /nfs/dbraw/zinc/87/60/36/558876036.db2.gz AGANEUWSIOEIQP-UHFFFAOYSA-N 1 2 415.419 2.901 50 0 HFAALO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000058164500 558906698 /nfs/dbraw/zinc/90/66/98/558906698.db2.gz CAAGXIUZSXCXJV-OAHLLOKOSA-N 1 2 401.894 2.896 50 0 HFAALO Cc1nc(-c2cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)no1 ZINC000033257650 558924462 /nfs/dbraw/zinc/92/44/62/558924462.db2.gz HGQGNALQQAFXSV-UHFFFAOYSA-N 1 2 406.442 2.732 50 0 HFAALO CCOc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)cc1 ZINC000065364670 558975706 /nfs/dbraw/zinc/97/57/06/558975706.db2.gz LSWZACOFEOTKQQ-UHFFFAOYSA-N 1 2 407.478 2.724 50 0 HFAALO O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067602212 558988044 /nfs/dbraw/zinc/98/80/44/558988044.db2.gz NHZNPSDEBLTDDO-UHFFFAOYSA-N 1 2 402.380 2.644 50 0 HFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)[nH+]c(C)n2)n1 ZINC000067621761 558989644 /nfs/dbraw/zinc/98/96/44/558989644.db2.gz FGPKBNNUDDYTDI-UHFFFAOYSA-N 1 2 412.444 2.828 50 0 HFAALO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000097139568 558996780 /nfs/dbraw/zinc/99/67/80/558996780.db2.gz DJRWNGKWGUGZQY-AWEZNQCLSA-N 1 2 403.335 2.740 50 0 HFAALO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000097139568 558996781 /nfs/dbraw/zinc/99/67/81/558996781.db2.gz DJRWNGKWGUGZQY-AWEZNQCLSA-N 1 2 403.335 2.740 50 0 HFAALO O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095501983 559082400 /nfs/dbraw/zinc/08/24/00/559082400.db2.gz ULYHTTVTZHVCAL-UHFFFAOYSA-N 1 2 400.429 2.614 50 0 HFAALO O=C(c1c(F)cccc1F)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095526726 559086135 /nfs/dbraw/zinc/08/61/35/559086135.db2.gz SMCQPMZLSTYGTQ-UHFFFAOYSA-N 1 2 400.429 2.614 50 0 HFAALO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4Cl)CC3)C2=O)cc1 ZINC000100129864 559130187 /nfs/dbraw/zinc/13/01/87/559130187.db2.gz JQENMSXIAJLCTB-FQEVSTJZSA-N 1 2 413.905 2.798 50 0 HFAALO Cc1ccc(CNC(=O)NCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000014422342 559165944 /nfs/dbraw/zinc/16/59/44/559165944.db2.gz GWXLZZQZGICWSE-UHFFFAOYSA-N 1 2 414.937 2.792 50 0 HFAALO COc1cc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc(OC)c1OC ZINC000023375768 559173544 /nfs/dbraw/zinc/17/35/44/559173544.db2.gz MPODYMQOQMMILH-UHFFFAOYSA-N 1 2 405.520 2.530 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000004864293 559193295 /nfs/dbraw/zinc/19/32/95/559193295.db2.gz MKXPRZUNBSKIJC-UHFFFAOYSA-N 1 2 424.954 2.921 50 0 HFAALO C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048418 560774031 /nfs/dbraw/zinc/77/40/31/560774031.db2.gz ZOKPBAVCMXUSGM-OAHLLOKOSA-N 1 2 410.499 2.804 50 0 HFAALO Cc1cc(N2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)[nH+]c2ccccc12 ZINC000018145112 560779830 /nfs/dbraw/zinc/77/98/30/560779830.db2.gz VOOKMKYPXPCECN-UHFFFAOYSA-N 1 2 413.481 2.671 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051102115 560780305 /nfs/dbraw/zinc/78/03/05/560780305.db2.gz WZGAAONTQDCTTD-OAHLLOKOSA-N 1 2 401.960 2.627 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)C(C)C)C1 ZINC000051102115 560780307 /nfs/dbraw/zinc/78/03/07/560780307.db2.gz WZGAAONTQDCTTD-OAHLLOKOSA-N 1 2 401.960 2.627 50 0 HFAALO CC(C)[C@@H]1c2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2NC1=O ZINC000101613673 560797353 /nfs/dbraw/zinc/79/73/53/560797353.db2.gz MULZQNIBBPVYNK-OAQYLSRUSA-N 1 2 413.543 2.885 50 0 HFAALO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000103970135 560845583 /nfs/dbraw/zinc/84/55/83/560845583.db2.gz CYEDHJSVJSJLBG-WOJBJXKFSA-N 1 2 409.486 2.961 50 0 HFAALO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000103970135 560845584 /nfs/dbraw/zinc/84/55/84/560845584.db2.gz CYEDHJSVJSJLBG-WOJBJXKFSA-N 1 2 409.486 2.961 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318363 560858550 /nfs/dbraw/zinc/85/85/50/560858550.db2.gz OFVOZROTUNIYCS-QFIPXVFZSA-N 1 2 420.513 2.598 50 0 HFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000048159038 568432198 /nfs/dbraw/zinc/43/21/98/568432198.db2.gz FLWCADSYXCGSNZ-QFIPXVFZSA-N 1 2 413.562 2.706 50 0 HFAALO Cc1cc(N2CCN(C(=O)Nc3cccnc3-n3cccn3)CC2)nc(C(C)C)[nH+]1 ZINC000048197869 568432298 /nfs/dbraw/zinc/43/22/98/568432298.db2.gz NLMXMQLCXBPXGW-UHFFFAOYSA-N 1 2 406.494 2.843 50 0 HFAALO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048288680 568434809 /nfs/dbraw/zinc/43/48/09/568434809.db2.gz NUUMQUOJRLPZPO-HUUCEWRRSA-N 1 2 404.942 2.910 50 0 HFAALO CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000048278148 568435742 /nfs/dbraw/zinc/43/57/42/568435742.db2.gz PDHWOELCYZBYCO-OAHLLOKOSA-N 1 2 414.531 2.674 50 0 HFAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1ccc(OC)cc1)CC3 ZINC000049003271 568446327 /nfs/dbraw/zinc/44/63/27/568446327.db2.gz RJODPSZGFSWVNE-UHFFFAOYSA-N 1 2 405.498 2.774 50 0 HFAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1ccc(OC)cc1)CC3 ZINC000049003271 568446328 /nfs/dbraw/zinc/44/63/28/568446328.db2.gz RJODPSZGFSWVNE-UHFFFAOYSA-N 1 2 405.498 2.774 50 0 HFAALO Cc1noc(/C=C/[NH+](C)C)c1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000049539871 568450981 /nfs/dbraw/zinc/45/09/81/568450981.db2.gz ZBFYPBHELYNALH-MDZDMXLPSA-N 1 2 404.536 2.643 50 0 HFAALO COC(=O)C[C@H](c1ccncc1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000604418994 568493093 /nfs/dbraw/zinc/49/30/93/568493093.db2.gz DHNRHYLHJYCCSR-HXUWFJFHSA-N 1 2 420.465 2.994 50 0 HFAALO COC(=O)C[C@H](c1ccncc1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000604418994 568493094 /nfs/dbraw/zinc/49/30/94/568493094.db2.gz DHNRHYLHJYCCSR-HXUWFJFHSA-N 1 2 420.465 2.994 50 0 HFAALO COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000020287508 568597155 /nfs/dbraw/zinc/59/71/55/568597155.db2.gz JPDCAKCGIOMDGP-IFXJQAMLSA-N 1 2 420.531 2.966 50 0 HFAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000095401232 568604965 /nfs/dbraw/zinc/60/49/65/568604965.db2.gz LDIJXQLOHJERGP-GOSISDBHSA-N 1 2 420.985 2.996 50 0 HFAALO Cc1cc(O)c2c(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000020412545 568605689 /nfs/dbraw/zinc/60/56/89/568605689.db2.gz PFVXJWHXGXHXBK-UHFFFAOYSA-N 1 2 408.454 2.854 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c(C)c1 ZINC000020611791 568637481 /nfs/dbraw/zinc/63/74/81/568637481.db2.gz AHRLHYIXURXMKX-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c(C)c1 ZINC000020611791 568637482 /nfs/dbraw/zinc/63/74/82/568637482.db2.gz AHRLHYIXURXMKX-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611935 568637634 /nfs/dbraw/zinc/63/76/34/568637634.db2.gz QIMRYSYVBQAQQB-FQEVSTJZSA-N 1 2 402.454 2.598 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611935 568637636 /nfs/dbraw/zinc/63/76/36/568637636.db2.gz QIMRYSYVBQAQQB-FQEVSTJZSA-N 1 2 402.454 2.598 50 0 biogenic HFAALO O=C(/C=C1\Sc2ccccc2NC1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020727204 568640649 /nfs/dbraw/zinc/64/06/49/568640649.db2.gz BCFYVBFXSVRMGY-NDENLUEZSA-N 1 2 423.494 2.688 50 0 HFAALO CC(=O)N1CCC(N(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(C)cc2)CC1 ZINC000020730940 568640928 /nfs/dbraw/zinc/64/09/28/568640928.db2.gz QYROBKUCXHBOCS-UHFFFAOYSA-N 1 2 418.607 2.727 50 0 HFAALO CCc1[nH+]c(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc(F)cc1 ZINC000096317027 568726249 /nfs/dbraw/zinc/72/62/49/568726249.db2.gz GEEQCPCSYQJQOT-UHFFFAOYSA-N 1 2 420.554 2.974 50 0 HFAALO NC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000021724266 568751004 /nfs/dbraw/zinc/75/10/04/568751004.db2.gz AQMRGLUGXXRHQR-UHFFFAOYSA-N 1 2 423.448 2.825 50 0 HFAALO CCS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000029459220 568825737 /nfs/dbraw/zinc/82/57/37/568825737.db2.gz SLVYXWLOVCDYTF-UHFFFAOYSA-N 1 2 405.495 2.545 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000057347418 568827293 /nfs/dbraw/zinc/82/72/93/568827293.db2.gz XGTKLBHZXPQXDG-UHFFFAOYSA-N 1 2 422.529 2.825 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414718 568833688 /nfs/dbraw/zinc/83/36/88/568833688.db2.gz SNPYKOKNOOHUOX-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414718 568833689 /nfs/dbraw/zinc/83/36/89/568833689.db2.gz SNPYKOKNOOHUOX-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414718 568833690 /nfs/dbraw/zinc/83/36/90/568833690.db2.gz SNPYKOKNOOHUOX-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414718 568833691 /nfs/dbraw/zinc/83/36/91/568833691.db2.gz SNPYKOKNOOHUOX-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057435036 568836621 /nfs/dbraw/zinc/83/66/21/568836621.db2.gz NHRLDUZIISVRTP-UHFFFAOYSA-N 1 2 418.900 2.664 50 0 HFAALO COC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478294 568839765 /nfs/dbraw/zinc/83/97/65/568839765.db2.gz ZKMUNWHZXXPVLK-OAQYLSRUSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057478294 568839766 /nfs/dbraw/zinc/83/97/66/568839766.db2.gz ZKMUNWHZXXPVLK-OAQYLSRUSA-N 1 2 407.470 2.535 50 0 HFAALO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012556465 568855784 /nfs/dbraw/zinc/85/57/84/568855784.db2.gz UQROAHKZKDIUCU-IBGZPJMESA-N 1 2 423.908 2.966 50 0 HFAALO CCCCn1c2nc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)n(CC)c2c(=O)[nH]c1=O ZINC000012559074 568856897 /nfs/dbraw/zinc/85/68/97/568856897.db2.gz WVNKVXNNNHWGAN-GFCCVEGCSA-N 1 2 405.449 2.835 50 0 HFAALO Cc1nc(=S)[nH]c(C)c1CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012585267 568866109 /nfs/dbraw/zinc/86/61/09/568866109.db2.gz DHQQCQVRDYVNAD-UHFFFAOYSA-N 1 2 414.531 2.762 50 0 HFAALO O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000299800401 568876705 /nfs/dbraw/zinc/87/67/05/568876705.db2.gz WEKOGMHVWGFBSF-OALUTQOASA-N 1 2 415.497 2.875 50 0 HFAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C(=O)c1ccc(F)cc1 ZINC000031753973 568930339 /nfs/dbraw/zinc/93/03/39/568930339.db2.gz MOEVVJNRQYNSEE-AWEZNQCLSA-N 1 2 423.535 2.520 50 0 HFAALO Cc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1C ZINC000004060875 568936960 /nfs/dbraw/zinc/93/69/60/568936960.db2.gz XOHWHJVNFRPPHI-HXUWFJFHSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000004111060 568944094 /nfs/dbraw/zinc/94/40/94/568944094.db2.gz SGRCQLRVXOZFFH-UHFFFAOYSA-N 1 2 400.490 2.857 50 0 HFAALO CC1=C(C(=O)Nc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)SCCO1 ZINC000015678158 568965741 /nfs/dbraw/zinc/96/57/41/568965741.db2.gz LIKIHMYGAWJIOX-UHFFFAOYSA-N 1 2 424.526 2.977 50 0 HFAALO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000015727512 568978489 /nfs/dbraw/zinc/97/84/89/568978489.db2.gz OEURZBWANDCCCQ-UHFFFAOYSA-N 1 2 406.490 2.879 50 0 HFAALO CCc1cc2c(cc1S(=O)(=O)N1CC[NH+](C)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733829 568983262 /nfs/dbraw/zinc/98/32/62/568983262.db2.gz UNBNYAQZGNAHJX-UHFFFAOYSA-N 1 2 403.548 2.822 50 0 HFAALO CNC(=O)c1ccc(C[N@H+](C)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012914196 569022116 /nfs/dbraw/zinc/02/21/16/569022116.db2.gz VMYNZKCKAHPBND-AWEZNQCLSA-N 1 2 414.893 2.946 50 0 HFAALO CNC(=O)c1ccc(C[N@@H+](C)CN2C(=O)[C@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012914196 569022117 /nfs/dbraw/zinc/02/21/17/569022117.db2.gz VMYNZKCKAHPBND-AWEZNQCLSA-N 1 2 414.893 2.946 50 0 HFAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000012915953 569022571 /nfs/dbraw/zinc/02/25/71/569022571.db2.gz CEESBFBRJHWTTG-FGZHOGPDSA-N 1 2 420.513 2.713 50 0 HFAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000012915953 569022572 /nfs/dbraw/zinc/02/25/72/569022572.db2.gz CEESBFBRJHWTTG-FGZHOGPDSA-N 1 2 420.513 2.713 50 0 HFAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1cc(Cl)ccc1Cl ZINC000012944395 569028963 /nfs/dbraw/zinc/02/89/63/569028963.db2.gz LNIUSAKUFTVWMS-UHFFFAOYSA-N 1 2 402.303 2.704 50 0 HFAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)c[nH+]2)C[C@H](C)O1 ZINC000229704663 569040658 /nfs/dbraw/zinc/04/06/58/569040658.db2.gz NGBXHMFHNRAGED-BIENJYKASA-N 1 2 401.894 2.969 50 0 HFAALO CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000035624724 569046661 /nfs/dbraw/zinc/04/66/61/569046661.db2.gz YTNXLNLPEPNVEJ-UHFFFAOYSA-N 1 2 401.532 2.584 50 0 HFAALO O=C(NCCc1c[nH+]c[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245256055 569055534 /nfs/dbraw/zinc/05/55/34/569055534.db2.gz MYLVTZNJYAHIHL-SHTZXODSSA-N 1 2 424.954 2.507 50 0 HFAALO O=C(NCCc1c[nH]c[nH+]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000245256055 569055535 /nfs/dbraw/zinc/05/55/35/569055535.db2.gz MYLVTZNJYAHIHL-SHTZXODSSA-N 1 2 424.954 2.507 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](C)c4nncn4C)csc3C2)nc1 ZINC000426378305 569072497 /nfs/dbraw/zinc/07/24/97/569072497.db2.gz YUQHOUZRQRPILP-AWEZNQCLSA-N 1 2 410.547 2.883 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](C)c4nncn4C)csc3C2)nc1 ZINC000426378305 569072498 /nfs/dbraw/zinc/07/24/98/569072498.db2.gz YUQHOUZRQRPILP-AWEZNQCLSA-N 1 2 410.547 2.883 50 0 HFAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(-n2cnnn2)c1 ZINC000006653871 569082737 /nfs/dbraw/zinc/08/27/37/569082737.db2.gz ITINCWCZKXGPPK-UHFFFAOYSA-N 1 2 417.498 2.929 50 0 HFAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(-n2cnnn2)c1 ZINC000006653871 569082738 /nfs/dbraw/zinc/08/27/38/569082738.db2.gz ITINCWCZKXGPPK-UHFFFAOYSA-N 1 2 417.498 2.929 50 0 HFAALO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158937 569102569 /nfs/dbraw/zinc/10/25/69/569102569.db2.gz ACHOVCXUQLMNMK-INIZCTEOSA-N 1 2 413.543 2.873 50 0 HFAALO CCOC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158937 569102570 /nfs/dbraw/zinc/10/25/70/569102570.db2.gz ACHOVCXUQLMNMK-INIZCTEOSA-N 1 2 413.543 2.873 50 0 HFAALO COc1ccc2c(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000019369980 569124390 /nfs/dbraw/zinc/12/43/90/569124390.db2.gz XUCXUMQYSBTQDA-UHFFFAOYSA-N 1 2 408.454 2.848 50 0 biogenic HFAALO COc1ccc2c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000019369980 569124391 /nfs/dbraw/zinc/12/43/91/569124391.db2.gz XUCXUMQYSBTQDA-UHFFFAOYSA-N 1 2 408.454 2.848 50 0 biogenic HFAALO CC(C)COC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000169677347 569125399 /nfs/dbraw/zinc/12/53/99/569125399.db2.gz LGAIMUBKPTYZNE-FGZHOGPDSA-N 1 2 424.557 2.658 50 0 HFAALO CC(C)COC[C@H](O)C[N@H+]1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000169677347 569125400 /nfs/dbraw/zinc/12/54/00/569125400.db2.gz LGAIMUBKPTYZNE-FGZHOGPDSA-N 1 2 424.557 2.658 50 0 HFAALO Cc1noc(-c2ccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)s2)c1C ZINC000065031321 569157362 /nfs/dbraw/zinc/15/73/62/569157362.db2.gz ULONSPZKPVROBU-UHFFFAOYSA-N 1 2 404.517 2.926 50 0 HFAALO CCc1ccc(S(=O)(=O)N2CC[NH+](CCc3cn(C)c4ncccc34)CC2)cc1 ZINC000065164733 569189423 /nfs/dbraw/zinc/18/94/23/569189423.db2.gz LPAUMGSVNKIAJN-UHFFFAOYSA-N 1 2 412.559 2.685 50 0 HFAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC(C(=O)OCC)CC3)C2)nc[nH+]1 ZINC000065245053 569205008 /nfs/dbraw/zinc/20/50/08/569205008.db2.gz GYIKZDIDHVKBGD-KRWDZBQOSA-N 1 2 417.554 2.707 50 0 HFAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC(C(=O)OCC)CC3)C2)[nH+]cn1 ZINC000065245053 569205009 /nfs/dbraw/zinc/20/50/09/569205009.db2.gz GYIKZDIDHVKBGD-KRWDZBQOSA-N 1 2 417.554 2.707 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)Nc1ccc(Br)cc1 ZINC000065294987 569218662 /nfs/dbraw/zinc/21/86/62/569218662.db2.gz HXQUZKULBHPFSJ-UHFFFAOYSA-N 1 2 401.268 2.828 50 0 HFAALO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007191914 569228209 /nfs/dbraw/zinc/22/82/09/569228209.db2.gz HMDXIRUFIUWNNV-INIZCTEOSA-N 1 2 416.528 2.719 50 0 HFAALO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007191914 569228210 /nfs/dbraw/zinc/22/82/10/569228210.db2.gz HMDXIRUFIUWNNV-INIZCTEOSA-N 1 2 416.528 2.719 50 0 HFAALO C[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)CC1 ZINC000170591774 569240701 /nfs/dbraw/zinc/24/07/01/569240701.db2.gz SDYQDJXNLJILGK-LBPRGKRZSA-N 1 2 403.331 2.834 50 0 HFAALO C[C@@H]1[C@H](C(=O)N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000170605145 569244584 /nfs/dbraw/zinc/24/45/84/569244584.db2.gz VEGOHEUOUHPTFJ-HZPDHXFCSA-N 1 2 413.522 2.857 50 0 HFAALO C[C@@H](CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000089901309 569268191 /nfs/dbraw/zinc/26/81/91/569268191.db2.gz VFHICFLPLGKPHE-INIZCTEOSA-N 1 2 409.502 2.595 50 0 HFAALO Cc1cccc(C[NH+]2CCN(CN3c4cc(N5CCCC5)ccc4C(=O)C3=O)CC2)c1 ZINC000054429142 569280621 /nfs/dbraw/zinc/28/06/21/569280621.db2.gz OJCUBISJQQLUQM-UHFFFAOYSA-N 1 2 418.541 2.900 50 0 HFAALO Cn1nc2nc(N3CCN(c4cccc[nH+]4)CC3)nc(-c3cccc(F)c3F)c2c1N ZINC000037361514 569283727 /nfs/dbraw/zinc/28/37/27/569283727.db2.gz AIQCZNHHCOBMNA-UHFFFAOYSA-N 1 2 422.443 2.612 50 0 HFAALO O=C(C[N@H+]1CCC[C@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000252680144 569319961 /nfs/dbraw/zinc/31/99/61/569319961.db2.gz WNNJNXUVTLDDFL-SFTDATJTSA-N 1 2 422.566 2.791 50 0 HFAALO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000252680144 569319962 /nfs/dbraw/zinc/31/99/62/569319962.db2.gz WNNJNXUVTLDDFL-SFTDATJTSA-N 1 2 422.566 2.791 50 0 HFAALO O=C(CN1C(=O)COc2ccccc21)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000328591882 569415127 /nfs/dbraw/zinc/41/51/27/569415127.db2.gz JIGKJSFNPQNHNW-UHFFFAOYSA-N 1 2 404.470 2.770 50 0 HFAALO Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328594952 569415893 /nfs/dbraw/zinc/41/58/93/569415893.db2.gz GPZUNFDMGAAZIL-DLBZAZTESA-N 1 2 408.424 2.933 50 0 HFAALO Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328594952 569415895 /nfs/dbraw/zinc/41/58/95/569415895.db2.gz GPZUNFDMGAAZIL-DLBZAZTESA-N 1 2 408.424 2.933 50 0 HFAALO COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3N2)c1 ZINC000019589799 569424166 /nfs/dbraw/zinc/42/41/66/569424166.db2.gz ZEQDEYDJGZPGBA-SJORKVTESA-N 1 2 423.439 2.940 50 0 HFAALO O=C(CCN1C(=O)CC2(CCCC2)C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000079478201 569431604 /nfs/dbraw/zinc/43/16/04/569431604.db2.gz SSZJCZDZBAYMBX-RMKNXTFCSA-N 1 2 409.530 2.553 50 0 HFAALO CS(=O)(=O)N1CCC(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000038671598 571060538 /nfs/dbraw/zinc/06/05/38/571060538.db2.gz RYWPACDCMAIZAH-UHFFFAOYSA-N 1 2 418.563 2.625 50 0 HFAALO CC[C@@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000067291500 571067320 /nfs/dbraw/zinc/06/73/20/571067320.db2.gz IAQZQVNHBFKLOK-CYBMUJFWSA-N 1 2 404.511 2.886 50 0 HFAALO CC[C@@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000067291500 571067322 /nfs/dbraw/zinc/06/73/22/571067322.db2.gz IAQZQVNHBFKLOK-CYBMUJFWSA-N 1 2 404.511 2.886 50 0 HFAALO CC1=[NH+]N(Cc2ccc(Cl)c(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000008706124 571103605 /nfs/dbraw/zinc/10/36/05/571103605.db2.gz YJTYEGHMBBHUBP-JTQLQIEISA-N 1 2 421.288 2.698 50 0 HFAALO Cc1sc2nc(C[NH+]3CCC(C)CC3)n(CC(=O)N3CCCC3)c(=O)c2c1C ZINC000008751268 571112112 /nfs/dbraw/zinc/11/21/12/571112112.db2.gz SHRNIGIMYORKQL-UHFFFAOYSA-N 1 2 402.564 2.929 50 0 HFAALO O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCCCn1cc[nH+]c1 ZINC000008791952 571120122 /nfs/dbraw/zinc/12/01/22/571120122.db2.gz UPROLYVYFNZSOR-UHFFFAOYSA-N 1 2 419.437 2.947 50 0 biogenic HFAALO O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NCCCn1cc[nH+]c1 ZINC000008791952 571120125 /nfs/dbraw/zinc/12/01/25/571120125.db2.gz UPROLYVYFNZSOR-UHFFFAOYSA-N 1 2 419.437 2.947 50 0 biogenic HFAALO O=C(CC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000040024985 571139929 /nfs/dbraw/zinc/13/99/29/571139929.db2.gz OCJNJDGFEODZBS-UHFFFAOYSA-N 1 2 415.497 2.858 50 0 HFAALO CN(Cc1cccc(F)c1)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120344 571176352 /nfs/dbraw/zinc/17/63/52/571176352.db2.gz IAXCOZDJBGZLJL-JOCHJYFZSA-N 1 2 409.505 2.833 50 0 HFAALO CN(Cc1cccc(F)c1)C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120344 571176357 /nfs/dbraw/zinc/17/63/57/571176357.db2.gz IAXCOZDJBGZLJL-JOCHJYFZSA-N 1 2 409.505 2.833 50 0 HFAALO Cc1oncc1C(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(O)c1 ZINC000040156193 571203496 /nfs/dbraw/zinc/20/34/96/571203496.db2.gz LWYGRSSEVHTQIE-UHFFFAOYSA-N 1 2 421.457 2.866 50 0 HFAALO COc1ccc(CCS(=O)(=O)NC[C@H](c2ccoc2)[NH+]2CCSCC2)cc1 ZINC000244947630 571210699 /nfs/dbraw/zinc/21/06/99/571210699.db2.gz DTWXFQRNVLLPAG-LJQANCHMSA-N 1 2 410.561 2.540 50 0 HFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(O)[nH]c(=O)n(C2CCCCCC2)c1=O ZINC000009319818 571247898 /nfs/dbraw/zinc/24/78/98/571247898.db2.gz HQECRVLCHNZMNR-FQEVSTJZSA-N 1 2 424.501 2.863 50 0 biogenic HFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(=O)[nH]c(=O)n(C2CCCCCC2)c1O ZINC000009319818 571247900 /nfs/dbraw/zinc/24/79/00/571247900.db2.gz HQECRVLCHNZMNR-FQEVSTJZSA-N 1 2 424.501 2.863 50 0 biogenic HFAALO C[C@@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000009421365 571257098 /nfs/dbraw/zinc/25/70/98/571257098.db2.gz ZYSCWPLLXBBJBF-CYBMUJFWSA-N 1 2 416.938 2.831 50 0 HFAALO CCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1 ZINC000009526745 571265900 /nfs/dbraw/zinc/26/59/00/571265900.db2.gz DUFGOBCFSMDEAZ-UHFFFAOYSA-N 1 2 420.513 2.743 50 0 biogenic HFAALO C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000009550230 571268136 /nfs/dbraw/zinc/26/81/36/571268136.db2.gz LKVZBLADTXSATF-FQEVSTJZSA-N 1 2 412.833 2.726 50 0 HFAALO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000005062524 132300063 /nfs/dbraw/zinc/30/00/63/132300063.db2.gz QNBXAAGBXRJDAX-QFIPXVFZSA-N 1 2 414.509 2.772 50 0 HFAALO O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007081592 132322326 /nfs/dbraw/zinc/32/23/26/132322326.db2.gz GQJIDARFJHRRRQ-UHFFFAOYSA-N 1 2 421.530 2.511 50 0 HFAALO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000008983202 132334383 /nfs/dbraw/zinc/33/43/83/132334383.db2.gz KDGZKJRAAICNDD-INIZCTEOSA-N 1 2 422.533 2.777 50 0 HFAALO Nc1ncnc2sc3c(c21)CCN(c1[nH+]cnc2c1cnn2-c1ccccc1)C3 ZINC000009368079 132339061 /nfs/dbraw/zinc/33/90/61/132339061.db2.gz DUXLAWGTIZKJNQ-UHFFFAOYSA-N 1 2 400.471 2.965 50 0 HFAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000011666056 132348989 /nfs/dbraw/zinc/34/89/89/132348989.db2.gz PWNSMLMCVGJTCP-UHFFFAOYSA-N 1 2 417.473 2.902 50 0 HFAALO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000012517263 132361443 /nfs/dbraw/zinc/36/14/43/132361443.db2.gz FVAYMWWREIPASI-HXUWFJFHSA-N 1 2 408.546 2.911 50 0 HFAALO COc1ccc(-c2c(C)nn3c2nc(C)cc3NCC[NH+]2CCOCC2)cc1OC ZINC000020546615 523079864 /nfs/dbraw/zinc/07/98/64/523079864.db2.gz RITGMCAEZVMEQO-UHFFFAOYSA-N 1 2 411.506 2.774 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1OC ZINC000019787547 524030926 /nfs/dbraw/zinc/03/09/26/524030926.db2.gz QBAIIGMSEXQZOX-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000032797338 524150694 /nfs/dbraw/zinc/15/06/94/524150694.db2.gz FISUSABAUXJOTN-HXUWFJFHSA-N 1 2 400.567 2.651 50 0 HFAALO Cc1c(C)c(C)c(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(C)c1C ZINC000024750129 525674759 /nfs/dbraw/zinc/67/47/59/525674759.db2.gz QTXBADWOMYIVTB-UHFFFAOYSA-N 1 2 421.607 2.548 50 0 HFAALO Cc1c(C)c(C)c(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(C)c1C ZINC000024750129 525674768 /nfs/dbraw/zinc/67/47/68/525674768.db2.gz QTXBADWOMYIVTB-UHFFFAOYSA-N 1 2 421.607 2.548 50 0 HFAALO C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000020548064 525940692 /nfs/dbraw/zinc/94/06/92/525940692.db2.gz RUNJEDIDWGMGLU-KRWDZBQOSA-N 1 2 422.481 2.676 50 0 biogenic HFAALO C[C@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)n1cnc2ccccc21 ZINC000031816933 525983034 /nfs/dbraw/zinc/98/30/34/525983034.db2.gz KMODNCUWDQAUBK-QGZVFWFLSA-N 1 2 406.486 2.713 50 0 HFAALO Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000020537468 526246475 /nfs/dbraw/zinc/24/64/75/526246475.db2.gz KBDXJIPKGQHJAS-NRFANRHFSA-N 1 2 423.561 2.695 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000044331376 526771224 /nfs/dbraw/zinc/77/12/24/526771224.db2.gz YMYMJAQHTGHDHC-FQEVSTJZSA-N 1 2 412.490 2.798 50 0 HFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccccc1I ZINC000032777610 526772038 /nfs/dbraw/zinc/77/20/38/526772038.db2.gz IONLWZJRDFAAMX-UHFFFAOYSA-N 1 2 404.211 2.802 50 0 HFAALO O=C(c1ccccc1OC[C@H]1CCCO1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032843363 526810230 /nfs/dbraw/zinc/81/02/30/526810230.db2.gz TWDGRISZRSHXMA-LJQANCHMSA-N 1 2 424.497 2.931 50 0 HFAALO COc1ccc(NC2=[NH+][C@H](C(=O)Nc3cc(Cl)ccc3OC)C=C(O)N2)cc1 ZINC000009190770 557827102 /nfs/dbraw/zinc/82/71/02/557827102.db2.gz OADURVUUNVEPMS-HNNXBMFYSA-N 1 2 402.838 2.652 50 0 HFAALO COc1ccccc1CCc1nnc(CCC(=O)NCCc2cn3ccccc3[nH+]2)o1 ZINC000011664509 558268207 /nfs/dbraw/zinc/26/82/07/558268207.db2.gz MZSFQJBENZWIBF-UHFFFAOYSA-N 1 2 419.485 2.803 50 0 HFAALO COc1ccc(C[NH+]2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)cc1OC ZINC000019852217 558295861 /nfs/dbraw/zinc/29/58/61/558295861.db2.gz FWMVLZGMEBLKIM-UHFFFAOYSA-N 1 2 402.491 2.744 50 0 HFAALO COc1ccc(CN2CC[NH+](Cc3cc(OC)c(O)c(OC)c3)CC2)cc1OC ZINC000019852217 558295864 /nfs/dbraw/zinc/29/58/64/558295864.db2.gz FWMVLZGMEBLKIM-UHFFFAOYSA-N 1 2 402.491 2.744 50 0 HFAALO Cc1cc(OCC(=O)N2CC[NH+](CCc3ccccn3)CC2)c2c(C)cc(=O)oc2c1 ZINC000020649859 558397416 /nfs/dbraw/zinc/39/74/16/558397416.db2.gz CRQZFBPQLFLHMH-UHFFFAOYSA-N 1 2 421.497 2.571 50 0 HFAALO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020647552 558397470 /nfs/dbraw/zinc/39/74/70/558397470.db2.gz CXLYBPSJBYPNJG-UHFFFAOYSA-N 1 2 419.481 2.708 50 0 HFAALO COc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021548806 558441268 /nfs/dbraw/zinc/44/12/68/558441268.db2.gz DJKVZFBGQSVYGG-XZOQPEGZSA-N 1 2 410.514 2.652 50 0 HFAALO C[C@@H]1Cc2cc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000012629668 558441381 /nfs/dbraw/zinc/44/13/81/558441381.db2.gz KMMDMVMPKUXBCS-QRWLVFNGSA-N 1 2 424.526 2.650 50 0 HFAALO Cc1nc([C@@H](C)N(C)C(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)c(C)s1 ZINC000012704677 558449399 /nfs/dbraw/zinc/44/93/99/558449399.db2.gz KPBGCISJTFCRTA-OAHLLOKOSA-N 1 2 419.599 2.978 50 0 HFAALO C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 ZINC000004385511 558482826 /nfs/dbraw/zinc/48/28/26/558482826.db2.gz VZUUGHFESPDJKZ-AWEZNQCLSA-N 1 2 415.925 2.510 50 0 HFAALO C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 ZINC000004385511 558482830 /nfs/dbraw/zinc/48/28/30/558482830.db2.gz VZUUGHFESPDJKZ-AWEZNQCLSA-N 1 2 415.925 2.510 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 ZINC000012974327 558490399 /nfs/dbraw/zinc/49/03/99/558490399.db2.gz DDDVQJDDXGZRTG-UHFFFAOYSA-N 1 2 420.307 2.690 50 0 HFAALO O=C([C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCCC1 ZINC000022774574 558509368 /nfs/dbraw/zinc/50/93/68/558509368.db2.gz OMEDZFRVBKZMSP-HSZRJFAPSA-N 1 2 407.514 2.897 50 0 HFAALO O=C([C@@H](c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCCC1 ZINC000022774574 558509370 /nfs/dbraw/zinc/50/93/70/558509370.db2.gz OMEDZFRVBKZMSP-HSZRJFAPSA-N 1 2 407.514 2.897 50 0 HFAALO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022784206 558510600 /nfs/dbraw/zinc/51/06/00/558510600.db2.gz SEWJGYCORFPIFX-KZNAEPCWSA-N 1 2 404.530 2.560 50 0 HFAALO CCn1c(C[N@H+](C)Cc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013097119 558513397 /nfs/dbraw/zinc/51/33/97/558513397.db2.gz RYLOGEQDVDZKKL-UHFFFAOYSA-N 1 2 416.547 2.947 50 0 HFAALO CCn1c(C[N@@H+](C)Cc2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013097119 558513399 /nfs/dbraw/zinc/51/33/99/558513399.db2.gz RYLOGEQDVDZKKL-UHFFFAOYSA-N 1 2 416.547 2.947 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000022834572 558515771 /nfs/dbraw/zinc/51/57/71/558515771.db2.gz NKVRMIRHTOQNMR-QHCPKHFHSA-N 1 2 421.541 2.921 50 0 HFAALO CCOc1ccccc1[C@H]1C(C(N)=O)=C(C)N=C2[NH+]=C(c3ccc(OC)cc3)NN21 ZINC000013123454 558518081 /nfs/dbraw/zinc/51/80/81/558518081.db2.gz NMHSTTMKOCKHGH-IBGZPJMESA-N 1 2 405.458 2.531 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000022913734 558520539 /nfs/dbraw/zinc/52/05/39/558520539.db2.gz YJHYRRJRFKWATI-SPLOXXLWSA-N 1 2 413.547 2.653 50 0 HFAALO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)cc1 ZINC000022931952 558524719 /nfs/dbraw/zinc/52/47/19/558524719.db2.gz XCNLPZKEEONWIU-LJQANCHMSA-N 1 2 400.567 2.596 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000022933940 558525722 /nfs/dbraw/zinc/52/57/22/558525722.db2.gz WUDUWXJEBMPLBA-IKGGRYGDSA-N 1 2 410.543 2.884 50 0 HFAALO O=C(c1ccsc1)N1CCC[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373747 558553549 /nfs/dbraw/zinc/55/35/49/558553549.db2.gz PREWLNXLYWUWHX-IBGZPJMESA-N 1 2 413.543 2.899 50 0 HFAALO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1=O ZINC000023731302 558571456 /nfs/dbraw/zinc/57/14/56/558571456.db2.gz AINXYNXJHKLKJO-UNMCSNQZSA-N 1 2 421.541 2.819 50 0 HFAALO O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023865150 558578495 /nfs/dbraw/zinc/57/84/95/558578495.db2.gz OQUPLVDXLAGEFE-UHFFFAOYSA-N 1 2 406.486 2.818 50 0 HFAALO CC1(C)Cc2cccc(OCC(=O)NCc3ccccc3C[NH+]3CCOCC3)c2O1 ZINC000024061444 558587370 /nfs/dbraw/zinc/58/73/70/558587370.db2.gz SMIPVFSYQPCPDO-UHFFFAOYSA-N 1 2 410.514 2.928 50 0 HFAALO O=C(c1cnn(Cc2ccccc2)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024114752 558589639 /nfs/dbraw/zinc/58/96/39/558589639.db2.gz NEYUFCRYXXIFMH-UHFFFAOYSA-N 1 2 402.498 2.824 50 0 HFAALO CC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000014199109 558635211 /nfs/dbraw/zinc/63/52/11/558635211.db2.gz BXHVWSXGEAXMPA-HNNXBMFYSA-N 1 2 421.501 2.952 50 0 HFAALO O=C(NC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)c1ccccc1 ZINC000014244294 558645741 /nfs/dbraw/zinc/64/57/41/558645741.db2.gz JLNUOCLIPPGEAX-IBGZPJMESA-N 1 2 411.889 2.866 50 0 HFAALO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000014539863 558659372 /nfs/dbraw/zinc/65/93/72/558659372.db2.gz ZVWFTCKVKUYCSZ-LEWJYISDSA-N 1 2 422.916 2.575 50 0 HFAALO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000014539863 558659375 /nfs/dbraw/zinc/65/93/75/558659375.db2.gz ZVWFTCKVKUYCSZ-LEWJYISDSA-N 1 2 422.916 2.575 50 0 HFAALO COc1ccccc1C[NH+]1CCN(C(=O)c2cn(Cc3ccccc3C)nn2)CC1 ZINC000014958652 558683135 /nfs/dbraw/zinc/68/31/35/558683135.db2.gz YIORARQIUKUSHZ-UHFFFAOYSA-N 1 2 405.502 2.601 50 0 HFAALO C[C@H]1CCCN(S(=O)(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000027964655 558685283 /nfs/dbraw/zinc/68/52/83/558685283.db2.gz RWUBHIOCMGDXRH-HNNXBMFYSA-N 1 2 405.486 2.800 50 0 HFAALO CC[N@H+](CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1 ZINC000070037308 558702326 /nfs/dbraw/zinc/70/23/26/558702326.db2.gz ZJFXFVUSZYPKFR-UHFFFAOYSA-N 1 2 410.561 2.822 50 0 HFAALO CC[N@@H+](CCCNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1 ZINC000070037308 558702330 /nfs/dbraw/zinc/70/23/30/558702330.db2.gz ZJFXFVUSZYPKFR-UHFFFAOYSA-N 1 2 410.561 2.822 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)CCc3c(C)noc3C)CC2)c(OC)c1OC ZINC000028635969 558702747 /nfs/dbraw/zinc/70/27/47/558702747.db2.gz JRUMOJNUTVWPCS-UHFFFAOYSA-N 1 2 417.506 2.594 50 0 HFAALO CC[N@@H+](Cc1nc(CNC(=O)c2ccccc2)no1)C[C@H]1COc2ccccc2O1 ZINC000029525666 558716604 /nfs/dbraw/zinc/71/66/04/558716604.db2.gz AKMGZKGXIGBGPD-KRWDZBQOSA-N 1 2 408.458 2.662 50 0 HFAALO CC[N@H+](Cc1nc(CNC(=O)c2ccccc2)no1)C[C@H]1COc2ccccc2O1 ZINC000029525666 558716608 /nfs/dbraw/zinc/71/66/08/558716608.db2.gz AKMGZKGXIGBGPD-KRWDZBQOSA-N 1 2 408.458 2.662 50 0 HFAALO Cc1cc(=O)c(C(=O)NCc2cccnc2-n2cc[nH+]c2)nn1-c1ccc(Cl)cc1 ZINC000029915049 558724095 /nfs/dbraw/zinc/72/40/95/558724095.db2.gz JAHNMLCDZRGTFK-UHFFFAOYSA-N 1 2 420.860 2.705 50 0 HFAALO COc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]n2)c1 ZINC000015679314 558748857 /nfs/dbraw/zinc/74/88/57/558748857.db2.gz FBPUVQHXEZGGPB-UHFFFAOYSA-N 1 2 420.469 2.772 50 0 HFAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000034872301 558786412 /nfs/dbraw/zinc/78/64/12/558786412.db2.gz SFIVITLKTKCVNR-UHFFFAOYSA-N 1 2 400.910 2.796 50 0 HFAALO COc1ccc([C@H](NC(=O)c2nn(-c3ccccc3)nc2C)c2[nH+]ccn2C)cc1 ZINC000016475250 558793433 /nfs/dbraw/zinc/79/34/33/558793433.db2.gz UPRSXBQERKCLRI-FQEVSTJZSA-N 1 2 402.458 2.837 50 0 HFAALO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1C ZINC000038530838 558812491 /nfs/dbraw/zinc/81/24/91/558812491.db2.gz QMPMRVBGKKGTLS-UHFFFAOYSA-N 1 2 415.563 2.513 50 0 HFAALO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1C ZINC000038530838 558812493 /nfs/dbraw/zinc/81/24/93/558812493.db2.gz QMPMRVBGKKGTLS-UHFFFAOYSA-N 1 2 415.563 2.513 50 0 HFAALO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](Cc2cccnc2)CC1 ZINC000039537443 558822250 /nfs/dbraw/zinc/82/22/50/558822250.db2.gz APTKTFCODXFEFD-UHFFFAOYSA-N 1 2 420.506 2.982 50 0 HFAALO O=C(c1cn(Cc2ccccc2F)nn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019217591 558850834 /nfs/dbraw/zinc/85/08/34/558850834.db2.gz CQKNPSKGWLZWBA-RMKNXTFCSA-N 1 2 405.477 2.937 50 0 HFAALO C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(C[N@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034053 558857900 /nfs/dbraw/zinc/85/79/00/558857900.db2.gz MUNVOJGGQFOYCK-WMLDXEAASA-N 1 2 407.898 2.978 50 0 HFAALO C[C@H]1CCCC[C@H]1N1C(=O)C(=O)N(C[N@@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034053 558857902 /nfs/dbraw/zinc/85/79/02/558857902.db2.gz MUNVOJGGQFOYCK-WMLDXEAASA-N 1 2 407.898 2.978 50 0 HFAALO COc1ccccc1N1CC[NH+](CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1 ZINC000053122805 558862652 /nfs/dbraw/zinc/86/26/52/558862652.db2.gz JFNKXGOEOQCXDM-UHFFFAOYSA-N 1 2 407.514 2.777 50 0 in-vivo HFAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019309287 558866800 /nfs/dbraw/zinc/86/68/00/558866800.db2.gz COWDEYDTQDITNY-GOSISDBHSA-N 1 2 402.466 2.599 50 0 HFAALO Cc1noc2nc(C)cc(C(=O)OCC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)c12 ZINC000010652569 558870611 /nfs/dbraw/zinc/87/06/11/558870611.db2.gz NPBUVADNLFHAJO-IBGZPJMESA-N 1 2 419.441 2.636 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1)NCc1scnc1-c1ccccc1 ZINC000055153288 558874177 /nfs/dbraw/zinc/87/41/77/558874177.db2.gz KWKRWLFWOBVLJN-IBGZPJMESA-N 1 2 420.538 2.817 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)NCc1scnc1-c1ccccc1 ZINC000055153288 558874182 /nfs/dbraw/zinc/87/41/82/558874182.db2.gz KWKRWLFWOBVLJN-IBGZPJMESA-N 1 2 420.538 2.817 50 0 HFAALO CSc1nnnn1-c1cccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000058097384 558898681 /nfs/dbraw/zinc/89/86/81/558898681.db2.gz FQJDJMYRJFJVAI-UHFFFAOYSA-N 1 2 415.548 2.795 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000072139272 558928877 /nfs/dbraw/zinc/92/88/77/558928877.db2.gz GGEXKHQFTJDSTA-UHFFFAOYSA-N 1 2 413.869 2.678 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019670417 558956544 /nfs/dbraw/zinc/95/65/44/558956544.db2.gz NKNPIWJGVNIUSN-AWEZNQCLSA-N 1 2 413.349 2.560 50 0 HFAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019670415 558956632 /nfs/dbraw/zinc/95/66/32/558956632.db2.gz NKNPIWJGVNIUSN-CQSZACIVSA-N 1 2 413.349 2.560 50 0 HFAALO COc1cc2c(cc1OC)-c1c(c(C(=O)N3CC[NH+](C)CC3)nn1-c1ccccc1)C2 ZINC000096693163 558984308 /nfs/dbraw/zinc/98/43/08/558984308.db2.gz BMFIQKUZADXDPJ-UHFFFAOYSA-N 1 2 418.497 2.848 50 0 HFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000067604018 558988162 /nfs/dbraw/zinc/98/81/62/558988162.db2.gz ZCTROZIVHZICFU-UHFFFAOYSA-N 1 2 400.845 2.726 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023156940 559021946 /nfs/dbraw/zinc/02/19/46/559021946.db2.gz NUCMDPKOGVLIRF-CQSZACIVSA-N 1 2 405.911 2.745 50 0 HFAALO O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(c1nc(-c3ccccc3)no1)CC2 ZINC000095511184 559083803 /nfs/dbraw/zinc/08/38/03/559083803.db2.gz MQQDGWAHCLYGCO-UHFFFAOYSA-N 1 2 404.474 2.750 50 0 HFAALO CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000096280310 559108724 /nfs/dbraw/zinc/10/87/24/559108724.db2.gz HKJPBXWWUYLBBX-OAQYLSRUSA-N 1 2 421.969 2.948 50 0 HFAALO CC[N@@H+]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c32)C1 ZINC000098212127 559127612 /nfs/dbraw/zinc/12/76/12/559127612.db2.gz NMFAZLGKPUWUGW-UHFFFAOYSA-N 1 2 400.529 2.525 50 0 HFAALO CC[N@H+]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(N)c(=O)c32)C1 ZINC000098212127 559127613 /nfs/dbraw/zinc/12/76/13/559127613.db2.gz NMFAZLGKPUWUGW-UHFFFAOYSA-N 1 2 400.529 2.525 50 0 HFAALO O=C1C[C@H]([NH+]2CCC(Nc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100209984 559131868 /nfs/dbraw/zinc/13/18/68/559131868.db2.gz OBDLMZXQNHHWSC-SFHVURJKSA-N 1 2 411.433 2.763 50 0 HFAALO CC(C)(C)[N@@H+]1CCOP1O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H]1COC(C)(C)O1 ZINC000263621528 559166509 /nfs/dbraw/zinc/16/65/09/559166509.db2.gz XXJKJLFIYTWREQ-WLECLIQDSA-N 1 2 405.428 2.757 50 0 HFAALO CC(C)(C)[N@H+]1CCOP1O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H]1COC(C)(C)O1 ZINC000263621528 559166510 /nfs/dbraw/zinc/16/65/10/559166510.db2.gz XXJKJLFIYTWREQ-WLECLIQDSA-N 1 2 405.428 2.757 50 0 HFAALO COc1cccc([C@H](NC(=O)C[C@H](NC(C)=O)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000024017625 559187518 /nfs/dbraw/zinc/18/75/18/559187518.db2.gz LEKHPZIBOJDUHD-UNMCSNQZSA-N 1 2 406.486 2.902 50 0 HFAALO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000011719593 559255042 /nfs/dbraw/zinc/25/50/42/559255042.db2.gz FIJGKAGLHSRFOJ-CQSZACIVSA-N 1 2 423.560 2.527 50 0 HFAALO O=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100758512 559264441 /nfs/dbraw/zinc/26/44/41/559264441.db2.gz IWVPSWPFEBJCCP-SFHVURJKSA-N 1 2 408.845 2.601 50 0 biogenic HFAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c32)C1 ZINC000005219236 560544133 /nfs/dbraw/zinc/54/41/33/560544133.db2.gz VWYDBCFIIXMHOH-LBPRGKRZSA-N 1 2 421.881 2.822 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c32)C1 ZINC000005219236 560544134 /nfs/dbraw/zinc/54/41/34/560544134.db2.gz VWYDBCFIIXMHOH-LBPRGKRZSA-N 1 2 421.881 2.822 50 0 HFAALO O=S(=O)(NCCCn1cc[nH+]c1)c1cc(Br)ccc1Br ZINC000008714567 560756062 /nfs/dbraw/zinc/75/60/62/560756062.db2.gz LJFNBGWDGSAJAY-UHFFFAOYSA-N 1 2 423.130 2.777 50 0 HFAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000104716600 560852880 /nfs/dbraw/zinc/85/28/80/560852880.db2.gz BEZHUKVBICSJMA-HZPDHXFCSA-N 1 2 408.424 2.521 50 0 HFAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000104716600 560852882 /nfs/dbraw/zinc/85/28/82/560852882.db2.gz BEZHUKVBICSJMA-HZPDHXFCSA-N 1 2 408.424 2.521 50 0 HFAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000047733752 568431094 /nfs/dbraw/zinc/43/10/94/568431094.db2.gz ZDQGNHSTXWVTOR-UHFFFAOYSA-N 1 2 404.474 2.609 50 0 HFAALO CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000048252382 568434340 /nfs/dbraw/zinc/43/43/40/568434340.db2.gz DEKOETUDLNUMPJ-UHFFFAOYSA-N 1 2 401.532 2.937 50 0 HFAALO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048288678 568434776 /nfs/dbraw/zinc/43/47/76/568434776.db2.gz NUUMQUOJRLPZPO-GASCZTMLSA-N 1 2 404.942 2.910 50 0 HFAALO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048288678 568434778 /nfs/dbraw/zinc/43/47/78/568434778.db2.gz NUUMQUOJRLPZPO-GASCZTMLSA-N 1 2 404.942 2.910 50 0 HFAALO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NC(C)C)cn3C2CC2)CC1 ZINC000051364375 568436379 /nfs/dbraw/zinc/43/63/79/568436379.db2.gz BTNUONDHLDLPLW-UHFFFAOYSA-N 1 2 400.498 2.756 50 0 HFAALO COc1ccccc1CNC(=O)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1 ZINC000048987338 568443933 /nfs/dbraw/zinc/44/39/33/568443933.db2.gz PSYRSTDEFQCKGJ-UHFFFAOYSA-N 1 2 411.889 2.865 50 0 HFAALO COc1ccccc1CNC(=O)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1 ZINC000048987338 568443934 /nfs/dbraw/zinc/44/39/34/568443934.db2.gz PSYRSTDEFQCKGJ-UHFFFAOYSA-N 1 2 411.889 2.865 50 0 HFAALO O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NCCc1c[nH+]c[nH]1 ZINC000012296962 568462589 /nfs/dbraw/zinc/46/25/89/568462589.db2.gz RWVIFNZOZRSFNK-UHFFFAOYSA-N 1 2 405.410 2.626 50 0 biogenic HFAALO COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000020287516 568597284 /nfs/dbraw/zinc/59/72/84/568597284.db2.gz JPDCAKCGIOMDGP-KUHUBIRLSA-N 1 2 420.531 2.966 50 0 HFAALO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287789 568597305 /nfs/dbraw/zinc/59/73/05/568597305.db2.gz HXKRCKUYYYXNJY-MGPUTAFESA-N 1 2 403.548 2.872 50 0 HFAALO COC(=O)c1cc(I)cc(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000095444939 568611657 /nfs/dbraw/zinc/61/16/57/568611657.db2.gz WCOUDPRMBQKGLJ-UHFFFAOYSA-N 1 2 421.194 2.978 50 0 HFAALO CCc1cccc(NC(=S)N(CC[NH+]2CCOCC2)C2CCN(C(C)=O)CC2)c1 ZINC000020730339 568640987 /nfs/dbraw/zinc/64/09/87/568640987.db2.gz WBWGYLDGLNJTKV-UHFFFAOYSA-N 1 2 418.607 2.591 50 0 HFAALO CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000225670473 568662482 /nfs/dbraw/zinc/66/24/82/568662482.db2.gz CLSDMSCYZNHORI-MRXNPFEDSA-N 1 2 408.543 2.912 50 0 HFAALO CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000225670473 568662483 /nfs/dbraw/zinc/66/24/83/568662483.db2.gz CLSDMSCYZNHORI-MRXNPFEDSA-N 1 2 408.543 2.912 50 0 HFAALO O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000096006726 568682853 /nfs/dbraw/zinc/68/28/53/568682853.db2.gz LDHUIYJYAMRZAX-ZWKOTPCHSA-N 1 2 418.519 2.678 50 0 HFAALO Cc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530739 568710841 /nfs/dbraw/zinc/71/08/41/568710841.db2.gz AEESTSXQIBCDFU-QFIPXVFZSA-N 1 2 407.514 2.531 50 0 HFAALO CCS(=O)(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096316884 568726115 /nfs/dbraw/zinc/72/61/15/568726115.db2.gz CPIDTIXHTSCORG-UHFFFAOYSA-N 1 2 418.538 2.864 50 0 HFAALO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCC(=O)NCc1ccccc1 ZINC000000892168 568741323 /nfs/dbraw/zinc/74/13/23/568741323.db2.gz JXAVRZPUCNOBPM-UHFFFAOYSA-N 1 2 406.515 2.885 50 0 HFAALO Cc1[nH]c(C)c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1-c1nnc(C2CCC2)o1 ZINC000096379727 568741355 /nfs/dbraw/zinc/74/13/55/568741355.db2.gz TXUSTGPBOFXJAW-UHFFFAOYSA-N 1 2 407.540 2.664 50 0 HFAALO O=C(c1cc2c(s1)CCCC2)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097077273 568767368 /nfs/dbraw/zinc/76/73/68/568767368.db2.gz STJZQTWAZQSBDH-SFHVURJKSA-N 1 2 401.576 2.786 50 0 HFAALO O=C(c1cc2c(s1)CCCC2)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097077273 568767370 /nfs/dbraw/zinc/76/73/70/568767370.db2.gz STJZQTWAZQSBDH-SFHVURJKSA-N 1 2 401.576 2.786 50 0 HFAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)N2CC[NH+](C)CC2)cc1OC ZINC000022468433 568768348 /nfs/dbraw/zinc/76/83/48/568768348.db2.gz GHPIHHAPYTVMQJ-KRWDZBQOSA-N 1 2 417.535 2.549 50 0 HFAALO O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225735245 568780150 /nfs/dbraw/zinc/78/01/50/568780150.db2.gz GOAQIKMKHDPFTH-UHFFFAOYSA-N 1 2 416.529 2.999 50 0 HFAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057414879 568833694 /nfs/dbraw/zinc/83/36/94/568833694.db2.gz KLDVZBVQEDZEIG-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057414879 568833695 /nfs/dbraw/zinc/83/36/95/568833695.db2.gz KLDVZBVQEDZEIG-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057414879 568833696 /nfs/dbraw/zinc/83/36/96/568833696.db2.gz KLDVZBVQEDZEIG-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057414879 568833697 /nfs/dbraw/zinc/83/36/97/568833697.db2.gz KLDVZBVQEDZEIG-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO COc1ccccc1[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1[nH+]ccn1C ZINC000012520046 568840991 /nfs/dbraw/zinc/84/09/91/568840991.db2.gz LNOWMPHRESJJLM-IBGZPJMESA-N 1 2 408.483 2.992 50 0 HFAALO CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCSCc1cn2ccccc2[nH+]1 ZINC000012534931 568844887 /nfs/dbraw/zinc/84/48/87/568844887.db2.gz KBTMJCKFNCGXMX-UHFFFAOYSA-N 1 2 407.499 2.853 50 0 HFAALO Cc1ccc(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000012539983 568847301 /nfs/dbraw/zinc/84/73/01/568847301.db2.gz XRVTYIQBFDDXSC-MRXNPFEDSA-N 1 2 419.572 2.690 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000012559902 568857228 /nfs/dbraw/zinc/85/72/28/568857228.db2.gz HPNPPKZLZXAKNR-SFHVURJKSA-N 1 2 400.841 2.848 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(F)cc1 ZINC000012560299 568858137 /nfs/dbraw/zinc/85/81/37/568858137.db2.gz SQRCQZFISRPMIL-OAQYLSRUSA-N 1 2 417.444 2.684 50 0 HFAALO O=C(NC1CC[NH+](Cc2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1)C1CCC1 ZINC000263616386 568910947 /nfs/dbraw/zinc/91/09/47/568910947.db2.gz IKEAGRTZTUBAHE-NRFANRHFSA-N 1 2 413.497 2.569 50 0 HFAALO Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C(C)C)C1=O ZINC000004765849 568936257 /nfs/dbraw/zinc/93/62/57/568936257.db2.gz YGMWVPKBYNAFQY-UHFFFAOYSA-O 1 2 421.452 2.767 50 0 HFAALO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000084562532 568951120 /nfs/dbraw/zinc/95/11/20/568951120.db2.gz KZXBZLDZERRYQS-UHFFFAOYSA-N 1 2 414.509 2.823 50 0 HFAALO O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000032249857 568951503 /nfs/dbraw/zinc/95/15/03/568951503.db2.gz MKFWCQGPEGQOAU-HXUWFJFHSA-N 1 2 406.486 2.686 50 0 HFAALO O=C(CCc1nnc(-c2ccccc2)o1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000032249857 568951505 /nfs/dbraw/zinc/95/15/05/568951505.db2.gz MKFWCQGPEGQOAU-HXUWFJFHSA-N 1 2 406.486 2.686 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)CC1 ZINC000012772620 568952827 /nfs/dbraw/zinc/95/28/27/568952827.db2.gz HDWJEQNJEVUCJB-UHFFFAOYSA-N 1 2 419.572 2.744 50 0 HFAALO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000084715119 568956872 /nfs/dbraw/zinc/95/68/72/568956872.db2.gz VXDYWCDRIVDUJR-YPMHNXCESA-N 1 2 402.442 2.692 50 0 HFAALO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000084715119 568956873 /nfs/dbraw/zinc/95/68/73/568956873.db2.gz VXDYWCDRIVDUJR-YPMHNXCESA-N 1 2 402.442 2.692 50 0 HFAALO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000012822022 569005855 /nfs/dbraw/zinc/00/58/55/569005855.db2.gz UDTYVQFVRKZTHE-CQSZACIVSA-N 1 2 423.560 2.527 50 0 HFAALO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000015880123 569017956 /nfs/dbraw/zinc/01/79/56/569017956.db2.gz YDLRRMYBGBKJIG-UHFFFAOYSA-N 1 2 422.576 2.804 50 0 HFAALO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000015880123 569017957 /nfs/dbraw/zinc/01/79/57/569017957.db2.gz YDLRRMYBGBKJIG-UHFFFAOYSA-N 1 2 422.576 2.804 50 0 HFAALO O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000575414648 569025541 /nfs/dbraw/zinc/02/55/41/569025541.db2.gz SZJDEWSCYLTBLC-HNNXBMFYSA-N 1 2 404.396 2.578 50 0 HFAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)c[nH+]2)C[C@@H](C)O1 ZINC000229704657 569040626 /nfs/dbraw/zinc/04/06/26/569040626.db2.gz NGBXHMFHNRAGED-PJIJBLCYSA-N 1 2 401.894 2.969 50 0 HFAALO COc1ccc2ccc(Oc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cn3)cc2c1 ZINC000089382747 569058844 /nfs/dbraw/zinc/05/88/44/569058844.db2.gz VKHUOUPUJOWJQX-UHFFFAOYSA-N 1 2 413.499 2.972 50 0 HFAALO COC(=O)Cn1cc[nH+]c1CNC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000089401013 569059374 /nfs/dbraw/zinc/05/93/74/569059374.db2.gz WRWCJJBNAIRDEP-UHFFFAOYSA-N 1 2 406.280 2.557 50 0 HFAALO CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006607109 569071571 /nfs/dbraw/zinc/07/15/71/569071571.db2.gz WPHQMRBPNZNSKG-CQSZACIVSA-N 1 2 406.552 2.826 50 0 HFAALO CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006607109 569071572 /nfs/dbraw/zinc/07/15/72/569071572.db2.gz WPHQMRBPNZNSKG-CQSZACIVSA-N 1 2 406.552 2.826 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCc4cnn(C)c4)csc3C2)nc1 ZINC000426550079 569073424 /nfs/dbraw/zinc/07/34/24/569073424.db2.gz SOECJMHHPGSLBF-UHFFFAOYSA-N 1 2 409.559 2.970 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCc4cnn(C)c4)csc3C2)nc1 ZINC000426550079 569073425 /nfs/dbraw/zinc/07/34/25/569073425.db2.gz SOECJMHHPGSLBF-UHFFFAOYSA-N 1 2 409.559 2.970 50 0 HFAALO CC[C@@H](C)CN1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024574 569077579 /nfs/dbraw/zinc/07/75/79/569077579.db2.gz NASPXEWCEVURFL-MJGOQNOKSA-N 1 2 407.580 2.670 50 0 HFAALO COc1cccc(/C=C2\SC(=O)N(CCC(=O)NCCCn3cc[nH+]c3)C2=O)c1 ZINC000006660525 569083181 /nfs/dbraw/zinc/08/31/81/569083181.db2.gz NZLDVOFGEZOKAS-LGMDPLHJSA-N 1 2 414.487 2.525 50 0 HFAALO O=C(NCc1cccc(F)c1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036254783 569120054 /nfs/dbraw/zinc/12/00/54/569120054.db2.gz AFZAGMGYAYGVOV-NRFANRHFSA-N 1 2 401.526 2.945 50 0 HFAALO CCC(=O)N1CC[NH+]([C@H](C(=O)Nc2cc(OC)cc(OC)c2)C2CCCC2)CC1 ZINC000036311670 569133316 /nfs/dbraw/zinc/13/33/16/569133316.db2.gz BRARGPIRIWUGGT-NRFANRHFSA-N 1 2 403.523 2.755 50 0 HFAALO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccncc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000036354286 569148071 /nfs/dbraw/zinc/14/80/71/569148071.db2.gz GKBHPUXPGYYFDZ-UHFFFAOYSA-N 1 2 407.470 2.528 50 0 HFAALO O=C(CSCc1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036358502 569149779 /nfs/dbraw/zinc/14/97/79/569149779.db2.gz APKBHTPOGMYHPH-UHFFFAOYSA-N 1 2 408.527 2.501 50 0 HFAALO O=C1c2ccc(N3CCCC3)cc2N(CN2CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000036391095 569166150 /nfs/dbraw/zinc/16/61/50/569166150.db2.gz UATMRVUIKDVSDW-UHFFFAOYSA-N 1 2 410.543 2.653 50 0 HFAALO Cn1ccnc1[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000036397739 569171073 /nfs/dbraw/zinc/17/10/73/569171073.db2.gz MVLWYYCCLWXLEP-QFIPXVFZSA-N 1 2 419.529 2.841 50 0 HFAALO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCC5)n4)ccn3n2)c(C)c1 ZINC000065235874 569202522 /nfs/dbraw/zinc/20/25/22/569202522.db2.gz IVGXEQKCZJWJMA-UHFFFAOYSA-N 1 2 404.474 2.807 50 0 HFAALO O=C(NCc1ccc(Cl)cc1)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000065239997 569203630 /nfs/dbraw/zinc/20/36/30/569203630.db2.gz XKDUAOYAVRZNPO-UHFFFAOYSA-N 1 2 414.922 2.799 50 0 HFAALO CCNc1cc(N2CCC(CCC(=O)N3CCC(C(=O)OCC)CC3)CC2)nc[nH+]1 ZINC000065274262 569215126 /nfs/dbraw/zinc/21/51/26/569215126.db2.gz ZTDSLWIRLOBQAQ-UHFFFAOYSA-N 1 2 417.554 2.707 50 0 HFAALO CCNc1cc(N2CCC(CCC(=O)N3CCC(C(=O)OCC)CC3)CC2)[nH+]cn1 ZINC000065274262 569215127 /nfs/dbraw/zinc/21/51/27/569215127.db2.gz ZTDSLWIRLOBQAQ-UHFFFAOYSA-N 1 2 417.554 2.707 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCN(c2ccccc2)CC1)NC1CCCCC1 ZINC000065295461 569218684 /nfs/dbraw/zinc/21/86/84/569218684.db2.gz PGBSDIPWUPRYNY-UHFFFAOYSA-N 1 2 419.533 2.602 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)N1CCN(c2ccccc2)CC1 ZINC000065295234 569218770 /nfs/dbraw/zinc/21/87/70/569218770.db2.gz ZNGOZOKBFCEKQP-UHFFFAOYSA-N 1 2 419.533 2.556 50 0 HFAALO COc1ccc(CCS(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700353 569222811 /nfs/dbraw/zinc/22/28/11/569222811.db2.gz GBAXKWDULPEUFV-JOCHJYFZSA-N 1 2 418.559 2.621 50 0 HFAALO COc1ccc(CCS(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700353 569222812 /nfs/dbraw/zinc/22/28/12/569222812.db2.gz GBAXKWDULPEUFV-JOCHJYFZSA-N 1 2 418.559 2.621 50 0 HFAALO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007191915 569228198 /nfs/dbraw/zinc/22/81/98/569228198.db2.gz HMDXIRUFIUWNNV-MRXNPFEDSA-N 1 2 416.528 2.719 50 0 HFAALO NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007191915 569228200 /nfs/dbraw/zinc/22/82/00/569228200.db2.gz HMDXIRUFIUWNNV-MRXNPFEDSA-N 1 2 416.528 2.719 50 0 HFAALO C[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)CC1 ZINC000170591775 569240690 /nfs/dbraw/zinc/24/06/90/569240690.db2.gz SDYQDJXNLJILGK-GFCCVEGCSA-N 1 2 403.331 2.834 50 0 HFAALO CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000014146457 569258753 /nfs/dbraw/zinc/25/87/53/569258753.db2.gz BBKDJKXDZZFNKS-GFCCVEGCSA-N 1 2 416.482 2.917 50 0 HFAALO Cc1ccc(C)c(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000017029354 569272138 /nfs/dbraw/zinc/27/21/38/569272138.db2.gz NPDZBMGCVXUPHH-FQEVSTJZSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO O=C(C[NH+]1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)CC1)N1CCCC1 ZINC000037377685 569289300 /nfs/dbraw/zinc/28/93/00/569289300.db2.gz OUPWYOHOUNPNHB-UHFFFAOYSA-N 1 2 419.888 2.806 50 0 HFAALO COc1cccc2cc(C(=O)NC[C@@H](c3ccoc3)[NH+]3CCSCC3)c(=O)oc21 ZINC000253403557 569365910 /nfs/dbraw/zinc/36/59/10/569365910.db2.gz QCHUAOTXZQIAMX-KRWDZBQOSA-N 1 2 414.483 2.915 50 0 HFAALO CN(C)[C@H](C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1)c1c[nH+]cn1C ZINC000328592172 569415270 /nfs/dbraw/zinc/41/52/70/569415270.db2.gz HKKZABGALXRFEI-NRFANRHFSA-N 1 2 404.474 2.888 50 0 HFAALO CCOC(=O)NC(=O)CSc1nnc(C[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000008881477 571140227 /nfs/dbraw/zinc/14/02/27/571140227.db2.gz AUKMZMLTFTUKFM-UHFFFAOYSA-N 1 2 417.535 2.677 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)c3ccccc3)cc2)CC1 ZINC000040114937 571172791 /nfs/dbraw/zinc/17/27/91/571172791.db2.gz LOYVSDNZFYJUSZ-UHFFFAOYSA-N 1 2 423.485 2.743 50 0 HFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 ZINC000069325592 571220009 /nfs/dbraw/zinc/22/00/09/571220009.db2.gz IUSLHFBKZVHPFR-UHFFFAOYSA-N 1 2 410.518 2.937 50 0 HFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)c2cccnc2Oc2ccccc2)CC1 ZINC000069325592 571220011 /nfs/dbraw/zinc/22/00/11/571220011.db2.gz IUSLHFBKZVHPFR-UHFFFAOYSA-N 1 2 410.518 2.937 50 0 HFAALO COc1ccccc1NC(=O)Nc1nc(CC(=O)NCCCn2cc[nH+]c2)cs1 ZINC000009649936 571276685 /nfs/dbraw/zinc/27/66/85/571276685.db2.gz CMXJZMXHYNYGJZ-UHFFFAOYSA-N 1 2 414.491 2.741 50 0 HFAALO O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000006586857 132311894 /nfs/dbraw/zinc/31/18/94/132311894.db2.gz NKVMZFYBUKMGHC-GOSISDBHSA-N 1 2 412.921 2.936 50 0 HFAALO O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007533519 132324856 /nfs/dbraw/zinc/32/48/56/132324856.db2.gz RDDZELGTUODIFQ-UHFFFAOYSA-N 1 2 421.530 2.511 50 0 HFAALO O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008185198 132328359 /nfs/dbraw/zinc/32/83/59/132328359.db2.gz GEPXUTDGUNEXDG-IBGZPJMESA-N 1 2 400.482 2.937 50 0 HFAALO C[N@H+](CC(=O)N1CCN(c2ccccc2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000008746952 132333075 /nfs/dbraw/zinc/33/30/75/132333075.db2.gz PGSAXBZJTWBPGK-UHFFFAOYSA-N 1 2 403.530 2.712 50 0 HFAALO C[N@@H+](CC(=O)N1CCN(c2ccccc2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000008746952 132333078 /nfs/dbraw/zinc/33/30/78/132333078.db2.gz PGSAXBZJTWBPGK-UHFFFAOYSA-N 1 2 403.530 2.712 50 0 HFAALO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012553684 132363260 /nfs/dbraw/zinc/36/32/60/132363260.db2.gz OZAJZHFXGDQTLI-FQEVSTJZSA-N 1 2 410.537 2.681 50 0 HFAALO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000012562580 132364058 /nfs/dbraw/zinc/36/40/58/132364058.db2.gz BLDSBGKIDMBKAR-GOSISDBHSA-N 1 2 412.509 2.742 50 0 HFAALO Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000012586977 132364494 /nfs/dbraw/zinc/36/44/94/132364494.db2.gz QEYFVDQXMKSQFZ-HXUWFJFHSA-N 1 2 421.545 2.766 50 0 HFAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000012783896 132367179 /nfs/dbraw/zinc/36/71/79/132367179.db2.gz YJZYHBKAIVITLI-UHFFFAOYSA-N 1 2 402.303 2.704 50 0 HFAALO CCN(C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1C ZINC000032865335 519911451 /nfs/dbraw/zinc/91/14/51/519911451.db2.gz DPYUHOAXHPHVEP-UHFFFAOYSA-N 1 2 421.588 2.852 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1C ZINC000032541803 520512608 /nfs/dbraw/zinc/51/26/08/520512608.db2.gz FZJOWZQIOQCURN-PBHICJAKSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1C ZINC000032541803 520512616 /nfs/dbraw/zinc/51/26/16/520512616.db2.gz FZJOWZQIOQCURN-PBHICJAKSA-N 1 2 415.490 2.503 50 0 HFAALO CCCS(=O)(=O)NC1CC[NH+](Cn2cc(-c3ccccc3)n(C)c2=S)CC1 ZINC000032932604 520529654 /nfs/dbraw/zinc/52/96/54/520529654.db2.gz TZGWLQMBUDYBSM-UHFFFAOYSA-N 1 2 408.593 2.974 50 0 HFAALO COc1cc(/C=C/C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc(OC)c1 ZINC000032901506 521929174 /nfs/dbraw/zinc/92/91/74/521929174.db2.gz QCNMMZZDVYNVJU-CMDGGOBGSA-N 1 2 423.513 2.936 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc(OC)c1 ZINC000043135978 522382321 /nfs/dbraw/zinc/38/23/21/522382321.db2.gz XMIMJNPQKLLHEE-OAQYLSRUSA-N 1 2 416.566 2.694 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc(OC)c1 ZINC000043135978 522382330 /nfs/dbraw/zinc/38/23/30/522382330.db2.gz XMIMJNPQKLLHEE-OAQYLSRUSA-N 1 2 416.566 2.694 50 0 HFAALO COC(=O)c1sc(Cl)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044890078 522420913 /nfs/dbraw/zinc/42/09/13/522420913.db2.gz RTVSMAAWJRSZOJ-UHFFFAOYSA-N 1 2 414.936 2.695 50 0 HFAALO C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000020548062 525935164 /nfs/dbraw/zinc/93/51/64/525935164.db2.gz RUNJEDIDWGMGLU-QGZVFWFLSA-N 1 2 422.481 2.676 50 0 biogenic HFAALO CSc1nccn1-c1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000044486861 526223740 /nfs/dbraw/zinc/22/37/40/526223740.db2.gz JQXATYGLBUDGSP-UHFFFAOYSA-N 1 2 409.515 2.756 50 0 HFAALO O=C(NCCCc1nc2ccccc2[nH]1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032809208 526281875 /nfs/dbraw/zinc/28/18/75/526281875.db2.gz LKJXZGVZPKVDLD-NRFANRHFSA-N 1 2 407.518 2.868 50 0 HFAALO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020555699 526969703 /nfs/dbraw/zinc/96/97/03/526969703.db2.gz NEMHCIKQTSJLDP-UHFFFAOYSA-N 1 2 408.502 2.991 50 0 HFAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1cc(F)c(F)c(F)c1 ZINC000044891978 527002526 /nfs/dbraw/zinc/00/25/26/527002526.db2.gz CHLAJNHLODJGMY-UHFFFAOYSA-N 1 2 414.405 2.623 50 0 HFAALO O=C(Cn1cnc2c3ccccc3oc2c1=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860056 527400483 /nfs/dbraw/zinc/40/04/83/527400483.db2.gz VUNPQPINDFKBEV-UHFFFAOYSA-N 1 2 413.437 2.704 50 0 HFAALO CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000001249454 536025408 /nfs/dbraw/zinc/02/54/08/536025408.db2.gz YKNGEHLYNVDDNR-UHFFFAOYSA-N 1 2 400.498 2.538 50 0 HFAALO CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000034675412 557363636 /nfs/dbraw/zinc/36/36/36/557363636.db2.gz IFCFINNLOLAPOF-UHFFFAOYSA-N 1 2 423.557 2.929 50 0 HFAALO Cc1cc(C)c(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)c(C)c1 ZINC000009526721 557550452 /nfs/dbraw/zinc/55/04/52/557550452.db2.gz UZOUIJDBRRQJGW-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 HFAALO CCOC(=O)C1CC[NH+](Cc2cc(I)c(O)c(OC)c2)CC1 ZINC000004987583 557621605 /nfs/dbraw/zinc/62/16/05/557621605.db2.gz WALFCHXJMVQWKP-UHFFFAOYSA-N 1 2 419.259 2.781 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697180 557784067 /nfs/dbraw/zinc/78/40/67/557784067.db2.gz BCUGMHMJCIGUMB-FQEVSTJZSA-N 1 2 417.481 2.885 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H](c2cccs2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697565 557784322 /nfs/dbraw/zinc/78/43/22/557784322.db2.gz REMCURTZLYVUFF-SFHVURJKSA-N 1 2 405.520 2.807 50 0 HFAALO CC[NH+]1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1 ZINC000022767593 557815262 /nfs/dbraw/zinc/81/52/62/557815262.db2.gz QKMRMNOOSMWUOD-UHFFFAOYSA-N 1 2 411.527 2.638 50 0 HFAALO COc1cc(C)c(CN2CC[NH+](Cc3cc(=O)n4c(C)cccc4n3)CC2)cc1OC ZINC000022783030 557819656 /nfs/dbraw/zinc/81/96/56/557819656.db2.gz XMHQZPMGOBGLSD-UHFFFAOYSA-N 1 2 422.529 2.646 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[NH+]1CCC(O)CC1)S2 ZINC000022855226 557842551 /nfs/dbraw/zinc/84/25/51/557842551.db2.gz DEBXJJUNZHHCHI-KRWDZBQOSA-N 1 2 418.519 2.622 50 0 HFAALO CS(=O)(=O)N(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)c1ccccc1 ZINC000009668802 557848048 /nfs/dbraw/zinc/84/80/48/557848048.db2.gz XCWAFUJNHOPLAY-UHFFFAOYSA-N 1 2 412.515 2.669 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000022906648 557852522 /nfs/dbraw/zinc/85/25/22/557852522.db2.gz VHXXRSIXUBIBAI-HSZRJFAPSA-N 1 2 414.509 2.614 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000022906648 557852526 /nfs/dbraw/zinc/85/25/26/557852526.db2.gz VHXXRSIXUBIBAI-HSZRJFAPSA-N 1 2 414.509 2.614 50 0 HFAALO COc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000010313211 557859093 /nfs/dbraw/zinc/85/90/93/557859093.db2.gz JJHRZEQENQRULH-UHFFFAOYSA-N 1 2 408.458 2.973 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3c(OC)cccc3OC)CC2)cc1OC ZINC000019773737 558280625 /nfs/dbraw/zinc/28/06/25/558280625.db2.gz SFSXXQBABAJQSJ-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1ccc(OC)c(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019841024 558293964 /nfs/dbraw/zinc/29/39/64/558293964.db2.gz GNSJGDDYAYURLS-UHFFFAOYSA-N 1 2 415.515 2.947 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C ZINC000020166318 558342919 /nfs/dbraw/zinc/34/29/19/558342919.db2.gz CYRJBFFIKVNUNV-SFHVURJKSA-N 1 2 404.580 2.595 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1C ZINC000020166318 558342922 /nfs/dbraw/zinc/34/29/22/558342922.db2.gz CYRJBFFIKVNUNV-SFHVURJKSA-N 1 2 404.580 2.595 50 0 HFAALO Cc1ccc(C[N@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)cc1C ZINC000012191355 558347545 /nfs/dbraw/zinc/34/75/45/558347545.db2.gz WTBMVBFSFJRGEM-UHFFFAOYSA-N 1 2 400.544 2.812 50 0 HFAALO Cc1ccc(C[N@@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)cc1C ZINC000012191355 558347547 /nfs/dbraw/zinc/34/75/47/558347547.db2.gz WTBMVBFSFJRGEM-UHFFFAOYSA-N 1 2 400.544 2.812 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCN(c3ccccc3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020283970 558353681 /nfs/dbraw/zinc/35/36/81/558353681.db2.gz LKEWSKKVWDIGFR-QFIPXVFZSA-N 1 2 420.513 2.680 50 0 HFAALO CCN1CC[NH+](C2(C(=O)NCCc3cccc(OC)c3)Cc3ccccc3C2)CC1 ZINC000020321400 558355311 /nfs/dbraw/zinc/35/53/11/558355311.db2.gz RSUCWQKQCJKFBS-UHFFFAOYSA-N 1 2 407.558 2.529 50 0 HFAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)Nc4ccccc4F)CC3)cc(=O)oc2c1 ZINC000020407870 558360588 /nfs/dbraw/zinc/36/05/88/558360588.db2.gz DRMFDXZQYWRAKM-UHFFFAOYSA-N 1 2 409.461 2.997 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+](C)CCC2CCOCC2)n1Cc1ccccc1 ZINC000012301285 558371002 /nfs/dbraw/zinc/37/10/02/558371002.db2.gz FFOPHEHBEDSHLW-UHFFFAOYSA-N 1 2 405.564 2.974 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+](C)CCC2CCOCC2)n1Cc1ccccc1 ZINC000012301285 558371004 /nfs/dbraw/zinc/37/10/04/558371004.db2.gz FFOPHEHBEDSHLW-UHFFFAOYSA-N 1 2 405.564 2.974 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000012307230 558375854 /nfs/dbraw/zinc/37/58/54/558375854.db2.gz PMDGMXVXLUPTJH-MRXNPFEDSA-N 1 2 406.552 2.732 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000012307230 558375857 /nfs/dbraw/zinc/37/58/57/558375857.db2.gz PMDGMXVXLUPTJH-MRXNPFEDSA-N 1 2 406.552 2.732 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1c(F)ccc(F)c1F)CC2 ZINC000020911435 558422017 /nfs/dbraw/zinc/42/20/17/558422017.db2.gz AXUQMBDDHFNTNU-GFCCVEGCSA-N 1 2 419.407 2.838 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1c(F)ccc(F)c1F)CC2 ZINC000020911435 558422021 /nfs/dbraw/zinc/42/20/21/558422021.db2.gz AXUQMBDDHFNTNU-GFCCVEGCSA-N 1 2 419.407 2.838 50 0 HFAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1c(F)ccc(F)c1F)CC2 ZINC000020911438 558422107 /nfs/dbraw/zinc/42/21/07/558422107.db2.gz AXUQMBDDHFNTNU-LBPRGKRZSA-N 1 2 419.407 2.838 50 0 HFAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1c(F)ccc(F)c1F)CC2 ZINC000020911438 558422110 /nfs/dbraw/zinc/42/21/10/558422110.db2.gz AXUQMBDDHFNTNU-LBPRGKRZSA-N 1 2 419.407 2.838 50 0 HFAALO CC[N@@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000012798038 558470227 /nfs/dbraw/zinc/47/02/27/558470227.db2.gz LLGDKTZKJNVGJP-OAHLLOKOSA-N 1 2 409.442 2.784 50 0 HFAALO CC[N@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000012798038 558470228 /nfs/dbraw/zinc/47/02/28/558470228.db2.gz LLGDKTZKJNVGJP-OAHLLOKOSA-N 1 2 409.442 2.784 50 0 HFAALO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000013061640 558509991 /nfs/dbraw/zinc/50/99/91/558509991.db2.gz GUXHPZXLMVRRNN-NYHFZMIOSA-N 1 2 401.507 2.984 50 0 HFAALO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000013061640 558509992 /nfs/dbraw/zinc/50/99/92/558509992.db2.gz GUXHPZXLMVRRNN-NYHFZMIOSA-N 1 2 401.507 2.984 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3F)CC2)cc1OC ZINC000022785203 558510825 /nfs/dbraw/zinc/51/08/25/558510825.db2.gz KYBZTJRQCCGRQM-INIZCTEOSA-N 1 2 401.482 2.988 50 0 HFAALO C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000022787549 558511303 /nfs/dbraw/zinc/51/13/03/558511303.db2.gz DSIONBDXTVYWLS-KRWDZBQOSA-N 1 2 413.493 2.592 50 0 HFAALO COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000013098107 558513868 /nfs/dbraw/zinc/51/38/68/558513868.db2.gz XQNOCYCTKPSWOJ-XMMPIXPASA-N 1 2 420.513 2.558 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000022914920 558521100 /nfs/dbraw/zinc/52/11/00/558521100.db2.gz OUXWVQGVHAVRIP-UXHICEINSA-N 1 2 408.546 2.817 50 0 HFAALO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000023105721 558534329 /nfs/dbraw/zinc/53/43/29/558534329.db2.gz YRCLPYFDMHMQNG-IBGZPJMESA-N 1 2 414.502 2.824 50 0 HFAALO Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000023254083 558546056 /nfs/dbraw/zinc/54/60/56/558546056.db2.gz HCWJUXWZRQRVRX-UHFFFAOYSA-N 1 2 414.575 2.580 50 0 HFAALO O=C(C[NH+]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1)N1CCCC1 ZINC000023295110 558548110 /nfs/dbraw/zinc/54/81/10/558548110.db2.gz LEDYTHYXRAYPGF-UHFFFAOYSA-N 1 2 405.542 2.975 50 0 HFAALO COc1ccc(-n2cc(C[NH+]3CCN(CCO)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000023358040 558551439 /nfs/dbraw/zinc/55/14/39/558551439.db2.gz JAAVKHAVUWIKEM-UHFFFAOYSA-N 1 2 410.493 2.797 50 0 HFAALO O=C(Cc1cn2ccsc2n1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000023642466 558564506 /nfs/dbraw/zinc/56/45/06/558564506.db2.gz VIAIHVMAILQURX-UHFFFAOYSA-N 1 2 404.923 2.815 50 0 HFAALO O=C(c1cncn1-c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024013858 558584737 /nfs/dbraw/zinc/58/47/37/558584737.db2.gz JHCUWBKIMFNATD-UHFFFAOYSA-N 1 2 406.461 2.904 50 0 HFAALO CC[C@H](c1nnc(SCC(=O)N2CCCC2=O)n1Cc1ccccc1)[NH+](C)C ZINC000004494490 558610244 /nfs/dbraw/zinc/61/02/44/558610244.db2.gz PMUSRCFHZULQSO-MRXNPFEDSA-N 1 2 401.536 2.580 50 0 HFAALO O=C(c1cccc(CN2CCCC2=O)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000014139622 558624893 /nfs/dbraw/zinc/62/48/93/558624893.db2.gz WNFKFGRCKSFOFQ-UHFFFAOYSA-N 1 2 407.514 2.646 50 0 HFAALO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[NH+](CCO)CC2)c(C)c1 ZINC000025637816 558646403 /nfs/dbraw/zinc/64/64/03/558646403.db2.gz DDWMOQIYMXYBAW-UHFFFAOYSA-N 1 2 404.514 2.906 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000025760701 558649219 /nfs/dbraw/zinc/64/92/19/558649219.db2.gz ZBJLHRXUONRIOQ-UHFFFAOYSA-N 1 2 423.513 2.818 50 0 HFAALO COc1ccccc1C(=O)CSc1nnc(NCCC[NH+]2CCOCC2)s1 ZINC000025784751 558650385 /nfs/dbraw/zinc/65/03/85/558650385.db2.gz XJQYZFZDSMKHDE-UHFFFAOYSA-N 1 2 408.549 2.656 50 0 HFAALO O=C(CCNC(=O)c1ccsc1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000026082081 558654944 /nfs/dbraw/zinc/65/49/44/558654944.db2.gz LUTPVBYEUCDDSF-UHFFFAOYSA-N 1 2 421.950 2.745 50 0 HFAALO Cc1[nH]c(CN2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)c[nH+]1 ZINC000014533120 558656848 /nfs/dbraw/zinc/65/68/48/558656848.db2.gz MICMLQMRLZJJAY-JOCHJYFZSA-N 1 2 405.502 2.543 50 0 HFAALO Cc1[nH]cc(CN2CC(=O)N(Cc3cccnc3)C[C@H](OCc3ccccc3)C2)[nH+]1 ZINC000014533120 558656852 /nfs/dbraw/zinc/65/68/52/558656852.db2.gz MICMLQMRLZJJAY-JOCHJYFZSA-N 1 2 405.502 2.543 50 0 HFAALO COc1cc(CO[C@@H]2CN(C(C)C)C(=O)C[N@H+](Cc3cccnc3)C2)cc(OC)c1 ZINC000014534565 558657636 /nfs/dbraw/zinc/65/76/36/558657636.db2.gz RWXLXRDMZUGCCR-QFIPXVFZSA-N 1 2 413.518 2.737 50 0 HFAALO COc1cc(CO[C@@H]2CN(C(C)C)C(=O)C[N@@H+](Cc3cccnc3)C2)cc(OC)c1 ZINC000014534565 558657639 /nfs/dbraw/zinc/65/76/39/558657639.db2.gz RWXLXRDMZUGCCR-QFIPXVFZSA-N 1 2 413.518 2.737 50 0 HFAALO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000027377723 558672726 /nfs/dbraw/zinc/67/27/26/558672726.db2.gz GDJXFTCITNMPKH-LJQANCHMSA-N 1 2 400.567 2.767 50 0 HFAALO O=C(NCCc1cccs1)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237197 558673639 /nfs/dbraw/zinc/67/36/39/558673639.db2.gz LYJKMEOGABDTMN-UHFFFAOYSA-N 1 2 417.604 2.667 50 0 HFAALO O=C(NCCc1cccs1)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237197 558673641 /nfs/dbraw/zinc/67/36/41/558673641.db2.gz LYJKMEOGABDTMN-UHFFFAOYSA-N 1 2 417.604 2.667 50 0 HFAALO CSc1nc(C)c(CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c(=O)[nH]1 ZINC000029045550 558708713 /nfs/dbraw/zinc/70/87/13/558708713.db2.gz VTUOLBXSOROXII-INIZCTEOSA-N 1 2 408.955 2.805 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCC[C@@H](CCCO)C2)n1CCc1ccccc1 ZINC000015073718 558714458 /nfs/dbraw/zinc/71/44/58/558714458.db2.gz KGDJZIMRQKDHPX-FQEVSTJZSA-N 1 2 419.591 2.904 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCC[C@@H](CCCO)C2)n1CCc1ccccc1 ZINC000015073718 558714461 /nfs/dbraw/zinc/71/44/61/558714461.db2.gz KGDJZIMRQKDHPX-FQEVSTJZSA-N 1 2 419.591 2.904 50 0 HFAALO NC(=O)c1ccsc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000015088300 558720952 /nfs/dbraw/zinc/72/09/52/558720952.db2.gz HNOPPTIRQADFAK-UHFFFAOYSA-N 1 2 410.484 2.707 50 0 HFAALO O=S(=O)(NC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1)c1ccc(F)cc1 ZINC000029935488 558724251 /nfs/dbraw/zinc/72/42/51/558724251.db2.gz XLSUKFFIHLZDBT-UHFFFAOYSA-N 1 2 422.507 2.880 50 0 HFAALO CC(C)[C@@H](CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)[NH+](C)C ZINC000030604204 558733941 /nfs/dbraw/zinc/73/39/41/558733941.db2.gz PRNDDDIPGAJCNM-QGZVFWFLSA-N 1 2 409.577 2.794 50 0 HFAALO CCc1cccc(C)c1-n1nnnc1[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000015414902 558739186 /nfs/dbraw/zinc/73/91/86/558739186.db2.gz YYMYDZIGDHYPCA-IBGZPJMESA-N 1 2 407.474 2.848 50 0 biogenic HFAALO CCc1cccc(C)c1-n1nnnc1[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000015414902 558739188 /nfs/dbraw/zinc/73/91/88/558739188.db2.gz YYMYDZIGDHYPCA-IBGZPJMESA-N 1 2 407.474 2.848 50 0 biogenic HFAALO O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000015859971 558757570 /nfs/dbraw/zinc/75/75/70/558757570.db2.gz SGSCMBNZKUEDAL-UHFFFAOYSA-N 1 2 420.469 2.508 50 0 HFAALO C[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000072308854 558772004 /nfs/dbraw/zinc/77/20/04/558772004.db2.gz BJHKUTASXFAQFD-OAQYLSRUSA-N 1 2 400.544 2.596 50 0 HFAALO C[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CCS(=O)(=O)CC1 ZINC000072308854 558772008 /nfs/dbraw/zinc/77/20/08/558772008.db2.gz BJHKUTASXFAQFD-OAQYLSRUSA-N 1 2 400.544 2.596 50 0 HFAALO COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000072311590 558787956 /nfs/dbraw/zinc/78/79/56/558787956.db2.gz LVBXENYOQVJMTB-BDJLRTHQSA-N 1 2 419.279 2.588 50 0 HFAALO Cc1ccc(-c2csc3nc(SCC[NH+]4CCOCC4)n(N)c(=O)c23)cc1 ZINC000036646116 558800741 /nfs/dbraw/zinc/80/07/41/558800741.db2.gz HRJNCBOYOIPGCI-UHFFFAOYSA-N 1 2 402.545 2.572 50 0 HFAALO O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000032987861 558807773 /nfs/dbraw/zinc/80/77/73/558807773.db2.gz SCXYKPMBDLDUMK-INIZCTEOSA-N 1 2 422.938 2.805 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3ccccc3OC)C[C@H]2CCO)cc(OC)c1 ZINC000039430506 558821127 /nfs/dbraw/zinc/82/11/27/558821127.db2.gz XDCHINXGTFVOLA-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3ccccc3OC)C[C@H]2CCO)cc(OC)c1 ZINC000039430506 558821129 /nfs/dbraw/zinc/82/11/29/558821129.db2.gz XDCHINXGTFVOLA-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO CC[N@H+](CCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000004591421 558829284 /nfs/dbraw/zinc/82/92/84/558829284.db2.gz XVFCDWMEBDOLJL-UHFFFAOYSA-N 1 2 408.502 2.503 50 0 HFAALO CC[N@@H+](CCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 ZINC000004591421 558829285 /nfs/dbraw/zinc/82/92/85/558829285.db2.gz XVFCDWMEBDOLJL-UHFFFAOYSA-N 1 2 408.502 2.503 50 0 HFAALO COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000018265551 558835106 /nfs/dbraw/zinc/83/51/06/558835106.db2.gz ADVNQDACVRUXPK-IBGZPJMESA-N 1 2 414.889 2.964 50 0 HFAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)c2c1 ZINC000033088052 558869897 /nfs/dbraw/zinc/86/98/97/558869897.db2.gz ARKLZVJEMCSHBO-GOSISDBHSA-N 1 2 411.546 2.874 50 0 HFAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCC[C@H]4C)CC3)c2c1 ZINC000033088052 558869899 /nfs/dbraw/zinc/86/98/99/558869899.db2.gz ARKLZVJEMCSHBO-GOSISDBHSA-N 1 2 411.546 2.874 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccs1)NCCc1cccc2ccccc21 ZINC000055041911 558870387 /nfs/dbraw/zinc/87/03/87/558870387.db2.gz PNIASGHPYNDAGP-OAQYLSRUSA-N 1 2 407.539 2.951 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccs1)NCCc1cccc2ccccc21 ZINC000055041911 558870390 /nfs/dbraw/zinc/87/03/90/558870390.db2.gz PNIASGHPYNDAGP-OAQYLSRUSA-N 1 2 407.539 2.951 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(F)cc1 ZINC000010656619 558894565 /nfs/dbraw/zinc/89/45/65/558894565.db2.gz AEEMSDYKDYYMQA-GOSISDBHSA-N 1 2 413.478 2.591 50 0 HFAALO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019536496 558913982 /nfs/dbraw/zinc/91/39/82/558913982.db2.gz WLFHIKOIDJPYLC-UHFFFAOYSA-N 1 2 400.475 2.759 50 0 HFAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019536496 558913984 /nfs/dbraw/zinc/91/39/84/558913984.db2.gz WLFHIKOIDJPYLC-UHFFFAOYSA-N 1 2 400.475 2.759 50 0 HFAALO O=C(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000072401891 558937030 /nfs/dbraw/zinc/93/70/30/558937030.db2.gz WNDQXLKAGFTNCT-UHFFFAOYSA-N 1 2 417.513 2.577 50 0 HFAALO O=C(Cn1nc(-c2cccs2)ccc1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000061721108 558946646 /nfs/dbraw/zinc/94/66/46/558946646.db2.gz KMMBFPRZLHNMIF-XBXARRHUSA-N 1 2 420.538 2.829 50 0 HFAALO COc1cccc2cc(C(=O)N3CC[NH+](CCOc4ccc(C)cc4)CC3)c(=O)oc21 ZINC000019620013 558947037 /nfs/dbraw/zinc/94/70/37/558947037.db2.gz IHMJIYRYWCYVNW-UHFFFAOYSA-N 1 2 422.481 2.947 50 0 HFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000065365208 558976145 /nfs/dbraw/zinc/97/61/45/558976145.db2.gz ZDJUIESDTLLQLJ-UHFFFAOYSA-N 1 2 416.407 2.952 50 0 HFAALO COc1cccc(NC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)c1 ZINC000072437795 558981279 /nfs/dbraw/zinc/98/12/79/558981279.db2.gz NEOBFGKUENWYKX-UHFFFAOYSA-N 1 2 407.478 2.642 50 0 HFAALO Cc1ccc(S(=O)(=O)N(Cc2ccccc2C)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996755 558982275 /nfs/dbraw/zinc/98/22/75/558982275.db2.gz PTICVIAFUVINPY-UHFFFAOYSA-N 1 2 401.532 2.862 50 0 HFAALO Cc1ccc(CN(C(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022996771 558982291 /nfs/dbraw/zinc/98/22/91/558982291.db2.gz KSWCWCIVUJRFHM-UHFFFAOYSA-N 1 2 401.532 2.862 50 0 HFAALO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000022025271 558985047 /nfs/dbraw/zinc/98/50/47/558985047.db2.gz NBESLJFJBJGJFW-INIZCTEOSA-N 1 2 415.921 2.891 50 0 HFAALO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022025271 558985048 /nfs/dbraw/zinc/98/50/48/558985048.db2.gz NBESLJFJBJGJFW-INIZCTEOSA-N 1 2 415.921 2.891 50 0 HFAALO CN(Cc1c[nH+]c2ccccn12)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000067726714 558991864 /nfs/dbraw/zinc/99/18/64/558991864.db2.gz SIWNVMFGHXOREW-SFHVURJKSA-N 1 2 408.477 2.913 50 0 HFAALO C[C@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000097164327 558998282 /nfs/dbraw/zinc/99/82/82/558998282.db2.gz MZMKVTGMDFQKBJ-PMACEKPBSA-N 1 2 420.642 2.963 50 0 HFAALO C[C@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H](C)[NH+]1CC(=O)N(C)C1CCCCC1 ZINC000097164327 558998284 /nfs/dbraw/zinc/99/82/84/558998284.db2.gz MZMKVTGMDFQKBJ-PMACEKPBSA-N 1 2 420.642 2.963 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023107641 559010684 /nfs/dbraw/zinc/01/06/84/559010684.db2.gz MMKDPCHQOUVQCJ-OAQYLSRUSA-N 1 2 423.538 2.707 50 0 HFAALO Cn1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cc(F)cc3F)s2)n1 ZINC000023128156 559016448 /nfs/dbraw/zinc/01/64/48/559016448.db2.gz NYOMJRNOUYTTBJ-UHFFFAOYSA-N 1 2 421.473 2.677 50 0 HFAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000023157284 559022231 /nfs/dbraw/zinc/02/22/31/559022231.db2.gz JIYCKLDLJJHVFE-MRXNPFEDSA-N 1 2 416.503 2.742 50 0 HFAALO CC(C)[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000013988088 559130541 /nfs/dbraw/zinc/13/05/41/559130541.db2.gz IRZKOOHWHGZHOF-XMMPIXPASA-N 1 2 424.545 2.878 50 0 HFAALO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000100937746 559142093 /nfs/dbraw/zinc/14/20/93/559142093.db2.gz HNIVCONXPLZXGL-YADHBBJMSA-N 1 2 406.486 2.743 50 0 HFAALO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000014670885 559172018 /nfs/dbraw/zinc/17/20/18/559172018.db2.gz BHJABYVSYLGIST-CYBMUJFWSA-N 1 2 402.476 2.586 50 0 HFAALO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000014670885 559172020 /nfs/dbraw/zinc/17/20/20/559172020.db2.gz BHJABYVSYLGIST-CYBMUJFWSA-N 1 2 402.476 2.586 50 0 HFAALO COc1cccc(OCC(=O)N2CCN(c3[nH+]ccn3-c3ccc(C)cc3)CC2)c1 ZINC000011695659 559188825 /nfs/dbraw/zinc/18/88/25/559188825.db2.gz NFELVJQYRCYWIW-UHFFFAOYSA-N 1 2 406.486 2.917 50 0 HFAALO COc1ccc(OCC(=O)N2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)cc1 ZINC000011695694 559188964 /nfs/dbraw/zinc/18/89/64/559188964.db2.gz JSLJYLOEAKZBHL-UHFFFAOYSA-N 1 2 410.449 2.748 50 0 HFAALO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)OC)CC1 ZINC000004859753 559192752 /nfs/dbraw/zinc/19/27/52/559192752.db2.gz OPHCXSFZVWZSPX-CQSZACIVSA-N 1 2 415.490 2.865 50 0 HFAALO O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000408525082 559215444 /nfs/dbraw/zinc/21/54/44/559215444.db2.gz KDWAZGUBTBHGEK-UHFFFAOYSA-N 1 2 411.487 2.625 50 0 HFAALO Cn1c2nc3n(c2c(=O)n(C)c1=O)CC(C(C)(C)C)=[NH+]N3Cc1cccc(Cl)c1 ZINC000005148142 559253017 /nfs/dbraw/zinc/25/30/17/559253017.db2.gz VHLPMJILNSJHLF-UHFFFAOYSA-N 1 2 414.897 2.509 50 0 HFAALO O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022873 560567529 /nfs/dbraw/zinc/56/75/29/560567529.db2.gz KWRGOHPNXDTYPE-CQSZACIVSA-N 1 2 409.519 2.853 50 0 HFAALO COc1cccc(C(=O)N2CC[NH+](CCNc3cc(=O)oc4ccccc34)CC2)c1 ZINC000101660108 560798039 /nfs/dbraw/zinc/79/80/39/560798039.db2.gz AFWGTNIOAZQHFG-UHFFFAOYSA-N 1 2 407.470 2.672 50 0 HFAALO CN(C)C(=O)COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000048333073 568439442 /nfs/dbraw/zinc/43/94/42/568439442.db2.gz PWEGYOSPVSVYAP-OAQYLSRUSA-N 1 2 413.543 2.882 50 0 HFAALO Cc1ccccc1OCCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000048333531 568439636 /nfs/dbraw/zinc/43/96/36/568439636.db2.gz MWQVTIUSRDUDHX-HXUWFJFHSA-N 1 2 401.551 2.699 50 0 HFAALO Cn1c(CN2CC[NH+](CC(=O)NCc3ccccc3Cl)CC2)nc2ccccc21 ZINC000049372156 568447270 /nfs/dbraw/zinc/44/72/70/568447270.db2.gz IHDIIKZZCURGQF-UHFFFAOYSA-N 1 2 411.937 2.661 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1OC ZINC000049547206 568451494 /nfs/dbraw/zinc/45/14/94/568451494.db2.gz IYCDARYABIARPI-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccccc1OC ZINC000049547206 568451495 /nfs/dbraw/zinc/45/14/95/568451495.db2.gz IYCDARYABIARPI-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000218498279 568481158 /nfs/dbraw/zinc/48/11/58/568481158.db2.gz RSCFZXWHPJDZQA-PZJWPPBQSA-N 1 2 420.513 2.897 50 0 HFAALO COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000020287513 568597160 /nfs/dbraw/zinc/59/71/60/568597160.db2.gz JPDCAKCGIOMDGP-LIRRHRJNSA-N 1 2 420.531 2.966 50 0 HFAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000095401233 568605055 /nfs/dbraw/zinc/60/50/55/568605055.db2.gz LDIJXQLOHJERGP-SFHVURJKSA-N 1 2 420.985 2.996 50 0 HFAALO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCC[NH+]3CCOCC3)c(C)c12 ZINC000020436440 568607246 /nfs/dbraw/zinc/60/72/46/568607246.db2.gz FIGJVXQFWDIQRB-UHFFFAOYSA-N 1 2 421.545 2.727 50 0 HFAALO CC(C)C[C@H](C(=O)N1CC[NH+](CCc2ccccn2)CC1)N1Cc2ccccc2C1=O ZINC000095476342 568630324 /nfs/dbraw/zinc/63/03/24/568630324.db2.gz PBXBYDVZBFLPBN-HSZRJFAPSA-N 1 2 420.557 2.839 50 0 HFAALO Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000095482522 568634685 /nfs/dbraw/zinc/63/46/85/568634685.db2.gz NSBGWBFCIPIQHW-UHFFFAOYSA-N 1 2 405.564 2.551 50 0 HFAALO Cc1ccc(Br)c(CC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000225414711 568635518 /nfs/dbraw/zinc/63/55/18/568635518.db2.gz DFAJZVFWKMXCGG-OAHLLOKOSA-N 1 2 403.324 2.995 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)cc1)N1CC[NH+](CC)CC1)S2 ZINC000022578133 568770254 /nfs/dbraw/zinc/77/02/54/568770254.db2.gz UMRVLEMXRKIHRV-KRWDZBQOSA-N 1 2 401.536 2.794 50 0 HFAALO Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000056997866 568822962 /nfs/dbraw/zinc/82/29/62/568822962.db2.gz QDKLDEUJDWZBOJ-UHFFFAOYSA-N 1 2 418.900 2.664 50 0 HFAALO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000057432350 568836657 /nfs/dbraw/zinc/83/66/57/568836657.db2.gz SHNVJMCDSPXUIF-LJQANCHMSA-N 1 2 424.545 2.611 50 0 HFAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000057432352 568836702 /nfs/dbraw/zinc/83/67/02/568836702.db2.gz SHNVJMCDSPXUIF-IBGZPJMESA-N 1 2 424.545 2.611 50 0 HFAALO CC[NH+](CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1 ZINC000012517470 568840761 /nfs/dbraw/zinc/84/07/61/568840761.db2.gz DBEFCDQIUGHBTQ-IBGZPJMESA-N 1 2 424.588 2.989 50 0 HFAALO CC(C)(C)c1[nH]c2ccc(NC(=O)CCn3c4ccccc4c(=O)[nH]c3=O)cc2[nH+]1 ZINC000012520577 568841329 /nfs/dbraw/zinc/84/13/29/568841329.db2.gz PSNDYGPIFNRYML-UHFFFAOYSA-N 1 2 405.458 2.892 50 0 HFAALO CC[NH+]1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2C)CC1 ZINC000003048200 568849416 /nfs/dbraw/zinc/84/94/16/568849416.db2.gz UQCONVWQXPDGBU-UHFFFAOYSA-N 1 2 419.547 2.694 50 0 HFAALO CCOc1ccccc1C(=O)NCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012544720 568849447 /nfs/dbraw/zinc/84/94/47/568849447.db2.gz IZBVKBFOZXRRFN-FQEVSTJZSA-N 1 2 410.449 2.594 50 0 HFAALO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000057672205 568857911 /nfs/dbraw/zinc/85/79/11/568857911.db2.gz HZMJPZCATOYTSO-KRWDZBQOSA-N 1 2 402.539 2.754 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000004127873 568915496 /nfs/dbraw/zinc/91/54/96/568915496.db2.gz TZNFGVJRQISOHK-NPPFBWRTSA-N 1 2 415.442 2.733 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000004127873 568915497 /nfs/dbraw/zinc/91/54/97/568915497.db2.gz TZNFGVJRQISOHK-NPPFBWRTSA-N 1 2 415.442 2.733 50 0 HFAALO O=C(CCn1cnc2ccccc2c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000031807311 568931704 /nfs/dbraw/zinc/93/17/04/568931704.db2.gz ZFJLQEPAPCERFE-RMKNXTFCSA-N 1 2 402.498 2.644 50 0 HFAALO Cc1ccccc1CNC(=O)CN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000084243948 568944767 /nfs/dbraw/zinc/94/47/67/568944767.db2.gz ZHSBVAPFCCVLSI-UHFFFAOYSA-N 1 2 403.530 2.615 50 0 HFAALO Cc1ccccc1CNC(=O)C[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000084243948 568944769 /nfs/dbraw/zinc/94/47/69/568944769.db2.gz ZHSBVAPFCCVLSI-UHFFFAOYSA-N 1 2 403.530 2.615 50 0 HFAALO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000008345509 568994527 /nfs/dbraw/zinc/99/45/27/568994527.db2.gz MMDSZUJJMKXERA-AEFFLSMTSA-N 1 2 415.563 2.639 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3[C@@H](C(=O)[C@@H]4OC[C@H]3O4)[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000038573698 569001850 /nfs/dbraw/zinc/00/18/50/569001850.db2.gz BWEZJYRDDFXJQK-UNBWSWHHSA-N 1 2 403.434 2.844 50 0 biogenic HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3[C@@H](C(=O)[C@@H]4OC[C@H]3O4)[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000038573698 569001851 /nfs/dbraw/zinc/00/18/51/569001851.db2.gz BWEZJYRDDFXJQK-UNBWSWHHSA-N 1 2 403.434 2.844 50 0 biogenic HFAALO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000012853939 569010838 /nfs/dbraw/zinc/01/08/38/569010838.db2.gz FYRQHODAXPCNME-IBGZPJMESA-N 1 2 415.559 2.569 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000012853939 569010839 /nfs/dbraw/zinc/01/08/39/569010839.db2.gz FYRQHODAXPCNME-IBGZPJMESA-N 1 2 415.559 2.569 50 0 HFAALO Cc1nc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2nc1C ZINC000012906426 569021318 /nfs/dbraw/zinc/02/13/18/569021318.db2.gz GIGKVDGMAQELPC-UHFFFAOYSA-N 1 2 404.470 2.933 50 0 HFAALO COc1ccc([C@H](NC(=O)C[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000035307546 569029999 /nfs/dbraw/zinc/02/99/99/569029999.db2.gz VMBPWXORPYUHMC-HSZRJFAPSA-N 1 2 417.513 2.513 50 0 HFAALO COc1ccc(C)cc1CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000035355892 569033537 /nfs/dbraw/zinc/03/35/37/569033537.db2.gz LVQOJDBEHDNZHZ-UHFFFAOYSA-N 1 2 407.561 2.627 50 0 HFAALO CCc1cccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)c1 ZINC000035430779 569036814 /nfs/dbraw/zinc/03/68/14/569036814.db2.gz AOZFVVVBXHJCNU-UHFFFAOYSA-N 1 2 408.477 2.738 50 0 biogenic HFAALO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000025326479 569047760 /nfs/dbraw/zinc/04/77/60/569047760.db2.gz XHXQGNDKZKWBCG-HKMNZKMDSA-N 1 2 403.482 2.529 50 0 HFAALO Cc1c(C(=O)C=C(O)C(=O)Nc2ccc(Cl)cc2)[n+](=O)c2ccccc2n1O ZINC000138309789 569053715 /nfs/dbraw/zinc/05/37/15/569053715.db2.gz QYLJQLZZBMPXBT-UHFFFAOYSA-O 1 2 400.798 2.536 50 0 HFAALO CC[C@H](C)CN1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024582 569077653 /nfs/dbraw/zinc/07/76/53/569077653.db2.gz LDBVFOZCGBGPJF-PXNSSMCTSA-N 1 2 421.607 2.978 50 0 HFAALO Cc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)NC[C@H]3CCCO3)C3CCCC3)CC2)c1 ZINC000036254110 569120173 /nfs/dbraw/zinc/12/01/73/569120173.db2.gz BGKJQSMHZYQUJE-YADHBBJMSA-N 1 2 413.562 2.607 50 0 HFAALO O=c1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)OCO3 ZINC000019370049 569124487 /nfs/dbraw/zinc/12/44/87/569124487.db2.gz QHZJHGOMXHBMGF-UHFFFAOYSA-N 1 2 422.437 2.568 50 0 biogenic HFAALO O=c1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)OCO3 ZINC000019370049 569124488 /nfs/dbraw/zinc/12/44/88/569124488.db2.gz QHZJHGOMXHBMGF-UHFFFAOYSA-N 1 2 422.437 2.568 50 0 biogenic HFAALO CCC(=O)N1CC[NH+]([C@H](C(=O)Nc2ccc(OC)c(OC)c2)C2CCCC2)CC1 ZINC000036311842 569132670 /nfs/dbraw/zinc/13/26/70/569132670.db2.gz YMIKCQRFKMJWGX-NRFANRHFSA-N 1 2 403.523 2.755 50 0 HFAALO CCN1CC[NH+](CCCNC(=O)c2nc(-c3oc4c(cccc4C)c3C)no2)CC1 ZINC000065010114 569153461 /nfs/dbraw/zinc/15/34/61/569153461.db2.gz QXNXABWAANNVIQ-UHFFFAOYSA-N 1 2 411.506 2.857 50 0 HFAALO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)c1 ZINC000036392061 569167397 /nfs/dbraw/zinc/16/73/97/569167397.db2.gz AEGFFPQBZPVYHQ-UXHICEINSA-N 1 2 400.567 2.649 50 0 HFAALO Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000036392058 569167399 /nfs/dbraw/zinc/16/73/99/569167399.db2.gz AEGFFPQBZPVYHQ-VQTJNVASSA-N 1 2 400.567 2.649 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000006881012 569167688 /nfs/dbraw/zinc/16/76/88/569167688.db2.gz TWOZISJJRVRICS-UHFFFAOYSA-N 1 2 409.939 2.969 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000006881012 569167689 /nfs/dbraw/zinc/16/76/89/569167689.db2.gz TWOZISJJRVRICS-UHFFFAOYSA-N 1 2 409.939 2.969 50 0 HFAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000006999836 569196784 /nfs/dbraw/zinc/19/67/84/569196784.db2.gz GPRSFUGWLLFEFQ-HXUWFJFHSA-N 1 2 415.563 2.982 50 0 HFAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000006999836 569196785 /nfs/dbraw/zinc/19/67/85/569196785.db2.gz GPRSFUGWLLFEFQ-HXUWFJFHSA-N 1 2 415.563 2.982 50 0 HFAALO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC(C(=O)OCC)CC3)C2)nc[nH+]1 ZINC000065245052 569204971 /nfs/dbraw/zinc/20/49/71/569204971.db2.gz GYIKZDIDHVKBGD-QGZVFWFLSA-N 1 2 417.554 2.707 50 0 HFAALO CCNc1cc(N2CCC[C@H](CCC(=O)N3CCC(C(=O)OCC)CC3)C2)[nH+]cn1 ZINC000065245052 569204972 /nfs/dbraw/zinc/20/49/72/569204972.db2.gz GYIKZDIDHVKBGD-QGZVFWFLSA-N 1 2 417.554 2.707 50 0 HFAALO O=S(=O)(c1cnn(C(F)F)c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000036614888 569206845 /nfs/dbraw/zinc/20/68/45/569206845.db2.gz RXIVNVRHSRFKHO-UHFFFAOYSA-N 1 2 406.458 2.938 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1cccc(Cl)c1)C2 ZINC000065265795 569212988 /nfs/dbraw/zinc/21/29/88/569212988.db2.gz GPJROBPIKIXXHY-JOCHJYFZSA-N 1 2 412.921 2.994 50 0 HFAALO CCOc1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NCCOC)cc1 ZINC000065265748 569212999 /nfs/dbraw/zinc/21/29/99/569212999.db2.gz JNYGEYSXJDTUQG-DEOSSOPVSA-N 1 2 422.529 2.739 50 0 HFAALO COCC1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000065274128 569214929 /nfs/dbraw/zinc/21/49/29/569214929.db2.gz MEMSYZACSGQQRP-UHFFFAOYSA-N 1 2 401.555 2.933 50 0 HFAALO COCC1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)CC1 ZINC000065274128 569214930 /nfs/dbraw/zinc/21/49/30/569214930.db2.gz MEMSYZACSGQQRP-UHFFFAOYSA-N 1 2 401.555 2.933 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)Nc1cccc(Br)c1 ZINC000065294989 569218648 /nfs/dbraw/zinc/21/86/48/569218648.db2.gz SSTIUXRNJDKMRS-UHFFFAOYSA-N 1 2 401.268 2.828 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000036700340 569222878 /nfs/dbraw/zinc/22/28/78/569222878.db2.gz CCVDFNZKTCAWMW-NRFANRHFSA-N 1 2 422.522 2.966 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000036700340 569222879 /nfs/dbraw/zinc/22/28/79/569222879.db2.gz CCVDFNZKTCAWMW-NRFANRHFSA-N 1 2 422.522 2.966 50 0 HFAALO CCOC(=O)c1c(C)oc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1C(N)=O ZINC000007443143 569239111 /nfs/dbraw/zinc/23/91/11/569239111.db2.gz OEUSMKHTGBZLII-LBPRGKRZSA-N 1 2 405.476 2.701 50 0 HFAALO CCOC(=O)c1c(C)oc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1C(N)=O ZINC000007443143 569239112 /nfs/dbraw/zinc/23/91/12/569239112.db2.gz OEUSMKHTGBZLII-LBPRGKRZSA-N 1 2 405.476 2.701 50 0 HFAALO C[NH+]1CCN([C@H](c2ccccc2OC(F)(F)F)C2Sc3ncnn3C2=O)CC1 ZINC000252497046 569387639 /nfs/dbraw/zinc/38/76/39/569387639.db2.gz PXXVXFXDYKMCFD-CYBMUJFWSA-N 1 2 413.425 2.732 50 0 HFAALO CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccc(S(=O)(=O)NC)cc3)cc2[nH+]1 ZINC000079047627 569425314 /nfs/dbraw/zinc/42/53/14/569425314.db2.gz ZXXHXKQOLMMQCW-UHFFFAOYSA-N 1 2 422.532 2.614 50 0 HFAALO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cn2)n1 ZINC000040121137 571177208 /nfs/dbraw/zinc/17/72/08/571177208.db2.gz SKKGPIGWEHHNSJ-OAQYLSRUSA-N 1 2 420.517 2.907 50 0 HFAALO Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cn2)n1 ZINC000040121137 571177209 /nfs/dbraw/zinc/17/72/09/571177209.db2.gz SKKGPIGWEHHNSJ-OAQYLSRUSA-N 1 2 420.517 2.907 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cccnc3N3CCCCC3)CC2)cc1 ZINC000040130626 571182636 /nfs/dbraw/zinc/18/26/36/571182636.db2.gz AGOCWQBUEAMHAF-UHFFFAOYSA-N 1 2 424.545 2.917 50 0 HFAALO CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCn1cc[nH+]c1 ZINC000009096243 571220969 /nfs/dbraw/zinc/22/09/69/571220969.db2.gz COYPJBODUMKQGI-UHFFFAOYSA-N 1 2 412.515 2.669 50 0 HFAALO COc1ccccc1CN1C(SCc2ccccc2)=[NH+][C@H]2CS(=O)(=O)C[C@@H]21 ZINC000009530807 571266864 /nfs/dbraw/zinc/26/68/64/571266864.db2.gz WTCPXCIOXJRJAN-ROUUACIJSA-N 1 2 402.541 2.966 50 0 HFAALO COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3[NH+]=C(C)NN32)cc1OCc1ccccc1 ZINC000010434299 571302743 /nfs/dbraw/zinc/30/27/43/571302743.db2.gz RUWVFWGMZGQHOJ-HXUWFJFHSA-N 1 2 405.458 2.683 50 0 HFAALO COc1ccccc1-c1cc(C(=O)N2CCC[N@H+](CCn3nc(C)cc3C)CC2)n[nH]1 ZINC000077100061 571311165 /nfs/dbraw/zinc/31/11/65/571311165.db2.gz ZAOAFQRPMIJGJU-UHFFFAOYSA-N 1 2 422.533 2.747 50 0 HFAALO COc1ccccc1-c1cc(C(=O)N2CCC[N@@H+](CCn3nc(C)cc3C)CC2)n[nH]1 ZINC000077100061 571311166 /nfs/dbraw/zinc/31/11/66/571311166.db2.gz ZAOAFQRPMIJGJU-UHFFFAOYSA-N 1 2 422.533 2.747 50 0 HFAALO Cc1cc(S(=O)(=O)N2CCN(CCn3cc[nH+]c3)CC2)c(Cl)cc1Cl ZINC000077099954 571311170 /nfs/dbraw/zinc/31/11/70/571311170.db2.gz LPCQVGCUEVXCHI-UHFFFAOYSA-N 1 2 403.335 2.505 50 0 HFAALO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000007007620 132322215 /nfs/dbraw/zinc/32/22/15/132322215.db2.gz VKNPZHMDOCVTNA-OAHLLOKOSA-N 1 2 422.451 2.936 50 0 HFAALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000007220387 132323011 /nfs/dbraw/zinc/32/30/11/132323011.db2.gz QXOXSHPHXBYZHS-QGZVFWFLSA-N 1 2 413.518 2.999 50 0 HFAALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000007220387 132323012 /nfs/dbraw/zinc/32/30/12/132323012.db2.gz QXOXSHPHXBYZHS-QGZVFWFLSA-N 1 2 413.518 2.999 50 0 HFAALO Cc1ccc(-c2cc(=O)[nH]c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000009698500 132342646 /nfs/dbraw/zinc/34/26/46/132342646.db2.gz SMLMAOAGEKEOSL-UHFFFAOYSA-N 1 2 404.470 2.796 50 0 HFAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000020541318 522276606 /nfs/dbraw/zinc/27/66/06/522276606.db2.gz OXEMGIRPHZJONS-UHFFFAOYSA-N 1 2 413.474 2.840 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 ZINC000020539815 522383268 /nfs/dbraw/zinc/38/32/68/522383268.db2.gz XMIMJNPQKLLHEE-NRFANRHFSA-N 1 2 416.566 2.694 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 ZINC000020539815 522383275 /nfs/dbraw/zinc/38/32/75/522383275.db2.gz XMIMJNPQKLLHEE-NRFANRHFSA-N 1 2 416.566 2.694 50 0 HFAALO COc1cc(OC)cc([C@@H](NC(=O)c2cnn3c2nc(C)cc3C)c2[nH+]ccn2C)c1 ZINC000032613658 522877132 /nfs/dbraw/zinc/87/71/32/522877132.db2.gz HVJMEJYHYYAGDS-LJQANCHMSA-N 1 2 420.473 2.616 50 0 HFAALO COc1ccccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1[nH+]ccn1C ZINC000032842385 524797218 /nfs/dbraw/zinc/79/72/18/524797218.db2.gz RQUNSGHMXKOZRT-VGSWGCGISA-N 1 2 418.497 2.996 50 0 HFAALO Cc1cc(N2CCN(CC(=O)N3CCC(c4ccccc4)=N3)CC2)nc(C(C)C)[nH+]1 ZINC000029631991 525078015 /nfs/dbraw/zinc/07/80/15/525078015.db2.gz KCIMBKLUUQCOOS-UHFFFAOYSA-N 1 2 406.534 2.667 50 0 HFAALO Cc1ccc(-c2nc(CN3CC[NH+](CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)no2)cc1 ZINC000032760108 525811278 /nfs/dbraw/zinc/81/12/78/525811278.db2.gz GLUYPCKPYWKZKL-OALUTQOASA-N 1 2 411.550 2.667 50 0 HFAALO O=C(NCc1ccc(Cn2cccn2)cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802190 526666292 /nfs/dbraw/zinc/66/62/92/526666292.db2.gz MMHBLJLGQTYSSS-QHCPKHFHSA-N 1 2 419.529 2.804 50 0 HFAALO O=C(c1ccc2c(c1)NC(=O)CCS2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000032676149 526725489 /nfs/dbraw/zinc/72/54/89/526725489.db2.gz RQFNZFYKWJVYSQ-UHFFFAOYSA-N 1 2 411.527 2.958 50 0 HFAALO O=C(NCc1ccncc1)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000020599327 526794297 /nfs/dbraw/zinc/79/42/97/526794297.db2.gz IXNWHDWRPSUJTI-QPJJXVBHSA-N 1 2 417.513 2.831 50 0 HFAALO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCn4cc[nH+]c4)C3)nc(C)c2c1 ZINC000011882368 535441832 /nfs/dbraw/zinc/44/18/32/535441832.db2.gz YVNYXBXCNYRZBI-QGZVFWFLSA-N 1 2 408.506 2.566 50 0 HFAALO COc1ccc(CCC(=O)NCCn2ncc3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000011665997 536828583 /nfs/dbraw/zinc/82/85/83/536828583.db2.gz CWJSSOIXLUBGFQ-UHFFFAOYSA-N 1 2 408.506 2.574 50 0 HFAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(O)CC2)cc1OC ZINC000022627620 557113682 /nfs/dbraw/zinc/11/36/82/557113682.db2.gz FIGHONGBYOLYCB-KRWDZBQOSA-N 1 2 418.519 2.758 50 0 HFAALO Cn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000021148246 557367454 /nfs/dbraw/zinc/36/74/54/557367454.db2.gz GPQMDHHHUCHGGV-UHFFFAOYSA-N 1 2 408.886 2.877 50 0 HFAALO CC(C)Cn1c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000005789700 557674493 /nfs/dbraw/zinc/67/44/93/557674493.db2.gz RAAJQFKDIRWBAB-UHFFFAOYSA-N 1 2 423.561 2.544 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697128 557783987 /nfs/dbraw/zinc/78/39/87/557783987.db2.gz WGZJHROVOZHOJH-FQEVSTJZSA-N 1 2 417.481 2.885 50 0 HFAALO COc1ccc(F)cc1C[NH+]1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000022785033 557820038 /nfs/dbraw/zinc/82/00/38/557820038.db2.gz MWJHDNMRFUWOKX-OAHLLOKOSA-N 1 2 415.465 2.708 50 0 HFAALO Cc1cc(C(=O)NC[C@@H]2CCCN(C(=O)CCn3c(C)[nH+]c4ccccc43)C2)no1 ZINC000011665348 558268721 /nfs/dbraw/zinc/26/87/21/558268721.db2.gz CPVQEZGCLGCKDH-KRWDZBQOSA-N 1 2 409.490 2.700 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)n1CCOC ZINC000011819320 558282491 /nfs/dbraw/zinc/28/24/91/558282491.db2.gz NUBMHWCXYPPXNJ-LJQANCHMSA-N 1 2 420.579 2.705 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)n1CCOC ZINC000011819320 558282494 /nfs/dbraw/zinc/28/24/94/558282494.db2.gz NUBMHWCXYPPXNJ-LJQANCHMSA-N 1 2 420.579 2.705 50 0 HFAALO COc1ccc(CN2C(=O)C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000019877452 558300303 /nfs/dbraw/zinc/30/03/03/558300303.db2.gz YZWGTBGCPUNEQU-GPVJQRHHSA-N 1 2 419.525 2.654 50 0 HFAALO COc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019907408 558305931 /nfs/dbraw/zinc/30/59/31/558305931.db2.gz MESKRQLALBMKHG-VMPITWQZSA-N 1 2 410.470 2.790 50 0 HFAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)Nc4ccccc4)CC3)c2c1 ZINC000020177546 558344082 /nfs/dbraw/zinc/34/40/82/558344082.db2.gz RNMONZICZOHGPL-UHFFFAOYSA-N 1 2 421.497 2.948 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283966 558353658 /nfs/dbraw/zinc/35/36/58/558353658.db2.gz LKEWSKKVWDIGFR-JOCHJYFZSA-N 1 2 420.513 2.680 50 0 HFAALO CC(NC1CC[NH+](Cc2ccccc2)CC1)=C1C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000020330571 558355933 /nfs/dbraw/zinc/35/59/33/558355933.db2.gz ZAFQEDMOXMZQBD-HEHNFIMWSA-N 1 2 418.497 2.798 50 0 HFAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012375781 558391931 /nfs/dbraw/zinc/39/19/31/558391931.db2.gz PVIJATJBOZEYAB-VMPITWQZSA-N 1 2 400.529 2.711 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)NC[C@H]1CCCO1 ZINC000004341705 558425367 /nfs/dbraw/zinc/42/53/67/558425367.db2.gz SRLLSAKRUYOCGG-CQSZACIVSA-N 1 2 403.895 2.856 50 0 HFAALO CSc1ccc(CNC(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)cc1 ZINC000012703439 558448650 /nfs/dbraw/zinc/44/86/50/558448650.db2.gz IRDHAZXORPWCEY-UHFFFAOYSA-N 1 2 402.568 2.724 50 0 HFAALO COc1ccc([C@H](CNc2nn3cnnc3c3ccccc32)[NH+]2CCOCC2)cc1 ZINC000021798666 558449927 /nfs/dbraw/zinc/44/99/27/558449927.db2.gz HFJWXMNAWCFSOD-FQEVSTJZSA-N 1 2 404.474 2.772 50 0 HFAALO 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50 0 HFAALO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000025196642 558634356 /nfs/dbraw/zinc/63/43/56/558634356.db2.gz SAZDUQCKVXBUAB-SFHVURJKSA-N 1 2 400.475 2.993 50 0 HFAALO COc1cc(CO[C@H]2CN(C(C)C)C(=O)C[N@H+](Cc3cccnc3)C2)cc(OC)c1 ZINC000014534564 558657613 /nfs/dbraw/zinc/65/76/13/558657613.db2.gz RWXLXRDMZUGCCR-JOCHJYFZSA-N 1 2 413.518 2.737 50 0 HFAALO COc1cc(CO[C@H]2CN(C(C)C)C(=O)C[N@@H+](Cc3cccnc3)C2)cc(OC)c1 ZINC000014534564 558657614 /nfs/dbraw/zinc/65/76/14/558657614.db2.gz RWXLXRDMZUGCCR-JOCHJYFZSA-N 1 2 413.518 2.737 50 0 HFAALO O=C(NCCCCOc1ccc(F)cc1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000027344837 558672328 /nfs/dbraw/zinc/67/23/28/558672328.db2.gz PAVRBJLBHWBMMR-UHFFFAOYSA-N 1 2 402.470 2.716 50 0 HFAALO CCC[NH+]1CCN(C(=O)c2sc3ncnc(NC[C@H]4CCCO4)c3c2C)CC1 ZINC000014985183 558692607 /nfs/dbraw/zinc/69/26/07/558692607.db2.gz VHXJETCIGKGQIF-OAHLLOKOSA-N 1 2 403.552 2.758 50 0 HFAALO C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072277575 558703702 /nfs/dbraw/zinc/70/37/02/558703702.db2.gz MYVQOXKBJOFJEJ-DOTOQJQBSA-N 1 2 411.340 2.930 50 0 HFAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000072277578 558703716 /nfs/dbraw/zinc/70/37/16/558703716.db2.gz MYVQOXKBJOFJEJ-WBVHZDCISA-N 1 2 411.340 2.930 50 0 HFAALO COc1ccc2c(C)c(CCC(=O)N3CC[NH+](Cc4ccncc4)CC3)c(=O)oc2c1 ZINC000028694253 558703990 /nfs/dbraw/zinc/70/39/90/558703990.db2.gz PIKSAHWEQWEZGC-UHFFFAOYSA-N 1 2 421.497 2.782 50 0 HFAALO CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000011033994 558704296 /nfs/dbraw/zinc/70/42/96/558704296.db2.gz PPMJJRNJGMTODO-NRFANRHFSA-N 1 2 420.469 2.750 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1)NC1Cc2ccccc2C1 ZINC000015066259 558709088 /nfs/dbraw/zinc/70/90/88/558709088.db2.gz DGUAABMZWHHOLR-DEOSSOPVSA-N 1 2 413.521 2.814 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2ccccc2c1)NC1Cc2ccccc2C1 ZINC000015066259 558709091 /nfs/dbraw/zinc/70/90/91/558709091.db2.gz DGUAABMZWHHOLR-DEOSSOPVSA-N 1 2 413.521 2.814 50 0 HFAALO COc1cccc([C@H](NC(=O)NCc2ccc3c(c2)OCCO3)c2[nH+]ccn2C)c1 ZINC000029323385 558713408 /nfs/dbraw/zinc/71/34/08/558713408.db2.gz FJZBDGBYOLKEGI-FQEVSTJZSA-N 1 2 408.458 2.789 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000015547588 558743300 /nfs/dbraw/zinc/74/33/00/558743300.db2.gz VIWYDZQRXUOJRG-AWEZNQCLSA-N 1 2 407.561 2.865 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000015547588 558743302 /nfs/dbraw/zinc/74/33/02/558743302.db2.gz VIWYDZQRXUOJRG-AWEZNQCLSA-N 1 2 407.561 2.865 50 0 HFAALO O=C([C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638205 558797349 /nfs/dbraw/zinc/79/73/49/558797349.db2.gz HKEAMONBQCFPOT-OAHLLOKOSA-N 1 2 418.419 2.802 50 0 HFAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@H](C)c1ccc(-n3cncn3)cc1)[nH]c2=O ZINC000016695366 558800876 /nfs/dbraw/zinc/80/08/76/558800876.db2.gz GDWWUVKWPUNMIQ-CQSZACIVSA-N 1 2 418.457 2.896 50 0 HFAALO 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Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000007974803 568959831 /nfs/dbraw/zinc/95/98/31/568959831.db2.gz RYRRTKXMRTZKMG-INIZCTEOSA-N 1 2 405.520 2.832 50 0 HFAALO O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)NCCCn1cc[nH+]c1 ZINC000008012645 568968434 /nfs/dbraw/zinc/96/84/34/568968434.db2.gz YMXKMTVISAQLHO-UHFFFAOYSA-N 1 2 418.563 2.806 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(Cl)cc1 ZINC000008118098 568974408 /nfs/dbraw/zinc/97/44/08/568974408.db2.gz TUYSJGURYVMGKZ-QGZVFWFLSA-N 1 2 407.861 2.840 50 0 HFAALO O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000020707704 569008116 /nfs/dbraw/zinc/00/81/16/569008116.db2.gz RQJCGBVQMKKBDD-UHFFFAOYSA-N 1 2 401.894 2.583 50 0 HFAALO Cc1ccc2nc(C[NH+]3CCN(C(=O)C(C)(C)c4ccccc4)CC3)cc(=O)n2c1 ZINC000012918298 569022676 /nfs/dbraw/zinc/02/26/76/569022676.db2.gz JNADKMXFPDWIMI-UHFFFAOYSA-N 1 2 404.514 2.625 50 0 HFAALO CSc1ncc(Cl)c(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000012918876 569022739 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418.497 2.893 50 0 HFAALO CCc1nc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)no1 ZINC000426379612 569072533 /nfs/dbraw/zinc/07/25/33/569072533.db2.gz DGIPDVUULBCNFW-UHFFFAOYSA-N 1 2 401.492 2.787 50 0 HFAALO CCc1nc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)no1 ZINC000426379612 569072534 /nfs/dbraw/zinc/07/25/34/569072534.db2.gz DGIPDVUULBCNFW-UHFFFAOYSA-N 1 2 401.492 2.787 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@@H](C)CC(N)=O)csc3C2)nc1 ZINC000426693774 569073926 /nfs/dbraw/zinc/07/39/26/569073926.db2.gz OLHUESRKRVQMEI-AWEZNQCLSA-N 1 2 400.548 2.600 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@@H](C)CC(N)=O)csc3C2)nc1 ZINC000426693774 569073927 /nfs/dbraw/zinc/07/39/27/569073927.db2.gz OLHUESRKRVQMEI-AWEZNQCLSA-N 1 2 400.548 2.600 50 0 HFAALO COc1cccc(-c2noc(CCCC(=O)N3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000426739125 569074113 /nfs/dbraw/zinc/07/41/13/569074113.db2.gz WUMIXIXGETXCCT-UHFFFAOYSA-N 1 2 407.474 2.812 50 0 HFAALO Cc1cccc(-c2ncc(C(=O)NCC[NH+]3CCOCC3)c(N3CCC(C)CC3)n2)c1 ZINC000035988635 569074322 /nfs/dbraw/zinc/07/43/22/569074322.db2.gz MXZTTXIANDPRDC-UHFFFAOYSA-N 1 2 423.561 2.750 50 0 HFAALO CC[C@@H](C)[N@H+](Cc1nc(C(=O)NCCOC)co1)Cc1ccc(OC)cc1OC ZINC000036082579 569087094 /nfs/dbraw/zinc/08/70/94/569087094.db2.gz TZPNYPNSKNOKRR-OAHLLOKOSA-N 1 2 405.495 2.869 50 0 HFAALO CC[C@@H](C)[N@@H+](Cc1nc(C(=O)NCCOC)co1)Cc1ccc(OC)cc1OC ZINC000036082579 569087095 /nfs/dbraw/zinc/08/70/95/569087095.db2.gz TZPNYPNSKNOKRR-OAHLLOKOSA-N 1 2 405.495 2.869 50 0 HFAALO COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036370512 569154074 /nfs/dbraw/zinc/15/40/74/569154074.db2.gz PHXNWVRMWZCADX-UHFFFAOYSA-N 1 2 417.512 2.594 50 0 HFAALO COc1cccc(CNC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c1 ZINC000065034855 569158132 /nfs/dbraw/zinc/15/81/32/569158132.db2.gz URMTYWJXXKGTKR-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO COc1cccc(CNC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c1 ZINC000065034855 569158133 /nfs/dbraw/zinc/15/81/33/569158133.db2.gz URMTYWJXXKGTKR-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000036398731 569171717 /nfs/dbraw/zinc/17/17/17/569171717.db2.gz PAFNLBLWJFJPMS-KSZLIROESA-N 1 2 420.985 2.789 50 0 HFAALO CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000006976993 569192432 /nfs/dbraw/zinc/19/24/32/569192432.db2.gz HFZFADPAYVMWJO-UHFFFAOYSA-N 1 2 401.517 2.952 50 0 HFAALO O=C(C1CCN(c2nnc(-c3ccccc3)o2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065229447 569200405 /nfs/dbraw/zinc/20/04/05/569200405.db2.gz IYZRWTQWZYQAQH-UHFFFAOYSA-N 1 2 418.501 2.697 50 0 HFAALO C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCn1cc[nH+]c1 ZINC000036597026 569201565 /nfs/dbraw/zinc/20/15/65/569201565.db2.gz ANPFLRWYKVTYQZ-OAHLLOKOSA-N 1 2 422.514 2.608 50 0 HFAALO COC(=O)c1cccc(NC(=O)C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000065237003 569202796 /nfs/dbraw/zinc/20/27/96/569202796.db2.gz JQJXSGSAEKTGRL-UHFFFAOYSA-N 1 2 409.490 2.719 50 0 HFAALO COC(=O)c1cccc(NC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000065237003 569202798 /nfs/dbraw/zinc/20/27/98/569202798.db2.gz JQJXSGSAEKTGRL-UHFFFAOYSA-N 1 2 409.490 2.719 50 0 HFAALO Cn1ncc2c1nc(C1CC1)cc2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000036617014 569207877 /nfs/dbraw/zinc/20/78/77/569207877.db2.gz KRWSZFVEZRZLQM-NRFANRHFSA-N 1 2 405.502 2.649 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1cc(C)cc(C)c1)C2 ZINC000065265782 569212955 /nfs/dbraw/zinc/21/29/55/569212955.db2.gz UWPNXNMXJDGSKQ-DEOSSOPVSA-N 1 2 406.530 2.958 50 0 biogenic HFAALO COc1ccc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCC(C)CC2)cc1OC ZINC000065295485 569218812 /nfs/dbraw/zinc/21/88/12/569218812.db2.gz UHAWDQCSHMNDTL-UHFFFAOYSA-N 1 2 410.478 2.719 50 0 HFAALO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000007285675 569231982 /nfs/dbraw/zinc/23/19/82/569231982.db2.gz DKAXKQVMXNUPKK-UHFFFAOYSA-N 1 2 410.543 2.720 50 0 HFAALO CCOC(=O)c1c(C)oc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1C(N)=O ZINC000007443137 569239140 /nfs/dbraw/zinc/23/91/40/569239140.db2.gz OEUSMKHTGBZLII-GFCCVEGCSA-N 1 2 405.476 2.701 50 0 HFAALO CCOC(=O)c1c(C)oc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1C(N)=O ZINC000007443137 569239141 /nfs/dbraw/zinc/23/91/41/569239141.db2.gz OEUSMKHTGBZLII-GFCCVEGCSA-N 1 2 405.476 2.701 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000037213025 569240462 /nfs/dbraw/zinc/24/04/62/569240462.db2.gz KBDWVUDITUAEON-ZCNNSNEGSA-N 1 2 400.567 2.729 50 0 HFAALO C[C@H]1[C@H](C(=O)N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000170605146 569244507 /nfs/dbraw/zinc/24/45/07/569244507.db2.gz VEGOHEUOUHPTFJ-JKSUJKDBSA-N 1 2 413.522 2.857 50 0 HFAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014369855 569259734 /nfs/dbraw/zinc/25/97/34/569259734.db2.gz HQUGCZYCRBWONM-UHFFFAOYSA-N 1 2 421.501 2.592 50 0 HFAALO CCc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1 ZINC000016971257 569269489 /nfs/dbraw/zinc/26/94/89/569269489.db2.gz LXPBXOHBFPIJAQ-HXUWFJFHSA-N 1 2 402.454 2.510 50 0 biogenic HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 ZINC000007812377 569312341 /nfs/dbraw/zinc/31/23/41/569312341.db2.gz XTDSCIVNENEYOY-UHFFFAOYSA-N 1 2 408.520 2.627 50 0 HFAALO COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012390330 569400754 /nfs/dbraw/zinc/40/07/54/569400754.db2.gz CVJFNDBPEJNQER-UHFFFAOYSA-N 1 2 407.470 2.786 50 0 HFAALO CC(C)c1noc(-c2ccnc(N3CC[NH+](CC(=O)NCc4ccccc4)CC3)c2)n1 ZINC000078903732 569421638 /nfs/dbraw/zinc/42/16/38/569421638.db2.gz XAJBIZTYIRZAIZ-UHFFFAOYSA-N 1 2 420.517 2.693 50 0 HFAALO CO[C@@H](C)c1nc(CN2CCC[N@H+](CC(=O)N3CCc4ccccc43)CC2)cs1 ZINC000079053470 569425850 /nfs/dbraw/zinc/42/58/50/569425850.db2.gz ZRDRNZIICNAALB-KRWDZBQOSA-N 1 2 414.575 2.948 50 0 HFAALO CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC(=O)N3CCc4ccccc43)CC2)cs1 ZINC000079053470 569425851 /nfs/dbraw/zinc/42/58/51/569425851.db2.gz ZRDRNZIICNAALB-KRWDZBQOSA-N 1 2 414.575 2.948 50 0 HFAALO O=C(CSc1ccc2c(c1)OCCO2)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000040059911 571146919 /nfs/dbraw/zinc/14/69/19/571146919.db2.gz PVJFBYZGEFSNOS-IBGZPJMESA-N 1 2 414.527 2.740 50 0 HFAALO CC(C)c1nnc(SCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1C1CC1 ZINC000040071088 571151682 /nfs/dbraw/zinc/15/16/82/571151682.db2.gz CZKJFPFDABWHJN-UHFFFAOYSA-N 1 2 400.552 2.962 50 0 HFAALO Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)C3(CCCCC3)[NH2+]4)[nH]n2)cc1 ZINC000040152719 571200346 /nfs/dbraw/zinc/20/03/46/571200346.db2.gz LSTYBZGQINQXKV-UHFFFAOYSA-N 1 2 407.518 2.740 50 0 HFAALO CCC[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000009154243 571231556 /nfs/dbraw/zinc/23/15/56/571231556.db2.gz QIKWMBVZHLNAFG-MRXNPFEDSA-N 1 2 415.515 2.839 50 0 HFAALO CCC[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000009154243 571231557 /nfs/dbraw/zinc/23/15/57/571231557.db2.gz QIKWMBVZHLNAFG-MRXNPFEDSA-N 1 2 415.515 2.839 50 0 HFAALO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009376692 571252929 /nfs/dbraw/zinc/25/29/29/571252929.db2.gz DYNPHAACJGSUET-AWEZNQCLSA-N 1 2 408.458 2.722 50 0 HFAALO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccco1 ZINC000009456996 571260257 /nfs/dbraw/zinc/26/02/57/571260257.db2.gz PMADNTLCIWOTAT-UHFFFAOYSA-N 1 2 405.520 2.915 50 0 HFAALO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Cc1ccco1 ZINC000009456996 571260258 /nfs/dbraw/zinc/26/02/58/571260258.db2.gz PMADNTLCIWOTAT-UHFFFAOYSA-N 1 2 405.520 2.915 50 0 HFAALO O=C(Nc1nc2c(s1)CCCC2)C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000070638023 571270649 /nfs/dbraw/zinc/27/06/49/571270649.db2.gz SYSMMGPXHVMCGT-UHFFFAOYSA-N 1 2 409.519 2.853 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3csc(N)n3)csc2C1 ZINC000426691308 571310845 /nfs/dbraw/zinc/31/08/45/571310845.db2.gz QDMLASOOLLQDIK-UHFFFAOYSA-N 1 2 403.533 2.880 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3csc(N)n3)csc2C1 ZINC000426691308 571310846 /nfs/dbraw/zinc/31/08/46/571310846.db2.gz QDMLASOOLLQDIK-UHFFFAOYSA-N 1 2 403.533 2.880 50 0 HFAALO O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034676539 571316396 /nfs/dbraw/zinc/31/63/96/571316396.db2.gz TZGLOFQRNPNEQM-GOSISDBHSA-N 1 2 421.513 2.940 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc(Cl)cc1 ZINC000000698086 132231078 /nfs/dbraw/zinc/23/10/78/132231078.db2.gz FOECXFZTHZLAOR-UHFFFAOYSA-N 1 2 408.955 2.673 50 0 HFAALO CCn1c(=O)cc(SCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000003958530 132269290 /nfs/dbraw/zinc/26/92/90/132269290.db2.gz UJJHJRHJIBQXFD-UHFFFAOYSA-N 1 2 408.527 2.857 50 0 HFAALO O=c1c(Cl)c(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cnn1-c1ccccc1 ZINC000007285773 132323769 /nfs/dbraw/zinc/32/37/69/132323769.db2.gz PJOUVCANKCJXSL-UHFFFAOYSA-N 1 2 420.904 2.856 50 0 HFAALO CC(C)(C)c1ccc(OCC(=O)OCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000010551821 132346185 /nfs/dbraw/zinc/34/61/85/132346185.db2.gz BURBMLWTFSXKMB-UHFFFAOYSA-N 1 2 411.502 2.650 50 0 HFAALO Cc1cc(N2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011077540 132347449 /nfs/dbraw/zinc/34/74/49/132347449.db2.gz CZLOVYUZIXDSGE-UHFFFAOYSA-N 1 2 421.545 2.927 50 0 HFAALO O=C(c1nc2sccn2c1C[NH+]1CCN(c2ccccn2)CC1)N1CCCCC1 ZINC000011664041 132348775 /nfs/dbraw/zinc/34/87/75/132348775.db2.gz KUKKWDZACPWSJF-UHFFFAOYSA-N 1 2 410.547 2.739 50 0 HFAALO O=C(CCc1csc(NC(=O)c2ccco2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000011835007 132351126 /nfs/dbraw/zinc/35/11/26/132351126.db2.gz ANMNCMXHBJZSTF-UHFFFAOYSA-N 1 2 411.487 2.665 50 0 HFAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 ZINC000012543849 132362607 /nfs/dbraw/zinc/36/26/07/132362607.db2.gz SVESHTHLYHXKQC-JQHMZKTJSA-N 1 2 400.523 2.664 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 ZINC000012543849 132362609 /nfs/dbraw/zinc/36/26/09/132362609.db2.gz SVESHTHLYHXKQC-JQHMZKTJSA-N 1 2 400.523 2.664 50 0 HFAALO COc1ccccc1CNC(=O)[C@H](C)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000012785684 132367251 /nfs/dbraw/zinc/36/72/51/132367251.db2.gz IVEIHXMCTUTXRW-SFHVURJKSA-N 1 2 411.550 2.744 50 0 HFAALO CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000013685453 132458890 /nfs/dbraw/zinc/45/88/90/132458890.db2.gz FQMNUKVRBHSEJD-HNNXBMFYSA-N 1 2 410.478 2.733 50 0 HFAALO CC(C)N(C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000032865322 519553041 /nfs/dbraw/zinc/55/30/41/519553041.db2.gz ILHQGBVWBOJFDW-UHFFFAOYSA-N 1 2 421.588 2.932 50 0 HFAALO COc1c2c(c(NC(=O)c3cncc(Br)c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123889 521886150 /nfs/dbraw/zinc/88/61/50/521886150.db2.gz ONEOFNWTCFDVOC-UHFFFAOYSA-N 1 2 420.263 2.822 50 0 biogenic HFAALO COc1c2c(c(NC(=O)c3cncc(Br)c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123889 521886163 /nfs/dbraw/zinc/88/61/63/521886163.db2.gz ONEOFNWTCFDVOC-UHFFFAOYSA-N 1 2 420.263 2.822 50 0 biogenic HFAALO COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)cc1 ZINC000032144611 522123341 /nfs/dbraw/zinc/12/33/41/522123341.db2.gz RIXMGLNLEYYWEH-UHFFFAOYSA-N 1 2 411.439 2.921 50 0 HFAALO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000020541340 522447548 /nfs/dbraw/zinc/44/75/48/522447548.db2.gz PRPVGIAZSMSGRE-UHFFFAOYSA-N 1 2 419.503 2.902 50 0 HFAALO C[N@H+](CCc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000020535067 522957738 /nfs/dbraw/zinc/95/77/38/522957738.db2.gz WHNIZZMVEDWOSF-NRFANRHFSA-N 1 2 417.575 2.920 50 0 HFAALO C[N@@H+](CCc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000020535067 522957753 /nfs/dbraw/zinc/95/77/53/522957753.db2.gz WHNIZZMVEDWOSF-NRFANRHFSA-N 1 2 417.575 2.920 50 0 HFAALO COc1cccc(C[NH+]2CCN(C(=O)c3cn(Cc4ccccc4C)nn3)CC2)c1 ZINC000020538765 525946102 /nfs/dbraw/zinc/94/61/02/525946102.db2.gz WJGJFSUTBGUKQX-UHFFFAOYSA-N 1 2 405.502 2.601 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000023805247 525954322 /nfs/dbraw/zinc/95/43/22/525954322.db2.gz PAADDODWMPGSLW-QHCPKHFHSA-N 1 2 421.541 2.854 50 0 HFAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000032797344 526137835 /nfs/dbraw/zinc/13/78/35/526137835.db2.gz JZTGCAXZCFRCEQ-MRXNPFEDSA-N 1 2 424.948 2.826 50 0 HFAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nc2c(s1)CCCCC2 ZINC000040267486 526379008 /nfs/dbraw/zinc/37/90/08/526379008.db2.gz OLFNYGZALQIMBJ-UHFFFAOYSA-N 1 2 413.547 2.875 50 0 HFAALO S=C(NCCC[NH+]1CCOCC1)N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032903082 526384639 /nfs/dbraw/zinc/38/46/39/526384639.db2.gz AUWCSPBIOPWNCY-OAQYLSRUSA-N 1 2 409.559 2.839 50 0 HFAALO S=C(NCCC[NH+]1CCOCC1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032903082 526384641 /nfs/dbraw/zinc/38/46/41/526384641.db2.gz AUWCSPBIOPWNCY-OAQYLSRUSA-N 1 2 409.559 2.839 50 0 HFAALO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cc(Br)ccc1O ZINC000030694006 526579515 /nfs/dbraw/zinc/57/95/15/526579515.db2.gz JXHWQENSZNRYBZ-QGZVFWFLSA-N 1 2 405.292 2.958 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000044331382 526771635 /nfs/dbraw/zinc/77/16/35/526771635.db2.gz YMYMJAQHTGHDHC-HXUWFJFHSA-N 1 2 412.490 2.798 50 0 HFAALO O=C(NCc1cnn(-c2ccccc2)c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032809225 526806526 /nfs/dbraw/zinc/80/65/26/526806526.db2.gz WQWJWEXNJXAHJN-JOCHJYFZSA-N 1 2 405.502 2.745 50 0 HFAALO O=C(c1ccccc1OC[C@@H]1CCCO1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032843362 526810419 /nfs/dbraw/zinc/81/04/19/526810419.db2.gz TWDGRISZRSHXMA-IBGZPJMESA-N 1 2 424.497 2.931 50 0 HFAALO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1O ZINC000097514683 557817730 /nfs/dbraw/zinc/81/77/30/557817730.db2.gz XTNKPXKLLCKKQG-NRFANRHFSA-N 1 2 416.481 2.989 50 0 biogenic HFAALO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1O ZINC000097514683 557817733 /nfs/dbraw/zinc/81/77/33/557817733.db2.gz XTNKPXKLLCKKQG-NRFANRHFSA-N 1 2 416.481 2.989 50 0 biogenic HFAALO COc1ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3cc(C)on3)nc2c1 ZINC000022768251 557818410 /nfs/dbraw/zinc/81/84/10/557818410.db2.gz BUEWBJBOEWJWKK-UHFFFAOYSA-N 1 2 416.503 2.970 50 0 HFAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022788075 557820567 /nfs/dbraw/zinc/82/05/67/557820567.db2.gz QPHIFNOVONGPAN-HXUWFJFHSA-N 1 2 420.557 2.921 50 0 HFAALO Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1NC(=O)NCCCn1ccnc1 ZINC000022892814 557849094 /nfs/dbraw/zinc/84/90/94/557849094.db2.gz GUUFPSWTLQEZMA-UHFFFAOYSA-N 1 2 424.509 2.812 50 0 HFAALO Cc1ccc(NC(=O)NCCCn2ccnc2)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000022892814 557849095 /nfs/dbraw/zinc/84/90/95/557849095.db2.gz GUUFPSWTLQEZMA-UHFFFAOYSA-N 1 2 424.509 2.812 50 0 HFAALO C[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1 ZINC000019730849 558259295 /nfs/dbraw/zinc/25/92/95/558259295.db2.gz VJDNUOLGCOWMBM-UHFFFAOYSA-N 1 2 407.449 2.651 50 0 HFAALO CC(C)CCn1c(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)C(C)C ZINC000011663731 558267284 /nfs/dbraw/zinc/26/72/84/558267284.db2.gz KFEYPUIIULSUOH-QGZVFWFLSA-N 1 2 412.600 2.600 50 0 HFAALO CC(C)CCn1c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)C(C)C ZINC000011663731 558267287 /nfs/dbraw/zinc/26/72/87/558267287.db2.gz KFEYPUIIULSUOH-QGZVFWFLSA-N 1 2 412.600 2.600 50 0 HFAALO CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000011664706 558268239 /nfs/dbraw/zinc/26/82/39/558268239.db2.gz MRULRWUGBRGWQQ-UHFFFAOYSA-N 1 2 404.898 2.735 50 0 HFAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000011774979 558274903 /nfs/dbraw/zinc/27/49/03/558274903.db2.gz KPDVYOWFCNJWIL-GOSISDBHSA-N 1 2 414.529 2.840 50 0 HFAALO C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)CC1 ZINC000020386892 558358764 /nfs/dbraw/zinc/35/87/64/558358764.db2.gz JDIRGINYGVQNEQ-UHFFFAOYSA-N 1 2 416.319 2.866 50 0 HFAALO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000020390053 558359010 /nfs/dbraw/zinc/35/90/10/558359010.db2.gz MWBSLLDKKJHWRS-UHFFFAOYSA-N 1 2 419.526 2.693 50 0 HFAALO C[C@@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020394215 558359404 /nfs/dbraw/zinc/35/94/04/558359404.db2.gz VNDCHLSSSRJFMR-LLVKDONJSA-N 1 2 404.923 2.881 50 0 HFAALO C[C@@H](O)CNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020394215 558359406 /nfs/dbraw/zinc/35/94/06/558359406.db2.gz VNDCHLSSSRJFMR-LLVKDONJSA-N 1 2 404.923 2.881 50 0 HFAALO C[N@H+](CCc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000020535070 558385568 /nfs/dbraw/zinc/38/55/68/558385568.db2.gz WHNIZZMVEDWOSF-OAQYLSRUSA-N 1 2 417.575 2.920 50 0 HFAALO C[N@@H+](CCc1ccccc1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000020535070 558385572 /nfs/dbraw/zinc/38/55/72/558385572.db2.gz WHNIZZMVEDWOSF-OAQYLSRUSA-N 1 2 417.575 2.920 50 0 HFAALO CCCS(=O)(=O)c1ncc(C[N@H+](C)CCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000020877776 558419756 /nfs/dbraw/zinc/41/97/56/558419756.db2.gz BJJFPAGFUZAMNK-FQEVSTJZSA-N 1 2 405.564 2.920 50 0 HFAALO CCCS(=O)(=O)c1ncc(C[N@@H+](C)CCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000020877776 558419758 /nfs/dbraw/zinc/41/97/58/558419758.db2.gz BJJFPAGFUZAMNK-FQEVSTJZSA-N 1 2 405.564 2.920 50 0 HFAALO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020902826 558420764 /nfs/dbraw/zinc/42/07/64/558420764.db2.gz OLSVFJKZDFTKRW-UHFFFAOYSA-N 1 2 404.514 2.969 50 0 HFAALO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000020902885 558420817 /nfs/dbraw/zinc/42/08/17/558420817.db2.gz OLPHIKLPFPONBM-UHFFFAOYSA-N 1 2 420.513 2.669 50 0 HFAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000012582500 558432893 /nfs/dbraw/zinc/43/28/93/558432893.db2.gz QKUYWMGXYMYAGH-HSZRJFAPSA-N 1 2 416.525 2.892 50 0 HFAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000012582500 558432896 /nfs/dbraw/zinc/43/28/96/558432896.db2.gz QKUYWMGXYMYAGH-HSZRJFAPSA-N 1 2 416.525 2.892 50 0 HFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CCCN1C(=O)c2ccc(C)cc2C1=O ZINC000010737299 558433394 /nfs/dbraw/zinc/43/33/94/558433394.db2.gz FNJDJTLVQKBCIX-UHFFFAOYSA-N 1 2 404.470 2.846 50 0 HFAALO CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000021847547 558452244 /nfs/dbraw/zinc/45/22/44/558452244.db2.gz GBCIJKJMIQSGAX-INIZCTEOSA-N 1 2 409.486 2.763 50 0 HFAALO Cc1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3c2cnn3C)cc1Cl ZINC000021873412 558453326 /nfs/dbraw/zinc/45/33/26/558453326.db2.gz OTAHVRCWQGGTCM-UHFFFAOYSA-N 1 2 401.902 2.813 50 0 HFAALO O=c1[nH]nc(SC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1CCc1ccccc1 ZINC000012796923 558469583 /nfs/dbraw/zinc/46/95/83/558469583.db2.gz SYGBLZBVJVSMOB-FQEVSTJZSA-N 1 2 410.543 2.807 50 0 HFAALO O=c1[nH]nc(SC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CCc1ccccc1 ZINC000012796923 558469585 /nfs/dbraw/zinc/46/95/85/558469585.db2.gz SYGBLZBVJVSMOB-FQEVSTJZSA-N 1 2 410.543 2.807 50 0 HFAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 ZINC000004385510 558482811 /nfs/dbraw/zinc/48/28/11/558482811.db2.gz VZUUGHFESPDJKZ-CQSZACIVSA-N 1 2 415.925 2.510 50 0 HFAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1 ZINC000004385510 558482813 /nfs/dbraw/zinc/48/28/13/558482813.db2.gz VZUUGHFESPDJKZ-CQSZACIVSA-N 1 2 415.925 2.510 50 0 HFAALO Cc1c(Cl)cnn1[C@H](C)C(=O)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000022438442 558489714 /nfs/dbraw/zinc/48/97/14/558489714.db2.gz XHZQFQMIQLTKJN-OAHLLOKOSA-N 1 2 416.913 2.727 50 0 HFAALO CC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000012973734 558490243 /nfs/dbraw/zinc/49/02/43/558490243.db2.gz UKJQEXNVGOZPHA-UHFFFAOYSA-N 1 2 402.520 2.622 50 0 HFAALO O=C(C[NH+]1CCN([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1)N1CCCC1 ZINC000022788094 558511565 /nfs/dbraw/zinc/51/15/65/558511565.db2.gz WKKUZZUGMQUWCV-QHCPKHFHSA-N 1 2 424.520 2.746 50 0 HFAALO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCN(CC(=O)NC4CC4)CC3)n2c1 ZINC000022801172 558513052 /nfs/dbraw/zinc/51/30/52/558513052.db2.gz LJQUEJLQVSLBQW-UHFFFAOYSA-N 1 2 403.530 2.706 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000022913112 558520317 /nfs/dbraw/zinc/52/03/17/558520317.db2.gz GCCMYCNVMYIDLV-IBGZPJMESA-N 1 2 400.567 2.731 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000022914822 558521066 /nfs/dbraw/zinc/52/10/66/558521066.db2.gz KBDWVUDITUAEON-HSALFYBXSA-N 1 2 400.567 2.729 50 0 HFAALO O=C(CN1CC[NH+]([C@H](C(=O)N2CCCC2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000022926577 558523381 /nfs/dbraw/zinc/52/33/81/558523381.db2.gz HDZFRTHJAMEBEB-QHCPKHFHSA-N 1 2 424.520 2.746 50 0 HFAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000023012626 558530328 /nfs/dbraw/zinc/53/03/28/558530328.db2.gz YMGNJYDHJCCAQA-UHFFFAOYSA-N 1 2 421.501 2.508 50 0 HFAALO Cc1cc(=O)oc2cc(OCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(Cl)cc12 ZINC000013627058 558551212 /nfs/dbraw/zinc/55/12/12/558551212.db2.gz ZSMAXDSBOZDTIJ-UHFFFAOYSA-N 1 2 413.861 2.877 50 0 HFAALO O=c1[nH]c(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c3ccccc3oc21 ZINC000023700086 558568575 /nfs/dbraw/zinc/56/85/75/558568575.db2.gz LVHLZMOJLXRDOS-UHFFFAOYSA-N 1 2 418.453 2.716 50 0 HFAALO CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023731907 558571675 /nfs/dbraw/zinc/57/16/75/558571675.db2.gz LMTNKWXNQXFABH-NRFANRHFSA-N 1 2 415.559 2.612 50 0 HFAALO O=C1C(=O)N(C[N@@H+](Cc2ccc(F)cc2)C2CC2)C(=O)N1CCc1cccs1 ZINC000023763557 558575227 /nfs/dbraw/zinc/57/52/27/558575227.db2.gz YJFBWUPQQSPRRV-UHFFFAOYSA-N 1 2 401.463 2.843 50 0 HFAALO O=C1C(=O)N(C[N@H+](Cc2ccc(F)cc2)C2CC2)C(=O)N1CCc1cccs1 ZINC000023763557 558575228 /nfs/dbraw/zinc/57/52/28/558575228.db2.gz YJFBWUPQQSPRRV-UHFFFAOYSA-N 1 2 401.463 2.843 50 0 HFAALO CCOc1ccc(-n2ncc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)c2C)nn1 ZINC000023776071 558575691 /nfs/dbraw/zinc/57/56/91/558575691.db2.gz KWBAPDMNMPPAHL-HXUWFJFHSA-N 1 2 417.473 2.622 50 0 HFAALO COc1cc(OC)cc([C@H](NC(=O)Cc2ccc(NC(C)=O)cc2)c2[nH+]ccn2C)c1 ZINC000024023362 558584805 /nfs/dbraw/zinc/58/48/05/558584805.db2.gz DFSQQMGXPONGNH-QFIPXVFZSA-N 1 2 422.485 2.844 50 0 HFAALO CC(C)C(=O)Nc1ccc(C2(C(=O)NCC[NH+]3CCOCC3)CCCCC2)cc1 ZINC000065027409 558593122 /nfs/dbraw/zinc/59/31/22/558593122.db2.gz VDMOKAHWUUONRL-UHFFFAOYSA-N 1 2 401.551 2.931 50 0 HFAALO O=C(Cc1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024302980 558594726 /nfs/dbraw/zinc/59/47/26/558594726.db2.gz VSUQCGSDCHEDHX-UHFFFAOYSA-N 1 2 419.525 2.635 50 0 HFAALO CC(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[NH+]1CCOCC1 ZINC000024842900 558617164 /nfs/dbraw/zinc/61/71/64/558617164.db2.gz WCAITIGXCQKVEN-CQSZACIVSA-N 1 2 414.877 2.994 50 0 HFAALO CC(C)(CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)[NH+]1CCOCC1 ZINC000024927765 558621146 /nfs/dbraw/zinc/62/11/46/558621146.db2.gz VJRKMRODNVGEDG-UHFFFAOYSA-N 1 2 408.502 2.754 50 0 HFAALO CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1C ZINC000014182526 558628726 /nfs/dbraw/zinc/62/87/26/558628726.db2.gz GWBPOZDAWYNWEB-UHFFFAOYSA-N 1 2 411.502 2.701 50 0 HFAALO O=C1[C@@H]2CCCC[C@@H]2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014188772 558632115 /nfs/dbraw/zinc/63/21/15/558632115.db2.gz VLNJXDFZKBGHPA-IYBDPMFKSA-N 1 2 410.440 2.745 50 0 HFAALO O=C1[C@@H]2CCCC[C@@H]2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014188772 558632118 /nfs/dbraw/zinc/63/21/18/558632118.db2.gz VLNJXDFZKBGHPA-IYBDPMFKSA-N 1 2 410.440 2.745 50 0 HFAALO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014189381 558632262 /nfs/dbraw/zinc/63/22/62/558632262.db2.gz NMLSBJKBQISFIV-UHFFFAOYSA-N 1 2 410.440 2.889 50 0 HFAALO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014189381 558632264 /nfs/dbraw/zinc/63/22/64/558632264.db2.gz NMLSBJKBQISFIV-UHFFFAOYSA-N 1 2 410.440 2.889 50 0 HFAALO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000025326059 558637960 /nfs/dbraw/zinc/63/79/60/558637960.db2.gz UCVSWWSLAIVSAQ-UHFFFAOYSA-N 1 2 415.559 2.675 50 0 HFAALO CN1C(=O)C[C@H](C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000072242128 558640600 /nfs/dbraw/zinc/64/06/00/558640600.db2.gz PEVXGWKJRDDVDF-RBBKRZOGSA-N 1 2 413.468 2.829 50 0 HFAALO O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000014235504 558641120 /nfs/dbraw/zinc/64/11/20/558641120.db2.gz OEZMRYGYPOPJOW-UHFFFAOYSA-N 1 2 416.481 2.953 50 0 HFAALO Cn1c2ccccc2nc1SCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000027119250 558669788 /nfs/dbraw/zinc/66/97/88/558669788.db2.gz UQWQDXPNOBVGLV-UHFFFAOYSA-N 1 2 410.543 2.814 50 0 HFAALO Cc1c[nH]c(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCc2ccccc2)n1 ZINC000014530595 558685051 /nfs/dbraw/zinc/68/50/51/558685051.db2.gz KNCRUWAJAGZVJD-UHFFFAOYSA-N 1 2 409.534 2.968 50 0 HFAALO C[C@@H](C1CC1)N(C)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000072274080 558699563 /nfs/dbraw/zinc/69/95/63/558699563.db2.gz NFQZHLUFLPZRTL-AWEZNQCLSA-N 1 2 412.347 2.963 50 0 HFAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000072277576 558703759 /nfs/dbraw/zinc/70/37/59/558703759.db2.gz MYVQOXKBJOFJEJ-NVXWUHKLSA-N 1 2 411.340 2.930 50 0 HFAALO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000028875310 558706516 /nfs/dbraw/zinc/70/65/16/558706516.db2.gz IJMGTYJOUZNEHQ-VQTJNVASSA-N 1 2 417.550 2.823 50 0 HFAALO COc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2[nH+]ccn2C)cc1 ZINC000029133713 558710519 /nfs/dbraw/zinc/71/05/19/558710519.db2.gz DOLLTGUSIXQXFQ-XLIONFOSSA-N 1 2 422.485 2.780 50 0 HFAALO COc1cccc([C@@H](C)N(C)C(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000015073251 558714214 /nfs/dbraw/zinc/71/42/14/558714214.db2.gz NGCWJOGPMHRMJG-GOSISDBHSA-N 1 2 414.554 2.913 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@H]1c1ccccc1OC(F)F ZINC000029594514 558717529 /nfs/dbraw/zinc/71/75/29/558717529.db2.gz UBXYHWYNDUEBAY-KRWDZBQOSA-N 1 2 409.433 2.945 50 0 HFAALO COc1ccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2[nH+]ccn2C)cc1 ZINC000029814047 558721679 /nfs/dbraw/zinc/72/16/79/558721679.db2.gz KQSMUNSLZSWMJV-QFIPXVFZSA-N 1 2 420.469 2.598 50 0 HFAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015300673 558731163 /nfs/dbraw/zinc/73/11/63/558731163.db2.gz NCKIICZDMBGKNZ-CTNGQTDRSA-N 1 2 420.575 2.790 50 0 HFAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015300673 558731165 /nfs/dbraw/zinc/73/11/65/558731165.db2.gz NCKIICZDMBGKNZ-CTNGQTDRSA-N 1 2 420.575 2.790 50 0 HFAALO CO[C@@H](C)c1noc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000072311039 558778212 /nfs/dbraw/zinc/77/82/12/558778212.db2.gz KXLHMRKBMPTWPR-NSHDSACASA-N 1 2 424.299 2.785 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000072311055 558778465 /nfs/dbraw/zinc/77/84/65/558778465.db2.gz MTTUJAIRHOYORN-OHZJNBGDSA-N 1 2 401.532 2.805 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000072311055 558778468 /nfs/dbraw/zinc/77/84/68/558778468.db2.gz MTTUJAIRHOYORN-OHZJNBGDSA-N 1 2 401.532 2.805 50 0 HFAALO COc1cccc(OCCC[NH+]2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000034847948 558784731 /nfs/dbraw/zinc/78/47/31/558784731.db2.gz XPJMEUBQPNJZSQ-UHFFFAOYSA-N 1 2 404.532 2.779 50 0 HFAALO O=C(C1CCN(c2nc(-c3ccccc3)no2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033069247 558865829 /nfs/dbraw/zinc/86/58/29/558865829.db2.gz CMJMZSPSONODBQ-UHFFFAOYSA-N 1 2 418.501 2.697 50 0 HFAALO Cc1noc2nc(C)cc(C(=O)OCC(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)c12 ZINC000010652570 558870901 /nfs/dbraw/zinc/87/09/01/558870901.db2.gz NPBUVADNLFHAJO-LJQANCHMSA-N 1 2 419.441 2.636 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)cc1 ZINC000010656741 558885530 /nfs/dbraw/zinc/88/55/30/558885530.db2.gz LNHLAQQSKBLIAS-QGZVFWFLSA-N 1 2 408.355 2.646 50 0 HFAALO CCS(=O)(=O)c1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000059921243 558939950 /nfs/dbraw/zinc/93/99/50/558939950.db2.gz JFCRURVMQNEHLV-UHFFFAOYSA-N 1 2 416.543 2.883 50 0 HFAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cnc(N)nc2)nc2c(C)cccc12 ZINC000063855656 558959625 /nfs/dbraw/zinc/95/96/25/558959625.db2.gz GHPRLJYEQGQKRG-UHFFFAOYSA-N 1 2 401.474 2.978 50 0 HFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)[nH+]c(C)n2)n1 ZINC000067630169 558990440 /nfs/dbraw/zinc/99/04/40/558990440.db2.gz MHLNXGSQZLCFQI-UHFFFAOYSA-N 1 2 412.444 2.828 50 0 HFAALO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000096833030 558993501 /nfs/dbraw/zinc/99/35/01/558993501.db2.gz OQFAJESUAYKIOZ-MRXNPFEDSA-N 1 2 406.958 2.734 50 0 HFAALO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000023074721 558999003 /nfs/dbraw/zinc/99/90/03/558999003.db2.gz DEVGTACVUQGGQF-UHFFFAOYSA-N 1 2 414.487 2.513 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000023157503 559022377 /nfs/dbraw/zinc/02/23/77/559022377.db2.gz XUKLNBPRIOOTLQ-OAHLLOKOSA-N 1 2 404.467 2.872 50 0 HFAALO CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1nnnc1C[NH+]1CCCC1 ZINC000011873505 559264740 /nfs/dbraw/zinc/26/47/40/559264740.db2.gz TXYFIXOXJHNBKU-QFIPXVFZSA-N 1 2 407.522 2.532 50 0 HFAALO O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024379114 560770435 /nfs/dbraw/zinc/77/04/35/560770435.db2.gz RCFLOCPUGZXNPB-UHFFFAOYSA-N 1 2 424.497 2.569 50 0 HFAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCc1ccc(Cl)cc1 ZINC000018271665 560785897 /nfs/dbraw/zinc/78/58/97/560785897.db2.gz ABBYITXESDBJRE-UHFFFAOYSA-N 1 2 400.910 2.523 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cc(N2CCCC2=O)ccc1F ZINC000048145869 568432219 /nfs/dbraw/zinc/43/22/19/568432219.db2.gz SSDDCKSCEMQVBV-UHFFFAOYSA-N 1 2 413.453 2.506 50 0 HFAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000020308118 568598148 /nfs/dbraw/zinc/59/81/48/568598148.db2.gz OETQWCCGONCNCX-FQEVSTJZSA-N 1 2 423.444 2.595 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000095381661 568603577 /nfs/dbraw/zinc/60/35/77/568603577.db2.gz BRHFGJFCQPEXBH-FQEVSTJZSA-N 1 2 408.546 2.771 50 0 HFAALO CCc1sc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000095392690 568604176 /nfs/dbraw/zinc/60/41/76/568604176.db2.gz VQUUNHLDHGKBMH-UHFFFAOYSA-N 1 2 407.561 2.807 50 0 HFAALO Nc1nc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)nc(Nc2ccccc2)n1 ZINC000095401356 568605220 /nfs/dbraw/zinc/60/52/20/568605220.db2.gz VXAUWBYSYAZVGC-UHFFFAOYSA-N 1 2 419.489 2.754 50 0 HFAALO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000020614555 568637696 /nfs/dbraw/zinc/63/76/96/568637696.db2.gz QASPWXCNGMNHQK-FQEVSTJZSA-N 1 2 411.477 2.944 50 0 HFAALO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC[NH+]1CCOCC1)oc1c3CCCC1 ZINC000020757484 568641827 /nfs/dbraw/zinc/64/18/27/568641827.db2.gz CMGXDILCCYWIDW-UHFFFAOYSA-N 1 2 424.497 2.717 50 0 biogenic HFAALO O=C(C[NH+]1CCN(Cc2ccccc2Br)CC1)NCc1ccccc1 ZINC000095947123 568664717 /nfs/dbraw/zinc/66/47/17/568664717.db2.gz JNHQXLXASAIHDG-UHFFFAOYSA-N 1 2 402.336 2.883 50 0 HFAALO CCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NC(=O)CC(C)C)ccc21 ZINC000096276359 568715388 /nfs/dbraw/zinc/71/53/88/568715388.db2.gz ZEZLKQKCMZNOMQ-UHFFFAOYSA-N 1 2 400.523 2.708 50 0 HFAALO CCC(=O)N1CCc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000096324022 568733130 /nfs/dbraw/zinc/73/31/30/568733130.db2.gz MGGWKLYDRZLVKT-UHFFFAOYSA-N 1 2 421.497 2.672 50 0 HFAALO C[C@@]1(c2ccccc2)NC(=O)N(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1=O ZINC000096438009 568752332 /nfs/dbraw/zinc/75/23/32/568752332.db2.gz DZLILFWPPDKBOH-QFIPXVFZSA-N 1 2 412.921 2.882 50 0 HFAALO CC1=C(C(N)=O)[C@@H](c2cccc(Br)c2)N2NC(c3ccccc3)=NC2=[NH+]1 ZINC000000956661 568757794 /nfs/dbraw/zinc/75/77/94/568757794.db2.gz PJVOBJBVOXLENR-MRXNPFEDSA-N 1 2 410.275 2.886 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)NCc1ccccc1Cl ZINC000022040591 568764342 /nfs/dbraw/zinc/76/43/42/568764342.db2.gz PITQFCTYCZOHCF-UHFFFAOYSA-N 1 2 401.894 2.503 50 0 HFAALO Cc1cc(C)n(-c2ccc(CCC(=O)NCc3ccc(N4CCOCC4)[nH+]c3)cc2)n1 ZINC000225605515 568776051 /nfs/dbraw/zinc/77/60/51/568776051.db2.gz WMPPQZQHKFBJQX-UHFFFAOYSA-N 1 2 419.529 2.970 50 0 HFAALO CCOc1ccc(C)cc1S(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056997575 568822709 /nfs/dbraw/zinc/82/27/09/568822709.db2.gz VTEGQSJEQQYHSJ-UHFFFAOYSA-N 1 2 421.538 2.633 50 0 HFAALO CC(C)c1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000056998018 568822944 /nfs/dbraw/zinc/82/29/44/568822944.db2.gz RLILPCSHIGRAEW-UHFFFAOYSA-N 1 2 412.509 2.826 50 0 HFAALO COC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414561 568833740 /nfs/dbraw/zinc/83/37/40/568833740.db2.gz VVFQTCVTHPTBKG-OAQYLSRUSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414561 568833742 /nfs/dbraw/zinc/83/37/42/568833742.db2.gz VVFQTCVTHPTBKG-OAQYLSRUSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414561 568833743 /nfs/dbraw/zinc/83/37/43/568833743.db2.gz VVFQTCVTHPTBKG-OAQYLSRUSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414561 568833745 /nfs/dbraw/zinc/83/37/45/568833745.db2.gz VVFQTCVTHPTBKG-OAQYLSRUSA-N 1 2 407.470 2.535 50 0 HFAALO O=S(=O)(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccc(Br)c1 ZINC000057628638 568856183 /nfs/dbraw/zinc/85/61/83/568856183.db2.gz DHXJJHCCZPILMM-UHFFFAOYSA-N 1 2 424.364 2.550 50 0 HFAALO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cscn2)CC1 ZINC000299801140 568876728 /nfs/dbraw/zinc/87/67/28/568876728.db2.gz YQTSOKBDDYRRRK-LJQANCHMSA-N 1 2 405.495 2.553 50 0 HFAALO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000012695397 568916067 /nfs/dbraw/zinc/91/60/67/568916067.db2.gz NPDNVGPZMJNYFF-CQSZACIVSA-N 1 2 411.458 2.602 50 0 HFAALO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H]1COc2ccccc2O1 ZINC000012695397 568916069 /nfs/dbraw/zinc/91/60/69/568916069.db2.gz NPDNVGPZMJNYFF-CQSZACIVSA-N 1 2 411.458 2.602 50 0 HFAALO CN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000012700280 568917359 /nfs/dbraw/zinc/91/73/59/568917359.db2.gz IQLXXEDGMGQUMO-UHFFFAOYSA-N 1 2 423.586 2.769 50 0 HFAALO O=C(CCc1nnc(-c2ccsc2)o1)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000084585259 568951486 /nfs/dbraw/zinc/95/14/86/568951486.db2.gz IJHPWMWOVYXZLU-UHFFFAOYSA-N 1 2 408.487 2.956 50 0 HFAALO COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007985388 568964394 /nfs/dbraw/zinc/96/43/94/568964394.db2.gz WHFATZRJKVBDTO-CQSZACIVSA-N 1 2 414.487 2.879 50 0 HFAALO COc1cc(OC)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000012868522 569012332 /nfs/dbraw/zinc/01/23/32/569012332.db2.gz CNEPPVWIIRRQCL-UHFFFAOYSA-N 1 2 409.914 2.630 50 0 HFAALO COc1ccc([C@@H](NC(=O)C[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000035307552 569029987 /nfs/dbraw/zinc/02/99/87/569029987.db2.gz VMBPWXORPYUHMC-QHCPKHFHSA-N 1 2 417.513 2.513 50 0 HFAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609264 569042430 /nfs/dbraw/zinc/04/24/30/569042430.db2.gz ZQSYLSVGHAPWNQ-HNNXBMFYSA-N 1 2 424.510 2.534 50 0 HFAALO O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000035966847 569069223 /nfs/dbraw/zinc/06/92/23/569069223.db2.gz ZUIWSHRJWJXDJO-JLLPCOHGSA-N 1 2 417.553 2.854 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)c3ncnn3C)csc2C1 ZINC000426662082 569073738 /nfs/dbraw/zinc/07/37/38/569073738.db2.gz IHUARCCCAKWAOY-GFCCVEGCSA-N 1 2 400.508 2.531 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)c3ncnn3C)csc2C1 ZINC000426662082 569073739 /nfs/dbraw/zinc/07/37/39/569073739.db2.gz IHUARCCCAKWAOY-GFCCVEGCSA-N 1 2 400.508 2.531 50 0 HFAALO CCCN1C(=O)[C@@H](C)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027197 569079850 /nfs/dbraw/zinc/07/98/50/569079850.db2.gz BFAUMYHBKAUNEL-GFCCVEGCSA-N 1 2 420.362 2.705 50 0 HFAALO COc1ccc(OC)c(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000064761559 569091345 /nfs/dbraw/zinc/09/13/45/569091345.db2.gz JIXTZFJDRXEKJG-UHFFFAOYSA-N 1 2 424.505 2.540 50 0 HFAALO CCNC(=O)N(CC[NH+]1CCOCC1)Cc1csc(COc2cccc(C)c2)n1 ZINC000036115136 569094183 /nfs/dbraw/zinc/09/41/83/569094183.db2.gz JIOGAJYXAIHTTA-UHFFFAOYSA-N 1 2 418.563 2.894 50 0 HFAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)NCc1ccc(OC)c(OC)c1)OCCO3 ZINC000064814340 569100397 /nfs/dbraw/zinc/10/03/97/569100397.db2.gz QQQVAYVCBPAQSP-UHFFFAOYSA-N 1 2 411.458 2.704 50 0 HFAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](C)O)nc(=O)c2c1C ZINC000036207208 569109640 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527174918 /nfs/dbraw/zinc/17/49/18/527174918.db2.gz WRIPMXCXXWSDMW-LJQANCHMSA-N 1 2 412.555 2.745 50 0 HFAALO O=C(Nc1ccccc1C(=O)N1CCOCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000044032595 527409069 /nfs/dbraw/zinc/40/90/69/527409069.db2.gz IPPMTZXLIOWRDI-UHFFFAOYSA-N 1 2 414.531 2.570 50 0 HFAALO O=c1n(CN2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)nc2n1CCCCC2 ZINC000032771181 527494821 /nfs/dbraw/zinc/49/48/21/527494821.db2.gz NXVDJFINNHWKRW-UHFFFAOYSA-N 1 2 424.574 2.670 50 0 HFAALO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000034729543 557432674 /nfs/dbraw/zinc/43/26/74/557432674.db2.gz OKMMHVVACUEWHE-UHFFFAOYSA-N 1 2 424.520 2.937 50 0 HFAALO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1)C1CC1 ZINC000022851572 557839164 /nfs/dbraw/zinc/83/91/64/557839164.db2.gz RXIMBLPRZSVPPM-FQEVSTJZSA-N 1 2 411.477 2.944 50 0 HFAALO O=C(CCN1C(=O)c2ccccc2C1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019731249 558259540 /nfs/dbraw/zinc/25/95/40/558259540.db2.gz ISSHSVQEYCGFRL-RMKNXTFCSA-N 1 2 403.482 2.530 50 0 HFAALO C[C@@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000019772664 558280373 /nfs/dbraw/zinc/28/03/73/558280373.db2.gz JUNQEISKSJTAOR-HNNXBMFYSA-N 1 2 411.889 2.669 50 0 HFAALO Cc1ccc(F)c(CNC(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)c1F ZINC000011844231 558289032 /nfs/dbraw/zinc/28/90/32/558289032.db2.gz DZGOZTSUIRXWJA-UHFFFAOYSA-N 1 2 406.481 2.588 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012073221 558318269 /nfs/dbraw/zinc/31/82/69/558318269.db2.gz FYNISAASYINGJU-HSZRJFAPSA-N 1 2 405.542 2.858 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000012073221 558318270 /nfs/dbraw/zinc/31/82/70/558318270.db2.gz FYNISAASYINGJU-HSZRJFAPSA-N 1 2 405.542 2.858 50 0 HFAALO O=C(c1cc2ncc(Br)cn2n1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020028613 558323122 /nfs/dbraw/zinc/32/31/22/558323122.db2.gz LWVURIZOFDXLMN-UHFFFAOYSA-N 1 2 418.270 2.589 50 0 HFAALO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)CC1 ZINC000020101849 558331970 /nfs/dbraw/zinc/33/19/70/558331970.db2.gz CTMWSVLNVTXNKE-MRXNPFEDSA-N 1 2 410.518 2.857 50 0 HFAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NCCCC2CCCC2)cc1 ZINC000012195067 558349072 /nfs/dbraw/zinc/34/90/72/558349072.db2.gz NEGBMLYEHUZFOB-OAQYLSRUSA-N 1 2 401.551 2.862 50 0 HFAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NCCCC2CCCC2)cc1 ZINC000012195067 558349075 /nfs/dbraw/zinc/34/90/75/558349075.db2.gz NEGBMLYEHUZFOB-OAQYLSRUSA-N 1 2 401.551 2.862 50 0 HFAALO CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NCCCC2CCCC2)cc1 ZINC000012195056 558349080 /nfs/dbraw/zinc/34/90/80/558349080.db2.gz NEGBMLYEHUZFOB-NRFANRHFSA-N 1 2 401.551 2.862 50 0 HFAALO CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NCCCC2CCCC2)cc1 ZINC000012195056 558349083 /nfs/dbraw/zinc/34/90/83/558349083.db2.gz NEGBMLYEHUZFOB-NRFANRHFSA-N 1 2 401.551 2.862 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)cc(OC)c1 ZINC000020452086 558366266 /nfs/dbraw/zinc/36/62/66/558366266.db2.gz GXQGVOXPEDOAAZ-IBGZPJMESA-N 1 2 414.502 2.501 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)cc(OC)c1 ZINC000020452086 558366267 /nfs/dbraw/zinc/36/62/67/558366267.db2.gz GXQGVOXPEDOAAZ-IBGZPJMESA-N 1 2 414.502 2.501 50 0 HFAALO CCOC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020513141 558382333 /nfs/dbraw/zinc/38/23/33/558382333.db2.gz JZUGPXMUTSKJRW-UHFFFAOYSA-N 1 2 403.504 2.762 50 0 HFAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N3CCCCCC3)CC2)c1C ZINC000022930776 558397287 /nfs/dbraw/zinc/39/72/87/558397287.db2.gz QUVRERDFDASGPD-HXUWFJFHSA-N 1 2 400.567 2.651 50 0 HFAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N3CCCCCC3)CC2)c1C ZINC000022930779 558397292 /nfs/dbraw/zinc/39/72/92/558397292.db2.gz QUVRERDFDASGPD-FQEVSTJZSA-N 1 2 400.567 2.651 50 0 HFAALO O=C(CCS[C@H]1CCc2ccccc2NC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000020721671 558403189 /nfs/dbraw/zinc/40/31/89/558403189.db2.gz ZLTIZSOAQCAARN-IBGZPJMESA-N 1 2 410.543 2.807 50 0 HFAALO O=C([C@@H]1CCC(=O)N(CCCc2ccccc2)C1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000012434324 558408124 /nfs/dbraw/zinc/40/81/24/558408124.db2.gz PUPFCJDPQRLUER-JOCHJYFZSA-N 1 2 408.546 2.993 50 0 HFAALO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](Cc2ccncc2)CC1 ZINC000012434869 558408630 /nfs/dbraw/zinc/40/86/30/558408630.db2.gz WNTLFOHFVIFMAU-UHFFFAOYSA-N 1 2 420.506 2.982 50 0 HFAALO C[N@H+](CC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1)Cc1ccccn1 ZINC000020907983 558421399 /nfs/dbraw/zinc/42/13/99/558421399.db2.gz ALFNXZFBYYLKMB-JOCHJYFZSA-N 1 2 403.473 2.635 50 0 HFAALO C[N@@H+](CC(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1)Cc1ccccn1 ZINC000020907983 558421401 /nfs/dbraw/zinc/42/14/01/558421401.db2.gz ALFNXZFBYYLKMB-JOCHJYFZSA-N 1 2 403.473 2.635 50 0 HFAALO O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022519654 558494538 /nfs/dbraw/zinc/49/45/38/558494538.db2.gz CQZJZHZEDQOKKY-UHFFFAOYSA-N 1 2 416.528 2.548 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000022914827 558521208 /nfs/dbraw/zinc/52/12/08/558521208.db2.gz KBDWVUDITUAEON-SLFFLAALSA-N 1 2 400.567 2.729 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000022932518 558524974 /nfs/dbraw/zinc/52/49/74/558524974.db2.gz VJRAIPHULKICAJ-FQEVSTJZSA-N 1 2 408.546 2.598 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000022935019 558525966 /nfs/dbraw/zinc/52/59/66/558525966.db2.gz HFZBPZOVLOEMMD-QGZVFWFLSA-N 1 2 406.958 2.606 50 0 HFAALO CCc1[nH+]c2ccccc2n1CC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 ZINC000023873317 558579160 /nfs/dbraw/zinc/57/91/60/558579160.db2.gz PFUSMSLPLLVYLW-JOCHJYFZSA-N 1 2 422.529 2.797 50 0 HFAALO Cc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)n1 ZINC000024835827 558616088 /nfs/dbraw/zinc/61/60/88/558616088.db2.gz WSMQMMATMYMNKI-CQSZACIVSA-N 1 2 415.519 2.664 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)cc3)cc2)CC1 ZINC000024989270 558625761 /nfs/dbraw/zinc/62/57/61/558625761.db2.gz QFKAXCZYJSHJBS-UHFFFAOYSA-N 1 2 401.532 2.502 50 0 HFAALO COc1ccc(CNC(=O)[C@H](C)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000025043479 558627832 /nfs/dbraw/zinc/62/78/32/558627832.db2.gz ITDLNAZMHASENV-SFHVURJKSA-N 1 2 411.550 2.744 50 0 HFAALO C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025289884 558637105 /nfs/dbraw/zinc/63/71/05/558637105.db2.gz KXXPGWRLHFVGPV-AWEZNQCLSA-N 1 2 420.307 2.764 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCN(c2ccccc2Cl)CC1 ZINC000026385935 558659937 /nfs/dbraw/zinc/65/99/37/558659937.db2.gz GCNNPMXNUVMXAL-UHFFFAOYSA-N 1 2 415.925 2.603 50 0 HFAALO Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000014573740 558661380 /nfs/dbraw/zinc/66/13/80/558661380.db2.gz NJUQMIJBPMFLIW-SFHVURJKSA-N 1 2 415.559 2.731 50 0 HFAALO O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1C[NH+](CCO)CCO ZINC000026921184 558667196 /nfs/dbraw/zinc/66/71/96/558667196.db2.gz MSJHMZLOHKQEMR-GZTJUZNOSA-N 1 2 422.890 2.880 50 0 HFAALO CC1CC[NH+](Cc2nnnn2CC(=O)N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000015062521 558705266 /nfs/dbraw/zinc/70/52/66/558705266.db2.gz BOHWMUOSFUWPCP-UHFFFAOYSA-N 1 2 410.444 2.582 50 0 HFAALO Cc1cc(=O)c(C(=O)N2CC[NH+](C)CC2)c(CCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000015066664 558709730 /nfs/dbraw/zinc/70/97/30/558709730.db2.gz SMDINIHYZJMXMF-NRFANRHFSA-N 1 2 423.557 2.509 50 0 HFAALO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(c3nnc(C4CC4)[nH]3)CC2)c1 ZINC000072282607 558713720 /nfs/dbraw/zinc/71/37/20/558713720.db2.gz ZCKIHOWIACQRRD-AWEZNQCLSA-N 1 2 413.522 2.756 50 0 HFAALO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(c3nc(C4CC4)n[nH]3)CC2)c1 ZINC000072282607 558713723 /nfs/dbraw/zinc/71/37/23/558713723.db2.gz ZCKIHOWIACQRRD-AWEZNQCLSA-N 1 2 413.522 2.756 50 0 HFAALO COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 ZINC000072282607 558713726 /nfs/dbraw/zinc/71/37/26/558713726.db2.gz ZCKIHOWIACQRRD-AWEZNQCLSA-N 1 2 413.522 2.756 50 0 HFAALO CC(C)N(C)C(=O)C1CC[NH+](Cn2c(=O)oc3cc(Br)ccc32)CC1 ZINC000029586545 558717245 /nfs/dbraw/zinc/71/72/45/558717245.db2.gz CSIZNINJQAGEEA-UHFFFAOYSA-N 1 2 410.312 2.893 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000030537126 558732045 /nfs/dbraw/zinc/73/20/45/558732045.db2.gz RJGJBQIXTVDNCP-GMAHTHKFSA-N 1 2 421.541 2.846 50 0 HFAALO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000015483149 558741215 /nfs/dbraw/zinc/74/12/15/558741215.db2.gz XDHVNTSHWGUXFD-UHFFFAOYSA-N 1 2 406.364 2.664 50 0 HFAALO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000015483149 558741217 /nfs/dbraw/zinc/74/12/17/558741217.db2.gz XDHVNTSHWGUXFD-UHFFFAOYSA-N 1 2 406.364 2.664 50 0 HFAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)NCCc1ccccc1 ZINC000004583889 558774344 /nfs/dbraw/zinc/77/43/44/558774344.db2.gz ZEWUODYTGYGQHK-UHFFFAOYSA-N 1 2 418.493 2.936 50 0 HFAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)NCCc1ccccc1 ZINC000004583889 558774346 /nfs/dbraw/zinc/77/43/46/558774346.db2.gz ZEWUODYTGYGQHK-UHFFFAOYSA-N 1 2 418.493 2.936 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[NH+]1CCN(c2ncccn2)CC1 ZINC000016390982 558789485 /nfs/dbraw/zinc/78/94/85/558789485.db2.gz UBKCQHMZJVHHAN-LBPRGKRZSA-N 1 2 411.840 2.881 50 0 HFAALO O=C1C[C@@H]([NH+]2CCC(Nc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1F ZINC000018217934 558833785 /nfs/dbraw/zinc/83/37/85/558833785.db2.gz FLSGHTFDKLSSET-GOSISDBHSA-N 1 2 411.433 2.763 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000019223866 558852436 /nfs/dbraw/zinc/85/24/36/558852436.db2.gz HBHGNRYINAEWPJ-CYBMUJFWSA-N 1 2 401.417 2.699 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1F)CC2 ZINC000019223866 558852439 /nfs/dbraw/zinc/85/24/39/558852439.db2.gz HBHGNRYINAEWPJ-CYBMUJFWSA-N 1 2 401.417 2.699 50 0 HFAALO CCn1cc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)cn1 ZINC000058016586 558895643 /nfs/dbraw/zinc/89/56/43/558895643.db2.gz FFTAEBQCPNHSKR-ZDUSSCGKSA-N 1 2 404.540 2.654 50 0 HFAALO CCn1cc(NC(=O)C2CC[NH+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)cn1 ZINC000058016588 558895706 /nfs/dbraw/zinc/89/57/06/558895706.db2.gz FFTAEBQCPNHSKR-CYBMUJFWSA-N 1 2 404.540 2.654 50 0 HFAALO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000058161806 558905714 /nfs/dbraw/zinc/90/57/14/558905714.db2.gz COBGIYQQGMAJPE-HXUWFJFHSA-N 1 2 408.546 2.981 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c1 ZINC000019551555 558915575 /nfs/dbraw/zinc/91/55/75/558915575.db2.gz FTBKIQURDHKWSS-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c(OC)c1 ZINC000019552360 558915873 /nfs/dbraw/zinc/91/58/73/558915873.db2.gz QNDUYQMRUQUWRT-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO CN(c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1)S(C)(=O)=O ZINC000065362420 558973223 /nfs/dbraw/zinc/97/32/23/558973223.db2.gz AVEVLOXJPRBMAX-UHFFFAOYSA-N 1 2 418.906 2.852 50 0 HFAALO Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996889 558982254 /nfs/dbraw/zinc/98/22/54/558982254.db2.gz GZYFTJBYYNKZFR-UHFFFAOYSA-N 1 2 405.495 2.692 50 0 HFAALO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1nc2c(s1)CCCC2 ZINC000097165649 558998557 /nfs/dbraw/zinc/99/85/57/558998557.db2.gz YXFCXMUOGQCPNY-GFCCVEGCSA-N 1 2 404.561 2.889 50 0 HFAALO Fc1ccc(C2(CNc3[nH+]cnc4c3cnn4-c3ncccn3)CCOCC2)cc1 ZINC000097020939 559017633 /nfs/dbraw/zinc/01/76/33/559017633.db2.gz VPYGVEMQOYMWEZ-UHFFFAOYSA-N 1 2 405.437 2.905 50 0 HFAALO C[C@H](C1CC1)N(C)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000072274081 559019054 /nfs/dbraw/zinc/01/90/54/559019054.db2.gz NFQZHLUFLPZRTL-CQSZACIVSA-N 1 2 412.347 2.963 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@H](NC(C)=O)C4)csc3C2)nc1 ZINC000426489916 559271905 /nfs/dbraw/zinc/27/19/05/559271905.db2.gz NRIYAHJVTVQNCF-SFHVURJKSA-N 1 2 412.559 2.614 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@H](NC(C)=O)C4)csc3C2)nc1 ZINC000426489916 559271907 /nfs/dbraw/zinc/27/19/07/559271907.db2.gz NRIYAHJVTVQNCF-SFHVURJKSA-N 1 2 412.559 2.614 50 0 HFAALO O=C(Nc1nc2c(s1)CCCC2)[C@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022872 560567473 /nfs/dbraw/zinc/56/74/73/560567473.db2.gz KWRGOHPNXDTYPE-AWEZNQCLSA-N 1 2 409.519 2.853 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)c1Cc1ccc(C)cc1 ZINC000096317580 560848809 /nfs/dbraw/zinc/84/88/09/560848809.db2.gz NWJDDVDTUAHCNL-FQEVSTJZSA-N 1 2 408.546 2.932 50 0 HFAALO COCC(=O)N1CCN(c2nc(C)[nH+]c(C(C)C)c2Cc2ccc(F)cc2)CC1 ZINC000096317702 560848837 /nfs/dbraw/zinc/84/88/37/560848837.db2.gz BDKRFXAAZPAUNR-UHFFFAOYSA-N 1 2 400.498 2.933 50 0 HFAALO COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@H]2CCCC[C@@H]21 ZINC000106086812 560884650 /nfs/dbraw/zinc/88/46/50/560884650.db2.gz SHTLINSDPSNVNV-JYBIWHBTSA-N 1 2 410.518 2.870 50 0 HFAALO O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907312 568415750 /nfs/dbraw/zinc/41/57/50/568415750.db2.gz SLPCVXQUOAJXJG-NRFANRHFSA-N 1 2 421.472 2.951 50 0 HFAALO O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907312 568415751 /nfs/dbraw/zinc/41/57/51/568415751.db2.gz SLPCVXQUOAJXJG-NRFANRHFSA-N 1 2 421.472 2.951 50 0 HFAALO O=C(c1ccccc1-n1cccn1)N1CCOc2ccc(C[NH+]3CCOCC3)cc2C1 ZINC000020910282 568431237 /nfs/dbraw/zinc/43/12/37/568431237.db2.gz RVQPPVPDBXUUPX-UHFFFAOYSA-N 1 2 418.497 2.739 50 0 HFAALO C[N@H+](CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000049574730 568452148 /nfs/dbraw/zinc/45/21/48/568452148.db2.gz GVKAQKMACBWMJH-WIYYLYMNSA-N 1 2 416.543 2.805 50 0 HFAALO C[N@@H+](CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000049574730 568452150 /nfs/dbraw/zinc/45/21/50/568452150.db2.gz GVKAQKMACBWMJH-WIYYLYMNSA-N 1 2 416.543 2.805 50 0 HFAALO COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604419272 568493060 /nfs/dbraw/zinc/49/30/60/568493060.db2.gz FNTVDILDEGKLRF-HNNXBMFYSA-N 1 2 417.412 2.801 50 0 HFAALO COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604419272 568493062 /nfs/dbraw/zinc/49/30/62/568493062.db2.gz FNTVDILDEGKLRF-HNNXBMFYSA-N 1 2 417.412 2.801 50 0 HFAALO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1Cl ZINC000033040187 568510757 /nfs/dbraw/zinc/51/07/57/568510757.db2.gz ZIDXEBUWPDLREM-CRAIPNDOSA-N 1 2 408.907 2.805 50 0 HFAALO CN1CC[NH+](C[C@@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CCO2)CC1 ZINC000095393107 568604216 /nfs/dbraw/zinc/60/42/16/568604216.db2.gz SUGOPCHGJYSLRP-GOSISDBHSA-N 1 2 409.559 2.811 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1C ZINC000020411267 568605234 /nfs/dbraw/zinc/60/52/34/568605234.db2.gz ZQSGZPRHFISODW-FQEVSTJZSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO C[C@H]1Sc2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2NC1=O ZINC000020509172 568620698 /nfs/dbraw/zinc/62/06/98/568620698.db2.gz YPMGPWVMCBIQTO-OAHLLOKOSA-N 1 2 417.556 2.626 50 0 HFAALO O=C(NCc1cccnc1)c1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000095476287 568630291 /nfs/dbraw/zinc/63/02/91/568630291.db2.gz QWJMHNVGTBRCBF-UHFFFAOYSA-N 1 2 416.485 2.761 50 0 HFAALO COc1ccc([C@H]2[C@@H](C(=O)NCCc3c[nH+]c[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479284 568632448 /nfs/dbraw/zinc/63/24/48/568632448.db2.gz WNEHNKWMYHWEQZ-SFTDATJTSA-N 1 2 404.470 2.688 50 0 HFAALO COc1ccc([C@H]2[C@@H](C(=O)NCCc3c[nH]c[nH+]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479284 568632450 /nfs/dbraw/zinc/63/24/50/568632450.db2.gz WNEHNKWMYHWEQZ-SFTDATJTSA-N 1 2 404.470 2.688 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611937 568637579 /nfs/dbraw/zinc/63/75/79/568637579.db2.gz QIMRYSYVBQAQQB-HXUWFJFHSA-N 1 2 402.454 2.598 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611937 568637581 /nfs/dbraw/zinc/63/75/81/568637581.db2.gz QIMRYSYVBQAQQB-HXUWFJFHSA-N 1 2 402.454 2.598 50 0 biogenic HFAALO CC(C)(C)OC(=O)N1CCO[C@H]([C@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)C1 ZINC000225566662 568651827 /nfs/dbraw/zinc/65/18/27/568651827.db2.gz OAAZPEJPUFQNAN-AZUAARDMSA-N 1 2 418.538 2.745 50 0 HFAALO O=C(c1[nH]nc2c1COc1ccccc1-2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021018452 568657861 /nfs/dbraw/zinc/65/78/61/568657861.db2.gz TUYRRJSFMPMFNX-UHFFFAOYSA-N 1 2 418.453 2.656 50 0 HFAALO CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000225670500 568662465 /nfs/dbraw/zinc/66/24/65/568662465.db2.gz CLSDMSCYZNHORI-INIZCTEOSA-N 1 2 408.543 2.912 50 0 HFAALO CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000225670500 568662466 /nfs/dbraw/zinc/66/24/66/568662466.db2.gz CLSDMSCYZNHORI-INIZCTEOSA-N 1 2 408.543 2.912 50 0 HFAALO Cc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(C[NH+](C)C)c1 ZINC000095995765 568678836 /nfs/dbraw/zinc/67/88/36/568678836.db2.gz XPQNPDIOIUJZCP-UHFFFAOYSA-N 1 2 422.981 2.976 50 0 HFAALO O=C(CCNC(=O)c1ccc(F)cc1F)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096288955 568719658 /nfs/dbraw/zinc/71/96/58/568719658.db2.gz SCKHHJUQOCTGAX-DAXSKMNVSA-N 1 2 413.468 2.942 50 0 HFAALO COCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2cccc(OC)c2)CC1 ZINC000096316904 568726052 /nfs/dbraw/zinc/72/60/52/568726052.db2.gz WBCNINXUUKOIIX-UHFFFAOYSA-N 1 2 410.518 2.557 50 0 HFAALO O=S(=O)(NC[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000056896337 568821079 /nfs/dbraw/zinc/82/10/79/568821079.db2.gz MZGZIIVGDPQAEY-HSZRJFAPSA-N 1 2 422.554 2.923 50 0 HFAALO Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000056998011 568822995 /nfs/dbraw/zinc/82/29/95/568822995.db2.gz BQMNAJPTOWYGEP-UHFFFAOYSA-N 1 2 412.509 2.628 50 0 HFAALO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O ZINC000002971706 568831934 /nfs/dbraw/zinc/83/19/34/568831934.db2.gz ZMNPTFSHNMRAKD-UHFFFAOYSA-N 1 2 416.547 2.626 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1ccc(F)cc1 ZINC000012535398 568845289 /nfs/dbraw/zinc/84/52/89/568845289.db2.gz GBFALXFKNCLTFH-HXUWFJFHSA-N 1 2 417.444 2.735 50 0 HFAALO CCOc1ccccc1C(=O)NCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012544721 568849415 /nfs/dbraw/zinc/84/94/15/568849415.db2.gz IZBVKBFOZXRRFN-HXUWFJFHSA-N 1 2 410.449 2.594 50 0 HFAALO COc1ccc(C(=O)NCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1 ZINC000012559890 568857295 /nfs/dbraw/zinc/85/72/95/568857295.db2.gz JUEBEILQBQLKFL-IBGZPJMESA-N 1 2 412.877 2.718 50 0 HFAALO CCOC(=O)c1c(NC(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)sc2c1CC[C@@H](C)C2 ZINC000003252577 568868152 /nfs/dbraw/zinc/86/81/52/568868152.db2.gz GOBPCWKPCYCKMX-OLZOCXBDSA-N 1 2 421.563 2.574 50 0 HFAALO COc1ccccc1N1CC[NH+]([C@@H](CNC(=O)c2ccco2)c2cccnc2)CC1 ZINC000058134048 568890009 /nfs/dbraw/zinc/89/00/09/568890009.db2.gz XBLQAZLPKSLIOW-FQEVSTJZSA-N 1 2 406.486 2.977 50 0 HFAALO O=C(NC1CCCC1)NC1CC[NH+](Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 ZINC000263616499 568910888 /nfs/dbraw/zinc/91/08/88/568910888.db2.gz JAYSTMYGHHZUOA-JOCHJYFZSA-N 1 2 424.549 2.756 50 0 HFAALO O=C(NC1CC[NH+](Cc2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1)C1CCC1 ZINC000263616387 568910895 /nfs/dbraw/zinc/91/08/95/568910895.db2.gz IKEAGRTZTUBAHE-OAQYLSRUSA-N 1 2 413.497 2.569 50 0 HFAALO O=C(NC1CC[NH+](Cc2nnn3c2CO[C@@H](c2ccccc2)C3)CC1)c1ccccc1 ZINC000263616908 568911268 /nfs/dbraw/zinc/91/12/68/568911268.db2.gz LDJYSNXOVAXZPT-HSZRJFAPSA-N 1 2 417.513 2.944 50 0 HFAALO CC1=C(C(N)=O)[C@H](c2ccccc2Cl)N2NC(c3ccc(N(C)C)cc3)=[NH+]C2=N1 ZINC000004189660 568929186 /nfs/dbraw/zinc/92/91/86/568929186.db2.gz RDZVINCIWOLQHZ-SFHVURJKSA-N 1 2 408.893 2.843 50 0 HFAALO C[C@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012785076 568959537 /nfs/dbraw/zinc/95/95/37/568959537.db2.gz UEUCKYCEUSHGGP-AWEZNQCLSA-N 1 2 407.405 2.706 50 0 HFAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 ZINC000004314044 568961323 /nfs/dbraw/zinc/96/13/23/568961323.db2.gz FUUMYKUEPMMFHF-JZUUQJBKSA-N 1 2 407.518 2.522 50 0 HFAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 ZINC000004314044 568961325 /nfs/dbraw/zinc/96/13/25/568961325.db2.gz FUUMYKUEPMMFHF-JZUUQJBKSA-N 1 2 407.518 2.522 50 0 HFAALO C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 ZINC000004314045 568961378 /nfs/dbraw/zinc/96/13/78/568961378.db2.gz FUUMYKUEPMMFHF-VEMDQMBVSA-N 1 2 407.518 2.522 50 0 HFAALO C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C/C=C/c1ccccc1 ZINC000004314045 568961379 /nfs/dbraw/zinc/96/13/79/568961379.db2.gz FUUMYKUEPMMFHF-VEMDQMBVSA-N 1 2 407.518 2.522 50 0 HFAALO Cc1ccc2onc(CNC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000015678479 568966502 /nfs/dbraw/zinc/96/65/02/568966502.db2.gz VMPXNUZLVYLPBA-UHFFFAOYSA-N 1 2 408.458 2.892 50 0 HFAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc(Cl)c1Cl ZINC000012821678 569005745 /nfs/dbraw/zinc/00/57/45/569005745.db2.gz YXVGOVFTNZSYLG-UHFFFAOYSA-N 1 2 402.303 2.704 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c(F)c1 ZINC000104368727 569008576 /nfs/dbraw/zinc/00/85/76/569008576.db2.gz CIQNPFUEESQFMS-GOSISDBHSA-N 1 2 404.482 2.617 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(O)c(OC)c3)C[C@H]2CCO)c(F)c1 ZINC000104368727 569008577 /nfs/dbraw/zinc/00/85/77/569008577.db2.gz CIQNPFUEESQFMS-GOSISDBHSA-N 1 2 404.482 2.617 50 0 HFAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000015865373 569016586 /nfs/dbraw/zinc/01/65/86/569016586.db2.gz NFRKNYFFJVNLQH-UHFFFAOYSA-N 1 2 411.889 2.905 50 0 HFAALO O=C(CSc1ncnc2ccsc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000012911628 569022016 /nfs/dbraw/zinc/02/20/16/569022016.db2.gz XUPRJGVBYJHVSG-UHFFFAOYSA-N 1 2 414.556 2.932 50 0 HFAALO CCOc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1OCC ZINC000016046948 569028304 /nfs/dbraw/zinc/02/83/04/569028304.db2.gz PUDASWFIWCQWFC-OAHLLOKOSA-N 1 2 424.501 2.530 50 0 HFAALO O=C([C@H](c1ccccc1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1 ZINC000053517380 569031210 /nfs/dbraw/zinc/03/12/10/569031210.db2.gz IKIBJFSFJMPHEQ-QFIPXVFZSA-N 1 2 420.513 2.567 50 0 HFAALO CCCN1C(=O)C(c2c(C)[nH]n(-c3ccccc3)c2=O)=C([n+]2ccc(C)c(C)c2)C1=O ZINC000006274119 569036801 /nfs/dbraw/zinc/03/68/01/569036801.db2.gz YPPPPXDQVMVGKB-UHFFFAOYSA-O 1 2 417.489 2.938 50 0 HFAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000035590440 569045374 /nfs/dbraw/zinc/04/53/74/569045374.db2.gz FBXJCSVTQUWISF-ZIAGYGMSSA-N 1 2 414.897 2.523 50 0 HFAALO C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000089420139 569060131 /nfs/dbraw/zinc/06/01/31/569060131.db2.gz AGYKNMVHDFIKKK-KRWDZBQOSA-N 1 2 406.958 2.687 50 0 HFAALO C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000035926942 569066514 /nfs/dbraw/zinc/06/65/14/569066514.db2.gz HQVLIKQYLLLBMN-UHFFFAOYSA-N 1 2 421.520 2.863 50 0 HFAALO C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000035926942 569066515 /nfs/dbraw/zinc/06/65/15/569066515.db2.gz HQVLIKQYLLLBMN-UHFFFAOYSA-N 1 2 421.520 2.863 50 0 HFAALO O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000035966851 569069237 /nfs/dbraw/zinc/06/92/37/569069237.db2.gz ZUIWSHRJWJXDJO-OLKYXYMISA-N 1 2 417.553 2.854 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC3(C(N)=O)CCCCC3)csc2C1 ZINC000426395905 569072652 /nfs/dbraw/zinc/07/26/52/569072652.db2.gz DXYPVQSTIHQIHS-UHFFFAOYSA-N 1 2 416.547 2.829 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC3(C(N)=O)CCCCC3)csc2C1 ZINC000426395905 569072653 /nfs/dbraw/zinc/07/26/53/569072653.db2.gz DXYPVQSTIHQIHS-UHFFFAOYSA-N 1 2 416.547 2.829 50 0 HFAALO Cc1nnc([C@@H](C)NC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC000426430723 569072929 /nfs/dbraw/zinc/07/29/29/569072929.db2.gz LDXFTPZEJSPRJM-LLVKDONJSA-N 1 2 400.508 2.829 50 0 HFAALO Cc1nnc([C@@H](C)NC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC000426430723 569072930 /nfs/dbraw/zinc/07/29/30/569072930.db2.gz LDXFTPZEJSPRJM-LLVKDONJSA-N 1 2 400.508 2.829 50 0 HFAALO Cc1nnc([C@H](C)NC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC000426430727 569072971 /nfs/dbraw/zinc/07/29/71/569072971.db2.gz LDXFTPZEJSPRJM-NSHDSACASA-N 1 2 400.508 2.829 50 0 HFAALO Cc1nnc([C@H](C)NC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)[nH]1 ZINC000426430727 569072972 /nfs/dbraw/zinc/07/29/72/569072972.db2.gz LDXFTPZEJSPRJM-NSHDSACASA-N 1 2 400.508 2.829 50 0 HFAALO O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCCCn1cc[nH+]c1 ZINC000006660764 569084962 /nfs/dbraw/zinc/08/49/62/569084962.db2.gz UEQJLJAVVPIZKI-GDNBJRDFSA-N 1 2 404.879 2.779 50 0 HFAALO C[C@@H](NC(=O)Cn1c[nH+]c2cc3c(cc21)OCCO3)c1ccc2c(c1)OCCCO2 ZINC000064794714 569096234 /nfs/dbraw/zinc/09/62/34/569096234.db2.gz SZVUCJSAPFSMME-CQSZACIVSA-N 1 2 409.442 2.846 50 0 HFAALO CC[C@@H](C)NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036252009 569119470 /nfs/dbraw/zinc/11/94/70/569119470.db2.gz BXXRBQDHJYTRHL-DYESRHJHSA-N 1 2 401.551 2.927 50 0 HFAALO O=C(c1ccccc1F)N1CC[NH+]([C@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251167 569119811 /nfs/dbraw/zinc/11/98/11/569119811.db2.gz DAXUEQJHGNYYIB-FQEVSTJZSA-N 1 2 419.566 2.718 50 0 HFAALO Cc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCSCC3)C3CCCC3)CC2)cc1 ZINC000036251155 569119883 /nfs/dbraw/zinc/11/98/83/569119883.db2.gz DVSKHUMDHSEOIA-NRFANRHFSA-N 1 2 415.603 2.887 50 0 HFAALO COc1ccccc1C(=O)N1CC[NH+]([C@H](C(=O)NCC(C)C)C2CCCC2)CC1 ZINC000036251523 569119976 /nfs/dbraw/zinc/11/99/76/569119976.db2.gz SFTCEYXQUQYBBV-NRFANRHFSA-N 1 2 401.551 2.784 50 0 HFAALO COc1ccc(CNC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1 ZINC000065034938 569158533 /nfs/dbraw/zinc/15/85/33/569158533.db2.gz AIKQRUWRPPWWNN-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO COc1ccc(CNC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)cc1 ZINC000065034938 569158535 /nfs/dbraw/zinc/15/85/35/569158535.db2.gz AIKQRUWRPPWWNN-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO Cc1ccc(N2C(=O)NC(=O)C(=C(NCCc3c[nH]c[nH+]3)c3ccccc3)C2=O)cc1 ZINC000006908827 569178770 /nfs/dbraw/zinc/17/87/70/569178770.db2.gz FMWHJYJMPPLLDT-FMQUCBEESA-N 1 2 415.453 2.545 50 0 HFAALO Cc1cc(C)cc(S(=O)(=O)N2CC[NH+](CCc3cn(C)c4ncccc34)CC2)c1 ZINC000065164761 569189392 /nfs/dbraw/zinc/18/93/92/569189392.db2.gz KPZORZVCURMIKG-UHFFFAOYSA-N 1 2 412.559 2.739 50 0 HFAALO Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000036614840 569206832 /nfs/dbraw/zinc/20/68/32/569206832.db2.gz UIUSFNFUURJMLI-UHFFFAOYSA-N 1 2 421.473 2.954 50 0 HFAALO CCOc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCC2)cc1OCC ZINC000065294992 569218672 /nfs/dbraw/zinc/21/86/72/569218672.db2.gz PAJWIWNIVQSBCE-UHFFFAOYSA-N 1 2 424.505 2.540 50 0 HFAALO COc1cc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCC(C)CC2)cc(OC)c1 ZINC000065295517 569218763 /nfs/dbraw/zinc/21/87/63/569218763.db2.gz LBFCSLYJJDAKJY-UHFFFAOYSA-N 1 2 410.478 2.719 50 0 HFAALO Cc1ccc([C@@H](CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)[NH+]2CCOCC2)s1 ZINC000089656332 569261988 /nfs/dbraw/zinc/26/19/88/569261988.db2.gz OJCNRLXETSXIQR-QGZVFWFLSA-N 1 2 413.499 2.808 50 0 HFAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000016916204 569267326 /nfs/dbraw/zinc/26/73/26/569267326.db2.gz HCUKPAISTZQEHC-UHFFFAOYSA-N 1 2 420.560 2.558 50 0 HFAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000016916204 569267327 /nfs/dbraw/zinc/26/73/27/569267327.db2.gz HCUKPAISTZQEHC-UHFFFAOYSA-N 1 2 420.560 2.558 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000089884954 569267743 /nfs/dbraw/zinc/26/77/43/569267743.db2.gz RVWWORIUSFMHLM-UHFFFAOYSA-N 1 2 416.909 2.653 50 0 HFAALO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921938 569268758 /nfs/dbraw/zinc/26/87/58/569268758.db2.gz YLCBFOSDRMFWQK-UZLBHIALSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921938 569268760 /nfs/dbraw/zinc/26/87/60/569268760.db2.gz YLCBFOSDRMFWQK-UZLBHIALSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(N3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000089921938 569268762 /nfs/dbraw/zinc/26/87/62/569268762.db2.gz YLCBFOSDRMFWQK-UZLBHIALSA-N 1 2 407.518 2.598 50 0 HFAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000002101338 569281524 /nfs/dbraw/zinc/28/15/24/569281524.db2.gz VIKQEQXSFNLLCB-UHFFFAOYSA-N 1 2 423.469 2.969 50 0 biogenic HFAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000002101338 569281526 /nfs/dbraw/zinc/28/15/26/569281526.db2.gz VIKQEQXSFNLLCB-UHFFFAOYSA-N 1 2 423.469 2.969 50 0 biogenic HFAALO CC(=O)N1CCN(C(=O)Cn2c(Cc3ccccc3)[nH+]c3cc(C)c(C)cc32)CC1 ZINC000037398485 569297006 /nfs/dbraw/zinc/29/70/06/569297006.db2.gz OMBDBXFHHMMRFU-UHFFFAOYSA-N 1 2 404.514 2.935 50 0 HFAALO COCC(=O)N1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3sc(C)cn23)CC1 ZINC000037399466 569297515 /nfs/dbraw/zinc/29/75/15/569297515.db2.gz JMYUNYSNMUHOJD-UHFFFAOYSA-N 1 2 402.495 2.801 50 0 HFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000015136018 569317270 /nfs/dbraw/zinc/31/72/70/569317270.db2.gz IUHYHCVUUVRGIY-UHFFFAOYSA-N 1 2 420.922 2.678 50 0 HFAALO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCOC[C@@H]1c1ncnn1-c1ccccc1 ZINC000253419413 569367836 /nfs/dbraw/zinc/36/78/36/569367836.db2.gz OXDBTDURYOQAHF-QGZVFWFLSA-N 1 2 404.478 2.740 50 0 HFAALO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(F)c1 ZINC000027590822 569375629 /nfs/dbraw/zinc/37/56/29/569375629.db2.gz JYBJUYWXRKKWFA-INIZCTEOSA-N 1 2 400.422 2.855 50 0 HFAALO Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328594954 569415886 /nfs/dbraw/zinc/41/58/86/569415886.db2.gz GPZUNFDMGAAZIL-IRXDYDNUSA-N 1 2 408.424 2.933 50 0 HFAALO Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328594954 569415888 /nfs/dbraw/zinc/41/58/88/569415888.db2.gz GPZUNFDMGAAZIL-IRXDYDNUSA-N 1 2 408.424 2.933 50 0 HFAALO CN(C(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1)C1CCCCC1 ZINC000028722390 571037765 /nfs/dbraw/zinc/03/77/65/571037765.db2.gz OUKBSDRWSWSMSU-UHFFFAOYSA-N 1 2 406.958 2.687 50 0 HFAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cn(Cc4ccccc4)nn3)CC2)cc1 ZINC000040040544 571142561 /nfs/dbraw/zinc/14/25/61/571142561.db2.gz YTVDACMYDPGGQH-UHFFFAOYSA-N 1 2 405.502 2.683 50 0 HFAALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1NS(C)(=O)=O ZINC000040059004 571146284 /nfs/dbraw/zinc/14/62/84/571146284.db2.gz WKZKEWVVLSMOGK-GOSISDBHSA-N 1 2 416.478 2.759 50 0 HFAALO COc1ccc([C@@H](NC(=O)NCCCN2CCCCCC2=O)c2[nH+]ccn2C)cc1 ZINC000040071875 571152492 /nfs/dbraw/zinc/15/24/92/571152492.db2.gz XNQKQSCGTJTKBY-HXUWFJFHSA-N 1 2 413.522 2.610 50 0 HFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000040088280 571158738 /nfs/dbraw/zinc/15/87/38/571158738.db2.gz GIWDCMNYNLSGFL-CQSZACIVSA-N 1 2 402.451 2.642 50 0 HFAALO O=C(NCCOc1cccc(F)c1)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000040089129 571159202 /nfs/dbraw/zinc/15/92/02/571159202.db2.gz BHAUZYNSBWBNCL-UHFFFAOYSA-N 1 2 415.446 2.830 50 0 HFAALO CN(C(=O)C1CC1)c1ccccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000040145070 571195333 /nfs/dbraw/zinc/19/53/33/571195333.db2.gz IKXBEEOWYSUJRH-UHFFFAOYSA-N 1 2 407.514 2.896 50 0 HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2)Nc1cccc(Cl)c1 ZINC000009526813 571265928 /nfs/dbraw/zinc/26/59/28/571265928.db2.gz MUQTVPFLWIVEHE-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO COc1ccccc1CN1C(SCc2ccccc2)=[NH+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000009530808 571266850 /nfs/dbraw/zinc/26/68/50/571266850.db2.gz WTCPXCIOXJRJAN-QZTJIDSGSA-N 1 2 402.541 2.966 50 0 HFAALO C[NH+](C)CCNC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013683365 571304515 /nfs/dbraw/zinc/30/45/15/571304515.db2.gz FYKLBRPXPIBGDI-UHFFFAOYSA-N 1 2 422.507 2.528 50 0 HFAALO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000077198058 571312704 /nfs/dbraw/zinc/31/27/04/571312704.db2.gz IVMPNXSYYHHSIH-UHFFFAOYSA-N 1 2 412.368 2.678 50 0 HFAALO O=[S@]1c2ccccc2N(CCC[NH+]2CCN(CCO)CC2)c2cc(Cl)ccc21 ZINC000022595372 571315303 /nfs/dbraw/zinc/31/53/03/571315303.db2.gz WXJXTMQMAOYROI-MUUNZHRXSA-N 1 2 419.978 2.958 50 0 HFAALO O=[S@@]1c2ccccc2N(CCC[NH+]2CCN(CCO)CC2)c2cc(Cl)ccc21 ZINC000022595367 571315311 /nfs/dbraw/zinc/31/53/11/571315311.db2.gz WXJXTMQMAOYROI-NDEPHWFRSA-N 1 2 419.978 2.958 50 0 HFAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2CCN(c3nc(C)cc(C)n3)CC2)cc1 ZINC000006760578 132315141 /nfs/dbraw/zinc/31/51/41/132315141.db2.gz HOSLKOQEIZGDBI-UHFFFAOYSA-N 1 2 414.517 2.916 50 0 HFAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000012514214 132361207 /nfs/dbraw/zinc/36/12/07/132361207.db2.gz ZUBJKNMTWHSDNE-UHFFFAOYSA-N 1 2 400.910 2.559 50 0 HFAALO Cc1cccc(N2CC[NH+](CC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000012515775 132361385 /nfs/dbraw/zinc/36/13/85/132361385.db2.gz KFFUKUDOJHANIE-UHFFFAOYSA-N 1 2 408.546 2.797 50 0 HFAALO COc1ccc(CNC(=S)NC[C@H](c2ccc(OC)cc2)[NH+]2CCOCC2)cc1 ZINC000032639079 524068454 /nfs/dbraw/zinc/06/84/54/524068454.db2.gz VCZJEJSCLSKWFT-OAQYLSRUSA-N 1 2 415.559 2.741 50 0 HFAALO Cc1cccc2[nH+]c(CSc3nnc(N4CCOCC4)n3C[C@@H]3CCCO3)cn21 ZINC000032778954 524989300 /nfs/dbraw/zinc/98/93/00/524989300.db2.gz FTNYFJODOYCOKD-KRWDZBQOSA-N 1 2 414.535 2.542 50 0 HFAALO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000032914582 525140243 /nfs/dbraw/zinc/14/02/43/525140243.db2.gz IUVNTLHKZBZUAO-UHFFFAOYSA-N 1 2 400.544 2.888 50 0 HFAALO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 ZINC000032914582 525140249 /nfs/dbraw/zinc/14/02/49/525140249.db2.gz IUVNTLHKZBZUAO-UHFFFAOYSA-N 1 2 400.544 2.888 50 0 HFAALO COc1ccc([C@@H](NC(=O)NCc2ccc3c(c2)OCCO3)c2[nH+]ccn2C)cc1 ZINC000032802571 525197228 /nfs/dbraw/zinc/19/72/28/525197228.db2.gz SMSSISWIANEHHV-HXUWFJFHSA-N 1 2 408.458 2.789 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000023805994 525954102 /nfs/dbraw/zinc/95/41/02/525954102.db2.gz VPERQVIAGZXJNE-QHCPKHFHSA-N 1 2 421.541 2.921 50 0 HFAALO Cc1cc(-c2nnc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)no1 ZINC000020538422 526057810 /nfs/dbraw/zinc/05/78/10/526057810.db2.gz ZYMZKZDNZTWWPY-VMPITWQZSA-N 1 2 407.474 2.823 50 0 HFAALO O=C(CCc1nnc(-c2ccc(F)c(Cl)c2)[nH]c1=O)NCC[NH+]1CCCCC1 ZINC000040426232 526661479 /nfs/dbraw/zinc/66/14/79/526661479.db2.gz WGVVROWJRHVILW-UHFFFAOYSA-N 1 2 407.877 2.571 50 0 HFAALO O=C(COc1coc(C[NH+]2CCSCC2)cc1=O)Nc1ccc(F)c(Cl)c1 ZINC000040283730 527002609 /nfs/dbraw/zinc/00/26/09/527002609.db2.gz MCJSKMGYRSYWKN-UHFFFAOYSA-N 1 2 412.870 2.999 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000027417575 527464746 /nfs/dbraw/zinc/46/47/46/527464746.db2.gz UKHXOHRMWHRIKZ-GOSISDBHSA-N 1 2 401.463 2.623 50 0 HFAALO CCOc1ccc2nc(N3CCC(C(=O)NCCCn4cc[nH+]c4)CC3)nc(C)c2c1 ZINC000012246462 535442496 /nfs/dbraw/zinc/44/24/96/535442496.db2.gz XJVAOSUJVNSRAM-UHFFFAOYSA-N 1 2 422.533 2.956 50 0 HFAALO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCn4cc[nH+]c4)C3)nc(C)c2c1 ZINC000011882369 535443942 /nfs/dbraw/zinc/44/39/42/535443942.db2.gz YVNYXBXCNYRZBI-KRWDZBQOSA-N 1 2 408.506 2.566 50 0 HFAALO COc1ccc(F)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000022785027 557820101 /nfs/dbraw/zinc/82/01/01/557820101.db2.gz MWJHDNMRFUWOKX-HNNXBMFYSA-N 1 2 415.465 2.708 50 0 HFAALO CCOc1ccc(OCC)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019771880 558280301 /nfs/dbraw/zinc/28/03/01/558280301.db2.gz LBUQIEDFHDJSHV-UHFFFAOYSA-N 1 2 404.532 2.991 50 0 HFAALO Cc1ccccc1C(=O)Nc1c(C(=O)N2CC[NH+](C)CC2)cnn1-c1ccccc1 ZINC000019791102 558282746 /nfs/dbraw/zinc/28/27/46/558282746.db2.gz SUZUQLICOLNVBH-UHFFFAOYSA-N 1 2 403.486 2.821 50 0 HFAALO CC[NH+]1CCN(CC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000019794854 558284040 /nfs/dbraw/zinc/28/40/40/558284040.db2.gz LOXSGRKDXXAGQV-KRWDZBQOSA-N 1 2 411.468 2.764 50 0 HFAALO Cn1cc[nH+]c1CN1CCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000019853388 558296134 /nfs/dbraw/zinc/29/61/34/558296134.db2.gz OFIFJTUYYKEXIM-UHFFFAOYSA-N 1 2 420.439 2.731 50 0 HFAALO COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019908646 558305908 /nfs/dbraw/zinc/30/59/08/558305908.db2.gz MYVDCKYDAGPECN-UHFFFAOYSA-N 1 2 417.893 2.663 50 0 HFAALO CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1nnnc1C[NH+]1CCCCCC1 ZINC000012024909 558309966 /nfs/dbraw/zinc/30/99/66/558309966.db2.gz JYCXNFPEEZHJLM-UHFFFAOYSA-N 1 2 410.444 2.727 50 0 HFAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020028919 558323351 /nfs/dbraw/zinc/32/33/51/558323351.db2.gz NJXUVINDJZLGMJ-LJQANCHMSA-N 1 2 401.869 2.929 50 0 HFAALO CCOC(=O)c1cnn(-c2cccc(F)c2)c1C[N@@H+]1CCC[C@H](c2nncn2C)C1 ZINC000020119336 558336836 /nfs/dbraw/zinc/33/68/36/558336836.db2.gz GIMIFIZJQRJCIU-HNNXBMFYSA-N 1 2 412.469 2.696 50 0 HFAALO CCOC(=O)c1cnn(-c2cccc(F)c2)c1C[N@H+]1CCC[C@H](c2nncn2C)C1 ZINC000020119336 558336837 /nfs/dbraw/zinc/33/68/37/558336837.db2.gz GIMIFIZJQRJCIU-HNNXBMFYSA-N 1 2 412.469 2.696 50 0 HFAALO CCC(NCCC[NH+](CC)CC)=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020332675 558356110 /nfs/dbraw/zinc/35/61/10/558356110.db2.gz LLGMMZJFYDRDEE-WUKNDPDISA-N 1 2 406.914 2.908 50 0 HFAALO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCCO)C[N@@H+](C)CC4)cc1 ZINC000020358309 558357848 /nfs/dbraw/zinc/35/78/48/558357848.db2.gz MCYUMALKBDQGKF-UHFFFAOYSA-N 1 2 403.529 2.528 50 0 HFAALO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCCO)C[N@H+](C)CC4)cc1 ZINC000020358309 558357849 /nfs/dbraw/zinc/35/78/49/558357849.db2.gz MCYUMALKBDQGKF-UHFFFAOYSA-N 1 2 403.529 2.528 50 0 HFAALO O=S(=O)(NCCC[NH+]1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020414230 558361120 /nfs/dbraw/zinc/36/11/20/558361120.db2.gz ZWVFMSCSOVHECJ-UHFFFAOYSA-N 1 2 420.375 2.725 50 0 HFAALO CN(Cc1cc[nH]n1)C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000020448678 558364145 /nfs/dbraw/zinc/36/41/45/558364145.db2.gz HEHOUOPIBOWBAE-VMPITWQZSA-N 1 2 420.517 2.501 50 0 HFAALO O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000020510003 558382387 /nfs/dbraw/zinc/38/23/87/558382387.db2.gz ZUIWSHRJWJXDJO-MOUTVQLLSA-N 1 2 417.553 2.854 50 0 HFAALO COc1ccccc1[C@H](C)N(C)C(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1 ZINC000012387575 558396464 /nfs/dbraw/zinc/39/64/64/558396464.db2.gz IVGOKDREFWRBKT-SFHVURJKSA-N 1 2 414.554 2.913 50 0 HFAALO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](C)C3 ZINC000020827279 558416917 /nfs/dbraw/zinc/41/69/17/558416917.db2.gz HPFNNMYQYRUSQR-UHFFFAOYSA-N 1 2 401.513 2.700 50 0 HFAALO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](C)C3 ZINC000020827279 558416921 /nfs/dbraw/zinc/41/69/21/558416921.db2.gz HPFNNMYQYRUSQR-UHFFFAOYSA-N 1 2 401.513 2.700 50 0 HFAALO C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000020992271 558426104 /nfs/dbraw/zinc/42/61/04/558426104.db2.gz DKAMZZGTLSLPJV-AWEZNQCLSA-N 1 2 412.444 2.501 50 0 HFAALO C[C@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1F)CC2 ZINC000020992271 558426107 /nfs/dbraw/zinc/42/61/07/558426107.db2.gz DKAMZZGTLSLPJV-AWEZNQCLSA-N 1 2 412.444 2.501 50 0 HFAALO C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021253213 558434386 /nfs/dbraw/zinc/43/43/86/558434386.db2.gz KQUMHLWVXBRZBY-ZDUSSCGKSA-N 1 2 413.469 2.659 50 0 HFAALO c1ccc2c(c1)ncnc2N1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000012711110 558452485 /nfs/dbraw/zinc/45/24/85/558452485.db2.gz TZPGZYZNLVSZFX-UHFFFAOYSA-N 1 2 416.441 2.731 50 0 HFAALO O=C(CN1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1Cl ZINC000022786274 558511112 /nfs/dbraw/zinc/51/11/12/558511112.db2.gz XYICUINSYSHHNA-MRXNPFEDSA-N 1 2 401.894 2.736 50 0 HFAALO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000022796844 558512169 /nfs/dbraw/zinc/51/21/69/558512169.db2.gz BFZNHUADZNYQLI-FQEVSTJZSA-N 1 2 400.567 2.651 50 0 HFAALO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000013098097 558513874 /nfs/dbraw/zinc/51/38/74/558513874.db2.gz AJXVZWHRAFMHPA-DEOSSOPVSA-N 1 2 404.514 2.722 50 0 HFAALO COc1ccc2c(c1)CCC[C@]21NC(=O)N(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000013098108 558513899 /nfs/dbraw/zinc/51/38/99/558513899.db2.gz XQNOCYCTKPSWOJ-DEOSSOPVSA-N 1 2 420.513 2.558 50 0 HFAALO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000022912804 558519977 /nfs/dbraw/zinc/51/99/77/558519977.db2.gz KFDXYDIIKGXAEJ-HNNXBMFYSA-N 1 2 417.941 2.507 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022914563 558521146 /nfs/dbraw/zinc/52/11/46/558521146.db2.gz YBXFAQITNYETKX-INIZCTEOSA-N 1 2 424.948 2.826 50 0 HFAALO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000022917134 558521906 /nfs/dbraw/zinc/52/19/06/558521906.db2.gz BLDFITVBSALLHA-ROUUACIJSA-N 1 2 412.509 2.648 50 0 HFAALO O=C(C[NH+]1CCN(Cc2c(-c3ccccc3)nc3ccccn32)CC1)N1CCCC1 ZINC000022926855 558523439 /nfs/dbraw/zinc/52/34/39/558523439.db2.gz RMKHELWKQJLHME-UHFFFAOYSA-N 1 2 403.530 2.741 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000022935022 558526099 /nfs/dbraw/zinc/52/60/99/558526099.db2.gz HFZBPZOVLOEMMD-KRWDZBQOSA-N 1 2 406.958 2.606 50 0 HFAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 ZINC000023674341 558567029 /nfs/dbraw/zinc/56/70/29/558567029.db2.gz FNWQIJOQNVATJS-QGZVFWFLSA-N 1 2 401.463 2.532 50 0 HFAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 ZINC000023674341 558567033 /nfs/dbraw/zinc/56/70/33/558567033.db2.gz FNWQIJOQNVATJS-QGZVFWFLSA-N 1 2 401.463 2.532 50 0 HFAALO O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000023762873 558575032 /nfs/dbraw/zinc/57/50/32/558575032.db2.gz GAGZXGQOFIWYFZ-JOCHJYFZSA-N 1 2 407.514 2.546 50 0 HFAALO O=C(c1cccc(N2CCCC2=O)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023995112 558584063 /nfs/dbraw/zinc/58/40/63/558584063.db2.gz KWLXRLIEUUXKGH-UHFFFAOYSA-N 1 2 405.498 2.706 50 0 HFAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c(OC)c1OC ZINC000024209647 558592374 /nfs/dbraw/zinc/59/23/74/558592374.db2.gz VISMZOYTERFLDE-UHFFFAOYSA-N 1 2 412.486 2.605 50 0 HFAALO C[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000013814680 558596042 /nfs/dbraw/zinc/59/60/42/558596042.db2.gz GLRVOVISPDQZQJ-AWEZNQCLSA-N 1 2 415.925 2.510 50 0 HFAALO C[C@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000013814680 558596044 /nfs/dbraw/zinc/59/60/44/558596044.db2.gz GLRVOVISPDQZQJ-AWEZNQCLSA-N 1 2 415.925 2.510 50 0 HFAALO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000024712232 558608396 /nfs/dbraw/zinc/60/83/96/558608396.db2.gz XXPCENSVHVUFFQ-UHFFFAOYSA-N 1 2 417.513 2.533 50 0 HFAALO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000024712232 558608398 /nfs/dbraw/zinc/60/83/98/558608398.db2.gz XXPCENSVHVUFFQ-UHFFFAOYSA-N 1 2 417.513 2.533 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)Cc3ccc(OC)c(F)c3)CC2)c1 ZINC000014165046 558626582 /nfs/dbraw/zinc/62/65/82/558626582.db2.gz YHLROVRCKQVDGY-UHFFFAOYSA-N 1 2 402.466 2.738 50 0 HFAALO Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000025637967 558646297 /nfs/dbraw/zinc/64/62/97/558646297.db2.gz OVNVAQPJHMZNCV-UHFFFAOYSA-N 1 2 418.541 2.965 50 0 HFAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000022934221 558654463 /nfs/dbraw/zinc/65/44/63/558654463.db2.gz UDKBVGUCFVYIQY-LJQANCHMSA-N 1 2 400.567 2.697 50 0 HFAALO C[C@@H]1CCCN(S(=O)(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000027964652 558685313 /nfs/dbraw/zinc/68/53/13/558685313.db2.gz RWUBHIOCMGDXRH-OAHLLOKOSA-N 1 2 405.486 2.800 50 0 HFAALO CCn1cc[nH+]c1CN(C)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000015063576 558706175 /nfs/dbraw/zinc/70/61/75/558706175.db2.gz UDMVCGBWBBPRIP-UHFFFAOYSA-N 1 2 410.518 2.955 50 0 HFAALO COc1cccc([C@@H](NC(=O)NCc2ccc3c(c2)OCCO3)c2[nH+]ccn2C)c1 ZINC000029323380 558713439 /nfs/dbraw/zinc/71/34/39/558713439.db2.gz FJZBDGBYOLKEGI-HXUWFJFHSA-N 1 2 408.458 2.789 50 0 HFAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cn4ccccc4=O)o3)CC2)cc1 ZINC000029416339 558714908 /nfs/dbraw/zinc/71/49/08/558714908.db2.gz QPGAVHNIONVFIZ-UHFFFAOYSA-N 1 2 421.497 2.846 50 0 HFAALO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH+]2CCSCC2)C[C@H](C)O1 ZINC000015079326 558718398 /nfs/dbraw/zinc/71/83/98/558718398.db2.gz DFILLGDTIYMCKQ-OKILXGFUSA-N 1 2 408.955 2.786 50 0 HFAALO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C)Cc1cccc(O)c1 ZINC000072308179 558768848 /nfs/dbraw/zinc/76/88/48/558768848.db2.gz BZJJUBJNJUGQFV-UHFFFAOYSA-N 1 2 408.458 2.825 50 0 HFAALO CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000072308179 558768850 /nfs/dbraw/zinc/76/88/50/558768850.db2.gz BZJJUBJNJUGQFV-UHFFFAOYSA-N 1 2 408.458 2.825 50 0 HFAALO CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000035354316 558790330 /nfs/dbraw/zinc/79/03/30/558790330.db2.gz PDYCCCVVRQIIHF-FQEVSTJZSA-N 1 2 401.532 2.755 50 0 HFAALO COc1ccc([C@@H](NC(=O)CN2C(=O)CSc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000016475963 558793421 /nfs/dbraw/zinc/79/34/21/558793421.db2.gz YLIXMGSYOCNXGT-OAQYLSRUSA-N 1 2 422.510 2.773 50 0 HFAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccc(OC)c(OC)c2OC)c1C ZINC000016561835 558795859 /nfs/dbraw/zinc/79/58/59/558795859.db2.gz OZMOQBRKQZEGHN-UHFFFAOYSA-N 1 2 404.463 2.759 50 0 HFAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2OC)c1C ZINC000016561835 558795860 /nfs/dbraw/zinc/79/58/60/558795860.db2.gz OZMOQBRKQZEGHN-UHFFFAOYSA-N 1 2 404.463 2.759 50 0 HFAALO CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036107566 558797819 /nfs/dbraw/zinc/79/78/19/558797819.db2.gz PSQHQXRQQGUMMJ-UHFFFAOYSA-N 1 2 417.531 2.664 50 0 HFAALO COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)c1 ZINC000036182150 558798168 /nfs/dbraw/zinc/79/81/68/558798168.db2.gz GYBRWYGHTJXDSF-NVXWUHKLSA-N 1 2 423.439 2.940 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+](C)Cc2cccc3cnccc32)n1CCOC ZINC000055196079 558875487 /nfs/dbraw/zinc/87/54/87/558875487.db2.gz RZKKEVQFHKZNHS-UHFFFAOYSA-N 1 2 402.520 2.503 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+](C)Cc2cccc3cnccc32)n1CCOC ZINC000055196079 558875489 /nfs/dbraw/zinc/87/54/89/558875489.db2.gz RZKKEVQFHKZNHS-UHFFFAOYSA-N 1 2 402.520 2.503 50 0 HFAALO Cc1[nH]c2ccccc2c1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019372222 558879562 /nfs/dbraw/zinc/87/95/62/558879562.db2.gz LDCRRQYCOINPMB-UHFFFAOYSA-N 1 2 406.486 2.961 50 0 HFAALO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058161299 558905533 /nfs/dbraw/zinc/90/55/33/558905533.db2.gz FIELSLGMFBMXBK-OAHLLOKOSA-N 1 2 401.894 2.896 50 0 HFAALO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000058164497 558906663 /nfs/dbraw/zinc/90/66/63/558906663.db2.gz CAAGXIUZSXCXJV-HNNXBMFYSA-N 1 2 401.894 2.896 50 0 HFAALO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058402010 558924118 /nfs/dbraw/zinc/92/41/18/558924118.db2.gz AQJSWVWWNGNVLX-GTNSWQLSSA-N 1 2 402.248 2.942 50 0 HFAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)Nc1cccc(C(F)(F)F)c1 ZINC000072140608 558929177 /nfs/dbraw/zinc/92/91/77/558929177.db2.gz RSWASONCZBXZCM-UHFFFAOYSA-N 1 2 410.400 2.566 50 0 HFAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)Nc1cccc(C(F)(F)F)c1 ZINC000072140608 558929180 /nfs/dbraw/zinc/92/91/80/558929180.db2.gz RSWASONCZBXZCM-UHFFFAOYSA-N 1 2 410.400 2.566 50 0 HFAALO COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004726090 558930626 /nfs/dbraw/zinc/93/06/26/558930626.db2.gz ZFDBSDNWHLPBAN-PGMHBOJBSA-N 1 2 404.470 2.869 50 0 HFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@H](C)Oc4ccccc4)CC3)[nH+]c(C)n2)n1 ZINC000065361797 558972542 /nfs/dbraw/zinc/97/25/42/558972542.db2.gz WBFLTNAAKHRYKE-SFHVURJKSA-N 1 2 420.517 2.704 50 0 HFAALO O=C(c1ccccc1-c1ccccc1)N1CCn2nc(C[N@H+]3CC[C@H](O)C3)cc2C1 ZINC000072474033 558983559 /nfs/dbraw/zinc/98/35/59/558983559.db2.gz FELUIKJYDFUGOE-NRFANRHFSA-N 1 2 402.498 2.773 50 0 HFAALO O=C(c1ccccc1-c1ccccc1)N1CCn2nc(C[N@@H+]3CC[C@H](O)C3)cc2C1 ZINC000072474033 558983560 /nfs/dbraw/zinc/98/35/60/558983560.db2.gz FELUIKJYDFUGOE-NRFANRHFSA-N 1 2 402.498 2.773 50 0 HFAALO Cc1cccc2[nH+]c(CNC(=O)C(=O)Nc3ncc(Cc4ccccc4)s3)cn21 ZINC000097117470 558996065 /nfs/dbraw/zinc/99/60/65/558996065.db2.gz UOPAJPMAPYEEDA-UHFFFAOYSA-N 1 2 405.483 2.945 50 0 HFAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000036451027 559015201 /nfs/dbraw/zinc/01/52/01/559015201.db2.gz QZPOCGXXXMYAJN-OAQYLSRUSA-N 1 2 415.497 2.766 50 0 HFAALO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2=O)cc1 ZINC000084923916 559056137 /nfs/dbraw/zinc/05/61/37/559056137.db2.gz LEXWPPYIDVDNQH-OAQYLSRUSA-N 1 2 423.513 2.938 50 0 HFAALO CC(C)c1ccc(-c2noc(CN3CC[NH+](CC(=O)N4CCCCC4)CC3)n2)cc1 ZINC000023266888 559074386 /nfs/dbraw/zinc/07/43/86/559074386.db2.gz UXFVMFDGIQPASG-UHFFFAOYSA-N 1 2 411.550 2.990 50 0 HFAALO CC(C)Cc1nc(-c2ccc(C[NH+]3CCN(C(=O)c4cnccn4)CC3)cc2)no1 ZINC000023306222 559109015 /nfs/dbraw/zinc/10/90/15/559109015.db2.gz FPFYLNGDNPWQDU-UHFFFAOYSA-N 1 2 406.490 2.683 50 0 HFAALO Cc1nnc2c(NCC[NH+]3CCOCC3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000023528862 559176726 /nfs/dbraw/zinc/17/67/26/559176726.db2.gz HIPXPDYSMPKLAE-UHFFFAOYSA-N 1 2 416.485 2.561 50 0 HFAALO Cc1ccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011695764 559188958 /nfs/dbraw/zinc/18/89/58/559188958.db2.gz SNMDHIXPFRLYFS-UHFFFAOYSA-N 1 2 419.485 2.670 50 0 HFAALO N=c1c2c(ncn1CC[NH+]1CCOCC1)Oc1cc(O)ccc1[C@@H]2c1ccccc1 ZINC000005164555 559276800 /nfs/dbraw/zinc/27/68/00/559276800.db2.gz KMJFBDNOKIBSSG-FQEVSTJZSA-N 1 2 404.470 2.686 50 0 HFAALO O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000016527362 560636735 /nfs/dbraw/zinc/63/67/35/560636735.db2.gz JBDOJIGHMKLOHY-UHFFFAOYSA-N 1 2 422.510 2.845 50 0 HFAALO Cc1cccc(-c2nn3c(nc(C[NH+]4CCN(c5ccc(F)cc5)CC4)cc3=O)[nH]2)c1 ZINC000101748026 560800276 /nfs/dbraw/zinc/80/02/76/560800276.db2.gz FEMJOCQEOYGCTD-UHFFFAOYSA-N 1 2 418.476 2.854 50 0 HFAALO CC(C)COC[C@H](O)C[N@@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000105022801 560860220 /nfs/dbraw/zinc/86/02/20/560860220.db2.gz LGAIMUBKPTYZNE-YADHBBJMSA-N 1 2 424.557 2.658 50 0 HFAALO CC(C)COC[C@H](O)C[N@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000105022801 560860221 /nfs/dbraw/zinc/86/02/21/560860221.db2.gz LGAIMUBKPTYZNE-YADHBBJMSA-N 1 2 424.557 2.658 50 0 HFAALO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cc2cccc(OC)c2o1 ZINC000019852382 560876326 /nfs/dbraw/zinc/87/63/26/560876326.db2.gz JEQUVTWAMBEAFF-UHFFFAOYSA-N 1 2 415.519 2.586 50 0 HFAALO CC[N@@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000107068754 560895190 /nfs/dbraw/zinc/89/51/90/560895190.db2.gz JAVQNRNFSFVRJA-KNQAVFIVSA-N 1 2 410.514 2.868 50 0 HFAALO CC[N@H+]1CCO[C@H](C(=O)O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000107068754 560895191 /nfs/dbraw/zinc/89/51/91/560895191.db2.gz JAVQNRNFSFVRJA-KNQAVFIVSA-N 1 2 410.514 2.868 50 0 HFAALO O=C(Cc1csc(Cc2ccccn2)n1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000048314391 568437923 /nfs/dbraw/zinc/43/79/23/568437923.db2.gz DXQCMEZQFQXRMF-OAQYLSRUSA-N 1 2 422.554 2.689 50 0 HFAALO O=C(Cc1csc(Cc2ccccn2)n1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000048314391 568437924 /nfs/dbraw/zinc/43/79/24/568437924.db2.gz DXQCMEZQFQXRMF-OAQYLSRUSA-N 1 2 422.554 2.689 50 0 HFAALO Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000048323968 568438136 /nfs/dbraw/zinc/43/81/36/568438136.db2.gz AMFMJWXIWSPVOQ-CYBMUJFWSA-N 1 2 410.565 2.597 50 0 HFAALO Cc1ncc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000048323968 568438137 /nfs/dbraw/zinc/43/81/37/568438137.db2.gz AMFMJWXIWSPVOQ-CYBMUJFWSA-N 1 2 410.565 2.597 50 0 HFAALO CC(C)c1ccc(N2CCN(CC(=O)N3CC[NH+](Cc4cccnc4)CC3)C2=O)cc1 ZINC000049026392 568445534 /nfs/dbraw/zinc/44/55/34/568445534.db2.gz GTAYCCDCMXALJE-UHFFFAOYSA-N 1 2 421.545 2.791 50 0 HFAALO COc1ccc(CNC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)cc1 ZINC000049411264 568450034 /nfs/dbraw/zinc/45/00/34/568450034.db2.gz PTQAXUOGPPSCJB-UHFFFAOYSA-N 1 2 406.490 2.837 50 0 HFAALO O=C(c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1)N1CCN(c2ccccc2)CC1 ZINC000049411175 568450054 /nfs/dbraw/zinc/45/00/54/568450054.db2.gz VSSVLJVPZQURRZ-UHFFFAOYSA-N 1 2 417.517 2.615 50 0 HFAALO Cc1ccc(N2C[C@H](C(=O)N3CC([N@@H+]4CCc5sccc5C4)C3)CC2=O)cc1C ZINC000390827525 568591441 /nfs/dbraw/zinc/59/14/41/568591441.db2.gz HHBCDCRPAIYMGC-GOSISDBHSA-N 1 2 409.555 2.987 50 0 HFAALO Cc1ccc(N2C[C@H](C(=O)N3CC([N@H+]4CCc5sccc5C4)C3)CC2=O)cc1C ZINC000390827525 568591442 /nfs/dbraw/zinc/59/14/42/568591442.db2.gz HHBCDCRPAIYMGC-GOSISDBHSA-N 1 2 409.555 2.987 50 0 HFAALO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccn1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308110 568598144 /nfs/dbraw/zinc/59/81/44/568598144.db2.gz LNOGDENLEVDULI-OAQYLSRUSA-N 1 2 419.481 2.764 50 0 HFAALO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095393802 568604418 /nfs/dbraw/zinc/60/44/18/568604418.db2.gz GUHHVUBQXVWNST-UHFFFAOYSA-N 1 2 401.894 2.510 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c(C)c1 ZINC000020412340 568605403 /nfs/dbraw/zinc/60/54/03/568605403.db2.gz KZMAMVBEMLIXLI-FQEVSTJZSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO COc1ccc([C@@H]2[C@H](C(=O)NCCc3c[nH+]c[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479281 568632404 /nfs/dbraw/zinc/63/24/04/568632404.db2.gz WNEHNKWMYHWEQZ-NHCUHLMSSA-N 1 2 404.470 2.688 50 0 HFAALO COc1ccc([C@@H]2[C@H](C(=O)NCCc3c[nH]c[nH+]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479281 568632405 /nfs/dbraw/zinc/63/24/05/568632405.db2.gz WNEHNKWMYHWEQZ-NHCUHLMSSA-N 1 2 404.470 2.688 50 0 HFAALO COc1cccc(C(=O)N2CC[NH+](Cc3cc(=O)oc4ccc(OC)cc34)CC2)c1 ZINC000020869490 568647401 /nfs/dbraw/zinc/64/74/01/568647401.db2.gz KKBJWNDQARXDLH-UHFFFAOYSA-N 1 2 408.454 2.768 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC000095956560 568669543 /nfs/dbraw/zinc/66/95/43/568669543.db2.gz CQMKIAHCYXRTQB-KRWDZBQOSA-N 1 2 403.504 2.837 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1C ZINC000095956560 568669545 /nfs/dbraw/zinc/66/95/45/568669545.db2.gz CQMKIAHCYXRTQB-KRWDZBQOSA-N 1 2 403.504 2.837 50 0 HFAALO Cc1cc2[nH+]cn(C[C@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C ZINC000225835605 568679245 /nfs/dbraw/zinc/67/92/45/568679245.db2.gz AVKXJJPNFZBAAI-GAJHUEQPSA-N 1 2 405.454 2.835 50 0 HFAALO O=C(c1cc(=O)[nH]c2ccc(Br)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000096097174 568689477 /nfs/dbraw/zinc/68/94/77/568689477.db2.gz BGYFMKZCFUTNCA-UHFFFAOYSA-N 1 2 413.275 2.648 50 0 HFAALO COc1ccc(CN2C[C@H](C(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)CC2=O)cc1OC ZINC000096223279 568706078 /nfs/dbraw/zinc/70/60/78/568706078.db2.gz RKVAXWFISGXVPA-OAHLLOKOSA-N 1 2 408.458 2.876 50 0 HFAALO CCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NC(=O)c3ccco3)ccc21 ZINC000096276416 568715280 /nfs/dbraw/zinc/71/52/80/568715280.db2.gz LSRKEIJNPLXYJJ-UHFFFAOYSA-N 1 2 410.474 2.569 50 0 HFAALO C[C@H](Sc1nnnn1C1CCCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021972504 568764141 /nfs/dbraw/zinc/76/41/41/568764141.db2.gz BRPZZCQZCABEAI-INIZCTEOSA-N 1 2 400.552 2.613 50 0 HFAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000052537661 568769707 /nfs/dbraw/zinc/76/97/07/568769707.db2.gz POROXMPSLLPDCC-UHFFFAOYSA-N 1 2 414.937 2.937 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 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CMRLHUKJQSRRKV-LEWJYISDSA-N 1 2 402.502 2.935 50 0 HFAALO O=C(N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1CCN(c2ncccn2)CC1 ZINC000078733209 569420102 /nfs/dbraw/zinc/42/01/02/569420102.db2.gz CMRLHUKJQSRRKV-SFTDATJTSA-N 1 2 402.502 2.935 50 0 HFAALO CO[C@H](C)c1nc(CN2CCC[N@H+](CC(=O)N3CCc4ccccc43)CC2)cs1 ZINC000079053474 569425857 /nfs/dbraw/zinc/42/58/57/569425857.db2.gz ZRDRNZIICNAALB-QGZVFWFLSA-N 1 2 414.575 2.948 50 0 HFAALO CO[C@H](C)c1nc(CN2CCC[N@@H+](CC(=O)N3CCc4ccccc43)CC2)cs1 ZINC000079053474 569425858 /nfs/dbraw/zinc/42/58/58/569425858.db2.gz ZRDRNZIICNAALB-QGZVFWFLSA-N 1 2 414.575 2.948 50 0 HFAALO C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(Cl)cc2)n(C)c1=O ZINC000008706172 571103456 /nfs/dbraw/zinc/10/34/56/571103456.db2.gz HCXZUPLIBMWGQM-SNAWJCMRSA-N 1 2 412.881 2.522 50 0 HFAALO CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2cccc(Cl)c2)n(C)c1=O ZINC000008706088 571103578 /nfs/dbraw/zinc/10/35/78/571103578.db2.gz XKAVOZKBRSWUIV-LBPRGKRZSA-N 1 2 400.870 2.527 50 0 HFAALO O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040049219 571143390 /nfs/dbraw/zinc/14/33/90/571143390.db2.gz YMCONRSPRWFHJA-UHFFFAOYSA-N 1 2 403.891 2.675 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000040071236 571152063 /nfs/dbraw/zinc/15/20/63/571152063.db2.gz QSFLKTOPPXEXIH-FOIQADDNSA-N 1 2 408.458 2.657 50 0 HFAALO COc1cc(NC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(OC)cc1Cl ZINC000040103653 571164182 /nfs/dbraw/zinc/16/41/82/571164182.db2.gz WUVSZMNQXGLITG-UHFFFAOYSA-N 1 2 406.870 2.911 50 0 HFAALO O=C(c1ccc2nc3n(c2c1)CCC3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000040119051 571175038 /nfs/dbraw/zinc/17/50/38/571175038.db2.gz LHWVGVMBTFXORW-UHFFFAOYSA-N 1 2 404.470 2.669 50 0 HFAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000040120482 571176543 /nfs/dbraw/zinc/17/65/43/571176543.db2.gz CKAIIMYNBASWID-GOSISDBHSA-N 1 2 411.550 2.577 50 0 HFAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000245237028 571219359 /nfs/dbraw/zinc/21/93/59/571219359.db2.gz CEESBFBRJHWTTG-FCHUYYIVSA-N 1 2 420.513 2.713 50 0 HFAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000245237028 571219361 /nfs/dbraw/zinc/21/93/61/571219361.db2.gz CEESBFBRJHWTTG-FCHUYYIVSA-N 1 2 420.513 2.713 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@H]1CC ZINC000245265749 571221842 /nfs/dbraw/zinc/22/18/42/571221842.db2.gz HQXXKCOKIKHIKM-RDJZCZTQSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@H]1CC ZINC000245265749 571221844 /nfs/dbraw/zinc/22/18/44/571221844.db2.gz HQXXKCOKIKHIKM-RDJZCZTQSA-N 1 2 415.490 2.503 50 0 HFAALO Cc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2 ZINC000009526850 571265912 /nfs/dbraw/zinc/26/59/12/571265912.db2.gz BLIASHIWLFQGBZ-UHFFFAOYSA-N 1 2 410.905 2.998 50 0 biogenic HFAALO Cc1cccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(F)c(F)c4)CC3)NC2=O)c1 ZINC000009526940 571266087 /nfs/dbraw/zinc/26/60/87/571266087.db2.gz RCKSFYVBXQWKQF-UHFFFAOYSA-N 1 2 412.440 2.623 50 0 HFAALO Cc1nnc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)s1 ZINC000070641648 571270887 /nfs/dbraw/zinc/27/08/87/571270887.db2.gz SIHHGWCAXHJURE-UHFFFAOYSA-N 1 2 402.455 2.854 50 0 HFAALO CC(C)c1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C(C)C)CC3)nc2N)cc1 ZINC000071328250 571292571 /nfs/dbraw/zinc/29/25/71/571292571.db2.gz RMDATEOROWUIND-UHFFFAOYSA-N 1 2 403.552 2.545 50 0 HFAALO CCOC(=O)c1sc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1C ZINC000010049881 571294563 /nfs/dbraw/zinc/29/45/63/571294563.db2.gz KLDUMEWWVDIFCX-AWEZNQCLSA-N 1 2 404.488 2.944 50 0 HFAALO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1C ZINC000010049881 571294564 /nfs/dbraw/zinc/29/45/64/571294564.db2.gz KLDUMEWWVDIFCX-AWEZNQCLSA-N 1 2 404.488 2.944 50 0 HFAALO c1ccc(-c2nnc3ccc(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nn32)cc1 ZINC000004593480 132279516 /nfs/dbraw/zinc/27/95/16/132279516.db2.gz RKQOKTDPFSZVCL-UHFFFAOYSA-N 1 2 414.469 2.842 50 0 HFAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 ZINC000009379050 132339222 /nfs/dbraw/zinc/33/92/22/132339222.db2.gz SUSFLVMRAISORG-HXUWFJFHSA-N 1 2 422.529 2.971 50 0 HFAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 ZINC000009379050 132339223 /nfs/dbraw/zinc/33/92/23/132339223.db2.gz SUSFLVMRAISORG-HXUWFJFHSA-N 1 2 422.529 2.971 50 0 HFAALO Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cn1 ZINC000012586971 132364502 /nfs/dbraw/zinc/36/45/02/132364502.db2.gz QEYFVDQXMKSQFZ-FQEVSTJZSA-N 1 2 421.545 2.766 50 0 HFAALO C[N@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccc(Cl)c(Cl)c1 ZINC000012853498 132367876 /nfs/dbraw/zinc/36/78/76/132367876.db2.gz WBPVLWXKADPSII-QGZVFWFLSA-N 1 2 408.285 2.705 50 0 HFAALO C[N@@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccc(Cl)c(Cl)c1 ZINC000012853498 132367877 /nfs/dbraw/zinc/36/78/77/132367877.db2.gz WBPVLWXKADPSII-QGZVFWFLSA-N 1 2 408.285 2.705 50 0 HFAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NC(=O)NC1CCCCC1 ZINC000035504018 132802246 /nfs/dbraw/zinc/80/22/46/132802246.db2.gz MDLZUCVUULDOOU-UHFFFAOYSA-N 1 2 412.456 2.986 50 0 HFAALO COc1c2c(c(NC(=O)c3cnn(-c4ccccc4)c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123778 521884687 /nfs/dbraw/zinc/88/46/87/521884687.db2.gz RNCIDKHRPQFVRV-UHFFFAOYSA-N 1 2 406.442 2.850 50 0 biogenic HFAALO COc1c2c(c(NC(=O)c3cnn(-c4ccccc4)c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123778 521884698 /nfs/dbraw/zinc/88/46/98/521884698.db2.gz RNCIDKHRPQFVRV-UHFFFAOYSA-N 1 2 406.442 2.850 50 0 biogenic HFAALO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000032797340 525189056 /nfs/dbraw/zinc/18/90/56/525189056.db2.gz LWQVNGLMTPAURY-HXUWFJFHSA-N 1 2 400.567 2.651 50 0 HFAALO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000032797341 525212694 /nfs/dbraw/zinc/21/26/94/525212694.db2.gz LWQVNGLMTPAURY-FQEVSTJZSA-N 1 2 400.567 2.651 50 0 HFAALO Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cn4cc[nH+]c4)cc3)c(Cl)cc21 ZINC000008973416 557817055 /nfs/dbraw/zinc/81/70/55/557817055.db2.gz PQLDQSLRKJQZPY-UHFFFAOYSA-N 1 2 418.862 2.831 50 0 HFAALO O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CC[NH+](Cc2cccs2)CC1 ZINC000019739678 558260749 /nfs/dbraw/zinc/26/07/49/558260749.db2.gz ZAJPGBDRDLRIOJ-UHFFFAOYSA-N 1 2 401.923 2.999 50 0 HFAALO COc1cc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(OC)c1O ZINC000019789315 558282229 /nfs/dbraw/zinc/28/22/29/558282229.db2.gz AXLXABGACRWGFM-UHFFFAOYSA-N 1 2 420.893 2.786 50 0 HFAALO CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000011871760 558290468 /nfs/dbraw/zinc/29/04/68/558290468.db2.gz IZZIYQVZEQKUTD-INIZCTEOSA-N 1 2 415.490 2.833 50 0 HFAALO CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000011871760 558290470 /nfs/dbraw/zinc/29/04/70/558290470.db2.gz IZZIYQVZEQKUTD-INIZCTEOSA-N 1 2 415.490 2.833 50 0 HFAALO CCOC(=O)c1cnn(-c2cccc(F)c2)c1C[N@@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000020119334 558336779 /nfs/dbraw/zinc/33/67/79/558336779.db2.gz GIMIFIZJQRJCIU-OAHLLOKOSA-N 1 2 412.469 2.696 50 0 HFAALO CCOC(=O)c1cnn(-c2cccc(F)c2)c1C[N@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000020119334 558336780 /nfs/dbraw/zinc/33/67/80/558336780.db2.gz GIMIFIZJQRJCIU-OAHLLOKOSA-N 1 2 412.469 2.696 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000020326335 558355565 /nfs/dbraw/zinc/35/55/65/558355565.db2.gz MHWWPUGWPQVXBB-NCYKPQTJSA-N 1 2 404.466 2.839 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000020326335 558355568 /nfs/dbraw/zinc/35/55/68/558355568.db2.gz MHWWPUGWPQVXBB-NCYKPQTJSA-N 1 2 404.466 2.839 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3nccn3-c3cccc(C)c3)C2)CC1 ZINC000020351963 558356870 /nfs/dbraw/zinc/35/68/70/558356870.db2.gz ZZETYFZXZHBUBY-NRFANRHFSA-N 1 2 411.550 2.919 50 0 HFAALO CCc1nnc(NC(=O)CCC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000020440447 558363516 /nfs/dbraw/zinc/36/35/16/558363516.db2.gz JTULFWJOBAZRMM-UHFFFAOYSA-N 1 2 421.954 2.817 50 0 HFAALO Cc1ccc(C[N@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000012331703 558385747 /nfs/dbraw/zinc/38/57/47/558385747.db2.gz HLQBFABJXXMLQI-UHFFFAOYSA-N 1 2 400.544 2.812 50 0 HFAALO Cc1ccc(C[N@@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000012331703 558385750 /nfs/dbraw/zinc/38/57/50/558385750.db2.gz HLQBFABJXXMLQI-UHFFFAOYSA-N 1 2 400.544 2.812 50 0 HFAALO CCN(C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(C)cc2)CC1)C1CCCCC1 ZINC000022930005 558388109 /nfs/dbraw/zinc/38/81/09/558388109.db2.gz YYZIFLUZQPDQLA-UHFFFAOYSA-N 1 2 400.567 2.732 50 0 HFAALO CC(C)(CN/C=C1\c2ccccc2C(=O)N(c2ccccc2)C1=O)[NH+]1CCOCC1 ZINC000020664346 558398022 /nfs/dbraw/zinc/39/80/22/558398022.db2.gz AQXXLFZPFJWMQQ-LTGZKZEYSA-N 1 2 405.498 2.915 50 0 HFAALO O=C(c1cncs1)N1CCC[C@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000020781855 558412824 /nfs/dbraw/zinc/41/28/24/558412824.db2.gz IVECQCUDLBHAMD-SFHVURJKSA-N 1 2 401.532 2.907 50 0 HFAALO Cc1cc(=O)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1-c1ccccc1F ZINC000021005433 558428587 /nfs/dbraw/zinc/42/85/87/558428587.db2.gz RXXYUJKKROEQTB-UHFFFAOYSA-N 1 2 406.461 2.638 50 0 HFAALO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000021816790 558450806 /nfs/dbraw/zinc/45/08/06/558450806.db2.gz XCDVUMWSGFJXQX-NRFANRHFSA-N 1 2 409.486 2.635 50 0 HFAALO Cc1cc(Cl)ccc1Nc1nc(NCC[NH+]2CCOCC2)nc2c1cnn2C ZINC000021873470 558453224 /nfs/dbraw/zinc/45/32/24/558453224.db2.gz OLGIANJYRPKPHF-UHFFFAOYSA-N 1 2 401.902 2.813 50 0 HFAALO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000021964865 558456691 /nfs/dbraw/zinc/45/66/91/558456691.db2.gz RRPZFMOICZAHGB-AWEZNQCLSA-N 1 2 409.408 2.761 50 0 HFAALO Cc1nn2c(nc(N3CC[NH+](CC(=O)NCC(C)C)CC3)c3ccccc32)c1Cl ZINC000022015637 558458130 /nfs/dbraw/zinc/45/81/30/558458130.db2.gz DOIYNHYJASSKMI-UHFFFAOYSA-N 1 2 414.941 2.739 50 0 HFAALO O=C(CN1CCC[N@H+](CC(=O)Nc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000022036805 558459233 /nfs/dbraw/zinc/45/92/33/558459233.db2.gz BNOSLQMNBFZDDA-UHFFFAOYSA-N 1 2 402.445 2.550 50 0 HFAALO O=C(CN1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000022036805 558459235 /nfs/dbraw/zinc/45/92/35/558459235.db2.gz BNOSLQMNBFZDDA-UHFFFAOYSA-N 1 2 402.445 2.550 50 0 HFAALO O=C(CSc1nnc(-c2ccccc2)o1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000022185783 558465416 /nfs/dbraw/zinc/46/54/16/558465416.db2.gz OETSKJLTEYPDRE-LJQANCHMSA-N 1 2 424.526 2.846 50 0 HFAALO O=C(CSc1nnc(-c2ccccc2)o1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000022185783 558465419 /nfs/dbraw/zinc/46/54/19/558465419.db2.gz OETSKJLTEYPDRE-LJQANCHMSA-N 1 2 424.526 2.846 50 0 HFAALO CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000012791125 558465632 /nfs/dbraw/zinc/46/56/32/558465632.db2.gz ATCNVSMEXSMLKM-UHFFFAOYSA-N 1 2 402.520 2.622 50 0 HFAALO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022917126 558521875 /nfs/dbraw/zinc/52/18/75/558521875.db2.gz BLDFITVBSALLHA-ZWKOTPCHSA-N 1 2 412.509 2.648 50 0 HFAALO O=C(CN1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000022926573 558523168 /nfs/dbraw/zinc/52/31/68/558523168.db2.gz HDZFRTHJAMEBEB-HSZRJFAPSA-N 1 2 424.520 2.746 50 0 HFAALO C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023248525 558545613 /nfs/dbraw/zinc/54/56/13/558545613.db2.gz NBKZPTTXWWQPJG-QGZVFWFLSA-N 1 2 415.513 2.957 50 0 HFAALO COC(=O)c1sc2[nH]c(C[N@H+](C)Cc3ccc(OC)c(OC)c3)nc(=O)c2c1C ZINC000023330237 558549441 /nfs/dbraw/zinc/54/94/41/558549441.db2.gz DVURNMFJCURMDJ-UHFFFAOYSA-N 1 2 417.487 2.729 50 0 HFAALO COC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3ccc(OC)c(OC)c3)nc(=O)c2c1C ZINC000023330237 558549444 /nfs/dbraw/zinc/54/94/44/558549444.db2.gz DVURNMFJCURMDJ-UHFFFAOYSA-N 1 2 417.487 2.729 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023373491 558553742 /nfs/dbraw/zinc/55/37/42/558553742.db2.gz NWJKEFRNNQJQBY-QFIPXVFZSA-N 1 2 412.530 2.975 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023373491 558553744 /nfs/dbraw/zinc/55/37/44/558553744.db2.gz NWJKEFRNNQJQBY-QFIPXVFZSA-N 1 2 412.530 2.975 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023373491 558553745 /nfs/dbraw/zinc/55/37/45/558553745.db2.gz NWJKEFRNNQJQBY-QFIPXVFZSA-N 1 2 412.530 2.975 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3cccc(C(C)=O)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023373491 558553747 /nfs/dbraw/zinc/55/37/47/558553747.db2.gz NWJKEFRNNQJQBY-QFIPXVFZSA-N 1 2 412.530 2.975 50 0 HFAALO C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023761198 558574468 /nfs/dbraw/zinc/57/44/68/558574468.db2.gz LSRWCYVFQXHYML-PONJGIIJSA-N 1 2 409.490 2.550 50 0 HFAALO C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023761206 558574476 /nfs/dbraw/zinc/57/44/76/558574476.db2.gz LSRWCYVFQXHYML-WCJKSRRJSA-N 1 2 409.490 2.550 50 0 HFAALO O=C(C1CC[NH+](CN2C(=O)NC3(CCCCCC3)C2=O)CC1)N1CCCCCC1 ZINC000023854009 558577853 /nfs/dbraw/zinc/57/78/53/558577853.db2.gz WJSARXSZZQZWLC-UHFFFAOYSA-N 1 2 404.555 2.703 50 0 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558640595 /nfs/dbraw/zinc/64/05/95/558640595.db2.gz PEVXGWKJRDDVDF-IFMALSPDSA-N 1 2 413.468 2.829 50 0 HFAALO COc1ccc(CCN2C(=O)C[C@H]([NH+]3CCN(c4cccc(C)c4C)CC3)C2=O)cc1 ZINC000025747700 558648824 /nfs/dbraw/zinc/64/88/24/558648824.db2.gz LOHHVUOPUKSSGZ-QHCPKHFHSA-N 1 2 421.541 2.804 50 0 HFAALO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014885838 558677383 /nfs/dbraw/zinc/67/73/83/558677383.db2.gz UFMQOYMIIWOPHY-UHFFFAOYSA-N 1 2 415.921 2.805 50 0 HFAALO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000014885838 558677385 /nfs/dbraw/zinc/67/73/85/558677385.db2.gz UFMQOYMIIWOPHY-UHFFFAOYSA-N 1 2 415.921 2.805 50 0 HFAALO Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)n1 ZINC000014973563 558688423 /nfs/dbraw/zinc/68/84/23/558688423.db2.gz CUZVXQKIGFUSKQ-HXUWFJFHSA-N 1 2 421.545 2.766 50 0 HFAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000072272604 558692343 /nfs/dbraw/zinc/69/23/43/558692343.db2.gz UHFQKEGUYXIECH-UHFFFAOYSA-N 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COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)c1 ZINC000034118519 558772947 /nfs/dbraw/zinc/77/29/47/558772947.db2.gz GYBRWYGHTJXDSF-WBVHZDCISA-N 1 2 423.439 2.940 50 0 HFAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC000072309394 558773205 /nfs/dbraw/zinc/77/32/05/558773205.db2.gz MVAWUCBYMUHRMJ-QGZVFWFLSA-N 1 2 418.519 2.824 50 0 HFAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)NC(=O)NCc1ccccc1 ZINC000034866197 558785901 /nfs/dbraw/zinc/78/59/01/558785901.db2.gz XAEWSRDXPHHEJK-UHFFFAOYSA-N 1 2 420.435 2.853 50 0 HFAALO O=C(NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1c(F)cccc1F ZINC000035223993 558789176 /nfs/dbraw/zinc/78/91/76/558789176.db2.gz IEFGAYSIUNKTNF-UHFFFAOYSA-N 1 2 419.453 2.526 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000038528137 558812078 /nfs/dbraw/zinc/81/20/78/558812078.db2.gz AQYFRKFUOSMMGO-UHFFFAOYSA-N 1 2 416.913 2.629 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000038528137 558812080 /nfs/dbraw/zinc/81/20/80/558812080.db2.gz AQYFRKFUOSMMGO-UHFFFAOYSA-N 1 2 416.913 2.629 50 0 HFAALO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530921 558812418 /nfs/dbraw/zinc/81/24/18/558812418.db2.gz UQZXPVZWTJLEDE-UHFFFAOYSA-N 1 2 421.954 2.631 50 0 HFAALO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530921 558812420 /nfs/dbraw/zinc/81/24/20/558812420.db2.gz UQZXPVZWTJLEDE-UHFFFAOYSA-N 1 2 421.954 2.631 50 0 HFAALO CC1(C)C(=O)NCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055119224 558873043 /nfs/dbraw/zinc/87/30/43/558873043.db2.gz IULQDHOIDXOSIP-UHFFFAOYSA-N 1 2 404.470 2.978 50 0 HFAALO CC1(C)C(=O)NCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055119224 558873045 /nfs/dbraw/zinc/87/30/45/558873045.db2.gz IULQDHOIDXOSIP-UHFFFAOYSA-N 1 2 404.470 2.978 50 0 HFAALO COc1ccc(NC(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)c(OC)c1 ZINC000055532994 558881834 /nfs/dbraw/zinc/88/18/34/558881834.db2.gz VJKLSCVAAPHNSR-UHFFFAOYSA-N 1 2 402.470 2.787 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)cc1 ZINC000010656742 558885506 /nfs/dbraw/zinc/88/55/06/558885506.db2.gz LNHLAQQSKBLIAS-KRWDZBQOSA-N 1 2 408.355 2.646 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1ccc(F)cc1 ZINC000010656620 558894532 /nfs/dbraw/zinc/89/45/32/558894532.db2.gz AEEMSDYKDYYMQA-SFHVURJKSA-N 1 2 413.478 2.591 50 0 HFAALO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058131619 558900488 /nfs/dbraw/zinc/90/04/88/558900488.db2.gz VBELTLYVYJPVNA-CQSZACIVSA-N 1 2 417.307 2.862 50 0 HFAALO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CCOc3ccc(OC)cc3)nc(N)c21 ZINC000058161813 558905926 /nfs/dbraw/zinc/90/59/26/558905926.db2.gz UMCXYBOUIOBRII-UHFFFAOYSA-N 1 2 414.462 2.810 50 0 HFAALO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)CCOc3ccc(OC)cc3)nc(N)c21 ZINC000058161813 558905927 /nfs/dbraw/zinc/90/59/27/558905927.db2.gz UMCXYBOUIOBRII-UHFFFAOYSA-N 1 2 414.462 2.810 50 0 HFAALO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000019539374 558914175 /nfs/dbraw/zinc/91/41/75/558914175.db2.gz YRZXOFZKTREFJL-SFHVURJKSA-N 1 2 412.509 2.601 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000019551557 558915626 /nfs/dbraw/zinc/91/56/26/558915626.db2.gz CJBCIMYFJTXADW-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COC(=O)c1ccc(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000058305144 558918030 /nfs/dbraw/zinc/91/80/30/558918030.db2.gz SZZGYHFETWXYGZ-UHFFFAOYSA-N 1 2 413.474 2.506 50 0 HFAALO O=C(CCNS(=O)(=O)c1ccccc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000060013762 558940263 /nfs/dbraw/zinc/94/02/63/558940263.db2.gz MWUJXXONYDQXKE-UHFFFAOYSA-N 1 2 418.906 2.511 50 0 HFAALO O=C(NCCNc1cc(N2CCOCC2)nc[nH+]1)c1ccc(-c2ccccc2)cc1 ZINC000072437996 558981226 /nfs/dbraw/zinc/98/12/26/558981226.db2.gz GJRHJOACTASGLD-UHFFFAOYSA-N 1 2 403.486 2.822 50 0 HFAALO O=C(NCCNc1cc(N2CCOCC2)[nH+]cn1)c1ccc(-c2ccccc2)cc1 ZINC000072437996 558981228 /nfs/dbraw/zinc/98/12/28/558981228.db2.gz GJRHJOACTASGLD-UHFFFAOYSA-N 1 2 403.486 2.822 50 0 HFAALO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000072446830 558982449 /nfs/dbraw/zinc/98/24/49/558982449.db2.gz JDSGVLOPMMJBTD-UHFFFAOYSA-N 1 2 418.501 2.821 50 0 HFAALO O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000072446830 558982451 /nfs/dbraw/zinc/98/24/51/558982451.db2.gz JDSGVLOPMMJBTD-UHFFFAOYSA-N 1 2 418.501 2.821 50 0 HFAALO CC(C)Nc1cc(N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)nc[nH+]1 ZINC000067743341 558992340 /nfs/dbraw/zinc/99/23/40/558992340.db2.gz BZOPSSURGOOANA-QHCPKHFHSA-N 1 2 422.533 2.724 50 0 HFAALO CC(C)Nc1cc(N2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)[nH+]cn1 ZINC000067743341 558992343 /nfs/dbraw/zinc/99/23/43/558992343.db2.gz BZOPSSURGOOANA-QHCPKHFHSA-N 1 2 422.533 2.724 50 0 HFAALO COc1cc(Cl)ccc1C(=O)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097125478 558995947 /nfs/dbraw/zinc/99/59/47/558995947.db2.gz FDODFCGXKIYLIF-GOSISDBHSA-N 1 2 405.926 2.507 50 0 HFAALO COc1cc(Cl)ccc1C(=O)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097125478 558995949 /nfs/dbraw/zinc/99/59/49/558995949.db2.gz FDODFCGXKIYLIF-GOSISDBHSA-N 1 2 405.926 2.507 50 0 HFAALO C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117781 558996077 /nfs/dbraw/zinc/99/60/77/558996077.db2.gz QVXHHYLNGFPVBL-AVRDEDQJSA-N 1 2 417.575 2.663 50 0 HFAALO C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117781 558996079 /nfs/dbraw/zinc/99/60/79/558996079.db2.gz QVXHHYLNGFPVBL-AVRDEDQJSA-N 1 2 417.575 2.663 50 0 HFAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(OC)c(O)c2)C[C@@H]1CCO ZINC000076837697 558997876 /nfs/dbraw/zinc/99/78/76/558997876.db2.gz PCYQMEKSPLBSBC-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(OC)c(O)c2)C[C@@H]1CCO ZINC000076837697 558997878 /nfs/dbraw/zinc/99/78/78/558997878.db2.gz PCYQMEKSPLBSBC-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO COc1cc(C(=O)NCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc(OC)c1OC ZINC000023127741 559016145 /nfs/dbraw/zinc/01/61/45/559016145.db2.gz AYVOIRPSMSZOGR-HXUWFJFHSA-N 1 2 400.475 2.516 50 0 HFAALO COc1cc(C(=O)NCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc(OC)c1OC ZINC000023127741 559016147 /nfs/dbraw/zinc/01/61/47/559016147.db2.gz AYVOIRPSMSZOGR-HXUWFJFHSA-N 1 2 400.475 2.516 50 0 HFAALO Cc1nc(-c2cccc(-c3noc(C(=O)NCCC[NH+]4CCOCC4)n3)c2)cs1 ZINC000033283696 559045292 /nfs/dbraw/zinc/04/52/92/559045292.db2.gz YAWIBFCXDKJFBS-UHFFFAOYSA-N 1 2 413.503 2.621 50 0 HFAALO O=C1C(=O)N(CN2CC[NH+](Cc3ccccc3)CC2)c2cccc(Br)c21 ZINC000023256997 559068660 /nfs/dbraw/zinc/06/86/60/559068660.db2.gz RTDGYZUTNOBGOJ-UHFFFAOYSA-N 1 2 414.303 2.754 50 0 HFAALO O=C(c1ccc(F)cc1F)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095507083 559083367 /nfs/dbraw/zinc/08/33/67/559083367.db2.gz WOHYIGJAZOUUDL-UHFFFAOYSA-N 1 2 400.429 2.614 50 0 HFAALO CCOc1ccc(OCC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000011586419 559112255 /nfs/dbraw/zinc/11/22/55/559112255.db2.gz XCFVHOBSSKUZKJ-UHFFFAOYSA-N 1 2 411.502 2.683 50 0 HFAALO CC(C)(C)[N@@H+]1CCOP1O[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H]1COC(C)(C)O1 ZINC000263621525 559166518 /nfs/dbraw/zinc/16/65/18/559166518.db2.gz XXJKJLFIYTWREQ-HLFCNXHYSA-N 1 2 405.428 2.757 50 0 HFAALO CC(C)(C)[N@H+]1CCOP1O[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@H]1COC(C)(C)O1 ZINC000263621525 559166519 /nfs/dbraw/zinc/16/65/19/559166519.db2.gz XXJKJLFIYTWREQ-HLFCNXHYSA-N 1 2 405.428 2.757 50 0 HFAALO O=C(CN1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1)NCc1ccccc1 ZINC000011695787 559189037 /nfs/dbraw/zinc/18/90/37/559189037.db2.gz AXMANQMGRBOCBU-UHFFFAOYSA-N 1 2 409.921 2.964 50 0 HFAALO COc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000004995268 559225448 /nfs/dbraw/zinc/22/54/48/559225448.db2.gz LUKQGFODEBBVHO-CAPFRKAQSA-N 1 2 404.470 2.869 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](CC(C)C)C(N)=O)csc2C1 ZINC000426590011 559274767 /nfs/dbraw/zinc/27/47/67/559274767.db2.gz QQQOARSWYFUMLD-KRWDZBQOSA-N 1 2 404.536 2.541 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](CC(C)C)C(N)=O)csc2C1 ZINC000426590011 559274769 /nfs/dbraw/zinc/27/47/69/559274769.db2.gz QQQOARSWYFUMLD-KRWDZBQOSA-N 1 2 404.536 2.541 50 0 HFAALO Cc1ccc(-c2nn(C(C)(C)CNC(=O)c3ccncc3)c3nc[nH+]c(N)c23)cc1 ZINC000146915487 559274784 /nfs/dbraw/zinc/27/47/84/559274784.db2.gz LEBSTCDZKUSVOY-UHFFFAOYSA-N 1 2 401.474 2.944 50 0 HFAALO CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018240529 560785308 /nfs/dbraw/zinc/78/53/08/560785308.db2.gz FUWCXWRBHYMAAP-ACBHZAAOSA-N 1 2 418.607 2.794 50 0 HFAALO COc1ccccc1C(=O)NCCC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048248549 568433240 /nfs/dbraw/zinc/43/32/40/568433240.db2.gz DQDXYTCXOZFROO-UHFFFAOYSA-N 1 2 410.518 2.907 50 0 HFAALO O=C(Nc1cc(F)ccc1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)c1ccoc1 ZINC000048250396 568434240 /nfs/dbraw/zinc/43/42/40/568434240.db2.gz IUWWGBCUJFCQIO-UHFFFAOYSA-N 1 2 424.432 2.833 50 0 HFAALO CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)cc[nH+]1 ZINC000048331572 568439874 /nfs/dbraw/zinc/43/98/74/568439874.db2.gz IXGKWPLRKULKJZ-AWEZNQCLSA-N 1 2 417.307 2.579 50 0 HFAALO C[C@H]1CN(C(=O)C2CC[NH+](Cn3c(=O)oc4cc(Cl)ccc43)CC2)C[C@H](C)O1 ZINC000048341636 568440409 /nfs/dbraw/zinc/44/04/09/568440409.db2.gz MAFTVCDAROBWOY-KBPBESRZSA-N 1 2 407.898 2.553 50 0 HFAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000049027078 568445584 /nfs/dbraw/zinc/44/55/84/568445584.db2.gz NRUABURDQVLPHD-UHFFFAOYSA-N 1 2 406.573 2.817 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000049547204 568451462 /nfs/dbraw/zinc/45/14/62/568451462.db2.gz IYCDARYABIARPI-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000049547204 568451463 /nfs/dbraw/zinc/45/14/63/568451463.db2.gz IYCDARYABIARPI-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000218498536 568481110 /nfs/dbraw/zinc/48/11/10/568481110.db2.gz RSCFZXWHPJDZQA-CTNGQTDRSA-N 1 2 420.513 2.897 50 0 HFAALO COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604403878 568492167 /nfs/dbraw/zinc/49/21/67/568492167.db2.gz BJUXYJGODRGQTO-GOSISDBHSA-N 1 2 411.458 2.532 50 0 biogenic HFAALO COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604403878 568492168 /nfs/dbraw/zinc/49/21/68/568492168.db2.gz BJUXYJGODRGQTO-GOSISDBHSA-N 1 2 411.458 2.532 50 0 biogenic HFAALO Cn1c2nc(C[NH+]3CCCCC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000000812622 568495254 /nfs/dbraw/zinc/49/52/54/568495254.db2.gz FYIIEYSZSXCJEI-UHFFFAOYSA-N 1 2 417.513 2.621 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCSCC1 ZINC000014979286 568549032 /nfs/dbraw/zinc/54/90/32/568549032.db2.gz KPDWXZUYUQLZSX-NRFANRHFSA-N 1 2 409.555 2.620 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCSCC1 ZINC000014979286 568549033 /nfs/dbraw/zinc/54/90/33/568549033.db2.gz KPDWXZUYUQLZSX-NRFANRHFSA-N 1 2 409.555 2.620 50 0 HFAALO Cc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c(C)c1 ZINC000020412344 568605373 /nfs/dbraw/zinc/60/53/73/568605373.db2.gz KZMAMVBEMLIXLI-HXUWFJFHSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCC[NH+]3CCOCC3)c(C)c21 ZINC000020757280 568641518 /nfs/dbraw/zinc/64/15/18/568641518.db2.gz KFNFYLMROBMLAO-UHFFFAOYSA-N 1 2 412.486 2.764 50 0 biogenic HFAALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4n[nH]c5c4C[C@@H](C)CC5)CC3)cc(=O)oc2c1 ZINC000020869482 568647459 /nfs/dbraw/zinc/64/74/59/568647459.db2.gz UOOLEDWLXHONHM-HNNXBMFYSA-N 1 2 420.513 2.907 50 0 HFAALO COc1cc(C)c(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000225695117 568664975 /nfs/dbraw/zinc/66/49/75/568664975.db2.gz HDMCTFZEGWECOH-GOSISDBHSA-N 1 2 417.531 2.563 50 0 HFAALO COc1cccc(NC(=O)c2sc(=S)n(CCC[NH+]3CCOCC3)c2N)c1 ZINC000096346611 568737848 /nfs/dbraw/zinc/73/78/48/568737848.db2.gz CMTKYZFDTIVLPY-UHFFFAOYSA-N 1 2 408.549 2.844 50 0 HFAALO Cc1c(O)ccc2c(C[NH+]3CCN(Cc4cn5ccccc5n4)CC3)cc(=O)oc12 ZINC000021866475 568755656 /nfs/dbraw/zinc/75/56/56/568755656.db2.gz XLKZVNFRLYMUFA-UHFFFAOYSA-N 1 2 404.470 2.773 50 0 HFAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CCN(C(=O)C5CC5)CC4)cc3)cn2c1 ZINC000025169852 568758439 /nfs/dbraw/zinc/75/84/39/568758439.db2.gz NWIISUQIQMHRDI-UHFFFAOYSA-N 1 2 418.497 2.916 50 0 HFAALO Cn1ncc2c1nc(N1CCN(C(=O)c3ccco3)CC1)[nH+]c2NCc1ccccc1 ZINC000021929122 568761624 /nfs/dbraw/zinc/76/16/24/568761624.db2.gz SPUQOXHFPRKQKU-UHFFFAOYSA-N 1 2 417.473 2.531 50 0 HFAALO CCCCCNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945165 568821390 /nfs/dbraw/zinc/82/13/90/568821390.db2.gz KLNJBNRNCDAUQO-FQEVSTJZSA-N 1 2 412.534 2.566 50 0 HFAALO CCOc1ccc([C@H]2NC(=O)N=C(C[N@@H+]3CCc4ccccc4C3)C2C(=O)OC)cc1 ZINC000057415336 568833474 /nfs/dbraw/zinc/83/34/74/568833474.db2.gz SMVPKMUKKMTDGA-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOc1ccc([C@H]2NC(=O)N=C(C[N@H+]3CCc4ccccc4C3)C2C(=O)OC)cc1 ZINC000057415336 568833476 /nfs/dbraw/zinc/83/34/76/568833476.db2.gz SMVPKMUKKMTDGA-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000057440585 568836828 /nfs/dbraw/zinc/83/68/28/568836828.db2.gz BMZDCQFDYVKYDU-IBGZPJMESA-N 1 2 423.513 2.649 50 0 HFAALO CC[NH+](CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)c1ccccc1 ZINC000012517471 568840727 /nfs/dbraw/zinc/84/07/27/568840727.db2.gz DBEFCDQIUGHBTQ-LJQANCHMSA-N 1 2 424.588 2.989 50 0 HFAALO Cc1ccc(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cc1 ZINC000012539985 568847318 /nfs/dbraw/zinc/84/73/18/568847318.db2.gz XRVTYIQBFDDXSC-INIZCTEOSA-N 1 2 419.572 2.690 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccccc1F ZINC000012547826 568850971 /nfs/dbraw/zinc/85/09/71/568850971.db2.gz WBFWVYSAQKVOTA-QFIPXVFZSA-N 1 2 422.460 2.971 50 0 HFAALO COc1ccc([C@@H](NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c2[nH+]ccn2C)cc1 ZINC000012547351 568851279 /nfs/dbraw/zinc/85/12/79/568851279.db2.gz KOXZRCQGKPVIFC-LJQANCHMSA-N 1 2 420.448 2.976 50 0 HFAALO Cc1cccc2c(=O)n(CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(Cl)cc3)cnc12 ZINC000012573764 568862139 /nfs/dbraw/zinc/86/21/39/568862139.db2.gz XGEYLHYAOUZXPG-HXUWFJFHSA-N 1 2 421.888 2.998 50 0 HFAALO COCC[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1nnc(-c2cccs2)o1 ZINC000057836186 568862397 /nfs/dbraw/zinc/86/23/97/568862397.db2.gz ZTCKNDUNOFKZEO-UHFFFAOYSA-N 1 2 412.471 2.543 50 0 HFAALO COCC[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1nnc(-c2cccs2)o1 ZINC000057836186 568862399 /nfs/dbraw/zinc/86/23/99/568862399.db2.gz ZTCKNDUNOFKZEO-UHFFFAOYSA-N 1 2 412.471 2.543 50 0 HFAALO CCOC(=O)c1c(NC(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)sc2c1CC[C@@H](C)C2 ZINC000003252573 568868099 /nfs/dbraw/zinc/86/80/99/568868099.db2.gz GOBPCWKPCYCKMX-CHWSQXEVSA-N 1 2 421.563 2.574 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012603629 568870690 /nfs/dbraw/zinc/87/06/90/568870690.db2.gz HLJGCGJEEUYOJI-GOSISDBHSA-N 1 2 400.841 2.848 50 0 HFAALO Cc1ccc2oc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc(=O)c2c1 ZINC000012615061 568871978 /nfs/dbraw/zinc/87/19/78/568871978.db2.gz TWZAOYQCNBYNHI-UHFFFAOYSA-N 1 2 419.481 2.934 50 0 HFAALO Cc1cc(C)n(Cc2ccc(-c3noc(C(=O)NCCCn4cc[nH+]c4)n3)cc2)n1 ZINC000031808951 568931823 /nfs/dbraw/zinc/93/18/23/568931823.db2.gz MZBDWBQFMAZQSI-UHFFFAOYSA-N 1 2 405.462 2.615 50 0 HFAALO Cn1cnnc1Sc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)o1 ZINC000670465619 568969478 /nfs/dbraw/zinc/96/94/78/568969478.db2.gz FKEXYHBDEQMOHD-UHFFFAOYSA-N 1 2 413.503 2.606 50 0 HFAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000008275682 568986908 /nfs/dbraw/zinc/98/69/08/568986908.db2.gz MGGAZHJFWJGZMB-KRWDZBQOSA-N 1 2 408.531 2.572 50 0 HFAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000008275682 568986911 /nfs/dbraw/zinc/98/69/11/568986911.db2.gz MGGAZHJFWJGZMB-KRWDZBQOSA-N 1 2 408.531 2.572 50 0 HFAALO NC(=O)Cn1c(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)nc2ccccc2c1=O ZINC000012906150 569021259 /nfs/dbraw/zinc/02/12/59/569021259.db2.gz OPVFOSHQEHUQNB-NRFANRHFSA-N 1 2 422.485 2.962 50 0 HFAALO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000053517034 569031237 /nfs/dbraw/zinc/03/12/37/569031237.db2.gz BUTZRDYCRZUIBM-AWEZNQCLSA-N 1 2 413.909 2.967 50 0 HFAALO CCCCOc1ccc(S(=O)(=O)NCCNc2cc(-n3cccc3)nc[nH+]2)cc1 ZINC000090607838 569042066 /nfs/dbraw/zinc/04/20/66/569042066.db2.gz FIYLSASWDYBAGR-UHFFFAOYSA-N 1 2 415.519 2.837 50 0 HFAALO O=S(=O)(NCCNc1cc(-n2cccc2)nc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000090607844 569042086 /nfs/dbraw/zinc/04/20/86/569042086.db2.gz YQYCRINTWGOBNE-UHFFFAOYSA-N 1 2 411.409 2.677 50 0 HFAALO O=S(=O)(NCCNc1cc(-n2cccc2)nc[nH+]1)c1ccc2cccc3c2c1CC3 ZINC000090607839 569042123 /nfs/dbraw/zinc/04/21/23/569042123.db2.gz BBRBFRLMOMCOCZ-UHFFFAOYSA-N 1 2 419.510 2.910 50 0 HFAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609267 569042432 /nfs/dbraw/zinc/04/24/32/569042432.db2.gz ZQSYLSVGHAPWNQ-OAHLLOKOSA-N 1 2 424.510 2.534 50 0 HFAALO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000012979527 569042700 /nfs/dbraw/zinc/04/27/00/569042700.db2.gz CFKAKJGUGIWNSJ-HXUWFJFHSA-N 1 2 401.532 2.696 50 0 HFAALO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000012979527 569042701 /nfs/dbraw/zinc/04/27/01/569042701.db2.gz CFKAKJGUGIWNSJ-HXUWFJFHSA-N 1 2 401.532 2.696 50 0 HFAALO CCCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426547515 569073430 /nfs/dbraw/zinc/07/34/30/569073430.db2.gz CBTAJZDJMWZEGJ-MRXNPFEDSA-N 1 2 404.478 2.831 50 0 HFAALO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c1 ZINC000006637951 569077111 /nfs/dbraw/zinc/07/71/11/569077111.db2.gz HZJWJLVNWBNEST-UHFFFAOYSA-N 1 2 413.902 2.800 50 0 HFAALO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c1 ZINC000006637951 569077112 /nfs/dbraw/zinc/07/71/12/569077112.db2.gz HZJWJLVNWBNEST-UHFFFAOYSA-N 1 2 413.902 2.800 50 0 HFAALO CC[C@H](C)CN1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024585 569077538 /nfs/dbraw/zinc/07/75/38/569077538.db2.gz LDBVFOZCGBGPJF-FXAWDEMLSA-N 1 2 421.607 2.978 50 0 HFAALO CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000036255860 569120277 /nfs/dbraw/zinc/12/02/77/569120277.db2.gz JOXDMIXFZIJRGU-HXUWFJFHSA-N 1 2 407.942 2.558 50 0 HFAALO O=S(=O)(c1ccc(Cl)cc1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000064942807 569127468 /nfs/dbraw/zinc/12/74/68/569127468.db2.gz DORXKMDMPCOONT-UHFFFAOYSA-N 1 2 415.906 2.684 50 0 HFAALO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000036392762 569167893 /nfs/dbraw/zinc/16/78/93/569167893.db2.gz FXIAQGAHWWJPGH-SFHVURJKSA-N 1 2 407.584 2.794 50 0 HFAALO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(N2CCOCC2)n1C[C@@H]1CCCO1 ZINC000036392762 569167895 /nfs/dbraw/zinc/16/78/95/569167895.db2.gz FXIAQGAHWWJPGH-SFHVURJKSA-N 1 2 407.584 2.794 50 0 HFAALO CCn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c2cccnc21 ZINC000065164850 569189441 /nfs/dbraw/zinc/18/94/41/569189441.db2.gz KOATVXVBKNGZHO-UHFFFAOYSA-N 1 2 412.559 2.914 50 0 HFAALO COc1ccc(NC(=O)C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1OC ZINC000065236989 569202741 /nfs/dbraw/zinc/20/27/41/569202741.db2.gz AVZWWOGKZKANAT-UHFFFAOYSA-N 1 2 411.506 2.949 50 0 HFAALO COc1ccc(NC(=O)C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1OC ZINC000065236989 569202742 /nfs/dbraw/zinc/20/27/42/569202742.db2.gz AVZWWOGKZKANAT-UHFFFAOYSA-N 1 2 411.506 2.949 50 0 HFAALO Cn1ncc2c1nc(C1CC1)cc2C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000036617015 569207896 /nfs/dbraw/zinc/20/78/96/569207896.db2.gz KRWSZFVEZRZLQM-OAQYLSRUSA-N 1 2 405.502 2.649 50 0 HFAALO CCOc1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NCCOC)cc1 ZINC000065265747 569212931 /nfs/dbraw/zinc/21/29/31/569212931.db2.gz JNYGEYSXJDTUQG-XMMPIXPASA-N 1 2 422.529 2.739 50 0 HFAALO Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)s2)c1C ZINC000037008945 569234875 /nfs/dbraw/zinc/23/48/75/569234875.db2.gz UBMPVYAEEVIZRY-UHFFFAOYSA-N 1 2 403.533 2.661 50 0 HFAALO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000065562373 569235754 /nfs/dbraw/zinc/23/57/54/569235754.db2.gz KWIBAVICXNVZAL-FCEWJHQRSA-N 1 2 420.554 2.862 50 0 HFAALO Cc1ccc(C)c(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000017029356 569272182 /nfs/dbraw/zinc/27/21/82/569272182.db2.gz NPDZBMGCVXUPHH-HXUWFJFHSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC[N@H+](Cc1ccco1)C(C)C)c2=O ZINC000017113367 569274874 /nfs/dbraw/zinc/27/48/74/569274874.db2.gz NJVRUKYINIUSLQ-UHFFFAOYSA-N 1 2 401.488 2.975 50 0 HFAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC[N@@H+](Cc1ccco1)C(C)C)c2=O ZINC000017113367 569274875 /nfs/dbraw/zinc/27/48/75/569274875.db2.gz NJVRUKYINIUSLQ-UHFFFAOYSA-N 1 2 401.488 2.975 50 0 HFAALO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCSCC3)c21 ZINC000002261092 569325225 /nfs/dbraw/zinc/32/52/25/569325225.db2.gz PFTWVLPQHVIVLV-UHFFFAOYSA-N 1 2 405.520 2.659 50 0 HFAALO Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000253426846 569368273 /nfs/dbraw/zinc/36/82/73/569368273.db2.gz BEWLITYOGPUGQS-INIZCTEOSA-N 1 2 405.495 2.971 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1F ZINC000253431135 569369684 /nfs/dbraw/zinc/36/96/84/569369684.db2.gz UBRVAJZEYDIJIV-MRXNPFEDSA-N 1 2 405.495 2.971 50 0 HFAALO O=C(Nc1ccccn1)c1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000328598911 569416267 /nfs/dbraw/zinc/41/62/67/569416267.db2.gz OYLNILBERYFHTI-UHFFFAOYSA-N 1 2 411.487 2.625 50 0 HFAALO CC(C)n1cnnc1CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000079021128 569424350 /nfs/dbraw/zinc/42/43/50/569424350.db2.gz ACSRGWBPYCWAOI-IAGOWNOFSA-N 1 2 400.527 2.832 50 0 HFAALO CCCCNC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1OC)CC2 ZINC000067291239 571067431 /nfs/dbraw/zinc/06/74/31/571067431.db2.gz YWONFLSFWSDDLF-UHFFFAOYSA-N 1 2 416.547 2.758 50 0 HFAALO CCCCNC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1OC)CC2 ZINC000067291239 571067434 /nfs/dbraw/zinc/06/74/34/571067434.db2.gz YWONFLSFWSDDLF-UHFFFAOYSA-N 1 2 416.547 2.758 50 0 HFAALO O=C(Cc1csc(NC(=O)c2ccsc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000038739744 571075935 /nfs/dbraw/zinc/07/59/35/571075935.db2.gz QNMZQBQWMDSYIO-UHFFFAOYSA-N 1 2 413.528 2.743 50 0 HFAALO CC1=[NH+]N(Cc2ccc(Cl)c(Cl)c2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000008706123 571103573 /nfs/dbraw/zinc/10/35/73/571103573.db2.gz YJTYEGHMBBHUBP-SNVBAGLBSA-N 1 2 421.288 2.698 50 0 HFAALO Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCc5[nH]c[nH+]c5C4)c12)OC(C)(C)CC3 ZINC000008791926 571120107 /nfs/dbraw/zinc/12/01/07/571120107.db2.gz UTPZCMLVVJIVCR-UHFFFAOYSA-N 1 2 423.469 2.892 50 0 biogenic HFAALO Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCc5[nH+]c[nH]c5C4)c12)OC(C)(C)CC3 ZINC000008791926 571120110 /nfs/dbraw/zinc/12/01/10/571120110.db2.gz UTPZCMLVVJIVCR-UHFFFAOYSA-N 1 2 423.469 2.892 50 0 biogenic HFAALO O=C(c1cc2ccccc2o1)N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000040086194 571156774 /nfs/dbraw/zinc/15/67/74/571156774.db2.gz HKYWXGHFLOWLHU-UHFFFAOYSA-N 1 2 417.465 2.877 50 0 HFAALO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040119943 571175871 /nfs/dbraw/zinc/17/58/71/571175871.db2.gz ISDKRHYUXGYZLJ-UHFFFAOYSA-N 1 2 414.531 2.941 50 0 HFAALO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040119943 571175874 /nfs/dbraw/zinc/17/58/74/571175874.db2.gz ISDKRHYUXGYZLJ-UHFFFAOYSA-N 1 2 414.531 2.941 50 0 HFAALO CSc1nccn1-c1cccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000040141868 571193090 /nfs/dbraw/zinc/19/30/90/571193090.db2.gz TTWRXMNJPQWYJL-UHFFFAOYSA-N 1 2 409.515 2.756 50 0 HFAALO COc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C(=O)N(C)C)cc1OC ZINC000040145410 571195507 /nfs/dbraw/zinc/19/55/07/571195507.db2.gz NIKZLKVCHWRVOI-UHFFFAOYSA-N 1 2 408.458 2.903 50 0 HFAALO CCn1nc(C(=O)N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)c2ccccc2c1=O ZINC000070007257 571253723 /nfs/dbraw/zinc/25/37/23/571253723.db2.gz FEIVVKJDPYIJBG-UHFFFAOYSA-N 1 2 416.485 2.645 50 0 HFAALO Cc1cccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(C)c(F)c4)CC3)NC2=O)c1 ZINC000009526932 571266070 /nfs/dbraw/zinc/26/60/70/571266070.db2.gz XFPKDPNNKXLNBW-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO CCOC(=O)c1sc(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1C ZINC000010049879 571294570 /nfs/dbraw/zinc/29/45/70/571294570.db2.gz KLDUMEWWVDIFCX-CQSZACIVSA-N 1 2 404.488 2.944 50 0 HFAALO CCOC(=O)c1sc(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1C ZINC000010049879 571294571 /nfs/dbraw/zinc/29/45/71/571294571.db2.gz KLDUMEWWVDIFCX-CQSZACIVSA-N 1 2 404.488 2.944 50 0 HFAALO O=C(CNC(=O)Cc1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000010420810 571302208 /nfs/dbraw/zinc/30/22/08/571302208.db2.gz FACZTONBGYEUDB-UHFFFAOYSA-N 1 2 420.538 2.999 50 0 HFAALO O=C(CNC(=O)Cc1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000010420810 571302209 /nfs/dbraw/zinc/30/22/09/571302209.db2.gz FACZTONBGYEUDB-UHFFFAOYSA-N 1 2 420.538 2.999 50 0 HFAALO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000006605659 132312096 /nfs/dbraw/zinc/31/20/96/132312096.db2.gz HRGDWCJVRWUKRK-MDZDMXLPSA-N 1 2 404.514 2.682 50 0 HFAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1c3ccccc3NC(=O)C1(C)C)CC2 ZINC000007652233 132325353 /nfs/dbraw/zinc/32/53/53/132325353.db2.gz DOJLETYXUCBUQW-UHFFFAOYSA-N 1 2 409.486 2.826 50 0 HFAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1c3ccccc3NC(=O)C1(C)C)CC2 ZINC000007652233 132325354 /nfs/dbraw/zinc/32/53/54/132325354.db2.gz DOJLETYXUCBUQW-UHFFFAOYSA-N 1 2 409.486 2.826 50 0 HFAALO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000008313285 132329248 /nfs/dbraw/zinc/32/92/48/132329248.db2.gz QWZMKHNYBFJWMC-IBGZPJMESA-N 1 2 420.538 2.833 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000008778702 132333286 /nfs/dbraw/zinc/33/32/86/132333286.db2.gz GSIPYOIOAVJOCF-UHFFFAOYSA-N 1 2 424.526 2.845 50 0 HFAALO O=c1c(Cl)c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1 ZINC000009711817 132342902 /nfs/dbraw/zinc/34/29/02/132342902.db2.gz JPVRCUJZGXADRM-UHFFFAOYSA-N 1 2 424.888 2.937 50 0 HFAALO O=C(Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1)C1=CSCCO1 ZINC000009737642 132343147 /nfs/dbraw/zinc/34/31/47/132343147.db2.gz OMKCFMKFEVNGOI-UHFFFAOYSA-N 1 2 410.499 2.587 50 0 HFAALO O=C(C1=CCCCC1)N1CCC2(C[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000012245796 132357837 /nfs/dbraw/zinc/35/78/37/132357837.db2.gz PXTRIRMRLSHLAX-HXUWFJFHSA-N 1 2 408.546 2.859 50 0 HFAALO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000012517264 132361441 /nfs/dbraw/zinc/36/14/41/132361441.db2.gz FVAYMWWREIPASI-FQEVSTJZSA-N 1 2 408.546 2.911 50 0 HFAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)NC3(CCCCCC3)C2=O)Oc2ccccc21 ZINC000012543738 132362627 /nfs/dbraw/zinc/36/26/27/132362627.db2.gz BNYXDKMCVRCDDQ-KRWDZBQOSA-N 1 2 400.523 2.808 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)NC3(CCCCCC3)C2=O)Oc2ccccc21 ZINC000012543738 132362629 /nfs/dbraw/zinc/36/26/29/132362629.db2.gz BNYXDKMCVRCDDQ-KRWDZBQOSA-N 1 2 400.523 2.808 50 0 HFAALO C[N@@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032825331 523213064 /nfs/dbraw/zinc/21/30/64/523213064.db2.gz SUAWWKLWLUMEGH-UHFFFAOYSA-N 1 2 404.392 2.847 50 0 HFAALO C[N@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032825331 523213071 /nfs/dbraw/zinc/21/30/71/523213071.db2.gz SUAWWKLWLUMEGH-UHFFFAOYSA-N 1 2 404.392 2.847 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000032797345 524252993 /nfs/dbraw/zinc/25/29/93/524252993.db2.gz JZTGCAXZCFRCEQ-INIZCTEOSA-N 1 2 424.948 2.826 50 0 HFAALO COc1ccccc1CNC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000032888402 524463960 /nfs/dbraw/zinc/46/39/60/524463960.db2.gz YWKHGYKRBDLCKH-UHFFFAOYSA-N 1 2 424.497 2.678 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1[nH+]ccn1C ZINC000032842383 524738772 /nfs/dbraw/zinc/73/87/72/524738772.db2.gz RQUNSGHMXKOZRT-VGOFRKELSA-N 1 2 418.497 2.996 50 0 HFAALO COc1cccc(CO[C@@H](C)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000043042724 526054600 /nfs/dbraw/zinc/05/46/00/526054600.db2.gz XJERSFZFWWHITR-SFHVURJKSA-N 1 2 415.509 2.678 50 0 HFAALO Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000020537471 526249843 /nfs/dbraw/zinc/24/98/43/526249843.db2.gz KBDXJIPKGQHJAS-OAQYLSRUSA-N 1 2 423.561 2.695 50 0 HFAALO S=C(NCCC[NH+]1CCOCC1)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 ZINC000032903081 526384192 /nfs/dbraw/zinc/38/41/92/526384192.db2.gz AUWCSPBIOPWNCY-NRFANRHFSA-N 1 2 409.559 2.839 50 0 HFAALO S=C(NCCC[NH+]1CCOCC1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032903081 526384196 /nfs/dbraw/zinc/38/41/96/526384196.db2.gz AUWCSPBIOPWNCY-NRFANRHFSA-N 1 2 409.559 2.839 50 0 HFAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O ZINC000031812287 526396634 /nfs/dbraw/zinc/39/66/34/526396634.db2.gz WQWQWGCLGLGXMR-UHFFFAOYSA-N 1 2 402.454 2.611 50 0 HFAALO O=C(NCCc1c[nH]c[nH+]1)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O ZINC000031812287 526396640 /nfs/dbraw/zinc/39/66/40/526396640.db2.gz WQWQWGCLGLGXMR-UHFFFAOYSA-N 1 2 402.454 2.611 50 0 HFAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1ccccc1Cl ZINC000040284817 526414634 /nfs/dbraw/zinc/41/46/34/526414634.db2.gz HKRPFOVJPCFMOX-UHFFFAOYSA-N 1 2 400.910 2.870 50 0 HFAALO O=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802186 526682606 /nfs/dbraw/zinc/68/26/06/526682606.db2.gz HSAGDGROGLULPU-QFIPXVFZSA-N 1 2 422.529 2.686 50 0 HFAALO COc1cc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cc(OC)c1OC ZINC000033131242 536850229 /nfs/dbraw/zinc/85/02/29/536850229.db2.gz OFUUNJPPXVARAE-UHFFFAOYSA-N 1 2 418.519 2.982 50 0 HFAALO COc1cccc(N2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1 ZINC000001111908 537125224 /nfs/dbraw/zinc/12/52/24/537125224.db2.gz FPPZQTKXQYKCGI-LJQANCHMSA-N 1 2 417.868 2.942 50 0 HFAALO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000004299523 557537458 /nfs/dbraw/zinc/53/74/58/557537458.db2.gz MNBOOQIJWPTPNP-SFHVURJKSA-N 1 2 402.516 2.539 50 0 HFAALO CC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000004299523 557537462 /nfs/dbraw/zinc/53/74/62/557537462.db2.gz MNBOOQIJWPTPNP-SFHVURJKSA-N 1 2 402.516 2.539 50 0 HFAALO CCN1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918098 558260992 /nfs/dbraw/zinc/26/09/92/558260992.db2.gz DAFKUBZUCXPZNN-CYBMUJFWSA-N 1 2 422.161 2.589 50 0 HFAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccc3ncccc23)cc1 ZINC000011813113 558277670 /nfs/dbraw/zinc/27/76/70/558277670.db2.gz VIABDZDWNHTFLW-QHCPKHFHSA-N 1 2 416.525 2.892 50 0 HFAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2cccc3ncccc23)cc1 ZINC000011813113 558277671 /nfs/dbraw/zinc/27/76/71/558277671.db2.gz VIABDZDWNHTFLW-QHCPKHFHSA-N 1 2 416.525 2.892 50 0 HFAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)c(C)c1C ZINC000011840609 558286722 /nfs/dbraw/zinc/28/67/22/558286722.db2.gz SUXYUTDFQHBRKF-HXUWFJFHSA-N 1 2 401.551 2.842 50 0 HFAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)NC2CCCCCC2)c(C)c1C ZINC000011840609 558286723 /nfs/dbraw/zinc/28/67/23/558286723.db2.gz SUXYUTDFQHBRKF-HXUWFJFHSA-N 1 2 401.551 2.842 50 0 HFAALO CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000011871758 558290410 /nfs/dbraw/zinc/29/04/10/558290410.db2.gz IZZIYQVZEQKUTD-MRXNPFEDSA-N 1 2 415.490 2.833 50 0 HFAALO CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000011871758 558290412 /nfs/dbraw/zinc/29/04/12/558290412.db2.gz IZZIYQVZEQKUTD-MRXNPFEDSA-N 1 2 415.490 2.833 50 0 HFAALO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3n2)cc1 ZINC000019841203 558294241 /nfs/dbraw/zinc/29/42/41/558294241.db2.gz FQVOOPHRDVMCKS-UHFFFAOYSA-N 1 2 401.417 2.730 50 0 HFAALO O=S(=O)(C[C@H](CN1CCOCC1)[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000019991366 558317390 /nfs/dbraw/zinc/31/73/90/558317390.db2.gz YSASJWIWVSFWTQ-NRFANRHFSA-N 1 2 402.560 2.800 50 0 HFAALO O=C1c2ccccc2C(=O)N1CN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000020045361 558327215 /nfs/dbraw/zinc/32/72/15/558327215.db2.gz MQKCAFAHONVQHF-UHFFFAOYSA-N 1 2 414.303 2.820 50 0 HFAALO CCCc1c(C(=O)NCc2[nH]cc[nH+]2)c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000012150941 558339134 /nfs/dbraw/zinc/33/91/34/558339134.db2.gz YNMMIQCZUSVCSW-UHFFFAOYSA-N 1 2 408.458 2.539 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3nccn3-c3cccc(C)c3)C2)CC1 ZINC000020351961 558356923 /nfs/dbraw/zinc/35/69/23/558356923.db2.gz ZZETYFZXZHBUBY-OAQYLSRUSA-N 1 2 411.550 2.919 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3c(C)nn(CC)c3C)C[C@@H]2CCO)cc1 ZINC000020515746 558382815 /nfs/dbraw/zinc/38/28/15/558382815.db2.gz NCKDKBCBGLUHQE-NRFANRHFSA-N 1 2 400.567 2.987 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3c(C)nn(CC)c3C)C[C@@H]2CCO)cc1 ZINC000020515746 558382818 /nfs/dbraw/zinc/38/28/18/558382818.db2.gz NCKDKBCBGLUHQE-NRFANRHFSA-N 1 2 400.567 2.987 50 0 HFAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)C1 ZINC000004336992 558420696 /nfs/dbraw/zinc/42/06/96/558420696.db2.gz PCFFUKIUCCMPTF-GFCCVEGCSA-N 1 2 421.881 2.822 50 0 HFAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)C1 ZINC000004336992 558420697 /nfs/dbraw/zinc/42/06/97/558420697.db2.gz PCFFUKIUCCMPTF-GFCCVEGCSA-N 1 2 421.881 2.822 50 0 HFAALO O=c1[nH]c(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2cc(Cl)ccc12 ZINC000021847853 558452299 /nfs/dbraw/zinc/45/22/99/558452299.db2.gz MLROHZVONAOTNX-UHFFFAOYSA-N 1 2 412.877 2.623 50 0 HFAALO O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000022089329 558463196 /nfs/dbraw/zinc/46/31/96/558463196.db2.gz PXVMUCNPJCEVPL-UHFFFAOYSA-N 1 2 407.514 2.505 50 0 HFAALO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000022591412 558500174 /nfs/dbraw/zinc/50/01/74/558500174.db2.gz HNIVCONXPLZXGL-FGZHOGPDSA-N 1 2 406.486 2.743 50 0 HFAALO CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccc3nsnc3c2)CC1 ZINC000022752392 558507601 /nfs/dbraw/zinc/50/76/01/558507601.db2.gz XOJADUDZAHNHNG-UHFFFAOYSA-N 1 2 411.531 2.846 50 0 HFAALO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000013061634 558509902 /nfs/dbraw/zinc/50/99/02/558509902.db2.gz GUXHPZXLMVRRNN-OYHNWAKOSA-N 1 2 401.507 2.984 50 0 HFAALO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc3c(c1)OCCO3)C2=O ZINC000013061634 558509904 /nfs/dbraw/zinc/50/99/04/558509904.db2.gz GUXHPZXLMVRRNN-OYHNWAKOSA-N 1 2 401.507 2.984 50 0 HFAALO CC[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000022848400 558516549 /nfs/dbraw/zinc/51/65/49/558516549.db2.gz QMTWRXHNXDPBFQ-SVFBPWRDSA-N 1 2 400.567 2.526 50 0 HFAALO CCOc1ccccc1[C@@H]1C(C(N)=O)=C(C)N=C2[NH+]=C(c3ccc(OC)cc3)NN21 ZINC000013123453 558517925 /nfs/dbraw/zinc/51/79/25/558517925.db2.gz NMHSTTMKOCKHGH-LJQANCHMSA-N 1 2 405.458 2.531 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000022913722 558520486 /nfs/dbraw/zinc/52/04/86/558520486.db2.gz YJHYRRJRFKWATI-SZNDQCEHSA-N 1 2 413.547 2.653 50 0 HFAALO CC(C)Oc1ccc(C[NH+]2CCN(CC(=O)Nc3cccc4nonc43)CC2)cc1 ZINC000022923493 558522892 /nfs/dbraw/zinc/52/28/92/558522892.db2.gz NNFKYDZVHKKUDT-UHFFFAOYSA-N 1 2 409.490 2.766 50 0 HFAALO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1F ZINC000022929604 558523709 /nfs/dbraw/zinc/52/37/09/558523709.db2.gz KUOGYHKXSCEUCD-LNLFQRSKSA-N 1 2 418.557 2.583 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3cnn(C(C)C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023153479 558539470 /nfs/dbraw/zinc/53/94/70/558539470.db2.gz UCVWRQUIOYFFLA-FQEVSTJZSA-N 1 2 402.539 2.550 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3cnn(C(C)C)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000023153479 558539472 /nfs/dbraw/zinc/53/94/72/558539472.db2.gz UCVWRQUIOYFFLA-FQEVSTJZSA-N 1 2 402.539 2.550 50 0 HFAALO Cc1cccc(C(=O)N2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000023360816 558552241 /nfs/dbraw/zinc/55/22/41/558552241.db2.gz CIBIYTYYIXWFRY-HXUWFJFHSA-N 1 2 422.529 2.541 50 0 HFAALO CCOC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000023382177 558555718 /nfs/dbraw/zinc/55/57/18/558555718.db2.gz HAFKXGQEHNXWNQ-GOSISDBHSA-N 1 2 421.497 2.715 50 0 HFAALO CCOC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 ZINC000023382177 558555719 /nfs/dbraw/zinc/55/57/19/558555719.db2.gz HAFKXGQEHNXWNQ-GOSISDBHSA-N 1 2 421.497 2.715 50 0 HFAALO O=C(CSc1ccc2c(c1)OCCO2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023763135 558574930 /nfs/dbraw/zinc/57/49/30/558574930.db2.gz YYROAQWBBWXHBO-UHFFFAOYSA-N 1 2 414.527 2.699 50 0 HFAALO O=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023763286 558575250 /nfs/dbraw/zinc/57/52/50/558575250.db2.gz WTBJFJLVUKJMCB-UHFFFAOYSA-N 1 2 405.498 2.706 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccc(F)c1 ZINC000024015303 558584655 /nfs/dbraw/zinc/58/46/55/558584655.db2.gz WHJWOLFAZNFFOD-SFHVURJKSA-N 1 2 401.463 2.623 50 0 HFAALO O=C(CCCn1cnc2ccccc2c1=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000024612916 558605050 /nfs/dbraw/zinc/60/50/50/558605050.db2.gz VMMBPYMATPKYIW-UHFFFAOYSA-N 1 2 408.477 2.660 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)cc1F ZINC000024638309 558606028 /nfs/dbraw/zinc/60/60/28/558606028.db2.gz XRSAXKFLTNJPDH-UHFFFAOYSA-N 1 2 413.493 2.607 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000024664274 558606741 /nfs/dbraw/zinc/60/67/41/558606741.db2.gz VJCANDFOBFEHDY-UHFFFAOYSA-N 1 2 423.513 2.789 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc4ccccc4n3)c2)CC1 ZINC000025009647 558627077 /nfs/dbraw/zinc/62/70/77/558627077.db2.gz DACZAWVXMGQBLT-UHFFFAOYSA-N 1 2 424.526 2.813 50 0 HFAALO Cn1ncc2c1ncnc2N1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000025152601 558632861 /nfs/dbraw/zinc/63/28/61/558632861.db2.gz AULKMYWGQWWMOR-UHFFFAOYSA-N 1 2 407.305 2.871 50 0 HFAALO Cc1nc2scc(-c3cccs3)c2c(N2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000014232099 558640072 /nfs/dbraw/zinc/64/00/72/558640072.db2.gz TXMRVUGPDLUPSE-UHFFFAOYSA-N 1 2 401.561 2.938 50 0 HFAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000022934224 558654431 /nfs/dbraw/zinc/65/44/31/558654431.db2.gz UDKBVGUCFVYIQY-IBGZPJMESA-N 1 2 400.567 2.697 50 0 HFAALO Cc1ccc(N2CC[NH+](Cc3nc(-c4ccc(N5CCOCC5)nc4)no3)CC2)cc1 ZINC000065216347 558662072 /nfs/dbraw/zinc/66/20/72/558662072.db2.gz XKWRTNIHSJMCCQ-UHFFFAOYSA-N 1 2 420.517 2.599 50 0 HFAALO C[C@@H](NC(=O)c1nn(CCO)c2c1C[N@H+](Cc1cccc(O)c1)CC2)c1ccccc1 ZINC000014731458 558665523 /nfs/dbraw/zinc/66/55/23/558665523.db2.gz KHNASVRBQVBDRP-QGZVFWFLSA-N 1 2 420.513 2.630 50 0 HFAALO C[C@@H](NC(=O)c1nn(CCO)c2c1C[N@@H+](Cc1cccc(O)c1)CC2)c1ccccc1 ZINC000014731458 558665525 /nfs/dbraw/zinc/66/55/25/558665525.db2.gz KHNASVRBQVBDRP-QGZVFWFLSA-N 1 2 420.513 2.630 50 0 HFAALO CC(C)CS(=O)(=O)c1ncc(C[N@H+](C)C2CCOCC2)n1Cc1ccccc1 ZINC000015062360 558705322 /nfs/dbraw/zinc/70/53/22/558705322.db2.gz SJSPCOCYSKQMJD-UHFFFAOYSA-N 1 2 405.564 2.972 50 0 HFAALO CC(C)CS(=O)(=O)c1ncc(C[N@@H+](C)C2CCOCC2)n1Cc1ccccc1 ZINC000015062360 558705327 /nfs/dbraw/zinc/70/53/27/558705327.db2.gz SJSPCOCYSKQMJD-UHFFFAOYSA-N 1 2 405.564 2.972 50 0 HFAALO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000028875295 558706502 /nfs/dbraw/zinc/70/65/02/558706502.db2.gz IJMGTYJOUZNEHQ-UXHICEINSA-N 1 2 417.550 2.823 50 0 HFAALO Cc1cc2oc(=O)cc(CN3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)c2cc1C ZINC000029677633 558718702 /nfs/dbraw/zinc/71/87/02/558718702.db2.gz YQWBRDJVPAHRIM-IBGZPJMESA-N 1 2 411.546 2.928 50 0 HFAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c2cc1C ZINC000029677633 558718708 /nfs/dbraw/zinc/71/87/08/558718708.db2.gz YQWBRDJVPAHRIM-IBGZPJMESA-N 1 2 411.546 2.928 50 0 HFAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCc1ccccc1CN1CCCC1=O ZINC000029730974 558719518 /nfs/dbraw/zinc/71/95/18/558719518.db2.gz PJNUFSQUMXDRGV-UHFFFAOYSA-N 1 2 407.518 2.804 50 0 HFAALO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000030299179 558728422 /nfs/dbraw/zinc/72/84/22/558728422.db2.gz LHTLCRDMSVPQSY-UHFFFAOYSA-N 1 2 422.938 2.516 50 0 HFAALO COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1Cl ZINC000015656679 558747842 /nfs/dbraw/zinc/74/78/42/558747842.db2.gz QWZDAJGWNLECNN-UHFFFAOYSA-N 1 2 423.922 2.537 50 0 HFAALO CCOC(=O)c1ccc(NC(=O)CN(CC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000072308424 558769336 /nfs/dbraw/zinc/76/93/36/558769336.db2.gz YYZFTMDTTPMZOP-UHFFFAOYSA-N 1 2 411.502 2.641 50 0 HFAALO COc1ccc2c(c1)CCC[C@@H]2CC(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000072310663 558777609 /nfs/dbraw/zinc/77/76/09/558777609.db2.gz CWJJSGKTGJPCBG-HXUWFJFHSA-N 1 2 414.546 2.993 50 0 HFAALO Cc1ccc(C(=O)Nc2c(C(=O)N3CC[NH+](C)CC3)cnn2-c2ccccc2)cc1 ZINC000022022936 558778923 /nfs/dbraw/zinc/77/89/23/558778923.db2.gz ZCHBKJUUECFNGG-UHFFFAOYSA-N 1 2 403.486 2.821 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccccc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000004584877 558780263 /nfs/dbraw/zinc/78/02/63/558780263.db2.gz DEXSSAVMFOGUIM-INIZCTEOSA-N 1 2 400.504 2.987 50 0 HFAALO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[NH+]1CCN(c2ncccn2)CC1 ZINC000016390980 558789325 /nfs/dbraw/zinc/78/93/25/558789325.db2.gz UBKCQHMZJVHHAN-GFCCVEGCSA-N 1 2 411.840 2.881 50 0 HFAALO FC(F)(F)c1ccc(N2CCC[N@H+](Cn3nnc(-c4ccccc4)n3)CC2)nc1 ZINC000016875805 558808734 /nfs/dbraw/zinc/80/87/34/558808734.db2.gz ABBYRESAMZMJLU-UHFFFAOYSA-N 1 2 403.412 2.924 50 0 HFAALO FC(F)(F)c1ccc(N2CCC[N@@H+](Cn3nnc(-c4ccccc4)n3)CC2)nc1 ZINC000016875805 558808735 /nfs/dbraw/zinc/80/87/35/558808735.db2.gz ABBYRESAMZMJLU-UHFFFAOYSA-N 1 2 403.412 2.924 50 0 HFAALO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000038530957 558812688 /nfs/dbraw/zinc/81/26/88/558812688.db2.gz ANUOEZOPESBOIZ-UHFFFAOYSA-N 1 2 415.563 2.595 50 0 HFAALO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000038530957 558812692 /nfs/dbraw/zinc/81/26/92/558812692.db2.gz ANUOEZOPESBOIZ-UHFFFAOYSA-N 1 2 415.563 2.595 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1 ZINC000039490265 558821756 /nfs/dbraw/zinc/82/17/56/558821756.db2.gz WOTGEHCSQZAPNI-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1 ZINC000039490265 558821758 /nfs/dbraw/zinc/82/17/58/558821758.db2.gz WOTGEHCSQZAPNI-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 ZINC000018222520 558834169 /nfs/dbraw/zinc/83/41/69/558834169.db2.gz WJQMDYUQHGSZNX-SFHVURJKSA-N 1 2 409.511 2.667 50 0 HFAALO COc1cc(NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c(OC)cc1Cl ZINC000060099581 558941046 /nfs/dbraw/zinc/94/10/46/558941046.db2.gz WAKSPUMXRXBMCY-UHFFFAOYSA-N 1 2 410.927 2.965 50 0 HFAALO COc1cc(NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)c(OC)cc1Cl ZINC000060099581 558941048 /nfs/dbraw/zinc/94/10/48/558941048.db2.gz WAKSPUMXRXBMCY-UHFFFAOYSA-N 1 2 410.927 2.965 50 0 HFAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4cccn4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000067602201 558987982 /nfs/dbraw/zinc/98/79/82/558987982.db2.gz JWXWCQWYWUIOPM-UHFFFAOYSA-N 1 2 407.478 2.642 50 0 HFAALO Cc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000067604179 558988349 /nfs/dbraw/zinc/98/83/49/558988349.db2.gz UADWHQYDWCVQKP-UHFFFAOYSA-N 1 2 401.532 2.633 50 0 HFAALO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000096833029 558993515 /nfs/dbraw/zinc/99/35/15/558993515.db2.gz OQFAJESUAYKIOZ-INIZCTEOSA-N 1 2 406.958 2.734 50 0 HFAALO C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117790 558996083 /nfs/dbraw/zinc/99/60/83/558996083.db2.gz QVXHHYLNGFPVBL-PGRDOPGGSA-N 1 2 417.575 2.663 50 0 HFAALO C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117790 558996085 /nfs/dbraw/zinc/99/60/85/558996085.db2.gz QVXHHYLNGFPVBL-PGRDOPGGSA-N 1 2 417.575 2.663 50 0 HFAALO C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023247947 559065999 /nfs/dbraw/zinc/06/59/99/559065999.db2.gz XULNZBPDPCKMEL-IBGZPJMESA-N 1 2 412.578 2.523 50 0 HFAALO C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023247946 559066005 /nfs/dbraw/zinc/06/60/05/559066005.db2.gz XULNZBPDPCKMEL-LJQANCHMSA-N 1 2 412.578 2.523 50 0 HFAALO O=C(C[NH+]1CCC(NC(=O)c2cnn(Cc3ccccc3)c2)CC1)Nc1ccccc1 ZINC000011526201 559087619 /nfs/dbraw/zinc/08/76/19/559087619.db2.gz ZPZYBEZANAFLCC-UHFFFAOYSA-N 1 2 417.513 2.764 50 0 HFAALO Cc1cccc(CN2CC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2CCO)n1 ZINC000096851283 559112502 /nfs/dbraw/zinc/11/25/02/559112502.db2.gz KZZMHVHGELUNNM-QHCPKHFHSA-N 1 2 409.509 2.784 50 0 HFAALO Cc1cccc(CN2CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]2CCO)n1 ZINC000096851283 559112503 /nfs/dbraw/zinc/11/25/03/559112503.db2.gz KZZMHVHGELUNNM-QHCPKHFHSA-N 1 2 409.509 2.784 50 0 HFAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000100033999 559128991 /nfs/dbraw/zinc/12/89/91/559128991.db2.gz OQBMOLNUXUAYSH-SFHVURJKSA-N 1 2 414.303 2.903 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)N2CCCCCC2)CC1)Nc1ccc2ccccc2c1 ZINC000084605901 559155595 /nfs/dbraw/zinc/15/55/95/559155595.db2.gz NAGUNGKAQBRETL-UHFFFAOYSA-N 1 2 408.546 2.799 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccccn1 ZINC000011821524 559260598 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2.825 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000108127629 560898067 /nfs/dbraw/zinc/89/80/67/560898067.db2.gz UGRICPRGGRCYII-RYUDHWBXSA-N 1 2 414.877 2.825 50 0 HFAALO CC[N@H+](CCCNC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C)c1ccccc1 ZINC000048276498 568435670 /nfs/dbraw/zinc/43/56/70/568435670.db2.gz DVUFQCIENNDBJG-JOCHJYFZSA-N 1 2 422.533 2.807 50 0 HFAALO CC[N@@H+](CCCNC(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C)c1ccccc1 ZINC000048276498 568435671 /nfs/dbraw/zinc/43/56/71/568435671.db2.gz DVUFQCIENNDBJG-JOCHJYFZSA-N 1 2 422.533 2.807 50 0 HFAALO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000048286211 568435984 /nfs/dbraw/zinc/43/59/84/568435984.db2.gz XBJCNIDTGYJINK-KRWDZBQOSA-N 1 2 409.324 2.998 50 0 HFAALO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000048286211 568435985 /nfs/dbraw/zinc/43/59/85/568435985.db2.gz XBJCNIDTGYJINK-KRWDZBQOSA-N 1 2 409.324 2.998 50 0 HFAALO C[C@@H]1CN(C(=O)C2CC[NH+](Cn3c(=O)oc4cc(Cl)ccc43)CC2)C[C@@H](C)O1 ZINC000048341639 568440365 /nfs/dbraw/zinc/44/03/65/568440365.db2.gz MAFTVCDAROBWOY-ZIAGYGMSSA-N 1 2 407.898 2.553 50 0 HFAALO COc1cc(NC(=O)c2cn(-c3cc(N4CCCCC4)[nH+]cn3)cn2)cc(OC)c1 ZINC000049411216 568450056 /nfs/dbraw/zinc/45/00/56/568450056.db2.gz RHIMPGAMYWMBGI-UHFFFAOYSA-N 1 2 408.462 2.922 50 0 HFAALO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2F)C1=O ZINC000049574863 568452218 /nfs/dbraw/zinc/45/22/18/568452218.db2.gz KKLVPOYUDFWBCN-QFIPXVFZSA-N 1 2 415.465 2.960 50 0 HFAALO CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2F)C1=O ZINC000049574863 568452219 /nfs/dbraw/zinc/45/22/19/568452219.db2.gz KKLVPOYUDFWBCN-QFIPXVFZSA-N 1 2 415.465 2.960 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1 ZINC000012360422 568509390 /nfs/dbraw/zinc/50/93/90/568509390.db2.gz XQVVXYZRHGEZHF-UHFFFAOYSA-N 1 2 419.367 2.503 50 0 HFAALO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287791 568597180 /nfs/dbraw/zinc/59/71/80/568597180.db2.gz HXKRCKUYYYXNJY-FOIQADDNSA-N 1 2 403.548 2.872 50 0 HFAALO COc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)c(OC)c1OC ZINC000095432572 568609316 /nfs/dbraw/zinc/60/93/16/568609316.db2.gz RQVLCSFQWDZRCW-HNNXBMFYSA-N 1 2 402.455 2.758 50 0 HFAALO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000095453200 568615551 /nfs/dbraw/zinc/61/55/51/568615551.db2.gz BGZPZBQUNXKYDE-FQEVSTJZSA-N 1 2 418.559 2.526 50 0 HFAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)c[nH+]2)C[C@H](C)O1 ZINC000040106817 568618027 /nfs/dbraw/zinc/61/80/27/568618027.db2.gz NGBXHMFHNRAGED-KSMMKXTCSA-N 1 2 401.894 2.969 50 0 HFAALO COc1ccc([C@@H]2[C@@H](C(=O)NCCc3c[nH+]c[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479283 568632642 /nfs/dbraw/zinc/63/26/42/568632642.db2.gz WNEHNKWMYHWEQZ-LEWJYISDSA-N 1 2 404.470 2.688 50 0 HFAALO COc1ccc([C@@H]2[C@@H](C(=O)NCCc3c[nH]c[nH+]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479283 568632644 /nfs/dbraw/zinc/63/26/44/568632644.db2.gz WNEHNKWMYHWEQZ-LEWJYISDSA-N 1 2 404.470 2.688 50 0 HFAALO O=C(c1cccn1-c1nnc(N2CCCCC2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000021535426 568711827 /nfs/dbraw/zinc/71/18/27/568711827.db2.gz ZZJSOWRKDDKBEU-UHFFFAOYSA-N 1 2 423.546 2.677 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1Cc1ccc(C)cc1 ZINC000096317579 568726747 /nfs/dbraw/zinc/72/67/47/568726747.db2.gz NWJDDVDTUAHCNL-HXUWFJFHSA-N 1 2 408.546 2.932 50 0 HFAALO O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000018699408 568738536 /nfs/dbraw/zinc/73/85/36/568738536.db2.gz BAUOGVKXLWJUJM-UHFFFAOYSA-N 1 2 417.469 2.795 50 0 HFAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1F ZINC000019080166 568752714 /nfs/dbraw/zinc/75/27/14/568752714.db2.gz AXDQXGJOYNPWFR-OAHLLOKOSA-N 1 2 403.464 2.632 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@H](c1cccc(OC)c1)N1CC[NH+](CC)CC1)S2 ZINC000022578121 568770260 /nfs/dbraw/zinc/77/02/60/568770260.db2.gz NWYSWDAQHOYDRP-KRWDZBQOSA-N 1 2 401.536 2.794 50 0 HFAALO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000057350918 568827545 /nfs/dbraw/zinc/82/75/45/568827545.db2.gz NQAVDAUKXLNHHJ-UHFFFAOYSA-N 1 2 406.442 2.503 50 0 HFAALO CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)NC(=O)N1 ZINC000057414814 568833600 /nfs/dbraw/zinc/83/36/00/568833600.db2.gz IWQKVWMVLSNGKY-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)NC(=O)N1 ZINC000057414814 568833602 /nfs/dbraw/zinc/83/36/02/568833602.db2.gz IWQKVWMVLSNGKY-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3ccc(C)cc3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414339 568833725 /nfs/dbraw/zinc/83/37/25/568833725.db2.gz NCFVVBRRIMJTTI-JOCHJYFZSA-N 1 2 420.513 2.598 50 0 HFAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000057452450 568837914 /nfs/dbraw/zinc/83/79/14/568837914.db2.gz YHCVTFVSOAEOEP-SFHVURJKSA-N 1 2 422.558 2.962 50 0 HFAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000057452450 568837916 /nfs/dbraw/zinc/83/79/16/568837916.db2.gz YHCVTFVSOAEOEP-SFHVURJKSA-N 1 2 422.558 2.962 50 0 HFAALO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+]3CCC[C@H](CO)C3)c2c1 ZINC000003244581 568866810 /nfs/dbraw/zinc/86/68/10/568866810.db2.gz JGZYUJMPXPFUGK-AWEZNQCLSA-N 1 2 413.565 2.656 50 0 HFAALO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@H+]3CCC[C@H](CO)C3)c2c1 ZINC000003244581 568866812 /nfs/dbraw/zinc/86/68/12/568866812.db2.gz JGZYUJMPXPFUGK-AWEZNQCLSA-N 1 2 413.565 2.656 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000004127872 568877633 /nfs/dbraw/zinc/87/76/33/568877633.db2.gz TZNFGVJRQISOHK-KGVIQGDOSA-N 1 2 415.442 2.733 50 0 in-vitro HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000004127872 568877634 /nfs/dbraw/zinc/87/76/34/568877634.db2.gz TZNFGVJRQISOHK-KGVIQGDOSA-N 1 2 415.442 2.733 50 0 in-vitro HFAALO O=C(NC1CC[NH+](Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1)c1ccccc1 ZINC000263616909 568911220 /nfs/dbraw/zinc/91/12/20/568911220.db2.gz LDJYSNXOVAXZPT-QHCPKHFHSA-N 1 2 417.513 2.944 50 0 HFAALO Cc1cccc(CN2CC[N@H+](Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)n1 ZINC000104333486 569008292 /nfs/dbraw/zinc/00/82/92/569008292.db2.gz OLCJOYWUQBVCLB-OAQYLSRUSA-N 1 2 409.509 2.784 50 0 HFAALO Cc1cccc(CN2CC[N@@H+](Cc3cnn(-c4ccccc4F)c3)C[C@H]2CCO)n1 ZINC000104333486 569008293 /nfs/dbraw/zinc/00/82/93/569008293.db2.gz OLCJOYWUQBVCLB-OAQYLSRUSA-N 1 2 409.509 2.784 50 0 HFAALO C[C@]1(NC(=O)C[N@H+](CCc2cccs2)Cc2cccs2)CCS(=O)(=O)C1 ZINC000012882250 569018770 /nfs/dbraw/zinc/01/87/70/569018770.db2.gz QSQMQYKOMKXVMI-SFHVURJKSA-N 1 2 412.602 2.548 50 0 HFAALO C[C@]1(NC(=O)C[N@@H+](CCc2cccs2)Cc2cccs2)CCS(=O)(=O)C1 ZINC000012882250 569018771 /nfs/dbraw/zinc/01/87/71/569018771.db2.gz QSQMQYKOMKXVMI-SFHVURJKSA-N 1 2 412.602 2.548 50 0 HFAALO O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015942599 569024233 /nfs/dbraw/zinc/02/42/33/569024233.db2.gz QTZBAQKHKZFAFU-UHFFFAOYSA-N 1 2 416.481 2.862 50 0 HFAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016040654 569028197 /nfs/dbraw/zinc/02/81/97/569028197.db2.gz DPLNZRQFKDPHCX-CLAROIROSA-N 1 2 416.433 2.562 50 0 biogenic HFAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016040654 569028198 /nfs/dbraw/zinc/02/81/98/569028198.db2.gz DPLNZRQFKDPHCX-CLAROIROSA-N 1 2 416.433 2.562 50 0 biogenic HFAALO Cc1cccc(C2=NC3(CC[NH+](CC(=O)Nc4cc(C)cc(C)c4)CC3)NC2=O)c1 ZINC000035430806 569036840 /nfs/dbraw/zinc/03/68/40/569036840.db2.gz LICYJDUYAPHOGA-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 biogenic HFAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)CCCc2ccccc2)C[C@H](C)O1 ZINC000035590457 569045377 /nfs/dbraw/zinc/04/53/77/569045377.db2.gz ADQVYNYGMVSSPQ-HDICACEKSA-N 1 2 422.533 2.579 50 0 HFAALO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000035593013 569045487 /nfs/dbraw/zinc/04/54/87/569045487.db2.gz LLUFXQNRMSXOIE-FQEVSTJZSA-N 1 2 408.495 2.576 50 0 HFAALO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1F ZINC000035593013 569045488 /nfs/dbraw/zinc/04/54/88/569045488.db2.gz LLUFXQNRMSXOIE-FQEVSTJZSA-N 1 2 408.495 2.576 50 0 HFAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C(=O)OCC)CC1)CCC2 ZINC000006497668 569061375 /nfs/dbraw/zinc/06/13/75/569061375.db2.gz FDIDSKXUZXIAHP-UHFFFAOYSA-N 1 2 408.520 2.627 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)c3nncn3C)csc2C1 ZINC000426471585 569073224 /nfs/dbraw/zinc/07/32/24/569073224.db2.gz OPNOAOSKBFMCFY-LBPRGKRZSA-N 1 2 400.508 2.531 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)c3nncn3C)csc2C1 ZINC000426471585 569073225 /nfs/dbraw/zinc/07/32/25/569073225.db2.gz OPNOAOSKBFMCFY-LBPRGKRZSA-N 1 2 400.508 2.531 50 0 HFAALO CNC(=O)[C@@H]1CCCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426574722 569073493 /nfs/dbraw/zinc/07/34/93/569073493.db2.gz LIEGEBJARZWIJJ-OAHLLOKOSA-N 1 2 416.547 2.509 50 0 HFAALO CNC(=O)[C@@H]1CCCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426574722 569073494 /nfs/dbraw/zinc/07/34/94/569073494.db2.gz LIEGEBJARZWIJJ-OAHLLOKOSA-N 1 2 416.547 2.509 50 0 HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)CC1 ZINC000006612660 569074289 /nfs/dbraw/zinc/07/42/89/569074289.db2.gz JTXPKGMUXQBNKZ-ZDUSSCGKSA-N 1 2 422.547 2.873 50 0 HFAALO CC[C@H](C)CN1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024580 569077591 /nfs/dbraw/zinc/07/75/91/569077591.db2.gz NASPXEWCEVURFL-PKOBYXMFSA-N 1 2 407.580 2.670 50 0 HFAALO O=C(NCc1ccccn1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000036253436 569119718 /nfs/dbraw/zinc/11/97/18/569119718.db2.gz OHZWSBLDBHAMDC-JOCHJYFZSA-N 1 2 424.520 2.854 50 0 HFAALO O=C(NCc1ccccn1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036253428 569119735 /nfs/dbraw/zinc/11/97/35/569119735.db2.gz YYCNSMPTZYNOMC-QFIPXVFZSA-N 1 2 424.520 2.854 50 0 HFAALO COc1ccccc1CNC(=O)C[N@@H+]1CCc2[nH]c3c(C)c(C)ccc3c(=O)c2C1 ZINC000065034860 569158269 /nfs/dbraw/zinc/15/82/69/569158269.db2.gz LWUNZIJRRVYLGJ-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO COc1ccccc1CNC(=O)C[N@H+]1CCc2[nH]c3c(C)c(C)ccc3c(=O)c2C1 ZINC000065034860 569158270 /nfs/dbraw/zinc/15/82/70/569158270.db2.gz LWUNZIJRRVYLGJ-UHFFFAOYSA-N 1 2 405.498 2.828 50 0 HFAALO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)c1 ZINC000036392059 569167374 /nfs/dbraw/zinc/16/73/74/569167374.db2.gz AEGFFPQBZPVYHQ-PMACEKPBSA-N 1 2 400.567 2.649 50 0 HFAALO O=C(NCCc1ccccc1)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237195 569202691 /nfs/dbraw/zinc/20/26/91/569202691.db2.gz MIESJYVRMBUHMT-UHFFFAOYSA-N 1 2 411.575 2.605 50 0 HFAALO O=C(NCCc1ccccc1)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237195 569202692 /nfs/dbraw/zinc/20/26/92/569202692.db2.gz MIESJYVRMBUHMT-UHFFFAOYSA-N 1 2 411.575 2.605 50 0 HFAALO COc1cccc(CNC(=O)c2cn(-c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)cn2)c1 ZINC000065239933 569203619 /nfs/dbraw/zinc/20/36/19/569203619.db2.gz NFKXVWLPAFGBNF-MRXNPFEDSA-N 1 2 406.490 2.837 50 0 HFAALO CCn1ccc(C(=O)N2CC[C@]3(C2)[NH2+]Cc2ccccc2NC3=NC2CCCC2)n1 ZINC000065265923 569213092 /nfs/dbraw/zinc/21/30/92/569213092.db2.gz NIPJTXMFZRJPLC-HSZRJFAPSA-N 1 2 406.534 2.853 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700274 569222615 /nfs/dbraw/zinc/22/26/15/569222615.db2.gz KXNUXSISRGKJDV-NRFANRHFSA-N 1 2 404.532 2.827 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700274 569222616 /nfs/dbraw/zinc/22/26/16/569222616.db2.gz KXNUXSISRGKJDV-NRFANRHFSA-N 1 2 404.532 2.827 50 0 HFAALO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cnn(-c4ccccc4F)c3)c2)CC1 ZINC000170602469 569243789 /nfs/dbraw/zinc/24/37/89/569243789.db2.gz OTFQHSCTAZBDHO-UHFFFAOYSA-N 1 2 421.476 2.928 50 0 HFAALO CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000170620959 569248823 /nfs/dbraw/zinc/24/88/23/569248823.db2.gz KPQWXFLREZJHII-GOSISDBHSA-N 1 2 411.502 2.959 50 0 HFAALO NC(=O)COc1ccc(CNC(=O)C[NH+]2Cc3ccccc3-c3ccccc3C2)cc1 ZINC000071854201 569254649 /nfs/dbraw/zinc/25/46/49/569254649.db2.gz GYSPWCGCVRZUBE-UHFFFAOYSA-N 1 2 415.493 2.850 50 0 HFAALO C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000026890006 569357808 /nfs/dbraw/zinc/35/78/08/569357808.db2.gz OOZDKRJIJFEWIQ-BDXSIMOUSA-N 1 2 416.591 2.999 50 0 HFAALO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)[NH+]1CCCC1 ZINC000253415348 569367174 /nfs/dbraw/zinc/36/71/74/569367174.db2.gz KXFXJQVXBXWNNL-GOSISDBHSA-N 1 2 420.506 2.805 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000067649768 569398025 /nfs/dbraw/zinc/39/80/25/569398025.db2.gz JAAKDEFPUKZOLF-MFJULSPGSA-N 1 2 416.525 2.731 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000067649768 569398026 /nfs/dbraw/zinc/39/80/26/569398026.db2.gz JAAKDEFPUKZOLF-MFJULSPGSA-N 1 2 416.525 2.731 50 0 HFAALO CC(C)C(=O)OC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000078822625 569420745 /nfs/dbraw/zinc/42/07/45/569420745.db2.gz IKAAYLAKXHCSFW-UHFFFAOYSA-N 1 2 418.353 2.886 50 0 HFAALO Cc1cc(N2CCC(NC(=O)/C=C/c3c(Cl)nc4sccn34)CC2)nc[nH+]1 ZINC000079045515 569425191 /nfs/dbraw/zinc/42/51/91/569425191.db2.gz HJRCPVNOMUQMFT-NSCUHMNNSA-N 1 2 402.911 2.946 50 0 HFAALO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000079111897 569428242 /nfs/dbraw/zinc/42/82/42/569428242.db2.gz VTLSJJYOKMJFLL-INIZCTEOSA-N 1 2 423.535 2.907 50 0 HFAALO O=C1C(Cl)=C(N2CC[NH+](Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000019793105 569430040 /nfs/dbraw/zinc/43/00/40/569430040.db2.gz YEBGRHLATTZKCC-UHFFFAOYSA-N 1 2 409.917 2.866 50 0 HFAALO CCN(CC)C(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000067291460 571067244 /nfs/dbraw/zinc/06/72/44/571067244.db2.gz SFFCJMGFJPEANB-UHFFFAOYSA-N 1 2 404.511 2.840 50 0 HFAALO CCN(CC)C(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000067291460 571067246 /nfs/dbraw/zinc/06/72/46/571067246.db2.gz SFFCJMGFJPEANB-UHFFFAOYSA-N 1 2 404.511 2.840 50 0 HFAALO CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccc(Cl)cc2)n(C)c1=O ZINC000008704591 571102903 /nfs/dbraw/zinc/10/29/03/571102903.db2.gz RWARHHCRHSNSSH-LBPRGKRZSA-N 1 2 400.870 2.527 50 0 HFAALO Cc1cc(N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)nc(N)[nH+]1 ZINC000008752600 571112461 /nfs/dbraw/zinc/11/24/61/571112461.db2.gz QVSRHBYXCVKMAQ-AWEZNQCLSA-N 1 2 416.201 2.995 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1)N1CCCCCC1 ZINC000040002644 571137659 /nfs/dbraw/zinc/13/76/59/571137659.db2.gz XWDHGRHWCUNBOG-UHFFFAOYSA-N 1 2 401.595 2.792 50 0 HFAALO O=S(=O)(c1ccc(F)cc1Cl)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040058634 571146066 /nfs/dbraw/zinc/14/60/66/571146066.db2.gz ZRFGOVPUXMEYQX-UHFFFAOYSA-N 1 2 408.886 2.633 50 0 HFAALO O=C(c1cccnc1OCC(F)(F)F)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000040070026 571151142 /nfs/dbraw/zinc/15/11/42/571151142.db2.gz XSKNOMVJAOTAJM-UHFFFAOYSA-N 1 2 409.408 2.860 50 0 HFAALO O=C(CCOc1ccc(Br)cc1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040082235 571156239 /nfs/dbraw/zinc/15/62/39/571156239.db2.gz ABDGFRMNOIBYPA-UHFFFAOYSA-N 1 2 420.307 2.766 50 0 HFAALO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000040082844 571156480 /nfs/dbraw/zinc/15/64/80/571156480.db2.gz IKDSULDUQDPCNF-UHFFFAOYSA-N 1 2 404.449 2.822 50 0 HFAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000245237212 571219190 /nfs/dbraw/zinc/21/91/90/571219190.db2.gz GJTFICJORJAICZ-HKUYNNGSSA-N 1 2 412.486 2.797 50 0 HFAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000245237212 571219191 /nfs/dbraw/zinc/21/91/91/571219191.db2.gz GJTFICJORJAICZ-HKUYNNGSSA-N 1 2 412.486 2.797 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000009219523 571238070 /nfs/dbraw/zinc/23/80/70/571238070.db2.gz SHKFTXFUAZPWDT-FQEVSTJZSA-N 1 2 424.526 2.724 50 0 HFAALO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C(=O)N3CCOCC3)o2)cc1 ZINC000069930319 571250271 /nfs/dbraw/zinc/25/02/71/571250271.db2.gz PRJZJDFGRCFLQM-LJQANCHMSA-N 1 2 414.506 2.739 50 0 HFAALO CCCCOc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C(=O)N3CCOCC3)o2)cc1 ZINC000069930319 571250272 /nfs/dbraw/zinc/25/02/72/571250272.db2.gz PRJZJDFGRCFLQM-LJQANCHMSA-N 1 2 414.506 2.739 50 0 HFAALO Cc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2 ZINC000009526875 571266111 /nfs/dbraw/zinc/26/61/11/571266111.db2.gz VSZZAGQZSOCBKU-UHFFFAOYSA-N 1 2 410.905 2.998 50 0 biogenic HFAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000071332925 571292849 /nfs/dbraw/zinc/29/28/49/571292849.db2.gz FGWJMYZWDGSGLL-CQSZACIVSA-N 1 2 421.423 2.959 50 0 HFAALO C[C@H](Nc1nc(N2CCN(S(C)(=O)=O)CC2)[nH+]c2ccccc21)c1ccccc1 ZINC000000810712 132233431 /nfs/dbraw/zinc/23/34/31/132233431.db2.gz JFXSYJJCDCLNHT-INIZCTEOSA-N 1 2 411.531 2.885 50 0 HFAALO O=C1C[C@@H](c2ccccc2O)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000004992933 132297786 /nfs/dbraw/zinc/29/77/86/132297786.db2.gz ATUOEFCRKWFVLL-INIZCTEOSA-N 1 2 401.470 2.817 50 0 HFAALO O=C(Cn1c2ccccc2nc1-c1cscn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008134471 132327733 /nfs/dbraw/zinc/32/77/33/132327733.db2.gz MOXWAKBZAYCMJV-UHFFFAOYSA-N 1 2 404.499 2.904 50 0 HFAALO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 ZINC000009379049 132339205 /nfs/dbraw/zinc/33/92/05/132339205.db2.gz SUSFLVMRAISORG-FQEVSTJZSA-N 1 2 422.529 2.971 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 ZINC000009379049 132339206 /nfs/dbraw/zinc/33/92/06/132339206.db2.gz SUSFLVMRAISORG-FQEVSTJZSA-N 1 2 422.529 2.971 50 0 HFAALO Cc1cc(C)nc(N2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)n1 ZINC000012111663 132354140 /nfs/dbraw/zinc/35/41/40/132354140.db2.gz HQHRQFCHYPIZHR-FQEVSTJZSA-N 1 2 408.550 2.834 50 0 HFAALO CCN1C[C@@H](C[N@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 ZINC000012543848 132362611 /nfs/dbraw/zinc/36/26/11/132362611.db2.gz SVESHTHLYHXKQC-PSCUFVCCSA-N 1 2 400.523 2.664 50 0 HFAALO CCN1C[C@@H](C[N@@H+](C)CN2C(=O)NC3(CCC(C)CC3)C2=O)Oc2ccccc21 ZINC000012543848 132362613 /nfs/dbraw/zinc/36/26/13/132362613.db2.gz SVESHTHLYHXKQC-PSCUFVCCSA-N 1 2 400.523 2.664 50 0 HFAALO Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000012606236 132364952 /nfs/dbraw/zinc/36/49/52/132364952.db2.gz AFKDMDWREDGCHC-UHFFFAOYSA-N 1 2 412.509 2.628 50 0 HFAALO O=C(CCSCc1cn2ccccc2n1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012733787 132366288 /nfs/dbraw/zinc/36/62/88/132366288.db2.gz LLDQYEXIZKCYJR-UHFFFAOYSA-N 1 2 411.531 2.506 50 0 HFAALO CC(C)(CNC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)[NH+]1CCOCC1 ZINC000032784243 519259449 /nfs/dbraw/zinc/25/94/49/519259449.db2.gz KYQAJXREOQPWFL-FQEVSTJZSA-N 1 2 423.557 2.919 50 0 HFAALO CC(C)=C1c2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2NC1=O ZINC000020577862 519394472 /nfs/dbraw/zinc/39/44/72/519394472.db2.gz CFNAIPTXICVMMG-UHFFFAOYSA-N 1 2 411.527 2.939 50 0 HFAALO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2c(C)nc3ccccn32)CC1)c1ccccc1 ZINC000032676100 519682870 /nfs/dbraw/zinc/68/28/70/519682870.db2.gz HZDIXJXJGIHFEC-NRFANRHFSA-N 1 2 419.529 2.554 50 0 HFAALO CC(=O)N[C@@H](CC(=O)N1CCN(Cc2c(C)[nH+]c3ccccn32)CC1)c1ccccc1 ZINC000032676100 519682874 /nfs/dbraw/zinc/68/28/74/519682874.db2.gz HZDIXJXJGIHFEC-NRFANRHFSA-N 1 2 419.529 2.554 50 0 HFAALO CCCCNS(=O)(=O)c1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020583141 520695303 /nfs/dbraw/zinc/69/53/03/520695303.db2.gz CWADXDZAOJQPQB-UHFFFAOYSA-N 1 2 415.559 2.723 50 0 HFAALO CC[N@@H+]1CCc2c(sc(NC(=O)Nc3ccsc3C(=O)OC)c2C(N)=O)C1 ZINC000032579205 521724861 /nfs/dbraw/zinc/72/48/61/521724861.db2.gz KKVWGEZRFANZND-UHFFFAOYSA-N 1 2 408.505 2.717 50 0 HFAALO CC[N@H+]1CCc2c(sc(NC(=O)Nc3ccsc3C(=O)OC)c2C(N)=O)C1 ZINC000032579205 521724862 /nfs/dbraw/zinc/72/48/62/521724862.db2.gz KKVWGEZRFANZND-UHFFFAOYSA-N 1 2 408.505 2.717 50 0 HFAALO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000032806077 523005564 /nfs/dbraw/zinc/00/55/64/523005564.db2.gz QMHPCMCPVJRKIY-UHFFFAOYSA-N 1 2 412.490 2.713 50 0 HFAALO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000032806077 523005583 /nfs/dbraw/zinc/00/55/83/523005583.db2.gz QMHPCMCPVJRKIY-UHFFFAOYSA-N 1 2 412.490 2.713 50 0 HFAALO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000032806184 524063914 /nfs/dbraw/zinc/06/39/14/524063914.db2.gz VFMXWERLHWQZAY-INIZCTEOSA-N 1 2 408.502 2.680 50 0 HFAALO COc1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc3c2cnn3C)cc1Cl ZINC000020560391 524720527 /nfs/dbraw/zinc/72/05/27/524720527.db2.gz NVSSYFAFBYZZCX-UHFFFAOYSA-N 1 2 417.901 2.513 50 0 HFAALO Cc1cccc2[nH+]c(CSc3nnc(N4CCOCC4)n3C[C@H]3CCCO3)cn21 ZINC000032778955 524990240 /nfs/dbraw/zinc/99/02/40/524990240.db2.gz FTNYFJODOYCOKD-QGZVFWFLSA-N 1 2 414.535 2.542 50 0 HFAALO Cc1ccc(-c2noc(CN3CC[NH+](CC[S@](=O)c4ccccc4)CC3)n2)cc1 ZINC000032937866 525879731 /nfs/dbraw/zinc/87/97/31/525879731.db2.gz CUCUDPFOTQCVMZ-GDLZYMKVSA-N 1 2 410.543 2.970 50 0 HFAALO COc1cccc(CO[C@H](C)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000043042727 526058580 /nfs/dbraw/zinc/05/85/80/526058580.db2.gz XJERSFZFWWHITR-GOSISDBHSA-N 1 2 415.509 2.678 50 0 HFAALO Cc1noc(C)c1CSc1ncccc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000032719596 526528983 /nfs/dbraw/zinc/52/89/83/526528983.db2.gz PECLSUKJZKUVKH-QGZVFWFLSA-N 1 2 416.547 2.916 50 0 HFAALO O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023805229 527128884 /nfs/dbraw/zinc/12/88/84/527128884.db2.gz WRIPMXCXXWSDMW-IBGZPJMESA-N 1 2 412.555 2.745 50 0 HFAALO O=C(CN1C(=S)N=NC1c1cccs1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032902838 527357416 /nfs/dbraw/zinc/35/74/16/527357416.db2.gz JSNPLXHDBSOPHI-UHFFFAOYSA-N 1 2 410.528 2.857 50 0 HFAALO O=c1cc(C[NH+]2CCN(Cc3coc(-c4ccccc4)n3)CC2)nc2ccccn12 ZINC000032777294 527477474 /nfs/dbraw/zinc/47/74/74/527477474.db2.gz GOAYDASDLZEXLX-UHFFFAOYSA-N 1 2 401.470 2.667 50 0 HFAALO Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)NCC[NH+]1CCOCC1 ZINC000042200632 527526770 /nfs/dbraw/zinc/52/67/70/527526770.db2.gz QRPGYKQGXLQHIM-UHFFFAOYSA-N 1 2 411.333 2.787 50 0 HFAALO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000032240719 527621146 /nfs/dbraw/zinc/62/11/46/527621146.db2.gz PFHXVBNIDMLNMJ-BQYQJAHWSA-N 1 2 412.921 2.668 50 0 HFAALO CCC(=O)N(Cc1cc2ccc(OC)cc2[nH+]c1N1CCOCC1)C[C@H]1CCCO1 ZINC000012455255 535295405 /nfs/dbraw/zinc/29/54/05/535295405.db2.gz JITCJTWPMCIMGT-HXUWFJFHSA-N 1 2 413.518 2.998 50 0 HFAALO CCc1ccc(Nc2nc(N)nc(CSC(=S)N3CC[NH+](C)CC3)n2)cc1 ZINC000002594816 557359105 /nfs/dbraw/zinc/35/91/05/557359105.db2.gz PYSXBPDTWPWKAV-UHFFFAOYSA-N 1 2 403.581 2.525 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC000004988095 557621715 /nfs/dbraw/zinc/62/17/15/557621715.db2.gz OTNQYEDDFJUWEP-LBPRGKRZSA-N 1 2 419.259 2.781 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC000004988095 557621712 /nfs/dbraw/zinc/62/17/12/557621712.db2.gz OTNQYEDDFJUWEP-LBPRGKRZSA-N 1 2 419.259 2.781 50 0 HFAALO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005044820 557629056 /nfs/dbraw/zinc/62/90/56/557629056.db2.gz MZRZYLMNEVRUDL-PGMHBOJBSA-N 1 2 404.470 2.869 50 0 HFAALO Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)n(C)n1 ZINC000022768215 557818271 /nfs/dbraw/zinc/81/82/71/557818271.db2.gz AOCZKYQCHSLWSH-UHFFFAOYSA-N 1 2 409.515 2.700 50 0 HFAALO Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)n(C)n1 ZINC000022768215 557818274 /nfs/dbraw/zinc/81/82/74/557818274.db2.gz AOCZKYQCHSLWSH-UHFFFAOYSA-N 1 2 409.515 2.700 50 0 HFAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1OC ZINC000022788755 557824345 /nfs/dbraw/zinc/82/43/45/557824345.db2.gz MEWAXJUQYBDAEM-IBGZPJMESA-N 1 2 411.546 2.869 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1OC ZINC000022788755 557824346 /nfs/dbraw/zinc/82/43/46/557824346.db2.gz MEWAXJUQYBDAEM-IBGZPJMESA-N 1 2 411.546 2.869 50 0 HFAALO CCN1CC[NH+](C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918104 558260946 /nfs/dbraw/zinc/26/09/46/558260946.db2.gz DAFKUBZUCXPZNN-ZDUSSCGKSA-N 1 2 422.161 2.589 50 0 HFAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019879578 558300568 /nfs/dbraw/zinc/30/05/68/558300568.db2.gz MCKGCKSVZDJKCJ-HXUWFJFHSA-N 1 2 402.466 2.599 50 0 HFAALO CC[C@H]1C[N@H+](CCNC(=O)CSc2nnc(C)s2)Cc2cc(OC)ccc2O1 ZINC000011997456 558307291 /nfs/dbraw/zinc/30/72/91/558307291.db2.gz ACOUOZIBUDBRNN-HNNXBMFYSA-N 1 2 422.576 2.737 50 0 HFAALO CC[C@H]1C[N@@H+](CCNC(=O)CSc2nnc(C)s2)Cc2cc(OC)ccc2O1 ZINC000011997456 558307292 /nfs/dbraw/zinc/30/72/92/558307292.db2.gz ACOUOZIBUDBRNN-HNNXBMFYSA-N 1 2 422.576 2.737 50 0 HFAALO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)CC1 ZINC000020101847 558331976 /nfs/dbraw/zinc/33/19/76/558331976.db2.gz CTMWSVLNVTXNKE-INIZCTEOSA-N 1 2 410.518 2.857 50 0 HFAALO COc1cccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4Cl)CC3)C2=O)c1 ZINC000020168664 558343326 /nfs/dbraw/zinc/34/33/26/558343326.db2.gz TUVDRYYCBURZEA-FQEVSTJZSA-N 1 2 413.905 2.798 50 0 HFAALO COc1cccc([C@@H]2CCCCN2C(=O)Cn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000012304296 558373586 /nfs/dbraw/zinc/37/35/86/558373586.db2.gz KQTDHSILKAMCJJ-FQEVSTJZSA-N 1 2 412.538 2.667 50 0 HFAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530925 558384171 /nfs/dbraw/zinc/38/41/71/558384171.db2.gz NOPNNHQFMKXYPD-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530925 558384174 /nfs/dbraw/zinc/38/41/74/558384174.db2.gz NOPNNHQFMKXYPD-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530925 558384179 /nfs/dbraw/zinc/38/41/79/558384179.db2.gz NOPNNHQFMKXYPD-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530925 558384181 /nfs/dbraw/zinc/38/41/81/558384181.db2.gz NOPNNHQFMKXYPD-QFIPXVFZSA-N 1 2 421.497 2.925 50 0 HFAALO O=C(CCS[C@@H]1CCc2ccccc2NC1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000020721668 558403204 /nfs/dbraw/zinc/40/32/04/558403204.db2.gz ZLTIZSOAQCAARN-LJQANCHMSA-N 1 2 410.543 2.807 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)C1 ZINC000004336993 558420651 /nfs/dbraw/zinc/42/06/51/558420651.db2.gz PCFFUKIUCCMPTF-LBPRGKRZSA-N 1 2 421.881 2.822 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)C1 ZINC000004336993 558420654 /nfs/dbraw/zinc/42/06/54/558420654.db2.gz PCFFUKIUCCMPTF-LBPRGKRZSA-N 1 2 421.881 2.822 50 0 HFAALO COc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000021548808 558441264 /nfs/dbraw/zinc/44/12/64/558441264.db2.gz DJKVZFBGQSVYGG-DHIUTWEWSA-N 1 2 410.514 2.652 50 0 HFAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000021865794 558452719 /nfs/dbraw/zinc/45/27/19/558452719.db2.gz FGUNKJUAZQONOS-CQSZACIVSA-N 1 2 413.349 2.560 50 0 HFAALO COc1ccc(NC(=O)CSCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022356868 558482758 /nfs/dbraw/zinc/48/27/58/558482758.db2.gz NZOPRZGWRWDXEN-UHFFFAOYSA-N 1 2 413.543 2.711 50 0 HFAALO C[C@H]1CCCC[C@@]12NC(=O)N(CN1CC[NH+](Cc3ccc(Cl)s3)CC1)C2=O ZINC000022786789 558511121 /nfs/dbraw/zinc/51/11/21/558511121.db2.gz DUMZVDARDGFTHF-IFXJQAMLSA-N 1 2 410.971 2.977 50 0 HFAALO COc1ccc(C[NH+]2CCN(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)CC2)cc1 ZINC000022796999 558512454 /nfs/dbraw/zinc/51/24/54/558512454.db2.gz AIOKRCGNDWHDBO-SFHVURJKSA-N 1 2 422.529 2.577 50 0 HFAALO CC[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000022848398 558516624 /nfs/dbraw/zinc/51/66/24/558516624.db2.gz QMTWRXHNXDPBFQ-ZVDOUQERSA-N 1 2 400.567 2.526 50 0 HFAALO Cc1cccnc1C[NH+]1CCN(Cc2c(C(=O)N3CCCC3)nc3ccccn32)CC1 ZINC000022890934 558518877 /nfs/dbraw/zinc/51/88/77/558518877.db2.gz HUEOYRDLEITUPX-UHFFFAOYSA-N 1 2 418.545 2.592 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000022914915 558521054 /nfs/dbraw/zinc/52/10/54/558521054.db2.gz OUXWVQGVHAVRIP-VQTJNVASSA-N 1 2 408.546 2.817 50 0 HFAALO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022926315 558523230 /nfs/dbraw/zinc/52/32/30/558523230.db2.gz DHTRJRNWNKRXIV-LJQANCHMSA-N 1 2 403.530 2.820 50 0 HFAALO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]Cc1cn2nc(C)sc2n1 ZINC000023339792 558550316 /nfs/dbraw/zinc/55/03/16/558550316.db2.gz HXBHJLUVKHDYLS-UHFFFAOYSA-N 1 2 411.535 2.909 50 0 HFAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Br)s1 ZINC000023702478 558568742 /nfs/dbraw/zinc/56/87/42/558568742.db2.gz YFBYHFJTELAONO-UHFFFAOYSA-N 1 2 423.398 2.824 50 0 HFAALO O=S(=O)(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1Br ZINC000023863767 558578160 /nfs/dbraw/zinc/57/81/60/558578160.db2.gz HSTJFILSXZQISW-UHFFFAOYSA-N 1 2 417.369 2.763 50 0 HFAALO COc1ccc(Cn2nnnc2SC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000023866687 558578385 /nfs/dbraw/zinc/57/83/85/558578385.db2.gz XRLVJOXOKVBKNT-FQEVSTJZSA-N 1 2 411.531 2.723 50 0 HFAALO COc1ccc(Cn2nnnc2SC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000023866687 558578387 /nfs/dbraw/zinc/57/83/87/558578387.db2.gz XRLVJOXOKVBKNT-FQEVSTJZSA-N 1 2 411.531 2.723 50 0 HFAALO O=C(c1ccccc1N1CCCC1=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024060204 558587193 /nfs/dbraw/zinc/58/71/93/558587193.db2.gz ZYPHKPPNROUFCX-UHFFFAOYSA-N 1 2 405.498 2.706 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3nn(-c4ccccc4)c(C)cc3=O)CC2)cc1 ZINC000024119279 558589940 /nfs/dbraw/zinc/58/99/40/558589940.db2.gz OILJHWLKWCBOFK-UHFFFAOYSA-N 1 2 418.497 2.508 50 0 HFAALO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000014071455 558617582 /nfs/dbraw/zinc/61/75/82/558617582.db2.gz KDGZKJRAAICNDD-MRXNPFEDSA-N 1 2 422.533 2.777 50 0 HFAALO CC(=O)NCc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)cc1 ZINC000024874118 558618388 /nfs/dbraw/zinc/61/83/88/558618388.db2.gz PYMITZOZCHEFMD-UHFFFAOYSA-N 1 2 415.921 2.813 50 0 HFAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000025289883 558637118 /nfs/dbraw/zinc/63/71/18/558637118.db2.gz KXXPGWRLHFVGPV-CQSZACIVSA-N 1 2 420.307 2.764 50 0 HFAALO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025784369 558650081 /nfs/dbraw/zinc/65/00/81/558650081.db2.gz JCAOHKYXKURIED-HSZRJFAPSA-N 1 2 405.454 2.929 50 0 HFAALO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025784369 558650085 /nfs/dbraw/zinc/65/00/85/558650085.db2.gz JCAOHKYXKURIED-HSZRJFAPSA-N 1 2 405.454 2.929 50 0 HFAALO C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025784367 558650159 /nfs/dbraw/zinc/65/01/59/558650159.db2.gz JCAOHKYXKURIED-QHCPKHFHSA-N 1 2 405.454 2.929 50 0 HFAALO C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000025784367 558650162 /nfs/dbraw/zinc/65/01/62/558650162.db2.gz JCAOHKYXKURIED-QHCPKHFHSA-N 1 2 405.454 2.929 50 0 HFAALO O=C(NCCOc1ccc2ccccc2c1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000026385528 558659966 /nfs/dbraw/zinc/65/99/66/558659966.db2.gz JOHZDWGRKWGERC-UHFFFAOYSA-N 1 2 406.486 2.950 50 0 HFAALO C[NH+]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)CC1 ZINC000014999359 558697059 /nfs/dbraw/zinc/69/70/59/558697059.db2.gz QLMAXQZVUYPPGK-UHFFFAOYSA-N 1 2 414.513 2.693 50 0 HFAALO C[N@H+](Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)Cc1cccc2cnccc21 ZINC000015070792 558712594 /nfs/dbraw/zinc/71/25/94/558712594.db2.gz QEEIEVFSVKOMGW-LJQANCHMSA-N 1 2 414.531 2.646 50 0 HFAALO C[N@@H+](Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)Cc1cccc2cnccc21 ZINC000015070792 558712595 /nfs/dbraw/zinc/71/25/95/558712595.db2.gz QEEIEVFSVKOMGW-LJQANCHMSA-N 1 2 414.531 2.646 50 0 HFAALO COc1cccc([C@H](C)N(C)C(=O)CCCn2nnnc2C[NH+]2CCC(C)CC2)c1 ZINC000015073252 558714301 /nfs/dbraw/zinc/71/43/01/558714301.db2.gz NGCWJOGPMHRMJG-SFHVURJKSA-N 1 2 414.554 2.913 50 0 HFAALO COc1ccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2[nH+]ccn2C)cc1 ZINC000029814044 558721775 /nfs/dbraw/zinc/72/17/75/558721775.db2.gz KQSMUNSLZSWMJV-JOCHJYFZSA-N 1 2 420.469 2.598 50 0 HFAALO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000072308874 558771494 /nfs/dbraw/zinc/77/14/94/558771494.db2.gz HWBLKRDGCFNDER-GFCCVEGCSA-N 1 2 411.428 2.698 50 0 HFAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC000072309393 558773233 /nfs/dbraw/zinc/77/32/33/558773233.db2.gz MVAWUCBYMUHRMJ-KRWDZBQOSA-N 1 2 418.519 2.824 50 0 HFAALO COc1cc2nc(C[N@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)[nH]c(=O)c2cc1OC ZINC000016694733 558800598 /nfs/dbraw/zinc/80/05/98/558800598.db2.gz VYQBDOJKXFFNBQ-CQSZACIVSA-N 1 2 420.473 2.714 50 0 HFAALO COc1cc2nc(C[N@@H+](C)[C@H](C)c3ccc(-n4cncn4)cc3)[nH]c(=O)c2cc1OC ZINC000016694733 558800600 /nfs/dbraw/zinc/80/06/00/558800600.db2.gz VYQBDOJKXFFNBQ-CQSZACIVSA-N 1 2 420.473 2.714 50 0 HFAALO O=C1C[C@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000018137140 558832031 /nfs/dbraw/zinc/83/20/31/558832031.db2.gz QWXFXTUWBKZIKH-SFHVURJKSA-N 1 2 414.303 2.903 50 0 HFAALO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)n[nH]1 ZINC000019113297 558841960 /nfs/dbraw/zinc/84/19/60/558841960.db2.gz RLDRILOGAXLYKZ-UHFFFAOYSA-N 1 2 408.462 2.733 50 0 HFAALO CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000054360500 558867665 /nfs/dbraw/zinc/86/76/65/558867665.db2.gz YZBXIWVRPZDKCR-MRXNPFEDSA-N 1 2 419.503 2.699 50 0 HFAALO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(S(=O)(=O)c3ccsc3)C2)CC1 ZINC000055212023 558876278 /nfs/dbraw/zinc/87/62/78/558876278.db2.gz UYRLLCHXQKUJMY-QGZVFWFLSA-N 1 2 421.588 2.732 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000010656589 558894587 /nfs/dbraw/zinc/89/45/87/558894587.db2.gz ASMBMVWTPHROFZ-GOSISDBHSA-N 1 2 400.841 2.848 50 0 HFAALO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058131627 558900472 /nfs/dbraw/zinc/90/04/72/558900472.db2.gz VBELTLYVYJPVNA-AWEZNQCLSA-N 1 2 417.307 2.862 50 0 HFAALO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000058151772 558902496 /nfs/dbraw/zinc/90/24/96/558902496.db2.gz ZRMTXESZVCCSCS-FUHWJXTLSA-N 1 2 402.520 2.564 50 0 HFAALO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000058300348 558917591 /nfs/dbraw/zinc/91/75/91/558917591.db2.gz WIBWSQKODSOBKL-QFIPXVFZSA-N 1 2 411.502 2.986 50 0 HFAALO CCn1c2ccccc2nc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000033259776 558928526 /nfs/dbraw/zinc/92/85/26/558928526.db2.gz VOXGHEVSTQHWLO-UHFFFAOYSA-N 1 2 422.554 2.853 50 0 HFAALO COc1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c1 ZINC000022056607 558986028 /nfs/dbraw/zinc/98/60/28/558986028.db2.gz WVSOCLVQOAPEIS-KRWDZBQOSA-N 1 2 413.518 2.857 50 0 HFAALO COc1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c1 ZINC000022056603 558986052 /nfs/dbraw/zinc/98/60/52/558986052.db2.gz WVSOCLVQOAPEIS-QGZVFWFLSA-N 1 2 413.518 2.857 50 0 HFAALO CCCCOc1ccc(C(=O)N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000067604914 558988731 /nfs/dbraw/zinc/98/87/31/558988731.db2.gz XOBRTSYVADWPQM-UHFFFAOYSA-N 1 2 406.490 2.804 50 0 HFAALO O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067675685 558991423 /nfs/dbraw/zinc/99/14/23/558991423.db2.gz KARREVKNXAXUGJ-KRWDZBQOSA-N 1 2 402.502 2.888 50 0 HFAALO CN(Cc1c[nH+]c2ccccn12)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000067726711 558991807 /nfs/dbraw/zinc/99/18/07/558991807.db2.gz SIWNVMFGHXOREW-GOSISDBHSA-N 1 2 408.477 2.913 50 0 HFAALO CC(C)Nc1cc(N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)nc[nH+]1 ZINC000067743338 558992254 /nfs/dbraw/zinc/99/22/54/558992254.db2.gz BZOPSSURGOOANA-HSZRJFAPSA-N 1 2 422.533 2.724 50 0 HFAALO CC(C)Nc1cc(N2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)[nH+]cn1 ZINC000067743338 558992255 /nfs/dbraw/zinc/99/22/55/558992255.db2.gz BZOPSSURGOOANA-HSZRJFAPSA-N 1 2 422.533 2.724 50 0 HFAALO C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117785 558996113 /nfs/dbraw/zinc/99/61/13/558996113.db2.gz QVXHHYLNGFPVBL-GCJKJVERSA-N 1 2 417.575 2.663 50 0 HFAALO C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117785 558996114 /nfs/dbraw/zinc/99/61/14/558996114.db2.gz QVXHHYLNGFPVBL-GCJKJVERSA-N 1 2 417.575 2.663 50 0 HFAALO CCN1c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097151865 558997584 /nfs/dbraw/zinc/99/75/84/558997584.db2.gz GEZKUUNRUPGXKY-QFIPXVFZSA-N 1 2 419.529 2.836 50 0 HFAALO O=C(CSCC1CC1)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000095363918 559080130 /nfs/dbraw/zinc/08/01/30/559080130.db2.gz VWNDIDDQIMVIRR-UHFFFAOYSA-N 1 2 404.580 2.648 50 0 HFAALO CNc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]c2ccccc21 ZINC000096835624 559112377 /nfs/dbraw/zinc/11/23/77/559112377.db2.gz FGYFVXVXPFAFLD-UHFFFAOYSA-N 1 2 417.922 2.836 50 0 HFAALO COc1cccc([C@H](NC(=O)C[C@@H](NC(C)=O)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000024017619 559187465 /nfs/dbraw/zinc/18/74/65/559187465.db2.gz LEKHPZIBOJDUHD-IRLDBZIGSA-N 1 2 406.486 2.902 50 0 HFAALO O=C(Nc1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1)c1ccccn1 ZINC000408521110 559215164 /nfs/dbraw/zinc/21/51/64/559215164.db2.gz IWWGPZCZVGWJDX-UHFFFAOYSA-N 1 2 411.487 2.625 50 0 HFAALO CC[NH+]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)CC1 ZINC000005653058 560637205 /nfs/dbraw/zinc/63/72/05/560637205.db2.gz DVESIGLWJXIVTB-UHFFFAOYSA-N 1 2 417.531 2.582 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000409413865 560723240 /nfs/dbraw/zinc/72/32/40/560723240.db2.gz FPNLXMIVSFGFBY-UYAOXDASSA-N 1 2 417.469 2.531 50 0 HFAALO CCOc1ccccc1-c1noc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000014775475 560782134 /nfs/dbraw/zinc/78/21/34/560782134.db2.gz IWAJPSXXZOIEKU-AWEZNQCLSA-N 1 2 416.503 2.976 50 0 HFAALO CCOc1ccccc1-c1noc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000014775475 560782135 /nfs/dbraw/zinc/78/21/35/560782135.db2.gz IWAJPSXXZOIEKU-AWEZNQCLSA-N 1 2 416.503 2.976 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccc1F ZINC000018237193 560785357 /nfs/dbraw/zinc/78/53/57/560785357.db2.gz ZUOVXTZBYTZQBO-GOSISDBHSA-N 1 2 401.463 2.623 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccc(Cl)s4)CC3)C2=O)cc1 ZINC000101490516 560795959 /nfs/dbraw/zinc/79/59/59/560795959.db2.gz CKPUCMFNIDFCEF-QGZVFWFLSA-N 1 2 419.934 2.860 50 0 HFAALO O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106172290 560885021 /nfs/dbraw/zinc/88/50/21/560885021.db2.gz ZRMTXESZVCCSCS-WMZOPIPTSA-N 1 2 402.520 2.564 50 0 HFAALO C[C@H](SCc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000107153857 560895679 /nfs/dbraw/zinc/89/56/79/560895679.db2.gz JJVZIYZQPPOQCZ-FUHWJXTLSA-N 1 2 407.580 2.976 50 0 HFAALO C[C@H](SCc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000107153857 560895681 /nfs/dbraw/zinc/89/56/81/560895681.db2.gz JJVZIYZQPPOQCZ-FUHWJXTLSA-N 1 2 407.580 2.976 50 0 HFAALO Cc1cc(C)c(NC(=O)CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c(C)c1 ZINC000048331409 568439921 /nfs/dbraw/zinc/43/99/21/568439921.db2.gz XMINFUORVGASBD-OAQYLSRUSA-N 1 2 424.545 2.923 50 0 HFAALO C[C@@H]1CCCN(c2cc(-n3cnc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nc[nH+]2)C1 ZINC000049411266 568450032 /nfs/dbraw/zinc/45/00/32/568450032.db2.gz BXYNZKJZHFBEHH-OAHLLOKOSA-N 1 2 420.473 2.922 50 0 HFAALO Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)NCC[NH+]1CCOCC1 ZINC000020241155 568595927 /nfs/dbraw/zinc/59/59/27/568595927.db2.gz YUVRNHAJRYACPJ-UHFFFAOYSA-N 1 2 409.939 2.985 50 0 HFAALO COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)cc1OC ZINC000020287568 568597183 /nfs/dbraw/zinc/59/71/83/568597183.db2.gz NKIBGHXIPWMGGL-QVKFZJNVSA-N 1 2 404.532 2.886 50 0 HFAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccnc2)N1CCC[NH+]1CCOCC1 ZINC000020308766 568598165 /nfs/dbraw/zinc/59/81/65/568598165.db2.gz PBMWWPLUZCSITR-HXUWFJFHSA-N 1 2 423.444 2.595 50 0 HFAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccncc2)N1CCC[NH+]1CCOCC1 ZINC000020310602 568598647 /nfs/dbraw/zinc/59/86/47/568598647.db2.gz LOLASKNPHHVRSQ-HXUWFJFHSA-N 1 2 423.444 2.595 50 0 HFAALO COc1ccc(CN(C)C(=O)C(C)(C)[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095398675 568604591 /nfs/dbraw/zinc/60/45/91/568604591.db2.gz UWGMZWGKBJALIR-UHFFFAOYSA-N 1 2 405.539 2.985 50 0 HFAALO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000095433261 568609501 /nfs/dbraw/zinc/60/95/01/568609501.db2.gz ZVWCMNSPFVIXRN-VXGBXAGGSA-N 1 2 414.877 2.825 50 0 HFAALO CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C[C@@H](C)O ZINC000095433261 568609503 /nfs/dbraw/zinc/60/95/03/568609503.db2.gz ZVWCMNSPFVIXRN-VXGBXAGGSA-N 1 2 414.877 2.825 50 0 HFAALO CCc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611873 568637387 /nfs/dbraw/zinc/63/73/87/568637387.db2.gz NCTBNFAOHGPUNA-OAQYLSRUSA-N 1 2 416.481 2.852 50 0 biogenic HFAALO CCc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611873 568637390 /nfs/dbraw/zinc/63/73/90/568637390.db2.gz NCTBNFAOHGPUNA-OAQYLSRUSA-N 1 2 416.481 2.852 50 0 biogenic HFAALO Cc1cccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c1C ZINC000020611822 568637491 /nfs/dbraw/zinc/63/74/91/568637491.db2.gz VQQTVKHWFWOGHY-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1cccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c1C ZINC000020611822 568637492 /nfs/dbraw/zinc/63/74/92/568637492.db2.gz VQQTVKHWFWOGHY-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO CCOC(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020902395 568650353 /nfs/dbraw/zinc/65/03/53/568650353.db2.gz NFTKNFWRUQSFFZ-UHFFFAOYSA-N 1 2 411.458 2.942 50 0 HFAALO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000095974406 568672396 /nfs/dbraw/zinc/67/23/96/568672396.db2.gz CTGUOKUKVLWJBB-HNNXBMFYSA-N 1 2 407.561 2.514 50 0 HFAALO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000095974406 568672399 /nfs/dbraw/zinc/67/23/99/568672399.db2.gz CTGUOKUKVLWJBB-HNNXBMFYSA-N 1 2 407.561 2.514 50 0 HFAALO CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000229803269 568715198 /nfs/dbraw/zinc/71/51/98/568715198.db2.gz KWIBAVICXNVZAL-TXPKVOOTSA-N 1 2 420.554 2.862 50 0 HFAALO Cc1cccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC000096317499 568726866 /nfs/dbraw/zinc/72/68/66/568726866.db2.gz OHKVACLZKXZPIB-UHFFFAOYSA-N 1 2 416.591 2.964 50 0 HFAALO COCC[C@@H](NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1)C(=O)OC ZINC000240871469 568730592 /nfs/dbraw/zinc/73/05/92/568730592.db2.gz IKTZCOFDPHQTLK-GOSISDBHSA-N 1 2 413.499 2.935 50 0 HFAALO C[C@@H]1CC(=O)N[NH+]=C1c1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)cc1 ZINC000096562135 568760268 /nfs/dbraw/zinc/76/02/68/568760268.db2.gz WDJSNSFHDDBPHB-MRXNPFEDSA-N 1 2 408.477 2.577 50 0 HFAALO Cc1ccc(CC(=O)N2CCN(c3ccc(C4=[NH+]NC(=O)C[C@H]4C)cc3)CC2)cc1 ZINC000096580049 568762236 /nfs/dbraw/zinc/76/22/36/568762236.db2.gz VEDVHINGRGWQML-GOSISDBHSA-N 1 2 404.514 2.746 50 0 HFAALO O=S(=O)(NC[C@@H](c1cccnc1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000056896336 568821033 /nfs/dbraw/zinc/82/10/33/568821033.db2.gz MZGZIIVGDPQAEY-QHCPKHFHSA-N 1 2 422.554 2.923 50 0 HFAALO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005935952 568830492 /nfs/dbraw/zinc/83/04/92/568830492.db2.gz GZYFRHYHTOQEIE-UHFFFAOYSA-N 1 2 412.515 2.918 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414715 568833619 /nfs/dbraw/zinc/83/36/19/568833619.db2.gz SNPYKOKNOOHUOX-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414715 568833621 /nfs/dbraw/zinc/83/36/21/568833621.db2.gz SNPYKOKNOOHUOX-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414715 568833623 /nfs/dbraw/zinc/83/36/23/568833623.db2.gz SNPYKOKNOOHUOX-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414715 568833625 /nfs/dbraw/zinc/83/36/25/568833625.db2.gz SNPYKOKNOOHUOX-JOCHJYFZSA-N 1 2 421.497 2.925 50 0 HFAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414703 568833730 /nfs/dbraw/zinc/83/37/30/568833730.db2.gz WYHXHIOVJLFJJK-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414703 568833731 /nfs/dbraw/zinc/83/37/31/568833731.db2.gz WYHXHIOVJLFJJK-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000012540808 568848552 /nfs/dbraw/zinc/84/85/52/568848552.db2.gz OOWBQLHGCFGOFH-GOSISDBHSA-N 1 2 408.845 2.575 50 0 HFAALO C[C@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000012593997 568868679 /nfs/dbraw/zinc/86/86/79/568868679.db2.gz DOOIIMUBMHWATF-AUSIDOKSSA-N 1 2 421.541 2.745 50 0 HFAALO CC[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000084774737 568959265 /nfs/dbraw/zinc/95/92/65/568959265.db2.gz OBRARCZPVARQSY-UHFFFAOYSA-N 1 2 412.552 2.800 50 0 HFAALO CC[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000084774737 568959267 /nfs/dbraw/zinc/95/92/67/568959267.db2.gz OBRARCZPVARQSY-UHFFFAOYSA-N 1 2 412.552 2.800 50 0 HFAALO CCN1C(=O)C[C@H](Sc2ccccc2C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1=O ZINC000670471892 569003765 /nfs/dbraw/zinc/00/37/65/569003765.db2.gz YUXOILDFEWKTKF-SFHVURJKSA-N 1 2 422.510 2.812 50 0 HFAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(O)c(OC)c2)C[C@H]1CCO ZINC000104555345 569009106 /nfs/dbraw/zinc/00/91/06/569009106.db2.gz XPVIKRPLURZNEB-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(O)c(OC)c2)C[C@H]1CCO ZINC000104555345 569009107 /nfs/dbraw/zinc/00/91/07/569009107.db2.gz XPVIKRPLURZNEB-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO CC(C)c1[nH+]c2cc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)ccc2n1C ZINC000085877439 569009495 /nfs/dbraw/zinc/00/94/95/569009495.db2.gz SXPOBZWNTZPLQI-QGZVFWFLSA-N 1 2 405.458 2.776 50 0 biogenic HFAALO Cc1cc(N2CCN(C(=O)CCCn3c4ccccc4oc3=O)CC2)nc(C(C)C)[nH+]1 ZINC000013002373 569049205 /nfs/dbraw/zinc/04/92/05/569049205.db2.gz QXDHDUQWAMHEHY-UHFFFAOYSA-N 1 2 423.517 2.945 50 0 HFAALO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(Br)ccc1O ZINC000013006239 569049668 /nfs/dbraw/zinc/04/96/68/569049668.db2.gz IWYZMPCHAALELG-UHFFFAOYSA-N 1 2 405.292 2.917 50 0 HFAALO COc1ccc(C[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cn1 ZINC000089356244 569058654 /nfs/dbraw/zinc/05/86/54/569058654.db2.gz BDKGUVYLQGZSAD-UHFFFAOYSA-N 1 2 422.485 2.708 50 0 HFAALO COc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)cn1 ZINC000089356244 569058655 /nfs/dbraw/zinc/05/86/55/569058655.db2.gz BDKGUVYLQGZSAD-UHFFFAOYSA-N 1 2 422.485 2.708 50 0 HFAALO COc1ccccc1C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000089473684 569061045 /nfs/dbraw/zinc/06/10/45/569061045.db2.gz BLRLSILFOMWFGG-UHFFFAOYSA-N 1 2 415.921 2.813 50 0 HFAALO Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000064946987 569129168 /nfs/dbraw/zinc/12/91/68/569129168.db2.gz QUFFUSRKDUIWRR-UHFFFAOYSA-N 1 2 415.494 2.534 50 0 HFAALO CCCc1cc(=O)oc2cc(OCC(=O)N3CC[NH+](Cc4ccncc4)CC3)ccc12 ZINC000036352612 569147406 /nfs/dbraw/zinc/14/74/06/569147406.db2.gz SFAAKWMBJTUVNO-UHFFFAOYSA-N 1 2 421.497 2.864 50 0 HFAALO CC[N@H+](CCCNC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)c1ccccc1 ZINC000169768949 569167280 /nfs/dbraw/zinc/16/72/80/569167280.db2.gz ZYPDJHKCTJPVDX-UHFFFAOYSA-N 1 2 416.485 2.731 50 0 HFAALO CC[N@@H+](CCCNC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)c1ccccc1 ZINC000169768949 569167281 /nfs/dbraw/zinc/16/72/81/569167281.db2.gz ZYPDJHKCTJPVDX-UHFFFAOYSA-N 1 2 416.485 2.731 50 0 HFAALO S=c1n(C[N@H+](C2CC2)C2CCCC2)nc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000036392763 569167903 /nfs/dbraw/zinc/16/79/03/569167903.db2.gz FXIAQGAHWWJPGH-GOSISDBHSA-N 1 2 407.584 2.794 50 0 HFAALO S=c1n(C[N@@H+](C2CC2)C2CCCC2)nc(N2CCOCC2)n1C[C@H]1CCCO1 ZINC000036392763 569167904 /nfs/dbraw/zinc/16/79/04/569167904.db2.gz FXIAQGAHWWJPGH-GOSISDBHSA-N 1 2 407.584 2.794 50 0 HFAALO Cn1ccnc1[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000036397738 569171055 /nfs/dbraw/zinc/17/10/55/569171055.db2.gz MVLWYYCCLWXLEP-JOCHJYFZSA-N 1 2 419.529 2.841 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCN(c2ccccc2)CC1)N1CCCCCC1 ZINC000065295377 569218738 /nfs/dbraw/zinc/21/87/38/569218738.db2.gz YPAZWLWNKQZPNA-UHFFFAOYSA-N 1 2 419.533 2.556 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000036700342 569222918 /nfs/dbraw/zinc/22/29/18/569222918.db2.gz CCVDFNZKTCAWMW-OAQYLSRUSA-N 1 2 422.522 2.966 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000036700342 569222919 /nfs/dbraw/zinc/22/29/19/569222919.db2.gz CCVDFNZKTCAWMW-OAQYLSRUSA-N 1 2 422.522 2.966 50 0 HFAALO O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000017014720 569271779 /nfs/dbraw/zinc/27/17/79/569271779.db2.gz VJPVJRLHEBEUEV-SFHVURJKSA-N 1 2 408.845 2.601 50 0 biogenic HFAALO C[C@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000017029292 569272150 /nfs/dbraw/zinc/27/21/50/569272150.db2.gz NUSXXRAVVHGQJG-XCLFUZPHSA-N 1 2 402.454 2.568 50 0 biogenic HFAALO C[C@H](c1ccccc1)n1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000017029292 569272151 /nfs/dbraw/zinc/27/21/51/569272151.db2.gz NUSXXRAVVHGQJG-XCLFUZPHSA-N 1 2 402.454 2.568 50 0 biogenic HFAALO O=S(=O)(Cc1cc(F)ccc1F)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253397624 569365421 /nfs/dbraw/zinc/36/54/21/569365421.db2.gz FVHRNMKJYZISEP-KRWDZBQOSA-N 1 2 402.488 2.767 50 0 HFAALO O=C(CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCCn1cc[nH+]c1 ZINC000252492452 569387690 /nfs/dbraw/zinc/38/76/90/569387690.db2.gz MMTDVUBJRBRXPH-SFHVURJKSA-N 1 2 405.458 2.652 50 0 HFAALO CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000079023569 569424539 /nfs/dbraw/zinc/42/45/39/569424539.db2.gz YBJDJIPTQYUMBT-CABCVRRESA-N 1 2 404.492 2.532 50 0 HFAALO COCCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000079109459 569428004 /nfs/dbraw/zinc/42/80/04/569428004.db2.gz JSDVKNAADMYEKW-INIZCTEOSA-N 1 2 418.925 2.909 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285855 571064655 /nfs/dbraw/zinc/06/46/55/571064655.db2.gz GZJKLJDWZFBNRX-FQEVSTJZSA-N 1 2 417.506 2.607 50 0 HFAALO CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccccc2Cl)n(C)c1=O ZINC000008706126 571103641 /nfs/dbraw/zinc/10/36/41/571103641.db2.gz NVOZCPBESZNBJV-LBPRGKRZSA-N 1 2 400.870 2.527 50 0 HFAALO O=c1c2ccccc2nnn1CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000008725770 571108157 /nfs/dbraw/zinc/10/81/57/571108157.db2.gz MINMHKLEGCBAKS-UHFFFAOYSA-N 1 2 419.514 2.718 50 0 HFAALO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000040049919 571143714 /nfs/dbraw/zinc/14/37/14/571143714.db2.gz QDCZISSKEOUJIG-UHFFFAOYSA-N 1 2 422.938 2.516 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)Nc1nnc(C2CC2)o1 ZINC000040073233 571153466 /nfs/dbraw/zinc/15/34/66/571153466.db2.gz WFXZHWSYTUUDAS-UHFFFAOYSA-N 1 2 411.422 2.946 50 0 HFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000040088266 571158575 /nfs/dbraw/zinc/15/85/75/571158575.db2.gz ZFENRLGTFJGBMA-CQSZACIVSA-N 1 2 402.451 2.642 50 0 HFAALO COc1cccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c1 ZINC000040091305 571161274 /nfs/dbraw/zinc/16/12/74/571161274.db2.gz MPLNQWQUYSDHQU-MRXNPFEDSA-N 1 2 413.522 2.694 50 0 HFAALO COC(=O)CCCNC(=O)C[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000040105848 571166399 /nfs/dbraw/zinc/16/63/99/571166399.db2.gz UQRJUQYRFLHUEP-UHFFFAOYSA-N 1 2 402.535 2.849 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 ZINC000244986176 571211854 /nfs/dbraw/zinc/21/18/54/571211854.db2.gz JJAXDKILZYCNOY-MRXNPFEDSA-N 1 2 402.882 2.828 50 0 HFAALO CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](c2ccoc2)[NH+]2CCSCC2)cc1 ZINC000245020860 571212145 /nfs/dbraw/zinc/21/21/45/571212145.db2.gz MKQNODNVTFCLSE-LJQANCHMSA-N 1 2 422.572 2.522 50 0 HFAALO O=C(CCN1C(=O)S/C(=C/c2ccccc2F)C1=O)NCCCn1cc[nH+]c1 ZINC000009187668 571235145 /nfs/dbraw/zinc/23/51/45/571235145.db2.gz CBGOCHLJYWXVSX-FOWTUZBSSA-N 1 2 402.451 2.655 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000009219522 571238165 /nfs/dbraw/zinc/23/81/65/571238165.db2.gz SHKFTXFUAZPWDT-HXUWFJFHSA-N 1 2 424.526 2.724 50 0 HFAALO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000009526044 571265791 /nfs/dbraw/zinc/26/57/91/571265791.db2.gz KCDGZPZPRICMJB-UHFFFAOYSA-N 1 2 412.515 2.837 50 0 HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(Cl)cc4)CC3)NC2=O)cc1 ZINC000009526754 571265883 /nfs/dbraw/zinc/26/58/83/571265883.db2.gz SAAGEOCOMBQQLL-UHFFFAOYSA-N 1 2 410.905 2.998 50 0 biogenic HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2)Nc1ccc(F)cc1 ZINC000009526851 571266008 /nfs/dbraw/zinc/26/60/08/571266008.db2.gz DANPASLYRNAGHI-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070974800 571284094 /nfs/dbraw/zinc/28/40/94/571284094.db2.gz LWWARMIDYFDANX-UHFFFAOYSA-N 1 2 402.380 2.644 50 0 HFAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)cc1C ZINC000010386205 571301735 /nfs/dbraw/zinc/30/17/35/571301735.db2.gz IHEMZICOBRGMJR-UHFFFAOYSA-N 1 2 422.514 2.734 50 0 HFAALO CC1CC[NH+](CN2c3ccccc3[C@](O)(CC(=O)c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000021573279 571315015 /nfs/dbraw/zinc/31/50/15/571315015.db2.gz JYWCPBXURUHIHW-XMMPIXPASA-N 1 2 422.481 2.912 50 0 HFAALO CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=[NH+]2)cc1 ZINC000004914755 132293983 /nfs/dbraw/zinc/29/39/83/132293983.db2.gz OTGMDICZHFNEHV-NRFANRHFSA-N 1 2 419.529 2.815 50 0 HFAALO O=C(COCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(Cl)c1Cl ZINC000009833649 132343644 /nfs/dbraw/zinc/34/36/44/132343644.db2.gz VIVNQCPLHFPSCT-UHFFFAOYSA-N 1 2 423.300 2.692 50 0 HFAALO Cc1ccc2c(C)c(CCC(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c(=O)oc2c1 ZINC000011153489 132347789 /nfs/dbraw/zinc/34/77/89/132347789.db2.gz NXRBWQXSWRSMDH-UHFFFAOYSA-N 1 2 421.497 2.890 50 0 HFAALO O=C(NCCn1cc[nH+]c1)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000012301750 132358172 /nfs/dbraw/zinc/35/81/72/132358172.db2.gz JRNAPHFJFOKYPK-IBGZPJMESA-N 1 2 416.529 2.862 50 0 HFAALO Cc1ncccc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000012441694 132360229 /nfs/dbraw/zinc/36/02/29/132360229.db2.gz NJGFNODPPLIJRT-HXUWFJFHSA-N 1 2 421.545 2.766 50 0 HFAALO CC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)cc2C[C@@H]1C ZINC000032935886 519639629 /nfs/dbraw/zinc/63/96/29/519639629.db2.gz TVSBFAQNDBFEQQ-INIZCTEOSA-N 1 2 424.526 2.707 50 0 HFAALO CCc1nn2c(nnc3c(=O)n(CCc4c[nH+]c[nH]4)ccc32)c1-c1ccc(F)cc1 ZINC000040391754 522714450 /nfs/dbraw/zinc/71/44/50/522714450.db2.gz XSGYNUPRQFTQCG-UHFFFAOYSA-N 1 2 403.421 2.774 50 0 HFAALO CCc1nn2c(nnc3c(=O)n(CCc4c[nH]c[nH+]4)ccc32)c1-c1ccc(F)cc1 ZINC000040391754 522714455 /nfs/dbraw/zinc/71/44/55/522714455.db2.gz XSGYNUPRQFTQCG-UHFFFAOYSA-N 1 2 403.421 2.774 50 0 HFAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000032832724 524401137 /nfs/dbraw/zinc/40/11/37/524401137.db2.gz YCECXLLVHSGNHI-UHFFFAOYSA-N 1 2 402.516 2.663 50 0 HFAALO COc1ccc(OC)c(-n2c(O)c([C@@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=S)c1 ZINC000020149998 524796401 /nfs/dbraw/zinc/79/64/01/524796401.db2.gz QUDLWXXLAFHFHT-GOSISDBHSA-N 1 2 411.483 2.853 50 0 HFAALO COc1ccc([C@H](NC(=O)NCc2ccc3c(c2)OCCO3)c2[nH+]ccn2C)cc1 ZINC000032802573 525367407 /nfs/dbraw/zinc/36/74/07/525367407.db2.gz SMSSISWIANEHHV-FQEVSTJZSA-N 1 2 408.458 2.789 50 0 HFAALO C[C@H](SC(=S)N1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1O ZINC000020546567 525972143 /nfs/dbraw/zinc/97/21/43/525972143.db2.gz REPCWILSSBYKHO-JTQLQIEISA-N 1 2 403.367 2.991 50 0 HFAALO O=C(CCNC(=O)c1ccncc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048354118 526508890 /nfs/dbraw/zinc/50/88/90/526508890.db2.gz OLNWOJVVXNIBTE-UHFFFAOYSA-N 1 2 420.435 2.565 50 0 HFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000032778091 526771153 /nfs/dbraw/zinc/77/11/53/526771153.db2.gz LDFBIDHAHPYHHE-UHFFFAOYSA-N 1 2 422.448 2.896 50 0 HFAALO Cc1sc2ncn(CC(=O)NCc3cn4cc(Cl)ccc4[nH+]3)c(=O)c2c1C ZINC000032902290 526897883 /nfs/dbraw/zinc/89/78/83/526897883.db2.gz JJJVNFYUJVMSDR-UHFFFAOYSA-N 1 2 401.879 2.692 50 0 HFAALO FC(F)(F)c1cccc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 ZINC000032759695 527684853 /nfs/dbraw/zinc/68/48/53/527684853.db2.gz FAQKARYTVMYXTK-UHFFFAOYSA-N 1 2 402.424 2.999 50 0 HFAALO CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)NCCOC)cc2)[nH+]1 ZINC000006773792 536145806 /nfs/dbraw/zinc/14/58/06/536145806.db2.gz YXNXIYOOOTZSGQ-UHFFFAOYSA-N 1 2 416.547 2.544 50 0 HFAALO Cc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3c(cccc3F)s2)n(C)n1 ZINC000022768222 557818371 /nfs/dbraw/zinc/81/83/71/557818371.db2.gz DZYYKFRWMMBQGD-UHFFFAOYSA-N 1 2 417.510 2.846 50 0 HFAALO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000020407872 558360595 /nfs/dbraw/zinc/36/05/95/558360595.db2.gz PJNBVRCOAAYWDS-UHFFFAOYSA-N 1 2 421.497 2.866 50 0 HFAALO Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)no1 ZINC000020451991 558366341 /nfs/dbraw/zinc/36/63/41/558366341.db2.gz CBOKHAKCEZONEN-UHFFFAOYSA-N 1 2 409.490 2.562 50 0 HFAALO CCCCc1cc(=O)oc2cc(OCC(=O)NCC[NH+]3CCOCC3)c(Cl)cc12 ZINC000020533622 558384988 /nfs/dbraw/zinc/38/49/88/558384988.db2.gz MABMIAILNVOSOO-UHFFFAOYSA-N 1 2 422.909 2.616 50 0 HFAALO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020622812 558394399 /nfs/dbraw/zinc/39/43/99/558394399.db2.gz AEULKFWDYKUNLW-UHFFFAOYSA-N 1 2 421.497 2.522 50 0 HFAALO C[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)CC1 ZINC000020646552 558397108 /nfs/dbraw/zinc/39/71/08/558397108.db2.gz HXFHEIXOJYPCTE-UHFFFAOYSA-N 1 2 412.559 2.861 50 0 HFAALO c1ccc(OCc2noc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000020920912 558423455 /nfs/dbraw/zinc/42/34/55/558423455.db2.gz VJIPPGQIQZWRIP-UHFFFAOYSA-N 1 2 408.458 2.695 50 0 HFAALO COc1ccc([C@@H](CNc2nn3cnnc3c3ccccc32)[NH+]2CCOCC2)cc1 ZINC000021798661 558449885 /nfs/dbraw/zinc/44/98/85/558449885.db2.gz HFJWXMNAWCFSOD-HXUWFJFHSA-N 1 2 404.474 2.772 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N[C@H]1CCCc2ccccc21 ZINC000021847623 558452283 /nfs/dbraw/zinc/45/22/83/558452283.db2.gz HUAJIMSPTDDMLU-NRFANRHFSA-N 1 2 407.514 2.727 50 0 HFAALO CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000012875009 558482526 /nfs/dbraw/zinc/48/25/26/558482526.db2.gz OPFYYBPDXYDJHK-UHFFFAOYSA-N 1 2 415.559 3.000 50 0 HFAALO COc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000022785522 558510779 /nfs/dbraw/zinc/51/07/79/558510779.db2.gz MQZWISCONPPZCQ-KRWDZBQOSA-N 1 2 413.518 2.857 50 0 HFAALO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022931389 558524500 /nfs/dbraw/zinc/52/45/00/558524500.db2.gz KYVXNXDJTJSGIW-QGZVFWFLSA-N 1 2 406.958 2.687 50 0 HFAALO O=C(c1ccc(CN2CCCC2=O)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023804866 558576199 /nfs/dbraw/zinc/57/61/99/558576199.db2.gz ZWASTMMGYJWLGQ-UHFFFAOYSA-N 1 2 419.525 2.702 50 0 HFAALO CCc1c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)cnn1-c1ccc(F)cc1 ZINC000024915462 558620133 /nfs/dbraw/zinc/62/01/33/558620133.db2.gz JKDRRNVMGSTXFT-UHFFFAOYSA-N 1 2 409.465 2.735 50 0 HFAALO COc1cn(-c2ccccc2)nc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000014160572 558626131 /nfs/dbraw/zinc/62/61/31/558626131.db2.gz HPNYFLUKOVXXIO-UHFFFAOYSA-N 1 2 406.486 2.718 50 0 HFAALO CCCNC(=O)C[NH+]1CCN(c2nc(C)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000014187142 558631503 /nfs/dbraw/zinc/63/15/03/558631503.db2.gz QUTAQPXSXMFHDG-CQSZACIVSA-N 1 2 401.580 2.773 50 0 HFAALO Cc1ccc2c(C[NH+]3CCN(S(=O)(=O)c4cccs4)CC3)ccc(O)c2n1 ZINC000025776923 558649624 /nfs/dbraw/zinc/64/96/24/558649624.db2.gz FZDPQLIVYLLGBN-UHFFFAOYSA-N 1 2 403.529 2.817 50 0 HFAALO O=C([C@@H]1COc2ccccc2O1)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000025920858 558652263 /nfs/dbraw/zinc/65/22/63/558652263.db2.gz VZUWEYXIBUSONC-NRFANRHFSA-N 1 2 407.445 2.858 50 0 HFAALO C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000026303317 558658736 /nfs/dbraw/zinc/65/87/36/558658736.db2.gz LYWHJWROFCZELT-HNNXBMFYSA-N 1 2 402.520 2.646 50 0 HFAALO Cc1cccc(Nc2nnc(SCC(=O)NCC(C)(C)[NH+]3CCOCC3)s2)c1 ZINC000027234359 558671296 /nfs/dbraw/zinc/67/12/96/558671296.db2.gz HORJASLKEOPFHM-UHFFFAOYSA-N 1 2 421.592 2.909 50 0 HFAALO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000072270260 558673418 /nfs/dbraw/zinc/67/34/18/558673418.db2.gz BJVHYGBVWUTMPB-CQSZACIVSA-N 1 2 410.444 2.649 50 0 HFAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[N@H+](CC)CCO ZINC000014962469 558684525 /nfs/dbraw/zinc/68/45/25/558684525.db2.gz LHKGSHHKJIPZEG-UHFFFAOYSA-N 1 2 400.504 2.987 50 0 HFAALO CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C[N@@H+](CC)CCO ZINC000014962469 558684530 /nfs/dbraw/zinc/68/45/30/558684530.db2.gz LHKGSHHKJIPZEG-UHFFFAOYSA-N 1 2 400.504 2.987 50 0 HFAALO COCC[NH+]1CCN(C(=O)c2sc3ncnc(NC4CCCC4)c3c2C)CC1 ZINC000014982709 558692461 /nfs/dbraw/zinc/69/24/61/558692461.db2.gz VZAWZZWSYSNGBS-UHFFFAOYSA-N 1 2 403.552 2.758 50 0 HFAALO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000029933099 558724275 /nfs/dbraw/zinc/72/42/75/558724275.db2.gz JZPSXWKPANNTGR-MRXNPFEDSA-N 1 2 422.934 2.905 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000072311056 558778411 /nfs/dbraw/zinc/77/84/11/558778411.db2.gz MTTUJAIRHOYORN-WQIZZMQYSA-N 1 2 401.532 2.805 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000072311056 558778413 /nfs/dbraw/zinc/77/84/13/558778413.db2.gz MTTUJAIRHOYORN-WQIZZMQYSA-N 1 2 401.532 2.805 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000035181175 558788961 /nfs/dbraw/zinc/78/89/61/558788961.db2.gz TZTDZJQAOAQWBR-UHFFFAOYSA-N 1 2 422.529 2.581 50 0 HFAALO O=C(c1cc(Br)ccc1O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000016497121 558794908 /nfs/dbraw/zinc/79/49/08/558794908.db2.gz PCHMNAVGIJYVJN-UHFFFAOYSA-N 1 2 405.292 2.992 50 0 HFAALO Fc1ccc(Oc2cc(N3CCN(CC[NH+]4CCOCC4)CC3)ncn2)c(Cl)c1 ZINC000037379063 558804615 /nfs/dbraw/zinc/80/46/15/558804615.db2.gz WNJRPPKIBORZSJ-UHFFFAOYSA-N 1 2 421.904 2.516 50 0 HFAALO COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)c1 ZINC000038163176 558811025 /nfs/dbraw/zinc/81/10/25/558811025.db2.gz GYBRWYGHTJXDSF-RDJZCZTQSA-N 1 2 423.439 2.940 50 0 HFAALO Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000046141518 558840048 /nfs/dbraw/zinc/84/00/48/558840048.db2.gz GRZYEGQQNOCFCA-UHFFFAOYSA-N 1 2 422.507 2.849 50 0 HFAALO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000072313839 558841239 /nfs/dbraw/zinc/84/12/39/558841239.db2.gz XRSXXQKLBJGXDX-QGZVFWFLSA-N 1 2 411.462 2.803 50 0 HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000013543538 558842520 /nfs/dbraw/zinc/84/25/20/558842520.db2.gz OMFRZALNWCKPNE-UHFFFAOYSA-N 1 2 418.607 2.645 50 0 HFAALO Cc1ccc2[nH]c(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)[nH+]c2c1 ZINC000033070732 558866312 /nfs/dbraw/zinc/86/63/12/558866312.db2.gz UQSCQLMGZWVTPI-UHFFFAOYSA-N 1 2 421.501 2.665 50 0 HFAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N4CCN(C(=O)c5ccco5)CC4)CC3)[nH]c2c1 ZINC000033070732 558866315 /nfs/dbraw/zinc/86/63/15/558866315.db2.gz UQSCQLMGZWVTPI-UHFFFAOYSA-N 1 2 421.501 2.665 50 0 HFAALO CCOc1ccccc1N1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 ZINC000058173568 558908786 /nfs/dbraw/zinc/90/87/86/558908786.db2.gz FJZDFYKTDJMQKJ-GOSISDBHSA-N 1 2 422.529 2.971 50 0 HFAALO Cc1cc2[nH+]cn(C[C@@H](O)CNC(=O)CCc3nc(-c4ccccc4)no3)c2cc1C ZINC000058282228 558916449 /nfs/dbraw/zinc/91/64/49/558916449.db2.gz CKSXFIQGFPCRSP-SFHVURJKSA-N 1 2 419.485 2.813 50 0 HFAALO COc1cccc(C(=O)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019564556 558924710 /nfs/dbraw/zinc/92/47/10/558924710.db2.gz JEYSLFNOLYQULE-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1ccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000019567926 558926956 /nfs/dbraw/zinc/92/69/56/558926956.db2.gz QZDJUXHDZUHFAO-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019670419 558956589 /nfs/dbraw/zinc/95/65/89/558956589.db2.gz RREFYHWUHMCPOA-CQSZACIVSA-N 1 2 413.349 2.560 50 0 HFAALO CSc1ccc(C[N@@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)cc1 ZINC000064093828 558962149 /nfs/dbraw/zinc/96/21/49/558962149.db2.gz CODKYAKKMJHCDK-FPOVZHCZSA-N 1 2 422.558 2.570 50 0 HFAALO CSc1ccc(C[N@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)cc1 ZINC000064093828 558962152 /nfs/dbraw/zinc/96/21/52/558962152.db2.gz CODKYAKKMJHCDK-FPOVZHCZSA-N 1 2 422.558 2.570 50 0 HFAALO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nnc(C2CCCC2)s1 ZINC000072404670 558978160 /nfs/dbraw/zinc/97/81/60/558978160.db2.gz LBKRLBZVDXYKDH-UHFFFAOYSA-N 1 2 414.535 2.658 50 0 HFAALO CCOC(=O)C1CC[NH+](CC2=CC(C)(C)N3C(=O)C(=O)c4cc(F)cc2c43)CC1 ZINC000334160839 558980187 /nfs/dbraw/zinc/98/01/87/558980187.db2.gz NJQGPZRPBKDOTG-UHFFFAOYSA-N 1 2 400.450 2.806 50 0 HFAALO COc1ccc(Cl)cc1C(=O)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097123248 558995698 /nfs/dbraw/zinc/99/56/98/558995698.db2.gz IGVQVCQJCUHKMP-SFHVURJKSA-N 1 2 405.926 2.507 50 0 HFAALO COc1ccc(Cl)cc1C(=O)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097123248 558995700 /nfs/dbraw/zinc/99/57/00/558995700.db2.gz IGVQVCQJCUHKMP-SFHVURJKSA-N 1 2 405.926 2.507 50 0 HFAALO CCCn1c2ccc(C(=O)N3CCNC(=O)C3)cc2[nH+]c1NCc1cccc(C)c1 ZINC000077406996 559004116 /nfs/dbraw/zinc/00/41/16/559004116.db2.gz OUMYKLPRWBRJHQ-UHFFFAOYSA-N 1 2 405.502 2.939 50 0 HFAALO Cc1cc(=O)c(C(=O)NCCCn2cc[nH+]c2)nn1-c1ccccc1C(F)(F)F ZINC000023238662 559064659 /nfs/dbraw/zinc/06/46/59/559064659.db2.gz VJOYKNKNXLNOKY-UHFFFAOYSA-N 1 2 405.380 2.576 50 0 HFAALO O=C1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000100445060 559135366 /nfs/dbraw/zinc/13/53/66/559135366.db2.gz VETVGDMEYSWJDV-QMZDIEEXSA-N 1 2 403.526 2.688 50 0 HFAALO O=C1C[C@@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000100445060 559135368 /nfs/dbraw/zinc/13/53/68/559135368.db2.gz VETVGDMEYSWJDV-QMZDIEEXSA-N 1 2 403.526 2.688 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011718596 559254907 /nfs/dbraw/zinc/25/49/07/559254907.db2.gz PFQKXJIJXCTALF-ZDUSSCGKSA-N 1 2 411.524 2.657 50 0 HFAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)NC[C@H]1CCCO1)CC2 ZINC000247940386 559256041 /nfs/dbraw/zinc/25/60/41/559256041.db2.gz IIGWCBHLUMZOKX-NTKDMRAZSA-N 1 2 410.514 2.947 50 0 HFAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)NC[C@H]1CCCO1)CC2 ZINC000247940386 559256043 /nfs/dbraw/zinc/25/60/43/559256043.db2.gz IIGWCBHLUMZOKX-NTKDMRAZSA-N 1 2 410.514 2.947 50 0 HFAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nnc(C2CCC2)s1 ZINC000061720303 560536525 /nfs/dbraw/zinc/53/65/25/560536525.db2.gz GYINSGUCHSTWEB-UHFFFAOYSA-N 1 2 414.535 2.658 50 0 HFAALO Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cn2)cc1 ZINC000062006676 560565962 /nfs/dbraw/zinc/56/59/62/560565962.db2.gz PWTODGPIHQHTGH-UHFFFAOYSA-N 1 2 422.510 2.580 50 0 HFAALO CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000018240527 560785347 /nfs/dbraw/zinc/78/53/47/560785347.db2.gz FUWCXWRBHYMAAP-CTWPCTMYSA-N 1 2 418.607 2.794 50 0 HFAALO C[C@H]1CCCN(c2cc(-n3cnc(C(=O)Nc4ccc5c(c4)OCCO5)c3)nc[nH+]2)C1 ZINC000049411268 560805863 /nfs/dbraw/zinc/80/58/63/560805863.db2.gz BXYNZKJZHFBEHH-HNNXBMFYSA-N 1 2 420.473 2.922 50 0 HFAALO O=C(NC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1)c1ccccc1 ZINC000102616730 560818143 /nfs/dbraw/zinc/81/81/43/560818143.db2.gz JLNUOCLIPPGEAX-LJQANCHMSA-N 1 2 411.889 2.866 50 0 HFAALO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000103970131 560845590 /nfs/dbraw/zinc/84/55/90/560845590.db2.gz CYEDHJSVJSJLBG-UXHICEINSA-N 1 2 409.486 2.961 50 0 HFAALO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000103970131 560845591 /nfs/dbraw/zinc/84/55/91/560845591.db2.gz CYEDHJSVJSJLBG-UXHICEINSA-N 1 2 409.486 2.961 50 0 HFAALO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1C[C@H](C)O ZINC000108127626 560898057 /nfs/dbraw/zinc/89/80/57/560898057.db2.gz UGRICPRGGRCYII-NWDGAFQWSA-N 1 2 414.877 2.825 50 0 HFAALO CC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+]1C[C@H](C)O ZINC000108127626 560898058 /nfs/dbraw/zinc/89/80/58/560898058.db2.gz UGRICPRGGRCYII-NWDGAFQWSA-N 1 2 414.877 2.825 50 0 HFAALO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000048286209 568435965 /nfs/dbraw/zinc/43/59/65/568435965.db2.gz XBJCNIDTGYJINK-QGZVFWFLSA-N 1 2 409.324 2.998 50 0 HFAALO COC(=O)C1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000048286209 568435966 /nfs/dbraw/zinc/43/59/66/568435966.db2.gz XBJCNIDTGYJINK-QGZVFWFLSA-N 1 2 409.324 2.998 50 0 HFAALO Cc1oc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000048309068 568436352 /nfs/dbraw/zinc/43/63/52/568436352.db2.gz ANRAKPSFQLURTP-UHFFFAOYSA-N 1 2 414.487 2.870 50 0 HFAALO O=S(=O)(c1ccc(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)o1)N1CCCC1 ZINC000048299676 568437332 /nfs/dbraw/zinc/43/73/32/568437332.db2.gz WBCAZMUYQKXJQT-GOSISDBHSA-N 1 2 405.520 2.640 50 0 HFAALO O=S(=O)(c1ccc(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)o1)N1CCCC1 ZINC000048299676 568437333 /nfs/dbraw/zinc/43/73/33/568437333.db2.gz WBCAZMUYQKXJQT-GOSISDBHSA-N 1 2 405.520 2.640 50 0 HFAALO Cc1cc(C(=O)NC2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000048332612 568439146 /nfs/dbraw/zinc/43/91/46/568439146.db2.gz RTKUKDQUWSFFSJ-UHFFFAOYSA-N 1 2 410.396 2.835 50 0 HFAALO C[C@@H]1CN(C(=O)C2CC[NH+](Cn3c(=O)oc4cc(Cl)ccc43)CC2)C[C@H](C)O1 ZINC000048341633 568440417 /nfs/dbraw/zinc/44/04/17/568440417.db2.gz MAFTVCDAROBWOY-OKILXGFUSA-N 1 2 407.898 2.553 50 0 HFAALO O=C(N1CC[NH+](C[C@@H](O)c2cccs2)CC1)C1(c2ccccc2)CCOCC1 ZINC000049031207 568445861 /nfs/dbraw/zinc/44/58/61/568445861.db2.gz OKBJXRZTDJNPGK-LJQANCHMSA-N 1 2 400.544 2.674 50 0 HFAALO O=C(C[NH+]1CC(c2nc(-c3ncccn3)no2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000049483124 568450873 /nfs/dbraw/zinc/45/08/73/568450873.db2.gz JSLWNVYSWSDLSE-UHFFFAOYSA-N 1 2 404.352 2.583 50 0 HFAALO CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2c1=O ZINC000390829669 568591910 /nfs/dbraw/zinc/59/19/10/568591910.db2.gz FUKMSBSMXAGOBU-UHFFFAOYSA-N 1 2 421.501 2.650 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000095433264 568609428 /nfs/dbraw/zinc/60/94/28/568609428.db2.gz UGRICPRGGRCYII-NEPJUHHUSA-N 1 2 414.877 2.825 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC[N@H+]1C[C@@H](C)O ZINC000095433264 568609430 /nfs/dbraw/zinc/60/94/30/568609430.db2.gz UGRICPRGGRCYII-NEPJUHHUSA-N 1 2 414.877 2.825 50 0 HFAALO COc1ccc(-n2cc(C(=O)NCCc3c[nH+]c[nH]3)c3ccccc3c2=O)c(OC)c1 ZINC000095479538 568632633 /nfs/dbraw/zinc/63/26/33/568632633.db2.gz IYONNMUWEBXIJF-UHFFFAOYSA-N 1 2 418.453 2.704 50 0 HFAALO COc1ccc(-n2cc(C(=O)NCCc3c[nH]c[nH+]3)c3ccccc3c2=O)c(OC)c1 ZINC000095479538 568632635 /nfs/dbraw/zinc/63/26/35/568632635.db2.gz IYONNMUWEBXIJF-UHFFFAOYSA-N 1 2 418.453 2.704 50 0 HFAALO Cc1cc(C)cc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000020611164 568636992 /nfs/dbraw/zinc/63/69/92/568636992.db2.gz GVTGEOCIIAPYIW-FQEVSTJZSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO O=C(NCC[NH+]1CCOCC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020729628 568640620 /nfs/dbraw/zinc/64/06/20/568640620.db2.gz BFVCAWAKIWCXSO-HMMYKYKNSA-N 1 2 409.511 2.834 50 0 HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2cccc(C)c2C)CC1 ZINC000020730295 568641010 /nfs/dbraw/zinc/64/10/10/568641010.db2.gz AREGUONWGWHLCO-UHFFFAOYSA-N 1 2 418.607 2.645 50 0 HFAALO Cc1ccc(C)c(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020757294 568641878 /nfs/dbraw/zinc/64/18/78/568641878.db2.gz DFETYLIKBIBOAP-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(C)c(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020757294 568641881 /nfs/dbraw/zinc/64/18/81/568641881.db2.gz DFETYLIKBIBOAP-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000020902089 568650096 /nfs/dbraw/zinc/65/00/96/568650096.db2.gz TWLSVIUPCJBWIR-JOCHJYFZSA-N 1 2 400.482 2.936 50 0 HFAALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000020902089 568650098 /nfs/dbraw/zinc/65/00/98/568650098.db2.gz TWLSVIUPCJBWIR-JOCHJYFZSA-N 1 2 400.482 2.936 50 0 HFAALO Cn1nc(CC(=O)NCCCCCc2[nH]c3ccccc3[nH+]2)c2ccccc2c1=O ZINC000096117737 568697329 /nfs/dbraw/zinc/69/73/29/568697329.db2.gz JXOZJMXWMIGHAK-UHFFFAOYSA-N 1 2 403.486 2.882 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1CC ZINC000021473088 568703376 /nfs/dbraw/zinc/70/33/76/568703376.db2.gz HQXXKCOKIKHIKM-WBVHZDCISA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1CC ZINC000021473088 568703378 /nfs/dbraw/zinc/70/33/78/568703378.db2.gz HQXXKCOKIKHIKM-WBVHZDCISA-N 1 2 415.490 2.503 50 0 HFAALO COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232003 568707727 /nfs/dbraw/zinc/70/77/27/568707727.db2.gz LMRBOLYROUBKIA-NSHDSACASA-N 1 2 402.428 2.872 50 0 HFAALO O=C(Cn1nc2c(cc1=O)CCCCC2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096345291 568737460 /nfs/dbraw/zinc/73/74/60/568737460.db2.gz ZAYUIKJMDWSEKL-UHFFFAOYSA-N 1 2 414.937 2.510 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)c(Cl)c1 ZINC000021847376 568754731 /nfs/dbraw/zinc/75/47/31/568754731.db2.gz PBVFXMZBIGVCFD-UHFFFAOYSA-N 1 2 405.857 2.964 50 0 HFAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1CCCCC1 ZINC000056945155 568821376 /nfs/dbraw/zinc/82/13/76/568821376.db2.gz WVTXORPVJNRSHE-NRFANRHFSA-N 1 2 424.545 2.708 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414238 568833288 /nfs/dbraw/zinc/83/32/88/568833288.db2.gz OKDICNULOVVLEX-JOCHJYFZSA-N 1 2 420.513 2.598 50 0 HFAALO COc1cccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2[nH+]ccn2C)c1 ZINC000029813923 568834559 /nfs/dbraw/zinc/83/45/59/568834559.db2.gz RXUHGUJGAVSFSB-JOCHJYFZSA-N 1 2 420.469 2.598 50 0 HFAALO Cc1cccn2cc(COc3ccc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cc3)[nH+]c12 ZINC000012544273 568849501 /nfs/dbraw/zinc/84/95/01/568849501.db2.gz PMOKGNSIDQPODZ-NRFANRHFSA-N 1 2 413.499 2.529 50 0 HFAALO Cc1cnc2c(cccc2S(=O)(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000012545838 568850451 /nfs/dbraw/zinc/85/04/51/568850451.db2.gz ZUVCKMMNPKYJCL-UHFFFAOYSA-N 1 2 423.538 2.985 50 0 HFAALO COc1ccc([C@H](NC(=O)C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)C2CC2)cc1 ZINC000083937853 568926699 /nfs/dbraw/zinc/92/66/99/568926699.db2.gz FTCCEFFBNTUWFW-HSZRJFAPSA-N 1 2 422.529 2.506 50 0 HFAALO COc1ccc([C@H](NC(=O)C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)C2CC2)cc1 ZINC000083937853 568926701 /nfs/dbraw/zinc/92/67/01/568926701.db2.gz FTCCEFFBNTUWFW-HSZRJFAPSA-N 1 2 422.529 2.506 50 0 HFAALO O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000012757032 568944282 /nfs/dbraw/zinc/94/42/82/568944282.db2.gz DRIUOIMHZIPECY-UHFFFAOYSA-N 1 2 406.471 2.966 50 0 HFAALO O=C(CCNC(=O)c1ccco1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012767682 568949486 /nfs/dbraw/zinc/94/94/86/568949486.db2.gz RCLSPYCHUVQUKP-UHFFFAOYSA-N 1 2 409.408 2.763 50 0 HFAALO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000084715121 568956876 /nfs/dbraw/zinc/95/68/76/568956876.db2.gz VXDYWCDRIVDUJR-AAEUAGOBSA-N 1 2 402.442 2.692 50 0 HFAALO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000084715121 568956877 /nfs/dbraw/zinc/95/68/77/568956877.db2.gz VXDYWCDRIVDUJR-AAEUAGOBSA-N 1 2 402.442 2.692 50 0 HFAALO CCOc1cc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccccc1 ZINC000004279343 568958359 /nfs/dbraw/zinc/95/83/59/568958359.db2.gz KRJYIOCJRFDRMQ-HXUWFJFHSA-N 1 2 405.458 2.683 50 0 HFAALO CCOC(=O)C1([N@H+](C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000084791218 568959521 /nfs/dbraw/zinc/95/95/21/568959521.db2.gz FZJRMTOZXBKNBE-LJQANCHMSA-N 1 2 401.551 2.827 50 0 HFAALO CCOC(=O)C1([N@@H+](C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CCCCC1 ZINC000084791218 568959523 /nfs/dbraw/zinc/95/95/23/568959523.db2.gz FZJRMTOZXBKNBE-LJQANCHMSA-N 1 2 401.551 2.827 50 0 HFAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000008279535 568987344 /nfs/dbraw/zinc/98/73/44/568987344.db2.gz XHYQZCJFQJYDOR-UHFFFAOYSA-N 1 2 417.513 2.894 50 0 HFAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cnn(Cc2ccccc2)c1 ZINC000008279535 568987346 /nfs/dbraw/zinc/98/73/46/568987346.db2.gz XHYQZCJFQJYDOR-UHFFFAOYSA-N 1 2 417.513 2.894 50 0 HFAALO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000008345512 568994491 /nfs/dbraw/zinc/99/44/91/568994491.db2.gz MMDSZUJJMKXERA-FUHWJXTLSA-N 1 2 415.563 2.639 50 0 HFAALO Cc1ccc(CNC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012821232 569004920 /nfs/dbraw/zinc/00/49/20/569004920.db2.gz YXGONOURNUJBPK-UHFFFAOYSA-N 1 2 408.498 2.977 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)cc1C ZINC000104503452 569008856 /nfs/dbraw/zinc/00/88/56/569008856.db2.gz MLIDYSFHDCCXGU-OAQYLSRUSA-N 1 2 412.530 2.844 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)cc1C ZINC000104503452 569008857 /nfs/dbraw/zinc/00/88/57/569008857.db2.gz MLIDYSFHDCCXGU-OAQYLSRUSA-N 1 2 412.530 2.844 50 0 HFAALO Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000034887709 569012709 /nfs/dbraw/zinc/01/27/09/569012709.db2.gz VRKPHZDQXWJMCJ-OQKWZONESA-N 1 2 407.514 2.523 50 0 HFAALO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000035269265 569015716 /nfs/dbraw/zinc/01/57/16/569015716.db2.gz BVWFAGFBMJNNRJ-UHFFFAOYSA-N 1 2 412.471 2.976 50 0 HFAALO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012933980 569025711 /nfs/dbraw/zinc/02/57/11/569025711.db2.gz IYBWZERJJOLWSJ-UHFFFAOYSA-N 1 2 414.922 2.631 50 0 HFAALO O=C([C@@H](c1ccccc1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1 ZINC000053517381 569031230 /nfs/dbraw/zinc/03/12/30/569031230.db2.gz IKIBJFSFJMPHEQ-JOCHJYFZSA-N 1 2 420.513 2.567 50 0 HFAALO COc1ccc(-c2cc(N3CCC[C@@H](C(=O)NCCCn4cc[nH+]c4)C3)ncn2)cc1 ZINC000090567478 569041209 /nfs/dbraw/zinc/04/12/09/569041209.db2.gz DBKMWZYUOKVGLI-LJQANCHMSA-N 1 2 420.517 2.772 50 0 HFAALO C[C@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)CCCc2ccccc2)C[C@H](C)O1 ZINC000035590459 569045369 /nfs/dbraw/zinc/04/53/69/569045369.db2.gz ADQVYNYGMVSSPQ-ROUUACIJSA-N 1 2 422.533 2.579 50 0 HFAALO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000035593016 569045464 /nfs/dbraw/zinc/04/54/64/569045464.db2.gz LLUFXQNRMSXOIE-HXUWFJFHSA-N 1 2 408.495 2.576 50 0 HFAALO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1F ZINC000035593016 569045465 /nfs/dbraw/zinc/04/54/65/569045465.db2.gz LLUFXQNRMSXOIE-HXUWFJFHSA-N 1 2 408.495 2.576 50 0 HFAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCC1)c1cc(-c2ccccc2)on1 ZINC000035590497 569045473 /nfs/dbraw/zinc/04/54/73/569045473.db2.gz AVSMHTABEWNLPN-UHFFFAOYSA-N 1 2 403.446 2.512 50 0 HFAALO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000241774151 569054882 /nfs/dbraw/zinc/05/48/82/569054882.db2.gz RNLYUYWZMJTODA-SFTDATJTSA-N 1 2 404.576 2.652 50 0 HFAALO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000241774151 569054883 /nfs/dbraw/zinc/05/48/83/569054883.db2.gz RNLYUYWZMJTODA-SFTDATJTSA-N 1 2 404.576 2.652 50 0 HFAALO COCCOc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000069531696 569056886 /nfs/dbraw/zinc/05/68/86/569056886.db2.gz MZIPTXRRJVXQAP-UHFFFAOYSA-N 1 2 415.515 2.744 50 0 HFAALO Cc1onc(-c2ccncc2)c1C(=O)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000064472279 569063546 /nfs/dbraw/zinc/06/35/46/569063546.db2.gz CNCLUCBRBSCSLU-UHFFFAOYSA-N 1 2 409.465 2.736 50 0 HFAALO CC[C@H](C)[N@H+](Cc1nc(C(=O)NCCOC)co1)Cc1ccc(OC)cc1OC ZINC000036082580 569087065 /nfs/dbraw/zinc/08/70/65/569087065.db2.gz TZPNYPNSKNOKRR-HNNXBMFYSA-N 1 2 405.495 2.869 50 0 HFAALO CC[C@H](C)[N@@H+](Cc1nc(C(=O)NCCOC)co1)Cc1ccc(OC)cc1OC ZINC000036082580 569087066 /nfs/dbraw/zinc/08/70/66/569087066.db2.gz TZPNYPNSKNOKRR-HNNXBMFYSA-N 1 2 405.495 2.869 50 0 HFAALO COc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCCC2)cc1OC ZINC000064761557 569091403 /nfs/dbraw/zinc/09/14/03/569091403.db2.gz NPVIDTNHXZZEMR-UHFFFAOYSA-N 1 2 424.505 2.540 50 0 HFAALO CCCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036250778 569119844 /nfs/dbraw/zinc/11/98/44/569119844.db2.gz MDEIOMNULBEOGT-NRFANRHFSA-N 1 2 401.551 2.880 50 0 HFAALO Cc1cccc(C(=O)N2CC[NH+]([C@@H](C(=O)NC[C@@H]3CCCO3)C3CCCC3)CC2)c1 ZINC000036254107 569120064 /nfs/dbraw/zinc/12/00/64/569120064.db2.gz BGKJQSMHZYQUJE-FCHUYYIVSA-N 1 2 413.562 2.607 50 0 HFAALO Cc1cccc(C(=O)N2CC[NH+]([C@H](C(=O)NC[C@@H]3CCCO3)C3CCCC3)CC2)c1 ZINC000036254104 569120165 /nfs/dbraw/zinc/12/01/65/569120165.db2.gz BGKJQSMHZYQUJE-VXKWHMMOSA-N 1 2 413.562 2.607 50 0 HFAALO CC[N@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)c1cccc(C)c1 ZINC000006797269 569125227 /nfs/dbraw/zinc/12/52/27/569125227.db2.gz DQUIYLAIHZDCFT-UHFFFAOYSA-N 1 2 417.513 2.990 50 0 HFAALO CC[N@@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)c1cccc(C)c1 ZINC000006797269 569125228 /nfs/dbraw/zinc/12/52/28/569125228.db2.gz DQUIYLAIHZDCFT-UHFFFAOYSA-N 1 2 417.513 2.990 50 0 HFAALO COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000169681399 569127325 /nfs/dbraw/zinc/12/73/25/569127325.db2.gz PTKZVOVYTQPIKW-QGZVFWFLSA-N 1 2 409.534 2.926 50 0 HFAALO CC(C)(C)OC(=O)N1CC[NH+](CCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000036392425 569167572 /nfs/dbraw/zinc/16/75/72/569167572.db2.gz BSYOIASGSKFCDL-UHFFFAOYSA-N 1 2 417.959 2.561 50 0 HFAALO CCc1ccccc1S(=O)(=O)N1CC[NH+](CCc2cn(C)c3ncccc23)CC1 ZINC000065164760 569189415 /nfs/dbraw/zinc/18/94/15/569189415.db2.gz YSXSNOUFWZEKLL-UHFFFAOYSA-N 1 2 412.559 2.685 50 0 HFAALO C[NH+]1CCN(C(=O)c2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)CC1 ZINC000065211662 569196915 /nfs/dbraw/zinc/19/69/15/569196915.db2.gz FJWIPAQHVNBWAJ-UHFFFAOYSA-N 1 2 405.955 2.511 50 0 HFAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000007976208 569211220 /nfs/dbraw/zinc/21/12/20/569211220.db2.gz BZRHULFXMYUTQL-UHFFFAOYSA-N 1 2 418.291 2.875 50 0 HFAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000007976208 569211221 /nfs/dbraw/zinc/21/12/21/569211221.db2.gz BZRHULFXMYUTQL-UHFFFAOYSA-N 1 2 418.291 2.875 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1cc(C)cc(C)c1)C2 ZINC000065265781 569212905 /nfs/dbraw/zinc/21/29/05/569212905.db2.gz UWPNXNMXJDGSKQ-XMMPIXPASA-N 1 2 406.530 2.958 50 0 biogenic HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccc(OC)cc1C)C2 ZINC000065265771 569212961 /nfs/dbraw/zinc/21/29/61/569212961.db2.gz GMXVFIFDSWDNII-XMMPIXPASA-N 1 2 422.529 2.658 50 0 biogenic HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCCCC1)NCc1cc(F)cc(F)c1 ZINC000065295304 569218726 /nfs/dbraw/zinc/21/87/26/569218726.db2.gz MTSVQECEJCEHOM-UHFFFAOYSA-N 1 2 400.433 2.801 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700276 569222693 /nfs/dbraw/zinc/22/26/93/569222693.db2.gz KXNUXSISRGKJDV-OAQYLSRUSA-N 1 2 404.532 2.827 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700276 569222694 /nfs/dbraw/zinc/22/26/94/569222694.db2.gz KXNUXSISRGKJDV-OAQYLSRUSA-N 1 2 404.532 2.827 50 0 HFAALO C[S@@](=O)Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)c1 ZINC000065488170 569231749 /nfs/dbraw/zinc/23/17/49/569231749.db2.gz GBAISIDTSCZBPN-DEOSSOPVSA-N 1 2 406.305 2.905 50 0 HFAALO O=S(=O)(c1ccc(N2CC[NH+](Cc3ccccc3)CC2)nn1)C1CCCCC1 ZINC000016843658 569264876 /nfs/dbraw/zinc/26/48/76/569264876.db2.gz FVVZYPZOPOBIAO-UHFFFAOYSA-N 1 2 400.548 2.905 50 0 HFAALO C[C@H](CNS(=O)(=O)Cc1c(F)cccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000089901311 569268198 /nfs/dbraw/zinc/26/81/98/569268198.db2.gz VFHICFLPLGKPHE-MRXNPFEDSA-N 1 2 409.502 2.595 50 0 HFAALO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921941 569268784 /nfs/dbraw/zinc/26/87/84/569268784.db2.gz YLCBFOSDRMFWQK-OXQOHEQNSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921941 569268786 /nfs/dbraw/zinc/26/87/86/569268786.db2.gz YLCBFOSDRMFWQK-OXQOHEQNSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(N3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000089921941 569268788 /nfs/dbraw/zinc/26/87/88/569268788.db2.gz YLCBFOSDRMFWQK-OXQOHEQNSA-N 1 2 407.518 2.598 50 0 HFAALO COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCSCC2)cc1 ZINC000253407176 569366160 /nfs/dbraw/zinc/36/61/60/569366160.db2.gz VRBQQDUVORPDKM-SFHVURJKSA-N 1 2 410.561 2.540 50 0 HFAALO CCCCCCn1c(N)c(C(=O)NCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000002297053 569369555 /nfs/dbraw/zinc/36/95/55/569369555.db2.gz WZYFUROSSURMGZ-UHFFFAOYSA-N 1 2 424.549 2.809 50 0 HFAALO CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(C)cc2)c1NCC[NH+]1CCOCC1 ZINC000012860370 569404184 /nfs/dbraw/zinc/40/41/84/569404184.db2.gz QEURLJMATJXYHZ-UHFFFAOYSA-N 1 2 423.517 2.958 50 0 HFAALO COC(=O)c1ccoc1CN1C[C@@H]2CCC[N@H+](Cc3occc3C(=O)OC)[C@@H]2C1 ZINC000078969680 569422477 /nfs/dbraw/zinc/42/24/77/569422477.db2.gz IBHPLTMXHKWDFY-WMLDXEAASA-N 1 2 402.447 2.542 50 0 HFAALO COC(=O)c1ccoc1CN1C[C@@H]2CCC[N@@H+](Cc3occc3C(=O)OC)[C@@H]2C1 ZINC000078969680 569422478 /nfs/dbraw/zinc/42/24/78/569422478.db2.gz IBHPLTMXHKWDFY-WMLDXEAASA-N 1 2 402.447 2.542 50 0 HFAALO CC(C)n1cnnc1CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000079021125 569424308 /nfs/dbraw/zinc/42/43/08/569424308.db2.gz ACSRGWBPYCWAOI-IRXDYDNUSA-N 1 2 400.527 2.832 50 0 HFAALO CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c[nH+]1 ZINC000040120958 571176902 /nfs/dbraw/zinc/17/69/02/571176902.db2.gz QKHWSNROEMMUBG-MRXNPFEDSA-N 1 2 420.435 2.831 50 0 HFAALO Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)c(C)c1 ZINC000040139077 571188964 /nfs/dbraw/zinc/18/89/64/571188964.db2.gz YZHGIGKJAYTWKP-UHFFFAOYSA-N 1 2 411.550 2.654 50 0 HFAALO COc1cccc(CNc2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c(C)n2)c1 ZINC000021035544 571314886 /nfs/dbraw/zinc/31/48/86/571314886.db2.gz NKYXRWYJRJHQPJ-UHFFFAOYSA-N 1 2 418.501 2.763 50 0 HFAALO Cc1cc(C)nc(N2CCN(c3[nH+]cnc4c3cnn4Cc3ccccc3)CC2)n1 ZINC000006760605 132315130 /nfs/dbraw/zinc/31/51/30/132315130.db2.gz QXECPSZXQUMIEB-UHFFFAOYSA-N 1 2 400.490 2.608 50 0 HFAALO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000008313287 132329317 /nfs/dbraw/zinc/32/93/17/132329317.db2.gz QWZMKHNYBFJWMC-LJQANCHMSA-N 1 2 420.538 2.833 50 0 HFAALO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000012562582 132364010 /nfs/dbraw/zinc/36/40/10/132364010.db2.gz BLDSBGKIDMBKAR-SFHVURJKSA-N 1 2 412.509 2.742 50 0 HFAALO CC(C)[C@H]1c2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2NC1=O ZINC000020577637 519828928 /nfs/dbraw/zinc/82/89/28/519828928.db2.gz MULZQNIBBPVYNK-NRFANRHFSA-N 1 2 413.543 2.885 50 0 HFAALO C[N@@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)CN1C(=O)c2ccccc2C1=O ZINC000032770250 523213275 /nfs/dbraw/zinc/21/32/75/523213275.db2.gz DCHANQLFFDYWII-UHFFFAOYSA-N 1 2 405.376 2.664 50 0 HFAALO C[N@H+](Cc1ccc(C(=O)NCC(F)(F)F)cc1)CN1C(=O)c2ccccc2C1=O ZINC000032770250 523213283 /nfs/dbraw/zinc/21/32/83/523213283.db2.gz DCHANQLFFDYWII-UHFFFAOYSA-N 1 2 405.376 2.664 50 0 HFAALO COc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1OC ZINC000032501882 523764128 /nfs/dbraw/zinc/76/41/28/523764128.db2.gz WQSGDMRWPXTPIU-UHFFFAOYSA-N 1 2 410.474 2.638 50 0 HFAALO Cc1cc(C)n2nc(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)nc2n1 ZINC000032757363 524566692 /nfs/dbraw/zinc/56/66/92/524566692.db2.gz JCQRPZHAXGRKRN-UHFFFAOYSA-N 1 2 406.515 2.914 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)COc1ccc(C(C)=O)cc1OC)c1[nH+]ccn1C ZINC000032842387 524737461 /nfs/dbraw/zinc/73/74/61/524737461.db2.gz RXRNOUILAGAEPE-JOCHJYFZSA-N 1 2 423.469 2.925 50 0 HFAALO COc1ccccc1[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1[nH+]ccn1C ZINC000032802538 524795223 /nfs/dbraw/zinc/79/52/23/524795223.db2.gz XPFXKOYNGSVIQM-NRFANRHFSA-N 1 2 422.485 2.831 50 0 HFAALO COc1ccccc1[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1[nH+]ccn1C ZINC000032802533 524795963 /nfs/dbraw/zinc/79/59/63/524795963.db2.gz UHCHBBVEXKORJN-FQEVSTJZSA-N 1 2 408.458 2.789 50 0 HFAALO CS(=O)(=O)N1CCCc2cc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)ccc21 ZINC000032860054 525171701 /nfs/dbraw/zinc/17/17/01/525171701.db2.gz GMHIUEBWTNUNIM-UHFFFAOYSA-N 1 2 424.526 2.574 50 0 HFAALO O=C(NCCCc1nc2ccccc2[nH]1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032809209 526281746 /nfs/dbraw/zinc/28/17/46/526281746.db2.gz LKJXZGVZPKVDLD-OAQYLSRUSA-N 1 2 407.518 2.868 50 0 HFAALO S=C1N=NC(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)N1c1ccccc1 ZINC000022883100 526390632 /nfs/dbraw/zinc/39/06/32/526390632.db2.gz PSTBPHZVEZZXKS-UHFFFAOYSA-N 1 2 409.515 2.603 50 0 HFAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nc2c(s1)CCCC2 ZINC000040287576 526414350 /nfs/dbraw/zinc/41/43/50/526414350.db2.gz MGNUYJZITSYFTE-UHFFFAOYSA-N 1 2 413.547 2.875 50 0 HFAALO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000032836127 526707489 /nfs/dbraw/zinc/70/74/89/526707489.db2.gz JONFKNKBIVXOGO-QFIPXVFZSA-N 1 2 420.513 2.850 50 0 HFAALO O=C(C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC[C@@H]1CCCO1 ZINC000025355500 526745032 /nfs/dbraw/zinc/74/50/32/526745032.db2.gz OKSBCNBOCUCTDH-AWEZNQCLSA-N 1 2 420.863 2.561 50 0 HFAALO O=C(C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC[C@@H]1CCCO1 ZINC000025355500 526745034 /nfs/dbraw/zinc/74/50/34/526745034.db2.gz OKSBCNBOCUCTDH-AWEZNQCLSA-N 1 2 420.863 2.561 50 0 HFAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(Br)o1 ZINC000032611711 527515028 /nfs/dbraw/zinc/51/50/28/527515028.db2.gz SIRDFOALBJMSFY-UHFFFAOYSA-N 1 2 419.279 2.976 50 0 HFAALO CCc1cc(N2CCOCC2)nc(SCc2cccc(C(=O)NCCOC)c2)[nH+]1 ZINC000006695727 536146664 /nfs/dbraw/zinc/14/66/64/536146664.db2.gz ACZHBCWRYPBWMI-UHFFFAOYSA-N 1 2 416.547 2.544 50 0 HFAALO CC(C)COC[C@@H](O)C[N@@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000034667253 557361073 /nfs/dbraw/zinc/36/10/73/557361073.db2.gz LGAIMUBKPTYZNE-VXKWHMMOSA-N 1 2 424.557 2.658 50 0 HFAALO CC(C)COC[C@@H](O)C[N@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000034667253 557361075 /nfs/dbraw/zinc/36/10/75/557361075.db2.gz LGAIMUBKPTYZNE-VXKWHMMOSA-N 1 2 424.557 2.658 50 0 HFAALO CC(C)CCN(C[C@H]1C[N@H+](C[C@H](O)COC(C)C)CCO1)C(=O)c1ccccc1 ZINC000034685526 557388290 /nfs/dbraw/zinc/38/82/90/557388290.db2.gz CKKPDCNYBMFWCQ-FCHUYYIVSA-N 1 2 406.567 2.662 50 0 HFAALO CC(C)CCN(C[C@H]1C[N@@H+](C[C@H](O)COC(C)C)CCO1)C(=O)c1ccccc1 ZINC000034685526 557388292 /nfs/dbraw/zinc/38/82/92/557388292.db2.gz CKKPDCNYBMFWCQ-FCHUYYIVSA-N 1 2 406.567 2.662 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000022906652 557852427 /nfs/dbraw/zinc/85/24/27/557852427.db2.gz VHXXRSIXUBIBAI-QHCPKHFHSA-N 1 2 414.509 2.614 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000022906652 557852429 /nfs/dbraw/zinc/85/24/29/557852429.db2.gz VHXXRSIXUBIBAI-QHCPKHFHSA-N 1 2 414.509 2.614 50 0 HFAALO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000019794853 558284057 /nfs/dbraw/zinc/28/40/57/558284057.db2.gz LOXSGRKDXXAGQV-QGZVFWFLSA-N 1 2 411.468 2.764 50 0 HFAALO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000019834695 558292161 /nfs/dbraw/zinc/29/21/61/558292161.db2.gz WWOJVITZZNUECK-GOSISDBHSA-N 1 2 414.506 2.906 50 0 HFAALO CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CC[NH+](C)CC2)s1 ZINC000019835211 558292462 /nfs/dbraw/zinc/29/24/62/558292462.db2.gz PGLUPFDXMXYLKD-UHFFFAOYSA-N 1 2 401.532 2.736 50 0 HFAALO O=C1c2cc(Br)ccc2N(CN2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019848283 558294861 /nfs/dbraw/zinc/29/48/61/558294861.db2.gz QUPZCMVSGPNWCY-UHFFFAOYSA-N 1 2 414.303 2.754 50 0 HFAALO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1OC ZINC000020149300 558340135 /nfs/dbraw/zinc/34/01/35/558340135.db2.gz MGNQVVLEXCINKX-UHFFFAOYSA-N 1 2 421.497 2.981 50 0 HFAALO COc1cccc(N2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1 ZINC000020274386 558353366 /nfs/dbraw/zinc/35/33/66/558353366.db2.gz FPPZQTKXQYKCGI-IBGZPJMESA-N 1 2 417.868 2.942 50 0 HFAALO COc1ccc(NC(=S)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1OC ZINC000020294222 558354149 /nfs/dbraw/zinc/35/41/49/558354149.db2.gz SDWSNQKBDXTHKN-UHFFFAOYSA-N 1 2 403.552 2.569 50 0 HFAALO C[N@H+](CC[C@H]1CCCCO1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F ZINC000012305340 558374549 /nfs/dbraw/zinc/37/45/49/558374549.db2.gz AFYZSSMQHRIWGG-GOSISDBHSA-N 1 2 409.527 2.865 50 0 HFAALO C[N@@H+](CC[C@H]1CCCCO1)Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F ZINC000012305340 558374552 /nfs/dbraw/zinc/37/45/52/558374552.db2.gz AFYZSSMQHRIWGG-GOSISDBHSA-N 1 2 409.527 2.865 50 0 HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2c3cc(Cl)ccc3[nH]c2C(=O)OC)CC1 ZINC000004337187 558421491 /nfs/dbraw/zinc/42/14/91/558421491.db2.gz AKGVTMORJOAKQP-UHFFFAOYSA-N 1 2 421.881 2.822 50 0 HFAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000020993656 558426645 /nfs/dbraw/zinc/42/66/45/558426645.db2.gz JWKNTZIPMLPCRS-UHFFFAOYSA-N 1 2 410.440 2.875 50 0 HFAALO COC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012754166 558459464 /nfs/dbraw/zinc/45/94/64/558459464.db2.gz QOWLULJVCGUEMN-HSZRJFAPSA-N 1 2 421.541 2.682 50 0 HFAALO COC1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012754166 558459468 /nfs/dbraw/zinc/45/94/68/558459468.db2.gz QOWLULJVCGUEMN-HSZRJFAPSA-N 1 2 421.541 2.682 50 0 HFAALO O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000022633351 558503665 /nfs/dbraw/zinc/50/36/65/558503665.db2.gz GPJCGQLBZYUCHJ-SFHVURJKSA-N 1 2 419.319 2.647 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000022772275 558508652 /nfs/dbraw/zinc/50/86/52/558508652.db2.gz AOKALXINVNZFPL-UHFFFAOYSA-N 1 2 422.529 2.772 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1F ZINC000022788369 558511530 /nfs/dbraw/zinc/51/15/30/558511530.db2.gz OJTKQKABONUZNE-OAHLLOKOSA-N 1 2 415.465 2.708 50 0 HFAALO CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022893826 558518833 /nfs/dbraw/zinc/51/88/33/558518833.db2.gz HZBORRREJVOCEN-INIZCTEOSA-N 1 2 400.548 2.547 50 0 HFAALO O[C@@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 ZINC000022925048 558522759 /nfs/dbraw/zinc/52/27/59/558522759.db2.gz IELBVTHKITZNKK-HXUWFJFHSA-N 1 2 424.419 2.949 50 0 HFAALO O[C@@H](CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Oc1ccc(C(F)(F)F)cc1 ZINC000022925048 558522764 /nfs/dbraw/zinc/52/27/64/558522764.db2.gz IELBVTHKITZNKK-HXUWFJFHSA-N 1 2 424.419 2.949 50 0 HFAALO C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023761194 558574435 /nfs/dbraw/zinc/57/44/35/558574435.db2.gz LSRWCYVFQXHYML-ZMPRRUGASA-N 1 2 409.490 2.550 50 0 HFAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000023818737 558577041 /nfs/dbraw/zinc/57/70/41/558577041.db2.gz WZTXBHXXAGFBPH-IBGZPJMESA-N 1 2 423.469 2.789 50 0 HFAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000023818737 558577044 /nfs/dbraw/zinc/57/70/44/558577044.db2.gz WZTXBHXXAGFBPH-IBGZPJMESA-N 1 2 423.469 2.789 50 0 HFAALO CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C(=O)N3CCCCCC3)CC1)C2=O ZINC000023854007 558577973 /nfs/dbraw/zinc/57/79/73/558577973.db2.gz RDQSIUGOQYAMSQ-UHFFFAOYSA-N 1 2 404.555 2.559 50 0 HFAALO COc1ccc([C@@H](CNC(=O)Cc2ccc(OC)c(F)c2)[NH+]2CCOCC2)cc1 ZINC000014113686 558621158 /nfs/dbraw/zinc/62/11/58/558621158.db2.gz OARYSFBBYMVDFH-HXUWFJFHSA-N 1 2 402.466 2.575 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1 ZINC000014185244 558630274 /nfs/dbraw/zinc/63/02/74/558630274.db2.gz RZFOZYNYFPIAGH-IBGZPJMESA-N 1 2 413.543 2.706 50 0 HFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000014235211 558641190 /nfs/dbraw/zinc/64/11/90/558641190.db2.gz PIPBUTJWOJSAMF-UHFFFAOYSA-N 1 2 407.514 2.571 50 0 HFAALO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[NH+](CCO)CC2)cc1C ZINC000025702080 558648296 /nfs/dbraw/zinc/64/82/96/558648296.db2.gz UJJZAWZFFUMIIW-UHFFFAOYSA-N 1 2 404.514 2.906 50 0 HFAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000072308312 558770136 /nfs/dbraw/zinc/77/01/36/558770136.db2.gz WWXIDHBSEZCVCO-QGZVFWFLSA-N 1 2 413.518 2.903 50 0 HFAALO CO[C@H](C)c1noc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)n1 ZINC000072311040 558778128 /nfs/dbraw/zinc/77/81/28/558778128.db2.gz KXLHMRKBMPTWPR-LLVKDONJSA-N 1 2 424.299 2.785 50 0 HFAALO CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000035804726 558795258 /nfs/dbraw/zinc/79/52/58/558795258.db2.gz CPRQDHUTVJIGMM-UHFFFAOYSA-N 1 2 417.531 2.662 50 0 HFAALO CSc1ccccc1OCc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)no1 ZINC000036383499 558799563 /nfs/dbraw/zinc/79/95/63/558799563.db2.gz YDYLYGFSWXIZCV-UHFFFAOYSA-N 1 2 405.520 2.816 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)c1 ZINC000072312191 558799805 /nfs/dbraw/zinc/79/98/05/558799805.db2.gz WDWQXSXOENNPOZ-UHFFFAOYSA-N 1 2 423.311 2.587 50 0 HFAALO CCn1ncc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1C ZINC000017082737 558814933 /nfs/dbraw/zinc/81/49/33/558814933.db2.gz PTRJMCKUSANAHZ-LBPRGKRZSA-N 1 2 403.552 2.567 50 0 HFAALO CCn1ncc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1C ZINC000017082737 558814935 /nfs/dbraw/zinc/81/49/35/558814935.db2.gz PTRJMCKUSANAHZ-LBPRGKRZSA-N 1 2 403.552 2.567 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 ZINC000039387724 558820721 /nfs/dbraw/zinc/82/07/21/558820721.db2.gz HGGVPCWNVXRXAF-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3cc(OC)cc(OC)c3)[C@H](CCO)C2)cc1 ZINC000039387724 558820723 /nfs/dbraw/zinc/82/07/23/558820723.db2.gz HGGVPCWNVXRXAF-HXUWFJFHSA-N 1 2 400.519 2.781 50 0 HFAALO CCOc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2=O)cc1 ZINC000018250483 558834740 /nfs/dbraw/zinc/83/47/40/558834740.db2.gz IVTQBWBBHGTGCZ-FQEVSTJZSA-N 1 2 409.486 2.548 50 0 HFAALO CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000054360501 558867605 /nfs/dbraw/zinc/86/76/05/558867605.db2.gz YZBXIWVRPZDKCR-INIZCTEOSA-N 1 2 419.503 2.699 50 0 HFAALO CN1c2ccccc2[C@@]2(N=C(Nc3ccc(Oc4ccccc4)cc3)NC(=[NH2+])N2)C1=O ZINC000019325373 558867806 /nfs/dbraw/zinc/86/78/06/558867806.db2.gz DJUBDMLQMNCHTE-HSZRJFAPSA-N 1 2 412.453 2.994 50 0 HFAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)N(C)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000033088056 558869875 /nfs/dbraw/zinc/86/98/75/558869875.db2.gz GQSIMDWNQPHCES-UHFFFAOYSA-N 1 2 405.498 2.882 50 0 HFAALO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2nccs2)C1)c1cccc2cccnc21 ZINC000055183092 558875368 /nfs/dbraw/zinc/87/53/68/558875368.db2.gz WVPCCAKIWKWNMR-OAHLLOKOSA-N 1 2 402.545 2.882 50 0 HFAALO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2nccs2)C1)c1cccc2cccnc21 ZINC000055183092 558875370 /nfs/dbraw/zinc/87/53/70/558875370.db2.gz WVPCCAKIWKWNMR-OAHLLOKOSA-N 1 2 402.545 2.882 50 0 HFAALO O=C(Cc1csc(Cc2ccccn2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000058101253 558898915 /nfs/dbraw/zinc/89/89/15/558898915.db2.gz BWINLUOYSDGPON-UHFFFAOYSA-N 1 2 422.554 2.895 50 0 HFAALO C[C@H](C(N)=O)[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748533 558908704 /nfs/dbraw/zinc/90/87/04/558908704.db2.gz LZEJKNONKKTVFW-CQSZACIVSA-N 1 2 405.930 2.700 50 0 HFAALO C[C@H](C(N)=O)[N@@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748533 558908706 /nfs/dbraw/zinc/90/87/06/558908706.db2.gz LZEJKNONKKTVFW-CQSZACIVSA-N 1 2 405.930 2.700 50 0 HFAALO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000019539373 558914152 /nfs/dbraw/zinc/91/41/52/558914152.db2.gz YRZXOFZKTREFJL-GOSISDBHSA-N 1 2 412.509 2.601 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)c(OC)c1 ZINC000019552377 558915737 /nfs/dbraw/zinc/91/57/37/558915737.db2.gz CISXEBKXYGTLOL-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1ccc(C(=O)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000019553128 558916354 /nfs/dbraw/zinc/91/63/54/558916354.db2.gz PZGHQEJFLVKCGI-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000058300350 558917611 /nfs/dbraw/zinc/91/76/11/558917611.db2.gz WIBWSQKODSOBKL-JOCHJYFZSA-N 1 2 411.502 2.986 50 0 HFAALO C[N@@H+]1CCO[C@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000058412346 558925102 /nfs/dbraw/zinc/92/51/02/558925102.db2.gz ZCZPEUUCJQFIAR-OAHLLOKOSA-N 1 2 406.280 2.697 50 0 HFAALO C[N@H+]1CCO[C@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000058412346 558925103 /nfs/dbraw/zinc/92/51/03/558925103.db2.gz ZCZPEUUCJQFIAR-OAHLLOKOSA-N 1 2 406.280 2.697 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccoc1 ZINC000072152493 558929770 /nfs/dbraw/zinc/92/97/70/558929770.db2.gz GEQJYAWLNWVOLT-QFIPXVFZSA-N 1 2 403.482 2.954 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccoc1 ZINC000072152493 558929771 /nfs/dbraw/zinc/92/97/71/558929771.db2.gz GEQJYAWLNWVOLT-QFIPXVFZSA-N 1 2 403.482 2.954 50 0 HFAALO COc1cn(C)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1=O ZINC000072403059 558958346 /nfs/dbraw/zinc/95/83/46/558958346.db2.gz YKXLOCPEJLJUNW-UHFFFAOYSA-N 1 2 417.509 2.941 50 0 HFAALO COc1ccccc1NC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(C)[nH+]2)CC1 ZINC000065362889 558973709 /nfs/dbraw/zinc/97/37/09/558973709.db2.gz ZWXYZAQSEMLTPQ-UHFFFAOYSA-N 1 2 421.505 2.950 50 0 HFAALO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000072438043 558981496 /nfs/dbraw/zinc/98/14/96/558981496.db2.gz HNUOIGPWOACQBZ-UHFFFAOYSA-N 1 2 424.505 2.592 50 0 HFAALO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000072438043 558981499 /nfs/dbraw/zinc/98/14/99/558981499.db2.gz HNUOIGPWOACQBZ-UHFFFAOYSA-N 1 2 424.505 2.592 50 0 HFAALO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000022025270 558985044 /nfs/dbraw/zinc/98/50/44/558985044.db2.gz NBESLJFJBJGJFW-MRXNPFEDSA-N 1 2 415.921 2.891 50 0 HFAALO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022025270 558985045 /nfs/dbraw/zinc/98/50/45/558985045.db2.gz NBESLJFJBJGJFW-MRXNPFEDSA-N 1 2 415.921 2.891 50 0 HFAALO O=C(NCC[NH+]1CCOCC1)c1cccc(-c2ccc(NCc3ccccc3)nn2)c1 ZINC000033272233 559033626 /nfs/dbraw/zinc/03/36/26/559033626.db2.gz VJVQIIIITIFVSB-UHFFFAOYSA-N 1 2 417.513 2.818 50 0 HFAALO O=C1C[C@H]([NH+]2CCC(Nc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1F ZINC000100210002 559131900 /nfs/dbraw/zinc/13/19/00/559131900.db2.gz FLSGHTFDKLSSET-SFHVURJKSA-N 1 2 411.433 2.763 50 0 HFAALO O=c1[nH]c(=O)n(-c2ccccc2Cl)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100758513 559264457 /nfs/dbraw/zinc/26/44/57/559264457.db2.gz IWVPSWPFEBJCCP-GOSISDBHSA-N 1 2 408.845 2.601 50 0 biogenic HFAALO CC[C@@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)C(=O)N(C)C ZINC000426490307 559271814 /nfs/dbraw/zinc/27/18/14/559271814.db2.gz MNRJKSIFAFIVKL-QGZVFWFLSA-N 1 2 404.536 2.508 50 0 HFAALO CC[C@@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)C(=O)N(C)C ZINC000426490307 559271816 /nfs/dbraw/zinc/27/18/16/559271816.db2.gz MNRJKSIFAFIVKL-QGZVFWFLSA-N 1 2 404.536 2.508 50 0 HFAALO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000104198329 560849608 /nfs/dbraw/zinc/84/96/08/560849608.db2.gz IXLKLBJMTHNSJV-FGTMMUONSA-N 1 2 420.985 2.789 50 0 HFAALO COC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000048006756 568431730 /nfs/dbraw/zinc/43/17/30/568431730.db2.gz AVHMPUMBVACARU-UHFFFAOYSA-N 1 2 401.438 2.971 50 0 HFAALO O=C(NCc1cccc(Cl)c1)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000049411298 568450000 /nfs/dbraw/zinc/45/00/00/568450000.db2.gz OUIFZQXNOBMJKV-UHFFFAOYSA-N 1 2 414.922 2.799 50 0 HFAALO COc1cccc2cc(-c3ccc(OCC(=O)NCCc4c[nH+]c[nH]4)cc3)c(=O)oc21 ZINC000012296458 568462634 /nfs/dbraw/zinc/46/26/34/568462634.db2.gz XEFBQOKNJSOJHJ-UHFFFAOYSA-N 1 2 419.437 2.929 50 0 biogenic HFAALO COc1cccc2cc(-c3ccc(OCC(=O)NCCc4c[nH]c[nH+]4)cc3)c(=O)oc21 ZINC000012296458 568462636 /nfs/dbraw/zinc/46/26/36/568462636.db2.gz XEFBQOKNJSOJHJ-UHFFFAOYSA-N 1 2 419.437 2.929 50 0 biogenic HFAALO COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604403879 568492157 /nfs/dbraw/zinc/49/21/57/568492157.db2.gz BJUXYJGODRGQTO-SFHVURJKSA-N 1 2 411.458 2.532 50 0 biogenic HFAALO COC(=O)C[C@@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604403879 568492158 /nfs/dbraw/zinc/49/21/58/568492158.db2.gz BJUXYJGODRGQTO-SFHVURJKSA-N 1 2 411.458 2.532 50 0 biogenic HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCSCC1 ZINC000014979289 568549027 /nfs/dbraw/zinc/54/90/27/568549027.db2.gz KPDWXZUYUQLZSX-OAQYLSRUSA-N 1 2 409.555 2.620 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCSCC1 ZINC000014979289 568549028 /nfs/dbraw/zinc/54/90/28/568549028.db2.gz KPDWXZUYUQLZSX-OAQYLSRUSA-N 1 2 409.555 2.620 50 0 HFAALO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCC[NH+]1CCOCC1 ZINC000020182275 568593344 /nfs/dbraw/zinc/59/33/44/568593344.db2.gz CDSGCOPWGVTIPQ-UHFFFAOYSA-N 1 2 422.529 2.670 50 0 HFAALO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287795 568597259 /nfs/dbraw/zinc/59/72/59/568597259.db2.gz HXKRCKUYYYXNJY-QRWLVFNGSA-N 1 2 403.548 2.872 50 0 HFAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288098 568597489 /nfs/dbraw/zinc/59/74/89/568597489.db2.gz XVUWCRFDRLHWEL-MGPUTAFESA-N 1 2 401.532 2.974 50 0 HFAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccn2)N1CCC[NH+]1CCOCC1 ZINC000020308120 568598114 /nfs/dbraw/zinc/59/81/14/568598114.db2.gz OETQWCCGONCNCX-HXUWFJFHSA-N 1 2 423.444 2.595 50 0 HFAALO COc1cc(C[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc2c1OCCO2 ZINC000095450122 568613995 /nfs/dbraw/zinc/61/39/95/568613995.db2.gz WWZLPQCCHKYRCO-CYBMUJFWSA-N 1 2 400.439 2.512 50 0 HFAALO Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000095463350 568621958 /nfs/dbraw/zinc/62/19/58/568621958.db2.gz MHACEWRCXUWAPY-HNNXBMFYSA-N 1 2 416.909 2.837 50 0 HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2cccc(Cl)c2)CC1 ZINC000020730327 568640933 /nfs/dbraw/zinc/64/09/33/568640933.db2.gz PMPCIFMLUXCVAK-UHFFFAOYSA-N 1 2 424.998 2.682 50 0 HFAALO COc1cc(C)c(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000225695146 568665091 /nfs/dbraw/zinc/66/50/91/568665091.db2.gz HDMCTFZEGWECOH-SFHVURJKSA-N 1 2 417.531 2.563 50 0 HFAALO O=C(NCCn1ccccc1=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000095965230 568670784 /nfs/dbraw/zinc/67/07/84/568670784.db2.gz YCZUVMGJDHRZSQ-SFHVURJKSA-N 1 2 404.308 2.564 50 0 HFAALO C[C@]1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC(c2ccccc2Cl)=NO1 ZINC000225798599 568675621 /nfs/dbraw/zinc/67/56/21/568675621.db2.gz GQWYGNKEHPNCIQ-OAQYLSRUSA-N 1 2 414.893 2.771 50 0 HFAALO Cc1[nH+]c2n(c1CN1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)CCCC2 ZINC000095993308 568678110 /nfs/dbraw/zinc/67/81/10/568678110.db2.gz BHEDLKPGWUSBKB-UHFFFAOYSA-N 1 2 414.984 2.749 50 0 HFAALO CCOC(=O)CC[N@H+](CC(=O)Nc1sccc1C(=O)OCC)Cc1cccnc1 ZINC000096007148 568683231 /nfs/dbraw/zinc/68/32/31/568683231.db2.gz UCEQLYFRPOLXIL-UHFFFAOYSA-N 1 2 419.503 2.714 50 0 HFAALO CCOC(=O)CC[N@@H+](CC(=O)Nc1sccc1C(=O)OCC)Cc1cccnc1 ZINC000096007148 568683233 /nfs/dbraw/zinc/68/32/33/568683233.db2.gz UCEQLYFRPOLXIL-UHFFFAOYSA-N 1 2 419.503 2.714 50 0 HFAALO Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000096027803 568687048 /nfs/dbraw/zinc/68/70/48/568687048.db2.gz YBSDNYBRXDRBOQ-UHFFFAOYSA-N 1 2 401.532 2.800 50 0 HFAALO O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096114364 568693947 /nfs/dbraw/zinc/69/39/47/568693947.db2.gz UQORLWXSNCONMX-IBGZPJMESA-N 1 2 419.485 2.533 50 0 biogenic HFAALO O=C(NCc1cccs1)C(=O)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000021526210 568709410 /nfs/dbraw/zinc/70/94/10/568709410.db2.gz CGMBYGWBGFAMLW-OAQYLSRUSA-N 1 2 420.538 2.675 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000021526210 568709411 /nfs/dbraw/zinc/70/94/11/568709411.db2.gz CGMBYGWBGFAMLW-OAQYLSRUSA-N 1 2 420.538 2.675 50 0 HFAALO CCCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NC(=O)C(C)C)ccc21 ZINC000096276400 568715408 /nfs/dbraw/zinc/71/54/08/568715408.db2.gz QGFCQSDUADLRHK-UHFFFAOYSA-N 1 2 400.523 2.708 50 0 HFAALO O=C(c1ccno1)N(CCC[NH+]1CCOCC1)c1nc2c(cc(F)cc2F)s1 ZINC000012443830 568725024 /nfs/dbraw/zinc/72/50/24/568725024.db2.gz MDUHNUTYXYUWLZ-UHFFFAOYSA-N 1 2 408.430 2.932 50 0 HFAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)N2CC[NH+](CC)CC2)cc1 ZINC000022468476 568768376 /nfs/dbraw/zinc/76/83/76/568768376.db2.gz AIQPVKIOTAQADZ-QGZVFWFLSA-N 1 2 401.536 2.930 50 0 HFAALO COC(=O)[C@@H]1C[C@H](C(=O)N(C)Cc2ccccn2)[C@H](c2cccc(Cl)c2)[N@@H+]1C ZINC000055568637 568779612 /nfs/dbraw/zinc/77/96/12/568779612.db2.gz USSRWAZXEGYWOR-FHWLQOOXSA-N 1 2 401.894 2.928 50 0 HFAALO COC(=O)[C@@H]1C[C@H](C(=O)N(C)Cc2ccccn2)[C@H](c2cccc(Cl)c2)[N@H+]1C ZINC000055568637 568779613 /nfs/dbraw/zinc/77/96/13/568779613.db2.gz USSRWAZXEGYWOR-FHWLQOOXSA-N 1 2 401.894 2.928 50 0 HFAALO Cc1ccnc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)n1 ZINC000056906845 568821070 /nfs/dbraw/zinc/82/10/70/568821070.db2.gz XHLCDUUCQJIHGM-UHFFFAOYSA-N 1 2 405.462 2.716 50 0 HFAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000057331773 568827063 /nfs/dbraw/zinc/82/70/63/568827063.db2.gz LMHQRPCTJNQQRP-UHFFFAOYSA-N 1 2 422.558 2.615 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)c1ccc(F)cc1 ZINC000012535397 568845217 /nfs/dbraw/zinc/84/52/17/568845217.db2.gz GBFALXFKNCLTFH-FQEVSTJZSA-N 1 2 417.444 2.735 50 0 HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2nc(-c3ccc(OC)cc3O)cs2)CC1 ZINC000012618712 568872354 /nfs/dbraw/zinc/87/23/54/568872354.db2.gz WQJGYWJZCQXGLX-UHFFFAOYSA-N 1 2 419.503 2.738 50 0 HFAALO O=C(C[NH+]1CCC(C(=O)N2CCOCC2)CC1)Nc1ccccc1SC(F)F ZINC000012824644 569007892 /nfs/dbraw/zinc/00/78/92/569007892.db2.gz UVUOAKXRJKDKEK-UHFFFAOYSA-N 1 2 413.490 2.511 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1 ZINC000104366084 569008466 /nfs/dbraw/zinc/00/84/66/569008466.db2.gz RYFBGOFBCRHDAM-GOSISDBHSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3cnc(N(C)C)s3)C[C@H]2CCO)cc1 ZINC000104366084 569008467 /nfs/dbraw/zinc/00/84/67/569008467.db2.gz RYFBGOFBCRHDAM-GOSISDBHSA-N 1 2 404.580 2.677 50 0 HFAALO O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000035279553 569017004 /nfs/dbraw/zinc/01/70/04/569017004.db2.gz DNCYBHJSPAVOHI-UHFFFAOYSA-N 1 2 416.543 2.787 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000022914817 569031781 /nfs/dbraw/zinc/03/17/81/569031781.db2.gz KBDWVUDITUAEON-VAMGGRTRSA-N 1 2 400.567 2.729 50 0 HFAALO O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000035406237 569035877 /nfs/dbraw/zinc/03/58/77/569035877.db2.gz LQPAHHGDDHIRAA-UHFFFAOYSA-N 1 2 404.470 2.713 50 0 HFAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000035590436 569045406 /nfs/dbraw/zinc/04/54/06/569045406.db2.gz FBXJCSVTQUWISF-OKILXGFUSA-N 1 2 414.897 2.523 50 0 HFAALO Cc1ccc(SCCNC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccccc2C)cc1 ZINC000426412868 569072812 /nfs/dbraw/zinc/07/28/12/569072812.db2.gz ZTEBKIWZXRQJFQ-NRFANRHFSA-N 1 2 411.571 2.902 50 0 HFAALO Cc1ccc(SCCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000426412868 569072813 /nfs/dbraw/zinc/07/28/13/569072813.db2.gz ZTEBKIWZXRQJFQ-NRFANRHFSA-N 1 2 411.571 2.902 50 0 HFAALO C[C@H](c1nc(-c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)no1)c1ccccc1 ZINC000064761090 569091208 /nfs/dbraw/zinc/09/12/08/569091208.db2.gz QJPICOFKVCHAQV-INIZCTEOSA-N 1 2 404.474 2.965 50 0 HFAALO COc1ccc(CNC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCCC2)c(OC)c1 ZINC000064761558 569091306 /nfs/dbraw/zinc/09/13/06/569091306.db2.gz JPZRUMYKDFGHBX-UHFFFAOYSA-N 1 2 424.505 2.540 50 0 HFAALO O=C(NCCc1ccccc1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000036252873 569119740 /nfs/dbraw/zinc/11/97/40/569119740.db2.gz SPUZCZVHWLROSR-QFIPXVFZSA-N 1 2 409.530 2.955 50 0 HFAALO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000019372603 569124641 /nfs/dbraw/zinc/12/46/41/569124641.db2.gz LAWQPMDPTDMMJH-OAQYLSRUSA-N 1 2 411.933 2.828 50 0 HFAALO O=C1C[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000019372603 569124642 /nfs/dbraw/zinc/12/46/42/569124642.db2.gz LAWQPMDPTDMMJH-OAQYLSRUSA-N 1 2 411.933 2.828 50 0 HFAALO COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000169681398 569127345 /nfs/dbraw/zinc/12/73/45/569127345.db2.gz PTKZVOVYTQPIKW-KRWDZBQOSA-N 1 2 409.534 2.926 50 0 HFAALO COc1ccc(CC[N@H+](C)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)cc1OC ZINC000036390400 569165390 /nfs/dbraw/zinc/16/53/90/569165390.db2.gz JGWMQHPYHIRAPM-HZPDHXFCSA-N 1 2 403.523 2.882 50 0 HFAALO COc1ccc(CC[N@@H+](C)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)cc1OC ZINC000036390400 569165391 /nfs/dbraw/zinc/16/53/91/569165391.db2.gz JGWMQHPYHIRAPM-HZPDHXFCSA-N 1 2 403.523 2.882 50 0 HFAALO O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065085046 569173608 /nfs/dbraw/zinc/17/36/08/569173608.db2.gz BDUMKAUSWORVTF-UHFFFAOYSA-N 1 2 413.524 2.938 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cn(C)c4ncccc34)CC2)cc1C ZINC000065164726 569189432 /nfs/dbraw/zinc/18/94/32/569189432.db2.gz VFWANMCENHCFDS-UHFFFAOYSA-N 1 2 412.559 2.739 50 0 HFAALO COc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700380 569222791 /nfs/dbraw/zinc/22/27/91/569222791.db2.gz AAGXNTKPYKSNDU-NRFANRHFSA-N 1 2 404.532 2.827 50 0 HFAALO COc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700380 569222792 /nfs/dbraw/zinc/22/27/92/569222792.db2.gz AAGXNTKPYKSNDU-NRFANRHFSA-N 1 2 404.532 2.827 50 0 HFAALO CC(C)(CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000036866313 569230674 /nfs/dbraw/zinc/23/06/74/569230674.db2.gz BTXRODBVQAIOIS-NRFANRHFSA-N 1 2 409.530 2.775 50 0 HFAALO O=C(C[NH+]1CCN(c2cc(F)cc(F)c2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000065607780 569237553 /nfs/dbraw/zinc/23/75/53/569237553.db2.gz KZUPXBRCVCCFPV-GOSISDBHSA-N 1 2 414.500 2.730 50 0 HFAALO CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000170620960 569248847 /nfs/dbraw/zinc/24/88/47/569248847.db2.gz KPQWXFLREZJHII-SFHVURJKSA-N 1 2 411.502 2.959 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000170651039 569292384 /nfs/dbraw/zinc/29/23/84/569292384.db2.gz MTTUJAIRHOYORN-JMGYQRAPSA-N 1 2 401.532 2.805 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000170651039 569292385 /nfs/dbraw/zinc/29/23/85/569292385.db2.gz MTTUJAIRHOYORN-JMGYQRAPSA-N 1 2 401.532 2.805 50 0 HFAALO CC(=O)N1CCc2cc(C(=O)N(Cc3ccccc3)[C@H](C)C[NH+]3CCOCC3)ccc21 ZINC000078743494 569420256 /nfs/dbraw/zinc/42/02/56/569420256.db2.gz MECGBBLBRMKMBX-LJQANCHMSA-N 1 2 421.541 2.959 50 0 HFAALO Cc1cnn(-c2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2F)c1 ZINC000079098301 569427330 /nfs/dbraw/zinc/42/73/30/569427330.db2.gz UACRPTGTAHNFAT-OAQYLSRUSA-N 1 2 414.506 2.997 50 0 HFAALO Cc1cnn(-c2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2F)c1 ZINC000079098301 569427332 /nfs/dbraw/zinc/42/73/32/569427332.db2.gz UACRPTGTAHNFAT-OAQYLSRUSA-N 1 2 414.506 2.997 50 0 HFAALO Cn1ccnc1SCC(=O)Nc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1 ZINC000008778695 571118475 /nfs/dbraw/zinc/11/84/75/571118475.db2.gz LFEHDZLYTXPZQE-UHFFFAOYSA-N 1 2 420.498 2.729 50 0 HFAALO CS(=O)(=O)c1ccc(CCC(=O)NC[C@@H](c2ccoc2)[NH+]2CCSCC2)cc1 ZINC000245020859 571212176 /nfs/dbraw/zinc/21/21/76/571212176.db2.gz MKQNODNVTFCLSE-IBGZPJMESA-N 1 2 422.572 2.522 50 0 HFAALO COc1ccc(NC(=O)COc2coc(C[NH+]3CCSCC3)cc2=O)cc1Cl ZINC000040267132 571214038 /nfs/dbraw/zinc/21/40/38/571214038.db2.gz YWIQFISGUNHISR-UHFFFAOYSA-N 1 2 424.906 2.868 50 0 HFAALO CCC[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000009154242 571231587 /nfs/dbraw/zinc/23/15/87/571231587.db2.gz QIKWMBVZHLNAFG-INIZCTEOSA-N 1 2 415.515 2.839 50 0 HFAALO CCC[N@H+](Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000009154242 571231588 /nfs/dbraw/zinc/23/15/88/571231588.db2.gz QIKWMBVZHLNAFG-INIZCTEOSA-N 1 2 415.515 2.839 50 0 HFAALO CC1CC[NH+](CN2c3ccccc3[C@@](O)(CC(=O)c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000021573282 571314947 /nfs/dbraw/zinc/31/49/47/571314947.db2.gz JYWCPBXURUHIHW-DEOSSOPVSA-N 1 2 422.481 2.912 50 0 HFAALO CCCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2cccc(C)c2)CC1 ZINC000006833015 132318336 /nfs/dbraw/zinc/31/83/36/132318336.db2.gz NRIGMXOYGLHTRS-UHFFFAOYSA-N 1 2 402.564 2.854 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1cc(C)ccc1C ZINC000006832978 132318345 /nfs/dbraw/zinc/31/83/45/132318345.db2.gz OFYCYTFQVFFQKN-UHFFFAOYSA-N 1 2 402.564 2.637 50 0 HFAALO O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008185193 132328328 /nfs/dbraw/zinc/32/83/28/132328328.db2.gz GEPXUTDGUNEXDG-LJQANCHMSA-N 1 2 400.482 2.937 50 0 HFAALO 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RNLYUYWZMJTODA-LEWJYISDSA-N 1 2 404.576 2.652 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)N[C@@H]1CCCc2ccccc21 ZINC000022805683 526774632 /nfs/dbraw/zinc/77/46/32/526774632.db2.gz QPNHISOARCQYBO-HSZRJFAPSA-N 1 2 405.542 2.933 50 0 HFAALO Cn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000032738007 527159905 /nfs/dbraw/zinc/15/99/05/527159905.db2.gz UKBGOXMEZRYBDQ-UHFFFAOYSA-N 1 2 419.485 2.606 50 0 HFAALO CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000034675421 557363677 /nfs/dbraw/zinc/36/36/77/557363677.db2.gz NYJNOUBTNNFUBE-UHFFFAOYSA-N 1 2 409.530 2.621 50 0 HFAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC000004988092 557621698 /nfs/dbraw/zinc/62/16/98/557621698.db2.gz OTNQYEDDFJUWEP-GFCCVEGCSA-N 1 2 419.259 2.781 50 0 HFAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(I)c(O)c(OC)c2)C1 ZINC000004988092 557621701 /nfs/dbraw/zinc/62/17/01/557621701.db2.gz OTNQYEDDFJUWEP-GFCCVEGCSA-N 1 2 419.259 2.781 50 0 HFAALO O=c1oc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2n1C[NH+]1CCCCC1 ZINC000003028179 557782802 /nfs/dbraw/zinc/78/28/02/557782802.db2.gz JBWWDKHSXCPTSZ-UHFFFAOYSA-N 1 2 405.451 2.978 50 0 HFAALO COc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3cc(C)on3)sc2c1 ZINC000022768255 557818346 /nfs/dbraw/zinc/81/83/46/557818346.db2.gz GBGLDYXYHZRNNI-UHFFFAOYSA-N 1 2 416.503 2.970 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000022784645 557820109 /nfs/dbraw/zinc/82/01/09/557820109.db2.gz ASXLSGVOGVXAGL-UHFFFAOYSA-N 1 2 406.530 2.532 50 0 HFAALO CC(C)CCn1c(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)C(C)C ZINC000011663730 558267396 /nfs/dbraw/zinc/26/73/96/558267396.db2.gz KFEYPUIIULSUOH-KRWDZBQOSA-N 1 2 412.600 2.600 50 0 HFAALO CC(C)CCn1c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cnc1S(=O)(=O)C(C)C ZINC000011663730 558267398 /nfs/dbraw/zinc/26/73/98/558267398.db2.gz KFEYPUIIULSUOH-KRWDZBQOSA-N 1 2 412.600 2.600 50 0 HFAALO Cc1cc(=O)c(C(=O)NCC2([NH+]3CCOCC3)CCCC2)c(CC2CCCC2)n1C ZINC000019883947 558301853 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HFAALO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)n[nH]1 ZINC000012302843 558372459 /nfs/dbraw/zinc/37/24/59/558372459.db2.gz PTBQHJJRRRGYBQ-INIZCTEOSA-N 1 2 400.527 2.617 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@@H+]2CCC[C@H](CCCO)C2)n1Cc1ccccc1 ZINC000012313765 558377205 /nfs/dbraw/zinc/37/72/05/558377205.db2.gz QFAPTRFVPOYMGE-GOSISDBHSA-N 1 2 405.564 2.710 50 0 HFAALO CCS(=O)(=O)c1ncc(C[N@H+]2CCC[C@H](CCCO)C2)n1Cc1ccccc1 ZINC000012313765 558377208 /nfs/dbraw/zinc/37/72/08/558377208.db2.gz QFAPTRFVPOYMGE-GOSISDBHSA-N 1 2 405.564 2.710 50 0 HFAALO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000020914705 558422609 /nfs/dbraw/zinc/42/26/09/558422609.db2.gz OYBFPPRSHCRIIY-OAQYLSRUSA-N 1 2 419.569 2.997 50 0 HFAALO CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021486565 558439514 /nfs/dbraw/zinc/43/95/14/558439514.db2.gz ONWOTBQZFJVZJA-UHFFFAOYSA-N 1 2 415.559 2.675 50 0 HFAALO CCOC(=O)c1ccc(NC(=O)c2ccc(SCC[NH+]3CCOCC3)nc2)cc1 ZINC000021663547 558445192 /nfs/dbraw/zinc/44/51/92/558445192.db2.gz ZUFLXFRJYDVPPS-UHFFFAOYSA-N 1 2 415.515 2.935 50 0 HFAALO Brc1cc2c(cc1CN1CC[NH+](Cc3ccccn3)CC1)OCCO2 ZINC000021841414 558451924 /nfs/dbraw/zinc/45/19/24/558451924.db2.gz UPDDPRQZGJVVAA-UHFFFAOYSA-N 1 2 404.308 2.933 50 0 HFAALO COC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012754160 558459608 /nfs/dbraw/zinc/45/96/08/558459608.db2.gz QOWLULJVCGUEMN-QHCPKHFHSA-N 1 2 421.541 2.682 50 0 HFAALO COC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012754160 558459612 /nfs/dbraw/zinc/45/96/12/558459612.db2.gz QOWLULJVCGUEMN-QHCPKHFHSA-N 1 2 421.541 2.682 50 0 HFAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000022357634 558483114 /nfs/dbraw/zinc/48/31/14/558483114.db2.gz BNPJHMGVGZVBKK-UHFFFAOYSA-N 1 2 407.428 2.709 50 0 HFAALO CC(=O)N1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000012987918 558496110 /nfs/dbraw/zinc/49/61/10/558496110.db2.gz IYFXMDSEFIMWIE-GOSISDBHSA-N 1 2 422.529 2.670 50 0 HFAALO CC(=O)N1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000012987918 558496113 /nfs/dbraw/zinc/49/61/13/558496113.db2.gz IYFXMDSEFIMWIE-GOSISDBHSA-N 1 2 422.529 2.670 50 0 HFAALO Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCN(c3ccccc3C)CC2)c(C)c1 ZINC000013061316 558509680 /nfs/dbraw/zinc/50/96/80/558509680.db2.gz QOBRHAQXVIFGLV-UHFFFAOYSA-N 1 2 408.546 2.797 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1F ZINC000022788363 558511626 /nfs/dbraw/zinc/51/16/26/558511626.db2.gz OJTKQKABONUZNE-HNNXBMFYSA-N 1 2 415.465 2.708 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3OC)CC2)c1 ZINC000022790194 558511794 /nfs/dbraw/zinc/51/17/94/558511794.db2.gz PGBDEKIAZQFYDN-KRWDZBQOSA-N 1 2 413.518 2.857 50 0 HFAALO CC(C)NC(=O)C[NH+]1CCN(Cn2nc(Nc3ccc(F)cc3)sc2=S)CC1 ZINC000022834501 558515795 /nfs/dbraw/zinc/51/57/95/558515795.db2.gz IVGSBXUMSYWEHU-UHFFFAOYSA-N 1 2 424.571 2.656 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000022930870 558524172 /nfs/dbraw/zinc/52/41/72/558524172.db2.gz SKRMGAKPBZQYJE-QNBZTBGESA-N 1 2 405.498 2.658 50 0 HFAALO C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC(=O)Nc3cc(Cl)ccc3F)CC2)C1 ZINC000022932798 558525084 /nfs/dbraw/zinc/52/50/84/558525084.db2.gz LMOAUXNFNPXDEA-IYBDPMFKSA-N 1 2 424.948 2.540 50 0 HFAALO O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023243947 558545463 /nfs/dbraw/zinc/54/54/63/558545463.db2.gz IQCSVRPPTKUYJX-UHFFFAOYSA-N 1 2 412.497 2.833 50 0 HFAALO COc1cc(C)c(C[NH+]2CCN(C(=O)CSc3ccccn3)CC2)cc1OC ZINC000023296473 558548327 /nfs/dbraw/zinc/54/83/27/558548327.db2.gz KXRAEZWOPQYRAK-UHFFFAOYSA-N 1 2 401.532 2.844 50 0 HFAALO O=C(COc1ccc(Br)cc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023955961 558582385 /nfs/dbraw/zinc/58/23/85/558582385.db2.gz RBGCBOZUOUNUJP-UHFFFAOYSA-N 1 2 419.319 2.977 50 0 HFAALO NC(=O)Cn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2ccccc2c1=O ZINC000014125547 558623053 /nfs/dbraw/zinc/62/30/53/558623053.db2.gz GVGVRYNAEDWQCU-NRFANRHFSA-N 1 2 404.495 2.823 50 0 HFAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 ZINC000025139716 558632558 /nfs/dbraw/zinc/63/25/58/558632558.db2.gz COIYVBTYHADZFM-UHFFFAOYSA-N 1 2 420.488 2.946 50 0 HFAALO CC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)[NH+]1CCOCC1 ZINC000025572724 558644138 /nfs/dbraw/zinc/64/41/38/558644138.db2.gz JZGULXLYBHTVEP-UHFFFAOYSA-N 1 2 405.502 2.775 50 0 HFAALO C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000026464848 558661653 /nfs/dbraw/zinc/66/16/53/558661653.db2.gz OVSWOSZUUNCXRY-BLLLJJGKSA-N 1 2 400.306 2.644 50 0 HFAALO C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000026464848 558661655 /nfs/dbraw/zinc/66/16/55/558661655.db2.gz OVSWOSZUUNCXRY-BLLLJJGKSA-N 1 2 400.306 2.644 50 0 HFAALO CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C[N@H+](C)CCO ZINC000014991343 558694611 /nfs/dbraw/zinc/69/46/11/558694611.db2.gz HOJIOEABCHETMF-UHFFFAOYSA-N 1 2 416.503 2.605 50 0 HFAALO CCOC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C[N@@H+](C)CCO ZINC000014991343 558694613 /nfs/dbraw/zinc/69/46/13/558694613.db2.gz HOJIOEABCHETMF-UHFFFAOYSA-N 1 2 416.503 2.605 50 0 HFAALO CSc1nc(C)c(CCC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c(=O)[nH]1 ZINC000029045547 558708812 /nfs/dbraw/zinc/70/88/12/558708812.db2.gz VTUOLBXSOROXII-MRXNPFEDSA-N 1 2 408.955 2.805 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000030537133 558732011 /nfs/dbraw/zinc/73/20/11/558732011.db2.gz RJGJBQIXTVDNCP-GGAORHGYSA-N 1 2 421.541 2.846 50 0 HFAALO CC(C)(C)c1[nH]c2ccc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)cc2[nH+]1 ZINC000030607606 558734006 /nfs/dbraw/zinc/73/40/06/558734006.db2.gz QEHOFQXTFDTUMP-SFHVURJKSA-N 1 2 404.474 2.919 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039468104 558821763 /nfs/dbraw/zinc/82/17/63/558821763.db2.gz NLAGWUMJCNEOBZ-LJQANCHMSA-N 1 2 402.466 2.632 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039468104 558821765 /nfs/dbraw/zinc/82/17/65/558821765.db2.gz NLAGWUMJCNEOBZ-LJQANCHMSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1OC ZINC000039544210 558822340 /nfs/dbraw/zinc/82/23/40/558822340.db2.gz NDZIXFTZRHNKQL-HXUWFJFHSA-N 1 2 418.509 2.920 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(OC)c1OC ZINC000039544210 558822342 /nfs/dbraw/zinc/82/23/42/558822342.db2.gz NDZIXFTZRHNKQL-HXUWFJFHSA-N 1 2 418.509 2.920 50 0 HFAALO CCCCCCOc1ccc(N2C(=O)C[C@@H](SC[C@@H]([NH3+])C(=O)OCC)C2=O)cc1 ZINC000018250338 558834816 /nfs/dbraw/zinc/83/48/16/558834816.db2.gz NOBGEUNIDGHZMI-QZTJIDSGSA-N 1 2 422.547 2.901 50 0 biogenic HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2ccc(C)cc2C)CC1 ZINC000013543545 558842544 /nfs/dbraw/zinc/84/25/44/558842544.db2.gz LEQTWGUYZRDBTJ-UHFFFAOYSA-N 1 2 418.607 2.645 50 0 HFAALO CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000058160466 558905112 /nfs/dbraw/zinc/90/51/12/558905112.db2.gz LBJXXQKWLZXPDN-UHFFFAOYSA-N 1 2 422.529 2.738 50 0 HFAALO COc1cc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000019537320 558913990 /nfs/dbraw/zinc/91/39/90/558913990.db2.gz OWMXADUBWMSRTC-UHFFFAOYSA-N 1 2 400.475 2.759 50 0 biogenic HFAALO COc1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC ZINC000019537320 558913992 /nfs/dbraw/zinc/91/39/92/558913992.db2.gz OWMXADUBWMSRTC-UHFFFAOYSA-N 1 2 400.475 2.759 50 0 biogenic HFAALO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000058328481 558919993 /nfs/dbraw/zinc/91/99/93/558919993.db2.gz XXPDXLVBYQQRIA-PGRDOPGGSA-N 1 2 409.530 2.730 50 0 HFAALO C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000058328481 558919996 /nfs/dbraw/zinc/91/99/96/558919996.db2.gz XXPDXLVBYQQRIA-PGRDOPGGSA-N 1 2 409.530 2.730 50 0 HFAALO COc1cccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 ZINC000019565297 558925152 /nfs/dbraw/zinc/92/51/52/558925152.db2.gz CDCMLGZMFAHFNP-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1cccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1OC ZINC000019567938 558927104 /nfs/dbraw/zinc/92/71/04/558927104.db2.gz WHNQIEWTRVSKDK-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO O=C(c1ncccc1O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072170475 558930543 /nfs/dbraw/zinc/93/05/43/558930543.db2.gz YRMRDAOFERASDO-GOSISDBHSA-N 1 2 400.910 2.867 50 0 HFAALO CCOc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000060377273 558942541 /nfs/dbraw/zinc/94/25/41/558942541.db2.gz HOEPCOLNCWZQNL-CQSZACIVSA-N 1 2 416.503 2.976 50 0 HFAALO CCOc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000060377273 558942544 /nfs/dbraw/zinc/94/25/44/558942544.db2.gz HOEPCOLNCWZQNL-CQSZACIVSA-N 1 2 416.503 2.976 50 0 HFAALO O=C(NCc1ccncc1)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072405890 558985205 /nfs/dbraw/zinc/98/52/05/558985205.db2.gz IKYFTKXXXVBJEI-UHFFFAOYSA-N 1 2 416.485 2.761 50 0 HFAALO COC(=O)CC[NH+]1CCN(C(=O)/C(=C\c2ccccc2OC)c2ccccc2)CC1 ZINC000097257176 559014995 /nfs/dbraw/zinc/01/49/95/559014995.db2.gz RSQLJPSWSDUIMU-UZYVYHOESA-N 1 2 408.498 2.943 50 0 HFAALO O=C(c1cccc(F)c1F)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095504565 559082912 /nfs/dbraw/zinc/08/29/12/559082912.db2.gz MASKRDKCHXPVRP-UHFFFAOYSA-N 1 2 400.429 2.614 50 0 HFAALO COc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)nc(N)[nH+]1 ZINC000095528428 559086456 /nfs/dbraw/zinc/08/64/56/559086456.db2.gz DRUXWAWSDOMKRS-UHFFFAOYSA-N 1 2 401.898 2.740 50 0 HFAALO COc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)[nH+]c(N)n1 ZINC000095528428 559086457 /nfs/dbraw/zinc/08/64/57/559086457.db2.gz DRUXWAWSDOMKRS-UHFFFAOYSA-N 1 2 401.898 2.740 50 0 HFAALO CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000096280311 559108708 /nfs/dbraw/zinc/10/87/08/559108708.db2.gz HKJPBXWWUYLBBX-NRFANRHFSA-N 1 2 421.969 2.948 50 0 HFAALO COCC(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096317052 559109775 /nfs/dbraw/zinc/10/97/75/559109775.db2.gz QVIKJGQKTCLCSE-UHFFFAOYSA-N 1 2 400.498 2.933 50 0 HFAALO COc1ccc(CN2C(=O)C[C@@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000100199357 559131790 /nfs/dbraw/zinc/13/17/90/559131790.db2.gz YZWGTBGCPUNEQU-NPOAWEEOSA-N 1 2 419.525 2.654 50 0 HFAALO C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1nc2ccccc2s1 ZINC000061717434 559292684 /nfs/dbraw/zinc/29/26/84/559292684.db2.gz BOKGATYQEBSBSA-AWEZNQCLSA-N 1 2 410.503 2.550 50 0 HFAALO COC(=O)C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000061964478 560563713 /nfs/dbraw/zinc/56/37/13/560563713.db2.gz HQEZDJIMTGHVPK-HXUWFJFHSA-N 1 2 417.456 2.507 50 0 HFAALO CCc1[nH+]c(C2CC2)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccc(F)cc1 ZINC000104471012 560851413 /nfs/dbraw/zinc/85/14/13/560851413.db2.gz IADXZCGWUYMAPX-UHFFFAOYSA-N 1 2 418.538 2.728 50 0 HFAALO CC(C)c1noc(CCCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000046785848 560878173 /nfs/dbraw/zinc/87/81/73/560878173.db2.gz PIKACUAABTYDJV-UHFFFAOYSA-N 1 2 400.479 2.589 50 0 HFAALO Cc1cc(-c2nn(C)c(Cl)c2C[NH+]2CCN(c3ncnc(C)c3C)CC2)no1 ZINC000215225280 568460035 /nfs/dbraw/zinc/46/00/35/568460035.db2.gz HNIWEOVKASRYQF-UHFFFAOYSA-N 1 2 401.902 2.766 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000020102773 568587939 /nfs/dbraw/zinc/58/79/39/568587939.db2.gz RXPDNVFRALZPEC-UHFFFAOYSA-N 1 2 423.473 2.830 50 0 HFAALO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccncc1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308105 568598293 /nfs/dbraw/zinc/59/82/93/568598293.db2.gz XNJVTDJZYGSEAS-OAQYLSRUSA-N 1 2 419.481 2.764 50 0 HFAALO CC[C@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000040074400 568617943 /nfs/dbraw/zinc/61/79/43/568617943.db2.gz FACBSMYUPYMAIR-OAQYLSRUSA-N 1 2 400.544 2.798 50 0 HFAALO CC[C@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000040074400 568617947 /nfs/dbraw/zinc/61/79/47/568617947.db2.gz FACBSMYUPYMAIR-OAQYLSRUSA-N 1 2 400.544 2.798 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)N2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095469784 568625977 /nfs/dbraw/zinc/62/59/77/568625977.db2.gz WPQRNBAVADBAHO-UHFFFAOYSA-N 1 2 413.349 2.562 50 0 HFAALO Cc1cc(C)c(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c(C)c1 ZINC000020610876 568636969 /nfs/dbraw/zinc/63/69/69/568636969.db2.gz CPZLZYNFXAWUIN-FQEVSTJZSA-N 1 2 416.481 2.873 50 0 biogenic HFAALO Cc1coc2c1cc1c(C)c(CCC(=O)NCC[NH+]3CCOCC3)c(=O)oc1c2C ZINC000020611845 568637514 /nfs/dbraw/zinc/63/75/14/568637514.db2.gz RPGMWZAXKRWPHG-UHFFFAOYSA-N 1 2 412.486 2.845 50 0 biogenic HFAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](C)C3)cc2[nH]c1=S ZINC000020645310 568638917 /nfs/dbraw/zinc/63/89/17/568638917.db2.gz SYOYYOAAPWYTNK-HNNXBMFYSA-N 1 2 402.564 2.899 50 0 HFAALO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000225500169 568643667 /nfs/dbraw/zinc/64/36/67/568643667.db2.gz CULLLXMOUXPCQL-KRWDZBQOSA-N 1 2 407.522 2.933 50 0 HFAALO CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H](Nc2ccc(N3CCOCC3)c[nH+]2)C2CC2)C1 ZINC000225566752 568651927 /nfs/dbraw/zinc/65/19/27/568651927.db2.gz OAAZPEJPUFQNAN-QUCCMNQESA-N 1 2 418.538 2.745 50 0 HFAALO CCOc1ccc(-c2nc(C[N@H+](C[C@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 ZINC000225571694 568652484 /nfs/dbraw/zinc/65/24/84/568652484.db2.gz RGRLKYUPPHWHST-HNNXBMFYSA-N 1 2 424.588 2.969 50 0 HFAALO CCOc1ccc(-c2nc(C[N@@H+](C[C@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 ZINC000225571694 568652486 /nfs/dbraw/zinc/65/24/86/568652486.db2.gz RGRLKYUPPHWHST-HNNXBMFYSA-N 1 2 424.588 2.969 50 0 HFAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc(C(=O)N4CCCC4)cn3)CC2)c1C ZINC000095947942 568665462 /nfs/dbraw/zinc/66/54/62/568665462.db2.gz ORXCHPILSCMRTE-UHFFFAOYSA-N 1 2 421.545 2.695 50 0 HFAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096317195 568726360 /nfs/dbraw/zinc/72/63/60/568726360.db2.gz PADJWHLQUVCUHC-UHFFFAOYSA-N 1 2 402.564 2.889 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)[C@@H]3CCOC3)CC2)c1Cc1cccc(OC)c1 ZINC000096317569 568726871 /nfs/dbraw/zinc/72/68/71/568726871.db2.gz ZHQDBFXQDYZOEA-LJQANCHMSA-N 1 2 424.545 2.632 50 0 HFAALO O=C(COc1ccc2c(c1)CCC(=O)N2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000025456084 568769843 /nfs/dbraw/zinc/76/98/43/568769843.db2.gz QLZWSBNUXJGQQW-UHFFFAOYSA-N 1 2 413.905 2.948 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1cccc(OC)c1)N1CC[NH+](CC)CC1)S2 ZINC000022578115 568770283 /nfs/dbraw/zinc/77/02/83/568770283.db2.gz NWYSWDAQHOYDRP-QGZVFWFLSA-N 1 2 401.536 2.794 50 0 HFAALO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000022580442 568770648 /nfs/dbraw/zinc/77/06/48/568770648.db2.gz SKRMGAKPBZQYJE-HUPBUCHYSA-N 1 2 405.498 2.658 50 0 HFAALO COC(=O)c1ccc(COc2coc(C[NH+]3CCN(c4ccccc4)CC3)cc2=O)o1 ZINC000056949883 568821977 /nfs/dbraw/zinc/82/19/77/568821977.db2.gz QRBYMALRWVWNSW-UHFFFAOYSA-N 1 2 424.453 2.921 50 0 HFAALO COc1ccccc1N1CC[NH+](CCNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000056997301 568822421 /nfs/dbraw/zinc/82/24/21/568822421.db2.gz NZFQYPTXCALPAB-UHFFFAOYSA-N 1 2 403.910 2.666 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000056997762 568822697 /nfs/dbraw/zinc/82/26/97/568822697.db2.gz GQBCBGSEZSRCIW-UHFFFAOYSA-N 1 2 400.910 2.525 50 0 HFAALO CCCOc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000056997580 568822755 /nfs/dbraw/zinc/82/27/55/568822755.db2.gz RKPOGINFSPAWES-UHFFFAOYSA-N 1 2 421.538 2.715 50 0 HFAALO O=C(CCCn1c(=O)c2ccccc2[nH]c1=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000002972107 568831946 /nfs/dbraw/zinc/83/19/46/568831946.db2.gz LHVZXDKNUAHFKP-UHFFFAOYSA-N 1 2 409.515 2.583 50 0 HFAALO CSc1ccc(-c2noc(CN3CC[NH+](CC(=O)N4CCCCC4)CC3)n2)cc1 ZINC000057427680 568835977 /nfs/dbraw/zinc/83/59/77/568835977.db2.gz ODTPOFARIIVRLS-UHFFFAOYSA-N 1 2 415.563 2.589 50 0 HFAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000057452451 568837842 /nfs/dbraw/zinc/83/78/42/568837842.db2.gz YHCVTFVSOAEOEP-GOSISDBHSA-N 1 2 422.558 2.962 50 0 HFAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000057452451 568837844 /nfs/dbraw/zinc/83/78/44/568837844.db2.gz YHCVTFVSOAEOEP-GOSISDBHSA-N 1 2 422.558 2.962 50 0 HFAALO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OC(F)F ZINC000029850121 568838281 /nfs/dbraw/zinc/83/82/81/568838281.db2.gz LPPFHQCNEUYUHI-JTQLQIEISA-N 1 2 413.446 2.916 50 0 HFAALO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OC(F)F ZINC000029850121 568838284 /nfs/dbraw/zinc/83/82/84/568838284.db2.gz LPPFHQCNEUYUHI-JTQLQIEISA-N 1 2 413.446 2.916 50 0 HFAALO COc1cccc(C(=O)NCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012560320 568858142 /nfs/dbraw/zinc/85/81/42/568858142.db2.gz LTEIEVDRUDBCOF-LJQANCHMSA-N 1 2 412.877 2.718 50 0 HFAALO CCOc1ccccc1N1CC[NH+](CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000057830384 568862032 /nfs/dbraw/zinc/86/20/32/568862032.db2.gz YEGJCMIWCIOPRW-KRWDZBQOSA-N 1 2 411.502 2.813 50 0 HFAALO CN(C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000012581181 568864318 /nfs/dbraw/zinc/86/43/18/568864318.db2.gz CHGVXUYVKZDGBB-QGZVFWFLSA-N 1 2 415.540 2.886 50 0 HFAALO CCc1nc(SC)ncc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057996234 568873379 /nfs/dbraw/zinc/87/33/79/568873379.db2.gz RKTLXKRGMDTPIH-UHFFFAOYSA-N 1 2 419.982 2.966 50 0 HFAALO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783368 568875248 /nfs/dbraw/zinc/87/52/48/568875248.db2.gz YMGZQQWQEAWHAU-UGKGYDQZSA-N 1 2 400.482 2.620 50 0 HFAALO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783368 568875249 /nfs/dbraw/zinc/87/52/49/568875249.db2.gz YMGZQQWQEAWHAU-UGKGYDQZSA-N 1 2 400.482 2.620 50 0 HFAALO CCCSc1nc2cc(OC)c(OC)cc2c(=N)n1CCC[NH+]1CCOCC1 ZINC000004072829 568882414 /nfs/dbraw/zinc/88/24/14/568882414.db2.gz BISWIAQUGOELCK-UHFFFAOYSA-N 1 2 406.552 2.757 50 0 HFAALO CCCCn1c(SCn2nnc3ccccc3c2=O)nnc1[C@@H](CC)[NH+](C)C ZINC000003551430 568914980 /nfs/dbraw/zinc/91/49/80/568914980.db2.gz FONPQDUCCKBARO-MRXNPFEDSA-N 1 2 401.540 2.946 50 0 HFAALO O=C1C[N@H+](Cc2ccc(CO)o2)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 ZINC000014732335 568915755 /nfs/dbraw/zinc/91/57/55/568915755.db2.gz DJFGKAAAUIXDBN-QHCPKHFHSA-N 1 2 421.497 2.597 50 0 HFAALO O=C1C[N@@H+](Cc2ccc(CO)o2)C[C@H](OCc2ccccc2)CN1Cc1cccnc1 ZINC000014732335 568915756 /nfs/dbraw/zinc/91/57/56/568915756.db2.gz DJFGKAAAUIXDBN-QHCPKHFHSA-N 1 2 421.497 2.597 50 0 HFAALO CC1=C(C(N)=O)[C@@H](c2ccccc2Cl)N2NC(c3ccc(N(C)C)cc3)=[NH+]C2=N1 ZINC000004189662 568929408 /nfs/dbraw/zinc/92/94/08/568929408.db2.gz RDZVINCIWOLQHZ-GOSISDBHSA-N 1 2 408.893 2.843 50 0 HFAALO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000084372405 568948085 /nfs/dbraw/zinc/94/80/85/568948085.db2.gz WNNJNXUVTLDDFL-NHCUHLMSSA-N 1 2 422.566 2.791 50 0 HFAALO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000084372405 568948087 /nfs/dbraw/zinc/94/80/87/568948087.db2.gz WNNJNXUVTLDDFL-NHCUHLMSSA-N 1 2 422.566 2.791 50 0 HFAALO COc1ccc([C@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH+]2CCCC2)cc1 ZINC000008128765 568974915 /nfs/dbraw/zinc/97/49/15/568974915.db2.gz IASVWKAYAWCAGB-FQEVSTJZSA-N 1 2 402.516 2.666 50 0 HFAALO O=C1CCSc2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2N1 ZINC000015728400 568979248 /nfs/dbraw/zinc/97/92/48/568979248.db2.gz VKHSJUCDSZSYLE-UHFFFAOYSA-N 1 2 417.556 2.627 50 0 HFAALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000012807621 568980188 /nfs/dbraw/zinc/98/01/88/568980188.db2.gz PEGWAIKBAOGEER-OAHLLOKOSA-N 1 2 407.561 2.826 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)CC1 ZINC000015733759 568983290 /nfs/dbraw/zinc/98/32/90/568983290.db2.gz QRDOIYXSZMKMDV-UHFFFAOYSA-N 1 2 403.548 2.958 50 0 HFAALO CCOC(=O)C1CCN(C(=O)CCn2c3ccc(F)cc3c3c2CC[N@@H+](C)C3)CC1 ZINC000085393339 568985018 /nfs/dbraw/zinc/98/50/18/568985018.db2.gz IERVFRLKRZHBDV-UHFFFAOYSA-N 1 2 415.509 2.960 50 0 HFAALO CCOC(=O)C1CCN(C(=O)CCn2c3ccc(F)cc3c3c2CC[N@H+](C)C3)CC1 ZINC000085393339 568985020 /nfs/dbraw/zinc/98/50/20/568985020.db2.gz IERVFRLKRZHBDV-UHFFFAOYSA-N 1 2 415.509 2.960 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3Cl)cc2)CC1 ZINC000012816970 568989882 /nfs/dbraw/zinc/98/98/82/568989882.db2.gz XLVWUHMFRJQFIS-UHFFFAOYSA-N 1 2 421.950 2.847 50 0 HFAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324721 568991083 /nfs/dbraw/zinc/99/10/83/568991083.db2.gz CQFJHNHARLIIBK-SFHVURJKSA-N 1 2 408.458 2.793 50 0 HFAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000008324721 568991086 /nfs/dbraw/zinc/99/10/86/568991086.db2.gz CQFJHNHARLIIBK-SFHVURJKSA-N 1 2 408.458 2.793 50 0 HFAALO C[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000008345514 568994563 /nfs/dbraw/zinc/99/45/63/568994563.db2.gz MMDSZUJJMKXERA-SJLPKXTDSA-N 1 2 415.563 2.639 50 0 HFAALO O=C(CN1CCSc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015785859 569006530 /nfs/dbraw/zinc/00/65/30/569006530.db2.gz ZMDAZUQWBNDGMX-UHFFFAOYSA-N 1 2 411.527 2.672 50 0 HFAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(OC)c(O)c2)C[C@H]1CCO ZINC000107100199 569009117 /nfs/dbraw/zinc/00/91/17/569009117.db2.gz PCYQMEKSPLBSBC-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(OC)c(O)c2)C[C@H]1CCO ZINC000107100199 569009118 /nfs/dbraw/zinc/00/91/18/569009118.db2.gz PCYQMEKSPLBSBC-HXUWFJFHSA-N 1 2 400.519 2.868 50 0 HFAALO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)N1CCc2ccccc21 ZINC000012901842 569020855 /nfs/dbraw/zinc/02/08/55/569020855.db2.gz OYLSJYGAXPXWGN-UHFFFAOYSA-N 1 2 406.482 2.942 50 0 HFAALO CC(C)(CNC(=O)COc1ccccc1C(=O)Nc1ccccc1)[NH+]1CCOCC1 ZINC000012939559 569028209 /nfs/dbraw/zinc/02/82/09/569028209.db2.gz VVULTADXEFZCPT-UHFFFAOYSA-N 1 2 411.502 2.545 50 0 HFAALO CCOc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1OCC ZINC000016046949 569028286 /nfs/dbraw/zinc/02/82/86/569028286.db2.gz PUDASWFIWCQWFC-HNNXBMFYSA-N 1 2 424.501 2.530 50 0 HFAALO Cc1cccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 ZINC000035430719 569036730 /nfs/dbraw/zinc/03/67/30/569036730.db2.gz DMOHSLIDGWJYJH-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 biogenic HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=O)N2)Nc1ccc(F)c(Cl)c1 ZINC000035430781 569036797 /nfs/dbraw/zinc/03/67/97/569036797.db2.gz VVJOTOKULAWUMP-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCC[NH+]1CCOCC1 ZINC000012793649 569040396 /nfs/dbraw/zinc/04/03/96/569040396.db2.gz LDHLVMOTZMTOIA-BQYQJAHWSA-N 1 2 402.926 2.663 50 0 HFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Br)ccc1O ZINC000013006232 569049663 /nfs/dbraw/zinc/04/96/63/569049663.db2.gz SJMPHGHEQXORBV-UHFFFAOYSA-N 1 2 405.292 2.917 50 0 HFAALO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000242263275 569055062 /nfs/dbraw/zinc/05/50/62/569055062.db2.gz XXPDXLVBYQQRIA-GCJKJVERSA-N 1 2 409.530 2.730 50 0 HFAALO C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000242263275 569055063 /nfs/dbraw/zinc/05/50/63/569055063.db2.gz XXPDXLVBYQQRIA-GCJKJVERSA-N 1 2 409.530 2.730 50 0 HFAALO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000054224131 569061312 /nfs/dbraw/zinc/06/13/12/569061312.db2.gz JZOKOTQDIBZXAW-UHFFFAOYSA-N 1 2 406.439 2.934 50 0 HFAALO COc1ccc(/C=C2\SC(=O)N(CCC(=O)NCCCn3cc[nH+]c3)C2=O)cc1 ZINC000006660768 569084981 /nfs/dbraw/zinc/08/49/81/569084981.db2.gz KTCKCALJBWLXQO-LGMDPLHJSA-N 1 2 414.487 2.525 50 0 HFAALO CC[C@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036252016 569119520 /nfs/dbraw/zinc/11/95/20/569119520.db2.gz BXXRBQDHJYTRHL-UWJYYQICSA-N 1 2 401.551 2.927 50 0 HFAALO CC(C)CNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)COCc2ccccc2)CC1 ZINC000036251463 569119959 /nfs/dbraw/zinc/11/99/59/569119959.db2.gz VJTSVAPHDZGOLR-QHCPKHFHSA-N 1 2 415.578 2.678 50 0 HFAALO O=C(NCc1cccc(F)c1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000036254781 569120137 /nfs/dbraw/zinc/12/01/37/569120137.db2.gz AFZAGMGYAYGVOV-OAQYLSRUSA-N 1 2 401.526 2.945 50 0 HFAALO CC(C)CCN(C[C@@H]1C[N@H+](C[C@@H](O)COC(C)C)CCO1)C(=O)c1ccccc1 ZINC000169677110 569125175 /nfs/dbraw/zinc/12/51/75/569125175.db2.gz CKKPDCNYBMFWCQ-YADHBBJMSA-N 1 2 406.567 2.662 50 0 HFAALO CC(C)CCN(C[C@@H]1C[N@@H+](C[C@@H](O)COC(C)C)CCO1)C(=O)c1ccccc1 ZINC000169677110 569125176 /nfs/dbraw/zinc/12/51/76/569125176.db2.gz CKKPDCNYBMFWCQ-YADHBBJMSA-N 1 2 406.567 2.662 50 0 HFAALO CCC(=O)N1CC[NH+]([C@@H](C(=O)Nc2ccc(OC)c(OC)c2)C2CCCC2)CC1 ZINC000036311843 569132607 /nfs/dbraw/zinc/13/26/07/569132607.db2.gz YMIKCQRFKMJWGX-OAQYLSRUSA-N 1 2 403.523 2.755 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1ccccc1Cl)C2 ZINC000065265807 569212948 /nfs/dbraw/zinc/21/29/48/569212948.db2.gz WSRKOGJQOKPKHA-JOCHJYFZSA-N 1 2 412.921 2.994 50 0 HFAALO CCCNc1cc(N2CCC(CCC(=O)N(C)Cc3cn(C)nc3C)CC2)nc[nH+]1 ZINC000065274211 569214836 /nfs/dbraw/zinc/21/48/36/569214836.db2.gz UMZZLYAWSGJUIF-UHFFFAOYSA-N 1 2 413.570 2.996 50 0 HFAALO CCCNc1cc(N2CCC(CCC(=O)N(C)Cc3cn(C)nc3C)CC2)[nH+]cn1 ZINC000065274211 569214837 /nfs/dbraw/zinc/21/48/37/569214837.db2.gz UMZZLYAWSGJUIF-UHFFFAOYSA-N 1 2 413.570 2.996 50 0 HFAALO C[C@H]1CN(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C[C@H](C)O1 ZINC000007318322 569233400 /nfs/dbraw/zinc/23/34/00/569233400.db2.gz PHBGMMWBRDXGIO-IRXDYDNUSA-N 1 2 415.563 2.591 50 0 HFAALO C[C@@H]1[C@@H](C(=O)N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)CCN1C(=O)OC(C)(C)C ZINC000170605147 569244500 /nfs/dbraw/zinc/24/45/00/569244500.db2.gz VEGOHEUOUHPTFJ-CVEARBPZSA-N 1 2 413.522 2.857 50 0 HFAALO C[C@@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000017029293 569272096 /nfs/dbraw/zinc/27/20/96/569272096.db2.gz NUSXXRAVVHGQJG-RNODOKPDSA-N 1 2 402.454 2.568 50 0 biogenic HFAALO C[C@@H](c1ccccc1)n1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000017029293 569272098 /nfs/dbraw/zinc/27/20/98/569272098.db2.gz NUSXXRAVVHGQJG-RNODOKPDSA-N 1 2 402.454 2.568 50 0 biogenic HFAALO CC1CCN(c2nc(N3CCOCC3)[nH+]c3c2CN(C(=O)c2ccccc2)CC3)CC1 ZINC000037580676 569308141 /nfs/dbraw/zinc/30/81/41/569308141.db2.gz WTRDEHNWLLJSQE-UHFFFAOYSA-N 1 2 421.545 2.748 50 0 HFAALO Cc1cccc(N2CCN(CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000027384690 569310819 /nfs/dbraw/zinc/31/08/19/569310819.db2.gz COHKVDYQJVCCCV-UHFFFAOYSA-N 1 2 408.546 2.588 50 0 HFAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000007944426 569402178 /nfs/dbraw/zinc/40/21/78/569402178.db2.gz OIOVAWASFAQBDZ-UHFFFAOYSA-N 1 2 418.906 2.702 50 0 HFAALO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)S1 ZINC000079062479 569426444 /nfs/dbraw/zinc/42/64/44/569426444.db2.gz JEVBPTLIVVHTAM-UHFFFAOYSA-N 1 2 407.483 2.893 50 0 HFAALO CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2cccc(Cl)c2)n(C)c1=O ZINC000008706087 571103518 /nfs/dbraw/zinc/10/35/18/571103518.db2.gz XKAVOZKBRSWUIV-GFCCVEGCSA-N 1 2 400.870 2.527 50 0 HFAALO CC1=[NH+]N(Cc2ccc(Cl)cc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000008706372 571103920 /nfs/dbraw/zinc/10/39/20/571103920.db2.gz CMUUSWHELJSKAR-JTQLQIEISA-N 1 2 421.288 2.698 50 0 HFAALO O=S(=O)(CCN1CCN(Cc2cn3ccccc3[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000040033474 571141114 /nfs/dbraw/zinc/14/11/14/571141114.db2.gz XTISOZDLEADWHX-UHFFFAOYSA-N 1 2 418.950 2.579 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000040088277 571158660 /nfs/dbraw/zinc/15/86/60/571158660.db2.gz ZEQYICVRKOESHH-HNNXBMFYSA-N 1 2 414.487 2.511 50 0 HFAALO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120354 571176225 /nfs/dbraw/zinc/17/62/25/571176225.db2.gz KPOHMBJEJGLWNX-JOCHJYFZSA-N 1 2 409.505 2.833 50 0 HFAALO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120354 571176226 /nfs/dbraw/zinc/17/62/26/571176226.db2.gz KPOHMBJEJGLWNX-JOCHJYFZSA-N 1 2 409.505 2.833 50 0 HFAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040122114 571178211 /nfs/dbraw/zinc/17/82/11/571178211.db2.gz AXYAIXILSFATEB-IBGZPJMESA-N 1 2 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Cc1ccc(-c2nn(CN3CC[NH+](CC(=O)NC(C)C)CC3)c(=S)o2)cc1C ZINC000023254135 558546150 /nfs/dbraw/zinc/54/61/50/558546150.db2.gz ZGLYCTHDVBGZSE-UHFFFAOYSA-N 1 2 403.552 2.589 50 0 HFAALO Cc1cccc(C(=O)N2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000023360818 558552064 /nfs/dbraw/zinc/55/20/64/558552064.db2.gz CIBIYTYYIXWFRY-FQEVSTJZSA-N 1 2 422.529 2.541 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1OC ZINC000023374542 558554049 /nfs/dbraw/zinc/55/40/49/558554049.db2.gz NDZIXFTZRHNKQL-FQEVSTJZSA-N 1 2 418.509 2.920 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c(OC)c1OC ZINC000023374542 558554052 /nfs/dbraw/zinc/55/40/52/558554052.db2.gz NDZIXFTZRHNKQL-FQEVSTJZSA-N 1 2 418.509 2.920 50 0 HFAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000023750764 558573850 /nfs/dbraw/zinc/57/38/50/558573850.db2.gz KPGYQIZXDRVYGQ-UHFFFAOYSA-N 1 2 422.529 2.825 50 0 HFAALO C[C@@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000013814675 558595949 /nfs/dbraw/zinc/59/59/49/558595949.db2.gz GLRVOVISPDQZQJ-CQSZACIVSA-N 1 2 415.925 2.510 50 0 HFAALO C[C@@H]1CCCC[N@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000013814675 558595952 /nfs/dbraw/zinc/59/59/52/558595952.db2.gz GLRVOVISPDQZQJ-CQSZACIVSA-N 1 2 415.925 2.510 50 0 HFAALO NC(=O)Cn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2ccccc2c1=O ZINC000014125550 558623098 /nfs/dbraw/zinc/62/30/98/558623098.db2.gz GVGVRYNAEDWQCU-OAQYLSRUSA-N 1 2 404.495 2.823 50 0 HFAALO CCCNC(=O)C[NH+]1CCN(c2nc(C)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000014187140 558631467 /nfs/dbraw/zinc/63/14/67/558631467.db2.gz QUTAQPXSXMFHDG-AWEZNQCLSA-N 1 2 401.580 2.773 50 0 HFAALO O=C(C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccccc1 ZINC000025168414 558633560 /nfs/dbraw/zinc/63/35/60/558633560.db2.gz LQXRFGZOIBSDDT-UHFFFAOYSA-N 1 2 413.952 2.783 50 0 HFAALO O=C(COC(=O)c1ccc2ccccc2n1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000014255014 558651106 /nfs/dbraw/zinc/65/11/06/558651106.db2.gz DXEFCCTXSYIGNZ-UHFFFAOYSA-N 1 2 407.445 2.875 50 0 HFAALO CC(C)(CNC(=O)CSc1nnnn1C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025898944 558651717 /nfs/dbraw/zinc/65/17/17/558651717.db2.gz NGGKTXNEGNPLLX-UHFFFAOYSA-N 1 2 414.579 2.833 50 0 HFAALO CC(C)(CNC(=O)CSc1nnnn1C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000025898944 558651720 /nfs/dbraw/zinc/65/17/20/558651720.db2.gz NGGKTXNEGNPLLX-UHFFFAOYSA-N 1 2 414.579 2.833 50 0 HFAALO COc1ccc(Cl)cc1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026935158 558667284 /nfs/dbraw/zinc/66/72/84/558667284.db2.gz VKWRQCKBLAFYKL-UHFFFAOYSA-N 1 2 402.878 2.964 50 0 HFAALO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000072270259 558673488 /nfs/dbraw/zinc/67/34/88/558673488.db2.gz BJVHYGBVWUTMPB-AWEZNQCLSA-N 1 2 410.444 2.649 50 0 HFAALO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000014856691 558674957 /nfs/dbraw/zinc/67/49/57/558674957.db2.gz HHBPTGYVZYFPTA-UHFFFAOYSA-N 1 2 422.924 2.833 50 0 HFAALO O=C1C(=O)N(CN2CC[NH+](Cc3cccs3)CC2)c2cccc(Br)c21 ZINC000028785207 558704543 /nfs/dbraw/zinc/70/45/43/558704543.db2.gz NQUOXXNHPMTZLU-UHFFFAOYSA-N 1 2 420.332 2.815 50 0 HFAALO CCOC(=O)c1ccsc1NC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000029117820 558710221 /nfs/dbraw/zinc/71/02/21/558710221.db2.gz JORFJQCZUUZJSE-UHFFFAOYSA-N 1 2 421.563 2.978 50 0 HFAALO CC(C)[C@H](CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)[NH+](C)C ZINC000030604206 558734029 /nfs/dbraw/zinc/73/40/29/558734029.db2.gz PRNDDDIPGAJCNM-KRWDZBQOSA-N 1 2 409.577 2.794 50 0 HFAALO COc1ccc([C@@H](NC(=O)CCn2c(=O)oc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000016475997 558793400 /nfs/dbraw/zinc/79/34/00/558793400.db2.gz RYRFVKBMUXHBJN-HXUWFJFHSA-N 1 2 406.442 2.633 50 0 HFAALO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CCc2ccncc2)CC1 ZINC000016523581 558795033 /nfs/dbraw/zinc/79/50/33/558795033.db2.gz CLIFPJCTPGDPKC-UHFFFAOYSA-N 1 2 400.331 2.937 50 0 HFAALO CCc1nnc(C(=O)Nc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)s1 ZINC000033022427 558837766 /nfs/dbraw/zinc/83/77/66/558837766.db2.gz VSXYGOSAFJCSNA-UHFFFAOYSA-N 1 2 422.514 2.710 50 0 HFAALO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)C1CCN(C(C)=O)CC1 ZINC000013543549 558842477 /nfs/dbraw/zinc/84/24/77/558842477.db2.gz XXTOZCOEHDZUQT-UHFFFAOYSA-N 1 2 418.607 2.591 50 0 HFAALO COc1ccc(NC(=O)[C@@H]([NH2+][C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1Cl ZINC000033040188 558869411 /nfs/dbraw/zinc/86/94/11/558869411.db2.gz ZIDXEBUWPDLREM-YJBOKZPZSA-N 1 2 408.907 2.805 50 0 HFAALO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000060361042 558887599 /nfs/dbraw/zinc/88/75/99/558887599.db2.gz FIUYSFNFSIXZAQ-HNNXBMFYSA-N 1 2 423.558 2.814 50 0 HFAALO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000060361042 558887600 /nfs/dbraw/zinc/88/76/00/558887600.db2.gz FIUYSFNFSIXZAQ-HNNXBMFYSA-N 1 2 423.558 2.814 50 0 HFAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058010478 558895023 /nfs/dbraw/zinc/89/50/23/558895023.db2.gz PGMDJWKIMOFXBO-LLGFUMIMSA-N 1 2 424.545 2.772 50 0 HFAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058010478 558895026 /nfs/dbraw/zinc/89/50/26/558895026.db2.gz PGMDJWKIMOFXBO-LLGFUMIMSA-N 1 2 424.545 2.772 50 0 HFAALO O=C(C[NH+]1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc32)CC1)NC1CC1 ZINC000058161803 558905746 /nfs/dbraw/zinc/90/57/46/558905746.db2.gz NVIUZXMJYYTFKE-UHFFFAOYSA-N 1 2 411.506 2.898 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000019555329 558918207 /nfs/dbraw/zinc/91/82/07/558918207.db2.gz RBBKWQCKNNPUCI-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058402009 558924185 /nfs/dbraw/zinc/92/41/85/558924185.db2.gz AQJSWVWWNGNVLX-DIFFPNOSSA-N 1 2 402.248 2.942 50 0 HFAALO CCS(=O)(=O)c1ccccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000059921449 558939934 /nfs/dbraw/zinc/93/99/34/558939934.db2.gz YYDRBGZBFLLDPR-UHFFFAOYSA-N 1 2 422.304 2.820 50 0 HFAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)ncn2)c1C ZINC000072442113 558982221 /nfs/dbraw/zinc/98/22/21/558982221.db2.gz RBBPVYAZNCZEQI-UHFFFAOYSA-N 1 2 410.909 2.824 50 0 HFAALO Cc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996763 558982281 /nfs/dbraw/zinc/98/22/81/558982281.db2.gz AZAFLTPPPBBQIP-UHFFFAOYSA-N 1 2 401.532 2.862 50 0 HFAALO O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067675686 558991403 /nfs/dbraw/zinc/99/14/03/558991403.db2.gz KARREVKNXAXUGJ-QGZVFWFLSA-N 1 2 402.502 2.888 50 0 HFAALO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000097139569 558996810 /nfs/dbraw/zinc/99/68/10/558996810.db2.gz DJRWNGKWGUGZQY-CQSZACIVSA-N 1 2 403.335 2.740 50 0 HFAALO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000097139569 558996811 /nfs/dbraw/zinc/99/68/11/558996811.db2.gz DJRWNGKWGUGZQY-CQSZACIVSA-N 1 2 403.335 2.740 50 0 HFAALO CC1CC[NH+](Cc2nnnn2CCCC(=O)N2CCC[C@@H]2c2nccs2)CC1 ZINC000095504770 559083041 /nfs/dbraw/zinc/08/30/41/559083041.db2.gz CYQUCKOUCAUSMH-MRXNPFEDSA-N 1 2 403.556 2.505 50 0 HFAALO O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095509908 559083692 /nfs/dbraw/zinc/08/36/92/559083692.db2.gz NWHJMGZCGGAQFC-UHFFFAOYSA-N 1 2 400.429 2.614 50 0 HFAALO CC(C)[C@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000013988090 559130551 /nfs/dbraw/zinc/13/05/51/559130551.db2.gz IRZKOOHWHGZHOF-DEOSSOPVSA-N 1 2 424.545 2.878 50 0 HFAALO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000100937741 559142100 /nfs/dbraw/zinc/14/21/00/559142100.db2.gz HNIVCONXPLZXGL-FCHUYYIVSA-N 1 2 406.486 2.743 50 0 HFAALO O=C([C@H]1CC(c2ccc(Cl)s2)=NO1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072314249 559165397 /nfs/dbraw/zinc/16/53/97/559165397.db2.gz OUCXUXVHIPIGCV-MRXNPFEDSA-N 1 2 405.907 2.945 50 0 HFAALO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000014670884 559172045 /nfs/dbraw/zinc/17/20/45/559172045.db2.gz BHJABYVSYLGIST-ZDUSSCGKSA-N 1 2 402.476 2.586 50 0 HFAALO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000014670884 559172047 /nfs/dbraw/zinc/17/20/47/559172047.db2.gz BHJABYVSYLGIST-ZDUSSCGKSA-N 1 2 402.476 2.586 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000023753452 559180791 /nfs/dbraw/zinc/18/07/91/559180791.db2.gz KZCXZBBJALZBLN-UHFFFAOYSA-N 1 2 404.532 2.697 50 0 HFAALO CC[C@H]1C[N@H+](CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000011910690 559265907 /nfs/dbraw/zinc/26/59/07/559265907.db2.gz JFQYMOUCDXDNDM-SFHVURJKSA-N 1 2 423.517 2.619 50 0 HFAALO CC[C@H]1C[N@@H+](CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000011910690 559265908 /nfs/dbraw/zinc/26/59/08/559265908.db2.gz JFQYMOUCDXDNDM-SFHVURJKSA-N 1 2 423.517 2.619 50 0 HFAALO COC(=O)C[C@H](NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000061964477 560563721 /nfs/dbraw/zinc/56/37/21/560563721.db2.gz HQEZDJIMTGHVPK-FQEVSTJZSA-N 1 2 417.456 2.507 50 0 HFAALO O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022861 560567522 /nfs/dbraw/zinc/56/75/22/560567522.db2.gz YDABLQPATBNACW-SFHVURJKSA-N 1 2 415.501 2.719 50 0 HFAALO O=C(CCNC(=O)c1ccccc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000018121715 560778269 /nfs/dbraw/zinc/77/82/69/560778269.db2.gz KFQOBMOQQVSTHL-UHFFFAOYSA-N 1 2 415.921 2.683 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000051102116 560780311 /nfs/dbraw/zinc/78/03/11/560780311.db2.gz WZGAAONTQDCTTD-HNNXBMFYSA-N 1 2 401.960 2.627 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C(C)C)C1 ZINC000051102116 560780313 /nfs/dbraw/zinc/78/03/13/560780313.db2.gz WZGAAONTQDCTTD-HNNXBMFYSA-N 1 2 401.960 2.627 50 0 HFAALO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106920789 560894429 /nfs/dbraw/zinc/89/44/29/560894429.db2.gz AWKOLUIXYGKGNI-QUCCMNQESA-N 1 2 408.564 2.881 50 0 HFAALO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000106920789 560894431 /nfs/dbraw/zinc/89/44/31/560894431.db2.gz AWKOLUIXYGKGNI-QUCCMNQESA-N 1 2 408.564 2.881 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@@H+]1C[C@H](C)O ZINC000108127620 560898088 /nfs/dbraw/zinc/89/80/88/560898088.db2.gz ZVWCMNSPFVIXRN-RYUDHWBXSA-N 1 2 414.877 2.825 50 0 HFAALO CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC[N@H+]1C[C@H](C)O ZINC000108127620 560898090 /nfs/dbraw/zinc/89/80/90/560898090.db2.gz ZVWCMNSPFVIXRN-RYUDHWBXSA-N 1 2 414.877 2.825 50 0 HFAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)CC1 ZINC000045895106 568421296 /nfs/dbraw/zinc/42/12/96/568421296.db2.gz JOKPPKZYFPMRQM-UHFFFAOYSA-N 1 2 403.548 2.707 50 0 HFAALO Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048288682 568434758 /nfs/dbraw/zinc/43/47/58/568434758.db2.gz NUUMQUOJRLPZPO-GJZGRUSLSA-N 1 2 404.942 2.910 50 0 HFAALO CN(C)c1cc(CNC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc[nH+]1 ZINC000048333210 568439450 /nfs/dbraw/zinc/43/94/50/568439450.db2.gz QDNPQQKOWWAOLB-INIZCTEOSA-N 1 2 420.435 2.831 50 0 HFAALO CN(C)c1cc(CNC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc[nH+]1 ZINC000048333209 568439467 /nfs/dbraw/zinc/43/94/67/568439467.db2.gz QDNPQQKOWWAOLB-MRXNPFEDSA-N 1 2 420.435 2.831 50 0 HFAALO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000024665060 568456361 /nfs/dbraw/zinc/45/63/61/568456361.db2.gz RMSQPLISRNLELI-UHFFFAOYSA-N 1 2 402.498 2.699 50 0 HFAALO CCOc1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2=O)cc1 ZINC000022691951 568497665 /nfs/dbraw/zinc/49/76/65/568497665.db2.gz FMBBGYDUHXWEJW-QGZVFWFLSA-N 1 2 413.543 2.844 50 0 HFAALO CCCCCCn1c(C[N@@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020235395 568595393 /nfs/dbraw/zinc/59/53/93/568595393.db2.gz YQXGWCNGOXQWAK-UHFFFAOYSA-N 1 2 409.534 2.572 50 0 HFAALO CCCCCCn1c(C[N@H+]2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000020235395 568595396 /nfs/dbraw/zinc/59/53/96/568595396.db2.gz YQXGWCNGOXQWAK-UHFFFAOYSA-N 1 2 409.534 2.572 50 0 HFAALO COc1ccc(-c2nc(CSCC(=O)N3CC[NH+](C)CC3)c(C)o2)cc1OC ZINC000020241072 568595873 /nfs/dbraw/zinc/59/58/73/568595873.db2.gz PFTIQZZFQFLETD-UHFFFAOYSA-N 1 2 405.520 2.674 50 0 HFAALO Cc1[nH]ncc1CCCNC(=O)[C@@H](C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000095400399 568604891 /nfs/dbraw/zinc/60/48/91/568604891.db2.gz YEYGAUIDPCWDSX-ZDUSSCGKSA-N 1 2 406.914 2.617 50 0 HFAALO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000020643736 568638832 /nfs/dbraw/zinc/63/88/32/568638832.db2.gz FCFWOMPEWUKHIJ-UHFFFAOYSA-N 1 2 414.531 2.788 50 0 HFAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2[nH]c1=S ZINC000020645308 568639080 /nfs/dbraw/zinc/63/90/80/568639080.db2.gz SYOYYOAAPWYTNK-OAHLLOKOSA-N 1 2 402.564 2.899 50 0 HFAALO CCNS(=O)(=O)c1ccc(CC(=O)OCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000095942857 568662672 /nfs/dbraw/zinc/66/26/72/568662672.db2.gz WCBDXZYTOWPMQY-UHFFFAOYSA-N 1 2 415.515 2.819 50 0 HFAALO Nc1c(C(=O)NCc2ccc(F)cc2)sc(=S)n1CCC[NH+]1CCOCC1 ZINC000096346624 568737861 /nfs/dbraw/zinc/73/78/61/568737861.db2.gz VQFGYRSOTUOVDU-UHFFFAOYSA-N 1 2 410.540 2.653 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)c1[nH+]ccn1C ZINC000012520045 568840978 /nfs/dbraw/zinc/84/09/78/568840978.db2.gz LNOWMPHRESJJLM-LJQANCHMSA-N 1 2 408.483 2.992 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000012534980 568845035 /nfs/dbraw/zinc/84/50/35/568845035.db2.gz UGRYSSNDNGZNKN-UHFFFAOYSA-N 1 2 414.487 2.513 50 0 HFAALO COc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000012561533 568858574 /nfs/dbraw/zinc/85/85/74/568858574.db2.gz BRNUTQJSMIXUKD-HRAATJIYSA-N 1 2 414.502 2.904 50 0 HFAALO CCOc1ccc(C(=O)N[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C(C)C)cc1 ZINC000012576990 568862676 /nfs/dbraw/zinc/86/26/76/568862676.db2.gz NZXQUNFHYZXXPS-OAQYLSRUSA-N 1 2 408.502 2.846 50 0 HFAALO C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000012594002 568868574 /nfs/dbraw/zinc/86/85/74/568868574.db2.gz DOOIIMUBMHWATF-WMZHIEFXSA-N 1 2 421.541 2.745 50 0 HFAALO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000012593991 568868671 /nfs/dbraw/zinc/86/86/71/568868671.db2.gz DOOIIMUBMHWATF-CVDCTZTESA-N 1 2 421.541 2.745 50 0 HFAALO Cc1scnc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299802596 568876652 /nfs/dbraw/zinc/87/66/52/568876652.db2.gz ZOKFYCUJILTOFJ-IBGZPJMESA-N 1 2 419.522 2.861 50 0 HFAALO O=C(CCNC(=O)c1ccc(F)cc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000052977868 568915156 /nfs/dbraw/zinc/91/51/56/568915156.db2.gz QPJSAACRGADWFJ-UHFFFAOYSA-N 1 2 403.885 2.943 50 0 HFAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000031779458 568931097 /nfs/dbraw/zinc/93/10/97/568931097.db2.gz CZNAXLUZDNFKGO-UHFFFAOYSA-N 1 2 415.453 2.819 50 0 HFAALO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000084083789 568936562 /nfs/dbraw/zinc/93/65/62/568936562.db2.gz WLYLRCCUSFOZNJ-OAQYLSRUSA-N 1 2 415.559 2.951 50 0 HFAALO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCN(S(C)(=O)=O)CC2)c1 ZINC000084083789 568936564 /nfs/dbraw/zinc/93/65/64/568936564.db2.gz WLYLRCCUSFOZNJ-OAQYLSRUSA-N 1 2 415.559 2.951 50 0 HFAALO O=C(CN1c2ccccc2OCCC1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012786307 568960252 /nfs/dbraw/zinc/96/02/52/568960252.db2.gz ZBBOTVJLDUZWRM-UHFFFAOYSA-N 1 2 413.905 2.800 50 0 HFAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000008275690 568986895 /nfs/dbraw/zinc/98/68/95/568986895.db2.gz MGGAZHJFWJGZMB-QGZVFWFLSA-N 1 2 408.531 2.572 50 0 HFAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)N1CCN(c2ncccn2)CC1 ZINC000008275690 568986898 /nfs/dbraw/zinc/98/68/98/568986898.db2.gz MGGAZHJFWJGZMB-QGZVFWFLSA-N 1 2 408.531 2.572 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)c1 ZINC000104414992 569008758 /nfs/dbraw/zinc/00/87/58/569008758.db2.gz BTEPSUPNWBXNCC-OAQYLSRUSA-N 1 2 406.530 2.950 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3cccn3-c3ccccn3)C[C@H]2CCO)c1 ZINC000104414992 569008759 /nfs/dbraw/zinc/00/87/59/569008759.db2.gz BTEPSUPNWBXNCC-OAQYLSRUSA-N 1 2 406.530 2.950 50 0 HFAALO COc1ccc(-c2nc(CC(=O)NCC(C)(C)[NH+]3CCOCC3)cs2)cc1OC ZINC000012852729 569010558 /nfs/dbraw/zinc/01/05/58/569010558.db2.gz BWAQTDDGUSKEJP-UHFFFAOYSA-N 1 2 419.547 2.597 50 0 HFAALO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000006199007 569031471 /nfs/dbraw/zinc/03/14/71/569031471.db2.gz FCPJNMAAVOFQGS-QGZVFWFLSA-N 1 2 424.526 2.843 50 0 HFAALO COc1ccc(C(F)(F)F)cc1NC(=O)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000575610847 569032431 /nfs/dbraw/zinc/03/24/31/569032431.db2.gz YYUHBCXDPYDIRN-UHFFFAOYSA-N 1 2 418.379 2.765 50 0 HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4cc(C)cc(C)c4)CC3)NC2=O)cc1 ZINC000035430796 569036795 /nfs/dbraw/zinc/03/67/95/569036795.db2.gz SDGOELFRKYYAOO-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 biogenic HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000089289581 569057920 /nfs/dbraw/zinc/05/79/20/569057920.db2.gz ZQCVTDUNDQDSQA-LJQANCHMSA-N 1 2 414.594 2.985 50 0 HFAALO CS(=O)(=O)NC1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000054146596 569059908 /nfs/dbraw/zinc/05/99/08/569059908.db2.gz QCXMCZZGGIUMRZ-LJQANCHMSA-N 1 2 405.495 2.519 50 0 HFAALO Cc1cc(C)n(CCCNC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)n1 ZINC000006590631 569068440 /nfs/dbraw/zinc/06/84/40/569068440.db2.gz VRADOSPBIPEHGZ-UHFFFAOYSA-N 1 2 421.530 2.927 50 0 HFAALO O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000035966842 569069245 /nfs/dbraw/zinc/06/92/45/569069245.db2.gz ZUIWSHRJWJXDJO-UARRHKHWSA-N 1 2 417.553 2.854 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCCC(=O)N(C)C)csc2C1 ZINC000426698481 569073884 /nfs/dbraw/zinc/07/38/84/569073884.db2.gz TZOKPSVRZPXOFD-UHFFFAOYSA-N 1 2 404.536 2.509 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCCC(=O)N(C)C)csc2C1 ZINC000426698481 569073885 /nfs/dbraw/zinc/07/38/85/569073885.db2.gz TZOKPSVRZPXOFD-UHFFFAOYSA-N 1 2 404.536 2.509 50 0 HFAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000006612891 569074311 /nfs/dbraw/zinc/07/43/11/569074311.db2.gz QIWQLGIBJOHHIP-UHFFFAOYSA-N 1 2 421.494 2.802 50 0 HFAALO CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000006612891 569074312 /nfs/dbraw/zinc/07/43/12/569074312.db2.gz QIWQLGIBJOHHIP-UHFFFAOYSA-N 1 2 421.494 2.802 50 0 HFAALO CC[C@H](C)N1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024502 569077637 /nfs/dbraw/zinc/07/76/37/569077637.db2.gz IEWIHKDBDJSWLS-YJBOKZPZSA-N 1 2 411.543 2.561 50 0 HFAALO COc1ccc(-c2noc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nn3)n2)cc1 ZINC000064837977 569106141 /nfs/dbraw/zinc/10/61/41/569106141.db2.gz KTAJCUYGJRZIHA-UHFFFAOYSA-N 1 2 415.457 2.924 50 0 HFAALO CC[C@@H](C)NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000036252014 569119465 /nfs/dbraw/zinc/11/94/65/569119465.db2.gz BXXRBQDHJYTRHL-UTKZUKDTSA-N 1 2 401.551 2.927 50 0 HFAALO CC(C)(C)CC(=O)N1CC[NH+]([C@H](C(=O)NCc2ccccn2)C2CCCC2)CC1 ZINC000036253417 569119730 /nfs/dbraw/zinc/11/97/30/569119730.db2.gz FWIKWFKZLODMBK-NRFANRHFSA-N 1 2 400.567 2.837 50 0 HFAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCSCC3)C3CCCC3)CC2)cc1 ZINC000036251157 569119787 /nfs/dbraw/zinc/11/97/87/569119787.db2.gz DVSKHUMDHSEOIA-OAQYLSRUSA-N 1 2 415.603 2.887 50 0 HFAALO Cc1c(=O)[nH]c2ccccc2c1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000036360341 569151503 /nfs/dbraw/zinc/15/15/03/569151503.db2.gz HSOVMSIUBVXMMB-UHFFFAOYSA-N 1 2 405.454 2.523 50 0 HFAALO Cn1cc(CC[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccnc21 ZINC000065164736 569189377 /nfs/dbraw/zinc/18/93/77/569189377.db2.gz MNOSKNJFNALGQM-UHFFFAOYSA-N 1 2 418.950 2.776 50 0 HFAALO O=C(Nc1ccc(F)cc1Cl)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255162 569207651 /nfs/dbraw/zinc/20/76/51/569207651.db2.gz VTMBJBDZURPTSQ-UHFFFAOYSA-N 1 2 403.845 2.808 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000252444228 569285962 /nfs/dbraw/zinc/28/59/62/569285962.db2.gz WUDUWXJEBMPLBA-BRWVUGGUSA-N 1 2 410.543 2.884 50 0 HFAALO CC[N@H+](CC(=O)NC(=O)NCc1ccco1)CC(=O)Nc1cc(Cl)ccc1C ZINC000007669999 569299952 /nfs/dbraw/zinc/29/99/52/569299952.db2.gz KZFIMSIDUZZZHF-UHFFFAOYSA-N 1 2 406.870 2.528 50 0 HFAALO CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)CC(=O)Nc1cc(Cl)ccc1C ZINC000007669999 569299953 /nfs/dbraw/zinc/29/99/53/569299953.db2.gz KZFIMSIDUZZZHF-UHFFFAOYSA-N 1 2 406.870 2.528 50 0 HFAALO Cc1c(C)c(C)c(S(=O)(=O)N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c(C)c1C ZINC000007728239 569303602 /nfs/dbraw/zinc/30/36/02/569303602.db2.gz XMBOPWCMTZPVGZ-UHFFFAOYSA-N 1 2 423.623 2.840 50 0 HFAALO Cc1c(C)c(C)c(S(=O)(=O)N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c(C)c1C ZINC000007728239 569303603 /nfs/dbraw/zinc/30/36/03/569303603.db2.gz XMBOPWCMTZPVGZ-UHFFFAOYSA-N 1 2 423.623 2.840 50 0 HFAALO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000078724194 569419938 /nfs/dbraw/zinc/41/99/38/569419938.db2.gz NRCGCPQKJVKUGA-KRWDZBQOSA-N 1 2 404.308 2.821 50 0 HFAALO COCCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000079109462 569428027 /nfs/dbraw/zinc/42/80/27/569428027.db2.gz JSDVKNAADMYEKW-MRXNPFEDSA-N 1 2 418.925 2.909 50 0 HFAALO CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000079111900 569428265 /nfs/dbraw/zinc/42/82/65/569428265.db2.gz VTLSJJYOKMJFLL-MRXNPFEDSA-N 1 2 423.535 2.907 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286950 571065131 /nfs/dbraw/zinc/06/51/31/571065131.db2.gz NFAOBQMOJFJXOD-QGZVFWFLSA-N 1 2 407.561 2.628 50 0 HFAALO CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286950 571065133 /nfs/dbraw/zinc/06/51/33/571065133.db2.gz NFAOBQMOJFJXOD-QGZVFWFLSA-N 1 2 407.561 2.628 50 0 HFAALO Cc1cc(N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)nc(N)[nH+]1 ZINC000008752594 571112424 /nfs/dbraw/zinc/11/24/24/571112424.db2.gz QVSRHBYXCVKMAQ-CQSZACIVSA-N 1 2 416.201 2.995 50 0 HFAALO COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000040088278 571158650 /nfs/dbraw/zinc/15/86/50/571158650.db2.gz ZEQYICVRKOESHH-OAHLLOKOSA-N 1 2 414.487 2.511 50 0 HFAALO CCN1C[C@H](C[N@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)Oc2ccccc21 ZINC000040119955 571176144 /nfs/dbraw/zinc/17/61/44/571176144.db2.gz YKZDFUISFNDMPW-SFHVURJKSA-N 1 2 419.547 2.783 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)Oc2ccccc21 ZINC000040119955 571176147 /nfs/dbraw/zinc/17/61/47/571176147.db2.gz YKZDFUISFNDMPW-SFHVURJKSA-N 1 2 419.547 2.783 50 0 HFAALO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c(OC)c1 ZINC000009070850 571218565 /nfs/dbraw/zinc/21/85/65/571218565.db2.gz WOPLVRQPEANPNH-UHFFFAOYSA-N 1 2 423.513 2.944 50 0 HFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c(O)[nH]c(=O)n(C2CCCCCC2)c1=O ZINC000009319819 571247884 /nfs/dbraw/zinc/24/78/84/571247884.db2.gz HQECRVLCHNZMNR-HXUWFJFHSA-N 1 2 424.501 2.863 50 0 biogenic HFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c(=O)[nH]c(=O)n(C2CCCCCC2)c1O ZINC000009319819 571247886 /nfs/dbraw/zinc/24/78/86/571247886.db2.gz HQECRVLCHNZMNR-HXUWFJFHSA-N 1 2 424.501 2.863 50 0 biogenic HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1nc2ccccc2s1 ZINC000022800741 571305984 /nfs/dbraw/zinc/30/59/84/571305984.db2.gz LATCCXWFVMAEIK-UHFFFAOYSA-N 1 2 410.499 2.781 50 0 HFAALO COC(=O)[C@]1(C)C[C@H](C(=O)NCc2ccccn2)[C@H](c2ccccc2Cl)[N@@H+]1C ZINC000055307576 571315239 /nfs/dbraw/zinc/31/52/39/571315239.db2.gz VOPQZGRELMCVEQ-MDKPJZGXSA-N 1 2 401.894 2.976 50 0 HFAALO COC(=O)[C@]1(C)C[C@H](C(=O)NCc2ccccn2)[C@H](c2ccccc2Cl)[N@H+]1C ZINC000055307576 571315241 /nfs/dbraw/zinc/31/52/41/571315241.db2.gz VOPQZGRELMCVEQ-MDKPJZGXSA-N 1 2 401.894 2.976 50 0 HFAALO O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)NCC[NH+]1CCOCC1 ZINC000003047229 132262020 /nfs/dbraw/zinc/26/20/20/132262020.db2.gz AHXNRBQOZGSERQ-PGMHBOJBSA-N 1 2 423.538 2.615 50 0 HFAALO CCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000004166190 132272280 /nfs/dbraw/zinc/27/22/80/132272280.db2.gz OHYQEXRZIBLYKP-HXUWFJFHSA-N 1 2 408.502 2.715 50 0 HFAALO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004247850 132273771 /nfs/dbraw/zinc/27/37/71/132273771.db2.gz RMWIXUKKMWZLPB-JOCHJYFZSA-N 1 2 417.509 2.875 50 0 HFAALO O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007229876 132322967 /nfs/dbraw/zinc/32/29/67/132322967.db2.gz YSYVCZYAWNVFNT-UHFFFAOYSA-N 1 2 420.542 2.981 50 0 HFAALO CCOCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000009265332 132337935 /nfs/dbraw/zinc/33/79/35/132337935.db2.gz IZJXWLVCZCGAIZ-UHFFFAOYSA-N 1 2 408.458 2.765 50 0 HFAALO Cc1cc(N2CCN(C(=O)c3ccc(Cn4cncn4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000011210709 132347765 /nfs/dbraw/zinc/34/77/65/132347765.db2.gz CKSHXMJAKDQFKN-UHFFFAOYSA-N 1 2 405.506 2.511 50 0 HFAALO O=S(=O)(Cc1cccc(Cl)c1)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000011900956 132351745 /nfs/dbraw/zinc/35/17/45/132351745.db2.gz HFDFCCKTTDUROE-UHFFFAOYSA-N 1 2 411.930 2.721 50 0 HFAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000012594301 132364846 /nfs/dbraw/zinc/36/48/46/132364846.db2.gz FJGVRSOKJRKOAS-UHFFFAOYSA-N 1 2 413.493 2.550 50 0 HFAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000012594301 132364847 /nfs/dbraw/zinc/36/48/47/132364847.db2.gz FJGVRSOKJRKOAS-UHFFFAOYSA-N 1 2 413.493 2.550 50 0 HFAALO COc1cc(NC(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc(OC)c1 ZINC000012786501 132367263 /nfs/dbraw/zinc/36/72/63/132367263.db2.gz MCEKSINHNIRGDJ-UHFFFAOYSA-N 1 2 413.522 2.686 50 0 HFAALO Cc1cc(N2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)nc(C(C)C)[nH+]1 ZINC000015033133 132461040 /nfs/dbraw/zinc/46/10/40/132461040.db2.gz AFZUKFPZXSRXIQ-UHFFFAOYSA-N 1 2 420.561 2.871 50 0 HFAALO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000040009669 518806904 /nfs/dbraw/zinc/80/69/04/518806904.db2.gz QRZATCCIBJERBF-FQEVSTJZSA-N 1 2 417.550 2.782 50 0 HFAALO CC(C)c1noc(-c2ccc(OCC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)n1 ZINC000032578813 519899168 /nfs/dbraw/zinc/89/91/68/519899168.db2.gz OCGAKWUZGOOQKE-UHFFFAOYSA-N 1 2 407.474 2.983 50 0 HFAALO COc1ccc(C(=O)Nc2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)cc1OC ZINC000032124329 523741385 /nfs/dbraw/zinc/74/13/85/523741385.db2.gz JVOLUSWWARUMHR-UHFFFAOYSA-N 1 2 400.431 2.681 50 0 biogenic HFAALO COc1ccc(C(=O)Nc2c3c(c(OC)c4c2CC[N@@H+](C)C4)OCO3)cc1OC ZINC000032124329 523741393 /nfs/dbraw/zinc/74/13/93/523741393.db2.gz JVOLUSWWARUMHR-UHFFFAOYSA-N 1 2 400.431 2.681 50 0 biogenic HFAALO C[C@@H](C(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)n1cnc2ccccc21 ZINC000031816928 524126051 /nfs/dbraw/zinc/12/60/51/524126051.db2.gz KMODNCUWDQAUBK-KRWDZBQOSA-N 1 2 406.486 2.713 50 0 HFAALO Cc1ccc(C)c(NC(=O)[C@H](C)N2CC[NH+](CC(=O)N3CCCCCC3)CC2)c1 ZINC000032797339 524154861 /nfs/dbraw/zinc/15/48/61/524154861.db2.gz FISUSABAUXJOTN-FQEVSTJZSA-N 1 2 400.567 2.651 50 0 HFAALO COc1ccc(OCc2noc(CNC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000044227379 524978675 /nfs/dbraw/zinc/97/86/75/524978675.db2.gz WCIZWYZGEVYHHA-UHFFFAOYSA-N 1 2 419.441 2.832 50 0 HFAALO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000032300059 526023765 /nfs/dbraw/zinc/02/37/65/526023765.db2.gz ZVKRCZOZXWHPBL-MRXNPFEDSA-N 1 2 413.493 2.830 50 0 HFAALO O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000032593296 526589697 /nfs/dbraw/zinc/58/96/97/526589697.db2.gz VOGZSJDHZYTNIZ-UHFFFAOYSA-N 1 2 420.469 2.508 50 0 HFAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1OCC(F)(F)F ZINC000032276146 526621996 /nfs/dbraw/zinc/62/19/96/526621996.db2.gz LFTUUSAZLRJEJE-INIZCTEOSA-N 1 2 409.408 2.654 50 0 HFAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1OCC(F)(F)F ZINC000032276146 526622000 /nfs/dbraw/zinc/62/20/00/526622000.db2.gz LFTUUSAZLRJEJE-INIZCTEOSA-N 1 2 409.408 2.654 50 0 HFAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)NC(=O)NCCc1cccs1 ZINC000032739778 526701681 /nfs/dbraw/zinc/70/16/81/526701681.db2.gz ZBHPIIAQBDGIFY-OAHLLOKOSA-N 1 2 407.561 2.859 50 0 HFAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)NC(=O)NCCc1cccs1 ZINC000032739778 526701688 /nfs/dbraw/zinc/70/16/88/526701688.db2.gz ZBHPIIAQBDGIFY-OAHLLOKOSA-N 1 2 407.561 2.859 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)NCc1ccc(Cl)cc1 ZINC000020457865 526774111 /nfs/dbraw/zinc/77/41/11/526774111.db2.gz PPTPJPOARYHQMD-UHFFFAOYSA-N 1 2 401.894 2.503 50 0 HFAALO O=C(C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)NCCc1ccc(F)cc1 ZINC000032894962 526821915 /nfs/dbraw/zinc/82/19/15/526821915.db2.gz FAWUQSYIKULJDL-QFIPXVFZSA-N 1 2 409.505 2.534 50 0 HFAALO O=C(C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1)NCCc1ccc(F)cc1 ZINC000032894962 526821922 /nfs/dbraw/zinc/82/19/22/526821922.db2.gz FAWUQSYIKULJDL-QFIPXVFZSA-N 1 2 409.505 2.534 50 0 HFAALO CCOC(=O)NC(=S)Nc1cc2[nH]c(C)[nH+]c2cc1NC(=S)NC(=O)OCC ZINC000001888957 557294239 /nfs/dbraw/zinc/29/42/39/557294239.db2.gz QHROVMKTTDYZJK-UHFFFAOYSA-N 1 2 424.508 2.757 50 0 HFAALO Cc1ccccc1-n1nc(C(C)(C)C)c(NC(=O)NCC[NH+]2CCOCC2)c1N ZINC000034784703 557454611 /nfs/dbraw/zinc/45/46/11/557454611.db2.gz IAJUEDPIALSPRI-UHFFFAOYSA-N 1 2 400.527 2.514 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697131 557784096 /nfs/dbraw/zinc/78/40/96/557784096.db2.gz WGZJHROVOZHOJH-HXUWFJFHSA-N 1 2 417.481 2.885 50 0 HFAALO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2F)CC1)C1CC1 ZINC000022851574 557839291 /nfs/dbraw/zinc/83/92/91/557839291.db2.gz RXIMBLPRZSVPPM-HXUWFJFHSA-N 1 2 411.477 2.944 50 0 HFAALO O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907352 557851655 /nfs/dbraw/zinc/85/16/55/557851655.db2.gz QHTVWWRZYBKTDO-QFIPXVFZSA-N 1 2 417.509 2.854 50 0 HFAALO O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907352 557851658 /nfs/dbraw/zinc/85/16/58/557851658.db2.gz QHTVWWRZYBKTDO-QFIPXVFZSA-N 1 2 417.509 2.854 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 ZINC000022919541 558263065 /nfs/dbraw/zinc/26/30/65/558263065.db2.gz MFGHAQDLWNTXHX-MRXNPFEDSA-N 1 2 411.930 2.793 50 0 HFAALO C[C@H](C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000019772666 558280536 /nfs/dbraw/zinc/28/05/36/558280536.db2.gz JUNQEISKSJTAOR-OAHLLOKOSA-N 1 2 411.889 2.669 50 0 HFAALO COc1ccc(N2C(=O)C(Cl)=C(N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019792822 558283554 /nfs/dbraw/zinc/28/35/54/558283554.db2.gz QAUBSZJYHZZHRQ-UHFFFAOYSA-N 1 2 411.889 2.837 50 0 aggregator HFAALO CCOC(=O)c1nnn(Cc2ccccc2Cl)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000019897452 558303990 /nfs/dbraw/zinc/30/39/90/558303990.db2.gz MMBYTFZWZRYIGY-UHFFFAOYSA-N 1 2 419.913 2.827 50 0 HFAALO COc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020058785 558329103 /nfs/dbraw/zinc/32/91/03/558329103.db2.gz KLOYSJLJWAAVPH-UHFFFAOYSA-N 1 2 408.454 2.848 50 0 HFAALO COc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020058785 558329105 /nfs/dbraw/zinc/32/91/05/558329105.db2.gz KLOYSJLJWAAVPH-UHFFFAOYSA-N 1 2 408.454 2.848 50 0 HFAALO COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000020081840 558330832 /nfs/dbraw/zinc/33/08/32/558330832.db2.gz BGEKPOFYBUAQKY-UHFFFAOYSA-N 1 2 415.515 2.663 50 0 HFAALO COc1ccc(CN2Cn3c4ccccc4nc3N(CC[NH+]3CCOCC3)C2)cc1 ZINC000020101377 558332037 /nfs/dbraw/zinc/33/20/37/558332037.db2.gz TWGGLGDJMXAION-UHFFFAOYSA-N 1 2 407.518 2.614 50 0 HFAALO Cc1ccc2c(C[NH+]3CCN(CC(=O)Nc4cccc(F)c4)CC3)cc(=O)oc2c1 ZINC000020407857 558360501 /nfs/dbraw/zinc/36/05/01/558360501.db2.gz MKAXRNBMPBNLLT-UHFFFAOYSA-N 1 2 409.461 2.997 50 0 HFAALO CCc1[nH+]c2cc(N)cc(C(=O)NC[C@H]3COc4ccccc4O3)c2n1CCCOC ZINC000012241911 558360596 /nfs/dbraw/zinc/36/05/96/558360596.db2.gz ZOZRXADBVFXFDG-INIZCTEOSA-N 1 2 424.501 2.787 50 0 HFAALO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421528 558361850 /nfs/dbraw/zinc/36/18/50/558361850.db2.gz VDNKERVMQDDWGS-GOSISDBHSA-N 1 2 423.435 2.865 50 0 HFAALO Cc1c2ccc(OC[C@@H](O)C[NH+]3CCOCC3)cc2oc(=O)c1Cc1ccccc1 ZINC000020677423 558400389 /nfs/dbraw/zinc/40/03/89/558400389.db2.gz IHQFKSNIOOZCCY-IBGZPJMESA-N 1 2 409.482 2.764 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000012433535 558407670 /nfs/dbraw/zinc/40/76/70/558407670.db2.gz UQTIVDCLNHITRW-MRXNPFEDSA-N 1 2 414.531 2.762 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000012433535 558407672 /nfs/dbraw/zinc/40/76/72/558407672.db2.gz UQTIVDCLNHITRW-MRXNPFEDSA-N 1 2 414.531 2.762 50 0 HFAALO CC[NH+](CC)CCNC(c1ccccc1)=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000020789903 558413916 /nfs/dbraw/zinc/41/39/16/558413916.db2.gz XVFZQFKKWCFVHO-QZQOTICOSA-N 1 2 420.513 2.921 50 0 HFAALO O=C(Cn1nnnc1C[NH+]1CCCC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012454205 558416598 /nfs/dbraw/zinc/41/65/98/558416598.db2.gz NJPRXDKWCBOYIM-NRFANRHFSA-N 1 2 410.909 2.828 50 0 HFAALO CC(C)(CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1)[NH+]1CCOCC1 ZINC000020992793 558426067 /nfs/dbraw/zinc/42/60/67/558426067.db2.gz OVCFISUSCFLQSJ-UHFFFAOYSA-N 1 2 413.518 2.973 50 0 HFAALO C[C@@H]1Cc2cc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)ccc2N1S(C)(=O)=O ZINC000012629674 558441385 /nfs/dbraw/zinc/44/13/85/558441385.db2.gz KMMDMVMPKUXBCS-FOIQADDNSA-N 1 2 424.526 2.650 50 0 HFAALO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c2c1c(C)n[nH]c2=O ZINC000022016990 558457999 /nfs/dbraw/zinc/45/79/99/558457999.db2.gz BLOIXVYOVGILAU-UHFFFAOYSA-N 1 2 419.279 2.966 50 0 HFAALO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)c2c1c(C)n[nH]c2=O ZINC000022016990 558458002 /nfs/dbraw/zinc/45/80/02/558458002.db2.gz BLOIXVYOVGILAU-UHFFFAOYSA-N 1 2 419.279 2.966 50 0 HFAALO O=C(CSc1nnc(-c2ccccc2)o1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000022185786 558465391 /nfs/dbraw/zinc/46/53/91/558465391.db2.gz OETSKJLTEYPDRE-IBGZPJMESA-N 1 2 424.526 2.846 50 0 HFAALO O=C(CSc1nnc(-c2ccccc2)o1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000022185786 558465393 /nfs/dbraw/zinc/46/53/93/558465393.db2.gz OETSKJLTEYPDRE-IBGZPJMESA-N 1 2 424.526 2.846 50 0 HFAALO O=C(NCCCC(=O)N1CC[NH+](Cc2ccccc2F)CC1)NC1CCCCC1 ZINC000022474850 558491820 /nfs/dbraw/zinc/49/18/20/558491820.db2.gz QAJVXKJUFWWOBC-UHFFFAOYSA-N 1 2 404.530 2.882 50 0 HFAALO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c2c1c(C)n[nH]c2=O ZINC000010844223 558492244 /nfs/dbraw/zinc/49/22/44/558492244.db2.gz MMISFLMYPUCCCM-HNNXBMFYSA-N 1 2 424.457 2.680 50 0 HFAALO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c2c1c(C)n[nH]c2=O ZINC000010844223 558492247 /nfs/dbraw/zinc/49/22/47/558492247.db2.gz MMISFLMYPUCCCM-HNNXBMFYSA-N 1 2 424.457 2.680 50 0 HFAALO COc1ccc(-c2nc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)cs2)cc1OC ZINC000022611637 558502153 /nfs/dbraw/zinc/50/21/53/558502153.db2.gz LZWMLYIHKLOOCX-KRWDZBQOSA-N 1 2 419.547 2.914 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3F)CC2)cc1OC ZINC000022785209 558510845 /nfs/dbraw/zinc/51/08/45/558510845.db2.gz KYBZTJRQCCGRQM-MRXNPFEDSA-N 1 2 401.482 2.988 50 0 HFAALO C[C@H](C(=O)NC1CCCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022791923 558512229 /nfs/dbraw/zinc/51/22/29/558512229.db2.gz NDRFLEGSRZCSPW-QGZVFWFLSA-N 1 2 404.530 2.609 50 0 HFAALO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022799327 558512600 /nfs/dbraw/zinc/51/26/00/558512600.db2.gz KTWSQQBDCJELJC-VEDPWSRISA-N 1 2 421.589 2.925 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c1 ZINC000022912697 558519955 /nfs/dbraw/zinc/51/99/55/558519955.db2.gz DFQKWGSEMLPUOE-INIZCTEOSA-N 1 2 408.502 2.819 50 0 HFAALO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000022917130 558521937 /nfs/dbraw/zinc/52/19/37/558521937.db2.gz BLDFITVBSALLHA-MSOLQXFVSA-N 1 2 412.509 2.648 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000022929487 558523359 /nfs/dbraw/zinc/52/33/59/558523359.db2.gz IXLKLBJMTHNSJV-KSZLIROESA-N 1 2 420.985 2.789 50 0 HFAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000022931392 558524534 /nfs/dbraw/zinc/52/45/34/558524534.db2.gz KYVXNXDJTJSGIW-KRWDZBQOSA-N 1 2 406.958 2.687 50 0 HFAALO COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000023105718 558534306 /nfs/dbraw/zinc/53/43/06/558534306.db2.gz YRCLPYFDMHMQNG-LJQANCHMSA-N 1 2 414.502 2.824 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc(F)cc1F)CC2 ZINC000023129145 558536976 /nfs/dbraw/zinc/53/69/76/558536976.db2.gz YKSFYOIDXKGJIJ-CYBMUJFWSA-N 1 2 401.417 2.699 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000023129145 558536978 /nfs/dbraw/zinc/53/69/78/558536978.db2.gz YKSFYOIDXKGJIJ-CYBMUJFWSA-N 1 2 401.417 2.699 50 0 HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000023376707 558555252 /nfs/dbraw/zinc/55/52/52/558555252.db2.gz LIJIJYRVKKDDLH-IBGZPJMESA-N 1 2 400.567 2.596 50 0 HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000023376709 558555272 /nfs/dbraw/zinc/55/52/72/558555272.db2.gz LIJIJYRVKKDDLH-LJQANCHMSA-N 1 2 400.567 2.596 50 0 HFAALO NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000023617190 558563850 /nfs/dbraw/zinc/56/38/50/558563850.db2.gz BBUJTWPWAMLARF-KRWDZBQOSA-N 1 2 415.419 2.997 50 0 HFAALO O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024489884 558599018 /nfs/dbraw/zinc/59/90/18/558599018.db2.gz QTIXMDOSOUJHTP-UHFFFAOYSA-N 1 2 423.454 2.591 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccnc3N3CCCC3)CC2)cc1OC ZINC000014083490 558618457 /nfs/dbraw/zinc/61/84/57/558618457.db2.gz BZMVHIKZNVQRER-UHFFFAOYSA-N 1 2 410.518 2.657 50 0 HFAALO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000025637792 558646375 /nfs/dbraw/zinc/64/63/75/558646375.db2.gz VVORDLQSXBHING-UHFFFAOYSA-N 1 2 408.477 2.737 50 0 HFAALO CCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000025685678 558647568 /nfs/dbraw/zinc/64/75/68/558647568.db2.gz FGKYCUHEOONEDQ-UHFFFAOYSA-N 1 2 418.541 2.911 50 0 HFAALO COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000014248913 558649114 /nfs/dbraw/zinc/64/91/14/558649114.db2.gz KXROJJAOHVREQG-UHFFFAOYSA-N 1 2 404.532 2.643 50 0 HFAALO O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026258265 558657885 /nfs/dbraw/zinc/65/78/85/558657885.db2.gz PCINKJQABRZFJM-OAQYLSRUSA-N 1 2 424.497 2.931 50 0 HFAALO O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026258257 558657900 /nfs/dbraw/zinc/65/79/00/558657900.db2.gz PCINKJQABRZFJM-NRFANRHFSA-N 1 2 424.497 2.931 50 0 HFAALO CC(C)CN1C[C@@H](OCc2cccc(F)c2)C[N@H+](Cc2ccc(CO)o2)CC1=O ZINC000014750012 558670610 /nfs/dbraw/zinc/67/06/10/558670610.db2.gz ZSGKTDMJMYKACB-NRFANRHFSA-N 1 2 404.482 2.797 50 0 HFAALO CC(C)CN1C[C@@H](OCc2cccc(F)c2)C[N@@H+](Cc2ccc(CO)o2)CC1=O ZINC000014750012 558670614 /nfs/dbraw/zinc/67/06/14/558670614.db2.gz ZSGKTDMJMYKACB-NRFANRHFSA-N 1 2 404.482 2.797 50 0 HFAALO CC(C)Cn1c(C[N@H+](C)CCc2cn[nH]c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000015062972 558705650 /nfs/dbraw/zinc/70/56/50/558705650.db2.gz GBLJLUNYZHYJAN-UHFFFAOYSA-N 1 2 415.563 2.911 50 0 HFAALO CC(C)Cn1c(C[N@@H+](C)CCc2cn[nH]c2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000015062972 558705651 /nfs/dbraw/zinc/70/56/51/558705651.db2.gz GBLJLUNYZHYJAN-UHFFFAOYSA-N 1 2 415.563 2.911 50 0 HFAALO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000028875300 558706408 /nfs/dbraw/zinc/70/64/08/558706408.db2.gz IJMGTYJOUZNEHQ-PMACEKPBSA-N 1 2 417.550 2.823 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000015066062 558709054 /nfs/dbraw/zinc/70/90/54/558709054.db2.gz TXEXGZFQIHVDJK-NRFANRHFSA-N 1 2 411.571 2.920 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1)N1CCC(Cc2ccccc2)CC1 ZINC000015066062 558709056 /nfs/dbraw/zinc/70/90/56/558709056.db2.gz TXEXGZFQIHVDJK-NRFANRHFSA-N 1 2 411.571 2.920 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000030537129 558732024 /nfs/dbraw/zinc/73/20/24/558732024.db2.gz RJGJBQIXTVDNCP-FYYLOGMGSA-N 1 2 421.541 2.846 50 0 HFAALO CCc1cccc(C)c1-n1nnnc1[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000015414899 558739206 /nfs/dbraw/zinc/73/92/06/558739206.db2.gz YYMYDZIGDHYPCA-LJQANCHMSA-N 1 2 407.474 2.848 50 0 biogenic HFAALO CCc1cccc(C)c1-n1nnnc1[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000015414899 558739207 /nfs/dbraw/zinc/73/92/07/558739207.db2.gz YYMYDZIGDHYPCA-LJQANCHMSA-N 1 2 407.474 2.848 50 0 biogenic HFAALO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000072305040 558757323 /nfs/dbraw/zinc/75/73/23/558757323.db2.gz AWKOLUIXYGKGNI-AZUAARDMSA-N 1 2 408.564 2.881 50 0 HFAALO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000072305040 558757325 /nfs/dbraw/zinc/75/73/25/558757325.db2.gz AWKOLUIXYGKGNI-AZUAARDMSA-N 1 2 408.564 2.881 50 0 HFAALO CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000015924846 558762397 /nfs/dbraw/zinc/76/23/97/558762397.db2.gz DQKGIHDLVATZIM-UHFFFAOYSA-N 1 2 405.545 2.597 50 0 HFAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528185 558811914 /nfs/dbraw/zinc/81/19/14/558811914.db2.gz AJYQJRINGHJXIU-UHFFFAOYSA-N 1 2 401.898 2.701 50 0 HFAALO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528185 558811916 /nfs/dbraw/zinc/81/19/16/558811916.db2.gz AJYQJRINGHJXIU-UHFFFAOYSA-N 1 2 401.898 2.701 50 0 HFAALO CCn1ncc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1C ZINC000017082738 558814978 /nfs/dbraw/zinc/81/49/78/558814978.db2.gz PTRJMCKUSANAHZ-GFCCVEGCSA-N 1 2 403.552 2.567 50 0 HFAALO CCn1ncc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1C ZINC000017082738 558814979 /nfs/dbraw/zinc/81/49/79/558814979.db2.gz PTRJMCKUSANAHZ-GFCCVEGCSA-N 1 2 403.552 2.567 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc(OC)c1OC ZINC000039420761 558821054 /nfs/dbraw/zinc/82/10/54/558821054.db2.gz TWHJOGFASHVQKT-HXUWFJFHSA-N 1 2 418.509 2.920 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc(OC)c1OC ZINC000039420761 558821055 /nfs/dbraw/zinc/82/10/55/558821055.db2.gz TWHJOGFASHVQKT-HXUWFJFHSA-N 1 2 418.509 2.920 50 0 HFAALO Cc1cccc(C)c1OCCSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1 ZINC000017179800 558824953 /nfs/dbraw/zinc/82/49/53/558824953.db2.gz JTPQZFFRYDXUGC-UHFFFAOYSA-N 1 2 421.588 2.806 50 0 HFAALO C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000071333865 558868284 /nfs/dbraw/zinc/86/82/84/558868284.db2.gz VFRTXNSNGWHRLS-CYBMUJFWSA-N 1 2 405.861 2.733 50 0 HFAALO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000058161805 558905650 /nfs/dbraw/zinc/90/56/50/558905650.db2.gz COBGIYQQGMAJPE-FQEVSTJZSA-N 1 2 408.546 2.981 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)cc1 ZINC000058174192 558908735 /nfs/dbraw/zinc/90/87/35/558908735.db2.gz RZPFXUXRJCWIJS-UHFFFAOYSA-N 1 2 424.505 2.514 50 0 HFAALO O=C(c1ncccc1O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072170476 558930444 /nfs/dbraw/zinc/93/04/44/558930444.db2.gz YRMRDAOFERASDO-SFHVURJKSA-N 1 2 400.910 2.867 50 0 HFAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000060099630 558940981 /nfs/dbraw/zinc/94/09/81/558940981.db2.gz SFQCSXKDOUKCNK-OAHLLOKOSA-N 1 2 404.536 2.550 50 0 HFAALO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000060099630 558940983 /nfs/dbraw/zinc/94/09/83/558940983.db2.gz SFQCSXKDOUKCNK-OAHLLOKOSA-N 1 2 404.536 2.550 50 0 HFAALO Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000022996865 558982284 /nfs/dbraw/zinc/98/22/84/558982284.db2.gz KSPPNQWHWZGJLC-UHFFFAOYSA-N 1 2 405.495 2.692 50 0 HFAALO CNC(=O)N1CCC[C@H](c2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)C1 ZINC000033264522 558984554 /nfs/dbraw/zinc/98/45/54/558984554.db2.gz FJPHZEHJMMYXMP-FQEVSTJZSA-N 1 2 407.518 2.563 50 0 HFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4sc(C)nc4C)CC3)[nH+]c(C)n2)n1 ZINC000067602175 558987849 /nfs/dbraw/zinc/98/78/49/558987849.db2.gz LDCCMHIMQLBGLF-UHFFFAOYSA-N 1 2 411.535 2.623 50 0 HFAALO Cc1nnsc1C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)[nH+]2)CC1 ZINC000067614014 558989354 /nfs/dbraw/zinc/98/93/54/558989354.db2.gz WOROHIDXGFFZPQ-UHFFFAOYSA-N 1 2 409.519 2.959 50 0 HFAALO Cc1cc(S(=O)(=O)N2CC[NH+]([C@H]3CCSC3)CC2)ccc1Br ZINC000097104190 558993704 /nfs/dbraw/zinc/99/37/04/558993704.db2.gz JSXLMIJSXMISEW-ZDUSSCGKSA-N 1 2 405.383 2.569 50 0 HFAALO C[C@@H]1C[NH+](CC(=O)N(C)C2CCCCC2)C[C@@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000097164328 558998330 /nfs/dbraw/zinc/99/83/30/558998330.db2.gz MZMKVTGMDFQKBJ-WOJBJXKFSA-N 1 2 420.642 2.963 50 0 HFAALO C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@@H](C)[NH+]1CC(=O)N(C)C1CCCCC1 ZINC000097164328 558998332 /nfs/dbraw/zinc/99/83/32/558998332.db2.gz MZMKVTGMDFQKBJ-WOJBJXKFSA-N 1 2 420.642 2.963 50 0 HFAALO O=C(NCc1cccs1)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023107644 559010735 /nfs/dbraw/zinc/01/07/35/559010735.db2.gz MMKDPCHQOUVQCJ-NRFANRHFSA-N 1 2 423.538 2.707 50 0 HFAALO Cn1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccc(F)cc3s2)n1 ZINC000023128155 559016402 /nfs/dbraw/zinc/01/64/02/559016402.db2.gz XHALBYWNNPNODA-UHFFFAOYSA-N 1 2 403.483 2.538 50 0 HFAALO Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)c1C ZINC000082230643 559042823 /nfs/dbraw/zinc/04/28/23/559042823.db2.gz ACAUZZJMXGFBCD-UHFFFAOYSA-N 1 2 415.501 2.652 50 0 HFAALO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3nc(C)no3)CC2)c1 ZINC000095507355 559083311 /nfs/dbraw/zinc/08/33/11/559083311.db2.gz FUXXKLOEOGJUGL-UHFFFAOYSA-N 1 2 400.479 2.666 50 0 HFAALO COc1ccc(C(=O)N2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)cc1OC ZINC000011695687 559188970 /nfs/dbraw/zinc/18/89/70/559188970.db2.gz OJLIOUOPGIEUQX-UHFFFAOYSA-N 1 2 410.449 2.991 50 0 HFAALO O=C(Nc1ccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1)c1ccccn1 ZINC000408521498 559215211 /nfs/dbraw/zinc/21/52/11/559215211.db2.gz WTWMQDCRLHVJEI-UHFFFAOYSA-N 1 2 411.487 2.625 50 0 HFAALO COC(=O)c1c(C)[nH]c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1C ZINC000409413858 559250862 /nfs/dbraw/zinc/25/08/62/559250862.db2.gz LHJFWJOCZCRWBI-AWEZNQCLSA-N 1 2 414.458 2.957 50 0 biogenic HFAALO COC(=O)c1c(C)[nH]c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1C ZINC000409413858 559250864 /nfs/dbraw/zinc/25/08/64/559250864.db2.gz LHJFWJOCZCRWBI-AWEZNQCLSA-N 1 2 414.458 2.957 50 0 biogenic HFAALO CNC(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000005362761 560571935 /nfs/dbraw/zinc/57/19/35/560571935.db2.gz CTCZOCLGANOSAE-UHFFFAOYSA-N 1 2 411.478 2.693 50 0 HFAALO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000103292319 560840770 /nfs/dbraw/zinc/84/07/70/560840770.db2.gz JASKIEKWKBZAQL-IBGZPJMESA-N 1 2 401.869 2.929 50 0 HFAALO O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000103443343 560842078 /nfs/dbraw/zinc/84/20/78/560842078.db2.gz VLNJXDFZKBGHPA-HZPDHXFCSA-N 1 2 410.440 2.745 50 0 HFAALO O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000103443343 560842079 /nfs/dbraw/zinc/84/20/79/560842079.db2.gz VLNJXDFZKBGHPA-HZPDHXFCSA-N 1 2 410.440 2.745 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318362 560858564 /nfs/dbraw/zinc/85/85/64/560858564.db2.gz OFVOZROTUNIYCS-JOCHJYFZSA-N 1 2 420.513 2.598 50 0 HFAALO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046884174 560878531 /nfs/dbraw/zinc/87/85/31/560878531.db2.gz QNEBQHKJOLXPEY-NWDGAFQWSA-N 1 2 405.720 2.707 50 0 HFAALO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000107358049 560896270 /nfs/dbraw/zinc/89/62/70/560896270.db2.gz VXDYWCDRIVDUJR-DGCLKSJQSA-N 1 2 402.442 2.692 50 0 HFAALO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000107358049 560896272 /nfs/dbraw/zinc/89/62/72/560896272.db2.gz VXDYWCDRIVDUJR-DGCLKSJQSA-N 1 2 402.442 2.692 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907258 568415773 /nfs/dbraw/zinc/41/57/73/568415773.db2.gz IFTFNCGMQACJBG-OAQYLSRUSA-N 1 2 403.482 2.812 50 0 HFAALO O=C(NCc1ccccc1)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907258 568415774 /nfs/dbraw/zinc/41/57/74/568415774.db2.gz IFTFNCGMQACJBG-OAQYLSRUSA-N 1 2 403.482 2.812 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(Cn2cccnc2=O)c1 ZINC000047733564 568431087 /nfs/dbraw/zinc/43/10/87/568431087.db2.gz HLUAINPNBLNDMT-UHFFFAOYSA-N 1 2 404.474 2.609 50 0 HFAALO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@H+](C)CCOc2ccccc2F)C1=O ZINC000049574865 568452205 /nfs/dbraw/zinc/45/22/05/568452205.db2.gz KKLVPOYUDFWBCN-JOCHJYFZSA-N 1 2 415.465 2.960 50 0 HFAALO CC[C@]1(c2ccc(OC)cc2)NC(=O)N(C[N@@H+](C)CCOc2ccccc2F)C1=O ZINC000049574865 568452206 /nfs/dbraw/zinc/45/22/06/568452206.db2.gz KKLVPOYUDFWBCN-JOCHJYFZSA-N 1 2 415.465 2.960 50 0 HFAALO COC(=O)C[C@@H](c1ccncc1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000604418993 568493082 /nfs/dbraw/zinc/49/30/82/568493082.db2.gz DHNRHYLHJYCCSR-FQEVSTJZSA-N 1 2 420.465 2.994 50 0 HFAALO COC(=O)C[C@@H](c1ccncc1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000604418993 568493083 /nfs/dbraw/zinc/49/30/83/568493083.db2.gz DHNRHYLHJYCCSR-FQEVSTJZSA-N 1 2 420.465 2.994 50 0 HFAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288096 568597644 /nfs/dbraw/zinc/59/76/44/568597644.db2.gz XVUWCRFDRLHWEL-YWZLYKJASA-N 1 2 401.532 2.974 50 0 HFAALO C[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)n1cc[nH+]c1-c1ccccc1 ZINC000095430242 568608974 /nfs/dbraw/zinc/60/89/74/568608974.db2.gz QILKFQQVJBWQRW-WOJBJXKFSA-N 1 2 423.561 2.656 50 0 HFAALO O=C(CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1)Nc1ccccc1CO ZINC000095451283 568614441 /nfs/dbraw/zinc/61/44/41/568614441.db2.gz XCOBJZFESZXVJU-UHFFFAOYSA-N 1 2 403.504 2.550 50 0 HFAALO O=C(NCc1ccco1)c1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000095472253 568627639 /nfs/dbraw/zinc/62/76/39/568627639.db2.gz HKENKGSWIAFQCG-UHFFFAOYSA-N 1 2 405.458 2.959 50 0 HFAALO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000021155617 568673572 /nfs/dbraw/zinc/67/35/72/568673572.db2.gz VNFDNRQWXHXFIX-NRFANRHFSA-N 1 2 422.554 2.619 50 0 HFAALO Cn1cccc1[C@H](CNC(=O)C(=O)NCc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000021155617 568673574 /nfs/dbraw/zinc/67/35/74/568673574.db2.gz VNFDNRQWXHXFIX-NRFANRHFSA-N 1 2 422.554 2.619 50 0 HFAALO O=C1[C@H]([NH+]2CCN(CCOC3CCCCCC3)CC2)CCCN1C1CCOCC1 ZINC000095999664 568680499 /nfs/dbraw/zinc/68/04/99/568680499.db2.gz BOTRPVSJJTVKBQ-JOCHJYFZSA-N 1 2 407.599 2.513 50 0 HFAALO O=C1[C@@H]([NH+]2CCN(CCOC3CCCCCC3)CC2)CCCN1C1CCOCC1 ZINC000095999665 568680588 /nfs/dbraw/zinc/68/05/88/568680588.db2.gz BOTRPVSJJTVKBQ-QFIPXVFZSA-N 1 2 407.599 2.513 50 0 HFAALO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000229702733 568714967 /nfs/dbraw/zinc/71/49/67/568714967.db2.gz IXLKLBJMTHNSJV-KZNAEPCWSA-N 1 2 420.985 2.789 50 0 HFAALO Cc1[nH+]c(CC(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccccc1F ZINC000096316990 568726320 /nfs/dbraw/zinc/72/63/20/568726320.db2.gz IVNOUQIQXRWZBY-UHFFFAOYSA-N 1 2 420.554 2.795 50 0 HFAALO Cc1ccc(Cc2c(C)[nH+]c(CC(C)C)nc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096317324 568726460 /nfs/dbraw/zinc/72/64/60/568726460.db2.gz ZUASXDJCKJVFHM-UHFFFAOYSA-N 1 2 416.591 2.964 50 0 HFAALO O=S(=O)(c1cc(-c2noc(C3CC3)n2)cs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000021702285 568741836 /nfs/dbraw/zinc/74/18/36/568741836.db2.gz VKJUIEVUHZFJGF-UHFFFAOYSA-N 1 2 417.516 2.581 50 0 HFAALO O=C(c1ccc2ncnc(N3CCCCC3)c2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096399962 568749303 /nfs/dbraw/zinc/74/93/03/568749303.db2.gz LNMBWCGYBNGQHN-UHFFFAOYSA-N 1 2 402.502 2.978 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccc(F)cc1 ZINC000019079093 568751983 /nfs/dbraw/zinc/75/19/83/568751983.db2.gz IPIOFJNFBCSIKF-HNNXBMFYSA-N 1 2 403.464 2.632 50 0 HFAALO C[N@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000022358661 568766827 /nfs/dbraw/zinc/76/68/27/568766827.db2.gz XSDUJYMOKGIVRW-UHFFFAOYSA-N 1 2 401.850 2.599 50 0 HFAALO C[N@@H+](CCOc1ccc(Cl)cc1)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O ZINC000022358661 568766830 /nfs/dbraw/zinc/76/68/30/568766830.db2.gz XSDUJYMOKGIVRW-UHFFFAOYSA-N 1 2 401.850 2.599 50 0 HFAALO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000025411642 568767270 /nfs/dbraw/zinc/76/72/70/568767270.db2.gz YHVYNCJCNPLLJM-QFIPXVFZSA-N 1 2 406.574 2.850 50 0 HFAALO Cc1ccccc1N1CCN([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025411642 568767271 /nfs/dbraw/zinc/76/72/71/568767271.db2.gz YHVYNCJCNPLLJM-QFIPXVFZSA-N 1 2 406.574 2.850 50 0 HFAALO Cc1cc(NC(=O)CSc2nnc([C@@H](C)[NH+](C)C)n2Cc2ccccc2)no1 ZINC000002663329 568799656 /nfs/dbraw/zinc/79/96/56/568799656.db2.gz IOWSCODSLOWXSF-CQSZACIVSA-N 1 2 400.508 2.976 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1 ZINC000012537461 568846033 /nfs/dbraw/zinc/84/60/33/568846033.db2.gz HGSIJRDDWMECNH-UHFFFAOYSA-N 1 2 401.410 2.829 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012557414 568856105 /nfs/dbraw/zinc/85/61/05/568856105.db2.gz ACWDRLCEQCAGJX-OAQYLSRUSA-N 1 2 407.514 2.944 50 0 HFAALO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1=O ZINC000012593986 568868598 /nfs/dbraw/zinc/86/85/98/568868598.db2.gz DOOIIMUBMHWATF-XXBNENTESA-N 1 2 421.541 2.745 50 0 HFAALO CCc1c(C(=O)NCCCn2cc[nH+]c2)c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000299785665 568875340 /nfs/dbraw/zinc/87/53/40/568875340.db2.gz LFQRVFICPBGVGW-UHFFFAOYSA-N 1 2 408.502 2.793 50 0 HFAALO CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1C[N@H+](CCO)Cc1ccccc1 ZINC000299794694 568876187 /nfs/dbraw/zinc/87/61/87/568876187.db2.gz MRPUPCINZDIFPY-UHFFFAOYSA-N 1 2 419.485 2.920 50 0 HFAALO CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1C[N@@H+](CCO)Cc1ccccc1 ZINC000299794694 568876189 /nfs/dbraw/zinc/87/61/89/568876189.db2.gz MRPUPCINZDIFPY-UHFFFAOYSA-N 1 2 419.485 2.920 50 0 HFAALO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000012733430 568923810 /nfs/dbraw/zinc/92/38/10/568923810.db2.gz XDFNKEUXCRDJQZ-UHFFFAOYSA-N 1 2 415.437 2.529 50 0 HFAALO C[N@H+](CCC(=O)NCCc1c[nH]c2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012743279 568930215 /nfs/dbraw/zinc/93/02/15/568930215.db2.gz VWQIZFCSVBNPRL-UHFFFAOYSA-N 1 2 403.486 2.585 50 0 HFAALO C[N@@H+](CCC(=O)NCCc1c[nH]c2ccccc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012743279 568930217 /nfs/dbraw/zinc/93/02/17/568930217.db2.gz VWQIZFCSVBNPRL-UHFFFAOYSA-N 1 2 403.486 2.585 50 0 HFAALO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccccc2)c1O ZINC000003985260 568931185 /nfs/dbraw/zinc/93/11/85/568931185.db2.gz GIUBVIVPTHIAFT-HXUWFJFHSA-N 1 2 402.454 2.680 50 0 biogenic HFAALO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccccc2)c1O ZINC000003985260 568931188 /nfs/dbraw/zinc/93/11/88/568931188.db2.gz GIUBVIVPTHIAFT-HXUWFJFHSA-N 1 2 402.454 2.680 50 0 biogenic HFAALO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000012745681 568931462 /nfs/dbraw/zinc/93/14/62/568931462.db2.gz CYEDHJSVJSJLBG-PMACEKPBSA-N 1 2 409.486 2.961 50 0 HFAALO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)c(OC)c1 ZINC000012745681 568931465 /nfs/dbraw/zinc/93/14/65/568931465.db2.gz CYEDHJSVJSJLBG-PMACEKPBSA-N 1 2 409.486 2.961 50 0 HFAALO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@H+](CC)c2cccc(C)c2)C1 ZINC000004057162 568936522 /nfs/dbraw/zinc/93/65/22/568936522.db2.gz DGWNGMNNSCTLCW-IBGZPJMESA-N 1 2 409.596 2.779 50 0 HFAALO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCC[N@@H+](CC)c2cccc(C)c2)C1 ZINC000004057162 568936524 /nfs/dbraw/zinc/93/65/24/568936524.db2.gz DGWNGMNNSCTLCW-IBGZPJMESA-N 1 2 409.596 2.779 50 0 HFAALO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1COc2ccccc2O1 ZINC000012752407 568941756 /nfs/dbraw/zinc/94/17/56/568941756.db2.gz VFCSJENWYOSAFH-OAHLLOKOSA-N 1 2 413.865 2.631 50 0 HFAALO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1COc2ccccc2O1 ZINC000012752407 568941758 /nfs/dbraw/zinc/94/17/58/568941758.db2.gz VFCSJENWYOSAFH-OAHLLOKOSA-N 1 2 413.865 2.631 50 0 HFAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnc(N(C)C)s2)C[C@H]1CCO ZINC000104362136 569008346 /nfs/dbraw/zinc/00/83/46/569008346.db2.gz VTVGWVRXKWMLKM-GOSISDBHSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cnc(N(C)C)s2)C[C@H]1CCO ZINC000104362136 569008347 /nfs/dbraw/zinc/00/83/47/569008347.db2.gz VTVGWVRXKWMLKM-GOSISDBHSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccccc1CN1CC[N@H+](Cc2cnc(N(C)C)s2)C[C@H]1CCO ZINC000104362136 569008348 /nfs/dbraw/zinc/00/83/48/569008348.db2.gz VTVGWVRXKWMLKM-GOSISDBHSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cnc(N(C)C)s2)C[C@H]1CCO ZINC000104362136 569008349 /nfs/dbraw/zinc/00/83/49/569008349.db2.gz VTVGWVRXKWMLKM-GOSISDBHSA-N 1 2 404.580 2.677 50 0 HFAALO Cc1nc(C)c(-c2nnc(SCC(=O)N3CCN(c4cccc[nH+]4)CC3)o2)s1 ZINC000012915382 569022504 /nfs/dbraw/zinc/02/25/04/569022504.db2.gz DJVNIHXPYYXHFH-UHFFFAOYSA-N 1 2 416.532 2.646 50 0 HFAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(C)=O)c(OC)c1 ZINC000015953783 569024615 /nfs/dbraw/zinc/02/46/15/569024615.db2.gz NPCAMNVWKAEMHK-CIAFKFPVSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(C)=O)c(OC)c1 ZINC000015953783 569024616 /nfs/dbraw/zinc/02/46/16/569024616.db2.gz NPCAMNVWKAEMHK-CIAFKFPVSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](c1ccccc1)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015958489 569024733 /nfs/dbraw/zinc/02/47/33/569024733.db2.gz KQQZDUAZOJYPHG-YGWSKSRPSA-N 1 2 423.472 2.980 50 0 biogenic HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)CC1 ZINC000035361631 569033681 /nfs/dbraw/zinc/03/36/81/569033681.db2.gz PYUOUSMBXRLVSK-UHFFFAOYSA-N 1 2 424.526 2.666 50 0 HFAALO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000012979525 569042714 /nfs/dbraw/zinc/04/27/14/569042714.db2.gz CFKAKJGUGIWNSJ-FQEVSTJZSA-N 1 2 401.532 2.696 50 0 HFAALO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000012979525 569042715 /nfs/dbraw/zinc/04/27/15/569042715.db2.gz CFKAKJGUGIWNSJ-FQEVSTJZSA-N 1 2 401.532 2.696 50 0 HFAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)CCCc2ccccc2)C[C@@H](C)O1 ZINC000035590461 569045413 /nfs/dbraw/zinc/04/54/13/569045413.db2.gz ADQVYNYGMVSSPQ-QZTJIDSGSA-N 1 2 422.533 2.579 50 0 HFAALO CCc1ccccc1NC(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000013016795 569050925 /nfs/dbraw/zinc/05/09/25/569050925.db2.gz GYOUQKHYUIIWIM-UHFFFAOYSA-N 1 2 407.561 2.692 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000245326903 569055875 /nfs/dbraw/zinc/05/58/75/569055875.db2.gz NCPXALZWXBXALK-TUFLPTIASA-N 1 2 404.466 2.839 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000245326903 569055876 /nfs/dbraw/zinc/05/58/76/569055876.db2.gz NCPXALZWXBXALK-TUFLPTIASA-N 1 2 404.466 2.839 50 0 HFAALO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000054146306 569059851 /nfs/dbraw/zinc/05/98/51/569059851.db2.gz DKMSYJQKGINLEE-FQEVSTJZSA-N 1 2 401.532 2.688 50 0 HFAALO COc1ccccc1C(=O)N1CC[NH+]([C@@H](C(=O)NCC(C)C)C2CCCC2)CC1 ZINC000036251521 569119992 /nfs/dbraw/zinc/11/99/92/569119992.db2.gz SFTCEYXQUQYBBV-OAQYLSRUSA-N 1 2 401.551 2.784 50 0 HFAALO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2cc1O ZINC000019369975 569124453 /nfs/dbraw/zinc/12/44/53/569124453.db2.gz VNHTWZJYWKBAKH-UHFFFAOYSA-N 1 2 408.454 2.854 50 0 biogenic HFAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1O ZINC000019369975 569124455 /nfs/dbraw/zinc/12/44/55/569124455.db2.gz VNHTWZJYWKBAKH-UHFFFAOYSA-N 1 2 408.454 2.854 50 0 biogenic HFAALO O=C(c1cc(=O)c(OCc2ccccc2F)co1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036357219 569148836 /nfs/dbraw/zinc/14/88/36/569148836.db2.gz YWKPNXTUUDPUSA-UHFFFAOYSA-N 1 2 409.417 2.715 50 0 HFAALO CCn1nc(C)c(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)c1C ZINC000036614854 569206804 /nfs/dbraw/zinc/20/68/04/569206804.db2.gz ICGUWEKYVRWKBY-UHFFFAOYSA-N 1 2 413.547 2.887 50 0 HFAALO O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000065255167 569207674 /nfs/dbraw/zinc/20/76/74/569207674.db2.gz JTVCZXJIGIZHQL-UHFFFAOYSA-N 1 2 403.845 2.808 50 0 HFAALO COC(=O)C[C@H](c1cccnc1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730883 569212098 /nfs/dbraw/zinc/21/20/98/569212098.db2.gz AUIRZZZABJSTDS-HXUWFJFHSA-N 1 2 420.465 2.994 50 0 biogenic HFAALO COC(=O)C[C@H](c1cccnc1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730883 569212099 /nfs/dbraw/zinc/21/20/99/569212099.db2.gz AUIRZZZABJSTDS-HXUWFJFHSA-N 1 2 420.465 2.994 50 0 biogenic HFAALO COC(=O)C[C@@H](c1cccnc1)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730882 569212118 /nfs/dbraw/zinc/21/21/18/569212118.db2.gz AUIRZZZABJSTDS-FQEVSTJZSA-N 1 2 420.465 2.994 50 0 biogenic HFAALO COC(=O)C[C@@H](c1cccnc1)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730882 569212120 /nfs/dbraw/zinc/21/21/20/569212120.db2.gz AUIRZZZABJSTDS-FQEVSTJZSA-N 1 2 420.465 2.994 50 0 biogenic HFAALO CCCNc1cc(N2CCC(CCC(=O)NCc3c(C)nn(C)c3C)CC2)nc[nH+]1 ZINC000065274210 569214951 /nfs/dbraw/zinc/21/49/51/569214951.db2.gz TZMWIYKJLFDCKJ-UHFFFAOYSA-N 1 2 413.570 2.962 50 0 HFAALO CCCNc1cc(N2CCC(CCC(=O)NCc3c(C)nn(C)c3C)CC2)[nH+]cn1 ZINC000065274210 569214952 /nfs/dbraw/zinc/21/49/52/569214952.db2.gz TZMWIYKJLFDCKJ-UHFFFAOYSA-N 1 2 413.570 2.962 50 0 HFAALO Clc1ccc(Cn2ncc3c2ncnc3NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000036729323 569225598 /nfs/dbraw/zinc/22/55/98/569225598.db2.gz JMNQIECYINAQSA-UHFFFAOYSA-N 1 2 407.305 2.926 50 0 HFAALO COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000007286604 569232024 /nfs/dbraw/zinc/23/20/24/569232024.db2.gz WNGMHWNAWPDXGD-CQSZACIVSA-N 1 2 414.487 2.879 50 0 HFAALO O=C(C[NH+]1CCN(c2cc(F)cc(F)c2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000065607782 569237471 /nfs/dbraw/zinc/23/74/71/569237471.db2.gz KZUPXBRCVCCFPV-SFHVURJKSA-N 1 2 414.500 2.730 50 0 HFAALO Cc1n[nH]cc1C[N@H+](Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170613051 569246640 /nfs/dbraw/zinc/24/66/40/569246640.db2.gz GKHUUEHFPHMZEP-QGZVFWFLSA-N 1 2 415.542 2.882 50 0 HFAALO Cc1n[nH]cc1C[N@@H+](Cc1nccc(N)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000170613051 569246641 /nfs/dbraw/zinc/24/66/41/569246641.db2.gz GKHUUEHFPHMZEP-QGZVFWFLSA-N 1 2 415.542 2.882 50 0 HFAALO CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000017522092 569292527 /nfs/dbraw/zinc/29/25/27/569292527.db2.gz WHUBEIZSKYSAMW-GOSISDBHSA-N 1 2 417.462 2.804 50 0 HFAALO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(OC)ccc2Br)CC1 ZINC000252537589 569293083 /nfs/dbraw/zinc/29/30/83/569293083.db2.gz LRRMJLHUFJJYAY-UHFFFAOYSA-N 1 2 405.358 2.752 50 0 HFAALO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000007681149 569300404 /nfs/dbraw/zinc/30/04/04/569300404.db2.gz XXVLOCQBDZRBAB-KRWDZBQOSA-N 1 2 422.529 2.879 50 0 HFAALO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000007681149 569300405 /nfs/dbraw/zinc/30/04/05/569300405.db2.gz XXVLOCQBDZRBAB-KRWDZBQOSA-N 1 2 422.529 2.879 50 0 HFAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCSCC1 ZINC000002298521 569369611 /nfs/dbraw/zinc/36/96/11/569369611.db2.gz QPEUYVXJTQICHT-UHFFFAOYSA-N 1 2 412.309 2.704 50 0 HFAALO CCOC(=O)c1sc2[nH]c(C[NH+]3CCCCC3)nc(=NN3CCOCC3)c2c1C ZINC000013038362 569407719 /nfs/dbraw/zinc/40/77/19/569407719.db2.gz SXHREHLDRBONIA-UHFFFAOYSA-N 1 2 419.551 2.821 50 0 HFAALO Cc1c(O)ccc2c(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc12 ZINC000019296346 569414599 /nfs/dbraw/zinc/41/45/99/569414599.db2.gz HKCKVTDFGSVSOU-UHFFFAOYSA-N 1 2 408.454 2.854 50 0 biogenic HFAALO Cc1c(O)ccc2c(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc12 ZINC000019296346 569414601 /nfs/dbraw/zinc/41/46/01/569414601.db2.gz HKCKVTDFGSVSOU-UHFFFAOYSA-N 1 2 408.454 2.854 50 0 biogenic HFAALO CCOC(=O)c1c(C)c2ccccc2nc1N1CC[NH+](CC(=O)N[C@H](C)CC)CC1 ZINC000079014882 569423767 /nfs/dbraw/zinc/42/37/67/569423767.db2.gz WSVBCUPMIKNHSR-MRXNPFEDSA-N 1 2 412.534 2.757 50 0 HFAALO CCOC(=O)c1c(C)c2ccccc2nc1N1CC[NH+](CC(=O)N[C@@H](C)CC)CC1 ZINC000079014885 569423790 /nfs/dbraw/zinc/42/37/90/569423790.db2.gz WSVBCUPMIKNHSR-INIZCTEOSA-N 1 2 412.534 2.757 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285854 571064543 /nfs/dbraw/zinc/06/45/43/571064543.db2.gz GZJKLJDWZFBNRX-HXUWFJFHSA-N 1 2 417.506 2.607 50 0 HFAALO CC1=[NH+]N(Cc2ccc(Cl)cc2Cl)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000008706216 571103555 /nfs/dbraw/zinc/10/35/55/571103555.db2.gz CMUUSWHELJSKAR-SNVBAGLBSA-N 1 2 421.288 2.698 50 0 HFAALO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040072434 571152760 /nfs/dbraw/zinc/15/27/60/571152760.db2.gz XRWZADNPEUCKBN-AWEZNQCLSA-N 1 2 418.441 2.659 50 0 HFAALO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040072434 571152763 /nfs/dbraw/zinc/15/27/63/571152763.db2.gz XRWZADNPEUCKBN-AWEZNQCLSA-N 1 2 418.441 2.659 50 0 HFAALO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)c[nH+]2)C[C@@H](C)O1 ZINC000040106819 571167319 /nfs/dbraw/zinc/16/73/19/571167319.db2.gz NGBXHMFHNRAGED-LPMFXHHGSA-N 1 2 401.894 2.969 50 0 HFAALO COc1c(F)c(F)cc2c(=O)c(C(=O)NCCCn3cc[nH+]c3)cn(C3CC3)c21 ZINC000008992282 571207508 /nfs/dbraw/zinc/20/75/08/571207508.db2.gz FGVLTWPXOHJNQD-UHFFFAOYSA-N 1 2 402.401 2.640 50 0 HFAALO O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000009348055 571250311 /nfs/dbraw/zinc/25/03/11/571250311.db2.gz RMAQUNDUMIIBMU-GOSISDBHSA-N 1 2 408.845 2.601 50 0 biogenic HFAALO Cc1ccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(C)c(F)c4)CC3)NC2=O)cc1 ZINC000009526756 571265905 /nfs/dbraw/zinc/26/59/05/571265905.db2.gz KUKZHTCMQUDQQM-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 HFAALO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009604638 571273192 /nfs/dbraw/zinc/27/31/92/571273192.db2.gz IGCKGXJTCXXGPN-HNNXBMFYSA-N 1 2 422.485 2.765 50 0 HFAALO CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000032744928 519798409 /nfs/dbraw/zinc/79/84/09/519798409.db2.gz YRMZAFJYGZAEJQ-OAQYLSRUSA-N 1 2 415.559 2.750 50 0 HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000097880498 521868177 /nfs/dbraw/zinc/86/81/77/521868177.db2.gz CJNXLDPCRTWETP-SLFFLAALSA-N 1 2 414.594 2.698 50 0 HFAALO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)N1C(=O)c2ccccc2C1=O ZINC000019808908 524125083 /nfs/dbraw/zinc/12/50/83/524125083.db2.gz TVAHUHOHRAJUIA-HNNXBMFYSA-N 1 2 411.889 2.669 50 0 HFAALO COc1ccccc1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1[nH+]ccn1C ZINC000032842381 524798116 /nfs/dbraw/zinc/79/81/16/524798116.db2.gz RQUNSGHMXKOZRT-JTSKRJEESA-N 1 2 418.497 2.996 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000023805253 525954005 /nfs/dbraw/zinc/95/40/05/525954005.db2.gz VFYUJGKUKSSNTR-QFIPXVFZSA-N 1 2 407.514 2.925 50 0 HFAALO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000040162245 526136489 /nfs/dbraw/zinc/13/64/89/526136489.db2.gz WRJDPZDNNXQVFX-CYBMUJFWSA-N 1 2 406.939 2.645 50 0 HFAALO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000032850967 526176107 /nfs/dbraw/zinc/17/61/07/526176107.db2.gz GYJKJHJUCBOXIS-MRXNPFEDSA-N 1 2 409.538 2.983 50 0 HFAALO Cc1cnccc1C[N@@H+](C)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000020600601 526227338 /nfs/dbraw/zinc/22/73/38/526227338.db2.gz ZPYIQGMUUKPJPN-IYBDPMFKSA-N 1 2 413.547 2.981 50 0 HFAALO Cc1cnccc1C[N@H+](C)Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000020600601 526227339 /nfs/dbraw/zinc/22/73/39/526227339.db2.gz ZPYIQGMUUKPJPN-IYBDPMFKSA-N 1 2 413.547 2.981 50 0 HFAALO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cc(Br)ccc1O ZINC000030694011 526493235 /nfs/dbraw/zinc/49/32/35/526493235.db2.gz JXHWQENSZNRYBZ-KRWDZBQOSA-N 1 2 405.292 2.958 50 0 HFAALO O=C(CCSc1ccccc1)N1CC[NH+](CCNC(=O)c2ccsc2)CC1 ZINC000042382971 526543436 /nfs/dbraw/zinc/54/34/36/526543436.db2.gz SNDUPMCGZMNWPR-UHFFFAOYSA-N 1 2 403.573 2.805 50 0 HFAALO Cc1nc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nn1-c1ccc(F)cc1 ZINC000032810394 526641901 /nfs/dbraw/zinc/64/19/01/526641901.db2.gz JWXNYFIMPBGERC-UHFFFAOYSA-N 1 2 421.476 2.608 50 0 HFAALO O=C(c1ccc(-n2cc(Br)cn2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032826371 526655934 /nfs/dbraw/zinc/65/59/34/526655934.db2.gz MGPWVVQQZWHEAZ-UHFFFAOYSA-N 1 2 412.291 2.992 50 0 HFAALO O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)NCC[NH+]1CCCCC1 ZINC000040426175 526661618 /nfs/dbraw/zinc/66/16/18/526661618.db2.gz FENMGEQSEYUQEH-UHFFFAOYSA-N 1 2 423.439 2.798 50 0 HFAALO O=C(CNC(=O)c1ccccc1Br)N1CC[NH+](Cc2cccs2)CC1 ZINC000032731597 526864811 /nfs/dbraw/zinc/86/48/11/526864811.db2.gz QFOOXQPJQPMPLS-UHFFFAOYSA-N 1 2 422.348 2.585 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000027417570 527453475 /nfs/dbraw/zinc/45/34/75/527453475.db2.gz UKHXOHRMWHRIKZ-SFHVURJKSA-N 1 2 401.463 2.623 50 0 HFAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CNC(=O)/C=C\c1ccccc1 ZINC000096035312 535702005 /nfs/dbraw/zinc/70/20/05/535702005.db2.gz LTPQCVGLVXDEPA-QXMHVHEDSA-N 1 2 406.530 2.976 50 0 HFAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCCC(C)C)co3)CC2)cc1 ZINC000034678239 557366325 /nfs/dbraw/zinc/36/63/25/557366325.db2.gz XUHKUCJMIBETEJ-UHFFFAOYSA-N 1 2 400.523 2.777 50 0 HFAALO CC(C)CCN(C[C@@H]1C[N@H+](C[C@H](O)COC(C)C)CCO1)C(=O)c1ccccc1 ZINC000034685525 557388233 /nfs/dbraw/zinc/38/82/33/557388233.db2.gz CKKPDCNYBMFWCQ-VXKWHMMOSA-N 1 2 406.567 2.662 50 0 HFAALO CC(C)CCN(C[C@@H]1C[N@@H+](C[C@H](O)COC(C)C)CCO1)C(=O)c1ccccc1 ZINC000034685525 557388234 /nfs/dbraw/zinc/38/82/34/557388234.db2.gz CKKPDCNYBMFWCQ-VXKWHMMOSA-N 1 2 406.567 2.662 50 0 HFAALO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3Sc3ccccc3)C2=O)CC1 ZINC000004737137 557589455 /nfs/dbraw/zinc/58/94/55/557589455.db2.gz WJQMDYUQHGSZNX-GOSISDBHSA-N 1 2 409.511 2.667 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697183 557783966 /nfs/dbraw/zinc/78/39/66/557783966.db2.gz BCUGMHMJCIGUMB-HXUWFJFHSA-N 1 2 417.481 2.885 50 0 HFAALO O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907349 557851634 /nfs/dbraw/zinc/85/16/34/557851634.db2.gz QHTVWWRZYBKTDO-JOCHJYFZSA-N 1 2 417.509 2.854 50 0 HFAALO O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907349 557851636 /nfs/dbraw/zinc/85/16/36/557851636.db2.gz QHTVWWRZYBKTDO-JOCHJYFZSA-N 1 2 417.509 2.854 50 0 HFAALO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(CC[NH+]2CCOCC2)CO4)cc1 ZINC000022918632 558262860 /nfs/dbraw/zinc/26/28/60/558262860.db2.gz QLEWTKNKJVQBFB-UHFFFAOYSA-N 1 2 422.481 2.953 50 0 HFAALO Nc1c(C(=O)NCC[NH+]2CCOCC2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000019994438 558317632 /nfs/dbraw/zinc/31/76/32/558317632.db2.gz VELAGLOHNMRGMT-UHFFFAOYSA-N 1 2 422.533 2.734 50 0 HFAALO COc1ccc2[nH]cc(C(=O)CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020439998 558363599 /nfs/dbraw/zinc/36/35/99/558363599.db2.gz ZWDHVPICFNGHFA-UHFFFAOYSA-N 1 2 407.470 2.906 50 0 HFAALO CCCS(=O)(=O)c1ncc(C[N@H+](C)CCc2ccccc2)n1C[C@H]1CCCO1 ZINC000020877779 558419601 /nfs/dbraw/zinc/41/96/01/558419601.db2.gz BJJFPAGFUZAMNK-HXUWFJFHSA-N 1 2 405.564 2.920 50 0 HFAALO CCCS(=O)(=O)c1ncc(C[N@@H+](C)CCc2ccccc2)n1C[C@H]1CCCO1 ZINC000020877779 558419603 /nfs/dbraw/zinc/41/96/03/558419603.db2.gz BJJFPAGFUZAMNK-HXUWFJFHSA-N 1 2 405.564 2.920 50 0 HFAALO C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000020992267 558426231 /nfs/dbraw/zinc/42/62/31/558426231.db2.gz DKAMZZGTLSLPJV-CQSZACIVSA-N 1 2 412.444 2.501 50 0 HFAALO C[C@@H](NC(=O)c1cccnc1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1F)CC2 ZINC000020992267 558426233 /nfs/dbraw/zinc/42/62/33/558426233.db2.gz DKAMZZGTLSLPJV-CQSZACIVSA-N 1 2 412.444 2.501 50 0 HFAALO COC(=O)c1ccc(-c2noc(CN3CCCC[C@H]3CC[NH+]3CCOCC3)n2)cc1 ZINC000012713786 558454170 /nfs/dbraw/zinc/45/41/70/558454170.db2.gz SDEWYLQFUJWZEI-IBGZPJMESA-N 1 2 414.506 2.600 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1OC ZINC000022095510 558463437 /nfs/dbraw/zinc/46/34/37/558463437.db2.gz UUSMPSMJNKXCFH-KRWDZBQOSA-N 1 2 417.575 2.630 50 0 HFAALO COc1ccc(CN2CC[NH+]([C@@H](C)C(=O)NCCc3cccs3)CC2)cc1OC ZINC000022095510 558463440 /nfs/dbraw/zinc/46/34/40/558463440.db2.gz UUSMPSMJNKXCFH-KRWDZBQOSA-N 1 2 417.575 2.630 50 0 HFAALO CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[NH+]1CCOCC1 ZINC000012937216 558486731 /nfs/dbraw/zinc/48/67/31/558486731.db2.gz OVUWHSNGAZIZHP-IBGZPJMESA-N 1 2 414.525 2.977 50 0 HFAALO C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1=O ZINC000012943942 558487628 /nfs/dbraw/zinc/48/76/28/558487628.db2.gz GPYNDMMXSRNUIP-LPHOPBHVSA-N 1 2 411.502 2.908 50 0 HFAALO S=c1n(-c2ccccc2)cnn1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022941460 558527816 /nfs/dbraw/zinc/52/78/16/558527816.db2.gz IWVJQIXHYKIGBQ-UHFFFAOYSA-N 1 2 409.515 2.907 50 0 HFAALO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 ZINC000013611699 558548741 /nfs/dbraw/zinc/54/87/41/558548741.db2.gz UUISCHRTVBITKG-QGZVFWFLSA-N 1 2 410.518 2.857 50 0 HFAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OC(F)F ZINC000024045764 558586303 /nfs/dbraw/zinc/58/63/03/558586303.db2.gz XARGPVQAWBKUSX-UHFFFAOYSA-N 1 2 420.412 2.983 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000024061006 558587128 /nfs/dbraw/zinc/58/71/28/558587128.db2.gz ODKGSZHOVIZVLN-UHFFFAOYSA-N 1 2 408.502 2.727 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000024193331 558591705 /nfs/dbraw/zinc/59/17/05/558591705.db2.gz QJUIPVHSAJGIQF-UHFFFAOYSA-N 1 2 412.965 2.806 50 0 HFAALO CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000024379650 558596517 /nfs/dbraw/zinc/59/65/17/558596517.db2.gz MGESZJBWWOOVPB-UHFFFAOYSA-N 1 2 417.550 2.782 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000024527806 558600056 /nfs/dbraw/zinc/60/00/56/558600056.db2.gz HQUUKISGBFDQRK-UHFFFAOYSA-N 1 2 406.486 2.922 50 0 HFAALO Cc1nc2ccccc2n1CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024572802 558601481 /nfs/dbraw/zinc/60/14/81/558601481.db2.gz LCZVNBCDEHIDSC-UHFFFAOYSA-N 1 2 407.518 2.676 50 0 HFAALO COc1cc([C@@]2(C)NC(=O)N(C[N@H+](C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000014188789 558632073 /nfs/dbraw/zinc/63/20/73/558632073.db2.gz FTYLPWJOEDVOSQ-JOCHJYFZSA-N 1 2 413.474 2.569 50 0 HFAALO COc1cc([C@@]2(C)NC(=O)N(C[N@@H+](C)Cc3ccccc3)C2=O)cc(OC)c1OC ZINC000014188789 558632076 /nfs/dbraw/zinc/63/20/76/558632076.db2.gz FTYLPWJOEDVOSQ-JOCHJYFZSA-N 1 2 413.474 2.569 50 0 HFAALO Cc1ccc(CNC(=O)c2nnc(CSc3[nH+]cnc4c3cnn4C)s2)cc1 ZINC000026120109 558655680 /nfs/dbraw/zinc/65/56/80/558655680.db2.gz BNLSZYYAXMHDJR-UHFFFAOYSA-N 1 2 411.516 2.746 50 0 HFAALO COc1ccc(-n2cnnc2SCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000026926996 558667218 /nfs/dbraw/zinc/66/72/18/558667218.db2.gz LJSFPGOYFHQHMA-UHFFFAOYSA-N 1 2 424.530 2.680 50 0 HFAALO CC(C)(CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[NH+]1CCOCC1 ZINC000028287243 558694760 /nfs/dbraw/zinc/69/47/60/558694760.db2.gz FWNOCBNEJLPBTK-UHFFFAOYSA-N 1 2 408.296 2.945 50 0 HFAALO Cc1cc(C)cc(C[N@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000015006035 558699121 /nfs/dbraw/zinc/69/91/21/558699121.db2.gz UJUPKAQMAJLZFF-UHFFFAOYSA-N 1 2 400.544 2.812 50 0 HFAALO Cc1cc(C)cc(C[N@@H+]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)c1 ZINC000015006035 558699122 /nfs/dbraw/zinc/69/91/22/558699122.db2.gz UJUPKAQMAJLZFF-UHFFFAOYSA-N 1 2 400.544 2.812 50 0 HFAALO C[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@@H](c2ccccc2)C1 ZINC000029785765 558721121 /nfs/dbraw/zinc/72/11/21/558721121.db2.gz SXZJFOJVUFKDIF-OAQYLSRUSA-N 1 2 413.543 2.504 50 0 HFAALO C[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@@H](c2ccccc2)C1 ZINC000029785765 558721123 /nfs/dbraw/zinc/72/11/23/558721123.db2.gz SXZJFOJVUFKDIF-OAQYLSRUSA-N 1 2 413.543 2.504 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000004584876 558780223 /nfs/dbraw/zinc/78/02/23/558780223.db2.gz DEXSSAVMFOGUIM-MRXNPFEDSA-N 1 2 400.504 2.987 50 0 HFAALO COc1ccc([C@H](NC(=O)CN2C(=O)CSc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000016475964 558793438 /nfs/dbraw/zinc/79/34/38/558793438.db2.gz YLIXMGSYOCNXGT-NRFANRHFSA-N 1 2 422.510 2.773 50 0 HFAALO O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000048370758 558844759 /nfs/dbraw/zinc/84/47/59/558844759.db2.gz OKUNQERNJQFHIW-JXMROGBWSA-N 1 2 414.509 2.768 50 0 HFAALO COc1ccc(F)c(C[N@@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000019221377 558851940 /nfs/dbraw/zinc/85/19/40/558851940.db2.gz PBGITDJTIKUAKX-IBGZPJMESA-N 1 2 418.509 2.920 50 0 HFAALO COc1ccc(F)c(C[N@H+]2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](CCO)C2)c1 ZINC000019221377 558851941 /nfs/dbraw/zinc/85/19/41/558851941.db2.gz PBGITDJTIKUAKX-IBGZPJMESA-N 1 2 418.509 2.920 50 0 HFAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000019223870 558852453 /nfs/dbraw/zinc/85/24/53/558852453.db2.gz HBHGNRYINAEWPJ-ZDUSSCGKSA-N 1 2 401.417 2.699 50 0 HFAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1c(F)cccc1F)CC2 ZINC000019223870 558852457 /nfs/dbraw/zinc/85/24/57/558852457.db2.gz HBHGNRYINAEWPJ-ZDUSSCGKSA-N 1 2 401.417 2.699 50 0 HFAALO COc1ccc2c(c1)occ(Oc1ccc(C(=O)NCC[NH+]3CCOCC3)cc1)c2=O ZINC000013688522 558855196 /nfs/dbraw/zinc/85/51/96/558855196.db2.gz PYMIWRQTARJZCG-UHFFFAOYSA-N 1 2 424.453 2.656 50 0 HFAALO COc1ccccc1N1CC[NH+]([C@H]2CCCN(S(=O)(=O)c3ccsc3)C2)CC1 ZINC000055212024 558876203 /nfs/dbraw/zinc/87/62/03/558876203.db2.gz UYRLLCHXQKUJMY-KRWDZBQOSA-N 1 2 421.588 2.732 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000055575515 558883065 /nfs/dbraw/zinc/88/30/65/558883065.db2.gz HQXVFCUVIYURRC-SFHVURJKSA-N 1 2 417.554 2.836 50 0 HFAALO Cc1cccn2c(C[N@@H+]3CC=C[C@@H]3CO)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071745592 558908425 /nfs/dbraw/zinc/90/84/25/558908425.db2.gz LLWMWOVKWBDWKF-HXUWFJFHSA-N 1 2 404.514 2.690 50 0 HFAALO Cc1cccn2c(C[N@H+]3CC=C[C@@H]3CO)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071745592 558908427 /nfs/dbraw/zinc/90/84/27/558908427.db2.gz LLWMWOVKWBDWKF-HXUWFJFHSA-N 1 2 404.514 2.690 50 0 HFAALO CC(=O)N[C@H]1CC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000071759412 558909861 /nfs/dbraw/zinc/90/98/61/558909861.db2.gz FMUNPEQXAHMGMB-INIZCTEOSA-N 1 2 403.552 2.513 50 0 HFAALO CC(=O)N[C@H]1CC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000071759412 558909863 /nfs/dbraw/zinc/90/98/63/558909863.db2.gz FMUNPEQXAHMGMB-INIZCTEOSA-N 1 2 403.552 2.513 50 0 HFAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000060099628 558941012 /nfs/dbraw/zinc/94/10/12/558941012.db2.gz SFQCSXKDOUKCNK-HNNXBMFYSA-N 1 2 404.536 2.550 50 0 HFAALO COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000060099628 558941014 /nfs/dbraw/zinc/94/10/14/558941014.db2.gz SFQCSXKDOUKCNK-HNNXBMFYSA-N 1 2 404.536 2.550 50 0 HFAALO Cc1cc(N2CCC([C@@]3(c4cccnc4)NC(=O)NC3=O)CC2)[nH+]c2ccccc12 ZINC000067803336 558993156 /nfs/dbraw/zinc/99/31/56/558993156.db2.gz ACXSUOPXOHAFQF-QHCPKHFHSA-N 1 2 401.470 2.890 50 0 HFAALO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000096833136 558993726 /nfs/dbraw/zinc/99/37/26/558993726.db2.gz IKDVNOMGCYPWQJ-KRWDZBQOSA-N 1 2 414.937 2.601 50 0 HFAALO CCN1c2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097151864 558997572 /nfs/dbraw/zinc/99/75/72/558997572.db2.gz GEZKUUNRUPGXKY-JOCHJYFZSA-N 1 2 419.529 2.836 50 0 HFAALO COCc1noc(C[NH+]2CCC3(CN(C[C@@H](C)c4ccccc4)C(=O)O3)CC2)n1 ZINC000077520252 559008172 /nfs/dbraw/zinc/00/81/72/559008172.db2.gz NRNATKYDFOQHEJ-MRXNPFEDSA-N 1 2 400.479 2.807 50 0 HFAALO CCOC(=O)c1ccc(N2C(=O)C=C([NH2+]Nc3nc4ccccc4s3)C2O)cc1 ZINC000100118383 559130052 /nfs/dbraw/zinc/13/00/52/559130052.db2.gz VEMISNUMGCHTLT-HNNXBMFYSA-N 1 2 410.455 2.722 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cncc(Br)c3)CC2)c1 ZINC000014184553 559155111 /nfs/dbraw/zinc/15/51/11/559155111.db2.gz PSYDJAZRTUXBEB-UHFFFAOYSA-N 1 2 420.307 2.819 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000014612481 559171278 /nfs/dbraw/zinc/17/12/78/559171278.db2.gz TZNFGVJRQISOHK-NJNPRVFISA-N 1 2 415.442 2.733 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000014612481 559171279 /nfs/dbraw/zinc/17/12/79/559171279.db2.gz TZNFGVJRQISOHK-NJNPRVFISA-N 1 2 415.442 2.733 50 0 HFAALO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)OC)CC1 ZINC000004859752 559192794 /nfs/dbraw/zinc/19/27/94/559192794.db2.gz OPHCXSFZVWZSPX-AWEZNQCLSA-N 1 2 415.490 2.865 50 0 HFAALO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000100473161 559207155 /nfs/dbraw/zinc/20/71/55/559207155.db2.gz LAWQPMDPTDMMJH-NRFANRHFSA-N 1 2 411.933 2.828 50 0 HFAALO O=C1C[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1 ZINC000100473161 559207157 /nfs/dbraw/zinc/20/71/57/559207157.db2.gz LAWQPMDPTDMMJH-NRFANRHFSA-N 1 2 411.933 2.828 50 0 HFAALO O=C(Nc1cccc(S(=O)(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1)c1cncs1 ZINC000408520947 559215025 /nfs/dbraw/zinc/21/50/25/559215025.db2.gz CLIIUOMFWQHTHD-UHFFFAOYSA-N 1 2 417.516 2.687 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000409413856 559250869 /nfs/dbraw/zinc/25/08/69/559250869.db2.gz FPNLXMIVSFGFBY-QUCCMNQESA-N 1 2 417.469 2.531 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](CC)C(=O)NC)csc3C2)nc1 ZINC000426536233 559274666 /nfs/dbraw/zinc/27/46/66/559274666.db2.gz FMUZYEBCCNQZIV-GOSISDBHSA-N 1 2 400.548 2.518 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](CC)C(=O)NC)csc3C2)nc1 ZINC000426536233 559274667 /nfs/dbraw/zinc/27/46/67/559274667.db2.gz FMUZYEBCCNQZIV-GOSISDBHSA-N 1 2 400.548 2.518 50 0 HFAALO O=c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)nc2[nH]c(-c3ccc(F)cc3)nn21 ZINC000101841747 560801231 /nfs/dbraw/zinc/80/12/31/560801231.db2.gz CRBHWOLAOFBRIE-UHFFFAOYSA-N 1 2 422.439 2.685 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3CCC[N@@H+]32)cc1 ZINC000103522260 560842995 /nfs/dbraw/zinc/84/29/95/560842995.db2.gz MHWWPUGWPQVXBB-BQJUDKOJSA-N 1 2 404.466 2.839 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@@H]3CCC[N@H+]32)cc1 ZINC000103522260 560842997 /nfs/dbraw/zinc/84/29/97/560842997.db2.gz MHWWPUGWPQVXBB-BQJUDKOJSA-N 1 2 404.466 2.839 50 0 HFAALO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000104716595 560852933 /nfs/dbraw/zinc/85/29/33/560852933.db2.gz BEZHUKVBICSJMA-HOTGVXAUSA-N 1 2 408.424 2.521 50 0 HFAALO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000104716595 560852935 /nfs/dbraw/zinc/85/29/35/560852935.db2.gz BEZHUKVBICSJMA-HOTGVXAUSA-N 1 2 408.424 2.521 50 0 HFAALO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000106172285 560885030 /nfs/dbraw/zinc/88/50/30/560885030.db2.gz ZRMTXESZVCCSCS-AEFFLSMTSA-N 1 2 402.520 2.564 50 0 HFAALO COc1ccccc1C(=O)N1[C@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@@H]2CCCC[C@@H]21 ZINC000048128966 568432039 /nfs/dbraw/zinc/43/20/39/568432039.db2.gz SHTLINSDPSNVNV-UMGGQSCQSA-N 1 2 410.518 2.870 50 0 HFAALO CCN(CC)c1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)c[nH+]1 ZINC000048235063 568432725 /nfs/dbraw/zinc/43/27/25/568432725.db2.gz UNSQFZSNDLNBNG-UHFFFAOYSA-N 1 2 422.576 2.704 50 0 HFAALO CN(C)c1nc(Cl)c([C@H]2NC(=N)Nc3[nH+]c4cc5c(cc4n32)OCCCO5)s1 ZINC000048310462 568436696 /nfs/dbraw/zinc/43/66/96/568436696.db2.gz ICSHZINZSZKKOB-AWEZNQCLSA-N 1 2 419.898 2.870 50 0 HFAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1cccc(OC)c1)CC3 ZINC000049003274 568446287 /nfs/dbraw/zinc/44/62/87/568446287.db2.gz GNYVQQSZDUNGMF-UHFFFAOYSA-N 1 2 405.498 2.774 50 0 HFAALO CCc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1cccc(OC)c1)CC3 ZINC000049003274 568446288 /nfs/dbraw/zinc/44/62/88/568446288.db2.gz GNYVQQSZDUNGMF-UHFFFAOYSA-N 1 2 405.498 2.774 50 0 HFAALO C[N@H+](CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000049574732 568452197 /nfs/dbraw/zinc/45/21/97/568452197.db2.gz GVKAQKMACBWMJH-GHTZIAJQSA-N 1 2 416.543 2.805 50 0 HFAALO C[N@@H+](CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCc2ccccc21 ZINC000049574732 568452198 /nfs/dbraw/zinc/45/21/98/568452198.db2.gz GVKAQKMACBWMJH-GHTZIAJQSA-N 1 2 416.543 2.805 50 0 HFAALO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O ZINC000020102477 568587827 /nfs/dbraw/zinc/58/78/27/568587827.db2.gz FRDJGZHISRXNNQ-GOSISDBHSA-N 1 2 422.554 2.948 50 0 HFAALO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O ZINC000020102477 568587832 /nfs/dbraw/zinc/58/78/32/568587832.db2.gz FRDJGZHISRXNNQ-GOSISDBHSA-N 1 2 422.554 2.948 50 0 HFAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(n2nnc3ccsc3c2=O)CC1 ZINC000390832249 568592598 /nfs/dbraw/zinc/59/25/98/568592598.db2.gz YEWXGMAOPTUAEG-UHFFFAOYSA-N 1 2 420.498 2.575 50 0 HFAALO Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccnc1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308101 568598140 /nfs/dbraw/zinc/59/81/40/568598140.db2.gz ZYWCFCWRTVDPFW-OAQYLSRUSA-N 1 2 419.481 2.764 50 0 HFAALO C[C@H](C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)n1cc[nH+]c1-c1ccccc1 ZINC000095430243 568608995 /nfs/dbraw/zinc/60/89/95/568608995.db2.gz QILKFQQVJBWQRW-VQTJNVASSA-N 1 2 423.561 2.656 50 0 HFAALO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095474982 568629613 /nfs/dbraw/zinc/62/96/13/568629613.db2.gz GCMXWQASSMQPOL-UHFFFAOYSA-N 1 2 407.493 2.849 50 0 HFAALO Cc1cccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1C ZINC000020610744 568637126 /nfs/dbraw/zinc/63/71/26/568637126.db2.gz LRUHIBUMFNTJHA-HXUWFJFHSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO Cc1cc(C)c(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c(C)c1 ZINC000020610878 568637218 /nfs/dbraw/zinc/63/72/18/568637218.db2.gz CPZLZYNFXAWUIN-HXUWFJFHSA-N 1 2 416.481 2.873 50 0 biogenic HFAALO Cc1cccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c1C ZINC000020611820 568637521 /nfs/dbraw/zinc/63/75/21/568637521.db2.gz VQQTVKHWFWOGHY-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1cccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c1C ZINC000020611820 568637523 /nfs/dbraw/zinc/63/75/23/568637523.db2.gz VQQTVKHWFWOGHY-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO CC(C)Cn1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(CC(C)C)c1=O ZINC000020612376 568637558 /nfs/dbraw/zinc/63/75/58/568637558.db2.gz QTGZPFITSJCCAH-FQEVSTJZSA-N 1 2 410.518 2.744 50 0 biogenic HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2c(C)cccc2C)CC1 ZINC000020730335 568640873 /nfs/dbraw/zinc/64/08/73/568640873.db2.gz IENCJDZJPPSZBN-UHFFFAOYSA-N 1 2 418.607 2.645 50 0 HFAALO Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)cc1C ZINC000020757052 568641501 /nfs/dbraw/zinc/64/15/01/568641501.db2.gz KDIABRVWBLQVNH-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)cc1C ZINC000020757052 568641502 /nfs/dbraw/zinc/64/15/02/568641502.db2.gz KDIABRVWBLQVNH-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4n[nH]c5c4C[C@H](C)CC5)CC3)cc(=O)oc2c1 ZINC000020869478 568647389 /nfs/dbraw/zinc/64/73/89/568647389.db2.gz UOOLEDWLXHONHM-OAHLLOKOSA-N 1 2 420.513 2.907 50 0 HFAALO NC(=O)COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000012393280 568696461 /nfs/dbraw/zinc/69/64/61/568696461.db2.gz WQMJRYVJKNNARG-UHFFFAOYSA-N 1 2 421.419 2.528 50 0 HFAALO COCCn1c(CN(C)Cc2[nH]cc(C)[nH+]2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012434440 568722502 /nfs/dbraw/zinc/72/25/02/568722502.db2.gz NTVJNXKJSQVCHK-UHFFFAOYSA-N 1 2 423.583 2.690 50 0 HFAALO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000021648261 568728652 /nfs/dbraw/zinc/72/86/52/568728652.db2.gz BXMMFWYDJIJJMA-UHFFFAOYSA-N 1 2 403.465 2.884 50 0 HFAALO CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2NC(c3ccccc3)=NC2=[NH+]1 ZINC000000956662 568757756 /nfs/dbraw/zinc/75/77/56/568757756.db2.gz PJVOBJBVOXLENR-INIZCTEOSA-N 1 2 410.275 2.886 50 0 HFAALO COc1ccc(C(=O)NCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1OC ZINC000022290068 568766146 /nfs/dbraw/zinc/76/61/46/568766146.db2.gz ZHEYNOUKYXQEDP-UHFFFAOYSA-N 1 2 418.519 2.515 50 0 HFAALO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000025411637 568767247 /nfs/dbraw/zinc/76/72/47/568767247.db2.gz YHVYNCJCNPLLJM-JOCHJYFZSA-N 1 2 406.574 2.850 50 0 HFAALO Cc1ccccc1N1CCN([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025411637 568767248 /nfs/dbraw/zinc/76/72/48/568767248.db2.gz YHVYNCJCNPLLJM-JOCHJYFZSA-N 1 2 406.574 2.850 50 0 HFAALO CC[NH+]1CCN([C@H](c2ccc(OC)c(OC)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022458869 568768207 /nfs/dbraw/zinc/76/82/07/568768207.db2.gz RMNINQSNYCMFKZ-QGZVFWFLSA-N 1 2 417.535 2.549 50 0 HFAALO CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000052517141 568769012 /nfs/dbraw/zinc/76/90/12/568769012.db2.gz PETRTDAUWCHPTA-OAHLLOKOSA-N 1 2 414.531 2.674 50 0 HFAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057050689 568823688 /nfs/dbraw/zinc/82/36/88/568823688.db2.gz VWCUNJGKZZAENR-UHFFFAOYSA-N 1 2 422.485 2.724 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3cccc(C)c3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414234 568833331 /nfs/dbraw/zinc/83/33/31/568833331.db2.gz OKDICNULOVVLEX-QFIPXVFZSA-N 1 2 420.513 2.598 50 0 HFAALO COC(=O)C1C(C[N@@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414563 568833792 /nfs/dbraw/zinc/83/37/92/568833792.db2.gz VVFQTCVTHPTBKG-NRFANRHFSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1C(C[N@H+]2CCc3ccccc3C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414563 568833793 /nfs/dbraw/zinc/83/37/93/568833793.db2.gz VVFQTCVTHPTBKG-NRFANRHFSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1=C(C[N@@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414563 568833795 /nfs/dbraw/zinc/83/37/95/568833795.db2.gz VVFQTCVTHPTBKG-NRFANRHFSA-N 1 2 407.470 2.535 50 0 HFAALO COC(=O)C1=C(C[N@H+]2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414563 568833797 /nfs/dbraw/zinc/83/37/97/568833797.db2.gz VVFQTCVTHPTBKG-NRFANRHFSA-N 1 2 407.470 2.535 50 0 HFAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000057440581 568836884 /nfs/dbraw/zinc/83/68/84/568836884.db2.gz BMZDCQFDYVKYDU-LJQANCHMSA-N 1 2 423.513 2.649 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccccc1F ZINC000012547827 568850993 /nfs/dbraw/zinc/85/09/93/568850993.db2.gz WBFWVYSAQKVOTA-JOCHJYFZSA-N 1 2 422.460 2.971 50 0 HFAALO COc1ccc([C@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c2[nH+]ccn2C)cc1 ZINC000012551409 568853666 /nfs/dbraw/zinc/85/36/66/568853666.db2.gz QEOPQUOMSLGNLO-NRFANRHFSA-N 1 2 417.469 2.504 50 0 HFAALO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000057672207 568858024 /nfs/dbraw/zinc/85/80/24/568858024.db2.gz HZMJPZCATOYTSO-QGZVFWFLSA-N 1 2 402.539 2.754 50 0 HFAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)NC[C@H]1CCCO1)CC2 ZINC000012599945 568869660 /nfs/dbraw/zinc/86/96/60/568869660.db2.gz IIGWCBHLUMZOKX-DVECYGJZSA-N 1 2 410.514 2.947 50 0 HFAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)NC[C@H]1CCCO1)CC2 ZINC000012599945 568869661 /nfs/dbraw/zinc/86/96/61/568869661.db2.gz IIGWCBHLUMZOKX-DVECYGJZSA-N 1 2 410.514 2.947 50 0 HFAALO COc1ccc([C@H]2NC(=O)N(Cc3[nH+]cc(C)c(OC)c3C)C3=C2C(=O)OC3)cc1 ZINC000263615462 568910236 /nfs/dbraw/zinc/91/02/36/568910236.db2.gz CNKSYYBQPHYNPR-LJQANCHMSA-N 1 2 409.442 2.793 50 0 HFAALO Cc1ccc(CNC(=O)CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000084148841 568941139 /nfs/dbraw/zinc/94/11/39/568941139.db2.gz CGGSNKBPCQDNIL-UHFFFAOYSA-N 1 2 403.530 2.615 50 0 HFAALO Cc1ccc(CNC(=O)C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000084148841 568941141 /nfs/dbraw/zinc/94/11/41/568941141.db2.gz CGGSNKBPCQDNIL-UHFFFAOYSA-N 1 2 403.530 2.615 50 0 HFAALO CC[C@H](c1nnc(SCC(=O)NC[C@@H]2CCCO2)n1Cc1ccccc1)[NH+](C)C ZINC000004195230 568951121 /nfs/dbraw/zinc/95/11/21/568951121.db2.gz JBCJNEFNZROGIW-ZWKOTPCHSA-N 1 2 417.579 2.726 50 0 HFAALO C[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012785072 568959505 /nfs/dbraw/zinc/95/95/05/568959505.db2.gz UEUCKYCEUSHGGP-CQSZACIVSA-N 1 2 407.405 2.706 50 0 HFAALO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@@H+](CCN2CCNC2=O)C1 ZINC000085393525 568984929 /nfs/dbraw/zinc/98/49/29/568984929.db2.gz JNHIIEMRZXYRIX-UHFFFAOYSA-N 1 2 403.530 2.971 50 0 HFAALO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](CCN2CCNC2=O)C1 ZINC000085393525 568984932 /nfs/dbraw/zinc/98/49/32/568984932.db2.gz JNHIIEMRZXYRIX-UHFFFAOYSA-N 1 2 403.530 2.971 50 0 HFAALO O=C(C1CCN(c2nc3cccnc3s2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000015770081 568997451 /nfs/dbraw/zinc/99/74/51/568997451.db2.gz KYKPGHKJIWISMY-UHFFFAOYSA-N 1 2 408.531 2.652 50 0 HFAALO Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(N3CCOCC3)[nH+]c2)c(C)c1C ZINC000012922927 569023269 /nfs/dbraw/zinc/02/32/69/569023269.db2.gz XQTHPLDDEFCXBE-UHFFFAOYSA-N 1 2 403.548 2.939 50 0 HFAALO O=C(c1cc(-c2cccnc2)n[nH]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000035507952 569041029 /nfs/dbraw/zinc/04/10/29/569041029.db2.gz HPRGDNBMRFDEPS-UHFFFAOYSA-N 1 2 411.893 2.962 50 0 HFAALO COc1cc(C(=O)NCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000023127742 569047105 /nfs/dbraw/zinc/04/71/05/569047105.db2.gz AYVOIRPSMSZOGR-FQEVSTJZSA-N 1 2 400.475 2.516 50 0 HFAALO COc1cc(C(=O)NCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000023127742 569047106 /nfs/dbraw/zinc/04/71/06/569047106.db2.gz AYVOIRPSMSZOGR-FQEVSTJZSA-N 1 2 400.475 2.516 50 0 HFAALO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000025326481 569047743 /nfs/dbraw/zinc/04/77/43/569047743.db2.gz XHXQGNDKZKWBCG-RUJXFNLJSA-N 1 2 403.482 2.529 50 0 HFAALO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000012998787 569048906 /nfs/dbraw/zinc/04/89/06/569048906.db2.gz CKDODETXOPAHOE-UHFFFAOYSA-N 1 2 420.513 2.669 50 0 HFAALO O=C(c1cc(Br)ccc1O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013003767 569049379 /nfs/dbraw/zinc/04/93/79/569049379.db2.gz KGINRYXDLGRCHH-UHFFFAOYSA-N 1 2 419.275 2.841 50 0 HFAALO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000241693883 569054862 /nfs/dbraw/zinc/05/48/62/569054862.db2.gz QIOIKKSSXGHNAV-KKSFZXQISA-N 1 2 412.515 2.774 50 0 HFAALO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000241693883 569054863 /nfs/dbraw/zinc/05/48/63/569054863.db2.gz QIOIKKSSXGHNAV-KKSFZXQISA-N 1 2 412.515 2.774 50 0 HFAALO CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000089496625 569061169 /nfs/dbraw/zinc/06/11/69/569061169.db2.gz HHBBXIRMQPWDEU-UHFFFAOYSA-N 1 2 424.530 2.936 50 0 HFAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000035999986 569074853 /nfs/dbraw/zinc/07/48/53/569074853.db2.gz RFRVNSROEZNDLE-UHFFFAOYSA-N 1 2 423.469 2.969 50 0 HFAALO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000035999986 569074854 /nfs/dbraw/zinc/07/48/54/569074854.db2.gz RFRVNSROEZNDLE-UHFFFAOYSA-N 1 2 423.469 2.969 50 0 HFAALO CC[C@H](C)CN1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024576 569077645 /nfs/dbraw/zinc/07/76/45/569077645.db2.gz NASPXEWCEVURFL-HKUYNNGSSA-N 1 2 407.580 2.670 50 0 HFAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029096 569078233 /nfs/dbraw/zinc/07/82/33/569078233.db2.gz QKCNVCCZJQJUMS-RHSMWYFYSA-N 1 2 413.971 2.687 50 0 HFAALO C[C@@H](c1nc(-c2ccc3c(c2)nnn3CC[NH+]2CCOCC2)no1)c1ccccc1 ZINC000064761091 569091183 /nfs/dbraw/zinc/09/11/83/569091183.db2.gz QJPICOFKVCHAQV-MRXNPFEDSA-N 1 2 404.474 2.965 50 0 HFAALO O=C(NCc1ccccn1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036253400 569119866 /nfs/dbraw/zinc/11/98/66/569119866.db2.gz WDKULEPSONFHNY-JOCHJYFZSA-N 1 2 406.530 2.715 50 0 HFAALO CCC(=O)N1CC[NH+]([C@@H](C(=O)Nc2cc(OC)cc(OC)c2)C2CCCC2)CC1 ZINC000036311671 569133248 /nfs/dbraw/zinc/13/32/48/569133248.db2.gz BRARGPIRIWUGGT-OAQYLSRUSA-N 1 2 403.523 2.755 50 0 HFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)CC3 ZINC000065034943 569158486 /nfs/dbraw/zinc/15/84/86/569158486.db2.gz BNQZMAKNDSXWKN-UHFFFAOYSA-N 1 2 419.481 2.548 50 0 HFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)CC3 ZINC000065034943 569158487 /nfs/dbraw/zinc/15/84/87/569158487.db2.gz BNQZMAKNDSXWKN-UHFFFAOYSA-N 1 2 419.481 2.548 50 0 HFAALO Cn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2cccnc21 ZINC000065164745 569189390 /nfs/dbraw/zinc/18/93/90/569189390.db2.gz XIJBMPAYYDAZNP-UHFFFAOYSA-N 1 2 418.950 2.776 50 0 HFAALO Cc1ccc(-c2cc3c(=O)n(Cc4noc(C[NH+]5CCCCC5)n4)ccn3n2)cc1 ZINC000065235786 569202429 /nfs/dbraw/zinc/20/24/29/569202429.db2.gz UTGRPZHKWNAHJG-UHFFFAOYSA-N 1 2 404.474 2.889 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccc(OC)cc1C)C2 ZINC000065265772 569212922 /nfs/dbraw/zinc/21/29/22/569212922.db2.gz GMXVFIFDSWDNII-DEOSSOPVSA-N 1 2 422.529 2.658 50 0 biogenic HFAALO CCc1ccccc1S(=O)(=O)N1CC[NH+]([C@]2(CC)CCN(C(=O)C(C)C)C2)CC1 ZINC000065292035 569217734 /nfs/dbraw/zinc/21/77/34/569217734.db2.gz XKJLNNGYMHFEOT-JOCHJYFZSA-N 1 2 421.607 2.592 50 0 HFAALO O=C(COC(=O)c1cc2c(s1)CCC2)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000036700236 569222691 /nfs/dbraw/zinc/22/26/91/569222691.db2.gz LWWXFESUADEQJZ-UHFFFAOYSA-N 1 2 402.491 2.877 50 0 HFAALO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCC[N@H+]3CCOC[C@@H]3C)c12 ZINC000170616659 569247558 /nfs/dbraw/zinc/24/75/58/569247558.db2.gz PEJOPRXBYCTFFU-ZDUSSCGKSA-N 1 2 400.504 2.883 50 0 HFAALO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCC[N@@H+]3CCOC[C@@H]3C)c12 ZINC000170616659 569247559 /nfs/dbraw/zinc/24/75/59/569247559.db2.gz PEJOPRXBYCTFFU-ZDUSSCGKSA-N 1 2 400.504 2.883 50 0 HFAALO Cc1cc(Oc2cc(N3CCN(CC[NH+]4CCOCC4)CC3)ncn2)ccc1Cl ZINC000037378344 569291665 /nfs/dbraw/zinc/29/16/65/569291665.db2.gz DJBNKUOIWNUWGB-UHFFFAOYSA-N 1 2 417.941 2.685 50 0 HFAALO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nnc(C[NH+]2CCCC2)o1 ZINC000007736974 569305035 /nfs/dbraw/zinc/30/50/35/569305035.db2.gz UPDSMRZYIWIDOK-ZDUSSCGKSA-N 1 2 401.492 2.521 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000252670363 569319230 /nfs/dbraw/zinc/31/92/30/569319230.db2.gz KINFFZRRZXVGPW-ANULTFPQSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000252670363 569319231 /nfs/dbraw/zinc/31/92/31/569319231.db2.gz KINFFZRRZXVGPW-ANULTFPQSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000252670363 569319232 /nfs/dbraw/zinc/31/92/32/569319232.db2.gz KINFFZRRZXVGPW-ANULTFPQSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)C(C)(C)C1 ZINC000252670363 569319233 /nfs/dbraw/zinc/31/92/33/569319233.db2.gz KINFFZRRZXVGPW-ANULTFPQSA-N 1 2 420.642 2.772 50 0 HFAALO Cc1cc(C)n(-c2ccc(-c3noc(-c4ccc(C[NH+]5CCOCC5)cn4)n3)cn2)n1 ZINC000253431036 569369701 /nfs/dbraw/zinc/36/97/01/569369701.db2.gz QBXIPMDGXQWQDP-UHFFFAOYSA-N 1 2 417.473 2.828 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000067649765 569398002 /nfs/dbraw/zinc/39/80/02/569398002.db2.gz JAAKDEFPUKZOLF-CJHOVAGGSA-N 1 2 416.525 2.731 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000067649765 569398003 /nfs/dbraw/zinc/39/80/03/569398003.db2.gz JAAKDEFPUKZOLF-CJHOVAGGSA-N 1 2 416.525 2.731 50 0 HFAALO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N[C@@H]1CCSC1=O ZINC000078970792 569422364 /nfs/dbraw/zinc/42/23/64/569422364.db2.gz ISPATLVIHCAAHS-CQSZACIVSA-N 1 2 418.346 2.792 50 0 HFAALO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N[C@@H]1CCSC1=O ZINC000078970792 569422366 /nfs/dbraw/zinc/42/23/66/569422366.db2.gz ISPATLVIHCAAHS-CQSZACIVSA-N 1 2 418.346 2.792 50 0 HFAALO CCCCNC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000067291462 571067396 /nfs/dbraw/zinc/06/73/96/571067396.db2.gz SIAIXWAVDWBTTK-UHFFFAOYSA-N 1 2 404.511 2.888 50 0 HFAALO CCCCNC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000067291462 571067398 /nfs/dbraw/zinc/06/73/98/571067398.db2.gz SIAIXWAVDWBTTK-UHFFFAOYSA-N 1 2 404.511 2.888 50 0 HFAALO Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040132327 571184619 /nfs/dbraw/zinc/18/46/19/571184619.db2.gz ZVDIOUMAKYNWDE-UHFFFAOYSA-N 1 2 423.492 2.719 50 0 HFAALO COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccoc2)[NH+]2CCSCC2)cc1 ZINC000244947629 571210688 /nfs/dbraw/zinc/21/06/88/571210688.db2.gz DTWXFQRNVLLPAG-IBGZPJMESA-N 1 2 410.561 2.540 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000009013964 571211267 /nfs/dbraw/zinc/21/12/67/571211267.db2.gz MHWWPUGWPQVXBB-MHTWAQMVSA-N 1 2 404.466 2.839 50 0 HFAALO COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3CCC[N@H+]32)cc1 ZINC000009013964 571211268 /nfs/dbraw/zinc/21/12/68/571211268.db2.gz MHWWPUGWPQVXBB-MHTWAQMVSA-N 1 2 404.466 2.839 50 0 HFAALO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000245237029 571219319 /nfs/dbraw/zinc/21/93/19/571219319.db2.gz CEESBFBRJHWTTG-VXKWHMMOSA-N 1 2 420.513 2.713 50 0 HFAALO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C(N)=O)cc1 ZINC000245237029 571219322 /nfs/dbraw/zinc/21/93/22/571219322.db2.gz CEESBFBRJHWTTG-VXKWHMMOSA-N 1 2 420.513 2.713 50 0 HFAALO NC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000009517655 571265351 /nfs/dbraw/zinc/26/53/51/571265351.db2.gz RYKLSAGBQHDJAY-UHFFFAOYSA-N 1 2 422.445 2.784 50 0 HFAALO Cc1cccc(C2=NC3(CC[NH+](CC(=O)Nc4ccc(Cl)cc4)CC3)NC2=O)c1 ZINC000009526931 571266121 /nfs/dbraw/zinc/26/61/21/571266121.db2.gz BQPBNSPUKWTZLZ-UHFFFAOYSA-N 1 2 410.905 2.998 50 0 HFAALO Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(C(C)C)C1=O ZINC000035712668 571316883 /nfs/dbraw/zinc/31/68/83/571316883.db2.gz YRTKXYFSJYSPAV-UHFFFAOYSA-O 1 2 423.880 2.973 50 0 HFAALO O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000003323878 132264649 /nfs/dbraw/zinc/26/46/49/132264649.db2.gz IKVIZFRXIFTJAU-UHFFFAOYSA-N 1 2 411.465 2.743 50 0 HFAALO O=C(CSc1nc2ccccc2s1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000011129226 132347759 /nfs/dbraw/zinc/34/77/59/132347759.db2.gz ZRVLOCWNNORAKI-UHFFFAOYSA-N 1 2 400.529 2.936 50 0 HFAALO Cc1cc(N)nc(S[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)[nH+]1 ZINC000012633686 132365524 /nfs/dbraw/zinc/36/55/24/132365524.db2.gz UIQPLCFOMAUEBN-SECBINFHSA-N 1 2 411.409 2.852 50 0 HFAALO CCN(C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000032865329 519911373 /nfs/dbraw/zinc/91/13/73/519911373.db2.gz SRHNTZZODKVYFW-UHFFFAOYSA-N 1 2 407.561 2.544 50 0 HFAALO CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)[nH+]c2)cc1C ZINC000032937371 521209630 /nfs/dbraw/zinc/20/96/30/521209630.db2.gz PPCIOZLCQXCOQI-UHFFFAOYSA-N 1 2 411.506 2.840 50 0 HFAALO COc1ccccc1-n1c(SCC[NH+]2CCOCC2)nnc1N1CCCCC1 ZINC000032741811 524301184 /nfs/dbraw/zinc/30/11/84/524301184.db2.gz VICVARZJSSTHGA-UHFFFAOYSA-N 1 2 403.552 2.691 50 0 HFAALO COc1cccc(-n2nnc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)c2C)c1 ZINC000032938873 525755509 /nfs/dbraw/zinc/75/55/09/525755509.db2.gz XGILBEOAJNVKKW-UHFFFAOYSA-N 1 2 402.458 2.759 50 0 HFAALO C[C@@H](SC(=S)N1CC[NH+](C)CC1)C(=O)c1cc(Br)ccc1O ZINC000020546565 525968326 /nfs/dbraw/zinc/96/83/26/525968326.db2.gz REPCWILSSBYKHO-SNVBAGLBSA-N 1 2 403.367 2.991 50 0 HFAALO O=C(CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000032497391 526379148 /nfs/dbraw/zinc/37/91/48/526379148.db2.gz FAOMBSXWUCXAKD-UHFFFAOYSA-N 1 2 424.497 2.644 50 0 HFAALO O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032962489 526456394 /nfs/dbraw/zinc/45/63/94/526456394.db2.gz LPIPNUFXJYYPRK-QMZDIEEXSA-N 1 2 403.526 2.893 50 0 HFAALO O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020567865 526602428 /nfs/dbraw/zinc/60/24/28/526602428.db2.gz AOCCTVHGXBWVGW-HXUWFJFHSA-N 1 2 423.513 2.680 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(Oc2ncccn2)c1 ZINC000040104913 526771246 /nfs/dbraw/zinc/77/12/46/526771246.db2.gz LHQGYMABHACOMR-UHFFFAOYSA-N 1 2 406.446 2.822 50 0 HFAALO O=S(=O)(c1c2nsnc2ccc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000032579227 527263496 /nfs/dbraw/zinc/26/34/96/527263496.db2.gz HJIFNSGCXIUMRT-UHFFFAOYSA-N 1 2 414.965 2.913 50 0 HFAALO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000023805396 527271054 /nfs/dbraw/zinc/27/10/54/527271054.db2.gz DZGKCPNRDJCFCF-SFHVURJKSA-N 1 2 414.449 2.745 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@H](c1cccc(Br)c1)N1CC[NH+](C)CC1)S2 ZINC000022626820 557107682 /nfs/dbraw/zinc/10/76/82/557107682.db2.gz MENTXZNXOLNXLB-AWEZNQCLSA-N 1 2 422.352 2.904 50 0 HFAALO C[C@@H](C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000097325558 557272955 /nfs/dbraw/zinc/27/29/55/557272955.db2.gz GSABTVYPLYXSNQ-HFCFLWKCSA-N 1 2 403.548 2.930 50 0 HFAALO COC(=O)c1ccc(N2C(=O)C[C@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000002728260 557371409 /nfs/dbraw/zinc/37/14/09/557371409.db2.gz LWSBRQIJUJTXAJ-KRWDZBQOSA-N 1 2 409.467 2.957 50 0 HFAALO COc1cccc(CN2CCO[C@@H](C[NH+]3CCN(C(=O)c4ccc(C)cc4)CC3)C2)c1 ZINC000034691748 557372177 /nfs/dbraw/zinc/37/21/77/557372177.db2.gz ZPUYLRFBLKJMIL-DEOSSOPVSA-N 1 2 423.557 2.662 50 0 HFAALO COc1cccc(C[N@@H+]2CCO[C@@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)c1 ZINC000034691748 557372181 /nfs/dbraw/zinc/37/21/81/557372181.db2.gz ZPUYLRFBLKJMIL-DEOSSOPVSA-N 1 2 423.557 2.662 50 0 HFAALO COc1cccc(C[N@H+]2CCO[C@@H](CN3CCN(C(=O)c4ccc(C)cc4)CC3)C2)c1 ZINC000034691748 557372183 /nfs/dbraw/zinc/37/21/83/557372183.db2.gz ZPUYLRFBLKJMIL-DEOSSOPVSA-N 1 2 423.557 2.662 50 0 HFAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCC1)CN(C(=O)OCC)CC2 ZINC000004150894 557520520 /nfs/dbraw/zinc/52/05/20/557520520.db2.gz HHHGXNDAYPHNDE-UHFFFAOYSA-N 1 2 423.535 2.864 50 0 HFAALO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022784255 557820117 /nfs/dbraw/zinc/82/01/17/557820117.db2.gz IWQDDDRWJGLVFM-QGZVFWFLSA-N 1 2 404.530 2.561 50 0 HFAALO COC(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022851499 557839318 /nfs/dbraw/zinc/83/93/18/557839318.db2.gz HQWHEHSUBDBZAP-SFHVURJKSA-N 1 2 401.438 2.774 50 0 HFAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000022853723 557840581 /nfs/dbraw/zinc/84/05/81/557840581.db2.gz MPIWAOXRBLDZSG-HNNXBMFYSA-N 1 2 419.938 2.999 50 0 HFAALO C[C@@H]1C[N@H+](C2(C(=O)NCc3cn4ccccc4n3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019731089 558259322 /nfs/dbraw/zinc/25/93/22/558259322.db2.gz PKAXEBXAOYHYGG-HDICACEKSA-N 1 2 404.514 2.597 50 0 HFAALO C[C@@H]1C[N@@H+](C2(C(=O)NCc3cn4ccccc4n3)Cc3ccccc3C2)C[C@H](C)O1 ZINC000019731089 558259323 /nfs/dbraw/zinc/25/93/23/558259323.db2.gz PKAXEBXAOYHYGG-HDICACEKSA-N 1 2 404.514 2.597 50 0 HFAALO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)c(OC)c1 ZINC000019760134 558276154 /nfs/dbraw/zinc/27/61/54/558276154.db2.gz RJGBHGHOJQCKGP-UHFFFAOYSA-N 1 2 421.497 2.981 50 0 HFAALO CCOC(=O)c1cnc2ccc(Br)cc2c1NCC[NH+]1CCOCC1 ZINC000019792119 558283124 /nfs/dbraw/zinc/28/31/24/558283124.db2.gz BYJDLEJARJGNIJ-UHFFFAOYSA-N 1 2 408.296 2.918 50 0 HFAALO CC(C)[NH+]1CCN(Cc2cnc(S(=O)(=O)C(C)C)n2Cc2ccccc2F)CC1 ZINC000019839876 558293730 /nfs/dbraw/zinc/29/37/30/558293730.db2.gz PVSWTVOZVHMQHD-UHFFFAOYSA-N 1 2 422.570 2.779 50 0 HFAALO CCOC(=O)c1nnn(Cc2ccccc2Cl)c1NC(=O)C[NH+]1CCCCC1 ZINC000019897445 558303924 /nfs/dbraw/zinc/30/39/24/558303924.db2.gz DYYLTWYOAQKVJC-UHFFFAOYSA-N 1 2 405.886 2.581 50 0 HFAALO CCc1c(C(=O)NCCCn2cc[nH+]c2)c(=O)cc(C)n1Cc1ccccc1OC ZINC000012099743 558325860 /nfs/dbraw/zinc/32/58/60/558325860.db2.gz PPJYPODYFHBRDR-UHFFFAOYSA-N 1 2 408.502 2.793 50 0 HFAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)NC4CCCCC4)CC3)c2c1 ZINC000020213091 558347710 /nfs/dbraw/zinc/34/77/10/558347710.db2.gz WDNAQDCSYFRROQ-UHFFFAOYSA-N 1 2 411.546 2.922 50 0 HFAALO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000020804596 558416307 /nfs/dbraw/zinc/41/63/07/558416307.db2.gz PAFNLBLWJFJPMS-KZNAEPCWSA-N 1 2 420.985 2.789 50 0 HFAALO CCc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000020812588 558416567 /nfs/dbraw/zinc/41/65/67/558416567.db2.gz CJNXLDPCRTWETP-VAMGGRTRSA-N 1 2 414.594 2.698 50 0 HFAALO Cc1nnc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)s1 ZINC000004341584 558425285 /nfs/dbraw/zinc/42/52/85/558425285.db2.gz NEJQVAJKPFZQSI-UHFFFAOYSA-N 1 2 401.452 2.845 50 0 HFAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000022226112 558467040 /nfs/dbraw/zinc/46/70/40/558467040.db2.gz IBXHAMRWKFABJE-JOCHJYFZSA-N 1 2 407.514 2.612 50 0 HFAALO O=C(Nc1ccccc1O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000012806925 558474122 /nfs/dbraw/zinc/47/41/22/558474122.db2.gz OQWNMCJOEOWSOU-SFHVURJKSA-N 1 2 411.433 2.514 50 0 HFAALO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000022357392 558482713 /nfs/dbraw/zinc/48/27/13/558482713.db2.gz XKLITRSVJBTJRI-UHFFFAOYSA-N 1 2 406.486 2.610 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000012950451 558488136 /nfs/dbraw/zinc/48/81/36/558488136.db2.gz YEADBMOFQMEYRY-UHFFFAOYSA-N 1 2 404.536 2.576 50 0 HFAALO Cc1c(Cl)cnn1[C@@H](C)C(=O)Nc1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000022438438 558489701 /nfs/dbraw/zinc/48/97/01/558489701.db2.gz XHZQFQMIQLTKJN-HNNXBMFYSA-N 1 2 416.913 2.727 50 0 HFAALO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022782984 558510324 /nfs/dbraw/zinc/51/03/24/558510324.db2.gz PAFNLBLWJFJPMS-FGTMMUONSA-N 1 2 420.985 2.789 50 0 HFAALO C[C@H]1CCCC[C@]12NC(=O)N(CN1CC[NH+](Cc3ccc(Cl)s3)CC1)C2=O ZINC000022786778 558511124 /nfs/dbraw/zinc/51/11/24/558511124.db2.gz DUMZVDARDGFTHF-LIRRHRJNSA-N 1 2 410.971 2.977 50 0 HFAALO CC1CCC2(CC1)NC(=O)N(CN1CC[NH+](Cc3ccc(Cl)s3)CC1)C2=O ZINC000022791104 558512211 /nfs/dbraw/zinc/51/22/11/558512211.db2.gz IGJJXMRFQQBSDT-UHFFFAOYSA-N 1 2 410.971 2.977 50 0 HFAALO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022799333 558512679 /nfs/dbraw/zinc/51/26/79/558512679.db2.gz KTWSQQBDCJELJC-YHLJFGAHSA-N 1 2 421.589 2.925 50 0 HFAALO CN(Cc1ccon1)C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000022851915 558516942 /nfs/dbraw/zinc/51/69/42/558516942.db2.gz YVKPLEUVRXBBBP-VMPITWQZSA-N 1 2 421.501 2.766 50 0 HFAALO CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000022893832 558518904 /nfs/dbraw/zinc/51/89/04/558518904.db2.gz HZBORRREJVOCEN-MRXNPFEDSA-N 1 2 400.548 2.547 50 0 HFAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000022913739 558520567 /nfs/dbraw/zinc/52/05/67/558520567.db2.gz YJHYRRJRFKWATI-LHSJRXKWSA-N 1 2 413.547 2.653 50 0 HFAALO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000022917122 558522010 /nfs/dbraw/zinc/52/20/10/558522010.db2.gz BLDFITVBSALLHA-QZTJIDSGSA-N 1 2 412.509 2.648 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3c4ccccc4C[C@H]3C)CC2)c1 ZINC000022933917 558525588 /nfs/dbraw/zinc/52/55/88/558525588.db2.gz CNSLJGGREUXDPB-GOSISDBHSA-N 1 2 409.530 2.799 50 0 HFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000022935349 558526391 /nfs/dbraw/zinc/52/63/91/558526391.db2.gz UFNUDBQFRBJTAO-JOCHJYFZSA-N 1 2 414.594 2.663 50 0 HFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000022935349 558526393 /nfs/dbraw/zinc/52/63/93/558526393.db2.gz UFNUDBQFRBJTAO-JOCHJYFZSA-N 1 2 414.594 2.663 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000023731392 558571427 /nfs/dbraw/zinc/57/14/27/558571427.db2.gz WDCZCXOQODFNBN-UHFFFAOYSA-N 1 2 400.475 2.549 50 0 HFAALO C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023761202 558574488 /nfs/dbraw/zinc/57/44/88/558574488.db2.gz LSRWCYVFQXHYML-VVBPWWLESA-N 1 2 409.490 2.550 50 0 HFAALO Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024137395 558590273 /nfs/dbraw/zinc/59/02/73/558590273.db2.gz DVIHDMIDOZWLQK-UHFFFAOYSA-N 1 2 410.562 2.978 50 0 HFAALO COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000025043471 558627853 /nfs/dbraw/zinc/62/78/53/558627853.db2.gz ITDLNAZMHASENV-GOSISDBHSA-N 1 2 411.550 2.744 50 0 HFAALO C[N@@H+]1CCc2nc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)sc2C1 ZINC000014241471 558644128 /nfs/dbraw/zinc/64/41/28/558644128.db2.gz QYZWFTJWPHUJLV-UHFFFAOYSA-N 1 2 411.483 2.744 50 0 HFAALO C[N@H+]1CCc2nc(NC(=O)COc3ccc4c5c(c(=O)oc4c3)CCC5)sc2C1 ZINC000014241471 558644130 /nfs/dbraw/zinc/64/41/30/558644130.db2.gz QYZWFTJWPHUJLV-UHFFFAOYSA-N 1 2 411.483 2.744 50 0 HFAALO Cc1c(C[N@H+]2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccn3)C2)cnn1C ZINC000014540598 558659692 /nfs/dbraw/zinc/65/96/92/558659692.db2.gz UXCPFHMVQVXISP-QFIPXVFZSA-N 1 2 411.550 2.686 50 0 HFAALO Cc1c(C[N@@H+]2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccccn3)C2)cnn1C ZINC000014540598 558659695 /nfs/dbraw/zinc/65/96/95/558659695.db2.gz UXCPFHMVQVXISP-QFIPXVFZSA-N 1 2 411.550 2.686 50 0 HFAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000026464842 558661661 /nfs/dbraw/zinc/66/16/61/558661661.db2.gz OVSWOSZUUNCXRY-MLGOLLRUSA-N 1 2 400.306 2.644 50 0 HFAALO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000026464842 558661663 /nfs/dbraw/zinc/66/16/63/558661663.db2.gz OVSWOSZUUNCXRY-MLGOLLRUSA-N 1 2 400.306 2.644 50 0 HFAALO CC(=O)c1cc(C(=O)N2CCOc3ccc(C[NH+]4CCOCC4)cc3C2)cs1 ZINC000014987318 558693077 /nfs/dbraw/zinc/69/30/77/558693077.db2.gz SJILGWXHVJRFHE-UHFFFAOYSA-N 1 2 400.500 2.818 50 0 HFAALO COCc1c(C(=O)N2CC[NH+](C)CC2)c(=O)cc(C)n1CCc1ccccc1Cl ZINC000015003234 558698383 /nfs/dbraw/zinc/69/83/83/558698383.db2.gz VWUPSANHVAXHCY-UHFFFAOYSA-N 1 2 417.937 2.587 50 0 HFAALO Cc1cccc(CN2CCN(C(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)CCC2=O)c1 ZINC000015071248 558712959 /nfs/dbraw/zinc/71/29/59/558712959.db2.gz DZRPUYWGCGJFNO-OAQYLSRUSA-N 1 2 406.530 2.868 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 ZINC000030107452 558727000 /nfs/dbraw/zinc/72/70/00/558727000.db2.gz AVUUUAUMXJBWJT-UHFFFAOYSA-N 1 2 406.486 2.848 50 0 HFAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000030563964 558732842 /nfs/dbraw/zinc/73/28/42/558732842.db2.gz YKZXMUFBTQBBRT-NRFANRHFSA-N 1 2 404.470 2.979 50 0 HFAALO CC(=O)Nc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000015480391 558741011 /nfs/dbraw/zinc/74/10/11/558741011.db2.gz QEFJMXYAMTZCFJ-SFHVURJKSA-N 1 2 402.451 2.586 50 0 HFAALO CCCNC(=O)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000034886221 558786593 /nfs/dbraw/zinc/78/65/93/558786593.db2.gz IPKRQRMXBHTCMG-FQEVSTJZSA-N 1 2 417.531 2.949 50 0 HFAALO CCCNC(=O)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000034886221 558786595 /nfs/dbraw/zinc/78/65/95/558786595.db2.gz IPKRQRMXBHTCMG-FQEVSTJZSA-N 1 2 417.531 2.949 50 0 HFAALO COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000072311589 558788020 /nfs/dbraw/zinc/78/80/20/558788020.db2.gz LVBXENYOQVJMTB-MEDUHNTESA-N 1 2 419.279 2.588 50 0 HFAALO O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000035598161 558793809 /nfs/dbraw/zinc/79/38/09/558793809.db2.gz AULYPZKGWAPLEP-UHFFFAOYSA-N 1 2 402.380 2.644 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(Nc3cccc(C(F)(F)F)c3)nc2)CC1 ZINC000036040264 558796938 /nfs/dbraw/zinc/79/69/38/558796938.db2.gz SJSDBLOCMZWPNR-UHFFFAOYSA-N 1 2 400.426 2.780 50 0 HFAALO CC(C)CCN1C(=O)c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1=O ZINC000016637025 558797210 /nfs/dbraw/zinc/79/72/10/558797210.db2.gz XBWAMEGXZAACCR-UHFFFAOYSA-N 1 2 406.486 2.686 50 0 HFAALO O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033005164 558827434 /nfs/dbraw/zinc/82/74/34/558827434.db2.gz KFRJIBZPTNOBRG-NRFANRHFSA-N 1 2 424.497 2.931 50 0 HFAALO COc1ccc(Nc2nc(N)nc(CN3CC[NH+](/C=C/c4ccccc4)CC3)n2)cc1 ZINC000050063366 558851880 /nfs/dbraw/zinc/85/18/80/558851880.db2.gz BLFLFFCTTMSXFC-VAWYXSNFSA-N 1 2 417.517 2.995 50 0 HFAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](CC(=O)N4CCCC[C@@H]4C)CC3)c2c1 ZINC000033088051 558869810 /nfs/dbraw/zinc/86/98/10/558869810.db2.gz ARKLZVJEMCSHBO-SFHVURJKSA-N 1 2 411.546 2.874 50 0 HFAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c2c1 ZINC000033088051 558869812 /nfs/dbraw/zinc/86/98/12/558869812.db2.gz ARKLZVJEMCSHBO-SFHVURJKSA-N 1 2 411.546 2.874 50 0 HFAALO O=C(c1ccccc1)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000019368857 558877506 /nfs/dbraw/zinc/87/75/06/558877506.db2.gz OKSRCVGWPNOLGN-UHFFFAOYSA-N 1 2 413.477 2.894 50 0 HFAALO O=C(C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1)NC1CC1 ZINC000058160468 558905147 /nfs/dbraw/zinc/90/51/47/558905147.db2.gz FXJGUPITJWCEQH-UHFFFAOYSA-N 1 2 411.506 2.898 50 0 HFAALO COc1ccc(-c2cc3ncnc(N4CC[NH+](CC(=O)NC5CC5)CC4)c3s2)cc1 ZINC000058160640 558905325 /nfs/dbraw/zinc/90/53/25/558905325.db2.gz LLKQRLXWSLQIFH-UHFFFAOYSA-N 1 2 423.542 2.768 50 0 HFAALO CCN(Cc1ccc(OC)c(F)c1)C(=O)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000058170347 558907965 /nfs/dbraw/zinc/90/79/65/558907965.db2.gz MVCDNYVPGNHWPI-UHFFFAOYSA-N 1 2 401.482 2.711 50 0 HFAALO Cc1cccn2c(C[N@@H+]3CC=C[C@H]3CO)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071745593 558908480 /nfs/dbraw/zinc/90/84/80/558908480.db2.gz LLWMWOVKWBDWKF-FQEVSTJZSA-N 1 2 404.514 2.690 50 0 HFAALO Cc1cccn2c(C[N@H+]3CC=C[C@H]3CO)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000071745593 558908482 /nfs/dbraw/zinc/90/84/82/558908482.db2.gz LLWMWOVKWBDWKF-FQEVSTJZSA-N 1 2 404.514 2.690 50 0 HFAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(Cl)c1 ZINC000072116065 558926927 /nfs/dbraw/zinc/92/69/27/558926927.db2.gz CAVWDCHKMSZJKB-UHFFFAOYSA-N 1 2 416.913 2.629 50 0 HFAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(Cl)c1 ZINC000072116065 558926928 /nfs/dbraw/zinc/92/69/28/558926928.db2.gz CAVWDCHKMSZJKB-UHFFFAOYSA-N 1 2 416.913 2.629 50 0 HFAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)cc1 ZINC000065363641 558974731 /nfs/dbraw/zinc/97/47/31/558974731.db2.gz XPDAATYKDTZCMZ-UHFFFAOYSA-N 1 2 421.505 2.950 50 0 HFAALO Cc1nnsc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)[nH+]c(C)n2)cc1 ZINC000067630213 558990429 /nfs/dbraw/zinc/99/04/29/558990429.db2.gz ZRMSTMYTKZNHMX-UHFFFAOYSA-N 1 2 411.491 2.777 50 0 HFAALO C[NH+]1CCN(c2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)CC1 ZINC000023139734 559020072 /nfs/dbraw/zinc/02/00/72/559020072.db2.gz RSUOUVTWHUZTOD-UHFFFAOYSA-N 1 2 406.562 2.630 50 0 HFAALO COc1cccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC3(CC2)OCCO3)c1 ZINC000023157877 559022547 /nfs/dbraw/zinc/02/25/47/559022547.db2.gz MIAQJYKHUGWNED-INIZCTEOSA-N 1 2 416.503 2.742 50 0 HFAALO CCn1cc[nH+]c1CNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O ZINC000091848758 559074012 /nfs/dbraw/zinc/07/40/12/559074012.db2.gz HLWCMWXEQQXHFS-UHFFFAOYSA-N 1 2 406.273 2.814 50 0 HFAALO CSCc1noc(C[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 ZINC000092045672 559075329 /nfs/dbraw/zinc/07/53/29/559075329.db2.gz ZQBKWPDACWCTQC-UHFFFAOYSA-N 1 2 401.536 2.732 50 0 HFAALO O=C(c1ccc2cc[nH]c2c1)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2C(=O)C1CC1 ZINC000095510475 559083751 /nfs/dbraw/zinc/08/37/51/559083751.db2.gz LHHQXNBVKVQGKF-UHFFFAOYSA-N 1 2 403.486 2.817 50 0 HFAALO CC(=O)Nc1ccc(S(=O)(=O)CCC[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1 ZINC000072308144 559161279 /nfs/dbraw/zinc/16/12/79/559161279.db2.gz ZFAUECSUBIWDKN-KKSFZXQISA-N 1 2 410.580 2.976 50 0 HFAALO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)CC1 ZINC000023329529 559167392 /nfs/dbraw/zinc/16/73/92/559167392.db2.gz PGDXEDUJYXCQBU-AWEZNQCLSA-N 1 2 405.593 2.910 50 0 HFAALO COC(=O)c1c(C)[nH]c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1C ZINC000409413861 559250887 /nfs/dbraw/zinc/25/08/87/559250887.db2.gz LHJFWJOCZCRWBI-CQSZACIVSA-N 1 2 414.458 2.957 50 0 biogenic HFAALO COC(=O)c1c(C)[nH]c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1C ZINC000409413861 559250889 /nfs/dbraw/zinc/25/08/89/559250889.db2.gz LHJFWJOCZCRWBI-CQSZACIVSA-N 1 2 414.458 2.957 50 0 biogenic HFAALO Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CC[NH+]4CCOCC4)c(=N)c32)cc1 ZINC000005346882 560570544 /nfs/dbraw/zinc/57/05/44/560570544.db2.gz VTCMSJISQSNTPU-OAQYLSRUSA-N 1 2 418.497 2.995 50 0 HFAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+](CC(N)=O)C(C)C)cc1 ZINC000008532689 560637429 /nfs/dbraw/zinc/63/74/29/560637429.db2.gz PXFCUCUIWBMSAB-OAQYLSRUSA-N 1 2 408.502 2.569 50 0 HFAALO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000008532689 560637430 /nfs/dbraw/zinc/63/74/30/560637430.db2.gz PXFCUCUIWBMSAB-OAQYLSRUSA-N 1 2 408.502 2.569 50 0 HFAALO Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000014731276 560746246 /nfs/dbraw/zinc/74/62/46/560746246.db2.gz UQNVYGCGQFFFAJ-UHFFFAOYSA-N 1 2 419.514 2.758 50 0 HFAALO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000103945288 560845165 /nfs/dbraw/zinc/84/51/65/560845165.db2.gz SEWJGYCORFPIFX-KSZLIROESA-N 1 2 404.530 2.560 50 0 HFAALO N=c1n(C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2n1C1=[NH+]CCN1 ZINC000108807446 568419676 /nfs/dbraw/zinc/41/96/76/568419676.db2.gz TWONFOQUQBLEOA-UHFFFAOYSA-N 1 2 402.502 2.652 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000048253969 568434530 /nfs/dbraw/zinc/43/45/30/568434530.db2.gz IKVAPLFJDIRLJB-UHFFFAOYSA-N 1 2 423.517 2.866 50 0 HFAALO O=C(Cc1csc(Cc2ccccn2)n1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000048314393 568437934 /nfs/dbraw/zinc/43/79/34/568437934.db2.gz DXQCMEZQFQXRMF-NRFANRHFSA-N 1 2 422.554 2.689 50 0 HFAALO O=C(Cc1csc(Cc2ccccn2)n1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000048314393 568437935 /nfs/dbraw/zinc/43/79/35/568437935.db2.gz DXQCMEZQFQXRMF-NRFANRHFSA-N 1 2 422.554 2.689 50 0 HFAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831946 568592493 /nfs/dbraw/zinc/59/24/93/568592493.db2.gz WDGBZVIBDGORBV-NRFANRHFSA-N 1 2 409.511 2.933 50 0 HFAALO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCC[NH+]3CCOCC3)c12 ZINC000020283590 568596671 /nfs/dbraw/zinc/59/66/71/568596671.db2.gz QZCSPMMYFOHOKA-UHFFFAOYSA-N 1 2 413.909 2.753 50 0 HFAALO O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccnc2)N1CCC[NH+]1CCOCC1 ZINC000020308763 568598327 /nfs/dbraw/zinc/59/83/27/568598327.db2.gz PBMWWPLUZCSITR-FQEVSTJZSA-N 1 2 423.444 2.595 50 0 HFAALO CN1CC[NH+](C[C@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CCO2)CC1 ZINC000095393108 568604139 /nfs/dbraw/zinc/60/41/39/568604139.db2.gz SUGOPCHGJYSLRP-SFHVURJKSA-N 1 2 409.559 2.811 50 0 HFAALO Cn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000020439256 568607439 /nfs/dbraw/zinc/60/74/39/568607439.db2.gz XADBJTIKUHFZIB-RGEXLXHISA-N 1 2 417.469 2.945 50 0 HFAALO COc1ccc([C@H]2[C@H](C(=O)NCCc3c[nH+]c[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479282 568632429 /nfs/dbraw/zinc/63/24/29/568632429.db2.gz WNEHNKWMYHWEQZ-RTWAWAEBSA-N 1 2 404.470 2.688 50 0 HFAALO COc1ccc([C@H]2[C@H](C(=O)NCCc3c[nH]c[nH+]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479282 568632431 /nfs/dbraw/zinc/63/24/31/568632431.db2.gz WNEHNKWMYHWEQZ-RTWAWAEBSA-N 1 2 404.470 2.688 50 0 HFAALO Cc1cc(C)cc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1 ZINC000020611166 568636909 /nfs/dbraw/zinc/63/69/09/568636909.db2.gz GVTGEOCIIAPYIW-HXUWFJFHSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO CCc1ccc(NC(=S)N(CC[NH+]2CCOCC2)C2CCN(C(C)=O)CC2)cc1 ZINC000020730279 568640954 /nfs/dbraw/zinc/64/09/54/568640954.db2.gz WUUQNDVAFHOOJB-UHFFFAOYSA-N 1 2 418.607 2.591 50 0 HFAALO Cc1ccc(C)c(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020757300 568641745 /nfs/dbraw/zinc/64/17/45/568641745.db2.gz DFETYLIKBIBOAP-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(C)c(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c1 ZINC000020757300 568641747 /nfs/dbraw/zinc/64/17/47/568641747.db2.gz DFETYLIKBIBOAP-OAQYLSRUSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCN(c3ccccc3C)CC1)CC2 ZINC000095939071 568661319 /nfs/dbraw/zinc/66/13/19/568661319.db2.gz YMUXGGAYLPLXTB-UHFFFAOYSA-N 1 2 409.530 2.719 50 0 HFAALO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)CCc2nc(C(C)C)no2)CC1 ZINC000095949142 568665563 /nfs/dbraw/zinc/66/55/63/568665563.db2.gz ZTAMYHXWOZOUKI-UHFFFAOYSA-N 1 2 410.522 2.735 50 0 HFAALO CC(C)Cc1[nH]c2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000096113829 568693339 /nfs/dbraw/zinc/69/33/39/568693339.db2.gz WJUKFFCYQVRBLI-GOSISDBHSA-N 1 2 405.458 2.841 50 0 biogenic HFAALO CCCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(OC)cc2)CC1 ZINC000096203412 568704173 /nfs/dbraw/zinc/70/41/73/568704173.db2.gz JYXBQGVRUVCKMX-UHFFFAOYSA-N 1 2 418.563 2.555 50 0 HFAALO COc1ccccc1OCCN1C[C@H](C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CC1=O ZINC000096223092 568706107 /nfs/dbraw/zinc/70/61/07/568706107.db2.gz RTKIYSZSRKYSGO-OAHLLOKOSA-N 1 2 408.458 2.746 50 0 HFAALO CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000229803287 568715231 /nfs/dbraw/zinc/71/52/31/568715231.db2.gz KWIBAVICXNVZAL-BXWFABGCSA-N 1 2 420.554 2.862 50 0 HFAALO O=C(OCc1ccccc1)N1CCc2[nH+]c(N3CCOCC3)nc(N3CCCC3)c2C1 ZINC000096280964 568718493 /nfs/dbraw/zinc/71/84/93/568718493.db2.gz BTPRTOVABKSMDV-UHFFFAOYSA-N 1 2 423.517 2.608 50 0 HFAALO COCC[C@H](NC(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1)C(=O)OC ZINC000240871470 568730614 /nfs/dbraw/zinc/73/06/14/568730614.db2.gz IKTZCOFDPHQTLK-SFHVURJKSA-N 1 2 413.499 2.935 50 0 HFAALO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000241126182 568730848 /nfs/dbraw/zinc/73/08/48/568730848.db2.gz JKDKHMMBJKMLBJ-HNNXBMFYSA-N 1 2 416.421 2.771 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1OC ZINC000025201051 568758976 /nfs/dbraw/zinc/75/89/76/568758976.db2.gz JZSXPQIIOMDYFP-UHFFFAOYSA-N 1 2 408.454 2.768 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000056997643 568822677 /nfs/dbraw/zinc/82/26/77/568822677.db2.gz WYESGBMFKNFWOC-UHFFFAOYSA-N 1 2 423.966 2.839 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000056998008 568822960 /nfs/dbraw/zinc/82/29/60/568822960.db2.gz RNMRWMJXXLHDKT-UHFFFAOYSA-N 1 2 418.900 2.664 50 0 HFAALO C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547669 568851017 /nfs/dbraw/zinc/85/10/17/568851017.db2.gz ZRVNUTYNWGRHMZ-HNNXBMFYSA-N 1 2 410.499 2.685 50 0 HFAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000003586165 568863706 /nfs/dbraw/zinc/86/37/06/568863706.db2.gz FCFGGXXHELUNKN-UHFFFAOYSA-N 1 2 420.307 2.916 50 0 HFAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000003586165 568863709 /nfs/dbraw/zinc/86/37/09/568863709.db2.gz FCFGGXXHELUNKN-UHFFFAOYSA-N 1 2 420.307 2.916 50 0 HFAALO CN(C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000012581187 568864231 /nfs/dbraw/zinc/86/42/31/568864231.db2.gz CHGVXUYVKZDGBB-KRWDZBQOSA-N 1 2 415.540 2.886 50 0 HFAALO O=C(NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000299800395 568876691 /nfs/dbraw/zinc/87/66/91/568876691.db2.gz WEKOGMHVWGFBSF-MOPGFXCFSA-N 1 2 415.497 2.875 50 0 HFAALO COc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000012734616 568923558 /nfs/dbraw/zinc/92/35/58/568923558.db2.gz SGIHOIRSIBTBAW-UHFFFAOYSA-N 1 2 404.894 2.990 50 0 HFAALO Cn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000015681718 568968221 /nfs/dbraw/zinc/96/82/21/568968221.db2.gz LGJDGSHMPQASIZ-UHFFFAOYSA-N 1 2 421.476 2.802 50 0 HFAALO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)[nH]n2)cc1 ZINC000015721917 568976781 /nfs/dbraw/zinc/97/67/81/568976781.db2.gz ZZFGPNVQUKNDBM-UHFFFAOYSA-N 1 2 423.492 2.776 50 0 HFAALO COc1cc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)cc(OC)c1 ZINC000104357413 569008387 /nfs/dbraw/zinc/00/83/87/569008387.db2.gz GXQGVOXPEDOAAZ-LJQANCHMSA-N 1 2 414.502 2.501 50 0 HFAALO COc1cc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)cc(OC)c1 ZINC000104357413 569008388 /nfs/dbraw/zinc/00/83/88/569008388.db2.gz GXQGVOXPEDOAAZ-LJQANCHMSA-N 1 2 414.502 2.501 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)c(F)c1 ZINC000104390813 569008534 /nfs/dbraw/zinc/00/85/34/569008534.db2.gz HDMSPDRLBKQKTH-GOSISDBHSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@H]2CCO)c(F)c1 ZINC000104390813 569008535 /nfs/dbraw/zinc/00/85/35/569008535.db2.gz HDMSPDRLBKQKTH-GOSISDBHSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)c(F)c1 ZINC000104390813 569008536 /nfs/dbraw/zinc/00/85/36/569008536.db2.gz HDMSPDRLBKQKTH-GOSISDBHSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)c(F)c1 ZINC000104390813 569008537 /nfs/dbraw/zinc/00/85/37/569008537.db2.gz HDMSPDRLBKQKTH-GOSISDBHSA-N 1 2 402.466 2.632 50 0 HFAALO CCCc1cc(=O)oc2cc(OCC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc12 ZINC000012945089 569028999 /nfs/dbraw/zinc/02/89/99/569028999.db2.gz BYBSHJWDYTWCFX-UHFFFAOYSA-N 1 2 407.470 2.868 50 0 HFAALO CCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5cccc[nH+]5)CC4)c3c2)o1 ZINC000035462241 569038022 /nfs/dbraw/zinc/03/80/22/569038022.db2.gz AVRJSCWOPAVTLA-UHFFFAOYSA-N 1 2 416.485 2.998 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1 ZINC000006724912 569041442 /nfs/dbraw/zinc/04/14/42/569041442.db2.gz DJVMIZMHSPEIHB-ZDUSSCGKSA-N 1 2 405.451 2.538 50 0 HFAALO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1 ZINC000006724912 569041443 /nfs/dbraw/zinc/04/14/43/569041443.db2.gz DJVMIZMHSPEIHB-ZDUSSCGKSA-N 1 2 405.451 2.538 50 0 HFAALO CC[C@]1(C)NC(=O)N(NC(=O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)C1=O ZINC000013018391 569051025 /nfs/dbraw/zinc/05/10/25/569051025.db2.gz GETNSXFLUGXKHV-OFNKIYASSA-N 1 2 420.469 2.864 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3cccn3-c3ncccn3)C[C@H]2CCO)cc1 ZINC000036385636 569052299 /nfs/dbraw/zinc/05/22/99/569052299.db2.gz QUGWVBLHJWELDV-OAQYLSRUSA-N 1 2 421.545 2.735 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3cccn3-c3ncccn3)C[C@H]2CCO)cc1 ZINC000036385636 569052300 /nfs/dbraw/zinc/05/23/00/569052300.db2.gz QUGWVBLHJWELDV-OAQYLSRUSA-N 1 2 421.545 2.735 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000006586975 569067787 /nfs/dbraw/zinc/06/77/87/569067787.db2.gz WVTSAPQHNXKNSX-UHFFFAOYSA-N 1 2 400.866 2.735 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000006586975 569067788 /nfs/dbraw/zinc/06/77/88/569067788.db2.gz WVTSAPQHNXKNSX-UHFFFAOYSA-N 1 2 400.866 2.735 50 0 HFAALO CCNC(=O)[C@H](C)NC(=O)c1csc2c1CC[N@H+](Cc1ccc(CC)cn1)C2 ZINC000426683916 569073797 /nfs/dbraw/zinc/07/37/97/569073797.db2.gz PVKURNKULNJRNE-AWEZNQCLSA-N 1 2 400.548 2.518 50 0 HFAALO CCNC(=O)[C@H](C)NC(=O)c1csc2c1CC[N@@H+](Cc1ccc(CC)cn1)C2 ZINC000426683916 569073798 /nfs/dbraw/zinc/07/37/98/569073798.db2.gz PVKURNKULNJRNE-AWEZNQCLSA-N 1 2 400.548 2.518 50 0 HFAALO CC[C@H](C)N1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 ZINC000036024504 569077569 /nfs/dbraw/zinc/07/75/69/569077569.db2.gz IEWIHKDBDJSWLS-MAUKXSAKSA-N 1 2 411.543 2.561 50 0 HFAALO CC[C@H](C)N1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024500 569077588 /nfs/dbraw/zinc/07/75/88/569077588.db2.gz JUYSGSSGCXUYSD-PKOBYXMFSA-N 1 2 407.580 2.731 50 0 HFAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029098 569078262 /nfs/dbraw/zinc/07/82/62/569078262.db2.gz QKCNVCCZJQJUMS-PBHICJAKSA-N 1 2 413.971 2.687 50 0 HFAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](C)O)nc(=O)c2c1C ZINC000036207209 569109580 /nfs/dbraw/zinc/10/95/80/569109580.db2.gz WVBQBFYQTUBVII-ZDUSSCGKSA-N 1 2 415.515 2.853 50 0 HFAALO CCOC(=O)c1sc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](C)O)nc(=O)c2c1C ZINC000036207209 569109582 /nfs/dbraw/zinc/10/95/82/569109582.db2.gz WVBQBFYQTUBVII-ZDUSSCGKSA-N 1 2 415.515 2.853 50 0 HFAALO CCN1c2cc(C(=O)N3CC[NH+](CC)CC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000006772272 569117559 /nfs/dbraw/zinc/11/75/59/569117559.db2.gz WXWFAKGHGBCMJG-LJAQVGFWSA-N 1 2 411.527 2.611 50 0 HFAALO O=C(c1cccc(F)c1)N1CC[NH+]([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251173 569119889 /nfs/dbraw/zinc/11/98/89/569119889.db2.gz OMVFNZHPYURGSR-HXUWFJFHSA-N 1 2 419.566 2.718 50 0 HFAALO Cc1nc(-c2cccnc2SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000065211288 569196416 /nfs/dbraw/zinc/19/64/16/569196416.db2.gz MRGLETORIYZIRQ-UHFFFAOYSA-N 1 2 409.515 2.877 50 0 HFAALO COc1ccccc1NC(=O)C1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000065237063 569202751 /nfs/dbraw/zinc/20/27/51/569202751.db2.gz DFZAVFHAZQVCCW-UHFFFAOYSA-N 1 2 413.547 2.894 50 0 HFAALO COc1ccccc1NC(=O)C1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000065237063 569202752 /nfs/dbraw/zinc/20/27/52/569202752.db2.gz DFZAVFHAZQVCCW-UHFFFAOYSA-N 1 2 413.547 2.894 50 0 HFAALO O=C(NCc1ccccc1Cl)c1cn(-c2cc(N3CCSCC3)[nH+]cn2)cn1 ZINC000065239996 569203709 /nfs/dbraw/zinc/20/37/09/569203709.db2.gz DBFXBIFJHBSBQN-UHFFFAOYSA-N 1 2 414.922 2.799 50 0 HFAALO CCn1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NC2CCCC2)n1 ZINC000065265924 569213047 /nfs/dbraw/zinc/21/30/47/569213047.db2.gz NIPJTXMFZRJPLC-QHCPKHFHSA-N 1 2 406.534 2.853 50 0 HFAALO O=C(c1cc2c(s1)CC[C@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2)N1CCCC1 ZINC000065272861 569216000 /nfs/dbraw/zinc/21/60/00/569216000.db2.gz RTHWGMGNODAPOX-KRWDZBQOSA-N 1 2 424.570 2.833 50 0 HFAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000065296002 569218860 /nfs/dbraw/zinc/21/88/60/569218860.db2.gz LIAZLDBPBGSGFI-UHFFFAOYSA-N 1 2 422.411 2.888 50 0 HFAALO COc1ccc(C)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700272 569222642 /nfs/dbraw/zinc/22/26/42/569222642.db2.gz NKISUWKTXGYNET-HXUWFJFHSA-N 1 2 404.532 2.746 50 0 HFAALO COc1ccc(C)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036700272 569222643 /nfs/dbraw/zinc/22/26/43/569222643.db2.gz NKISUWKTXGYNET-HXUWFJFHSA-N 1 2 404.532 2.746 50 0 HFAALO CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000065562376 569235689 /nfs/dbraw/zinc/23/56/89/569235689.db2.gz KWIBAVICXNVZAL-FRQCXROJSA-N 1 2 420.554 2.862 50 0 HFAALO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000037237602 569241383 /nfs/dbraw/zinc/24/13/83/569241383.db2.gz TYYBNAHWBODADQ-IVAOSVALSA-N 1 2 416.433 2.578 50 0 biogenic HFAALO COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C(C)=O)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000037237602 569241384 /nfs/dbraw/zinc/24/13/84/569241384.db2.gz TYYBNAHWBODADQ-IVAOSVALSA-N 1 2 416.433 2.578 50 0 biogenic HFAALO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000170602423 569243736 /nfs/dbraw/zinc/24/37/36/569243736.db2.gz BDNHVUFNDAOHIK-UHFFFAOYSA-N 1 2 421.476 2.928 50 0 HFAALO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013736954 569257468 /nfs/dbraw/zinc/25/74/68/569257468.db2.gz QIHNMORTFKEOBW-UHFFFAOYSA-N 1 2 403.460 2.613 50 0 HFAALO C[C@H](NC(=O)CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000089905529 569268309 /nfs/dbraw/zinc/26/83/09/569268309.db2.gz NHINJRVHATVUQQ-SFHVURJKSA-N 1 2 423.513 2.717 50 0 HFAALO C[C@@H](c1ccccc1)n1c(=O)[nH]c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000017029290 569272069 /nfs/dbraw/zinc/27/20/69/569272069.db2.gz NUSXXRAVVHGQJG-RBZFPXEDSA-N 1 2 402.454 2.568 50 0 biogenic HFAALO C[C@@H](c1ccccc1)n1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000017029290 569272071 /nfs/dbraw/zinc/27/20/71/569272071.db2.gz NUSXXRAVVHGQJG-RBZFPXEDSA-N 1 2 402.454 2.568 50 0 biogenic HFAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)Oc2ccccc21 ZINC000252444137 569285906 /nfs/dbraw/zinc/28/59/06/569285906.db2.gz AYHQAPLXCHAOCK-HYFFOGBASA-N 1 2 400.523 2.664 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)Oc2ccccc21 ZINC000252444137 569285907 /nfs/dbraw/zinc/28/59/07/569285907.db2.gz AYHQAPLXCHAOCK-HYFFOGBASA-N 1 2 400.523 2.664 50 0 HFAALO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000007599611 569288263 /nfs/dbraw/zinc/28/82/63/569288263.db2.gz FWNFSARHCJSPBO-UHFFFAOYSA-N 1 2 409.558 2.970 50 0 HFAALO C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C ZINC000252670365 569319221 /nfs/dbraw/zinc/31/92/21/569319221.db2.gz KINFFZRRZXVGPW-MXEMCNAFSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C ZINC000252670365 569319222 /nfs/dbraw/zinc/31/92/22/569319222.db2.gz KINFFZRRZXVGPW-MXEMCNAFSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C ZINC000252670365 569319223 /nfs/dbraw/zinc/31/92/23/569319223.db2.gz KINFFZRRZXVGPW-MXEMCNAFSA-N 1 2 420.642 2.772 50 0 HFAALO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1(C)C ZINC000252670365 569319224 /nfs/dbraw/zinc/31/92/24/569319224.db2.gz KINFFZRRZXVGPW-MXEMCNAFSA-N 1 2 420.642 2.772 50 0 HFAALO CC[N@@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000078999556 569423367 /nfs/dbraw/zinc/42/33/67/569423367.db2.gz JAVQNRNFSFVRJA-SIKLNZKXSA-N 1 2 410.514 2.868 50 0 HFAALO CC[N@H+]1CCO[C@@H](C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000078999556 569423369 /nfs/dbraw/zinc/42/33/69/569423369.db2.gz JAVQNRNFSFVRJA-SIKLNZKXSA-N 1 2 410.514 2.868 50 0 HFAALO CC[N@@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000078999551 569423433 /nfs/dbraw/zinc/42/34/33/569423433.db2.gz JAVQNRNFSFVRJA-UGKGYDQZSA-N 1 2 410.514 2.868 50 0 HFAALO CC[N@H+]1CCO[C@H](C(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 ZINC000078999551 569423434 /nfs/dbraw/zinc/42/34/34/569423434.db2.gz JAVQNRNFSFVRJA-UGKGYDQZSA-N 1 2 410.514 2.868 50 0 HFAALO CC[C@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000067291503 571067261 /nfs/dbraw/zinc/06/72/61/571067261.db2.gz IAQZQVNHBFKLOK-ZDUSSCGKSA-N 1 2 404.511 2.886 50 0 HFAALO CC[C@H](C)NC(=O)CSc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000067291503 571067264 /nfs/dbraw/zinc/06/72/64/571067264.db2.gz IAQZQVNHBFKLOK-ZDUSSCGKSA-N 1 2 404.511 2.886 50 0 HFAALO O=C(NCc1cn2ccccc2[nH+]1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000009115884 571224343 /nfs/dbraw/zinc/22/43/43/571224343.db2.gz RGQQIOBUUKPKTQ-UHFFFAOYSA-N 1 2 420.494 2.743 50 0 HFAALO CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009513914 571264614 /nfs/dbraw/zinc/26/46/14/571264614.db2.gz AUHWTYQAKFDQML-UHFFFAOYSA-N 1 2 417.893 2.688 50 0 HFAALO CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009513914 571264616 /nfs/dbraw/zinc/26/46/16/571264616.db2.gz AUHWTYQAKFDQML-UHFFFAOYSA-N 1 2 417.893 2.688 50 0 HFAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2cccc(Cl)c2)C(=O)N3)cc1 ZINC000009526880 571266117 /nfs/dbraw/zinc/26/61/17/571266117.db2.gz VEERUPQTFYEALK-UHFFFAOYSA-N 1 2 410.905 2.998 50 0 biogenic HFAALO Cc1ccc(CN2C(=O)NC3(CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)C2=O)cc1 ZINC000009660791 571277444 /nfs/dbraw/zinc/27/74/44/571277444.db2.gz RJZIGURVAFKLCI-UHFFFAOYSA-N 1 2 424.476 2.659 50 0 HFAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCn1ccc2ccccc21 ZINC000071281876 571290891 /nfs/dbraw/zinc/29/08/91/571290891.db2.gz WJQMGKATSRKOSD-UHFFFAOYSA-N 1 2 419.529 2.672 50 0 HFAALO O=C(c1ccccc1F)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372343 132245001 /nfs/dbraw/zinc/24/50/01/132245001.db2.gz YHASJEWZPQHFIY-UHFFFAOYSA-N 1 2 402.433 2.917 50 0 HFAALO O=C(NCC[NH+]1CCN(c2ncnc3sc4c(c32)CCCC4)CC1)c1ccco1 ZINC000006585114 132311879 /nfs/dbraw/zinc/31/18/79/132311879.db2.gz NJYXMEQJOHRZDT-UHFFFAOYSA-N 1 2 411.531 2.715 50 0 HFAALO CCCS(=O)(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2C)CC1 ZINC000006801681 132317427 /nfs/dbraw/zinc/31/74/27/132317427.db2.gz FFSCEFDCJZKPFL-UHFFFAOYSA-N 1 2 402.564 2.854 50 0 HFAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000007989180 132326666 /nfs/dbraw/zinc/32/66/66/132326666.db2.gz BLVHKADNVKTLAX-UHFFFAOYSA-N 1 2 403.486 2.906 50 0 HFAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)N1CC(=O)Nc2ccccc21 ZINC000007989180 132326668 /nfs/dbraw/zinc/32/66/68/132326668.db2.gz BLVHKADNVKTLAX-UHFFFAOYSA-N 1 2 403.486 2.906 50 0 HFAALO CCC[N@H+](CC(=O)N1CCN(c2ccccc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000008214035 132328724 /nfs/dbraw/zinc/32/87/24/132328724.db2.gz VOURCFSMHWXKGK-UHFFFAOYSA-N 1 2 409.490 2.890 50 0 HFAALO CCC[N@@H+](CC(=O)N1CCN(c2ccccc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000008214035 132328726 /nfs/dbraw/zinc/32/87/26/132328726.db2.gz VOURCFSMHWXKGK-UHFFFAOYSA-N 1 2 409.490 2.890 50 0 HFAALO Clc1cccc(C[N@@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c1 ZINC000021039922 132472048 /nfs/dbraw/zinc/47/20/48/132472048.db2.gz DTADUWVPJWYQDE-UHFFFAOYSA-N 1 2 421.936 2.805 50 0 HFAALO Clc1cccc(C[N@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c1 ZINC000021039922 132472049 /nfs/dbraw/zinc/47/20/49/132472049.db2.gz DTADUWVPJWYQDE-UHFFFAOYSA-N 1 2 421.936 2.805 50 0 HFAALO CC(=O)c1cccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)c1 ZINC000020539995 518421017 /nfs/dbraw/zinc/42/10/17/518421017.db2.gz ZUAYFHKYNQYLRI-DNQXCXABSA-N 1 2 411.521 2.786 50 0 HFAALO COc1ccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)C[NH+]4CCOCC4)c32)cc1 ZINC000036619455 523303477 /nfs/dbraw/zinc/30/34/77/523303477.db2.gz MSMOSYSWKPTIHB-OAHLLOKOSA-N 1 2 410.474 2.657 50 0 HFAALO C[N@@H+]1CCc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)sc2C1 ZINC000032727671 524003350 /nfs/dbraw/zinc/00/33/50/524003350.db2.gz WFBPEIJLXRWHFN-UHFFFAOYSA-N 1 2 420.485 2.900 50 0 HFAALO C[N@H+]1CCc2nc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4F)CC3)sc2C1 ZINC000032727671 524003352 /nfs/dbraw/zinc/00/33/52/524003352.db2.gz WFBPEIJLXRWHFN-UHFFFAOYSA-N 1 2 420.485 2.900 50 0 HFAALO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000032808738 525356011 /nfs/dbraw/zinc/35/60/11/525356011.db2.gz RRPZFMOICZAHGB-CQSZACIVSA-N 1 2 409.408 2.761 50 0 HFAALO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000032850968 526171660 /nfs/dbraw/zinc/17/16/60/526171660.db2.gz GYJKJHJUCBOXIS-INIZCTEOSA-N 1 2 409.538 2.983 50 0 HFAALO CSc1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000032930490 526221433 /nfs/dbraw/zinc/22/14/33/526221433.db2.gz ZNFQBHTYDQUPMQ-RYUDHWBXSA-N 1 2 407.927 2.791 50 0 HFAALO O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042497332 526462420 /nfs/dbraw/zinc/46/24/20/526462420.db2.gz LDALXKCFQPRLFU-HXUWFJFHSA-N 1 2 409.534 2.518 50 0 HFAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1OCC(F)(F)F ZINC000032276144 526551192 /nfs/dbraw/zinc/55/11/92/526551192.db2.gz LFTUUSAZLRJEJE-MRXNPFEDSA-N 1 2 409.408 2.654 50 0 HFAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1OCC(F)(F)F ZINC000032276144 526551197 /nfs/dbraw/zinc/55/11/97/526551197.db2.gz LFTUUSAZLRJEJE-MRXNPFEDSA-N 1 2 409.408 2.654 50 0 HFAALO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC000041003974 527272275 /nfs/dbraw/zinc/27/22/75/527272275.db2.gz LIWGAJJLDOWYTE-UHFFFAOYSA-N 1 2 400.331 2.937 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000032802391 527452980 /nfs/dbraw/zinc/45/29/80/527452980.db2.gz PCFIXQHTTCESCZ-FQEVSTJZSA-N 1 2 410.449 2.962 50 0 HFAALO CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000002269745 536030715 /nfs/dbraw/zinc/03/07/15/536030715.db2.gz RUQYEBRGOBABHB-UHFFFAOYSA-N 1 2 414.525 2.975 50 0 HFAALO CC(C)CN(C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667259 557360994 /nfs/dbraw/zinc/36/09/94/557360994.db2.gz KQWVHWSHKVGQDS-SFTDATJTSA-N 1 2 424.557 2.801 50 0 HFAALO CC(C)CN(C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667259 557360997 /nfs/dbraw/zinc/36/09/97/557360997.db2.gz KQWVHWSHKVGQDS-SFTDATJTSA-N 1 2 424.557 2.801 50 0 HFAALO Cc1ccc(CN2CCO[C@H](C[NH+]3CCN(C(=O)c4ccc(C)cc4)CC3)C2)cc1 ZINC000034691725 557372279 /nfs/dbraw/zinc/37/22/79/557372279.db2.gz CRHFAKUWCZVYKX-XMMPIXPASA-N 1 2 407.558 2.962 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)NCCc1c[nH]c2ccccc12 ZINC000022807297 557824994 /nfs/dbraw/zinc/82/49/94/557824994.db2.gz VAMOAMSPQWCXCG-UHFFFAOYSA-N 1 2 418.541 2.579 50 0 HFAALO CCOC(=O)C1(CCOC)CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000011933450 558298238 /nfs/dbraw/zinc/29/82/38/558298238.db2.gz CFGLXRGNGUCREF-UHFFFAOYSA-N 1 2 401.507 2.943 50 0 HFAALO C[N@@H+]1CCc2c(sc3nc(NCCCO)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020357846 558357808 /nfs/dbraw/zinc/35/78/08/558357808.db2.gz SMZFACMIHOOTKR-UHFFFAOYSA-N 1 2 404.923 2.883 50 0 HFAALO C[N@H+]1CCc2c(sc3nc(NCCCO)n(-c4cccc(Cl)c4)c(=O)c23)C1 ZINC000020357846 558357811 /nfs/dbraw/zinc/35/78/11/558357811.db2.gz SMZFACMIHOOTKR-UHFFFAOYSA-N 1 2 404.923 2.883 50 0 HFAALO CCc1[nH+]c2cc(N)cc(C(=O)NC[C@@H]3COc4ccccc4O3)c2n1CCCOC ZINC000012241909 558360646 /nfs/dbraw/zinc/36/06/46/558360646.db2.gz ZOZRXADBVFXFDG-MRXNPFEDSA-N 1 2 424.501 2.787 50 0 HFAALO Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)o1 ZINC000020438363 558363584 /nfs/dbraw/zinc/36/35/84/558363584.db2.gz JGUPYXWCTXLBAR-HXUWFJFHSA-N 1 2 408.454 2.962 50 0 HFAALO CC[NH+]1CCN(Cc2cnc(S(=O)(=O)CC3CC3)n2CC2CCCCC2)CC1 ZINC000020909806 558421688 /nfs/dbraw/zinc/42/16/88/558421688.db2.gz LWLLTVYKRYHEES-UHFFFAOYSA-N 1 2 408.612 2.785 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000020915794 558422762 /nfs/dbraw/zinc/42/27/62/558422762.db2.gz TWHJOGFASHVQKT-FQEVSTJZSA-N 1 2 418.509 2.920 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc(OC)c1OC ZINC000020915794 558422765 /nfs/dbraw/zinc/42/27/65/558422765.db2.gz TWHJOGFASHVQKT-FQEVSTJZSA-N 1 2 418.509 2.920 50 0 HFAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)[nH]n2)cc1 ZINC000021017201 558429490 /nfs/dbraw/zinc/42/94/90/558429490.db2.gz NREXXISQOBMJGU-UHFFFAOYSA-N 1 2 420.469 2.772 50 0 HFAALO C[C@H](C[NH+]1CCOCC1)NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000022418879 558488546 /nfs/dbraw/zinc/48/85/46/558488546.db2.gz LRLGAVHYNNNGEH-LLVKDONJSA-N 1 2 408.852 2.660 50 0 HFAALO COc1ccc(OC)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000012972870 558489572 /nfs/dbraw/zinc/48/95/72/558489572.db2.gz GXCOAKSOQOZPIZ-UHFFFAOYSA-N 1 2 403.523 2.757 50 0 HFAALO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)OCCO2 ZINC000022787561 558511265 /nfs/dbraw/zinc/51/12/65/558511265.db2.gz DSIONBDXTVYWLS-QGZVFWFLSA-N 1 2 413.493 2.592 50 0 HFAALO O=C(C[NH+]1CCN([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1)N1CCCC1 ZINC000022788100 558511544 /nfs/dbraw/zinc/51/15/44/558511544.db2.gz WKKUZZUGMQUWCV-HSZRJFAPSA-N 1 2 424.520 2.746 50 0 HFAALO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022913132 558520396 /nfs/dbraw/zinc/52/03/96/558520396.db2.gz PTRRPBYIHCYVPG-KRWDZBQOSA-N 1 2 406.958 2.543 50 0 HFAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000023153697 558539362 /nfs/dbraw/zinc/53/93/62/558539362.db2.gz HZTBFULBYYYYDG-UHFFFAOYSA-N 1 2 422.514 2.734 50 0 HFAALO Cc1ccc(-c2nn(CN3CC[NH+](CC(=O)NCC(C)C)CC3)c(=S)o2)cc1C ZINC000023257162 558546433 /nfs/dbraw/zinc/54/64/33/558546433.db2.gz PFOKUWLYYSYHEN-UHFFFAOYSA-N 1 2 417.579 2.837 50 0 HFAALO O=C(c1ccsc1)N1CCC[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023373745 558553755 /nfs/dbraw/zinc/55/37/55/558553755.db2.gz PREWLNXLYWUWHX-LJQANCHMSA-N 1 2 413.543 2.899 50 0 HFAALO O=C(CCn1cncn1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023749319 558573607 /nfs/dbraw/zinc/57/36/07/558573607.db2.gz UNHGBKPYAHCVLD-UHFFFAOYSA-N 1 2 411.456 2.880 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(CN4CCCC4=O)cc3)CC2)cc1 ZINC000024309271 558594826 /nfs/dbraw/zinc/59/48/26/558594826.db2.gz JCHWIECPVXZBMG-UHFFFAOYSA-N 1 2 407.514 2.776 50 0 HFAALO CSc1nc2nc(C)c(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)c(C)n2n1 ZINC000024969987 558623124 /nfs/dbraw/zinc/62/31/24/558623124.db2.gz NJOMENXUFWVLLD-SFHVURJKSA-N 1 2 421.530 2.645 50 0 HFAALO COc1cc(OC)cc([C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3)c2[nH+]ccn2C)c1 ZINC000025160532 558633309 /nfs/dbraw/zinc/63/33/09/558633309.db2.gz SZVYUSJSKIDLSY-OAQYLSRUSA-N 1 2 420.469 2.841 50 0 HFAALO CC[C@@]1(C)NC(=O)N(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)C1=O ZINC000014201397 558636758 /nfs/dbraw/zinc/63/67/58/558636758.db2.gz CLPHIKKGQVFMRL-GOSISDBHSA-N 1 2 406.533 2.564 50 0 HFAALO Cc1nn(C)cc1C[N@H+]1CC(=O)N(Cc2cccnc2)C[C@H](OCc2ccccc2)C1 ZINC000014533838 558657115 /nfs/dbraw/zinc/65/71/15/558657115.db2.gz RCPZUCBQIPSFFJ-HSZRJFAPSA-N 1 2 419.529 2.553 50 0 HFAALO Cc1nn(C)cc1C[N@@H+]1CC(=O)N(Cc2cccnc2)C[C@H](OCc2ccccc2)C1 ZINC000014533838 558657122 /nfs/dbraw/zinc/65/71/22/558657122.db2.gz RCPZUCBQIPSFFJ-HSZRJFAPSA-N 1 2 419.529 2.553 50 0 HFAALO C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000026303313 558658750 /nfs/dbraw/zinc/65/87/50/558658750.db2.gz LYWHJWROFCZELT-OAHLLOKOSA-N 1 2 402.520 2.646 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1Cl ZINC000029675219 558718717 /nfs/dbraw/zinc/71/87/17/558718717.db2.gz ODECAFJOQKOZLZ-KRWDZBQOSA-N 1 2 406.958 2.606 50 0 HFAALO Cc1cc2oc(=O)cc(CN3CC[NH+](CC(=O)N4CCCC[C@H]4C)CC3)c2cc1C ZINC000029677629 558718792 /nfs/dbraw/zinc/71/87/92/558718792.db2.gz YQWBRDJVPAHRIM-LJQANCHMSA-N 1 2 411.546 2.928 50 0 HFAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(CC(=O)N4CCCC[C@H]4C)CC3)c2cc1C ZINC000029677629 558718796 /nfs/dbraw/zinc/71/87/96/558718796.db2.gz YQWBRDJVPAHRIM-LJQANCHMSA-N 1 2 411.546 2.928 50 0 HFAALO C[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@H](c2ccccc2)C1 ZINC000029785766 558721104 /nfs/dbraw/zinc/72/11/04/558721104.db2.gz SXZJFOJVUFKDIF-NRFANRHFSA-N 1 2 413.543 2.504 50 0 HFAALO C[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)[C@H](c2ccccc2)C1 ZINC000029785766 558721107 /nfs/dbraw/zinc/72/11/07/558721107.db2.gz SXZJFOJVUFKDIF-NRFANRHFSA-N 1 2 413.543 2.504 50 0 HFAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CCNC(=O)c2ccccc2C)cc1 ZINC000030538597 558732163 /nfs/dbraw/zinc/73/21/63/558732163.db2.gz GTNDIBKDCMVAFE-QFIPXVFZSA-N 1 2 409.530 2.613 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1 ZINC000035877329 558795637 /nfs/dbraw/zinc/79/56/37/558795637.db2.gz FZYNKLRMYYSITA-IZZDOVSWSA-N 1 2 419.934 2.928 50 0 HFAALO COc1cc2nc(C[N@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)[nH]c(=O)c2cc1OC ZINC000016694732 558800703 /nfs/dbraw/zinc/80/07/03/558800703.db2.gz VYQBDOJKXFFNBQ-AWEZNQCLSA-N 1 2 420.473 2.714 50 0 HFAALO COc1cc2nc(C[N@@H+](C)[C@@H](C)c3ccc(-n4cncn4)cc3)[nH]c(=O)c2cc1OC ZINC000016694732 558800707 /nfs/dbraw/zinc/80/07/07/558800707.db2.gz VYQBDOJKXFFNBQ-AWEZNQCLSA-N 1 2 420.473 2.714 50 0 HFAALO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1 ZINC000038530518 558812264 /nfs/dbraw/zinc/81/22/64/558812264.db2.gz YHPDFMSEMBBIKJ-UHFFFAOYSA-N 1 2 409.534 2.573 50 0 HFAALO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1 ZINC000038530518 558812266 /nfs/dbraw/zinc/81/22/66/558812266.db2.gz YHPDFMSEMBBIKJ-UHFFFAOYSA-N 1 2 409.534 2.573 50 0 HFAALO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@H+](Cc1cccnc1)C2 ZINC000019145959 558846658 /nfs/dbraw/zinc/84/66/58/558846658.db2.gz BMDVYSWQLOETGZ-UHFFFAOYSA-N 1 2 404.518 2.817 50 0 HFAALO CC(C)Cn1nc(C(=O)NCc2cccnc2)c2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000019145959 558846659 /nfs/dbraw/zinc/84/66/59/558846659.db2.gz BMDVYSWQLOETGZ-UHFFFAOYSA-N 1 2 404.518 2.817 50 0 HFAALO O=C(c1ccc(C=C2SC(=O)NC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013692015 558855954 /nfs/dbraw/zinc/85/59/54/558855954.db2.gz CWRZWIRDSFEQLU-RGEXLXHISA-N 1 2 407.495 2.969 50 0 HFAALO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000055227604 558876943 /nfs/dbraw/zinc/87/69/43/558876943.db2.gz IPQCJJCLFDQWDY-OAQYLSRUSA-N 1 2 409.486 2.965 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)CC1 ZINC000055575510 558883158 /nfs/dbraw/zinc/88/31/58/558883158.db2.gz HQXVFCUVIYURRC-GOSISDBHSA-N 1 2 417.554 2.836 50 0 HFAALO CNS(=O)(=O)c1cccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000058157442 558903264 /nfs/dbraw/zinc/90/32/64/558903264.db2.gz GEHQGWOFAOOEFO-UHFFFAOYSA-N 1 2 417.535 2.692 50 0 HFAALO CC(=O)N[C@@H]1CC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000071759411 558909853 /nfs/dbraw/zinc/90/98/53/558909853.db2.gz FMUNPEQXAHMGMB-MRXNPFEDSA-N 1 2 403.552 2.513 50 0 HFAALO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000071759411 558909855 /nfs/dbraw/zinc/90/98/55/558909855.db2.gz FMUNPEQXAHMGMB-MRXNPFEDSA-N 1 2 403.552 2.513 50 0 HFAALO COc1cccc(C(=O)N2CCN(C(=O)Cn3cc[nH+]c3-c3ccccc3)CC2)c1 ZINC000091519088 559071983 /nfs/dbraw/zinc/07/19/83/559071983.db2.gz FUWUJRGFVDXKQI-UHFFFAOYSA-N 1 2 404.470 2.543 50 0 HFAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)c1ccc(CSC)o1)CC2 ZINC000095517672 559084806 /nfs/dbraw/zinc/08/48/06/559084806.db2.gz MKVXPQNZHQMDAL-UHFFFAOYSA-N 1 2 402.520 2.792 50 0 HFAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(O)c(OC)c2)C[C@@H]1CCO ZINC000095531250 559087097 /nfs/dbraw/zinc/08/70/97/559087097.db2.gz XPVIKRPLURZNEB-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(O)c(OC)c2)C[C@@H]1CCO ZINC000095531250 559087098 /nfs/dbraw/zinc/08/70/98/559087098.db2.gz XPVIKRPLURZNEB-FQEVSTJZSA-N 1 2 400.519 2.868 50 0 HFAALO Cc1[nH+]c(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccccc1F ZINC000096317053 559109789 /nfs/dbraw/zinc/10/97/89/559109789.db2.gz VISGECLAESOOAX-UHFFFAOYSA-N 1 2 406.527 2.720 50 0 HFAALO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000100328054 559134138 /nfs/dbraw/zinc/13/41/38/559134138.db2.gz SKRMGAKPBZQYJE-PABBZOGXSA-N 1 2 405.498 2.658 50 0 HFAALO NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000023377782 559173540 /nfs/dbraw/zinc/17/35/40/559173540.db2.gz WQIQCLUUTJDIKN-SFHVURJKSA-N 1 2 420.435 2.759 50 0 HFAALO CS(=O)(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000023549307 559176848 /nfs/dbraw/zinc/17/68/48/559176848.db2.gz OFPFRWVGZPWOER-UHFFFAOYSA-N 1 2 407.923 2.670 50 0 HFAALO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000011719586 559255047 /nfs/dbraw/zinc/25/50/47/559255047.db2.gz FIJGKAGLHSRFOJ-AWEZNQCLSA-N 1 2 423.560 2.527 50 0 HFAALO Cc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1C ZINC000100754492 559263545 /nfs/dbraw/zinc/26/35/45/559263545.db2.gz XOHWHJVNFRPPHI-FQEVSTJZSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO Cc1ccc(F)c(S(=O)(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1 ZINC000253426847 559280391 /nfs/dbraw/zinc/28/03/91/559280391.db2.gz BEWLITYOGPUGQS-MRXNPFEDSA-N 1 2 405.495 2.971 50 0 HFAALO CCOC(=O)Cc1cs/c(=N\c2ccc(OC)cc2)n1CCC[NH+]1CCOCC1 ZINC000005298952 560563971 /nfs/dbraw/zinc/56/39/71/560563971.db2.gz VRPMXYIITCBNEN-DQRAZIAOSA-N 1 2 419.547 2.619 50 0 HFAALO NC(=O)C1CC[NH+](CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)CC1 ZINC000005451416 560590400 /nfs/dbraw/zinc/59/04/00/560590400.db2.gz WUKURRWBAMLMMG-UHFFFAOYSA-N 1 2 405.454 2.596 50 0 HFAALO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)c(C)n1Cc1ccccn1 ZINC000048288386 568434795 /nfs/dbraw/zinc/43/47/95/568434795.db2.gz HPEXKPFRJPDHKP-UHFFFAOYSA-N 1 2 405.502 2.710 50 0 HFAALO COc1ccc(CCNC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1OC ZINC000604418848 568493013 /nfs/dbraw/zinc/49/30/13/568493013.db2.gz MSJNNZLABMWQMQ-UHFFFAOYSA-N 1 2 423.517 2.665 50 0 HFAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000022773533 568499525 /nfs/dbraw/zinc/49/95/25/568499525.db2.gz OXLNDIRADABASR-RMKNXTFCSA-N 1 2 418.541 2.848 50 0 HFAALO Cc1onc(-c2ccccc2)c1C(=O)c1c[nH]c(C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020388222 568603777 /nfs/dbraw/zinc/60/37/77/568603777.db2.gz NDCJGBXJSNMZAM-UHFFFAOYSA-N 1 2 422.485 2.661 50 0 HFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(Cl)c1C)[N@H+](C)CC3)OCO2 ZINC000020412849 568605711 /nfs/dbraw/zinc/60/57/11/568605711.db2.gz HMNCRJABNGESIS-QGZVFWFLSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(Cl)c1C)[N@@H+](C)CC3)OCO2 ZINC000020412849 568605712 /nfs/dbraw/zinc/60/57/12/568605712.db2.gz HMNCRJABNGESIS-QGZVFWFLSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000020489163 568613989 /nfs/dbraw/zinc/61/39/89/568613989.db2.gz SYKMZZIHZMYFCA-UHFFFAOYSA-N 1 2 408.527 2.671 50 0 HFAALO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000040142201 568624365 /nfs/dbraw/zinc/62/43/65/568624365.db2.gz PIYYNHRXLHZNCZ-KGVIQGDOSA-N 1 2 424.545 2.766 50 0 HFAALO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(Br)cncc2Br)C1 ZINC000225422341 568636711 /nfs/dbraw/zinc/63/67/11/568636711.db2.gz FETQTVRYAPSYHX-LLVKDONJSA-N 1 2 405.134 2.907 50 0 HFAALO CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(Br)cncc2Br)C1 ZINC000225422341 568636715 /nfs/dbraw/zinc/63/67/15/568636715.db2.gz FETQTVRYAPSYHX-LLVKDONJSA-N 1 2 405.134 2.907 50 0 HFAALO CCc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611871 568637568 /nfs/dbraw/zinc/63/75/68/568637568.db2.gz NCTBNFAOHGPUNA-NRFANRHFSA-N 1 2 416.481 2.852 50 0 biogenic HFAALO CCc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)cc1 ZINC000020611871 568637569 /nfs/dbraw/zinc/63/75/69/568637569.db2.gz NCTBNFAOHGPUNA-NRFANRHFSA-N 1 2 416.481 2.852 50 0 biogenic HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2cc(C)ccc2C)CC1 ZINC000020730261 568640982 /nfs/dbraw/zinc/64/09/82/568640982.db2.gz RGOWGZUYAZKWNU-UHFFFAOYSA-N 1 2 418.607 2.645 50 0 HFAALO COCC(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020942370 568652922 /nfs/dbraw/zinc/65/29/22/568652922.db2.gz VVPPTBUVWJYAHE-UHFFFAOYSA-N 1 2 407.470 2.976 50 0 HFAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc4nccnc4c3)CC2)c(OC)c1 ZINC000021648946 568728663 /nfs/dbraw/zinc/72/86/63/568728663.db2.gz QJXMIGUTMJEGNR-UHFFFAOYSA-N 1 2 407.474 2.997 50 0 HFAALO CCC[NH+]1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)CC1 ZINC000096379708 568741400 /nfs/dbraw/zinc/74/14/00/568741400.db2.gz IXEFLJSKXIGGNM-UHFFFAOYSA-N 1 2 407.540 2.665 50 0 HFAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C(N)=O)cc4)C3)no2)cc1 ZINC000021724650 568751284 /nfs/dbraw/zinc/75/12/84/568751284.db2.gz UOMLDYQGQKDABA-GOSISDBHSA-N 1 2 419.485 2.995 50 0 HFAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C(N)=O)cc4)C3)no2)cc1 ZINC000021724650 568751286 /nfs/dbraw/zinc/75/12/86/568751286.db2.gz UOMLDYQGQKDABA-GOSISDBHSA-N 1 2 419.485 2.995 50 0 HFAALO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[NH+](CCc2ccccn2)CC1 ZINC000334162331 568763844 /nfs/dbraw/zinc/76/38/44/568763844.db2.gz MLRNSEOYUSBENN-UHFFFAOYSA-N 1 2 415.437 2.529 50 0 HFAALO Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)N1CC[NH+](C)CC1 ZINC000002459708 568771887 /nfs/dbraw/zinc/77/18/87/568771887.db2.gz GPKKLTDYPHCDAA-UHFFFAOYSA-N 1 2 419.547 2.694 50 0 HFAALO Cc1cc(NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2Cc2ccccc2)no1 ZINC000002663330 568799766 /nfs/dbraw/zinc/79/97/66/568799766.db2.gz IOWSCODSLOWXSF-AWEZNQCLSA-N 1 2 400.508 2.976 50 0 HFAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000028726171 568804093 /nfs/dbraw/zinc/80/40/93/568804093.db2.gz GJTFICJORJAICZ-MJGOQNOKSA-N 1 2 412.486 2.797 50 0 HFAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000028726171 568804095 /nfs/dbraw/zinc/80/40/95/568804095.db2.gz GJTFICJORJAICZ-MJGOQNOKSA-N 1 2 412.486 2.797 50 0 HFAALO CCOC(=O)COc1coc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1=O ZINC000056949894 568821936 /nfs/dbraw/zinc/82/19/36/568821936.db2.gz WZXMAPSTXSJRDK-UHFFFAOYSA-N 1 2 406.866 2.557 50 0 HFAALO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OC(F)F ZINC000029850126 568838400 /nfs/dbraw/zinc/83/84/00/568838400.db2.gz LPPFHQCNEUYUHI-SNVBAGLBSA-N 1 2 413.446 2.916 50 0 HFAALO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2sccc2C(N)=O)ccc1OC(F)F ZINC000029850126 568838402 /nfs/dbraw/zinc/83/84/02/568838402.db2.gz LPPFHQCNEUYUHI-SNVBAGLBSA-N 1 2 413.446 2.916 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000003217930 568847081 /nfs/dbraw/zinc/84/70/81/568847081.db2.gz SFUURVPDTSZPPJ-UHFFFAOYSA-N 1 2 402.451 2.643 50 0 HFAALO COc1ccc([C@H](NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c2[nH+]ccn2C)cc1 ZINC000012547352 568851245 /nfs/dbraw/zinc/85/12/45/568851245.db2.gz KOXZRCQGKPVIFC-IBGZPJMESA-N 1 2 420.448 2.976 50 0 HFAALO Cc1[nH]c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)cc2[nH+]1 ZINC000012548015 568851284 /nfs/dbraw/zinc/85/12/84/568851284.db2.gz UCXOCBINRMRJAP-GOSISDBHSA-N 1 2 402.451 2.802 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000012560371 568858296 /nfs/dbraw/zinc/85/82/96/568858296.db2.gz YEBCJHBYTRPXEO-SFHVURJKSA-N 1 2 400.841 2.848 50 0 HFAALO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2cscn2)CC1 ZINC000299801137 568876722 /nfs/dbraw/zinc/87/67/22/568876722.db2.gz YQTSOKBDDYRRRK-IBGZPJMESA-N 1 2 405.495 2.553 50 0 HFAALO COc1ccccc1N1CC[NH+]([C@H](CNC(=O)c2ccco2)c2cccnc2)CC1 ZINC000058134049 568890046 /nfs/dbraw/zinc/89/00/46/568890046.db2.gz XBLQAZLPKSLIOW-HXUWFJFHSA-N 1 2 406.486 2.977 50 0 HFAALO CC(C)C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)N1C(=O)c2ccccc2C1=O ZINC000012666900 568907219 /nfs/dbraw/zinc/90/72/19/568907219.db2.gz OJEIYHBQJRQWQT-IBGZPJMESA-N 1 2 404.470 2.704 50 0 HFAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000003586174 568917567 /nfs/dbraw/zinc/91/75/67/568917567.db2.gz TYLQVMNRLFAHGQ-UHFFFAOYSA-N 1 2 410.268 2.509 50 0 HFAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NC(=O)NCc1ccco1 ZINC000003586174 568917571 /nfs/dbraw/zinc/91/75/71/568917571.db2.gz TYLQVMNRLFAHGQ-UHFFFAOYSA-N 1 2 410.268 2.509 50 0 HFAALO C[C@@H](Sc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)C(=O)c1ccc(F)cc1 ZINC000031753970 568930317 /nfs/dbraw/zinc/93/03/17/568930317.db2.gz MOEVVJNRQYNSEE-CQSZACIVSA-N 1 2 423.535 2.520 50 0 HFAALO COc1ccc(CNC(=O)c2nc(-c3ccc(Cn4cc[nH+]c4)cc3)no2)cc1OC ZINC000031810902 568932522 /nfs/dbraw/zinc/93/25/22/568932522.db2.gz YIBKURXDXQJPIM-UHFFFAOYSA-N 1 2 419.441 2.929 50 0 HFAALO CC[C@@H](c1nnc(SCC(=O)NC[C@H]2CCCO2)n1Cc1ccccc1)[NH+](C)C ZINC000004195231 568951202 /nfs/dbraw/zinc/95/12/02/568951202.db2.gz JBCJNEFNZROGIW-MSOLQXFVSA-N 1 2 417.579 2.726 50 0 HFAALO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008268482 568986212 /nfs/dbraw/zinc/98/62/12/568986212.db2.gz LSDBXGBVHKEMPM-MRXNPFEDSA-N 1 2 419.547 2.713 50 0 HFAALO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008268482 568986215 /nfs/dbraw/zinc/98/62/15/568986215.db2.gz LSDBXGBVHKEMPM-MRXNPFEDSA-N 1 2 419.547 2.713 50 0 HFAALO C[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000008345506 568994390 /nfs/dbraw/zinc/99/43/90/568994390.db2.gz MMDSZUJJMKXERA-WMZOPIPTSA-N 1 2 415.563 2.639 50 0 HFAALO C[C@@]1(NC(=O)C[N@H+](CCc2cccs2)Cc2cccs2)CCS(=O)(=O)C1 ZINC000012882242 569018775 /nfs/dbraw/zinc/01/87/75/569018775.db2.gz QSQMQYKOMKXVMI-GOSISDBHSA-N 1 2 412.602 2.548 50 0 HFAALO C[C@@]1(NC(=O)C[N@@H+](CCc2cccs2)Cc2cccs2)CCS(=O)(=O)C1 ZINC000012882242 569018776 /nfs/dbraw/zinc/01/87/76/569018776.db2.gz QSQMQYKOMKXVMI-GOSISDBHSA-N 1 2 412.602 2.548 50 0 HFAALO CNC(=O)c1ccc(C[N@H+](C)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012914191 569022155 /nfs/dbraw/zinc/02/21/55/569022155.db2.gz VMYNZKCKAHPBND-CQSZACIVSA-N 1 2 414.893 2.946 50 0 HFAALO CNC(=O)c1ccc(C[N@@H+](C)CN2C(=O)[C@@H](C)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000012914191 569022156 /nfs/dbraw/zinc/02/21/56/569022156.db2.gz VMYNZKCKAHPBND-CQSZACIVSA-N 1 2 414.893 2.946 50 0 HFAALO O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000575414649 569025547 /nfs/dbraw/zinc/02/55/47/569025547.db2.gz SZJDEWSCYLTBLC-OAHLLOKOSA-N 1 2 404.396 2.578 50 0 HFAALO C/C=C/Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccccc2F)n(C)c1=O ZINC000008704309 569031958 /nfs/dbraw/zinc/03/19/58/569031958.db2.gz LNEWGOBBQXRSGY-VBROQKIQSA-N 1 2 410.453 2.569 50 0 HFAALO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000090609408 569042462 /nfs/dbraw/zinc/04/24/62/569042462.db2.gz NFOAMSLDIDPOEG-UHFFFAOYSA-N 1 2 404.449 2.822 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCc3cccc(=O)[nH]3)csc2C1 ZINC000426374433 569072577 /nfs/dbraw/zinc/07/25/77/569072577.db2.gz VATORFYNIJHWFN-UHFFFAOYSA-N 1 2 412.515 2.984 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCc3cccc(=O)[nH]3)csc2C1 ZINC000426374433 569072578 /nfs/dbraw/zinc/07/25/78/569072578.db2.gz VATORFYNIJHWFN-UHFFFAOYSA-N 1 2 412.515 2.984 50 0 HFAALO CCc1noc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)n1 ZINC000426415269 569072839 /nfs/dbraw/zinc/07/28/39/569072839.db2.gz FQIZGDXNQGFQMG-UHFFFAOYSA-N 1 2 401.492 2.787 50 0 HFAALO CCc1noc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)n1 ZINC000426415269 569072840 /nfs/dbraw/zinc/07/28/40/569072840.db2.gz FQIZGDXNQGFQMG-UHFFFAOYSA-N 1 2 401.492 2.787 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC(C)(C)C(=O)NC)csc3C2)nc1 ZINC000426434419 569072964 /nfs/dbraw/zinc/07/29/64/569072964.db2.gz GEAXUEBPEZPKKE-UHFFFAOYSA-N 1 2 400.548 2.518 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC(C)(C)C(=O)NC)csc3C2)nc1 ZINC000426434419 569072965 /nfs/dbraw/zinc/07/29/65/569072965.db2.gz GEAXUEBPEZPKKE-UHFFFAOYSA-N 1 2 400.548 2.518 50 0 HFAALO CC[C@@H](C)N1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024497 569077561 /nfs/dbraw/zinc/07/75/61/569077561.db2.gz JUYSGSSGCXUYSD-MJGOQNOKSA-N 1 2 407.580 2.731 50 0 HFAALO O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCCCn1cc[nH+]c1 ZINC000006659682 569083972 /nfs/dbraw/zinc/08/39/72/569083972.db2.gz NHNOEZQKIINXME-UHFFFAOYSA-N 1 2 401.850 2.717 50 0 HFAALO O=C(Nc1cc(F)ccc1Cl)c1ccc2c(c1)nnn2CC[NH+]1CCOCC1 ZINC000064761158 569091258 /nfs/dbraw/zinc/09/12/58/569091258.db2.gz CWXXFDWCKVNBGT-UHFFFAOYSA-N 1 2 403.845 2.808 50 0 HFAALO CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158934 569102524 /nfs/dbraw/zinc/10/25/24/569102524.db2.gz ACHOVCXUQLMNMK-MRXNPFEDSA-N 1 2 413.543 2.873 50 0 HFAALO CCOC[C@H](O)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036158934 569102526 /nfs/dbraw/zinc/10/25/26/569102526.db2.gz ACHOVCXUQLMNMK-MRXNPFEDSA-N 1 2 413.543 2.873 50 0 HFAALO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCCC4)o3)co2)CC1 ZINC000065246706 569205646 /nfs/dbraw/zinc/20/56/46/569205646.db2.gz RLXUYRNGPRVRFZ-UHFFFAOYSA-N 1 2 408.524 2.950 50 0 HFAALO O=C(c1ccsc1)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293311 569218482 /nfs/dbraw/zinc/21/84/82/569218482.db2.gz NFNMUUPJFFVFFN-IBGZPJMESA-N 1 2 401.507 2.836 50 0 HFAALO O=C(c1ccsc1)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293311 569218484 /nfs/dbraw/zinc/21/84/84/569218484.db2.gz NFNMUUPJFFVFFN-IBGZPJMESA-N 1 2 401.507 2.836 50 0 HFAALO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ncc(C)s3)CC2)c(OC)c1 ZINC000036709267 569223927 /nfs/dbraw/zinc/22/39/27/569223927.db2.gz ZLLHVRSLWRSYKF-UHFFFAOYSA-N 1 2 418.519 2.758 50 0 HFAALO O=C(CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000007318575 569233367 /nfs/dbraw/zinc/23/33/67/569233367.db2.gz KVHYHAWTLHDJAV-SFHVURJKSA-N 1 2 415.563 2.641 50 0 HFAALO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)CC1 ZINC000007435591 569238871 /nfs/dbraw/zinc/23/88/71/569238871.db2.gz DIXOVDHYSWEZPJ-GOSISDBHSA-N 1 2 420.469 2.901 50 0 HFAALO COc1ccc([C@@H](NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2[nH+]ccn2C)cc1 ZINC000014118567 569258665 /nfs/dbraw/zinc/25/86/65/569258665.db2.gz UFGQHFSWSFGSAJ-GOSISDBHSA-N 1 2 420.391 2.515 50 0 HFAALO CC1(C)c2cc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)ccc2NC1=O ZINC000089919732 569268614 /nfs/dbraw/zinc/26/86/14/569268614.db2.gz RJBMEEDWNRCSNQ-UHFFFAOYSA-N 1 2 420.513 2.749 50 0 HFAALO O=C(C[NH+]1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1)N1CCCC1 ZINC000037378492 569291728 /nfs/dbraw/zinc/29/17/28/569291728.db2.gz LMUFHDMHPDDKAM-UHFFFAOYSA-N 1 2 419.888 2.806 50 0 HFAALO CC(C)(CNC(=O)COc1ccc(Cl)cc1Br)[NH+]1CCOCC1 ZINC000027310796 569293357 /nfs/dbraw/zinc/29/33/57/569293357.db2.gz XEGJKNKBMGQHGI-UHFFFAOYSA-N 1 2 405.720 2.708 50 0 HFAALO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc2c(c1)OCO2 ZINC000007640230 569298103 /nfs/dbraw/zinc/29/81/03/569298103.db2.gz XIJCNUXXAOWFGW-UHFFFAOYSA-N 1 2 401.488 2.525 50 0 HFAALO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc2c(c1)OCO2 ZINC000007640230 569298105 /nfs/dbraw/zinc/29/81/05/569298105.db2.gz XIJCNUXXAOWFGW-UHFFFAOYSA-N 1 2 401.488 2.525 50 0 HFAALO CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253394593 569365096 /nfs/dbraw/zinc/36/50/96/569365096.db2.gz BHSLUAPOXOGGEU-MRXNPFEDSA-N 1 2 403.504 2.523 50 0 HFAALO C[C@@H]1CN(c2ccc(CNC(=O)c3cccnc3OCC(F)(F)F)c[nH+]2)CCO1 ZINC000040112416 571170496 /nfs/dbraw/zinc/17/04/96/571170496.db2.gz DREZNPMJBZSXTB-CYBMUJFWSA-N 1 2 410.396 2.573 50 0 HFAALO C[C@H]1CN(c2ccc(CNC(=O)c3cccnc3OCC(F)(F)F)c[nH+]2)CCO1 ZINC000040112419 571170579 /nfs/dbraw/zinc/17/05/79/571170579.db2.gz DREZNPMJBZSXTB-ZDUSSCGKSA-N 1 2 410.396 2.573 50 0 HFAALO CN(Cc1cccc(F)c1)C(=O)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040120345 571176232 /nfs/dbraw/zinc/17/62/32/571176232.db2.gz IAXCOZDJBGZLJL-QFIPXVFZSA-N 1 2 409.505 2.833 50 0 HFAALO CN(Cc1cccc(F)c1)C(=O)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040120345 571176233 /nfs/dbraw/zinc/17/62/33/571176233.db2.gz IAXCOZDJBGZLJL-QFIPXVFZSA-N 1 2 409.505 2.833 50 0 HFAALO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2 ZINC000009526797 571266004 /nfs/dbraw/zinc/26/60/04/571266004.db2.gz YDASTFQFUZVURG-UHFFFAOYSA-N 1 2 408.477 2.738 50 0 biogenic HFAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1nc2ccccc2s1 ZINC000040266872 571305800 /nfs/dbraw/zinc/30/58/00/571305800.db2.gz MCVHVOBXOWKZST-UHFFFAOYSA-N 1 2 409.515 3.149 50 0 HFAALO CCCN(C)C(=O)c1coc(CN2CC[NH+](Cc3ccc(OCC)cc3)CC2)n1 ZINC000034678367 571316433 /nfs/dbraw/zinc/31/64/33/571316433.db2.gz OSZWYQVDUNNEMQ-UHFFFAOYSA-N 1 2 400.523 2.873 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CC(=O)Nc2ccccc21 ZINC000003550348 132266843 /nfs/dbraw/zinc/26/68/43/132266843.db2.gz UFWWZJUUXNHORJ-UHFFFAOYSA-N 1 2 416.466 2.893 50 0 HFAALO Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000004741660 132286678 /nfs/dbraw/zinc/28/66/78/132286678.db2.gz PBWGBZZWBHEIEO-UHFFFAOYSA-N 1 2 418.497 2.720 50 0 HFAALO CN1CCc2c1[nH+]c1ccccc1c2NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000004797608 132288932 /nfs/dbraw/zinc/28/89/32/132288932.db2.gz MFVMNUFCTINRIV-UHFFFAOYSA-N 1 2 401.514 2.988 50 0 HFAALO Cc1cc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)n2ncnc2n1 ZINC000006786307 132316456 /nfs/dbraw/zinc/31/64/56/132316456.db2.gz YNMLIZBATMRDLA-UHFFFAOYSA-N 1 2 414.473 2.534 50 0 HFAALO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000010719735 132346426 /nfs/dbraw/zinc/34/64/26/132346426.db2.gz JHAMLFRILBTLEO-UHFFFAOYSA-N 1 2 400.529 2.962 50 0 HFAALO O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2cccc[nH+]2)CC1 ZINC000011856892 132351462 /nfs/dbraw/zinc/35/14/62/132351462.db2.gz YLTNNMYWQGNYLP-UHFFFAOYSA-N 1 2 409.417 2.715 50 0 HFAALO COc1cccc(COc2coc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2=O)c1 ZINC000011963398 132352720 /nfs/dbraw/zinc/35/27/20/132352720.db2.gz IKQXNDPZKHSQLK-UHFFFAOYSA-N 1 2 421.453 2.585 50 0 HFAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)Oc2ccccc21 ZINC000012543547 132362595 /nfs/dbraw/zinc/36/25/95/132362595.db2.gz AYHQAPLXCHAOCK-PNLZDCPESA-N 1 2 400.523 2.664 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)Oc2ccccc21 ZINC000012543547 132362597 /nfs/dbraw/zinc/36/25/97/132362597.db2.gz AYHQAPLXCHAOCK-PNLZDCPESA-N 1 2 400.523 2.664 50 0 HFAALO COc1cccc(CN(C)C(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000012735039 132366294 /nfs/dbraw/zinc/36/62/94/132366294.db2.gz ADTSWXAPDFXFGT-UHFFFAOYSA-N 1 2 411.550 2.698 50 0 HFAALO CC(C)[NH+](CC(=O)N1CCc2sccc2C1)CC(=O)N1CCc2sccc2C1 ZINC000032925319 519635832 /nfs/dbraw/zinc/63/58/32/519635832.db2.gz YRYOGCHPLMQURA-UHFFFAOYSA-N 1 2 417.600 2.990 50 0 HFAALO CC(=O)N[C@H](CC(=O)N1CC[NH+](Cc2c(C)nc3ccccn32)CC1)c1ccccc1 ZINC000032676102 519694894 /nfs/dbraw/zinc/69/48/94/519694894.db2.gz HZDIXJXJGIHFEC-OAQYLSRUSA-N 1 2 419.529 2.554 50 0 HFAALO CC(=O)N[C@H](CC(=O)N1CCN(Cc2c(C)[nH+]c3ccccn32)CC1)c1ccccc1 ZINC000032676102 519694898 /nfs/dbraw/zinc/69/48/98/519694898.db2.gz HZDIXJXJGIHFEC-OAQYLSRUSA-N 1 2 419.529 2.554 50 0 HFAALO COC(=O)c1ccc(C(=O)OC)c(NC(=O)NCCn2c(C)[nH+]c3ccccc32)c1 ZINC000032951052 521980735 /nfs/dbraw/zinc/98/07/35/521980735.db2.gz MGYPUISQCQQTAT-UHFFFAOYSA-N 1 2 410.430 2.740 50 0 HFAALO COc1cc(OC)cc([C@@H](NC(=O)[C@@H]2COc3ccccc3C2)c2[nH+]ccn2C)c1 ZINC000032843507 522875141 /nfs/dbraw/zinc/87/51/41/522875141.db2.gz KSHMMTQVFUDXNT-LAUBAEHRSA-N 1 2 407.470 2.894 50 0 HFAALO CCn1c2ccc(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2nc(C)c1=O ZINC000032860051 523261359 /nfs/dbraw/zinc/26/13/59/523261359.db2.gz FJWZZRZZRCHODP-UHFFFAOYSA-N 1 2 401.470 2.900 50 0 HFAALO Cc1ccc(-c2nc(CN3CC[NH+](CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)no2)cc1 ZINC000032760103 525811446 /nfs/dbraw/zinc/81/14/46/525811446.db2.gz GLUYPCKPYWKZKL-RTBURBONSA-N 1 2 411.550 2.667 50 0 HFAALO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCC[NH+]4CCOCC4)cc3)n2)cc1 ZINC000032579126 525869917 /nfs/dbraw/zinc/86/99/17/525869917.db2.gz UEPJOONEKHDNIQ-UHFFFAOYSA-N 1 2 422.485 2.539 50 0 HFAALO Cc1c(OCC(=O)NCC[NH+]2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000020547910 525881510 /nfs/dbraw/zinc/88/15/10/525881510.db2.gz DBFUEAQLZRCCAA-UHFFFAOYSA-N 1 2 422.481 2.596 50 0 biogenic HFAALO O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000032962491 526524759 /nfs/dbraw/zinc/52/47/59/526524759.db2.gz LPIPNUFXJYYPRK-LZMFZKJZSA-N 1 2 403.526 2.893 50 0 HFAALO O=C(c1cnc2ccccn2c1=O)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032900070 526876821 /nfs/dbraw/zinc/87/68/21/526876821.db2.gz RGQSYXZNFQXVHW-UHFFFAOYSA-N 1 2 416.403 2.671 50 0 HFAALO Cc1nc(COc2ccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)cc2)no1 ZINC000032879665 526905402 /nfs/dbraw/zinc/90/54/02/526905402.db2.gz AGMNOXFMIBUDDR-UHFFFAOYSA-N 1 2 422.485 2.719 50 0 HFAALO Cn1c(=O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)n(-c2ccc(Cl)cc2)c1=O ZINC000020567641 527024755 /nfs/dbraw/zinc/02/47/55/527024755.db2.gz DHNROQIXDUKMJQ-IBGZPJMESA-N 1 2 422.872 2.612 50 0 biogenic HFAALO Cn1c(=O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)n(-c2ccc(Cl)cc2)c1=O ZINC000020567642 527024836 /nfs/dbraw/zinc/02/48/36/527024836.db2.gz DHNROQIXDUKMJQ-LJQANCHMSA-N 1 2 422.872 2.612 50 0 biogenic HFAALO CCOc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4cccs4)CC3)CC2=O)cc1 ZINC000022691948 557778716 /nfs/dbraw/zinc/77/87/16/557778716.db2.gz FMBBGYDUHXWEJW-KRWDZBQOSA-N 1 2 413.543 2.844 50 0 HFAALO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)no1 ZINC000022766686 557814699 /nfs/dbraw/zinc/81/46/99/557814699.db2.gz BEAVALKMUUTLSE-SFHVURJKSA-N 1 2 410.499 2.899 50 0 HFAALO Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)no1 ZINC000022766686 557814700 /nfs/dbraw/zinc/81/47/00/557814700.db2.gz BEAVALKMUUTLSE-SFHVURJKSA-N 1 2 410.499 2.899 50 0 HFAALO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1O ZINC000097514684 557817807 /nfs/dbraw/zinc/81/78/07/557817807.db2.gz XTNKPXKLLCKKQG-OAQYLSRUSA-N 1 2 416.481 2.989 50 0 biogenic HFAALO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1O ZINC000097514684 557817811 /nfs/dbraw/zinc/81/78/11/557817811.db2.gz XTNKPXKLLCKKQG-OAQYLSRUSA-N 1 2 416.481 2.989 50 0 biogenic HFAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000022788069 557820651 /nfs/dbraw/zinc/82/06/51/557820651.db2.gz QPHIFNOVONGPAN-FQEVSTJZSA-N 1 2 420.557 2.921 50 0 HFAALO Cc1cc(C)c(NC(=O)CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c(Cl)c1 ZINC000022915780 558259457 /nfs/dbraw/zinc/25/94/57/558259457.db2.gz KPZRMOBTXXRPHC-UHFFFAOYSA-N 1 2 406.958 2.525 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3cc(Cl)c(O)c(OC)c3)C2)CC1 ZINC000022919546 558263090 /nfs/dbraw/zinc/26/30/90/558263090.db2.gz MFGHAQDLWNTXHX-INIZCTEOSA-N 1 2 411.930 2.793 50 0 HFAALO COc1ccccc1C(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000019745601 558265991 /nfs/dbraw/zinc/26/59/91/558265991.db2.gz JXVUSZXOZLURAK-UHFFFAOYSA-N 1 2 420.469 2.772 50 0 HFAALO CN(Cc1c[nH+]c2ccccn12)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 ZINC000011818943 558282159 /nfs/dbraw/zinc/28/21/59/558282159.db2.gz NHYXEHRLFDHBCG-UHFFFAOYSA-N 1 2 405.414 2.637 50 0 HFAALO COc1ccccc1-n1cc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cn1 ZINC000019792604 558283408 /nfs/dbraw/zinc/28/34/08/558283408.db2.gz JSGVBSQJMLVERR-QFIPXVFZSA-N 1 2 421.545 2.653 50 0 HFAALO COc1ccccc1-n1cc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cn1 ZINC000019792604 558283409 /nfs/dbraw/zinc/28/34/09/558283409.db2.gz JSGVBSQJMLVERR-QFIPXVFZSA-N 1 2 421.545 2.653 50 0 HFAALO Cc1ccc(-c2cc3nc(SCC[NH+]4CCOCC4)n(N)c(=O)c3s2)cc1 ZINC000019797168 558284516 /nfs/dbraw/zinc/28/45/16/558284516.db2.gz RMPPHVRZHOTFKV-UHFFFAOYSA-N 1 2 402.545 2.572 50 0 HFAALO CC[C@@H]1C[N@H+](CCNC(=O)CSc2nnc(C)s2)Cc2cc(OC)ccc2O1 ZINC000011997452 558307260 /nfs/dbraw/zinc/30/72/60/558307260.db2.gz ACOUOZIBUDBRNN-OAHLLOKOSA-N 1 2 422.576 2.737 50 0 HFAALO CC[C@@H]1C[N@@H+](CCNC(=O)CSc2nnc(C)s2)Cc2cc(OC)ccc2O1 ZINC000011997452 558307262 /nfs/dbraw/zinc/30/72/62/558307262.db2.gz ACOUOZIBUDBRNN-OAHLLOKOSA-N 1 2 422.576 2.737 50 0 HFAALO CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000020029130 558323552 /nfs/dbraw/zinc/32/35/52/558323552.db2.gz FGVQFXYMVIQAAD-SFHVURJKSA-N 1 2 403.910 2.860 50 0 HFAALO COc1ccc2c(c1)[nH]cc2C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020392610 558359272 /nfs/dbraw/zinc/35/92/72/558359272.db2.gz NANOCPXOCZZAOI-UHFFFAOYSA-N 1 2 407.470 2.906 50 0 HFAALO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421526 558361950 /nfs/dbraw/zinc/36/19/50/558361950.db2.gz VDNKERVMQDDWGS-SFHVURJKSA-N 1 2 423.435 2.865 50 0 HFAALO COCCc1nc2ccc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)cc2o1 ZINC000020455490 558369203 /nfs/dbraw/zinc/36/92/03/558369203.db2.gz CYWHFJCVQTWYME-UHFFFAOYSA-N 1 2 409.486 2.854 50 0 HFAALO COC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000020500667 558380710 /nfs/dbraw/zinc/38/07/10/558380710.db2.gz BVPBMEXSDNTZKR-HXUWFJFHSA-N 1 2 408.454 2.996 50 0 HFAALO O=S1(=O)CC[C@@H]([N@H+](CCO)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012446261 558413995 /nfs/dbraw/zinc/41/39/95/558413995.db2.gz ISALEOSCDOPNSJ-OAQYLSRUSA-N 1 2 411.527 2.725 50 0 HFAALO O=S1(=O)CC[C@@H]([N@@H+](CCO)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012446261 558413997 /nfs/dbraw/zinc/41/39/97/558413997.db2.gz ISALEOSCDOPNSJ-OAQYLSRUSA-N 1 2 411.527 2.725 50 0 HFAALO Cn1cc(C[NH+]2CCN(C(=O)c3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020907668 558421381 /nfs/dbraw/zinc/42/13/81/558421381.db2.gz LTQAQPWNLNYSIE-UHFFFAOYSA-N 1 2 424.526 2.878 50 0 HFAALO O=C(COc1ccc(Br)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000021786915 558448635 /nfs/dbraw/zinc/44/86/35/558448635.db2.gz DSYDHTGARURISU-UHFFFAOYSA-N 1 2 404.308 2.610 50 0 HFAALO COC(=O)c1ccc(C)c(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000012990180 558496582 /nfs/dbraw/zinc/49/65/82/558496582.db2.gz FNNKTQWWXZEPHF-UHFFFAOYSA-N 1 2 415.534 2.835 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(Cl)cc1 ZINC000022749955 558507329 /nfs/dbraw/zinc/50/73/29/558507329.db2.gz CCKFWXABVBIFOY-QGZVFWFLSA-N 1 2 408.845 2.819 50 0 HFAALO CCN(C(=O)C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)C1CCCCC1 ZINC000022779050 558509605 /nfs/dbraw/zinc/50/96/05/558509605.db2.gz RAIFPFJCEPKWQW-UHFFFAOYSA-N 1 2 404.530 2.563 50 0 HFAALO CC(C)N(C(=O)C[NH+]1CCN(CC(=O)Nc2cccc(F)c2)CC1)C1CCCCC1 ZINC000022779285 558509851 /nfs/dbraw/zinc/50/98/51/558509851.db2.gz WMVHJCTUKCLZKL-UHFFFAOYSA-N 1 2 418.557 2.952 50 0 HFAALO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022784195 558510564 /nfs/dbraw/zinc/51/05/64/558510564.db2.gz SEWJGYCORFPIFX-FGTMMUONSA-N 1 2 404.530 2.560 50 0 HFAALO O=c1[nH]c(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2sc3c(c21)CCC3 ZINC000022801539 558513218 /nfs/dbraw/zinc/51/32/18/558513218.db2.gz PUKIFXZFGPTWQP-UHFFFAOYSA-N 1 2 424.526 2.520 50 0 HFAALO CCCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc3nonc32)CC1 ZINC000022923519 558522835 /nfs/dbraw/zinc/52/28/35/558522835.db2.gz DGXVOZRBPPOCDK-UHFFFAOYSA-N 1 2 409.490 2.768 50 0 HFAALO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccc(Cl)s4)CC3)C2=O)cc1 ZINC000022931347 558524494 /nfs/dbraw/zinc/52/44/94/558524494.db2.gz CKPUCMFNIDFCEF-KRWDZBQOSA-N 1 2 419.934 2.860 50 0 HFAALO Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]1 ZINC000023144298 558537969 /nfs/dbraw/zinc/53/79/69/558537969.db2.gz FYHWCAUQOJCXMM-UHFFFAOYSA-N 1 2 416.407 2.952 50 0 HFAALO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000023248526 558545587 /nfs/dbraw/zinc/54/55/87/558545587.db2.gz NBKZPTTXWWQPJG-KRWDZBQOSA-N 1 2 415.513 2.957 50 0 HFAALO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)CC1 ZINC000013611696 558548786 /nfs/dbraw/zinc/54/87/86/558548786.db2.gz UUISCHRTVBITKG-KRWDZBQOSA-N 1 2 410.518 2.857 50 0 HFAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000013619333 558550105 /nfs/dbraw/zinc/55/01/05/558550105.db2.gz BVIDHBPRRBKQKA-HXUWFJFHSA-N 1 2 423.513 2.884 50 0 HFAALO CSCCNC(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000023373728 558553558 /nfs/dbraw/zinc/55/35/58/558553558.db2.gz FWFLQBVQQJRJAX-VMPITWQZSA-N 1 2 400.548 2.598 50 0 HFAALO O=C(CC[NH+]1CCN(c2ccccc2)CC1)n1cc(C(=O)c2ccccc2O)cn1 ZINC000023425053 558557941 /nfs/dbraw/zinc/55/79/41/558557941.db2.gz 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Cn1c(CCNC(=O)c2ccc(F)c(Cl)c2)[nH+]c2cc(NS(C)(=O)=O)ccc21 ZINC000013728259 558585403 /nfs/dbraw/zinc/58/54/03/558585403.db2.gz RHPCAOHXLQJCLE-UHFFFAOYSA-N 1 2 424.885 2.710 50 0 HFAALO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1CCC[NH+]1CCOCC1 ZINC000024147926 558590603 /nfs/dbraw/zinc/59/06/03/558590603.db2.gz VVYDQWMVPINFAR-OAQYLSRUSA-N 1 2 420.465 2.766 50 0 HFAALO O=C(c1ccccc1N1CCCC1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000024762578 558611045 /nfs/dbraw/zinc/61/10/45/558611045.db2.gz IOGWWVFYYGOMIV-UHFFFAOYSA-N 1 2 407.470 2.500 50 0 HFAALO CSc1nc2nc(C)c(CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)c(C)n2n1 ZINC000024969991 558623077 /nfs/dbraw/zinc/62/30/77/558623077.db2.gz NJOMENXUFWVLLD-GOSISDBHSA-N 1 2 421.530 2.645 50 0 HFAALO CC(C)(C)NC(=O)C[NH+]1CCN(Cn2ccn(Cc3ccccc3)c2=S)CC1 ZINC000025058307 558629437 /nfs/dbraw/zinc/62/94/37/558629437.db2.gz QFYKUIGPTCIIEX-UHFFFAOYSA-N 1 2 401.580 2.557 50 0 HFAALO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000026234254 558657513 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ZINC000033013534 558832965 /nfs/dbraw/zinc/83/29/65/558832965.db2.gz VAXXOQPRKCBOCI-UHFFFAOYSA-N 1 2 423.542 2.809 50 0 HFAALO O=C1C[C@@H]([NH+]2CCC(Nc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018217932 558833803 /nfs/dbraw/zinc/83/38/03/558833803.db2.gz OBDLMZXQNHHWSC-GOSISDBHSA-N 1 2 411.433 2.763 50 0 HFAALO COC(=O)Cn1ncc2c1nc[nH+]c2N[C@@H](CC(=O)OC(C)C)c1ccc(C)cc1 ZINC000072313840 558841223 /nfs/dbraw/zinc/84/12/23/558841223.db2.gz XRSXXQKLBJGXDX-KRWDZBQOSA-N 1 2 411.462 2.803 50 0 HFAALO O=C(NCCc1c[nH+]c[nH]1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013687425 558854998 /nfs/dbraw/zinc/85/49/98/558854998.db2.gz MYLVTZNJYAHIHL-UHFFFAOYSA-N 1 2 424.954 2.507 50 0 HFAALO O=C(NCCc1c[nH]c[nH+]1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013687425 558855002 /nfs/dbraw/zinc/85/50/02/558855002.db2.gz MYLVTZNJYAHIHL-UHFFFAOYSA-N 1 2 424.954 2.507 50 0 HFAALO COc1ccc([C@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)cc1 ZINC000054314128 558867400 /nfs/dbraw/zinc/86/74/00/558867400.db2.gz VWIWPYCZKOWENP-RXVVDRJESA-N 1 2 418.501 2.767 50 0 HFAALO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000055227605 558876995 /nfs/dbraw/zinc/87/69/95/558876995.db2.gz IPQCJJCLFDQWDY-NRFANRHFSA-N 1 2 409.486 2.965 50 0 HFAALO COc1ccccc1N1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000057050876 558887264 /nfs/dbraw/zinc/88/72/64/558887264.db2.gz SDUQEEWMFYJDIH-UHFFFAOYSA-N 1 2 404.514 2.883 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(F)cc1 ZINC000010656590 558894557 /nfs/dbraw/zinc/89/45/57/558894557.db2.gz ASMBMVWTPHROFZ-SFHVURJKSA-N 1 2 400.841 2.848 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000019552364 558915805 /nfs/dbraw/zinc/91/58/05/558915805.db2.gz WNEAPMLUXRPWAN-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000058412347 558925084 /nfs/dbraw/zinc/92/50/84/558925084.db2.gz ZCZPEUUCJQFIAR-HNNXBMFYSA-N 1 2 406.280 2.697 50 0 HFAALO C[N@H+]1CCO[C@@H](CNC(=O)c2cccnc2Oc2ccc(Br)cc2)C1 ZINC000058412347 558925085 /nfs/dbraw/zinc/92/50/85/558925085.db2.gz ZCZPEUUCJQFIAR-HNNXBMFYSA-N 1 2 406.280 2.697 50 0 HFAALO CC(C)[C@@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)N1CCCC1=O ZINC000058441533 558927590 /nfs/dbraw/zinc/92/75/90/558927590.db2.gz OKRRVUWRHMSJCF-FQEVSTJZSA-N 1 2 407.942 2.510 50 0 HFAALO COc1cccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1OCCCn1cc[nH+]c1 ZINC000067755861 558992259 /nfs/dbraw/zinc/99/22/59/558992259.db2.gz FPUPMHNLGXZZOT-UHFFFAOYSA-N 1 2 416.445 2.880 50 0 HFAALO CN(Cc1ncc[nH]1)C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000067757780 558992453 /nfs/dbraw/zinc/99/24/53/558992453.db2.gz LRUBSDXPNPEXOS-VMPITWQZSA-N 1 2 420.517 2.501 50 0 HFAALO C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117794 558996117 /nfs/dbraw/zinc/99/61/17/558996117.db2.gz QVXHHYLNGFPVBL-XMSQKQJNSA-N 1 2 417.575 2.663 50 0 HFAALO C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000097117794 558996118 /nfs/dbraw/zinc/99/61/18/558996118.db2.gz QVXHHYLNGFPVBL-XMSQKQJNSA-N 1 2 417.575 2.663 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(N)=O)CC1)S2 ZINC000023156938 559021878 /nfs/dbraw/zinc/02/18/78/559021878.db2.gz NUCMDPKOGVLIRF-AWEZNQCLSA-N 1 2 405.911 2.745 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[NH+]1CCC3(CC1)OCCO3)S2 ZINC000023157500 559022436 /nfs/dbraw/zinc/02/24/36/559022436.db2.gz XUKLNBPRIOOTLQ-HNNXBMFYSA-N 1 2 404.467 2.872 50 0 HFAALO CCCc1nc(C(=O)N2CCC3(CC2)c2[nH+]c[nH]c2CCN3C(=O)CC)cs1 ZINC000095504873 559082990 /nfs/dbraw/zinc/08/29/90/559082990.db2.gz UXBGSAXZJSRGPZ-UHFFFAOYSA-N 1 2 401.536 2.745 50 0 HFAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCN(CCO)CC2)cc1 ZINC000097506223 559119108 /nfs/dbraw/zinc/11/91/08/559119108.db2.gz JGOSRDFBAZOPCV-UHFFFAOYSA-N 1 2 410.493 2.797 50 0 HFAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)c(C)c1C ZINC000011879282 559265133 /nfs/dbraw/zinc/26/51/33/559265133.db2.gz XGTFKXMHGUSGQU-JOCHJYFZSA-N 1 2 423.557 2.704 50 0 HFAALO COc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)CCc2ccccc2)c(C)c1C ZINC000011879282 559265135 /nfs/dbraw/zinc/26/51/35/559265135.db2.gz XGTFKXMHGUSGQU-JOCHJYFZSA-N 1 2 423.557 2.704 50 0 HFAALO CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000248243245 559269396 /nfs/dbraw/zinc/26/93/96/559269396.db2.gz PIYYNHRXLHZNCZ-HMFYCAOWSA-N 1 2 424.545 2.766 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](CC)C(=O)NC)csc3C2)nc1 ZINC000426536234 559274673 /nfs/dbraw/zinc/27/46/73/559274673.db2.gz FMUZYEBCCNQZIV-SFHVURJKSA-N 1 2 400.548 2.518 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](CC)C(=O)NC)csc3C2)nc1 ZINC000426536234 559274674 /nfs/dbraw/zinc/27/46/74/559274674.db2.gz FMUZYEBCCNQZIV-SFHVURJKSA-N 1 2 400.548 2.518 50 0 HFAALO O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000252511844 559278048 /nfs/dbraw/zinc/27/80/48/559278048.db2.gz LDHUIYJYAMRZAX-MSOLQXFVSA-N 1 2 418.519 2.678 50 0 HFAALO O=C(C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000252680143 559279196 /nfs/dbraw/zinc/27/91/96/559279196.db2.gz WNNJNXUVTLDDFL-RTWAWAEBSA-N 1 2 422.566 2.791 50 0 HFAALO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000252680143 559279197 /nfs/dbraw/zinc/27/91/97/559279197.db2.gz WNNJNXUVTLDDFL-RTWAWAEBSA-N 1 2 422.566 2.791 50 0 HFAALO CCCn1nc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c2ccccc2c1=O ZINC000017844348 560729366 /nfs/dbraw/zinc/72/93/66/560729366.db2.gz NGVLFNFBGJWANC-UHFFFAOYSA-N 1 2 408.477 2.904 50 0 HFAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000101079457 560771411 /nfs/dbraw/zinc/77/14/11/560771411.db2.gz WUDUWXJEBMPLBA-YESZJQIVSA-N 1 2 410.543 2.884 50 0 HFAALO CN(C)c1cc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000018155227 560780182 /nfs/dbraw/zinc/78/01/82/560780182.db2.gz BYHQAAOCLQCDHB-UHFFFAOYSA-N 1 2 417.513 2.697 50 0 HFAALO Cc1cc(N2CCC(NC(=O)/C=C\c3c(Cl)nc4sccn34)CC2)nc[nH+]1 ZINC000104267567 560850117 /nfs/dbraw/zinc/85/01/17/560850117.db2.gz HJRCPVNOMUQMFT-IHWYPQMZSA-N 1 2 402.911 2.946 50 0 HFAALO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000046884178 560878605 /nfs/dbraw/zinc/87/86/05/560878605.db2.gz QNEBQHKJOLXPEY-RYUDHWBXSA-N 1 2 405.720 2.707 50 0 HFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000048159039 568432215 /nfs/dbraw/zinc/43/22/15/568432215.db2.gz FLWCADSYXCGSNZ-JOCHJYFZSA-N 1 2 413.562 2.706 50 0 HFAALO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)NCC2CC2)cn3C2CC2)CC1 ZINC000051364390 568436646 /nfs/dbraw/zinc/43/66/46/568436646.db2.gz AIXCDYBLZKKBHK-UHFFFAOYSA-N 1 2 412.509 2.757 50 0 HFAALO CN(C)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)cc[nH+]1 ZINC000048331571 568439847 /nfs/dbraw/zinc/43/98/47/568439847.db2.gz IXGKWPLRKULKJZ-CQSZACIVSA-N 1 2 417.307 2.579 50 0 HFAALO O=C(N1CC[NH+](C[C@H](O)c2cccs2)CC1)C1(c2ccccc2)CCOCC1 ZINC000049031204 568445949 /nfs/dbraw/zinc/44/59/49/568445949.db2.gz OKBJXRZTDJNPGK-IBGZPJMESA-N 1 2 400.544 2.674 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3Cl)cc2)CC1 ZINC000033336626 568514179 /nfs/dbraw/zinc/51/41/79/568514179.db2.gz FZYNKLRMYYSITA-WDZFZDKYSA-N 1 2 419.934 2.928 50 0 HFAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831947 568592489 /nfs/dbraw/zinc/59/24/89/568592489.db2.gz WDGBZVIBDGORBV-OAQYLSRUSA-N 1 2 409.511 2.933 50 0 HFAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020288094 568597517 /nfs/dbraw/zinc/59/75/17/568597517.db2.gz XVUWCRFDRLHWEL-FOIQADDNSA-N 1 2 401.532 2.974 50 0 HFAALO Cn1cccc1[C@H](CNC(=O)C(=O)NC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000021155516 568673492 /nfs/dbraw/zinc/67/34/92/568673492.db2.gz ALSTUHNKEJBWDF-QFIPXVFZSA-N 1 2 408.546 2.690 50 0 HFAALO Cn1cccc1[C@H](CNC(=O)C(=O)NC1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000021155516 568673495 /nfs/dbraw/zinc/67/34/95/568673495.db2.gz ALSTUHNKEJBWDF-QFIPXVFZSA-N 1 2 408.546 2.690 50 0 HFAALO COc1cccc(NC(=O)COc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)c1 ZINC000021325958 568687559 /nfs/dbraw/zinc/68/75/59/568687559.db2.gz HLOJSRWTANPEGD-UHFFFAOYSA-N 1 2 408.458 2.729 50 0 HFAALO COc1ccc(N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)nn1 ZINC000096118473 568698024 /nfs/dbraw/zinc/69/80/24/568698024.db2.gz LOFAPYUSSKSUHY-OWLMGLOSSA-N 1 2 421.545 2.559 50 0 HFAALO O=C(COc1ccc2c(c1)NC(=O)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096232028 568707911 /nfs/dbraw/zinc/70/79/11/568707911.db2.gz SNTAHLFXDYXRGT-QPJJXVBHSA-N 1 2 405.498 2.808 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@H](CC)C(N)=O)csc3C2)nc1 ZINC000426641433 568724139 /nfs/dbraw/zinc/72/41/39/568724139.db2.gz DJWMJEBRYVNHLD-GOSISDBHSA-N 1 2 400.548 2.600 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@H](CC)C(N)=O)csc3C2)nc1 ZINC000426641433 568724141 /nfs/dbraw/zinc/72/41/41/568724141.db2.gz DJWMJEBRYVNHLD-GOSISDBHSA-N 1 2 400.548 2.600 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@@H](CC)C(N)=O)csc3C2)nc1 ZINC000426641435 568724147 /nfs/dbraw/zinc/72/41/47/568724147.db2.gz DJWMJEBRYVNHLD-SFHVURJKSA-N 1 2 400.548 2.600 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@@H](CC)C(N)=O)csc3C2)nc1 ZINC000426641435 568724150 /nfs/dbraw/zinc/72/41/50/568724150.db2.gz DJWMJEBRYVNHLD-SFHVURJKSA-N 1 2 400.548 2.600 50 0 HFAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096317179 568726414 /nfs/dbraw/zinc/72/64/14/568726414.db2.gz ICMWOHWHOHWYAX-UHFFFAOYSA-N 1 2 400.548 2.643 50 0 HFAALO O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000025397501 568766916 /nfs/dbraw/zinc/76/69/16/568766916.db2.gz BMOHYDINVWLQIV-UHFFFAOYSA-N 1 2 410.499 2.867 50 0 HFAALO CCOc1ccc([C@@H](C2Sc3nc(CC)nn3C2=O)N2CC[NH+](C)CC2)cc1 ZINC000022577938 568770143 /nfs/dbraw/zinc/77/01/43/568770143.db2.gz VSPAEWGOOGCFFQ-KRWDZBQOSA-N 1 2 401.536 2.794 50 0 HFAALO COc1ccc([C@@H](NC(=O)Cn2cccc(C(F)(F)F)c2=O)c2[nH+]ccn2C)cc1 ZINC000025502452 568773013 /nfs/dbraw/zinc/77/30/13/568773013.db2.gz KSOINWLHDVHQQM-QGZVFWFLSA-N 1 2 420.391 2.515 50 0 HFAALO CN(CC(=O)NCc1cn2cc(Br)ccc2[nH+]1)c1ccc(Cl)cn1 ZINC000056134018 568787228 /nfs/dbraw/zinc/78/72/28/568787228.db2.gz XUOFVFIOKAGDOD-UHFFFAOYSA-N 1 2 408.687 2.898 50 0 HFAALO Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029122735 568820895 /nfs/dbraw/zinc/82/08/95/568820895.db2.gz GFNMBWJLVHABJF-UHFFFAOYSA-N 1 2 423.542 2.827 50 0 HFAALO O=S(=O)(NCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000056903727 568821122 /nfs/dbraw/zinc/82/11/22/568821122.db2.gz LNLDNHHZSKIVNZ-UHFFFAOYSA-N 1 2 417.550 2.805 50 0 HFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C1(c2ccccc2)CCOCC1 ZINC000056997475 568822739 /nfs/dbraw/zinc/82/27/39/568822739.db2.gz AKDVYQGJSBPFSZ-UHFFFAOYSA-N 1 2 411.521 2.812 50 0 HFAALO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000056997749 568822783 /nfs/dbraw/zinc/82/27/83/568822783.db2.gz DMRMNAMWIZXGAS-UHFFFAOYSA-N 1 2 420.435 2.582 50 0 HFAALO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH+](CC(=O)NC4CC4)CC3)c2c1C ZINC000057318542 568826871 /nfs/dbraw/zinc/82/68/71/568826871.db2.gz JQBAYIKDCSWULS-UHFFFAOYSA-N 1 2 422.558 2.771 50 0 HFAALO COC(=O)C1C(C[NH+]2CCN(c3ccccc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414335 568833673 /nfs/dbraw/zinc/83/36/73/568833673.db2.gz PENMGZSHXDRCMH-JOCHJYFZSA-N 1 2 420.513 2.598 50 0 HFAALO CCOc1ccccc1[C@H]1NC(=O)N=C(C[N@H+](C)Cc2ccccc2)C1C(=O)OC ZINC000057415672 568833952 /nfs/dbraw/zinc/83/39/52/568833952.db2.gz XKDAEWDHIPQNKV-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CCOc1ccccc1[C@H]1NC(=O)N=C(C[N@@H+](C)Cc2ccccc2)C1C(=O)OC ZINC000057415672 568833953 /nfs/dbraw/zinc/83/39/53/568833953.db2.gz XKDAEWDHIPQNKV-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO C[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)CC1 ZINC000057499922 568845286 /nfs/dbraw/zinc/84/52/86/568845286.db2.gz GUULGRBRIWSUGP-UHFFFAOYSA-N 1 2 413.572 2.921 50 0 HFAALO Cc1cccn2cc(COc3ccc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)cc3)[nH+]c12 ZINC000012544274 568849419 /nfs/dbraw/zinc/84/94/19/568849419.db2.gz PMOKGNSIDQPODZ-OAQYLSRUSA-N 1 2 413.499 2.529 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(F)cc1 ZINC000012560297 568858110 /nfs/dbraw/zinc/85/81/10/568858110.db2.gz SQRCQZFISRPMIL-NRFANRHFSA-N 1 2 417.444 2.684 50 0 HFAALO O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000299800407 568876792 /nfs/dbraw/zinc/87/67/92/568876792.db2.gz WEKOGMHVWGFBSF-RBUKOAKNSA-N 1 2 415.497 2.875 50 0 HFAALO C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031326559 568923370 /nfs/dbraw/zinc/92/33/70/568923370.db2.gz JJKDVBKFLHAPPX-AWEZNQCLSA-N 1 2 420.307 2.764 50 0 HFAALO Cn1ncc2c1nc(NCc1cccnc1)[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000031818793 568932617 /nfs/dbraw/zinc/93/26/17/568932617.db2.gz QRYCGGXSPYQKMY-UHFFFAOYSA-N 1 2 400.490 2.697 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3C)cc2)CC1 ZINC000012765675 568948196 /nfs/dbraw/zinc/94/81/96/568948196.db2.gz SKAVHHHIOVFXJX-UHFFFAOYSA-N 1 2 401.532 2.502 50 0 HFAALO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000007974807 568959744 /nfs/dbraw/zinc/95/97/44/568959744.db2.gz RYRRTKXMRTZKMG-MRXNPFEDSA-N 1 2 405.520 2.832 50 0 HFAALO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000007974807 568959747 /nfs/dbraw/zinc/95/97/47/568959747.db2.gz RYRRTKXMRTZKMG-MRXNPFEDSA-N 1 2 405.520 2.832 50 0 HFAALO Cc1ccc(S(=O)(=O)c2ccc(N3CCN(c4cccc[nH+]4)CC3)nn2)cc1C ZINC000085636845 569004982 /nfs/dbraw/zinc/00/49/82/569004982.db2.gz XESKUCFNFKDZGB-UHFFFAOYSA-N 1 2 409.515 2.648 50 0 HFAALO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000012822023 569005897 /nfs/dbraw/zinc/00/58/97/569005897.db2.gz UDTYVQFVRKZTHE-AWEZNQCLSA-N 1 2 423.560 2.527 50 0 HFAALO Cc1cccc(CN2CC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2CCO)n1 ZINC000104478473 569008911 /nfs/dbraw/zinc/00/89/11/569008911.db2.gz KZZMHVHGELUNNM-HSZRJFAPSA-N 1 2 409.509 2.784 50 0 HFAALO Cc1cccc(CN2CC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]2CCO)n1 ZINC000104478473 569008912 /nfs/dbraw/zinc/00/89/12/569008912.db2.gz KZZMHVHGELUNNM-HSZRJFAPSA-N 1 2 409.509 2.784 50 0 HFAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000035430673 569036732 /nfs/dbraw/zinc/03/67/32/569036732.db2.gz QJJNBJSJGWYWTK-UHFFFAOYSA-N 1 2 404.514 2.962 50 0 biogenic HFAALO CC[C@@]1(C)NC(=O)N(NC(=O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)C1=O ZINC000013018382 569051041 /nfs/dbraw/zinc/05/10/41/569051041.db2.gz GETNSXFLUGXKHV-NZQKXSOJSA-N 1 2 420.469 2.864 50 0 HFAALO C[N@H+](CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000240551686 569054632 /nfs/dbraw/zinc/05/46/32/569054632.db2.gz GVKAQKMACBWMJH-RXVVDRJESA-N 1 2 416.543 2.805 50 0 HFAALO C[N@@H+](CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCc2ccccc21 ZINC000240551686 569054633 /nfs/dbraw/zinc/05/46/33/569054633.db2.gz GVKAQKMACBWMJH-RXVVDRJESA-N 1 2 416.543 2.805 50 0 HFAALO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(C)=O)c1 ZINC000026771693 569056588 /nfs/dbraw/zinc/05/65/88/569056588.db2.gz MYAGCLQIUTYAEN-CIAFKFPVSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(C)=O)c1 ZINC000026771693 569056589 /nfs/dbraw/zinc/05/65/89/569056589.db2.gz MYAGCLQIUTYAEN-CIAFKFPVSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)c4nncn4C)csc3C2)nc1 ZINC000426378306 569072574 /nfs/dbraw/zinc/07/25/74/569072574.db2.gz YUQHOUZRQRPILP-CQSZACIVSA-N 1 2 410.547 2.883 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)c4nncn4C)csc3C2)nc1 ZINC000426378306 569072575 /nfs/dbraw/zinc/07/25/75/569072575.db2.gz YUQHOUZRQRPILP-CQSZACIVSA-N 1 2 410.547 2.883 50 0 HFAALO CC(C)Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426395147 569072610 /nfs/dbraw/zinc/07/26/10/569072610.db2.gz HUGGOTNZNFDEFR-AWEZNQCLSA-N 1 2 404.478 2.687 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)c3nncn3C)csc2C1 ZINC000426471583 569073025 /nfs/dbraw/zinc/07/30/25/569073025.db2.gz OPNOAOSKBFMCFY-GFCCVEGCSA-N 1 2 400.508 2.531 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)c3nncn3C)csc2C1 ZINC000426471583 569073026 /nfs/dbraw/zinc/07/30/26/569073026.db2.gz OPNOAOSKBFMCFY-GFCCVEGCSA-N 1 2 400.508 2.531 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)Cn4cncn4)csc3C2)nc1 ZINC000426538740 569073383 /nfs/dbraw/zinc/07/33/83/569073383.db2.gz ZLPUQXBADARMPA-OAHLLOKOSA-N 1 2 410.547 2.674 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)Cn4cncn4)csc3C2)nc1 ZINC000426538740 569073384 /nfs/dbraw/zinc/07/33/84/569073384.db2.gz ZLPUQXBADARMPA-OAHLLOKOSA-N 1 2 410.547 2.674 50 0 HFAALO CNC(=O)[C@H]1CCCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426574721 569073464 /nfs/dbraw/zinc/07/34/64/569073464.db2.gz LIEGEBJARZWIJJ-HNNXBMFYSA-N 1 2 416.547 2.509 50 0 HFAALO CNC(=O)[C@H]1CCCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426574721 569073465 /nfs/dbraw/zinc/07/34/65/569073465.db2.gz LIEGEBJARZWIJJ-HNNXBMFYSA-N 1 2 416.547 2.509 50 0 HFAALO CC[NH+]1CCN(C(=O)CCS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)CC1 ZINC000064867280 569111188 /nfs/dbraw/zinc/11/11/88/569111188.db2.gz KGHKBBQYNQVADA-UHFFFAOYSA-N 1 2 419.547 2.595 50 0 HFAALO CC[N@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cccc(C)c1 ZINC000006783130 569120622 /nfs/dbraw/zinc/12/06/22/569120622.db2.gz PHLYJMIXQSUOSJ-UHFFFAOYSA-N 1 2 403.504 2.521 50 0 HFAALO CC[N@@H+](CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cccc(C)c1 ZINC000006783130 569120624 /nfs/dbraw/zinc/12/06/24/569120624.db2.gz PHLYJMIXQSUOSJ-UHFFFAOYSA-N 1 2 403.504 2.521 50 0 HFAALO NC(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000036390045 569165533 /nfs/dbraw/zinc/16/55/33/569165533.db2.gz KXIWANFTVNDNGZ-UHFFFAOYSA-N 1 2 415.540 2.507 50 0 HFAALO CC[N@H+](CCCNC(=O)c1nc(Cn2c3ccccc3oc2=O)no1)c1ccccc1 ZINC000065111653 569180334 /nfs/dbraw/zinc/18/03/34/569180334.db2.gz SJMRVTYZLUGWOP-UHFFFAOYSA-N 1 2 421.457 2.672 50 0 HFAALO CC[N@@H+](CCCNC(=O)c1nc(Cn2c3ccccc3oc2=O)no1)c1ccccc1 ZINC000065111653 569180336 /nfs/dbraw/zinc/18/03/36/569180336.db2.gz SJMRVTYZLUGWOP-UHFFFAOYSA-N 1 2 421.457 2.672 50 0 HFAALO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000036436169 569182411 /nfs/dbraw/zinc/18/24/11/569182411.db2.gz XEMXWBMSXKMJHP-UHFFFAOYSA-N 1 2 409.349 2.998 50 0 HFAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000006999837 569196837 /nfs/dbraw/zinc/19/68/37/569196837.db2.gz GPRSFUGWLLFEFQ-FQEVSTJZSA-N 1 2 415.563 2.982 50 0 HFAALO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000006999837 569196839 /nfs/dbraw/zinc/19/68/39/569196839.db2.gz GPRSFUGWLLFEFQ-FQEVSTJZSA-N 1 2 415.563 2.982 50 0 HFAALO O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1noc(C[NH+]2CCCCC2)n1 ZINC000065235895 569202474 /nfs/dbraw/zinc/20/24/74/569202474.db2.gz HPMDJEZGKQSHEK-UHFFFAOYSA-N 1 2 408.437 2.719 50 0 HFAALO Cc1cc(C)n(-c2cc[nH+]c(N3CCC(C(=O)NCc4ccc(F)cc4)CC3)n2)n1 ZINC000065240361 569203819 /nfs/dbraw/zinc/20/38/19/569203819.db2.gz PVSQZLMGSQRFOK-UHFFFAOYSA-N 1 2 408.481 2.951 50 0 HFAALO Cc1c(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cnn1C(F)F ZINC000036614696 569206716 /nfs/dbraw/zinc/20/67/16/569206716.db2.gz VOSJCDRUKQKTNP-UHFFFAOYSA-N 1 2 421.473 2.954 50 0 HFAALO COCC[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000065259884 569210925 /nfs/dbraw/zinc/21/09/25/569210925.db2.gz PKPDRVRXFFJSOQ-HSZRJFAPSA-N 1 2 422.485 2.782 50 0 HFAALO COc1c[nH]c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1=O ZINC000524732337 569212600 /nfs/dbraw/zinc/21/26/00/569212600.db2.gz OMIDCDJJHPPUAV-UHFFFAOYSA-N 1 2 403.482 2.931 50 0 HFAALO CCn1nccc1C(=O)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265922 569213097 /nfs/dbraw/zinc/21/30/97/569213097.db2.gz ONPMHUYCIGBUEJ-QHCPKHFHSA-N 1 2 406.534 2.853 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)NCc1ccc(Br)cc1 ZINC000065294983 569218626 /nfs/dbraw/zinc/21/86/26/569218626.db2.gz UTEYBOAYCUEBQS-UHFFFAOYSA-N 1 2 415.295 2.505 50 0 HFAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000036705921 569221885 /nfs/dbraw/zinc/22/18/85/569221885.db2.gz NVEKIAKJJVQODH-UHFFFAOYSA-N 1 2 400.486 2.766 50 0 HFAALO COc1ccc(CC[N@H+](C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC ZINC000007486932 569240979 /nfs/dbraw/zinc/24/09/79/569240979.db2.gz NZYBLQNNBKDSJJ-UHFFFAOYSA-N 1 2 414.458 2.748 50 0 HFAALO COc1ccc(CC[N@@H+](C)CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC ZINC000007486932 569240980 /nfs/dbraw/zinc/24/09/80/569240980.db2.gz NZYBLQNNBKDSJJ-UHFFFAOYSA-N 1 2 414.458 2.748 50 0 HFAALO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921943 569268816 /nfs/dbraw/zinc/26/88/16/569268816.db2.gz YLCBFOSDRMFWQK-OXJNMPFZSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC([N@H+]3CCn4ccnc4C3)CC2)cc1 ZINC000089921943 569268818 /nfs/dbraw/zinc/26/88/18/569268818.db2.gz YLCBFOSDRMFWQK-OXJNMPFZSA-N 1 2 407.518 2.598 50 0 HFAALO C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(N3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000089921943 569268820 /nfs/dbraw/zinc/26/88/20/569268820.db2.gz YLCBFOSDRMFWQK-OXJNMPFZSA-N 1 2 407.518 2.598 50 0 HFAALO CCOC(=O)c1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000017522091 569292529 /nfs/dbraw/zinc/29/25/29/569292529.db2.gz WHUBEIZSKYSAMW-SFHVURJKSA-N 1 2 417.462 2.804 50 0 HFAALO CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C ZINC000007669978 569299971 /nfs/dbraw/zinc/29/99/71/569299971.db2.gz AWRFDSGJCJVQAG-UHFFFAOYSA-N 1 2 416.909 2.935 50 0 HFAALO CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C ZINC000007669978 569299972 /nfs/dbraw/zinc/29/99/72/569299972.db2.gz AWRFDSGJCJVQAG-UHFFFAOYSA-N 1 2 416.909 2.935 50 0 HFAALO Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328594953 569415867 /nfs/dbraw/zinc/41/58/67/569415867.db2.gz GPZUNFDMGAAZIL-IAGOWNOFSA-N 1 2 408.424 2.933 50 0 HFAALO Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328594953 569415868 /nfs/dbraw/zinc/41/58/68/569415868.db2.gz GPZUNFDMGAAZIL-IAGOWNOFSA-N 1 2 408.424 2.933 50 0 HFAALO Cc1csc(=O)n1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000008511461 571067167 /nfs/dbraw/zinc/06/71/67/571067167.db2.gz RKRHEAIELCWZTN-UHFFFAOYSA-N 1 2 400.529 2.872 50 0 HFAALO Cc1csc(=O)n1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000008511461 571067169 /nfs/dbraw/zinc/06/71/69/571067169.db2.gz RKRHEAIELCWZTN-UHFFFAOYSA-N 1 2 400.529 2.872 50 0 HFAALO Cc1sc2nc(CCNC(=O)C[N@@H+]3CCOc4ccccc4C3)[nH]c(=O)c2c1C ZINC000670473393 571105873 /nfs/dbraw/zinc/10/58/73/571105873.db2.gz UNCFHXITCAVMFZ-UHFFFAOYSA-N 1 2 412.515 2.567 50 0 HFAALO Cc1sc2nc(CCNC(=O)C[N@H+]3CCOc4ccccc4C3)[nH]c(=O)c2c1C ZINC000670473393 571105877 /nfs/dbraw/zinc/10/58/77/571105877.db2.gz UNCFHXITCAVMFZ-UHFFFAOYSA-N 1 2 412.515 2.567 50 0 HFAALO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040072435 571153027 /nfs/dbraw/zinc/15/30/27/571153027.db2.gz XRWZADNPEUCKBN-CQSZACIVSA-N 1 2 418.441 2.659 50 0 HFAALO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000040072435 571153029 /nfs/dbraw/zinc/15/30/29/571153029.db2.gz XRWZADNPEUCKBN-CQSZACIVSA-N 1 2 418.441 2.659 50 0 HFAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008935910 571163743 /nfs/dbraw/zinc/16/37/43/571163743.db2.gz DJBCRHKCTFFSEI-HNNXBMFYSA-N 1 2 412.515 2.867 50 0 HFAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000008935910 571163745 /nfs/dbraw/zinc/16/37/45/571163745.db2.gz DJBCRHKCTFFSEI-HNNXBMFYSA-N 1 2 412.515 2.867 50 0 HFAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040122113 571178281 /nfs/dbraw/zinc/17/82/81/571178281.db2.gz AXYAIXILSFATEB-LJQANCHMSA-N 1 2 407.518 2.522 50 0 HFAALO Cc1cccc2c(=O)n(CC(=O)Nc3cccc(OCCn4cc[nH+]c4)c3)cnc12 ZINC000040134885 571187950 /nfs/dbraw/zinc/18/79/50/571187950.db2.gz XXTDCMHYJSSGHB-UHFFFAOYSA-N 1 2 403.442 2.619 50 0 HFAALO COc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C(=O)N(C)C)cc1OC ZINC000040145693 571195942 /nfs/dbraw/zinc/19/59/42/571195942.db2.gz FBNQCIMWLRHGEM-GOSISDBHSA-N 1 2 417.510 2.839 50 0 HFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000040154169 571201431 /nfs/dbraw/zinc/20/14/31/571201431.db2.gz BNCGRDDQHKNJSO-MRXNPFEDSA-N 1 2 404.536 2.655 50 0 HFAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000245237215 571219388 /nfs/dbraw/zinc/21/93/88/571219388.db2.gz GJTFICJORJAICZ-PKOBYXMFSA-N 1 2 412.486 2.797 50 0 HFAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000245237215 571219389 /nfs/dbraw/zinc/21/93/89/571219389.db2.gz GJTFICJORJAICZ-PKOBYXMFSA-N 1 2 412.486 2.797 50 0 HFAALO O=C(CCNC(=O)c1ccc(F)cc1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000069743760 571242754 /nfs/dbraw/zinc/24/27/54/571242754.db2.gz SCKHHJUQOCTGAX-QPJJXVBHSA-N 1 2 413.468 2.942 50 0 HFAALO Cc1[nH]nc(C(N)=O)c1NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000069813982 571245602 /nfs/dbraw/zinc/24/56/02/571245602.db2.gz XVJOACRMQIJELN-UHFFFAOYSA-N 1 2 404.430 2.604 50 0 HFAALO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009376693 571252936 /nfs/dbraw/zinc/25/29/36/571252936.db2.gz DYNPHAACJGSUET-CQSZACIVSA-N 1 2 408.458 2.722 50 0 HFAALO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1ccnn1C1CCCC1 ZINC000009499232 571263351 /nfs/dbraw/zinc/26/33/51/571263351.db2.gz CWIZYPQGCFTCSQ-UHFFFAOYSA-N 1 2 411.506 2.993 50 0 HFAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1C ZINC000009526804 571265947 /nfs/dbraw/zinc/26/59/47/571265947.db2.gz QPKCWOKOFWNPAA-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO Cc1ccccc1N(CC(=O)NCCCn1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000009668786 571278388 /nfs/dbraw/zinc/27/83/88/571278388.db2.gz FIGKICVWBKURFD-UHFFFAOYSA-N 1 2 412.515 2.593 50 0 HFAALO CC(=O)Nc1nc2ccc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc2s1 ZINC000013693048 571304732 /nfs/dbraw/zinc/30/47/32/571304732.db2.gz ZDQZTPYRIMBTLT-UHFFFAOYSA-N 1 2 409.515 2.650 50 0 HFAALO O=C(c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372336 132245035 /nfs/dbraw/zinc/24/50/35/132245035.db2.gz SRFNNBPTJLGDKP-UHFFFAOYSA-N 1 2 402.433 2.917 50 0 HFAALO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004247851 132273822 /nfs/dbraw/zinc/27/38/22/132273822.db2.gz RMWIXUKKMWZLPB-QFIPXVFZSA-N 1 2 417.509 2.875 50 0 HFAALO Clc1cc(Cl)cc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC000004853721 132290742 /nfs/dbraw/zinc/29/07/42/132290742.db2.gz QUTBUTZFXVSDJA-UHFFFAOYSA-N 1 2 411.293 2.595 50 0 HFAALO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000008940409 132334163 /nfs/dbraw/zinc/33/41/63/132334163.db2.gz DJYJFYVKFBRPHT-KRWDZBQOSA-N 1 2 403.486 2.737 50 0 HFAALO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000008940409 132334164 /nfs/dbraw/zinc/33/41/64/132334164.db2.gz DJYJFYVKFBRPHT-KRWDZBQOSA-N 1 2 403.486 2.737 50 0 HFAALO CC(C)(CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCOCC1 ZINC000032843798 519247279 /nfs/dbraw/zinc/24/72/79/519247279.db2.gz VNKOCVRAGNUPFL-UHFFFAOYSA-N 1 2 414.472 2.648 50 0 HFAALO CCN(C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1=CCCCC1 ZINC000032806049 519912131 /nfs/dbraw/zinc/91/21/31/519912131.db2.gz KFYFMBXYRMRUET-UHFFFAOYSA-N 1 2 419.591 2.998 50 0 HFAALO CCN(C(=O)C[N@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1=CCCCC1 ZINC000032806049 519912136 /nfs/dbraw/zinc/91/21/36/519912136.db2.gz KFYFMBXYRMRUET-UHFFFAOYSA-N 1 2 419.591 2.998 50 0 HFAALO CCOc1ccc(CN2CC[N@H+](Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1 ZINC000020598429 520975124 /nfs/dbraw/zinc/97/51/24/520975124.db2.gz RYFBGOFBCRHDAM-SFHVURJKSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccc(CN2CC[N@@H+](Cc3cnc(N(C)C)s3)C[C@@H]2CCO)cc1 ZINC000020598429 520975130 /nfs/dbraw/zinc/97/51/30/520975130.db2.gz RYFBGOFBCRHDAM-SFHVURJKSA-N 1 2 404.580 2.677 50 0 HFAALO COc1cc(C[N@@H+]2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 ZINC000020601748 522382689 /nfs/dbraw/zinc/38/26/89/522382689.db2.gz AGGBGYLNJLAMJT-IBGZPJMESA-N 1 2 402.539 2.619 50 0 HFAALO COc1cc(C[N@H+]2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 ZINC000020601748 522382704 /nfs/dbraw/zinc/38/27/04/522382704.db2.gz AGGBGYLNJLAMJT-IBGZPJMESA-N 1 2 402.539 2.619 50 0 HFAALO CCc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1ccc(=O)[nH]n1 ZINC000032786796 523706648 /nfs/dbraw/zinc/70/66/48/523706648.db2.gz SZGLWGVBZGJVRE-UHFFFAOYSA-N 1 2 413.507 2.625 50 0 HFAALO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000032806182 524062072 /nfs/dbraw/zinc/06/20/72/524062072.db2.gz VFMXWERLHWQZAY-MRXNPFEDSA-N 1 2 408.502 2.680 50 0 HFAALO Cc1ccc(-c2noc(CN3CC[NH+](CC[S@@](=O)c4ccccc4)CC3)n2)cc1 ZINC000032937864 525879346 /nfs/dbraw/zinc/87/93/46/525879346.db2.gz CUCUDPFOTQCVMZ-LJAQVGFWSA-N 1 2 410.543 2.970 50 0 HFAALO Cc1c2ccc(OC[C@H](O)C[NH+]3CCOCC3)cc2oc(=O)c1Cc1ccccc1 ZINC000032608488 525966256 /nfs/dbraw/zinc/96/62/56/525966256.db2.gz IHQFKSNIOOZCCY-LJQANCHMSA-N 1 2 409.482 2.764 50 0 HFAALO O=C(CCCc1nc(-c2cccs2)no1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000032637866 526463990 /nfs/dbraw/zinc/46/39/90/526463990.db2.gz KGCXEATWMGVLGG-UHFFFAOYSA-N 1 2 413.503 2.669 50 0 HFAALO O=C(c1c[nH]nc1-c1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000045727221 526583623 /nfs/dbraw/zinc/58/36/23/526583623.db2.gz YMRPQMYNVNTKKR-UHFFFAOYSA-N 1 2 422.460 2.945 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000022805060 526774996 /nfs/dbraw/zinc/77/49/96/526774996.db2.gz NUCUHAQPUCYLGH-UHFFFAOYSA-N 1 2 419.525 2.749 50 0 HFAALO O=C(c1cn(CC2CCCCC2)nn1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020536285 526863665 /nfs/dbraw/zinc/86/36/65/526863665.db2.gz BZSKUSQPQILSCZ-UHFFFAOYSA-N 1 2 411.506 2.545 50 0 HFAALO O=C(Cn1cc[nH+]c1)Nc1nn(Cc2ccccc2)c2cccc(N3CCOCC3)c21 ZINC000072423156 527394030 /nfs/dbraw/zinc/39/40/30/527394030.db2.gz YJCKMQBORRIRHQ-UHFFFAOYSA-N 1 2 416.485 2.756 50 0 HFAALO CCc1cc(N2CCOCC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)[nH+]1 ZINC000006868756 536146351 /nfs/dbraw/zinc/14/63/51/536146351.db2.gz HZWLOFZXXCGWAM-UHFFFAOYSA-N 1 2 402.520 2.997 50 0 HFAALO COc1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4ccccc4)co3)CC2)cc1 ZINC000034677968 557365510 /nfs/dbraw/zinc/36/55/10/557365510.db2.gz NQBDLUKJTWJVHJ-UHFFFAOYSA-N 1 2 420.513 2.931 50 0 HFAALO COC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH+]1CCC2(CC1)OCCO2 ZINC000006731392 557718023 /nfs/dbraw/zinc/71/80/23/557718023.db2.gz MLNWDLFBROZSAK-UHFFFAOYSA-N 1 2 416.499 2.979 50 0 HFAALO COc1cccc(N2C(=O)C[C@@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)c1 ZINC000019720685 558259112 /nfs/dbraw/zinc/25/91/12/558259112.db2.gz SRYDPTASCFCRIX-MECCDNJOSA-N 1 2 405.498 2.658 50 0 HFAALO COc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)c(C)c1C ZINC000011840607 558286640 /nfs/dbraw/zinc/28/66/40/558286640.db2.gz SUXYUTDFQHBRKF-FQEVSTJZSA-N 1 2 401.551 2.842 50 0 HFAALO COc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)NC2CCCCCC2)c(C)c1C ZINC000011840607 558286643 /nfs/dbraw/zinc/28/66/43/558286643.db2.gz SUXYUTDFQHBRKF-FQEVSTJZSA-N 1 2 401.551 2.842 50 0 HFAALO COc1ccccc1C[NH+]1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000019831983 558291955 /nfs/dbraw/zinc/29/19/55/558291955.db2.gz DXHWXOWVCFRSHC-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000019939594 558313669 /nfs/dbraw/zinc/31/36/69/558313669.db2.gz RRLIHFSGTBZWTN-AWEZNQCLSA-N 1 2 403.552 2.616 50 0 HFAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012201141 558351439 /nfs/dbraw/zinc/35/14/39/558351439.db2.gz FXIVLUMFRMGFMM-OAHLLOKOSA-N 1 2 401.463 2.699 50 0 HFAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012201141 558351440 /nfs/dbraw/zinc/35/14/40/558351440.db2.gz FXIVLUMFRMGFMM-OAHLLOKOSA-N 1 2 401.463 2.699 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)CC1 ZINC000020916447 558422748 /nfs/dbraw/zinc/42/27/48/558422748.db2.gz HTZNREHTAVBMFI-INIZCTEOSA-N 1 2 409.914 2.807 50 0 HFAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)NC[C@@H]1CCCO1 ZINC000004341704 558425274 /nfs/dbraw/zinc/42/52/74/558425274.db2.gz SRLLSAKRUYOCGG-AWEZNQCLSA-N 1 2 403.895 2.856 50 0 HFAALO O=c1[nH]nc(SC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1CCc1ccccc1 ZINC000012796927 558469606 /nfs/dbraw/zinc/46/96/06/558469606.db2.gz SYGBLZBVJVSMOB-HXUWFJFHSA-N 1 2 410.543 2.807 50 0 HFAALO O=c1[nH]nc(SC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1CCc1ccccc1 ZINC000012796927 558469608 /nfs/dbraw/zinc/46/96/08/558469608.db2.gz SYGBLZBVJVSMOB-HXUWFJFHSA-N 1 2 410.543 2.807 50 0 HFAALO COc1ccc(C[NH+]2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1F ZINC000022787780 558511294 /nfs/dbraw/zinc/51/12/94/558511294.db2.gz OOIFDWNFGVSGGJ-UHFFFAOYSA-N 1 2 415.513 2.902 50 0 HFAALO C[C@@H](C(=O)NC1CCCCCC1)[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000022791916 558512113 /nfs/dbraw/zinc/51/21/13/558512113.db2.gz NDRFLEGSRZCSPW-KRWDZBQOSA-N 1 2 404.530 2.609 50 0 HFAALO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000022796837 558512148 /nfs/dbraw/zinc/51/21/48/558512148.db2.gz BFZNHUADZNYQLI-HXUWFJFHSA-N 1 2 400.567 2.651 50 0 HFAALO Cc1cccc(N2CCN(C(=O)C[NH+]3CCN(Cc4ccccc4F)CC3)CC2)c1C ZINC000022818638 558514609 /nfs/dbraw/zinc/51/46/09/558514609.db2.gz CWYPEMQRTRYFBH-UHFFFAOYSA-N 1 2 424.564 2.909 50 0 HFAALO Cc1cccc(N2CCN(C(=O)CN3CC[NH+](Cc4ccccc4F)CC3)CC2)c1C ZINC000022818638 558514612 /nfs/dbraw/zinc/51/46/12/558514612.db2.gz CWYPEMQRTRYFBH-UHFFFAOYSA-N 1 2 424.564 2.909 50 0 HFAALO COc1cccc(CN2CC[N@H+](Cc3ccc(OC)c(OC)c3)C[C@@H]2CCO)c1 ZINC000022852418 558516855 /nfs/dbraw/zinc/51/68/55/558516855.db2.gz UVRSFFLPACHPEJ-FQEVSTJZSA-N 1 2 400.519 2.781 50 0 HFAALO COc1cccc(CN2CC[N@@H+](Cc3ccc(OC)c(OC)c3)C[C@@H]2CCO)c1 ZINC000022852418 558516856 /nfs/dbraw/zinc/51/68/56/558516856.db2.gz UVRSFFLPACHPEJ-FQEVSTJZSA-N 1 2 400.519 2.781 50 0 HFAALO CCN(C(=O)CN1CC[NH+](CC(=O)N2CCCCC2)CC1)c1cccc2ccccc21 ZINC000022912677 558519972 /nfs/dbraw/zinc/51/99/72/558519972.db2.gz ZADNTNZZPMYPHQ-UHFFFAOYSA-N 1 2 422.573 2.823 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)N2CCCCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000022914278 558520902 /nfs/dbraw/zinc/52/09/02/558520902.db2.gz GKZVDWJWSGNUJP-UHFFFAOYSA-N 1 2 413.349 2.562 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)c1 ZINC000022933914 558525537 /nfs/dbraw/zinc/52/55/37/558525537.db2.gz CNSLJGGREUXDPB-SFHVURJKSA-N 1 2 409.530 2.799 50 0 HFAALO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000022957122 558528036 /nfs/dbraw/zinc/52/80/36/558528036.db2.gz DZAJHOMCCNHIIH-UHFFFAOYSA-N 1 2 424.476 2.749 50 0 HFAALO COc1ccc(-c2nn3c(nc(C)cc3NCC[NH+]3CCOCC3)c2C)cc1OC ZINC000023118871 558535066 /nfs/dbraw/zinc/53/50/66/558535066.db2.gz NJBKTVCMFFYPLW-UHFFFAOYSA-N 1 2 411.506 2.774 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1C ZINC000023373395 558553631 /nfs/dbraw/zinc/55/36/31/558553631.db2.gz SPYPDQOXFBCYJE-FQEVSTJZSA-N 1 2 400.519 2.787 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1C ZINC000023373395 558553633 /nfs/dbraw/zinc/55/36/33/558553633.db2.gz SPYPDQOXFBCYJE-FQEVSTJZSA-N 1 2 400.519 2.787 50 0 HFAALO COc1cccc(N2CCN([C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000023731829 558571662 /nfs/dbraw/zinc/57/16/62/558571662.db2.gz RVGYZZXISAEGIX-NRFANRHFSA-N 1 2 422.573 2.550 50 0 HFAALO CCCn1ccnc1SCC(=O)N1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000023732173 558571694 /nfs/dbraw/zinc/57/16/94/558571694.db2.gz CZZGJKSAYZFREI-UHFFFAOYSA-N 1 2 418.563 2.747 50 0 HFAALO O=C(Cc1cccc2ccccc21)NCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023847111 558578024 /nfs/dbraw/zinc/57/80/24/558578024.db2.gz JHJWZULNBDRBPE-UHFFFAOYSA-N 1 2 407.539 2.904 50 0 HFAALO O=C(CCc1nc(-c2cccs2)no1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023873031 558578845 /nfs/dbraw/zinc/57/88/45/558578845.db2.gz CKOYUFMAEVKVGE-UHFFFAOYSA-N 1 2 412.515 2.879 50 0 HFAALO CCn1c(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000013749703 558589487 /nfs/dbraw/zinc/58/94/87/558589487.db2.gz JEURDYFBPFKXNW-UHFFFAOYSA-N 1 2 417.513 2.656 50 0 HFAALO CCCNC(=O)NC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1Cc1ccccc1 ZINC000004494531 558610219 /nfs/dbraw/zinc/61/02/19/558610219.db2.gz WJYAIIVGVXFMGX-MRXNPFEDSA-N 1 2 418.567 2.667 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1 ZINC000014185245 558630326 /nfs/dbraw/zinc/63/03/26/558630326.db2.gz RZFOZYNYFPIAGH-LJQANCHMSA-N 1 2 413.543 2.706 50 0 HFAALO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C)CC2)c1 ZINC000025330230 558638659 /nfs/dbraw/zinc/63/86/59/558638659.db2.gz YJCLGORCYJEPIN-UHFFFAOYSA-N 1 2 407.923 2.553 50 0 HFAALO CCCCCn1nc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2c1=O ZINC000014248954 558649138 /nfs/dbraw/zinc/64/91/38/558649138.db2.gz IAXXKKNUJJVIJH-UHFFFAOYSA-N 1 2 405.502 2.944 50 0 HFAALO COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)c1C ZINC000014249235 558649336 /nfs/dbraw/zinc/64/93/36/558649336.db2.gz KQVSRMWJMSZVBO-UHFFFAOYSA-N 1 2 419.909 2.908 50 0 HFAALO Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]3C2)cc1F ZINC000014543627 558661058 /nfs/dbraw/zinc/66/10/58/558661058.db2.gz MKBNZNUWEOFNHX-VQTJNVASSA-N 1 2 415.896 2.541 50 0 HFAALO Cc1ccc(C[N@H+]2CCN3C(=O)[C@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]3C2)cc1F ZINC000014543627 558661060 /nfs/dbraw/zinc/66/10/60/558661060.db2.gz MKBNZNUWEOFNHX-VQTJNVASSA-N 1 2 415.896 2.541 50 0 HFAALO C[C@H](NC(=O)c1nn(CCO)c2c1C[N@H+](Cc1cccc(O)c1)CC2)c1ccccc1 ZINC000014731460 558665431 /nfs/dbraw/zinc/66/54/31/558665431.db2.gz KHNASVRBQVBDRP-KRWDZBQOSA-N 1 2 420.513 2.630 50 0 HFAALO C[C@H](NC(=O)c1nn(CCO)c2c1C[N@@H+](Cc1cccc(O)c1)CC2)c1ccccc1 ZINC000014731460 558665433 /nfs/dbraw/zinc/66/54/33/558665433.db2.gz KHNASVRBQVBDRP-KRWDZBQOSA-N 1 2 420.513 2.630 50 0 HFAALO CC(C)CN1C[C@H](OCc2cccc(F)c2)C[N@H+](Cc2ccc(CO)o2)CC1=O ZINC000014750014 558670679 /nfs/dbraw/zinc/67/06/79/558670679.db2.gz ZSGKTDMJMYKACB-OAQYLSRUSA-N 1 2 404.482 2.797 50 0 HFAALO CC(C)CN1C[C@H](OCc2cccc(F)c2)C[N@@H+](Cc2ccc(CO)o2)CC1=O ZINC000014750014 558670680 /nfs/dbraw/zinc/67/06/80/558670680.db2.gz ZSGKTDMJMYKACB-OAQYLSRUSA-N 1 2 404.482 2.797 50 0 HFAALO O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000014889321 558678045 /nfs/dbraw/zinc/67/80/45/558678045.db2.gz LUBJZPGNCZYUJD-PMACEKPBSA-N 1 2 410.909 2.501 50 0 HFAALO O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000014889321 558678047 /nfs/dbraw/zinc/67/80/47/558678047.db2.gz LUBJZPGNCZYUJD-PMACEKPBSA-N 1 2 410.909 2.501 50 0 HFAALO CC(C)c1c(C(=O)N2CC[NH+](C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014984652 558692708 /nfs/dbraw/zinc/69/27/08/558692708.db2.gz STOVGBUUYMDBRJ-UHFFFAOYSA-N 1 2 408.481 2.979 50 0 HFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C ZINC000028636203 558702765 /nfs/dbraw/zinc/70/27/65/558702765.db2.gz KPXDNFQESVBWMX-UHFFFAOYSA-N 1 2 412.515 2.524 50 0 HFAALO COc1ccccc1/C=C/C[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(C)cc1 ZINC000015061628 558704817 /nfs/dbraw/zinc/70/48/17/558704817.db2.gz XXWNNHQYDJKODH-XOPAWIAISA-N 1 2 421.541 2.866 50 0 HFAALO COc1ccccc1/C=C/C[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(C)cc1 ZINC000015061628 558704820 /nfs/dbraw/zinc/70/48/20/558704820.db2.gz XXWNNHQYDJKODH-XOPAWIAISA-N 1 2 421.541 2.866 50 0 HFAALO COc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2[nH+]ccn2C)cc1 ZINC000029133716 558710406 /nfs/dbraw/zinc/71/04/06/558710406.db2.gz DOLLTGUSIXQXFQ-FXAWDEMLSA-N 1 2 422.485 2.780 50 0 HFAALO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000029190553 558711578 /nfs/dbraw/zinc/71/15/78/558711578.db2.gz CRSUSPMGARGXPM-IBGZPJMESA-N 1 2 420.600 2.747 50 0 HFAALO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 ZINC000029190553 558711581 /nfs/dbraw/zinc/71/15/81/558711581.db2.gz CRSUSPMGARGXPM-IBGZPJMESA-N 1 2 420.600 2.747 50 0 HFAALO c1cn(C[C@@H](Nc2nc3nonc3nc2N2CCSCC2)c2ccccc2)c[nH+]1 ZINC000015074375 558715110 /nfs/dbraw/zinc/71/51/10/558715110.db2.gz NFPQOLSWOXSCHU-OAHLLOKOSA-N 1 2 408.491 2.616 50 0 HFAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015300674 558731175 /nfs/dbraw/zinc/73/11/75/558731175.db2.gz NCKIICZDMBGKNZ-TZIWHRDSSA-N 1 2 420.575 2.790 50 0 HFAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000015300674 558731177 /nfs/dbraw/zinc/73/11/77/558731177.db2.gz NCKIICZDMBGKNZ-TZIWHRDSSA-N 1 2 420.575 2.790 50 0 HFAALO O=C(COc1coc(C[N@@H+]2CCc3ccccc3C2)cc1=O)NCc1ccccc1 ZINC000004583884 558774364 /nfs/dbraw/zinc/77/43/64/558774364.db2.gz DSYGHCDFQLLKFN-UHFFFAOYSA-N 1 2 404.466 2.893 50 0 HFAALO O=C(COc1coc(C[N@H+]2CCc3ccccc3C2)cc1=O)NCc1ccccc1 ZINC000004583884 558774365 /nfs/dbraw/zinc/77/43/65/558774365.db2.gz DSYGHCDFQLLKFN-UHFFFAOYSA-N 1 2 404.466 2.893 50 0 HFAALO COc1ccc2c(c1)CCC[C@H]2CC(=O)OCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000072310664 558777515 /nfs/dbraw/zinc/77/75/15/558777515.db2.gz CWJJSGKTGJPCBG-FQEVSTJZSA-N 1 2 414.546 2.993 50 0 HFAALO CC(C)(C)OC(=O)N1CC[C@@H](C(=O)OCC[NH+]2CCN(Cc3ccsc3)CC2)C1 ZINC000072310701 558777898 /nfs/dbraw/zinc/77/78/98/558777898.db2.gz GTLKILDOXNCPPN-GOSISDBHSA-N 1 2 423.579 2.666 50 0 HFAALO CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000035354319 558790234 /nfs/dbraw/zinc/79/02/34/558790234.db2.gz PDYCCCVVRQIIHF-HXUWFJFHSA-N 1 2 401.532 2.755 50 0 HFAALO CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000035567755 558793633 /nfs/dbraw/zinc/79/36/33/558793633.db2.gz CKLHXEJEWTVOIA-UHFFFAOYSA-N 1 2 401.532 2.746 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)CC1 ZINC000055042289 558870673 /nfs/dbraw/zinc/87/06/73/558870673.db2.gz HEKRIJMGGPLBEH-QGZVFWFLSA-N 1 2 402.470 2.686 50 0 HFAALO COc1cc(C(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc(OC)c1OC ZINC000033106670 558874481 /nfs/dbraw/zinc/87/44/81/558874481.db2.gz VFXMJSIVPHFEMR-UHFFFAOYSA-N 1 2 410.474 2.562 50 0 HFAALO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2nccs2)C1)c1cccc2cccnc21 ZINC000055183091 558875353 /nfs/dbraw/zinc/87/53/53/558875353.db2.gz WVPCCAKIWKWNMR-HNNXBMFYSA-N 1 2 402.545 2.882 50 0 HFAALO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2nccs2)C1)c1cccc2cccnc21 ZINC000055183091 558875356 /nfs/dbraw/zinc/87/53/56/558875356.db2.gz WVPCCAKIWKWNMR-HNNXBMFYSA-N 1 2 402.545 2.882 50 0 HFAALO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(NN)[nH+]1 ZINC000019418270 558885173 /nfs/dbraw/zinc/88/51/73/558885173.db2.gz MPEANPFBOIREIZ-UHFFFAOYSA-N 1 2 402.549 2.962 50 0 HFAALO CNC(=O)C[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748748 558908751 /nfs/dbraw/zinc/90/87/51/558908751.db2.gz WXWAGIUVTVTYCI-UHFFFAOYSA-N 1 2 405.930 2.572 50 0 HFAALO CNC(=O)C[N@@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748748 558908754 /nfs/dbraw/zinc/90/87/54/558908754.db2.gz WXWAGIUVTVTYCI-UHFFFAOYSA-N 1 2 405.930 2.572 50 0 HFAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1Cl ZINC000072115718 558926791 /nfs/dbraw/zinc/92/67/91/558926791.db2.gz MQRRZFIYDKTXFW-UHFFFAOYSA-N 1 2 416.913 2.629 50 0 HFAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1Cl ZINC000072115718 558926794 /nfs/dbraw/zinc/92/67/94/558926794.db2.gz MQRRZFIYDKTXFW-UHFFFAOYSA-N 1 2 416.913 2.629 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1 ZINC000072151928 558929782 /nfs/dbraw/zinc/92/97/82/558929782.db2.gz NJWFRQQWOTVIRR-QFIPXVFZSA-N 1 2 403.482 2.954 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1 ZINC000072151928 558929783 /nfs/dbraw/zinc/92/97/83/558929783.db2.gz NJWFRQQWOTVIRR-QFIPXVFZSA-N 1 2 403.482 2.954 50 0 HFAALO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000060093109 558940814 /nfs/dbraw/zinc/94/08/14/558940814.db2.gz LLZMKYJKSJZTLP-UHFFFAOYSA-N 1 2 406.939 2.748 50 0 HFAALO CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000060093109 558940816 /nfs/dbraw/zinc/94/08/16/558940816.db2.gz LLZMKYJKSJZTLP-UHFFFAOYSA-N 1 2 406.939 2.748 50 0 HFAALO O=C(NCc1ccccn1)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072403243 558961831 /nfs/dbraw/zinc/96/18/31/558961831.db2.gz KFKJTVGTFAXQGD-UHFFFAOYSA-N 1 2 416.485 2.761 50 0 HFAALO C[C@@H]1C[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000097164326 558998298 /nfs/dbraw/zinc/99/82/98/558998298.db2.gz MZMKVTGMDFQKBJ-BGYRXZFFSA-N 1 2 420.642 2.963 50 0 HFAALO C[C@@H]1C[N@H+](CC(=O)N(C)C2CCCCC2)C[C@H](C)N1CC(=O)N(C)C1CCCCC1 ZINC000097164326 558998300 /nfs/dbraw/zinc/99/83/00/558998300.db2.gz MZMKVTGMDFQKBJ-BGYRXZFFSA-N 1 2 420.642 2.963 50 0 HFAALO C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H](C)[N@H+]1CC(=O)N(C)C1CCCCC1 ZINC000097164326 558998302 /nfs/dbraw/zinc/99/83/02/558998302.db2.gz MZMKVTGMDFQKBJ-BGYRXZFFSA-N 1 2 420.642 2.963 50 0 HFAALO C[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H](C)[N@@H+]1CC(=O)N(C)C1CCCCC1 ZINC000097164326 558998304 /nfs/dbraw/zinc/99/83/04/558998304.db2.gz MZMKVTGMDFQKBJ-BGYRXZFFSA-N 1 2 420.642 2.963 50 0 HFAALO CCOc1ccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)cc1 ZINC000082230450 559042722 /nfs/dbraw/zinc/04/27/22/559042722.db2.gz FABODBFCIJQZRE-UHFFFAOYSA-N 1 2 406.490 2.640 50 0 HFAALO COc1ccc(C(=O)NCCn2ncc3c2nc[nH+]c3N2CCCCCC2)cc1OC ZINC000011665967 559147594 /nfs/dbraw/zinc/14/75/94/559147594.db2.gz GVOOPGMLJICTMY-UHFFFAOYSA-N 1 2 424.505 2.654 50 0 HFAALO COc1cccc([C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccccc2)c2[nH+]ccn2C)c1 ZINC000024017615 559187441 /nfs/dbraw/zinc/18/74/41/559187441.db2.gz LEKHPZIBOJDUHD-IFMALSPDSA-N 1 2 406.486 2.902 50 0 HFAALO CC1CCN(C(=O)CN2CCN(c3[nH+]ccn3-c3cccc(Cl)c3)CC2)CC1 ZINC000011695780 559189003 /nfs/dbraw/zinc/18/90/03/559189003.db2.gz DFLQSDAFJKLMKH-UHFFFAOYSA-N 1 2 401.942 2.906 50 0 HFAALO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000011719609 559255059 /nfs/dbraw/zinc/25/50/59/559255059.db2.gz RVMBQFCTMVYJPT-CYBMUJFWSA-N 1 2 411.524 2.657 50 0 HFAALO Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CC[NH+]4CCOCC4)c(=N)c32)cc1 ZINC000005346884 560570601 /nfs/dbraw/zinc/57/06/01/560570601.db2.gz VTCMSJISQSNTPU-NRFANRHFSA-N 1 2 418.497 2.995 50 0 HFAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCc3cc4c(cc3C2)OCCCO4)cc1 ZINC000005348744 560571073 /nfs/dbraw/zinc/57/10/73/560571073.db2.gz IZYGFXMIKIJHKD-UHFFFAOYSA-N 1 2 409.486 2.547 50 0 HFAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCc3cc4c(cc3C2)OCCCO4)cc1 ZINC000005348744 560571074 /nfs/dbraw/zinc/57/10/74/560571074.db2.gz IZYGFXMIKIJHKD-UHFFFAOYSA-N 1 2 409.486 2.547 50 0 HFAALO COc1ccc(C(=O)N2CC[NH+](CCNc3cc(=O)oc4ccccc34)CC2)cc1 ZINC000101667355 560798220 /nfs/dbraw/zinc/79/82/20/560798220.db2.gz QPCLACZJEXZIAT-UHFFFAOYSA-N 1 2 407.470 2.672 50 0 HFAALO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000107358047 560896247 /nfs/dbraw/zinc/89/62/47/560896247.db2.gz VXDYWCDRIVDUJR-WCQYABFASA-N 1 2 402.442 2.692 50 0 HFAALO C[C@H]1C[N@H+]([C@H](CNC(=O)c2cn(C)nc2C(F)(F)F)c2cccs2)CCO1 ZINC000107358047 560896249 /nfs/dbraw/zinc/89/62/49/560896249.db2.gz VXDYWCDRIVDUJR-WCQYABFASA-N 1 2 402.442 2.692 50 0 HFAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C[N@@H+]1Cc1cccc(C)c1 ZINC000014973035 568500085 /nfs/dbraw/zinc/50/00/85/568500085.db2.gz CTLWNLDTKHEMPT-UNMCSNQZSA-N 1 2 418.497 2.727 50 0 HFAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)C[N@H+]1Cc1cccc(C)c1 ZINC000014973035 568500086 /nfs/dbraw/zinc/50/00/86/568500086.db2.gz CTLWNLDTKHEMPT-UNMCSNQZSA-N 1 2 418.497 2.727 50 0 HFAALO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033237027 568511865 /nfs/dbraw/zinc/51/18/65/568511865.db2.gz OQDASRBHGZSDCL-FQEVSTJZSA-N 1 2 414.937 2.834 50 0 HFAALO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)cc1OC ZINC000020287567 568597275 /nfs/dbraw/zinc/59/72/75/568597275.db2.gz NKIBGHXIPWMGGL-YCRPNKLZSA-N 1 2 404.532 2.886 50 0 HFAALO O=C(CN1CC[NH+](CC(=O)N2CCCC2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000095357361 568601626 /nfs/dbraw/zinc/60/16/26/568601626.db2.gz FLPSGRCUHDOTIT-UHFFFAOYSA-N 1 2 422.529 2.657 50 0 HFAALO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000095453201 568615667 /nfs/dbraw/zinc/61/56/67/568615667.db2.gz BGZPZBQUNXKYDE-HXUWFJFHSA-N 1 2 418.559 2.526 50 0 HFAALO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1 ZINC000095469637 568625956 /nfs/dbraw/zinc/62/59/56/568625956.db2.gz VTCFXDJJQVKKDX-CQSZACIVSA-N 1 2 402.495 2.761 50 0 HFAALO C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)sc2C1 ZINC000095469637 568625960 /nfs/dbraw/zinc/62/59/60/568625960.db2.gz VTCFXDJJQVKKDX-CQSZACIVSA-N 1 2 402.495 2.761 50 0 HFAALO COc1cn(CC(=O)NCc2ccccc2)c(C[N@@H+]2CCc3ccccc3C2)cc1=O ZINC000095475386 568629790 /nfs/dbraw/zinc/62/97/90/568629790.db2.gz WYNMGLPFDQJVBC-UHFFFAOYSA-N 1 2 417.509 2.732 50 0 HFAALO COc1cn(CC(=O)NCc2ccccc2)c(C[N@H+]2CCc3ccccc3C2)cc1=O ZINC000095475386 568629792 /nfs/dbraw/zinc/62/97/92/568629792.db2.gz WYNMGLPFDQJVBC-UHFFFAOYSA-N 1 2 417.509 2.732 50 0 HFAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)NCCc3ccccc3)cc2[nH]c1=S ZINC000020645370 568639054 /nfs/dbraw/zinc/63/90/54/568639054.db2.gz HMNKFVXFJRTQFC-UHFFFAOYSA-N 1 2 424.570 3.000 50 0 HFAALO CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000096183411 568702929 /nfs/dbraw/zinc/70/29/29/568702929.db2.gz XNICJGCFKIMQPL-UHFFFAOYSA-N 1 2 413.543 2.813 50 0 HFAALO CCCn1c(C(=O)NCC[NH+]2CCOCC2)cc2cc(NC(=O)c3ccco3)ccc21 ZINC000096277655 568716121 /nfs/dbraw/zinc/71/61/21/568716121.db2.gz LSOMPDXQIWCECH-UHFFFAOYSA-N 1 2 424.501 2.959 50 0 HFAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C ZINC000025217578 568759516 /nfs/dbraw/zinc/75/95/16/568759516.db2.gz SMKCEPZJSVLPJI-UHFFFAOYSA-N 1 2 410.474 2.956 50 0 HFAALO O=C(c1cc2c(s1)CCCC2)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097077269 568767420 /nfs/dbraw/zinc/76/74/20/568767420.db2.gz STJZQTWAZQSBDH-GOSISDBHSA-N 1 2 401.576 2.786 50 0 HFAALO O=C(c1cc2c(s1)CCCC2)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097077269 568767422 /nfs/dbraw/zinc/76/74/22/568767422.db2.gz STJZQTWAZQSBDH-GOSISDBHSA-N 1 2 401.576 2.786 50 0 HFAALO COc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1Br ZINC000028693866 568802145 /nfs/dbraw/zinc/80/21/45/568802145.db2.gz IIIADYSGQKWITE-UHFFFAOYSA-N 1 2 420.307 2.819 50 0 HFAALO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057063905 568824026 /nfs/dbraw/zinc/82/40/26/568824026.db2.gz PQZJGZIXIVEFLD-UHFFFAOYSA-N 1 2 422.485 2.724 50 0 HFAALO O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000057416635 568834359 /nfs/dbraw/zinc/83/43/59/568834359.db2.gz SHOJMZDUYDATFN-AWEZNQCLSA-N 1 2 402.857 2.576 50 0 HFAALO CCc1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012531010 568844166 /nfs/dbraw/zinc/84/41/66/568844166.db2.gz ZEYCQOFETOWRBS-UHFFFAOYSA-N 1 2 406.486 2.672 50 0 HFAALO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012556466 568855751 /nfs/dbraw/zinc/85/57/51/568855751.db2.gz UQROAHKZKDIUCU-LJQANCHMSA-N 1 2 423.908 2.966 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012603627 568870710 /nfs/dbraw/zinc/87/07/10/568870710.db2.gz HLJGCGJEEUYOJI-SFHVURJKSA-N 1 2 400.841 2.848 50 0 HFAALO Cc1nc(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cs1 ZINC000299792066 568876107 /nfs/dbraw/zinc/87/61/07/568876107.db2.gz FICDOVBETDHCBZ-FQEVSTJZSA-N 1 2 419.522 2.861 50 0 HFAALO CN(C)c1ccc2cc(NC(=O)CCN3C(=O)NC4(CCCCC4)C3=O)ccc2[nH+]1 ZINC000058015293 568876199 /nfs/dbraw/zinc/87/61/99/568876199.db2.gz BRMJRABQPWFWLV-UHFFFAOYSA-N 1 2 409.490 2.884 50 0 HFAALO O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCc1cn2ccccc2[nH+]1 ZINC000012668966 568907233 /nfs/dbraw/zinc/90/72/33/568907233.db2.gz NKNYSOYOJCZGLA-UHFFFAOYSA-N 1 2 421.526 2.734 50 0 HFAALO O=C1C[N@H+](Cc2ccc(CO)o2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 ZINC000014732334 568915625 /nfs/dbraw/zinc/91/56/25/568915625.db2.gz DJFGKAAAUIXDBN-HSZRJFAPSA-N 1 2 421.497 2.597 50 0 HFAALO O=C1C[N@@H+](Cc2ccc(CO)o2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1 ZINC000014732334 568915626 /nfs/dbraw/zinc/91/56/26/568915626.db2.gz DJFGKAAAUIXDBN-HSZRJFAPSA-N 1 2 421.497 2.597 50 0 HFAALO Cc1sc2nc(-c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)nc(N)c2c1C ZINC000012728450 568921103 /nfs/dbraw/zinc/92/11/03/568921103.db2.gz NUDKGAVJRSLADF-UHFFFAOYSA-N 1 2 411.531 2.619 50 0 HFAALO C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031326556 568923393 /nfs/dbraw/zinc/92/33/93/568923393.db2.gz JJKDVBKFLHAPPX-CQSZACIVSA-N 1 2 420.307 2.764 50 0 HFAALO Cn1ncc2c1nc(NCc1ccccn1)[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000031819118 568933050 /nfs/dbraw/zinc/93/30/50/568933050.db2.gz ILLLCVCDGMFDAQ-UHFFFAOYSA-N 1 2 400.490 2.697 50 0 HFAALO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(N)=O)C1 ZINC000004087205 568940739 /nfs/dbraw/zinc/94/07/39/568940739.db2.gz JJVAEJIWBBQGJW-UHFFFAOYSA-N 1 2 400.323 2.911 50 0 HFAALO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(Br)s3)c2C(N)=O)C1 ZINC000004087205 568940741 /nfs/dbraw/zinc/94/07/41/568940741.db2.gz JJVAEJIWBBQGJW-UHFFFAOYSA-N 1 2 400.323 2.911 50 0 HFAALO CCN1CC[NH+]([C@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)C2)CC1 ZINC000084789300 568959435 /nfs/dbraw/zinc/95/94/35/568959435.db2.gz ADNIKIQTSRAXRR-IBGZPJMESA-N 1 2 415.563 2.966 50 0 HFAALO C[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1cnn(-c2ccccc2)c1 ZINC000008157007 568978383 /nfs/dbraw/zinc/97/83/83/568978383.db2.gz WUKGZQJCGZQTSM-UHFFFAOYSA-N 1 2 409.515 2.592 50 0 HFAALO C[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1cnn(-c2ccccc2)c1 ZINC000008157007 568978385 /nfs/dbraw/zinc/97/83/85/568978385.db2.gz WUKGZQJCGZQTSM-UHFFFAOYSA-N 1 2 409.515 2.592 50 0 HFAALO NC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310449 568988749 /nfs/dbraw/zinc/98/87/49/568988749.db2.gz IPZALEFJGMKMAV-HNNXBMFYSA-N 1 2 401.488 2.784 50 0 HFAALO NC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310449 568988750 /nfs/dbraw/zinc/98/87/50/568988750.db2.gz IPZALEFJGMKMAV-HNNXBMFYSA-N 1 2 401.488 2.784 50 0 HFAALO COc1cc(NC(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)c(OC)cc1Cl ZINC000012868541 569012348 /nfs/dbraw/zinc/01/23/48/569012348.db2.gz ZFSBJXVDSPVWEU-UHFFFAOYSA-N 1 2 409.914 2.630 50 0 HFAALO CC(C)(CNC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1)[NH+]1CCOCC1 ZINC000049548603 569017538 /nfs/dbraw/zinc/01/75/38/569017538.db2.gz VYFYEFSWLCVAPT-UHFFFAOYSA-N 1 2 413.305 2.808 50 0 HFAALO COc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccc(C)c(C)c1)C(=O)N2 ZINC000035430683 569036774 /nfs/dbraw/zinc/03/67/74/569036774.db2.gz FCVUIPVQGYVUDX-UHFFFAOYSA-N 1 2 420.513 2.662 50 0 biogenic HFAALO C[C@H]1CN(c2[nH+]cnc3c2cnn3CCNC(=O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000035590438 569045410 /nfs/dbraw/zinc/04/54/10/569045410.db2.gz FBXJCSVTQUWISF-KBPBESRZSA-N 1 2 414.897 2.523 50 0 HFAALO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCOCC2)n3C)cc1 ZINC000035895179 569065167 /nfs/dbraw/zinc/06/51/67/569065167.db2.gz XZLFZNHBLXPCBC-UHFFFAOYSA-N 1 2 414.531 2.557 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC(C)(C)C(=O)N(C)C)csc2C1 ZINC000426389281 569072625 /nfs/dbraw/zinc/07/26/25/569072625.db2.gz QUOMHWLWSISISH-UHFFFAOYSA-N 1 2 404.536 2.508 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC(C)(C)C(=O)N(C)C)csc2C1 ZINC000426389281 569072626 /nfs/dbraw/zinc/07/26/26/569072626.db2.gz QUOMHWLWSISISH-UHFFFAOYSA-N 1 2 404.536 2.508 50 0 HFAALO CC(C)Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426395148 569072679 /nfs/dbraw/zinc/07/26/79/569072679.db2.gz HUGGOTNZNFDEFR-CQSZACIVSA-N 1 2 404.478 2.687 50 0 HFAALO CCNC(=O)[C@@H](C)NC(=O)c1csc2c1CC[N@H+](Cc1ccc(CC)cn1)C2 ZINC000426683917 569073817 /nfs/dbraw/zinc/07/38/17/569073817.db2.gz PVKURNKULNJRNE-CQSZACIVSA-N 1 2 400.548 2.518 50 0 HFAALO CCNC(=O)[C@@H](C)NC(=O)c1csc2c1CC[N@@H+](Cc1ccc(CC)cn1)C2 ZINC000426683917 569073818 /nfs/dbraw/zinc/07/38/18/569073818.db2.gz PVKURNKULNJRNE-CQSZACIVSA-N 1 2 400.548 2.518 50 0 HFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1 ZINC000036022506 569077468 /nfs/dbraw/zinc/07/74/68/569077468.db2.gz PYPYJZDIKOLOAV-UHFFFAOYSA-N 1 2 413.971 2.729 50 0 HFAALO CCCN1C(=O)[C@H](C)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027196 569079903 /nfs/dbraw/zinc/07/99/03/569079903.db2.gz BFAUMYHBKAUNEL-LBPRGKRZSA-N 1 2 420.362 2.705 50 0 HFAALO O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)NCCCn1cc[nH+]c1 ZINC000006660311 569084427 /nfs/dbraw/zinc/08/44/27/569084427.db2.gz OHPFALOQGLDPFU-GDNBJRDFSA-N 1 2 404.879 2.779 50 0 HFAALO C[NH+]1CCN(C(=O)c2csc(N3CCN(c4ccc(Cl)cc4)CC3)n2)CC1 ZINC000065211625 569196946 /nfs/dbraw/zinc/19/69/46/569196946.db2.gz LNNVAHCFMOXJMK-UHFFFAOYSA-N 1 2 405.955 2.511 50 0 HFAALO COc1cccc(CNC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)c1 ZINC000065239885 569203616 /nfs/dbraw/zinc/20/36/16/569203616.db2.gz ACTLJIWVAWTZHL-UHFFFAOYSA-N 1 2 406.490 2.837 50 0 HFAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@H](C(=O)OCC)C3)C2)nc[nH+]1 ZINC000065245135 569205005 /nfs/dbraw/zinc/20/50/05/569205005.db2.gz XRKHARUZMJQQAQ-ROUUACIJSA-N 1 2 417.554 2.707 50 0 HFAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCC[C@H](C(=O)OCC)C3)C2)[nH+]cn1 ZINC000065245135 569205006 /nfs/dbraw/zinc/20/50/06/569205006.db2.gz XRKHARUZMJQQAQ-ROUUACIJSA-N 1 2 417.554 2.707 50 0 HFAALO O=C(Cn1ncc2c1nc[nH+]c2N1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000065294979 569218622 /nfs/dbraw/zinc/21/86/22/569218622.db2.gz UJLLKQUHKMZUIB-UHFFFAOYSA-N 1 2 406.368 2.964 50 0 HFAALO CCN(CC)c1[nH+]cnc2c1cnn2CC(=O)NCc1ccc(Br)cc1 ZINC000065295963 569218909 /nfs/dbraw/zinc/21/89/09/569218909.db2.gz XJJDETKTZSVXAO-UHFFFAOYSA-N 1 2 417.311 2.751 50 0 HFAALO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065329628 569224795 /nfs/dbraw/zinc/22/47/95/569224795.db2.gz BDBYJSPUQPILSL-UHFFFAOYSA-N 1 2 408.502 2.912 50 0 HFAALO COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000007286603 569232008 /nfs/dbraw/zinc/23/20/08/569232008.db2.gz WNGMHWNAWPDXGD-AWEZNQCLSA-N 1 2 414.487 2.879 50 0 HFAALO C[C@@H]1CN(C(=O)CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)C[C@H](C)O1 ZINC000007318320 569233369 /nfs/dbraw/zinc/23/33/69/569233369.db2.gz PHBGMMWBRDXGIO-CALCHBBNSA-N 1 2 415.563 2.591 50 0 HFAALO CCN1C[C@H](C[N@H+](C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)Oc2ccccc21 ZINC000037195862 569240032 /nfs/dbraw/zinc/24/00/32/569240032.db2.gz AYHQAPLXCHAOCK-HOIFWPIMSA-N 1 2 400.523 2.664 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)Oc2ccccc21 ZINC000037195862 569240033 /nfs/dbraw/zinc/24/00/33/569240033.db2.gz AYHQAPLXCHAOCK-HOIFWPIMSA-N 1 2 400.523 2.664 50 0 HFAALO Cc1cc(S(=O)(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)sc1C ZINC000170609133 569244887 /nfs/dbraw/zinc/24/48/87/569244887.db2.gz GBYANDXHICFMAR-UHFFFAOYSA-N 1 2 407.561 2.863 50 0 HFAALO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCC[N@H+]3CCOC[C@H]3C)c12 ZINC000170616660 569247658 /nfs/dbraw/zinc/24/76/58/569247658.db2.gz PEJOPRXBYCTFFU-CYBMUJFWSA-N 1 2 400.504 2.883 50 0 HFAALO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)OCC[N@@H+]3CCOC[C@H]3C)c12 ZINC000170616660 569247659 /nfs/dbraw/zinc/24/76/59/569247659.db2.gz PEJOPRXBYCTFFU-CYBMUJFWSA-N 1 2 400.504 2.883 50 0 HFAALO O=C(CCNC(=O)c1ccccc1Cl)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000014043726 569258374 /nfs/dbraw/zinc/25/83/74/569258374.db2.gz JXUFNPSRBRTTSF-UHFFFAOYSA-N 1 2 403.885 2.943 50 0 HFAALO COc1c2c(cc3c1[C@@H](C1C(=O)OC4(CCCCC4)OC1=O)[N@H+](C)CC3)OCO2 ZINC000002115871 569284603 /nfs/dbraw/zinc/28/46/03/569284603.db2.gz ZUWKBIMHOKVGNF-INIZCTEOSA-N 1 2 403.431 2.956 50 0 biogenic HFAALO COc1c2c(cc3c1[C@@H](C1C(=O)OC4(CCCCC4)OC1=O)[N@@H+](C)CC3)OCO2 ZINC000002115871 569284604 /nfs/dbraw/zinc/28/46/04/569284604.db2.gz ZUWKBIMHOKVGNF-INIZCTEOSA-N 1 2 403.431 2.956 50 0 biogenic HFAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007798853 569311213 /nfs/dbraw/zinc/31/12/13/569311213.db2.gz XENSSHIICJMPDZ-UHFFFAOYSA-N 1 2 418.906 2.702 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253401407 569365636 /nfs/dbraw/zinc/36/56/36/569365636.db2.gz MVCYUWUKNRMIPZ-MRXNPFEDSA-N 1 2 423.922 2.786 50 0 HFAALO COc1ccccc1[C@H](CNC(=O)c1ccc(F)c(S(C)(=O)=O)c1)[NH+]1CCCC1 ZINC000253415349 569367168 /nfs/dbraw/zinc/36/71/68/569367168.db2.gz KXFXJQVXBXWNNL-SFHVURJKSA-N 1 2 420.506 2.805 50 0 HFAALO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(F)c1 ZINC000027590827 569375618 /nfs/dbraw/zinc/37/56/18/569375618.db2.gz JYBJUYWXRKKWFA-MRXNPFEDSA-N 1 2 400.422 2.855 50 0 HFAALO CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000079023577 569424637 /nfs/dbraw/zinc/42/46/37/569424637.db2.gz YBJDJIPTQYUMBT-HUUCEWRRSA-N 1 2 404.492 2.532 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000067286675 571065157 /nfs/dbraw/zinc/06/51/57/571065157.db2.gz PPVBIAZZWLFCOM-HXUWFJFHSA-N 1 2 417.506 2.751 50 0 HFAALO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000040154186 571201501 /nfs/dbraw/zinc/20/15/01/571201501.db2.gz MZCPHVXEZGAVLO-OAHLLOKOSA-N 1 2 416.501 2.789 50 0 HFAALO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCc3cccs3)CC2)c(OC)c1 ZINC000009070813 571218494 /nfs/dbraw/zinc/21/84/94/571218494.db2.gz OIJGZISOJQMGDE-UHFFFAOYSA-N 1 2 417.531 2.732 50 0 HFAALO O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000009348052 571250363 /nfs/dbraw/zinc/25/03/63/571250363.db2.gz RMAQUNDUMIIBMU-SFHVURJKSA-N 1 2 408.845 2.601 50 0 biogenic HFAALO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000070974781 571284031 /nfs/dbraw/zinc/28/40/31/571284031.db2.gz UNSWHCKGBZGMTH-UHFFFAOYSA-N 1 2 403.273 2.932 50 0 HFAALO C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H]1COc2ccccc2O1 ZINC000009959767 571292179 /nfs/dbraw/zinc/29/21/79/571292179.db2.gz STZVOJUGSYRIPA-FQEVSTJZSA-N 1 2 423.513 2.636 50 0 HFAALO C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C[C@H]1COc2ccccc2O1 ZINC000009959767 571292180 /nfs/dbraw/zinc/29/21/80/571292180.db2.gz STZVOJUGSYRIPA-FQEVSTJZSA-N 1 2 423.513 2.636 50 0 HFAALO O=C1C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000000821618 132233760 /nfs/dbraw/zinc/23/37/60/132233760.db2.gz QWXFXTUWBKZIKH-GOSISDBHSA-N 1 2 414.303 2.903 50 0 HFAALO O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004271833 132274245 /nfs/dbraw/zinc/27/42/45/132274245.db2.gz RMLVGWJWYCXKAS-UHFFFAOYSA-N 1 2 414.259 2.913 50 0 HFAALO O=C(CCC(=O)N1CCOc2ccc(Cl)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000006797485 132316901 /nfs/dbraw/zinc/31/69/01/132316901.db2.gz HWAFOQAYBQYJJC-UHFFFAOYSA-N 1 2 414.893 2.589 50 0 HFAALO O=C(C[NH+](Cc1cccs1)Cc1cccs1)N1CCN(c2ncccn2)CC1 ZINC000007688625 132325309 /nfs/dbraw/zinc/32/53/09/132325309.db2.gz FBMQJMIHFRHEBT-UHFFFAOYSA-N 1 2 413.572 2.951 50 0 HFAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CC(=O)Nc2ccccc21 ZINC000008314666 132329517 /nfs/dbraw/zinc/32/95/17/132329517.db2.gz JXYMHLXSALARBO-GOSISDBHSA-N 1 2 407.470 2.970 50 0 HFAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CC(=O)Nc2ccccc21 ZINC000008314666 132329518 /nfs/dbraw/zinc/32/95/18/132329518.db2.gz JXYMHLXSALARBO-GOSISDBHSA-N 1 2 407.470 2.970 50 0 HFAALO O=C(CSc1nnc(C2CC2)n1Cc1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000010765194 132346463 /nfs/dbraw/zinc/34/64/63/132346463.db2.gz GBTIXFWYWPOFPB-UHFFFAOYSA-N 1 2 424.530 2.633 50 0 HFAALO COc1ccc(OC)c(NC(=O)CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c1 ZINC000011010364 132347149 /nfs/dbraw/zinc/34/71/49/132347149.db2.gz NAQNYVDHTJCAGR-UHFFFAOYSA-N 1 2 412.490 2.844 50 0 HFAALO COc1ccccc1N1CC[NH+](CCNC(=O)c2ccc(Br)o2)CC1 ZINC000011900200 132351798 /nfs/dbraw/zinc/35/17/98/132351798.db2.gz YPALNKUTMSLCAF-UHFFFAOYSA-N 1 2 408.296 2.603 50 0 HFAALO C[N@H+](CC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)Cc1cccnc1 ZINC000012431099 132359728 /nfs/dbraw/zinc/35/97/28/132359728.db2.gz VSVVDHMAPCAWJT-KRWDZBQOSA-N 1 2 407.440 2.712 50 0 HFAALO C[N@@H+](CC(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)Cc1cccnc1 ZINC000012431099 132359730 /nfs/dbraw/zinc/35/97/30/132359730.db2.gz VSVVDHMAPCAWJT-KRWDZBQOSA-N 1 2 407.440 2.712 50 0 HFAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ncnc5c4cnn5C)CC3)c2cc1Cl ZINC000013005447 132451468 /nfs/dbraw/zinc/45/14/68/132451468.db2.gz RCKYMADHMLTVKA-UHFFFAOYSA-N 1 2 424.892 2.754 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)CCc3nc(C(C)(C)C)no3)CC2)cc1OC ZINC000032710397 524030849 /nfs/dbraw/zinc/03/08/49/524030849.db2.gz ZARNKEUJGBCGCY-UHFFFAOYSA-N 1 2 416.522 2.661 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000023805991 525760456 /nfs/dbraw/zinc/76/04/56/525760456.db2.gz VPERQVIAGZXJNE-HSZRJFAPSA-N 1 2 421.541 2.921 50 0 HFAALO O=C(NCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccsc1 ZINC000042383064 526314522 /nfs/dbraw/zinc/31/45/22/526314522.db2.gz ARGYVUGBCDKNFX-UHFFFAOYSA-N 1 2 411.449 2.955 50 0 HFAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032459347 526683016 /nfs/dbraw/zinc/68/30/16/526683016.db2.gz XSLPBRIAUSJBNB-UHFFFAOYSA-N 1 2 423.513 2.818 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCc1ccc2c(c1)OCCO2)c1cccc(F)c1 ZINC000032802393 527463737 /nfs/dbraw/zinc/46/37/37/527463737.db2.gz PCFIXQHTTCESCZ-HXUWFJFHSA-N 1 2 410.449 2.962 50 0 HFAALO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(OC)cc2)C1 ZINC000004659354 535467891 /nfs/dbraw/zinc/46/78/91/535467891.db2.gz IUWWNHTVILOLQX-INIZCTEOSA-N 1 2 408.506 2.909 50 0 HFAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000002404649 557344990 /nfs/dbraw/zinc/34/49/90/557344990.db2.gz ALRCHGUGGUCZCX-ZDUSSCGKSA-N 1 2 419.453 2.697 50 0 HFAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000002404649 557344993 /nfs/dbraw/zinc/34/49/93/557344993.db2.gz ALRCHGUGGUCZCX-ZDUSSCGKSA-N 1 2 419.453 2.697 50 0 HFAALO COC(=O)c1ccc(N2C(=O)C[C@@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000002728259 557371128 /nfs/dbraw/zinc/37/11/28/557371128.db2.gz LWSBRQIJUJTXAJ-QGZVFWFLSA-N 1 2 409.467 2.957 50 0 HFAALO Cc1ccc(CN2CCO[C@@H](C[NH+]3CCN(C(=O)c4ccc(C)cc4)CC3)C2)cc1 ZINC000034691726 557371969 /nfs/dbraw/zinc/37/19/69/557371969.db2.gz CRHFAKUWCZVYKX-DEOSSOPVSA-N 1 2 407.558 2.962 50 0 HFAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1)S2 ZINC000022784227 557820144 /nfs/dbraw/zinc/82/01/44/557820144.db2.gz ULTONSFAHRKFSZ-AWEZNQCLSA-N 1 2 422.352 2.904 50 0 HFAALO Cc1cccc(C(=O)Nc2c(C(=O)N3CC[NH+](C)CC3)cnn2-c2ccccc2)c1 ZINC000019790791 558282501 /nfs/dbraw/zinc/28/25/01/558282501.db2.gz MIDPJASMXSPFAS-UHFFFAOYSA-N 1 2 403.486 2.821 50 0 HFAALO C[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)CC1 ZINC000019798279 558284783 /nfs/dbraw/zinc/28/47/83/558284783.db2.gz NGXZDUMCZAGUAS-UHFFFAOYSA-N 1 2 407.449 2.651 50 0 HFAALO COc1cc(C(=S)N2CC[NH+](CCO)CC2)ccc1OCc1ccc(C)cc1 ZINC000019840701 558294021 /nfs/dbraw/zinc/29/40/21/558294021.db2.gz JATBEANDVRLSNK-UHFFFAOYSA-N 1 2 400.544 2.868 50 0 HFAALO COc1ccccc1-n1cc(CNC(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)cn1 ZINC000012026490 558310258 /nfs/dbraw/zinc/31/02/58/558310258.db2.gz MRMJNDDPKYGCPB-QGZVFWFLSA-N 1 2 406.486 2.780 50 0 HFAALO COc1ccccc1-n1cc(CNC(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cn1 ZINC000012026490 558310259 /nfs/dbraw/zinc/31/02/59/558310259.db2.gz MRMJNDDPKYGCPB-QGZVFWFLSA-N 1 2 406.486 2.780 50 0 HFAALO Cc1c(Cl)cccc1Nc1nc(N)nc(CSC(=S)N2CC[NH+](C)CC2)n1 ZINC000020135860 558337713 /nfs/dbraw/zinc/33/77/13/558337713.db2.gz YXYDWZLGRXHNGJ-UHFFFAOYSA-N 1 2 423.999 2.925 50 0 HFAALO C[N@H+](CCN1CCOCC1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000020149153 558340086 /nfs/dbraw/zinc/34/00/86/558340086.db2.gz HCAFJEMXNXVZEU-UHFFFAOYSA-N 1 2 419.595 2.566 50 0 HFAALO C[N@@H+](CCN1CCOCC1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000020149153 558340090 /nfs/dbraw/zinc/34/00/90/558340090.db2.gz HCAFJEMXNXVZEU-UHFFFAOYSA-N 1 2 419.595 2.566 50 0 HFAALO CN(CC[NH+]1CCOCC1)Cc1c(C(=O)N2CCCCCCC2)nc2sccn12 ZINC000020149153 558340094 /nfs/dbraw/zinc/34/00/94/558340094.db2.gz HCAFJEMXNXVZEU-UHFFFAOYSA-N 1 2 419.595 2.566 50 0 HFAALO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3nc(C)c[nH]3)CC2)c(Cl)c1 ZINC000012203078 558351997 /nfs/dbraw/zinc/35/19/97/558351997.db2.gz XIZSCTGMCKKQEE-UHFFFAOYSA-N 1 2 406.914 2.791 50 0 HFAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000020407842 558360467 /nfs/dbraw/zinc/36/04/67/558360467.db2.gz BXVHXDXSCHILOW-UHFFFAOYSA-N 1 2 421.497 2.866 50 0 HFAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cnc(N(C)C)s2)C[C@@H]1CCO ZINC000020454304 558368277 /nfs/dbraw/zinc/36/82/77/558368277.db2.gz VTVGWVRXKWMLKM-SFHVURJKSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cnc(N(C)C)s2)C[C@@H]1CCO ZINC000020454304 558368280 /nfs/dbraw/zinc/36/82/80/558368280.db2.gz VTVGWVRXKWMLKM-SFHVURJKSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccccc1CN1CC[N@H+](Cc2cnc(N(C)C)s2)C[C@@H]1CCO ZINC000020454304 558368281 /nfs/dbraw/zinc/36/82/81/558368281.db2.gz VTVGWVRXKWMLKM-SFHVURJKSA-N 1 2 404.580 2.677 50 0 HFAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cnc(N(C)C)s2)C[C@@H]1CCO ZINC000020454304 558368284 /nfs/dbraw/zinc/36/82/84/558368284.db2.gz VTVGWVRXKWMLKM-SFHVURJKSA-N 1 2 404.580 2.677 50 0 HFAALO COCCS(=O)(=O)c1ncc(C[N@@H+]2C[C@H]3C[C@@H]2CCC3)n1Cc1ccccc1 ZINC000012317089 558380441 /nfs/dbraw/zinc/38/04/41/558380441.db2.gz CGZLFZWITUZVQS-MOPGFXCFSA-N 1 2 403.548 2.726 50 0 HFAALO COCCS(=O)(=O)c1ncc(C[N@H+]2C[C@H]3C[C@@H]2CCC3)n1Cc1ccccc1 ZINC000012317089 558380445 /nfs/dbraw/zinc/38/04/45/558380445.db2.gz CGZLFZWITUZVQS-MOPGFXCFSA-N 1 2 403.548 2.726 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)c(F)c1 ZINC000020906532 558421181 /nfs/dbraw/zinc/42/11/81/558421181.db2.gz HDMSPDRLBKQKTH-SFHVURJKSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3cccc4c3OCO4)C[C@@H]2CCO)c(F)c1 ZINC000020906532 558421184 /nfs/dbraw/zinc/42/11/84/558421184.db2.gz HDMSPDRLBKQKTH-SFHVURJKSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)c(F)c1 ZINC000020906532 558421186 /nfs/dbraw/zinc/42/11/86/558421186.db2.gz HDMSPDRLBKQKTH-SFHVURJKSA-N 1 2 402.466 2.632 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3cccc4c3OCO4)C[C@@H]2CCO)c(F)c1 ZINC000020906532 558421188 /nfs/dbraw/zinc/42/11/88/558421188.db2.gz HDMSPDRLBKQKTH-SFHVURJKSA-N 1 2 402.466 2.632 50 0 HFAALO C[C@H]1CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000004341621 558425228 /nfs/dbraw/zinc/42/52/28/558425228.db2.gz YRUXVUNKLQRSAB-STQMWFEESA-N 1 2 401.467 2.683 50 0 HFAALO COc1cc(OC)cc([C@@H](NS(=O)(=O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000010748834 558436519 /nfs/dbraw/zinc/43/65/19/558436519.db2.gz VMMIIKWGLPJXPK-LJQANCHMSA-N 1 2 401.488 2.646 50 0 HFAALO COc1ccc(NC(=O)c2ccc(SCC[NH+]3CCOCC3)nc2)c(OC)c1 ZINC000021663535 558445188 /nfs/dbraw/zinc/44/51/88/558445188.db2.gz LRDKUTBNWIICOR-UHFFFAOYSA-N 1 2 403.504 2.775 50 0 HFAALO COc1ccc(C[NH+]2CCN([C@H](C)C(=O)NCCc3cccs3)CC2)cc1OC ZINC000022095513 558463386 /nfs/dbraw/zinc/46/33/86/558463386.db2.gz UUSMPSMJNKXCFH-QGZVFWFLSA-N 1 2 417.575 2.630 50 0 HFAALO COc1ccc(CN2CC[NH+]([C@H](C)C(=O)NCCc3cccs3)CC2)cc1OC ZINC000022095513 558463388 /nfs/dbraw/zinc/46/33/88/558463388.db2.gz UUSMPSMJNKXCFH-QGZVFWFLSA-N 1 2 417.575 2.630 50 0 HFAALO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCN(c2nccs2)CC1 ZINC000012794902 558467912 /nfs/dbraw/zinc/46/79/12/558467912.db2.gz KVXQPBNEORMALS-UHFFFAOYSA-N 1 2 409.353 2.686 50 0 HFAALO O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000022356821 558482783 /nfs/dbraw/zinc/48/27/83/558482783.db2.gz FDGGVPGIPYGOAP-UHFFFAOYSA-N 1 2 404.514 2.954 50 0 HFAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000012976725 558491776 /nfs/dbraw/zinc/49/17/76/558491776.db2.gz IWZMWUJBJVAHIL-HNNXBMFYSA-N 1 2 417.893 2.509 50 0 HFAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000012976725 558491779 /nfs/dbraw/zinc/49/17/79/558491779.db2.gz IWZMWUJBJVAHIL-HNNXBMFYSA-N 1 2 417.893 2.509 50 0 HFAALO CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2cccc3nsnc32)CC1 ZINC000022752393 558507674 /nfs/dbraw/zinc/50/76/74/558507674.db2.gz IIDUJUPWHMWUSC-UHFFFAOYSA-N 1 2 411.531 2.846 50 0 HFAALO C[C@@H]1CCCC[C@]12NC(=O)N(CN1CC[NH+](Cc3ccc(Cl)s3)CC1)C2=O ZINC000022786773 558511002 /nfs/dbraw/zinc/51/10/02/558511002.db2.gz DUMZVDARDGFTHF-KUHUBIRLSA-N 1 2 410.971 2.977 50 0 HFAALO C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CC[NH+](Cc3ccc(Cl)s3)CC1)C2=O ZINC000022786783 558511118 /nfs/dbraw/zinc/51/11/18/558511118.db2.gz DUMZVDARDGFTHF-AUUYWEPGSA-N 1 2 410.971 2.977 50 0 HFAALO COc1ccc(F)cc1C[NH+]1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000022798039 558512531 /nfs/dbraw/zinc/51/25/31/558512531.db2.gz JGDNMXVDUOWKDD-UHFFFAOYSA-N 1 2 415.513 2.902 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000022815583 558514624 /nfs/dbraw/zinc/51/46/24/558514624.db2.gz IKAWNTSAENPUGN-UHFFFAOYSA-N 1 2 421.497 2.543 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000022914925 558521365 /nfs/dbraw/zinc/52/13/65/558521365.db2.gz OUXWVQGVHAVRIP-PMACEKPBSA-N 1 2 408.546 2.817 50 0 HFAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000022915909 558521425 /nfs/dbraw/zinc/52/14/25/558521425.db2.gz PUBOAKOKGQMPTD-HXUWFJFHSA-N 1 2 400.567 2.651 50 0 HFAALO Cc1cccc(C)c1NC(=O)CN1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000022915914 558521477 /nfs/dbraw/zinc/52/14/77/558521477.db2.gz PUBOAKOKGQMPTD-FQEVSTJZSA-N 1 2 400.567 2.651 50 0 HFAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 ZINC000023674338 558567128 /nfs/dbraw/zinc/56/71/28/558567128.db2.gz FNWQIJOQNVATJS-KRWDZBQOSA-N 1 2 401.463 2.532 50 0 HFAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 ZINC000023674338 558567129 /nfs/dbraw/zinc/56/71/29/558567129.db2.gz FNWQIJOQNVATJS-KRWDZBQOSA-N 1 2 401.463 2.532 50 0 HFAALO O=C(c1cncn1-c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023873338 558579365 /nfs/dbraw/zinc/57/93/65/558579365.db2.gz YMDVPSKZSRYAEE-UHFFFAOYSA-N 1 2 408.433 2.698 50 0 HFAALO O=C(CCc1nc(-c2ccsc2)no1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024209613 558592344 /nfs/dbraw/zinc/59/23/44/558592344.db2.gz IXGWXWFFCKDHNR-UHFFFAOYSA-N 1 2 412.515 2.879 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000024831775 558615049 /nfs/dbraw/zinc/61/50/49/558615049.db2.gz VQUKVVSXDSKTHL-MHZGPWMTSA-N 1 2 406.530 2.958 50 0 HFAALO CC[C@]1(C)NC(=O)N(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)C1=O ZINC000014201398 558636750 /nfs/dbraw/zinc/63/67/50/558636750.db2.gz CLPHIKKGQVFMRL-SFHVURJKSA-N 1 2 406.533 2.564 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000025291212 558637005 /nfs/dbraw/zinc/63/70/05/558637005.db2.gz VWKVLYPPPFTCCO-UHFFFAOYSA-N 1 2 421.501 2.592 50 0 HFAALO CC(=O)N[C@@H](CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(C)cc1 ZINC000025380529 558639312 /nfs/dbraw/zinc/63/93/12/558639312.db2.gz VOKOFNODAFHKTH-NRFANRHFSA-N 1 2 423.513 2.635 50 0 HFAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)c2c(c1)OCCO2 ZINC000025585931 558644981 /nfs/dbraw/zinc/64/49/81/558644981.db2.gz RKODWCTXTNWPLU-UHFFFAOYSA-N 1 2 402.878 2.873 50 0 HFAALO Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000014493150 558655292 /nfs/dbraw/zinc/65/52/92/558655292.db2.gz JNHCXKTVVAXWIT-UHFFFAOYSA-N 1 2 407.923 2.837 50 0 HFAALO CCOc1ccccc1N1CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000026465840 558661648 /nfs/dbraw/zinc/66/16/48/558661648.db2.gz LKVPIULRVRORDN-SFHVURJKSA-N 1 2 410.518 2.622 50 0 HFAALO CCC[NH+]1CCN(C(=O)c2sc3ncnc(NC[C@@H]4CCCO4)c3c2C)CC1 ZINC000014985181 558692681 /nfs/dbraw/zinc/69/26/81/558692681.db2.gz VHXJETCIGKGQIF-HNNXBMFYSA-N 1 2 403.552 2.758 50 0 HFAALO COc1cccc([C@H](NC(=O)NCCc2ccc3c(c2)OCCO3)c2[nH+]ccn2C)c1 ZINC000029727844 558719529 /nfs/dbraw/zinc/71/95/29/558719529.db2.gz GTGYWQXOSSUXRU-NRFANRHFSA-N 1 2 422.485 2.831 50 0 HFAALO CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000029759102 558720376 /nfs/dbraw/zinc/72/03/76/558720376.db2.gz XQHVHKSNRZJRAP-UHFFFAOYSA-N 1 2 416.349 2.821 50 0 HFAALO CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000029759102 558720379 /nfs/dbraw/zinc/72/03/79/558720379.db2.gz XQHVHKSNRZJRAP-UHFFFAOYSA-N 1 2 416.349 2.821 50 0 HFAALO COc1cc(C(=O)NCC[NH+]2CCOCC2)ccc1OCc1ccccc1Cl ZINC000015592757 558745329 /nfs/dbraw/zinc/74/53/29/558745329.db2.gz KATJKRWNKAFQSX-UHFFFAOYSA-N 1 2 404.894 2.990 50 0 HFAALO Cn1c[nH+]cc1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000072310778 558777916 /nfs/dbraw/zinc/77/79/16/558777916.db2.gz CWCCLAWKWJAYST-GOSISDBHSA-N 1 2 413.499 2.717 50 0 HFAALO CCCNC(=O)NC(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000034886218 558786615 /nfs/dbraw/zinc/78/66/15/558786615.db2.gz IPKRQRMXBHTCMG-HXUWFJFHSA-N 1 2 417.531 2.949 50 0 HFAALO CCCNC(=O)NC(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000034886218 558786619 /nfs/dbraw/zinc/78/66/19/558786619.db2.gz IPKRQRMXBHTCMG-HXUWFJFHSA-N 1 2 417.531 2.949 50 0 HFAALO CC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000035742185 558794966 /nfs/dbraw/zinc/79/49/66/558794966.db2.gz XLUFSRDHEIAJIY-UHFFFAOYSA-N 1 2 417.531 2.662 50 0 HFAALO Cc1c(NC(=O)C[NH+]2CCN(c3ccccc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000035800852 558795080 /nfs/dbraw/zinc/79/50/80/558795080.db2.gz VEJPVRFAQSLPEC-UHFFFAOYSA-N 1 2 419.529 2.554 50 0 HFAALO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)c2ccccc2)cc1Cl ZINC000033040186 558869523 /nfs/dbraw/zinc/86/95/23/558869523.db2.gz ZIDXEBUWPDLREM-QAPCUYQASA-N 1 2 408.907 2.805 50 0 HFAALO NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000055060415 558870920 /nfs/dbraw/zinc/87/09/20/558870920.db2.gz PAJNFDOSKFUZLL-UHFFFAOYSA-N 1 2 407.301 2.853 50 0 HFAALO COc1ccc(NC(=O)NCC[NH+]2CCN(c3cc(OC)ccc3OC)CC2)cc1 ZINC000055555030 558882229 /nfs/dbraw/zinc/88/22/29/558882229.db2.gz VQYPMPFKIVUEBB-UHFFFAOYSA-N 1 2 414.506 2.656 50 0 HFAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058010487 558895039 /nfs/dbraw/zinc/89/50/39/558895039.db2.gz PGMDJWKIMOFXBO-CBGDNZLLSA-N 1 2 424.545 2.772 50 0 HFAALO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1CNc1nc(C)[nH+]cc1C ZINC000071439436 558899593 /nfs/dbraw/zinc/89/95/93/558899593.db2.gz VDYFJCCKADJTLP-UHFFFAOYSA-N 1 2 404.474 2.703 50 0 HFAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000058153972 558902652 /nfs/dbraw/zinc/90/26/52/558902652.db2.gz LQUUSLOWCLFPDP-UHFFFAOYSA-N 1 2 405.458 2.773 50 0 HFAALO C[C@@H](C(N)=O)[N@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748532 558908800 /nfs/dbraw/zinc/90/88/00/558908800.db2.gz LZEJKNONKKTVFW-AWEZNQCLSA-N 1 2 405.930 2.700 50 0 HFAALO C[C@@H](C(N)=O)[N@@H+](C)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000071748532 558908803 /nfs/dbraw/zinc/90/88/03/558908803.db2.gz LZEJKNONKKTVFW-AWEZNQCLSA-N 1 2 405.930 2.700 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1 ZINC000019551567 558915594 /nfs/dbraw/zinc/91/55/94/558915594.db2.gz GNYVXTYCFBHVNX-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000058328482 558920021 /nfs/dbraw/zinc/92/00/21/558920021.db2.gz XXPDXLVBYQQRIA-XMSQKQJNSA-N 1 2 409.530 2.730 50 0 HFAALO C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)c1cccc2ccccc21 ZINC000058328482 558920024 /nfs/dbraw/zinc/92/00/24/558920024.db2.gz XXPDXLVBYQQRIA-XMSQKQJNSA-N 1 2 409.530 2.730 50 0 HFAALO COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-n3cccn3)nc(C)[nH+]2)CC1 ZINC000065362909 558973646 /nfs/dbraw/zinc/97/36/46/558973646.db2.gz OSXQLBHLVFVHDV-UHFFFAOYSA-N 1 2 407.478 2.642 50 0 HFAALO CCOc1ccc(C(=O)N2CCN(c3cc(-n4nc(C)cc4C)nc(C)[nH+]3)CC2)cc1 ZINC000067601922 558987651 /nfs/dbraw/zinc/98/76/51/558987651.db2.gz IMGSJCHMADQYQL-UHFFFAOYSA-N 1 2 420.517 2.949 50 0 HFAALO CCc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000067630032 558990253 /nfs/dbraw/zinc/99/02/53/558990253.db2.gz UWCMUQTVQZJYAJ-UHFFFAOYSA-N 1 2 415.559 2.887 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)CSc1nnc(N2CC[NH+](C)CC2)s1 ZINC000023139766 559020128 /nfs/dbraw/zinc/02/01/28/559020128.db2.gz NMBHEFPYCSQZBN-UHFFFAOYSA-N 1 2 413.956 2.683 50 0 HFAALO CC(C)(O)C1CC[NH+](Cc2nc3c(nc(Cl)nc3N3CCOCC3)s2)CC1 ZINC000095698509 559087956 /nfs/dbraw/zinc/08/79/56/559087956.db2.gz NEHKWJPCCDEZSW-UHFFFAOYSA-N 1 2 411.959 2.559 50 0 HFAALO CCCCCCOc1ccc(N2C(=O)C[C@H](SC[C@@H]([NH3+])C(=O)OCC)C2=O)cc1 ZINC000100749522 559139701 /nfs/dbraw/zinc/13/97/01/559139701.db2.gz NOBGEUNIDGHZMI-MSOLQXFVSA-N 1 2 422.547 2.901 50 0 biogenic HFAALO O=C1C[C@H](N2CC[NH+](Cc3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100129859 559162303 /nfs/dbraw/zinc/16/23/03/559162303.db2.gz LVWZZFZPZPGRFX-IBGZPJMESA-N 1 2 401.869 2.929 50 0 HFAALO CC(C)(C)[N@@H+]1CCOP1O[C@@H]1[C@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000263621527 559166525 /nfs/dbraw/zinc/16/65/25/559166525.db2.gz XXJKJLFIYTWREQ-SSIAHQTGSA-N 1 2 405.428 2.757 50 0 HFAALO CC(C)(C)[N@H+]1CCOP1O[C@@H]1[C@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000263621527 559166526 /nfs/dbraw/zinc/16/65/26/559166526.db2.gz XXJKJLFIYTWREQ-SSIAHQTGSA-N 1 2 405.428 2.757 50 0 HFAALO CCOC(=O)c1c(NC(=O)[C@H](C)[NH+]2CCC(C(N)=O)CC2)sc2c1CC[C@H](C)C2 ZINC000003252575 560589458 /nfs/dbraw/zinc/58/94/58/560589458.db2.gz GOBPCWKPCYCKMX-STQMWFEESA-N 1 2 421.563 2.574 50 0 HFAALO COc1c(Cl)c(Cl)ccc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000016577940 560739444 /nfs/dbraw/zinc/73/94/44/560739444.db2.gz UTZPROCIGFCNQG-UHFFFAOYSA-N 1 2 402.303 2.908 50 0 HFAALO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000101079458 560771415 /nfs/dbraw/zinc/77/14/15/560771415.db2.gz WUDUWXJEBMPLBA-ZACQAIPSSA-N 1 2 410.543 2.884 50 0 HFAALO C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048130 560774052 /nfs/dbraw/zinc/77/40/52/560774052.db2.gz KAJTUQAMMGGYTF-OAHLLOKOSA-N 1 2 416.478 2.557 50 0 HFAALO O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000103443340 560842058 /nfs/dbraw/zinc/84/20/58/560842058.db2.gz VLNJXDFZKBGHPA-HOTGVXAUSA-N 1 2 410.440 2.745 50 0 HFAALO O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000103443340 560842060 /nfs/dbraw/zinc/84/20/60/560842060.db2.gz VLNJXDFZKBGHPA-HOTGVXAUSA-N 1 2 410.440 2.745 50 0 HFAALO C[NH+]1CCN(C(=O)c2nnsc2NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000025186006 560891358 /nfs/dbraw/zinc/89/13/58/560891358.db2.gz WASRLCLERUHINA-UHFFFAOYSA-N 1 2 415.306 2.877 50 0 HFAALO CCn1c(C)cc(O)c([C@@H](c2ccccn2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697426 568415516 /nfs/dbraw/zinc/41/55/16/568415516.db2.gz DJVDRGGTAUVADQ-JOCHJYFZSA-N 1 2 405.502 2.584 50 0 HFAALO O=C(Cn1cc[nH+]c1-c1ccnc(N2CCSCC2)c1)NCc1ccc(F)cc1 ZINC000049409753 568449715 /nfs/dbraw/zinc/44/97/15/568449715.db2.gz HITWCTYWZNJHBF-UHFFFAOYSA-N 1 2 411.506 2.954 50 0 HFAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000000792110 568480965 /nfs/dbraw/zinc/48/09/65/568480965.db2.gz XJTLMVSLPCQPJW-UHFFFAOYSA-N 1 2 422.514 2.734 50 0 HFAALO Cc1ccc(N2C[C@@H](C(=O)N3CC([N@@H+]4CCc5sccc5C4)C3)CC2=O)cc1C ZINC000390827526 568490218 /nfs/dbraw/zinc/49/02/18/568490218.db2.gz HHBCDCRPAIYMGC-SFHVURJKSA-N 1 2 409.555 2.987 50 0 HFAALO Cc1ccc(N2C[C@@H](C(=O)N3CC([N@H+]4CCc5sccc5C4)C3)CC2=O)cc1C ZINC000390827526 568490220 /nfs/dbraw/zinc/49/02/20/568490220.db2.gz HHBCDCRPAIYMGC-SFHVURJKSA-N 1 2 409.555 2.987 50 0 HFAALO Cc1cccc(CNC(=O)C[C@@H]2C(=O)NCC[N@H+]2Cc2ccc3ccccc3c2)n1 ZINC000014980597 568581213 /nfs/dbraw/zinc/58/12/13/568581213.db2.gz YXMHECKAMFXZNS-JOCHJYFZSA-N 1 2 402.498 2.550 50 0 HFAALO Cc1cccc(CNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2ccc3ccccc3c2)n1 ZINC000014980597 568581214 /nfs/dbraw/zinc/58/12/14/568581214.db2.gz YXMHECKAMFXZNS-JOCHJYFZSA-N 1 2 402.498 2.550 50 0 HFAALO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O ZINC000020102481 568587855 /nfs/dbraw/zinc/58/78/55/568587855.db2.gz FRDJGZHISRXNNQ-SFHVURJKSA-N 1 2 422.554 2.948 50 0 HFAALO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O ZINC000020102481 568587857 /nfs/dbraw/zinc/58/78/57/568587857.db2.gz FRDJGZHISRXNNQ-SFHVURJKSA-N 1 2 422.554 2.948 50 0 HFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C)c(Cl)c1)[N@H+](C)CC3)OCO2 ZINC000020412810 568605763 /nfs/dbraw/zinc/60/57/63/568605763.db2.gz HFZLLQUFBYPWDW-KRWDZBQOSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C)c(Cl)c1)[N@@H+](C)CC3)OCO2 ZINC000020412810 568605764 /nfs/dbraw/zinc/60/57/64/568605764.db2.gz HFZLLQUFBYPWDW-KRWDZBQOSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO COc1cc(C[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc2c1OCCO2 ZINC000095450121 568614139 /nfs/dbraw/zinc/61/41/39/568614139.db2.gz WWZLPQCCHKYRCO-ZDUSSCGKSA-N 1 2 400.439 2.512 50 0 HFAALO O=S(=O)(NCc1[nH+]ccn1Cc1ccccc1)c1c(Cl)nc2ccccn21 ZINC000095461759 568620907 /nfs/dbraw/zinc/62/09/07/568620907.db2.gz DJSKEBZTLBGBOE-UHFFFAOYSA-N 1 2 401.879 2.711 50 0 HFAALO Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000095463351 568621967 /nfs/dbraw/zinc/62/19/67/568621967.db2.gz MHACEWRCXUWAPY-OAHLLOKOSA-N 1 2 416.909 2.837 50 0 HFAALO Cc1ccc(Cl)cc1-n1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020610515 568636930 /nfs/dbraw/zinc/63/69/30/568636930.db2.gz OHAUJTAZALKERH-IBGZPJMESA-N 1 2 422.872 2.910 50 0 biogenic HFAALO C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCC2=CCCCC2)c3=O)CC1 ZINC000020645339 568638956 /nfs/dbraw/zinc/63/89/56/568638956.db2.gz VSIKDGJUTHTEKC-UHFFFAOYSA-N 1 2 412.559 2.963 50 0 HFAALO CCOc1ccc(-c2nc(CSCC(=O)NCC[NH+]3CCOCC3)c(C)o2)cc1 ZINC000020737027 568641222 /nfs/dbraw/zinc/64/12/22/568641222.db2.gz PWPWVSKNSIPQJT-UHFFFAOYSA-N 1 2 419.547 2.730 50 0 HFAALO CCOc1ccc(-c2nc(C[N@H+](C[C@@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 ZINC000225571722 568652377 /nfs/dbraw/zinc/65/23/77/568652377.db2.gz RGRLKYUPPHWHST-OAHLLOKOSA-N 1 2 424.588 2.969 50 0 HFAALO CCOc1ccc(-c2nc(C[N@@H+](C[C@@H](C)O)C3CCS(=O)(=O)CC3)cs2)cc1 ZINC000225571722 568652381 /nfs/dbraw/zinc/65/23/81/568652381.db2.gz RGRLKYUPPHWHST-OAHLLOKOSA-N 1 2 424.588 2.969 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)c(OC)c1OC ZINC000021095526 568664825 /nfs/dbraw/zinc/66/48/25/568664825.db2.gz ZNXCROZTTZSJPQ-UHFFFAOYSA-N 1 2 424.497 2.833 50 0 HFAALO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000095974405 568672346 /nfs/dbraw/zinc/67/23/46/568672346.db2.gz CTGUOKUKVLWJBB-OAHLLOKOSA-N 1 2 407.561 2.514 50 0 HFAALO CC(=O)N1CC[C@H](C[N@H+](C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C1 ZINC000095974405 568672349 /nfs/dbraw/zinc/67/23/49/568672349.db2.gz CTGUOKUKVLWJBB-OAHLLOKOSA-N 1 2 407.561 2.514 50 0 HFAALO Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000021155514 568673580 /nfs/dbraw/zinc/67/35/80/568673580.db2.gz ALSTUHNKEJBWDF-JOCHJYFZSA-N 1 2 408.546 2.690 50 0 HFAALO Cn1cccc1[C@@H](CNC(=O)C(=O)NC1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000021155514 568673582 /nfs/dbraw/zinc/67/35/82/568673582.db2.gz ALSTUHNKEJBWDF-JOCHJYFZSA-N 1 2 408.546 2.690 50 0 HFAALO C[C@H]1CC(=O)N[NH+]=C1c1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000096564487 568760831 /nfs/dbraw/zinc/76/08/31/568760831.db2.gz YMBDYYPQYPIYOX-SFHVURJKSA-N 1 2 404.514 2.828 50 0 HFAALO COc1ccc(C[NH+]2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1F ZINC000096865441 568764969 /nfs/dbraw/zinc/76/49/69/568764969.db2.gz GRYQKMUIQJZREF-UHFFFAOYSA-N 1 2 418.513 2.554 50 0 HFAALO O=C(c1ccco1)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000025514286 568773690 /nfs/dbraw/zinc/77/36/90/568773690.db2.gz XLRJCIGMBXSDJN-SFHVURJKSA-N 1 2 401.894 2.882 50 0 HFAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000028694710 568802190 /nfs/dbraw/zinc/80/21/90/568802190.db2.gz KHXVPZCGNJYDFF-UHFFFAOYSA-N 1 2 405.426 2.858 50 0 HFAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)c1 ZINC000082039679 568818630 /nfs/dbraw/zinc/81/86/30/568818630.db2.gz VQGRKCJXWNBRMZ-UHFFFAOYSA-N 1 2 410.470 2.834 50 0 HFAALO COc1ccc(OC)c(CN2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)c1 ZINC000082039679 568818633 /nfs/dbraw/zinc/81/86/33/568818633.db2.gz VQGRKCJXWNBRMZ-UHFFFAOYSA-N 1 2 410.470 2.834 50 0 HFAALO O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029490686 568826801 /nfs/dbraw/zinc/82/68/01/568826801.db2.gz HQLSUCYREYTWBJ-FQEVSTJZSA-N 1 2 400.862 2.717 50 0 HFAALO CCOC(=O)C1C(C[N@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414700 568833661 /nfs/dbraw/zinc/83/36/61/568833661.db2.gz WYHXHIOVJLFJJK-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CCOC(=O)C1C(C[N@@H+](C)Cc2ccccc2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414700 568833662 /nfs/dbraw/zinc/83/36/62/568833662.db2.gz WYHXHIOVJLFJJK-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CC[N@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)NC(=O)N1 ZINC000057414817 568833753 /nfs/dbraw/zinc/83/37/53/568833753.db2.gz IWQKVWMVLSNGKY-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO CC[N@@H+](Cc1ccccc1)CC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)NC(=O)N1 ZINC000057414817 568833754 /nfs/dbraw/zinc/83/37/54/568833754.db2.gz IWQKVWMVLSNGKY-OAQYLSRUSA-N 1 2 409.486 2.998 50 0 HFAALO O=C(Cn1nnn(-c2cccs2)c1=O)Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000012545148 568849889 /nfs/dbraw/zinc/84/98/89/568849889.db2.gz TZZAYHLIGADWMQ-UHFFFAOYSA-N 1 2 406.471 2.556 50 0 HFAALO COc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000012561537 568858486 /nfs/dbraw/zinc/85/84/86/568858486.db2.gz BRNUTQJSMIXUKD-KKSFZXQISA-N 1 2 414.502 2.904 50 0 HFAALO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c(C)c1 ZINC000012569218 568861436 /nfs/dbraw/zinc/86/14/36/568861436.db2.gz XBOXJCSSKIYXRP-UHFFFAOYSA-N 1 2 421.501 2.932 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000012594442 568868838 /nfs/dbraw/zinc/86/88/38/568868838.db2.gz OEAUAGNALZKZQE-UHFFFAOYSA-N 1 2 420.513 2.777 50 0 HFAALO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783367 568875217 /nfs/dbraw/zinc/87/52/17/568875217.db2.gz YMGZQQWQEAWHAU-SIKLNZKXSA-N 1 2 400.482 2.620 50 0 HFAALO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299783367 568875219 /nfs/dbraw/zinc/87/52/19/568875219.db2.gz YMGZQQWQEAWHAU-SIKLNZKXSA-N 1 2 400.482 2.620 50 0 HFAALO Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cc[nH+]c2)c2ccccc21 ZINC000263585137 568878496 /nfs/dbraw/zinc/87/84/96/568878496.db2.gz FMZVXWJRXSLUMA-SFHVURJKSA-N 1 2 411.506 2.627 50 0 biogenic HFAALO COc1ccc(C[N@H+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1OC ZINC000003342556 568884031 /nfs/dbraw/zinc/88/40/31/568884031.db2.gz QDKUVUMZUNZLSQ-UHFFFAOYSA-N 1 2 408.520 2.595 50 0 HFAALO COc1ccc(C[N@@H+](C)Cc2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1OC ZINC000003342556 568884033 /nfs/dbraw/zinc/88/40/33/568884033.db2.gz QDKUVUMZUNZLSQ-UHFFFAOYSA-N 1 2 408.520 2.595 50 0 HFAALO COc1ccccc1[C@H]1NC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C2=C1C(=O)OC2 ZINC000263616206 568910795 /nfs/dbraw/zinc/91/07/95/568910795.db2.gz HPTLMKZDHIGBIV-LJQANCHMSA-N 1 2 409.442 2.793 50 0 HFAALO O=C(NC1CCCC1)NC1CC[NH+](Cc2nnn3c2CO[C@H](c2ccccc2)C3)CC1 ZINC000263616500 568910904 /nfs/dbraw/zinc/91/09/04/568910904.db2.gz JAYSTMYGHHZUOA-QFIPXVFZSA-N 1 2 424.549 2.756 50 0 HFAALO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)C2CC2)cc1 ZINC000083937857 568926647 /nfs/dbraw/zinc/92/66/47/568926647.db2.gz FTCCEFFBNTUWFW-QHCPKHFHSA-N 1 2 422.529 2.506 50 0 HFAALO COc1ccc([C@@H](NC(=O)C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)C2CC2)cc1 ZINC000083937857 568926648 /nfs/dbraw/zinc/92/66/48/568926648.db2.gz FTCCEFFBNTUWFW-QHCPKHFHSA-N 1 2 422.529 2.506 50 0 HFAALO CC[C@H](c1nnc(SCC(=O)NC[C@H]2CCCO2)n1Cc1ccccc1)[NH+](C)C ZINC000004195232 568951160 /nfs/dbraw/zinc/95/11/60/568951160.db2.gz JBCJNEFNZROGIW-QZTJIDSGSA-N 1 2 417.579 2.726 50 0 HFAALO COc1ccccc1[C@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCCC1 ZINC000012776106 568954644 /nfs/dbraw/zinc/95/46/44/568954644.db2.gz KSZKXCAORZQPBL-IBGZPJMESA-N 1 2 402.516 2.666 50 0 HFAALO CCC(CC)[C@H](CNS(=O)(=O)c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000012948083 569029233 /nfs/dbraw/zinc/02/92/33/569029233.db2.gz KMXRLESNHJRGCO-KRWDZBQOSA-N 1 2 419.385 2.864 50 0 HFAALO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000035430707 569036745 /nfs/dbraw/zinc/03/67/45/569036745.db2.gz NXVSMLBAHHLSCK-UHFFFAOYSA-N 1 2 420.513 2.662 50 0 biogenic HFAALO CCc1cccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c1 ZINC000035430772 569036832 /nfs/dbraw/zinc/03/68/32/569036832.db2.gz QEVAFDNOJMPJJS-UHFFFAOYSA-N 1 2 404.514 2.907 50 0 biogenic HFAALO CC[C@@]1(C)NC(=O)N(NC(=O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)C1=O ZINC000013018388 569051043 /nfs/dbraw/zinc/05/10/43/569051043.db2.gz GETNSXFLUGXKHV-NFBKMPQASA-N 1 2 420.469 2.864 50 0 HFAALO C[C@@H](SCc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000241126151 569054729 /nfs/dbraw/zinc/05/47/29/569054729.db2.gz JJVZIYZQPPOQCZ-SJLPKXTDSA-N 1 2 407.580 2.976 50 0 HFAALO C[C@@H](SCc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000241126151 569054730 /nfs/dbraw/zinc/05/47/30/569054730.db2.gz JJVZIYZQPPOQCZ-SJLPKXTDSA-N 1 2 407.580 2.976 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000245329216 569056054 /nfs/dbraw/zinc/05/60/54/569056054.db2.gz YFJVTDOSLWIELC-LWYYNNOASA-N 1 2 408.429 2.669 50 0 HFAALO COc1ccc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000245329216 569056055 /nfs/dbraw/zinc/05/60/55/569056055.db2.gz YFJVTDOSLWIELC-LWYYNNOASA-N 1 2 408.429 2.669 50 0 HFAALO CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006607104 569071536 /nfs/dbraw/zinc/07/15/36/569071536.db2.gz WPHQMRBPNZNSKG-AWEZNQCLSA-N 1 2 406.552 2.826 50 0 HFAALO CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000006607104 569071537 /nfs/dbraw/zinc/07/15/37/569071537.db2.gz WPHQMRBPNZNSKG-AWEZNQCLSA-N 1 2 406.552 2.826 50 0 HFAALO Cc1nc(CCNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)no1 ZINC000426598816 569073559 /nfs/dbraw/zinc/07/35/59/569073559.db2.gz DXFRCBCNDFZIHW-UHFFFAOYSA-N 1 2 401.492 2.575 50 0 HFAALO Cc1nc(CCNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)no1 ZINC000426598816 569073560 /nfs/dbraw/zinc/07/35/60/569073560.db2.gz DXFRCBCNDFZIHW-UHFFFAOYSA-N 1 2 401.492 2.575 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)CC)CC2)c1Cc1cccc(C)c1 ZINC000036008474 569076298 /nfs/dbraw/zinc/07/62/98/569076298.db2.gz KQGLIQWGROKWEW-UHFFFAOYSA-N 1 2 402.564 2.718 50 0 HFAALO Cc1ccc(-c2c(NC(=O)C[NH+]3CCC(C(N)=O)CC3)oc3ccccc3c2=O)cc1 ZINC000006662446 569085447 /nfs/dbraw/zinc/08/54/47/569085447.db2.gz TVXQPYVYGLRJTE-UHFFFAOYSA-N 1 2 419.481 2.904 50 0 HFAALO O=C(c1ccccc1F)N1CC[NH+]([C@@H](C(=O)N2CCSCC2)C2CCCC2)CC1 ZINC000036251169 569119795 /nfs/dbraw/zinc/11/97/95/569119795.db2.gz DAXUEQJHGNYYIB-HXUWFJFHSA-N 1 2 419.566 2.718 50 0 HFAALO CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)CC1 ZINC000065246493 569205521 /nfs/dbraw/zinc/20/55/21/569205521.db2.gz SPZMVGGLBALVCO-UHFFFAOYSA-N 1 2 408.524 2.950 50 0 HFAALO O=C(c1cc2c(s1)CC[C@@H](C(=O)N1CCN(c3cccc[nH+]3)CC1)C2)N1CCCC1 ZINC000065272860 569215966 /nfs/dbraw/zinc/21/59/66/569215966.db2.gz RTHWGMGNODAPOX-QGZVFWFLSA-N 1 2 424.570 2.833 50 0 HFAALO COc1ccc(C)cc1S(=O)(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700269 569222603 /nfs/dbraw/zinc/22/26/03/569222603.db2.gz NKISUWKTXGYNET-FQEVSTJZSA-N 1 2 404.532 2.746 50 0 HFAALO COc1ccc(C)cc1S(=O)(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036700269 569222604 /nfs/dbraw/zinc/22/26/04/569222604.db2.gz NKISUWKTXGYNET-FQEVSTJZSA-N 1 2 404.532 2.746 50 0 HFAALO CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000036866314 569230683 /nfs/dbraw/zinc/23/06/83/569230683.db2.gz BTXRODBVQAIOIS-OAQYLSRUSA-N 1 2 409.530 2.775 50 0 HFAALO CCC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H](CC)C(=O)OCC ZINC000170612011 569245725 /nfs/dbraw/zinc/24/57/25/569245725.db2.gz YJTXCSHVLTURTR-HXUWFJFHSA-N 1 2 417.550 2.593 50 0 HFAALO CCC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H](CC)C(=O)OCC ZINC000170612011 569245727 /nfs/dbraw/zinc/24/57/27/569245727.db2.gz YJTXCSHVLTURTR-HXUWFJFHSA-N 1 2 417.550 2.593 50 0 HFAALO COc1ccc([C@H](NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c2[nH+]ccn2C)cc1 ZINC000014118570 569258588 /nfs/dbraw/zinc/25/85/88/569258588.db2.gz UFGQHFSWSFGSAJ-SFHVURJKSA-N 1 2 420.391 2.515 50 0 HFAALO Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C)c(=O)[nH]c2=O)c(C)c1 ZINC000017015252 569271776 /nfs/dbraw/zinc/27/17/76/569271776.db2.gz AHRLHYIXURXMKX-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO Cc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C)c(=O)[nH]c2=O)c(C)c1 ZINC000017015252 569271777 /nfs/dbraw/zinc/27/17/77/569271777.db2.gz AHRLHYIXURXMKX-NRFANRHFSA-N 1 2 416.481 2.907 50 0 biogenic HFAALO CCNC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000170651037 569292411 /nfs/dbraw/zinc/29/24/11/569292411.db2.gz MTTUJAIRHOYORN-HBIPHATFSA-N 1 2 401.532 2.805 50 0 HFAALO CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000170651037 569292412 /nfs/dbraw/zinc/29/24/12/569292412.db2.gz MTTUJAIRHOYORN-HBIPHATFSA-N 1 2 401.532 2.805 50 0 HFAALO Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1F ZINC000253431133 569369766 /nfs/dbraw/zinc/36/97/66/569369766.db2.gz UBRVAJZEYDIJIV-INIZCTEOSA-N 1 2 405.495 2.971 50 0 HFAALO COc1ccc([C@H](NC(=O)NCCCN2CCCCCC2=O)c2[nH+]ccn2C)cc1 ZINC000040071876 571152542 /nfs/dbraw/zinc/15/25/42/571152542.db2.gz XNQKQSCGTJTKBY-FQEVSTJZSA-N 1 2 413.522 2.610 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCN1CCCCCC1=O)c1cccc(F)c1 ZINC000040071877 571152643 /nfs/dbraw/zinc/15/26/43/571152643.db2.gz QNKLHMRHPREGHK-LJQANCHMSA-N 1 2 401.486 2.741 50 0 HFAALO COc1cccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c1 ZINC000040091306 571161242 /nfs/dbraw/zinc/16/12/42/571161242.db2.gz MPLNQWQUYSDHQU-INIZCTEOSA-N 1 2 413.522 2.694 50 0 HFAALO CCN1C[C@@H](C[N@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)Oc2ccccc21 ZINC000040119956 571176172 /nfs/dbraw/zinc/17/61/72/571176172.db2.gz YKZDFUISFNDMPW-GOSISDBHSA-N 1 2 419.547 2.783 50 0 HFAALO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)Oc2ccccc21 ZINC000040119956 571176174 /nfs/dbraw/zinc/17/61/74/571176174.db2.gz YKZDFUISFNDMPW-GOSISDBHSA-N 1 2 419.547 2.783 50 0 HFAALO Cc1cc(NC(=O)CSCC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)no1 ZINC000040122111 571178193 /nfs/dbraw/zinc/17/81/93/571178193.db2.gz SCSKEYYBVZSRKK-UHFFFAOYSA-N 1 2 417.535 2.747 50 0 HFAALO O=C(CCNC(=O)C1CCCC1)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000040145608 571195752 /nfs/dbraw/zinc/19/57/52/571195752.db2.gz FSKNBIVROHBTKA-UHFFFAOYSA-N 1 2 406.530 2.957 50 0 HFAALO COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000040149579 571196868 /nfs/dbraw/zinc/19/68/68/571196868.db2.gz RBCIWASZDXJZTH-AWEZNQCLSA-N 1 2 416.503 2.527 50 0 HFAALO COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000040149579 571196869 /nfs/dbraw/zinc/19/68/69/571196869.db2.gz RBCIWASZDXJZTH-AWEZNQCLSA-N 1 2 416.503 2.527 50 0 HFAALO Cc1[nH]ccc(=O)c1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000040266943 571213694 /nfs/dbraw/zinc/21/36/94/571213694.db2.gz HRXHJNPRUDQRHM-UHFFFAOYSA-N 1 2 417.509 2.996 50 0 HFAALO O=C(CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)NCCCn1cc[nH+]c1 ZINC000009187719 571235169 /nfs/dbraw/zinc/23/51/69/571235169.db2.gz YWMSPMIXCWDLHN-FOWTUZBSSA-N 1 2 402.451 2.655 50 0 HFAALO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1C ZINC000009526891 571266142 /nfs/dbraw/zinc/26/61/42/571266142.db2.gz QETJYKAXAQNUDV-UHFFFAOYSA-N 1 2 408.477 2.792 50 0 biogenic HFAALO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000009604642 571273225 /nfs/dbraw/zinc/27/32/25/571273225.db2.gz IGCKGXJTCXXGPN-OAHLLOKOSA-N 1 2 422.485 2.765 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000010393171 571301983 /nfs/dbraw/zinc/30/19/83/571301983.db2.gz ZISQEKIMUXILEF-QGZVFWFLSA-N 1 2 418.906 2.964 50 0 HFAALO O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000034676540 571316381 /nfs/dbraw/zinc/31/63/81/571316381.db2.gz TZGLOFQRNPNEQM-SFHVURJKSA-N 1 2 421.513 2.940 50 0 HFAALO CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000002269750 132251013 /nfs/dbraw/zinc/25/10/13/132251013.db2.gz WRBHCTXRLNXKCI-UHFFFAOYSA-N 1 2 402.514 2.688 50 0 HFAALO CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccc4)CC3)=[NH+]2)cc1 ZINC000004914763 132294061 /nfs/dbraw/zinc/29/40/61/132294061.db2.gz OTGMDICZHFNEHV-OAQYLSRUSA-N 1 2 419.529 2.815 50 0 HFAALO O=C1C[C@H](c2ccccc2O)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000004992932 132297835 /nfs/dbraw/zinc/29/78/35/132297835.db2.gz ATUOEFCRKWFVLL-MRXNPFEDSA-N 1 2 401.470 2.817 50 0 HFAALO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)Oc2ccccc21 ZINC000008133034 132327728 /nfs/dbraw/zinc/32/77/28/132327728.db2.gz INFDFQJNAWQNIT-GOSISDBHSA-N 1 2 422.529 2.737 50 0 HFAALO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)Oc2ccccc21 ZINC000008133034 132327729 /nfs/dbraw/zinc/32/77/29/132327729.db2.gz INFDFQJNAWQNIT-GOSISDBHSA-N 1 2 422.529 2.737 50 0 HFAALO CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCCn1cc[nH+]c1 ZINC000010006604 132344628 /nfs/dbraw/zinc/34/46/28/132344628.db2.gz KDWJFHIHRIWMJA-UHFFFAOYSA-N 1 2 424.526 2.828 50 0 HFAALO CCOc1ccccc1N1CC[NH+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000026465848 132489478 /nfs/dbraw/zinc/48/94/78/132489478.db2.gz LKVPIULRVRORDN-GOSISDBHSA-N 1 2 410.518 2.622 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1C ZINC000032541802 520511249 /nfs/dbraw/zinc/51/12/49/520511249.db2.gz FZJOWZQIOQCURN-RHSMWYFYSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)NC(=O)N[C@@H]1C ZINC000032541802 520511259 /nfs/dbraw/zinc/51/12/59/520511259.db2.gz FZJOWZQIOQCURN-RHSMWYFYSA-N 1 2 415.490 2.503 50 0 HFAALO C[N@@H+](Cc1ccc(Br)cc1)Cn1nc(C2CC2)n(CC(N)=O)c1=S ZINC000032916195 523200304 /nfs/dbraw/zinc/20/03/04/523200304.db2.gz TUITTWNWADQZMY-UHFFFAOYSA-N 1 2 410.341 2.629 50 0 HFAALO C[N@H+](Cc1ccc(Br)cc1)Cn1nc(C2CC2)n(CC(N)=O)c1=S ZINC000032916195 523200319 /nfs/dbraw/zinc/20/03/19/523200319.db2.gz TUITTWNWADQZMY-UHFFFAOYSA-N 1 2 410.341 2.629 50 0 HFAALO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(C)=O)c1 ZINC000043741455 524842786 /nfs/dbraw/zinc/84/27/86/524842786.db2.gz MYAGCLQIUTYAEN-MBDNFAEBSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(C)=O)c1 ZINC000043741455 524842793 /nfs/dbraw/zinc/84/27/93/524842793.db2.gz MYAGCLQIUTYAEN-MBDNFAEBSA-N 1 2 418.449 2.808 50 0 biogenic HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000023805245 525757804 /nfs/dbraw/zinc/75/78/04/525757804.db2.gz PAADDODWMPGSLW-HSZRJFAPSA-N 1 2 421.541 2.854 50 0 HFAALO CSc1ncc(Cl)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)n1 ZINC000032930489 526220862 /nfs/dbraw/zinc/22/08/62/526220862.db2.gz ZNFQBHTYDQUPMQ-TXEJJXNPSA-N 1 2 407.927 2.791 50 0 HFAALO O=C(CCC(=O)N1CCOCC1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960739 526381300 /nfs/dbraw/zinc/38/13/00/526381300.db2.gz LVAUBUWIGLUMMH-UHFFFAOYSA-N 1 2 406.486 2.926 50 0 HFAALO Cc1noc(-c2ccc(C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc2)n1 ZINC000032909709 526450573 /nfs/dbraw/zinc/45/05/73/526450573.db2.gz BCEMLMSZKLEGPD-UHFFFAOYSA-N 1 2 419.485 2.878 50 0 HFAALO O=C(C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)NCCc1ccc(F)cc1 ZINC000032894961 526820865 /nfs/dbraw/zinc/82/08/65/526820865.db2.gz FAWUQSYIKULJDL-JOCHJYFZSA-N 1 2 409.505 2.534 50 0 HFAALO O=C(C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1)NCCc1ccc(F)cc1 ZINC000032894961 526820872 /nfs/dbraw/zinc/82/08/72/526820872.db2.gz FAWUQSYIKULJDL-JOCHJYFZSA-N 1 2 409.505 2.534 50 0 HFAALO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(O)cc2)N1CCC[NH+]1CCOCC1 ZINC000032622073 527138108 /nfs/dbraw/zinc/13/81/08/527138108.db2.gz UFPPKNZRZGOEPZ-OAQYLSRUSA-N 1 2 420.465 2.766 50 0 HFAALO O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000040104867 527169711 /nfs/dbraw/zinc/16/97/11/527169711.db2.gz BDMWCVGLQNBYID-UHFFFAOYSA-N 1 2 412.515 2.747 50 0 HFAALO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000032932884 527280737 /nfs/dbraw/zinc/28/07/37/527280737.db2.gz LFDPAIPXTSBQGA-UHFFFAOYSA-N 1 2 420.556 2.556 50 0 HFAALO O=C(Cn1c2ccccc2nc1-c1cscn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023968006 527360183 /nfs/dbraw/zinc/36/01/83/527360183.db2.gz REUYCWOWBYIZMJ-UHFFFAOYSA-N 1 2 418.526 2.899 50 0 HFAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C)s1)C[N@@H+](C)CC2 ZINC000002890275 557423534 /nfs/dbraw/zinc/42/35/34/557423534.db2.gz AFKBJYYIXJBBNK-UHFFFAOYSA-N 1 2 412.562 2.803 50 0 HFAALO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C)s1)C[N@H+](C)CC2 ZINC000002890275 557423536 /nfs/dbraw/zinc/42/35/36/557423536.db2.gz AFKBJYYIXJBBNK-UHFFFAOYSA-N 1 2 412.562 2.803 50 0 HFAALO CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CC[NH+](C(C)C)CC3)c(=O)[nH]2)c1 ZINC000034764505 557461453 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QEHOFQXTFDTUMP-GOSISDBHSA-N 1 2 404.474 2.919 50 0 HFAALO C[NH+]1CCN(C(=O)CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)CC1 ZINC000016189077 558777012 /nfs/dbraw/zinc/77/70/12/558777012.db2.gz DHSDIJRENXAAJY-UHFFFAOYSA-N 1 2 413.421 2.848 50 0 HFAALO Cc1ccc2nsnc2c1S(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000035085432 558788274 /nfs/dbraw/zinc/78/82/74/558788274.db2.gz ZPFBYGRJPVUUAO-UHFFFAOYSA-N 1 2 402.545 2.549 50 0 HFAALO O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530943 558812462 /nfs/dbraw/zinc/81/24/62/558812462.db2.gz LEDLBSCLNXTWLZ-UHFFFAOYSA-N 1 2 421.954 2.631 50 0 HFAALO O=S(=O)(c1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530943 558812464 /nfs/dbraw/zinc/81/24/64/558812464.db2.gz LEDLBSCLNXTWLZ-UHFFFAOYSA-N 1 2 421.954 2.631 50 0 HFAALO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC[NH+]4CCOCC4)c3n2)cc1 ZINC000019212159 558848797 /nfs/dbraw/zinc/84/87/97/558848797.db2.gz VPLICYDOWPLIOQ-UHFFFAOYSA-N 1 2 415.444 2.704 50 0 HFAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000046343574 558858096 /nfs/dbraw/zinc/85/80/96/558858096.db2.gz OCALPVPVPNRYRU-LJQANCHMSA-N 1 2 415.486 2.713 50 0 HFAALO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000046343574 558858099 /nfs/dbraw/zinc/85/80/99/558858099.db2.gz OCALPVPVPNRYRU-LJQANCHMSA-N 1 2 415.486 2.713 50 0 HFAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)CC1 ZINC000055042290 558870704 /nfs/dbraw/zinc/87/07/04/558870704.db2.gz HEKRIJMGGPLBEH-KRWDZBQOSA-N 1 2 402.470 2.686 50 0 HFAALO O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000058151775 558902532 /nfs/dbraw/zinc/90/25/32/558902532.db2.gz ZRMTXESZVCCSCS-SJLPKXTDSA-N 1 2 402.520 2.564 50 0 HFAALO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058161297 558905559 /nfs/dbraw/zinc/90/55/59/558905559.db2.gz FIELSLGMFBMXBK-HNNXBMFYSA-N 1 2 401.894 2.896 50 0 HFAALO COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1CNc1nc[nH+]c(C)c1C ZINC000071712294 558907148 /nfs/dbraw/zinc/90/71/48/558907148.db2.gz HZRDRJQSFOPIID-UHFFFAOYSA-N 1 2 404.474 2.703 50 0 HFAALO CCOc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000060377272 558942499 /nfs/dbraw/zinc/94/24/99/558942499.db2.gz HOEPCOLNCWZQNL-AWEZNQCLSA-N 1 2 416.503 2.976 50 0 HFAALO CCOc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000060377272 558942501 /nfs/dbraw/zinc/94/25/01/558942501.db2.gz HOEPCOLNCWZQNL-AWEZNQCLSA-N 1 2 416.503 2.976 50 0 HFAALO Cc1cc(=O)c(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c[nH]1 ZINC000072402634 558954460 /nfs/dbraw/zinc/95/44/60/558954460.db2.gz BXDWBTUEVBNAJA-UHFFFAOYSA-N 1 2 417.509 2.996 50 0 HFAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000019670421 558956673 /nfs/dbraw/zinc/95/66/73/558956673.db2.gz RREFYHWUHMCPOA-AWEZNQCLSA-N 1 2 413.349 2.560 50 0 HFAALO O=C(NCc1ccco1)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072403096 558958547 /nfs/dbraw/zinc/95/85/47/558958547.db2.gz RDZWKQPKFXTGOH-UHFFFAOYSA-N 1 2 405.458 2.959 50 0 HFAALO COc1coc(C[NH+]2CCC3(CN(CCOc4ccccc4)C(=O)O3)CC2)cc1=O ZINC000077540084 559008988 /nfs/dbraw/zinc/00/89/88/559008988.db2.gz JHHKSNVDYILDOP-UHFFFAOYSA-N 1 2 414.458 2.514 50 0 HFAALO COC(=O)C1CC[NH+]([C@H](c2ccc(OC)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023157267 559022237 /nfs/dbraw/zinc/02/22/37/559022237.db2.gz VXLYNYFRSVQFLK-MRXNPFEDSA-N 1 2 416.503 2.788 50 0 HFAALO COC(=O)C1CC[NH+]([C@@H](c2ccc(OC)cc2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000023157264 559022264 /nfs/dbraw/zinc/02/22/64/559022264.db2.gz VXLYNYFRSVQFLK-INIZCTEOSA-N 1 2 416.503 2.788 50 0 HFAALO O=C(c1ccc(F)cc1F)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095500185 559082117 /nfs/dbraw/zinc/08/21/17/559082117.db2.gz UONXPBPHYAYMCX-NRFANRHFSA-N 1 2 402.445 2.775 50 0 HFAALO O=C(c1ccc(F)cc1F)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095500185 559082118 /nfs/dbraw/zinc/08/21/18/559082118.db2.gz UONXPBPHYAYMCX-NRFANRHFSA-N 1 2 402.445 2.775 50 0 HFAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CNC(=O)/C=C/c1ccccc1 ZINC000072304680 559133572 /nfs/dbraw/zinc/13/35/72/559133572.db2.gz LTPQCVGLVXDEPA-VAWYXSNFSA-N 1 2 406.530 2.976 50 0 HFAALO O=C(NCCn1ncc2c1nc[nH+]c2N1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000011665957 559147444 /nfs/dbraw/zinc/14/74/44/559147444.db2.gz QKQBRBBDCSIOOK-UHFFFAOYSA-N 1 2 404.396 2.875 50 0 HFAALO COc1ccc(N2C(=O)C[C@H](N3CC[NH+](C/C=C\c4ccccc4)CC3)C2=O)cc1 ZINC000100344791 559195845 /nfs/dbraw/zinc/19/58/45/559195845.db2.gz SKRMGAKPBZQYJE-ZQAYIGKJSA-N 1 2 405.498 2.658 50 0 HFAALO CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cn1nnnc1C[NH+]1CCCC1 ZINC000011873504 559264792 /nfs/dbraw/zinc/26/47/92/559264792.db2.gz TXYFIXOXJHNBKU-JOCHJYFZSA-N 1 2 407.522 2.532 50 0 HFAALO C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048131 560774073 /nfs/dbraw/zinc/77/40/73/560774073.db2.gz KAJTUQAMMGGYTF-HNNXBMFYSA-N 1 2 416.478 2.557 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000106920950 560894412 /nfs/dbraw/zinc/89/44/12/560894412.db2.gz FXFKYGRNLVCPAX-PMACEKPBSA-N 1 2 416.518 2.533 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)OC)cc1 ZINC000106920950 560894414 /nfs/dbraw/zinc/89/44/14/560894414.db2.gz FXFKYGRNLVCPAX-PMACEKPBSA-N 1 2 416.518 2.533 50 0 HFAALO CC[N@H+](CCCNC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C)c1ccccc1 ZINC000048276501 568435566 /nfs/dbraw/zinc/43/55/66/568435566.db2.gz DVUFQCIENNDBJG-QFIPXVFZSA-N 1 2 422.533 2.807 50 0 HFAALO CC[N@@H+](CCCNC(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C)c1ccccc1 ZINC000048276501 568435567 /nfs/dbraw/zinc/43/55/67/568435567.db2.gz DVUFQCIENNDBJG-QFIPXVFZSA-N 1 2 422.533 2.807 50 0 HFAALO Cc1nnc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)o2)s1 ZINC000049029006 568445628 /nfs/dbraw/zinc/44/56/28/568445628.db2.gz LKHWFSHQVHRAFF-UHFFFAOYSA-N 1 2 401.477 2.622 50 0 HFAALO COc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)[nH+]cn3)cn2)c(OC)c1 ZINC000049411212 568450028 /nfs/dbraw/zinc/45/00/28/568450028.db2.gz ASVHMVKGDICTFJ-UHFFFAOYSA-N 1 2 408.462 2.922 50 0 HFAALO C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(C[N@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034047 568510595 /nfs/dbraw/zinc/51/05/95/568510595.db2.gz MUNVOJGGQFOYCK-YOEHRIQHSA-N 1 2 407.898 2.978 50 0 HFAALO C[C@H]1CCCC[C@@H]1N1C(=O)C(=O)N(C[N@@H+](C)CCOc2ccc(Cl)cc2)C1=O ZINC000033034047 568510597 /nfs/dbraw/zinc/51/05/97/568510597.db2.gz MUNVOJGGQFOYCK-YOEHRIQHSA-N 1 2 407.898 2.978 50 0 HFAALO CN(Cc1cc2ccccc2o1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000095466913 568624623 /nfs/dbraw/zinc/62/46/23/568624623.db2.gz CXXGEYFYJSZGTR-UHFFFAOYSA-N 1 2 407.474 2.879 50 0 HFAALO Cc1ccc(Cl)cc1-n1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020610517 568637032 /nfs/dbraw/zinc/63/70/32/568637032.db2.gz OHAUJTAZALKERH-LJQANCHMSA-N 1 2 422.872 2.910 50 0 biogenic HFAALO CC(C)Cn1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)n(CC(C)C)c1=O ZINC000020612378 568637416 /nfs/dbraw/zinc/63/74/16/568637416.db2.gz QTGZPFITSJCCAH-HXUWFJFHSA-N 1 2 410.518 2.744 50 0 biogenic HFAALO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000020614557 568637676 /nfs/dbraw/zinc/63/76/76/568637676.db2.gz QASPWXCNGMNHQK-HXUWFJFHSA-N 1 2 411.477 2.944 50 0 HFAALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000020869493 568647524 /nfs/dbraw/zinc/64/75/24/568647524.db2.gz UWMFMJQYJPBHIT-UHFFFAOYSA-N 1 2 406.438 2.788 50 0 HFAALO Cc1nc(N2CCN(S(C)(=O)=O)CC2)c(Cc2ccc(F)cc2)c(C(C)C)[nH+]1 ZINC000096317703 568726937 /nfs/dbraw/zinc/72/69/37/568726937.db2.gz RAOSCFDVCVGMSW-UHFFFAOYSA-N 1 2 406.527 2.720 50 0 HFAALO COc1ccccc1[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000241126183 568730735 /nfs/dbraw/zinc/73/07/35/568730735.db2.gz JKDKHMMBJKMLBJ-OAHLLOKOSA-N 1 2 416.421 2.771 50 0 HFAALO CC[N@H+](CCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12)c1ccccc1 ZINC000096397732 568746268 /nfs/dbraw/zinc/74/62/68/568746268.db2.gz SIRQTQZZWQZXPR-UHFFFAOYSA-N 1 2 404.474 2.526 50 0 HFAALO CC[N@@H+](CCCNC(=O)c1nnn2c1c(=O)[nH]c1cc(C)ccc12)c1ccccc1 ZINC000096397732 568746270 /nfs/dbraw/zinc/74/62/70/568746270.db2.gz SIRQTQZZWQZXPR-UHFFFAOYSA-N 1 2 404.474 2.526 50 0 HFAALO O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029490684 568826807 /nfs/dbraw/zinc/82/68/07/568826807.db2.gz HQLSUCYREYTWBJ-HXUWFJFHSA-N 1 2 400.862 2.717 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccc(Cl)cc1 ZINC000012507809 568839922 /nfs/dbraw/zinc/83/99/22/568839922.db2.gz OXYHIDVOGDGKQY-QGZVFWFLSA-N 1 2 418.284 2.758 50 0 HFAALO Cc1ccc(C(=O)CSc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cn2)cc1C ZINC000012540055 568846861 /nfs/dbraw/zinc/84/68/61/568846861.db2.gz CRDSGAIDISFZFJ-UHFFFAOYSA-N 1 2 419.572 2.610 50 0 HFAALO Cc1cc(=O)c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)nn1-c1ccccc1F ZINC000012547586 568850917 /nfs/dbraw/zinc/85/09/17/568850917.db2.gz KOGQSDLVELJKCR-FQEVSTJZSA-N 1 2 417.444 2.933 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000012560373 568858369 /nfs/dbraw/zinc/85/83/69/568858369.db2.gz YEBCJHBYTRPXEO-GOSISDBHSA-N 1 2 400.841 2.848 50 0 HFAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012602380 568870428 /nfs/dbraw/zinc/87/04/28/568870428.db2.gz IODINJBKJXDIFV-OAHLLOKOSA-N 1 2 415.515 2.728 50 0 HFAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012602380 568870429 /nfs/dbraw/zinc/87/04/29/568870429.db2.gz IODINJBKJXDIFV-OAHLLOKOSA-N 1 2 415.515 2.728 50 0 HFAALO Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2c[nH+]c[nH]2)c2ccccc21 ZINC000263585370 568878542 /nfs/dbraw/zinc/87/85/42/568878542.db2.gz HWPHIYKOZUVGOQ-SFHVURJKSA-N 1 2 411.506 2.696 50 0 biogenic HFAALO Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc2c[nH]c[nH+]2)c2ccccc21 ZINC000263585370 568878544 /nfs/dbraw/zinc/87/85/44/568878544.db2.gz HWPHIYKOZUVGOQ-SFHVURJKSA-N 1 2 411.506 2.696 50 0 biogenic HFAALO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)c(OC)c1 ZINC000025797249 568915123 /nfs/dbraw/zinc/91/51/23/568915123.db2.gz WHVNARFEZAVPJT-UHFFFAOYSA-N 1 2 417.481 2.608 50 0 HFAALO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000012737177 568925254 /nfs/dbraw/zinc/92/52/54/568925254.db2.gz NJOFXWCSOUQFSS-UHFFFAOYSA-N 1 2 403.885 2.943 50 0 HFAALO Cc1cc(N2CCN(C(=O)CCCNC(=O)c3ccsc3)CC2)nc(C(C)C)[nH+]1 ZINC000031493898 568926897 /nfs/dbraw/zinc/92/68/97/568926897.db2.gz PBJZAOFJWRSTSC-UHFFFAOYSA-N 1 2 415.563 2.829 50 0 HFAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@]4(C)CCS(=O)(=O)C4)cc3)cn2c1 ZINC000012769840 568950735 /nfs/dbraw/zinc/95/07/35/568950735.db2.gz LNLDCLVDJXRYDT-OAQYLSRUSA-N 1 2 413.499 2.529 50 0 HFAALO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000012807630 568980294 /nfs/dbraw/zinc/98/02/94/568980294.db2.gz PEGWAIKBAOGEER-HNNXBMFYSA-N 1 2 407.561 2.826 50 0 HFAALO CC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000012898952 569020471 /nfs/dbraw/zinc/02/04/71/569020471.db2.gz QHECSFUCXPSZBJ-UHFFFAOYSA-N 1 2 402.516 2.965 50 0 HFAALO C[N@H+](CC(=O)N1CCCC1)CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012911137 569021936 /nfs/dbraw/zinc/02/19/36/569021936.db2.gz IQDHWKVPLWHDPI-INIZCTEOSA-N 1 2 400.548 2.557 50 0 HFAALO C[N@@H+](CC(=O)N1CCCC1)CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012911137 569021937 /nfs/dbraw/zinc/02/19/37/569021937.db2.gz IQDHWKVPLWHDPI-INIZCTEOSA-N 1 2 400.548 2.557 50 0 HFAALO O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000575610145 569032293 /nfs/dbraw/zinc/03/22/93/569032293.db2.gz TYJGRYYUFPALFN-UHFFFAOYSA-N 1 2 406.343 2.895 50 0 HFAALO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@H]1CC ZINC000035601118 569046276 /nfs/dbraw/zinc/04/62/76/569046276.db2.gz HQXXKCOKIKHIKM-DOTOQJQBSA-N 1 2 415.490 2.503 50 0 HFAALO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)NC(=O)N[C@H]1CC ZINC000035601118 569046277 /nfs/dbraw/zinc/04/62/77/569046277.db2.gz HQXXKCOKIKHIKM-DOTOQJQBSA-N 1 2 415.490 2.503 50 0 HFAALO COc1ccc([C@H](NC(=O)CCCNC(=O)c2ccsc2)c2[nH+]ccn2C)cc1 ZINC000016475864 569053583 /nfs/dbraw/zinc/05/35/83/569053583.db2.gz VZAKXJUIDQYSBH-IBGZPJMESA-N 1 2 412.515 2.906 50 0 HFAALO C[C@H](C(=O)N1CCCCCC1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000089420140 569060112 /nfs/dbraw/zinc/06/01/12/569060112.db2.gz AGYKNMVHDFIKKK-QGZVFWFLSA-N 1 2 406.958 2.687 50 0 HFAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089520847 569063433 /nfs/dbraw/zinc/06/34/33/569063433.db2.gz HPFAGMXKXVOLGZ-UHFFFAOYSA-N 1 2 420.561 2.757 50 0 HFAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000089520847 569063434 /nfs/dbraw/zinc/06/34/34/569063434.db2.gz HPFAGMXKXVOLGZ-UHFFFAOYSA-N 1 2 420.561 2.757 50 0 HFAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)CCc3ncon3)csc2C1 ZINC000426515449 569073257 /nfs/dbraw/zinc/07/32/57/569073257.db2.gz BHXOXXVMJYIGNP-UHFFFAOYSA-N 1 2 401.492 2.609 50 0 HFAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)CCc3ncon3)csc2C1 ZINC000426515449 569073258 /nfs/dbraw/zinc/07/32/58/569073258.db2.gz BHXOXXVMJYIGNP-UHFFFAOYSA-N 1 2 401.492 2.609 50 0 HFAALO CCc1nnc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)o1 ZINC000426550352 569073355 /nfs/dbraw/zinc/07/33/55/569073355.db2.gz DQIXRGJYCSOHJR-UHFFFAOYSA-N 1 2 401.492 2.787 50 0 HFAALO CCc1nnc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)o1 ZINC000426550352 569073356 /nfs/dbraw/zinc/07/33/56/569073356.db2.gz DQIXRGJYCSOHJR-UHFFFAOYSA-N 1 2 401.492 2.787 50 0 HFAALO CC[C@H](C)N1C(=O)[C@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024498 569077634 /nfs/dbraw/zinc/07/76/34/569077634.db2.gz JUYSGSSGCXUYSD-HKUYNNGSSA-N 1 2 407.580 2.731 50 0 HFAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(CC)C1=O ZINC000036029099 569078229 /nfs/dbraw/zinc/07/82/29/569078229.db2.gz QKCNVCCZJQJUMS-YOEHRIQHSA-N 1 2 413.971 2.687 50 0 HFAALO O=C(NCc1ccccn1)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000036253431 569119708 /nfs/dbraw/zinc/11/97/08/569119708.db2.gz YYCNSMPTZYNOMC-JOCHJYFZSA-N 1 2 424.520 2.854 50 0 HFAALO CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000036253165 569119839 /nfs/dbraw/zinc/11/98/39/569119839.db2.gz XZIFNJQEHAITOM-NRFANRHFSA-N 1 2 417.550 2.547 50 0 HFAALO CNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036256644 569120299 /nfs/dbraw/zinc/12/02/99/569120299.db2.gz NWXKNGMDXSOKKE-QGZVFWFLSA-N 1 2 408.340 2.512 50 0 HFAALO O=S(=O)(c1cccc2nsnc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000036372398 569154131 /nfs/dbraw/zinc/15/41/31/569154131.db2.gz PVIJATJBOZEYAB-YVMONPNESA-N 1 2 400.529 2.711 50 0 HFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)CC3 ZINC000065034966 569158563 /nfs/dbraw/zinc/15/85/63/569158563.db2.gz XHKOHWPTFPHHPJ-UHFFFAOYSA-N 1 2 405.454 2.870 50 0 HFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)CC3 ZINC000065034966 569158564 /nfs/dbraw/zinc/15/85/64/569158564.db2.gz XHKOHWPTFPHHPJ-UHFFFAOYSA-N 1 2 405.454 2.870 50 0 HFAALO COc1cccc(CNC(=O)Cn2cc[nH+]c2-c2ccnc(N3CCSCC3)c2)c1 ZINC000065220581 569198100 /nfs/dbraw/zinc/19/81/00/569198100.db2.gz MKIJIXDLEKFUHB-UHFFFAOYSA-N 1 2 423.542 2.823 50 0 HFAALO CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCSCC4)[nH+]cn3)cn2)cc1 ZINC000065239981 569203576 /nfs/dbraw/zinc/20/35/76/569203576.db2.gz NVWHTBYIQSODGA-UHFFFAOYSA-N 1 2 410.503 2.867 50 0 HFAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000036614686 569206764 /nfs/dbraw/zinc/20/67/64/569206764.db2.gz WMFFGJURFMFLJI-UHFFFAOYSA-N 1 2 413.543 2.628 50 0 HFAALO O=C(c1c2c(sc1-n1cnnn1)CCC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000524732870 569212865 /nfs/dbraw/zinc/21/28/65/569212865.db2.gz VYORIPCUQCLKKG-VMPITWQZSA-N 1 2 420.542 2.684 50 0 HFAALO COCCN=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)Nc1cccc(OC)c1)C2 ZINC000065265822 569213086 /nfs/dbraw/zinc/21/30/86/569213086.db2.gz NFOOBQHVNYPBAZ-QHCPKHFHSA-N 1 2 423.517 2.741 50 0 HFAALO O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065274471 569215137 /nfs/dbraw/zinc/21/51/37/569215137.db2.gz QAUNPANULIYVJZ-UHFFFAOYSA-N 1 2 402.433 2.893 50 0 HFAALO O=C(c1ccc(Cl)cc1-n1cnnn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000071287865 569252428 /nfs/dbraw/zinc/25/24/28/569252428.db2.gz RZFZBQKZXAZYRP-QPJJXVBHSA-N 1 2 408.893 2.787 50 0 HFAALO Cc1cnn(Cc2cc(C(=O)NCc3[nH+]ccn3CCCc3ccccc3)no2)c1 ZINC000089702517 569262752 /nfs/dbraw/zinc/26/27/52/569262752.db2.gz HSWAJWZTAWUYTK-UHFFFAOYSA-N 1 2 404.474 2.987 50 0 HFAALO C[C@@H](NC(=O)CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000089905532 569268313 /nfs/dbraw/zinc/26/83/13/569268313.db2.gz NHINJRVHATVUQQ-GOSISDBHSA-N 1 2 423.513 2.717 50 0 HFAALO COc1c2c(cc3c1[C@H](C1C(=O)OC4(CCCCC4)OC1=O)[N@H+](C)CC3)OCO2 ZINC000002115874 569284626 /nfs/dbraw/zinc/28/46/26/569284626.db2.gz ZUWKBIMHOKVGNF-MRXNPFEDSA-N 1 2 403.431 2.956 50 0 biogenic HFAALO COc1c2c(cc3c1[C@H](C1C(=O)OC4(CCCCC4)OC1=O)[N@@H+](C)CC3)OCO2 ZINC000002115874 569284627 /nfs/dbraw/zinc/28/46/27/569284627.db2.gz ZUWKBIMHOKVGNF-MRXNPFEDSA-N 1 2 403.431 2.956 50 0 biogenic HFAALO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCc3ccccc3C2)ccc1Cl ZINC000007736873 569305043 /nfs/dbraw/zinc/30/50/43/569305043.db2.gz IYKBWZDMXJONPQ-UHFFFAOYSA-N 1 2 407.923 2.587 50 0 HFAALO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000007736873 569305044 /nfs/dbraw/zinc/30/50/44/569305044.db2.gz IYKBWZDMXJONPQ-UHFFFAOYSA-N 1 2 407.923 2.587 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253401405 569365713 /nfs/dbraw/zinc/36/57/13/569365713.db2.gz MVCYUWUKNRMIPZ-INIZCTEOSA-N 1 2 423.922 2.786 50 0 HFAALO NC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000002452729 569405365 /nfs/dbraw/zinc/40/53/65/569405365.db2.gz BQPIOBZDBAFWSK-UHFFFAOYSA-N 1 2 404.455 2.645 50 0 HFAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](CCn4c(C)ccc4C)CC3)n[nH]2)cc1 ZINC000013366607 569412178 /nfs/dbraw/zinc/41/21/78/569412178.db2.gz OUPGGOAMJKIIIH-UHFFFAOYSA-N 1 2 407.518 2.962 50 0 HFAALO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)cc1 ZINC000078729251 569420005 /nfs/dbraw/zinc/42/00/05/569420005.db2.gz PSBISEZHUYSNHR-FQEVSTJZSA-N 1 2 421.607 2.682 50 0 HFAALO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC3CCCCC3)C2)cc1 ZINC000078729251 569420007 /nfs/dbraw/zinc/42/00/07/569420007.db2.gz PSBISEZHUYSNHR-FQEVSTJZSA-N 1 2 421.607 2.682 50 0 HFAALO CCOC(=O)C1C(C[NH+]2CCSCC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286953 571065208 /nfs/dbraw/zinc/06/52/08/571065208.db2.gz NFAOBQMOJFJXOD-KRWDZBQOSA-N 1 2 407.561 2.628 50 0 HFAALO CCOC(=O)C1=C(C[NH+]2CCSCC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286953 571065210 /nfs/dbraw/zinc/06/52/10/571065210.db2.gz NFAOBQMOJFJXOD-KRWDZBQOSA-N 1 2 407.561 2.628 50 0 HFAALO COc1ccccc1[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1[nH+]ccn1C ZINC000040071237 571152032 /nfs/dbraw/zinc/15/20/32/571152032.db2.gz QSFLKTOPPXEXIH-QRWLVFNGSA-N 1 2 408.458 2.657 50 0 HFAALO Cn1ccnc1COc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000040119545 571175595 /nfs/dbraw/zinc/17/55/95/571175595.db2.gz CWDHJUQQTMTXEE-UHFFFAOYSA-N 1 2 420.513 2.836 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cc(-c4cccnc4)on3)CC2)cc1 ZINC000040130628 571182663 /nfs/dbraw/zinc/18/26/63/571182663.db2.gz QJETZPRNZISHCC-UHFFFAOYSA-N 1 2 408.458 2.582 50 0 HFAALO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1nc(N2CCCC2)ncc1Cl ZINC000040153326 571200889 /nfs/dbraw/zinc/20/08/89/571200889.db2.gz FFOWSJVFCIAEEQ-UHFFFAOYSA-N 1 2 410.909 2.948 50 0 HFAALO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000040154187 571201413 /nfs/dbraw/zinc/20/14/13/571201413.db2.gz MZCPHVXEZGAVLO-HNNXBMFYSA-N 1 2 416.501 2.789 50 0 HFAALO O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000040154574 571201755 /nfs/dbraw/zinc/20/17/55/571201755.db2.gz AHWBKCSJUDMBKY-UHFFFAOYSA-N 1 2 408.437 2.833 50 0 HFAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000009479171 571261937 /nfs/dbraw/zinc/26/19/37/571261937.db2.gz YICPQKIIZVIGNG-UHFFFAOYSA-N 1 2 418.482 2.954 50 0 HFAALO O=C(C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2)Nc1ccc(Cl)cc1 ZINC000009526818 571265866 /nfs/dbraw/zinc/26/58/66/571265866.db2.gz MQZGJNWKLOGWIF-UHFFFAOYSA-N 1 2 414.868 2.829 50 0 HFAALO COc1ccc([C@@H](NC(=O)CCc2nc(-c3ccncc3)no2)c2[nH+]ccn2C)cc1 ZINC000010322925 571300233 /nfs/dbraw/zinc/30/02/33/571300233.db2.gz UFCSATDNYTTXBW-HXUWFJFHSA-N 1 2 418.457 2.712 50 0 HFAALO Clc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)cc1 ZINC000021040003 571314797 /nfs/dbraw/zinc/31/47/97/571314797.db2.gz FPRJAXYWHMYEOK-UHFFFAOYSA-N 1 2 421.936 2.805 50 0 HFAALO Clc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)cc1 ZINC000021040003 571314798 /nfs/dbraw/zinc/31/47/98/571314798.db2.gz FPRJAXYWHMYEOK-UHFFFAOYSA-N 1 2 421.936 2.805 50 0 HFAALO COc1ccc(CCN2C(=O)C[C@@H]([NH+]3CCN(c4cccc(C)c4C)CC3)C2=O)cc1 ZINC000003324411 132264602 /nfs/dbraw/zinc/26/46/02/132264602.db2.gz LOHHVUOPUKSSGZ-HSZRJFAPSA-N 1 2 421.541 2.804 50 0 HFAALO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000008940414 132334199 /nfs/dbraw/zinc/33/41/99/132334199.db2.gz DJYJFYVKFBRPHT-QGZVFWFLSA-N 1 2 403.486 2.737 50 0 HFAALO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000008940414 132334201 /nfs/dbraw/zinc/33/42/01/132334201.db2.gz DJYJFYVKFBRPHT-QGZVFWFLSA-N 1 2 403.486 2.737 50 0 HFAALO O=S(=O)(Cc1ccccc1Cl)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000011900709 132351755 /nfs/dbraw/zinc/35/17/55/132351755.db2.gz PECSXLGBGCCWRP-UHFFFAOYSA-N 1 2 411.930 2.721 50 0 HFAALO Cc1cc(C)nc(N2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)n1 ZINC000012111664 132354120 /nfs/dbraw/zinc/35/41/20/132354120.db2.gz HQHRQFCHYPIZHR-HXUWFJFHSA-N 1 2 408.550 2.834 50 0 HFAALO O=C(C1=CCCCC1)N1CCC2(C[C@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000012245795 132357797 /nfs/dbraw/zinc/35/77/97/132357797.db2.gz PXTRIRMRLSHLAX-FQEVSTJZSA-N 1 2 408.546 2.859 50 0 HFAALO Cc1cc(N)nc(S[C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)[nH+]1 ZINC000012633690 132365532 /nfs/dbraw/zinc/36/55/32/132365532.db2.gz UIQPLCFOMAUEBN-VIFPVBQESA-N 1 2 411.409 2.852 50 0 HFAALO O=S(=O)(NCc1ccc(N2CCOCC2)[nH+]c1)c1c(Cl)cccc1Cl ZINC000012783900 132367200 /nfs/dbraw/zinc/36/72/00/132367200.db2.gz GCANTURVKFQFHB-UHFFFAOYSA-N 1 2 402.303 2.704 50 0 HFAALO Cc1cc(C)c(NC(=O)CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c(C)c1 ZINC000032802681 524280313 /nfs/dbraw/zinc/28/03/13/524280313.db2.gz MXGAVFCHCLCSPI-UHFFFAOYSA-N 1 2 406.490 2.973 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NC[C@H](c3ccccc3)[NH+]3CCOCC3)c(C)n2n1 ZINC000030701646 525669705 /nfs/dbraw/zinc/66/97/05/525669705.db2.gz CZLYTIKUAHYMHM-JOCHJYFZSA-N 1 2 421.545 2.777 50 0 HFAALO Cc1cc(=O)c(C(=O)NCc2cccnc2-n2cc[nH+]c2)nn1-c1ccccc1Cl ZINC000032778145 526131467 /nfs/dbraw/zinc/13/14/67/526131467.db2.gz BIQMUMKMMVLBSD-UHFFFAOYSA-N 1 2 420.860 2.705 50 0 HFAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000065365903 526649457 /nfs/dbraw/zinc/64/94/57/526649457.db2.gz JJVNHJLQWPQMJX-UHFFFAOYSA-N 1 2 410.499 2.587 50 0 HFAALO O=C(NCc1ccc(Cn2cccn2)cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000032802192 526666121 /nfs/dbraw/zinc/66/61/21/526666121.db2.gz MMHBLJLGQTYSSS-HSZRJFAPSA-N 1 2 419.529 2.804 50 0 HFAALO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(C2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000034675339 557363329 /nfs/dbraw/zinc/36/33/29/557363329.db2.gz NHDKXAJNLUELOG-UHFFFAOYSA-N 1 2 424.520 2.937 50 0 HFAALO CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000034675468 557363553 /nfs/dbraw/zinc/36/35/53/557363553.db2.gz BXLSQFQAIQIEEE-UHFFFAOYSA-N 1 2 423.557 2.929 50 0 HFAALO COc1ccc(NC2=[NH+][C@@H](C(=O)Nc3cc(Cl)ccc3OC)C=C(O)N2)cc1 ZINC000009190769 557827068 /nfs/dbraw/zinc/82/70/68/557827068.db2.gz OADURVUUNVEPMS-OAHLLOKOSA-N 1 2 402.838 2.652 50 0 HFAALO C[C@@H](NC(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812234 557829295 /nfs/dbraw/zinc/82/92/95/557829295.db2.gz HNPCLJKLZUEGEL-LJQANCHMSA-N 1 2 424.589 2.939 50 0 HFAALO C[C@@H](NC(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812234 557829297 /nfs/dbraw/zinc/82/92/97/557829297.db2.gz HNPCLJKLZUEGEL-LJQANCHMSA-N 1 2 424.589 2.939 50 0 HFAALO C[C@@H](NC(=O)C[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812234 557829300 /nfs/dbraw/zinc/82/93/00/557829300.db2.gz HNPCLJKLZUEGEL-LJQANCHMSA-N 1 2 424.589 2.939 50 0 HFAALO C[C@@H](NC(=O)C[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc21 ZINC000022812234 557829302 /nfs/dbraw/zinc/82/93/02/557829302.db2.gz HNPCLJKLZUEGEL-LJQANCHMSA-N 1 2 424.589 2.939 50 0 HFAALO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccc3ncccc23)cc1 ZINC000011813116 558277778 /nfs/dbraw/zinc/27/77/78/558277778.db2.gz VIABDZDWNHTFLW-HSZRJFAPSA-N 1 2 416.525 2.892 50 0 HFAALO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N(C)Cc2cccc3ncccc23)cc1 ZINC000011813116 558277781 /nfs/dbraw/zinc/27/77/81/558277781.db2.gz VIABDZDWNHTFLW-HSZRJFAPSA-N 1 2 416.525 2.892 50 0 HFAALO 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558310202 /nfs/dbraw/zinc/31/02/02/558310202.db2.gz MRMJNDDPKYGCPB-KRWDZBQOSA-N 1 2 406.486 2.780 50 0 HFAALO O=C(NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000020064578 558330408 /nfs/dbraw/zinc/33/04/08/558330408.db2.gz VAPNKGUWTOFGPK-UHFFFAOYSA-N 1 2 417.918 2.901 50 0 HFAALO Cc1nonc1C[NH2+]Cc1cc2cc3c(cc2n(Cc2ccccn2)c1=O)CCC3 ZINC000012151659 558339017 /nfs/dbraw/zinc/33/90/17/558339017.db2.gz VSNXHFZHVGKQKR-UHFFFAOYSA-N 1 2 401.470 2.915 50 0 HFAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012201146 558351483 /nfs/dbraw/zinc/35/14/83/558351483.db2.gz FXIVLUMFRMGFMM-HNNXBMFYSA-N 1 2 401.463 2.699 50 0 HFAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000012201146 558351484 /nfs/dbraw/zinc/35/14/84/558351484.db2.gz FXIVLUMFRMGFMM-HNNXBMFYSA-N 1 2 401.463 2.699 50 0 HFAALO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020258753 558352284 /nfs/dbraw/zinc/35/22/84/558352284.db2.gz RXIMVKCMLKFBQL-UHFFFAOYSA-N 1 2 417.893 2.834 50 0 HFAALO COCc1c(C(=O)NCCCn2cc[nH+]c2)c(=O)cc(C)n1CC1CCCCC1 ZINC000012246414 558361571 /nfs/dbraw/zinc/36/15/71/558361571.db2.gz RKLHGWKMGSIIGQ-UHFFFAOYSA-N 1 2 400.523 2.900 50 0 HFAALO COc1ccc(N2C[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2=O)cc1 ZINC000020426606 558362089 /nfs/dbraw/zinc/36/20/89/558362089.db2.gz WUPDBXUUQPERLQ-WKOQKXSESA-N 1 2 419.525 2.906 50 0 HFAALO Cc1nc(S(=O)(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cn1C ZINC000020432029 558362671 /nfs/dbraw/zinc/36/26/71/558362671.db2.gz MLUMXKRBSGKSFW-UHFFFAOYSA-N 1 2 408.527 2.805 50 0 HFAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000020450607 558365284 /nfs/dbraw/zinc/36/52/84/558365284.db2.gz JOTRJVXGRKVZBP-ZDUSSCGKSA-N 1 2 401.417 2.699 50 0 HFAALO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000020450607 558365285 /nfs/dbraw/zinc/36/52/85/558365285.db2.gz JOTRJVXGRKVZBP-ZDUSSCGKSA-N 1 2 401.417 2.699 50 0 HFAALO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)c(Cl)c2)cc1 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ANLPVEXUQUGEQT-UHFFFAOYSA-N 1 2 409.490 2.826 50 0 HFAALO Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)N1CC[NH+](C)CC1 ZINC000022591406 558500252 /nfs/dbraw/zinc/50/02/52/558500252.db2.gz HNIVCONXPLZXGL-VXKWHMMOSA-N 1 2 406.486 2.743 50 0 HFAALO CCn1c(C[N@H+](C)Cc2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013040231 558506800 /nfs/dbraw/zinc/50/68/00/558506800.db2.gz ZJTQUFRPHDMCLF-UHFFFAOYSA-N 1 2 416.547 2.947 50 0 HFAALO CCn1c(C[N@@H+](C)Cc2cccc(OC)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000013040231 558506802 /nfs/dbraw/zinc/50/68/02/558506802.db2.gz ZJTQUFRPHDMCLF-UHFFFAOYSA-N 1 2 416.547 2.947 50 0 HFAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1C ZINC000022801014 558513060 /nfs/dbraw/zinc/51/30/60/558513060.db2.gz IJYUOXPMCHEYEH-QGZVFWFLSA-N 1 2 407.518 2.871 50 0 HFAALO CCn1nc(C)c(C[N@@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C ZINC000023358087 558551384 /nfs/dbraw/zinc/55/13/84/558551384.db2.gz DYVCJFZJCBYAHD-NRFANRHFSA-N 1 2 400.567 2.906 50 0 HFAALO CCn1nc(C)c(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)c1C ZINC000023358087 558551386 /nfs/dbraw/zinc/55/13/86/558551386.db2.gz DYVCJFZJCBYAHD-NRFANRHFSA-N 1 2 400.567 2.906 50 0 HFAALO O=C(c1ccc2c(c1)OCCCO2)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000023787147 558575904 /nfs/dbraw/zinc/57/59/04/558575904.db2.gz ZDDGYFQHQKDYAX-UHFFFAOYSA-N 1 2 410.470 2.577 50 0 HFAALO O=C(c1cccc(CN2CCCC2=O)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000023805140 558576545 /nfs/dbraw/zinc/57/65/45/558576545.db2.gz LQHVKRWKKMJURD-UHFFFAOYSA-N 1 2 419.525 2.702 50 0 HFAALO O=C(CNC(=O)Cc1cccc2ccccc21)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023865551 558578379 /nfs/dbraw/zinc/57/83/79/558578379.db2.gz KQFMNWOXLUXNMX-UHFFFAOYSA-N 1 2 417.509 2.969 50 0 HFAALO CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023889352 558580685 /nfs/dbraw/zinc/58/06/85/558580685.db2.gz YWAJPQCATPLNJJ-UHFFFAOYSA-N 1 2 414.487 2.578 50 0 HFAALO O=S(=O)(N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1)N1CCCCCC1 ZINC000024680535 558607380 /nfs/dbraw/zinc/60/73/80/558607380.db2.gz DRTDNBJLPMVNKF-UHFFFAOYSA-N 1 2 406.527 2.612 50 0 HFAALO CCCNC(=O)NC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1Cc1ccccc1 ZINC000004494533 558610152 /nfs/dbraw/zinc/61/01/52/558610152.db2.gz WJYAIIVGVXFMGX-INIZCTEOSA-N 1 2 418.567 2.667 50 0 HFAALO O=S(=O)(c1cccc2nonc21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014239792 558643067 /nfs/dbraw/zinc/64/30/67/558643067.db2.gz MSSZGCPYSAAZKL-UHFFFAOYSA-N 1 2 408.483 2.883 50 0 HFAALO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000014328490 558652740 /nfs/dbraw/zinc/65/27/40/558652740.db2.gz SRVNSBAFRJDJHU-UHFFFAOYSA-N 1 2 411.483 2.622 50 0 HFAALO Cn1ncc2c1nc[nH+]c2SCc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000026120117 558655763 /nfs/dbraw/zinc/65/57/63/558655763.db2.gz RHUXRFRTMNBCGD-UHFFFAOYSA-N 1 2 415.479 2.576 50 0 HFAALO CC(C)C[C@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000026234257 558657491 /nfs/dbraw/zinc/65/74/91/558657491.db2.gz JNFXKFKUSGMOGA-CQSZACIVSA-N 1 2 410.458 2.610 50 0 HFAALO 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/nfs/dbraw/zinc/68/94/62/558689462.db2.gz UCGLGYDDHRKEIC-INIZCTEOSA-N 1 2 401.507 2.893 50 0 HFAALO O=C(NCCCn1cc[nH+]c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000028201840 558692472 /nfs/dbraw/zinc/69/24/72/558692472.db2.gz RRRDJPAEZOSYHB-UHFFFAOYSA-N 1 2 402.451 2.643 50 0 HFAALO COCc1c(C(=O)NCCCn2cc[nH+]c2)c(=O)cc(C)n1CCCc1ccccc1 ZINC000014986473 558692775 /nfs/dbraw/zinc/69/27/75/558692775.db2.gz RVAPFYNJVANOMB-UHFFFAOYSA-N 1 2 422.529 2.953 50 0 HFAALO COCCn1c(C)cc(=O)c(C(=O)NCCCn2cc[nH+]c2)c1CC1CCCC1 ZINC000014995696 558696146 /nfs/dbraw/zinc/69/61/46/558696146.db2.gz MIWYHLRAHIONOF-UHFFFAOYSA-N 1 2 400.523 2.552 50 0 HFAALO COc1ccccc1/C=C/C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(C)cc1 ZINC000015061626 558704771 /nfs/dbraw/zinc/70/47/71/558704771.db2.gz XXWNNHQYDJKODH-IMAOXBOFSA-N 1 2 421.541 2.866 50 0 HFAALO COc1ccccc1/C=C/C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(C)cc1 ZINC000015061626 558704774 /nfs/dbraw/zinc/70/47/74/558704774.db2.gz XXWNNHQYDJKODH-IMAOXBOFSA-N 1 2 421.541 2.866 50 0 HFAALO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000028875305 558706444 /nfs/dbraw/zinc/70/64/44/558706444.db2.gz IJMGTYJOUZNEHQ-WOJBJXKFSA-N 1 2 417.550 2.823 50 0 HFAALO COC(=O)c1cn(CC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c2ccccc12 ZINC000030540354 558732184 /nfs/dbraw/zinc/73/21/84/558732184.db2.gz CNCIDGUHXSGCBZ-NRFANRHFSA-N 1 2 421.497 2.618 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)cc1 ZINC000072305327 558758018 /nfs/dbraw/zinc/75/80/18/558758018.db2.gz FXFKYGRNLVCPAX-VQTJNVASSA-N 1 2 416.518 2.533 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)OC)cc1 ZINC000072305327 558758020 /nfs/dbraw/zinc/75/80/20/558758020.db2.gz FXFKYGRNLVCPAX-VQTJNVASSA-N 1 2 416.518 2.533 50 0 HFAALO Cc1ccc(S(=O)(=O)CC(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)cc1 ZINC000004585299 558775956 /nfs/dbraw/zinc/77/59/56/558775956.db2.gz PQWHLUHOWJBPTC-UHFFFAOYSA-N 1 2 417.556 2.973 50 0 HFAALO O=C([C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638202 558797319 /nfs/dbraw/zinc/79/73/19/558797319.db2.gz HKEAMONBQCFPOT-HNNXBMFYSA-N 1 2 418.419 2.802 50 0 HFAALO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000013543540 558842490 /nfs/dbraw/zinc/84/24/90/558842490.db2.gz FRPREFNWYPHUNH-UHFFFAOYSA-N 1 2 418.607 2.645 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccs1)NCCc1cccc2ccccc21 ZINC000055041912 558870417 /nfs/dbraw/zinc/87/04/17/558870417.db2.gz PNIASGHPYNDAGP-NRFANRHFSA-N 1 2 407.539 2.951 50 0 HFAALO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccs1)NCCc1cccc2ccccc21 ZINC000055041912 558870419 /nfs/dbraw/zinc/87/04/19/558870419.db2.gz PNIASGHPYNDAGP-NRFANRHFSA-N 1 2 407.539 2.951 50 0 HFAALO C[NH+]1CCN(C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)CC1 ZINC000055451992 558881488 /nfs/dbraw/zinc/88/14/88/558881488.db2.gz KQHAJBPLQUJGNY-UHFFFAOYSA-N 1 2 407.371 2.942 50 0 HFAALO CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)o1 ZINC000058033995 558896490 /nfs/dbraw/zinc/89/64/90/558896490.db2.gz AWQOPPHMMNKGFL-GOSISDBHSA-N 1 2 418.515 2.840 50 0 HFAALO O=C1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000019642695 558947781 /nfs/dbraw/zinc/94/77/81/558947781.db2.gz VETVGDMEYSWJDV-LZMFZKJZSA-N 1 2 403.526 2.688 50 0 HFAALO O=C1C[C@H]([NH+]2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CCc1ccccc1 ZINC000019642695 558947782 /nfs/dbraw/zinc/94/77/82/558947782.db2.gz VETVGDMEYSWJDV-LZMFZKJZSA-N 1 2 403.526 2.688 50 0 HFAALO Cc1cccc(NC(=O)CN2CC[NH+]([C@H](C)C(=O)NC3CCCCC3)CC2)c1C ZINC000096833032 558993523 /nfs/dbraw/zinc/99/35/23/558993523.db2.gz TVEVNYILXAMFNZ-LJQANCHMSA-N 1 2 400.567 2.697 50 0 HFAALO COc1cc(Cl)ccc1C(=O)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097125481 558995969 /nfs/dbraw/zinc/99/59/69/558995969.db2.gz FDODFCGXKIYLIF-SFHVURJKSA-N 1 2 405.926 2.507 50 0 HFAALO COc1cc(Cl)ccc1C(=O)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000097125481 558995971 /nfs/dbraw/zinc/99/59/71/558995971.db2.gz FDODFCGXKIYLIF-SFHVURJKSA-N 1 2 405.926 2.507 50 0 HFAALO CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000097165398 558998583 /nfs/dbraw/zinc/99/85/83/558998583.db2.gz NFUZUQLTIKASAB-SFHVURJKSA-N 1 2 417.550 2.782 50 0 HFAALO C[C@H]([NH2+]CC(=O)Nc1ccccc1SCC(N)=O)c1nc2c(s1)CCCC2 ZINC000097165648 558998599 /nfs/dbraw/zinc/99/85/99/558998599.db2.gz YXFCXMUOGQCPNY-LBPRGKRZSA-N 1 2 404.561 2.889 50 0 HFAALO COc1cccc(N2C(=O)C[C@H](N3CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)c1 ZINC000085894236 559057799 /nfs/dbraw/zinc/05/77/99/559057799.db2.gz SRYDPTASCFCRIX-OUZREKFBSA-N 1 2 405.498 2.658 50 0 HFAALO O=C(c1ccc(F)cc1F)N1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000095500184 559082097 /nfs/dbraw/zinc/08/20/97/559082097.db2.gz UONXPBPHYAYMCX-OAQYLSRUSA-N 1 2 402.445 2.775 50 0 HFAALO O=C(c1ccc(F)cc1F)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000095500184 559082098 /nfs/dbraw/zinc/08/20/98/559082098.db2.gz UONXPBPHYAYMCX-OAQYLSRUSA-N 1 2 402.445 2.775 50 0 HFAALO CC(C)(C)[N@@H+]1CCOP1O[C@H]1[C@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000263621526 559166506 /nfs/dbraw/zinc/16/65/06/559166506.db2.gz XXJKJLFIYTWREQ-JCHNYPKWSA-N 1 2 405.428 2.757 50 0 HFAALO CC(C)(C)[N@H+]1CCOP1O[C@H]1[C@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000263621526 559166507 /nfs/dbraw/zinc/16/65/07/559166507.db2.gz XXJKJLFIYTWREQ-JCHNYPKWSA-N 1 2 405.428 2.757 50 0 HFAALO COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000248014257 559259444 /nfs/dbraw/zinc/25/94/44/559259444.db2.gz SHTLINSDPSNVNV-LFGUQSLTSA-N 1 2 410.518 2.870 50 0 HFAALO CC[C@H](NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)C(=O)N(C)C ZINC000426490306 559271789 /nfs/dbraw/zinc/27/17/89/559271789.db2.gz MNRJKSIFAFIVKL-KRWDZBQOSA-N 1 2 404.536 2.508 50 0 HFAALO CC[C@H](NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)C(=O)N(C)C ZINC000426490306 559271790 /nfs/dbraw/zinc/27/17/90/559271790.db2.gz MNRJKSIFAFIVKL-KRWDZBQOSA-N 1 2 404.536 2.508 50 0 HFAALO CCc1[nH+]c(C(C)C)nc(N2CCN(S(C)(=O)=O)CC2)c1Cc1ccccc1F ZINC000096316807 560848786 /nfs/dbraw/zinc/84/87/86/560848786.db2.gz MLKDNOCSXKLDHZ-UHFFFAOYSA-N 1 2 420.554 2.974 50 0 HFAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)[C@H]3CCOC3)CC2)c1Cc1cccc(OC)c1 ZINC000096317570 560848818 /nfs/dbraw/zinc/84/88/18/560848818.db2.gz ZHQDBFXQDYZOEA-IBGZPJMESA-N 1 2 424.545 2.632 50 0 HFAALO CCn1c(C)cc(O)c([C@H](c2ccccn2)[NH+]2CCN(c3ccccn3)CC2)c1=O ZINC000022697423 568415467 /nfs/dbraw/zinc/41/54/67/568415467.db2.gz DJVDRGGTAUVADQ-QFIPXVFZSA-N 1 2 405.502 2.584 50 0 HFAALO O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022907310 568415808 /nfs/dbraw/zinc/41/58/08/568415808.db2.gz SLPCVXQUOAJXJG-OAQYLSRUSA-N 1 2 421.472 2.951 50 0 HFAALO O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022907310 568415810 /nfs/dbraw/zinc/41/58/10/568415810.db2.gz SLPCVXQUOAJXJG-OAQYLSRUSA-N 1 2 421.472 2.951 50 0 HFAALO O[C@@H](C[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000048277458 568435596 /nfs/dbraw/zinc/43/55/96/568435596.db2.gz JBPFTUYFSOYIQL-IBGZPJMESA-N 1 2 404.894 2.799 50 0 HFAALO Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000048323966 568438062 /nfs/dbraw/zinc/43/80/62/568438062.db2.gz AMFMJWXIWSPVOQ-ZDUSSCGKSA-N 1 2 410.565 2.597 50 0 HFAALO Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)s1 ZINC000048323966 568438063 /nfs/dbraw/zinc/43/80/63/568438063.db2.gz AMFMJWXIWSPVOQ-ZDUSSCGKSA-N 1 2 410.565 2.597 50 0 HFAALO COc1ccc(C[NH+]2CCN(Cn3cc(Br)ccc3=O)CC2)cc1F ZINC000024972741 568516437 /nfs/dbraw/zinc/51/64/37/568516437.db2.gz ILBVZHWMDOSSSR-UHFFFAOYSA-N 1 2 410.287 2.534 50 0 HFAALO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cc1OC ZINC000020287793 568597143 /nfs/dbraw/zinc/59/71/43/568597143.db2.gz HXKRCKUYYYXNJY-YWZLYKJASA-N 1 2 403.548 2.872 50 0 HFAALO Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccn1)N(CCC[NH+]1CCOCC1)C3=O ZINC000020308107 568598155 /nfs/dbraw/zinc/59/81/55/568598155.db2.gz LNOGDENLEVDULI-NRFANRHFSA-N 1 2 419.481 2.764 50 0 HFAALO Cc1cc2sc(N3CCC(C(=O)NCC[NH+]4CCOCC4)CC3)nc2c(C)c1 ZINC000020383726 568602796 /nfs/dbraw/zinc/60/27/96/568602796.db2.gz KWDGFOYNBUKISV-UHFFFAOYSA-N 1 2 402.564 2.578 50 0 HFAALO Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N(C)[C@H](C)c3ccccc3)CC2)cc1 ZINC000095381662 568603563 /nfs/dbraw/zinc/60/35/63/568603563.db2.gz BRHFGJFCQPEXBH-HXUWFJFHSA-N 1 2 408.546 2.771 50 0 HFAALO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000095401221 568605006 /nfs/dbraw/zinc/60/50/06/568605006.db2.gz LZTFYFJMPKUABR-SFHVURJKSA-N 1 2 420.985 2.996 50 0 HFAALO Cc1cc(F)ccc1S(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000095454373 568616101 /nfs/dbraw/zinc/61/61/01/568616101.db2.gz QJBVHKSHHVSEGY-UHFFFAOYSA-N 1 2 422.913 2.942 50 0 HFAALO CC[C@@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000040074399 568618034 /nfs/dbraw/zinc/61/80/34/568618034.db2.gz FACBSMYUPYMAIR-NRFANRHFSA-N 1 2 400.544 2.798 50 0 HFAALO CC[C@@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)[N@H+]1CCc2ccccc2C1 ZINC000040074399 568618036 /nfs/dbraw/zinc/61/80/36/568618036.db2.gz FACBSMYUPYMAIR-NRFANRHFSA-N 1 2 400.544 2.798 50 0 HFAALO CCOC(=O)c1cnc2c(c(C)nn2C)c1N1CC[NH+](Cc2csc(C)n2)CC1 ZINC000095467682 568624873 /nfs/dbraw/zinc/62/48/73/568624873.db2.gz FUGSTASMOZMOBF-UHFFFAOYSA-N 1 2 414.535 2.541 50 0 HFAALO Cc1cccc(-n2c(O)c([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)c1C ZINC000020610742 568637192 /nfs/dbraw/zinc/63/71/92/568637192.db2.gz LRUHIBUMFNTJHA-FQEVSTJZSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO Cc1oc2cc3oc(=O)c(CCC(=O)NCC[NH+]4CCOCC4)c(C)c3cc2c1C ZINC000020611927 568637504 /nfs/dbraw/zinc/63/75/04/568637504.db2.gz FHUFRTBXOAPPIN-UHFFFAOYSA-N 1 2 412.486 2.845 50 0 biogenic HFAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)NCc1ccccc1OC(F)(F)F ZINC000095946814 568664730 /nfs/dbraw/zinc/66/47/30/568664730.db2.gz VMSSNYWRVRJPED-UHFFFAOYSA-N 1 2 409.408 2.729 50 0 HFAALO COc1ccc2nc(NC(=O)C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)sc2c1 ZINC000021146857 568671038 /nfs/dbraw/zinc/67/10/38/568671038.db2.gz ONSLYNOCZWIWGM-KGLIPLIRSA-N 1 2 410.499 2.524 50 0 biogenic HFAALO COc1ccc2nc(NC(=O)C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)sc2c1 ZINC000021146857 568671042 /nfs/dbraw/zinc/67/10/42/568671042.db2.gz ONSLYNOCZWIWGM-KGLIPLIRSA-N 1 2 410.499 2.524 50 0 biogenic HFAALO CCn1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(=O)c2cc(Cl)ccc21 ZINC000095993601 568678602 /nfs/dbraw/zinc/67/86/02/568678602.db2.gz ZVUTWJYTTAVDLE-LJQANCHMSA-N 1 2 405.926 2.761 50 0 HFAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)O[C@@]4(CCc5ccccc54)C3=O)c2cc1C ZINC000225835621 568679305 /nfs/dbraw/zinc/67/93/05/568679305.db2.gz AVKXJJPNFZBAAI-UZUQRXQVSA-N 1 2 405.454 2.835 50 0 HFAALO O=C(Cn1nc2c(cc1=O)CCCCC2)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096116669 568696069 /nfs/dbraw/zinc/69/60/69/568696069.db2.gz OIMMTXPLHOUHDI-UHFFFAOYSA-N 1 2 407.518 2.918 50 0 HFAALO O=C(NC[C@@H]1CCCO1)C1CCN(c2cc(-n3ccc4ccccc43)nc[nH+]2)CC1 ZINC000096124029 568700604 /nfs/dbraw/zinc/70/06/04/568700604.db2.gz OSCDUKPMONHRAI-IBGZPJMESA-N 1 2 405.502 2.932 50 0 HFAALO C[C@@H](Oc1ccc(Br)cc1Br)C(=O)N1CC[NH+](C)CC1 ZINC000230510291 568717250 /nfs/dbraw/zinc/71/72/50/568717250.db2.gz JOAZZZHFMDEEBU-SNVBAGLBSA-N 1 2 406.118 2.753 50 0 HFAALO Cc1nn(-c2ccccc2)c(Cl)c1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000021583135 568719918 /nfs/dbraw/zinc/71/99/18/568719918.db2.gz QMJJTDHEQXBCTH-UHFFFAOYSA-N 1 2 401.942 2.574 50 0 HFAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 ZINC000015077981 568750083 /nfs/dbraw/zinc/75/00/83/568750083.db2.gz OZFYEJGHZRRFHP-UHFFFAOYSA-N 1 2 410.909 2.641 50 0 HFAALO CCOC(=O)C1CC[NH+](CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000021866186 568755622 /nfs/dbraw/zinc/75/56/22/568755622.db2.gz KKASSDZSTKQWPR-UHFFFAOYSA-N 1 2 421.497 2.715 50 0 HFAALO CCOCCCNc1nc2c(cnn2C)c(NCc2cc(OC)ccc2OC)[nH+]1 ZINC000021930379 568761614 /nfs/dbraw/zinc/76/16/14/568761614.db2.gz JAFUNZUEDBBBNM-UHFFFAOYSA-N 1 2 400.483 2.831 50 0 HFAALO CC[NH+]1CCN([C@@H](c2ccc(OC)c(OC)c2)C2Sc3nc(C)nn3C2=O)CC1 ZINC000022458863 568768223 /nfs/dbraw/zinc/76/82/23/568768223.db2.gz RMNINQSNYCMFKZ-KRWDZBQOSA-N 1 2 417.535 2.549 50 0 HFAALO Cc1cc2ncc(C(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)c(C)n2n1 ZINC000028836791 568810762 /nfs/dbraw/zinc/81/07/62/568810762.db2.gz MDQNKCRIOZOZPU-UHFFFAOYSA-N 1 2 413.909 2.836 50 0 HFAALO O=S(=O)(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1cc(F)ccc1F ZINC000056997627 568822753 /nfs/dbraw/zinc/82/27/53/568822753.db2.gz GQDMGMQKACOYAR-UHFFFAOYSA-N 1 2 415.893 2.719 50 0 HFAALO CCOc1ccc([C@@H]2NC(=O)NC(C[N@H+](C)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415323 568833669 /nfs/dbraw/zinc/83/36/69/568833669.db2.gz BZBLISIJEGWCKW-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO CCOc1ccc([C@@H]2NC(=O)NC(C[N@@H+](C)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415323 568833670 /nfs/dbraw/zinc/83/36/70/568833670.db2.gz BZBLISIJEGWCKW-NRFANRHFSA-N 1 2 409.486 2.998 50 0 HFAALO Cn1cc[nH+]c1[C@@H](NC(=O)CNC(=O)c1cc(Cl)ccn1)c1ccc(Cl)cc1 ZINC000012507808 568839956 /nfs/dbraw/zinc/83/99/56/568839956.db2.gz OXYHIDVOGDGKQY-KRWDZBQOSA-N 1 2 418.284 2.758 50 0 HFAALO O=S(=O)(c1c(F)cccc1F)N1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000012559931 568857360 /nfs/dbraw/zinc/85/73/60/568857360.db2.gz BVYQNCOHZRWWHI-UHFFFAOYSA-N 1 2 418.469 2.657 50 0 HFAALO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000003588345 568863683 /nfs/dbraw/zinc/86/36/83/568863683.db2.gz AMOFXYSBNQZAFL-UHFFFAOYSA-N 1 2 405.495 2.681 50 0 HFAALO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000003588345 568863685 /nfs/dbraw/zinc/86/36/85/568863685.db2.gz AMOFXYSBNQZAFL-UHFFFAOYSA-N 1 2 405.495 2.681 50 0 HFAALO O=C(NC[C@H]1Cc2cccc(-c3cnccn3)c2O1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000299800411 568876687 /nfs/dbraw/zinc/87/66/87/568876687.db2.gz WEKOGMHVWGFBSF-RTBURBONSA-N 1 2 415.497 2.875 50 0 HFAALO COc1ccccc1[C@@H]1NC(=O)N(Cc2[nH+]cc(C)c(OC)c2C)C2=C1C(=O)OC2 ZINC000263616205 568910776 /nfs/dbraw/zinc/91/07/76/568910776.db2.gz HPTLMKZDHIGBIV-IBGZPJMESA-N 1 2 409.442 2.793 50 0 HFAALO C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCCCn1cc[nH+]c1 ZINC000031807768 568931567 /nfs/dbraw/zinc/93/15/67/568931567.db2.gz ANPFLRWYKVTYQZ-HNNXBMFYSA-N 1 2 422.514 2.608 50 0 HFAALO COc1ccc(OCC[NH+]2CCN(C(=O)c3cnc4c(cnn4C(C)C)c3)CC2)cc1 ZINC000012783563 568959038 /nfs/dbraw/zinc/95/90/38/568959038.db2.gz CCCDKGXZEDBQNQ-UHFFFAOYSA-N 1 2 423.517 2.858 50 0 HFAALO COc1ccc([C@@H](CNC(=O)c2ccc(S(C)(=O)=O)cc2)[NH+]2CCCC2)cc1 ZINC000008128762 568974841 /nfs/dbraw/zinc/97/48/41/568974841.db2.gz IASVWKAYAWCAGB-HXUWFJFHSA-N 1 2 402.516 2.666 50 0 HFAALO Cc1[nH]n(-c2ccccc2)c(=O)c1C1=C([n+]2cc(C)cc(C)c2)C(=O)N(C(C)C)C1=O ZINC000005097501 568978491 /nfs/dbraw/zinc/97/84/91/568978491.db2.gz KJBMFHBHDBBLNH-UHFFFAOYSA-O 1 2 417.489 2.936 50 0 HFAALO COc1ccc(CN2CC[N@H+](Cc3ccc4nonc4c3)C[C@H]2CCO)c(C)c1C ZINC000104459787 569008684 /nfs/dbraw/zinc/00/86/84/569008684.db2.gz JXHFFXFFDRRNCZ-HXUWFJFHSA-N 1 2 410.518 2.917 50 0 HFAALO COc1ccc(CN2CC[N@@H+](Cc3ccc4nonc4c3)C[C@H]2CCO)c(C)c1C ZINC000104459787 569008685 /nfs/dbraw/zinc/00/86/85/569008685.db2.gz JXHFFXFFDRRNCZ-HXUWFJFHSA-N 1 2 410.518 2.917 50 0 HFAALO C[N@H+](CC(=O)N1CCCC1)CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012911133 569021951 /nfs/dbraw/zinc/02/19/51/569021951.db2.gz IQDHWKVPLWHDPI-MRXNPFEDSA-N 1 2 400.548 2.557 50 0 HFAALO C[N@@H+](CC(=O)N1CCCC1)CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012911133 569021952 /nfs/dbraw/zinc/02/19/52/569021952.db2.gz IQDHWKVPLWHDPI-MRXNPFEDSA-N 1 2 400.548 2.557 50 0 HFAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)=O)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016040689 569028137 /nfs/dbraw/zinc/02/81/37/569028137.db2.gz RIUXOASMYAVRCJ-CLAROIROSA-N 1 2 400.434 2.994 50 0 biogenic HFAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C(C)=O)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016040689 569028138 /nfs/dbraw/zinc/02/81/38/569028138.db2.gz RIUXOASMYAVRCJ-CLAROIROSA-N 1 2 400.434 2.994 50 0 biogenic HFAALO CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575611108 569032429 /nfs/dbraw/zinc/03/24/29/569032429.db2.gz AHYBDDMXXJGELC-LJQANCHMSA-N 1 2 402.516 2.876 50 0 HFAALO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000012979725 569042664 /nfs/dbraw/zinc/04/26/64/569042664.db2.gz JFSJYTPDCFITLX-HNNXBMFYSA-N 1 2 407.561 2.826 50 0 HFAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012984062 569047642 /nfs/dbraw/zinc/04/76/42/569047642.db2.gz BEZHUKVBICSJMA-IYBDPMFKSA-N 1 2 408.424 2.521 50 0 HFAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012984062 569047643 /nfs/dbraw/zinc/04/76/43/569047643.db2.gz BEZHUKVBICSJMA-IYBDPMFKSA-N 1 2 408.424 2.521 50 0 HFAALO CS(=O)(=O)NC1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000054146594 569059880 /nfs/dbraw/zinc/05/98/80/569059880.db2.gz QCXMCZZGGIUMRZ-IBGZPJMESA-N 1 2 405.495 2.519 50 0 HFAALO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCn3cc[nH+]c3)cc2)cc1 ZINC000089453657 569060673 /nfs/dbraw/zinc/06/06/73/569060673.db2.gz BYBZLBJMWRNIEW-UHFFFAOYSA-N 1 2 400.460 2.721 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C(N)=O)C(C)C)csc3C2)nc1 ZINC000426489460 569073195 /nfs/dbraw/zinc/07/31/95/569073195.db2.gz ACJOVOHPNTZSQZ-IBGZPJMESA-N 1 2 400.548 2.504 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C(N)=O)C(C)C)csc3C2)nc1 ZINC000426489460 569073196 /nfs/dbraw/zinc/07/31/96/569073196.db2.gz ACJOVOHPNTZSQZ-IBGZPJMESA-N 1 2 400.548 2.504 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)[C@H](C)CC(N)=O)csc3C2)nc1 ZINC000426693776 569073956 /nfs/dbraw/zinc/07/39/56/569073956.db2.gz OLHUESRKRVQMEI-CQSZACIVSA-N 1 2 400.548 2.600 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)[C@H](C)CC(N)=O)csc3C2)nc1 ZINC000426693776 569073957 /nfs/dbraw/zinc/07/39/57/569073957.db2.gz OLHUESRKRVQMEI-CQSZACIVSA-N 1 2 400.548 2.600 50 0 HFAALO CC[C@@H](C)CN1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000036024584 569077655 /nfs/dbraw/zinc/07/76/55/569077655.db2.gz LDBVFOZCGBGPJF-YLJYHZDGSA-N 1 2 421.607 2.978 50 0 HFAALO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036171293 569104213 /nfs/dbraw/zinc/10/42/13/569104213.db2.gz DNZVGXSDOODGHQ-UHFFFAOYSA-N 1 2 414.487 2.565 50 0 HFAALO CCN1c2cc(C(=O)N3CC[NH+](CC)CC3)ccc2[S@](=O)c2ccccc2C1=O ZINC000006772271 569117596 /nfs/dbraw/zinc/11/75/96/569117596.db2.gz WXWFAKGHGBCMJG-GDLZYMKVSA-N 1 2 411.527 2.611 50 0 HFAALO CCCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000036253164 569119870 /nfs/dbraw/zinc/11/98/70/569119870.db2.gz XZIFNJQEHAITOM-OAQYLSRUSA-N 1 2 417.550 2.547 50 0 HFAALO CCn1cc(CC[NH+]2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2cccnc21 ZINC000065164817 569189373 /nfs/dbraw/zinc/18/93/73/569189373.db2.gz MKIJTJVRMREWHZ-UHFFFAOYSA-N 1 2 416.522 2.744 50 0 HFAALO CCn1cc(CC[NH+]2CCN(S(=O)(=O)c3cccc(C)c3)CC2)c2cccnc21 ZINC000065164827 569189438 /nfs/dbraw/zinc/18/94/38/569189438.db2.gz JFYCBSJFHBZJIV-UHFFFAOYSA-N 1 2 412.559 2.914 50 0 HFAALO CCn1cc(CC[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2cccnc21 ZINC000065164797 569189445 /nfs/dbraw/zinc/18/94/45/569189445.db2.gz RSIJJFURHHFGAG-UHFFFAOYSA-N 1 2 416.522 2.744 50 0 HFAALO Cc1cc(C)c2c(n1)nc(C(=O)N1CCN(c3cccc[nH+]3)CC1)nc2N1CCCC1 ZINC000065232010 569201288 /nfs/dbraw/zinc/20/12/88/569201288.db2.gz UOJVGGPCKNWZMW-UHFFFAOYSA-N 1 2 417.517 2.599 50 0 HFAALO COC(=O)c1cccc(NC(=O)c2cn(-c3cc(N4CCC(C)CC4)[nH+]cn3)cn2)c1 ZINC000065239866 569203609 /nfs/dbraw/zinc/20/36/09/569203609.db2.gz CDXLIUULXMEQGL-UHFFFAOYSA-N 1 2 420.473 2.938 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)CCCn3cccc3)CC2)c(OC)c1OC ZINC000524735422 569214254 /nfs/dbraw/zinc/21/42/54/569214254.db2.gz BHXKDSFZNCQQJC-UHFFFAOYSA-N 1 2 401.507 2.639 50 0 HFAALO O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000007285626 569231965 /nfs/dbraw/zinc/23/19/65/569231965.db2.gz CUZNPOVJYKMITI-UHFFFAOYSA-N 1 2 406.511 2.994 50 0 HFAALO CC(C)CNC(=O)NC(=O)[C@H](C)Sc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000014146458 569258726 /nfs/dbraw/zinc/25/87/26/569258726.db2.gz BBKDJKXDZZFNKS-LBPRGKRZSA-N 1 2 416.482 2.917 50 0 HFAALO Cc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)c(=O)[nH]c2=O)cc1C ZINC000016995105 569271079 /nfs/dbraw/zinc/27/10/79/569271079.db2.gz ZQSGZPRHFISODW-HXUWFJFHSA-N 1 2 402.454 2.565 50 0 biogenic HFAALO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1F ZINC000037470503 569300524 /nfs/dbraw/zinc/30/05/24/569300524.db2.gz KUOGYHKXSCEUCD-ZIFCJYIRSA-N 1 2 418.557 2.583 50 0 HFAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000007798928 569311171 /nfs/dbraw/zinc/31/11/71/569311171.db2.gz VDENFRHTCRZKOO-UHFFFAOYSA-N 1 2 412.515 2.829 50 0 HFAALO O=C(NCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1)c1ccc(Cl)cc1 ZINC000071788928 569359112 /nfs/dbraw/zinc/35/91/12/569359112.db2.gz WZWIFWPOJWWOAU-UHFFFAOYSA-N 1 2 413.831 2.701 50 0 HFAALO COc1ccc(CCS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCSCC2)cc1 ZINC000253407172 569366121 /nfs/dbraw/zinc/36/61/21/569366121.db2.gz VRBQQDUVORPDKM-GOSISDBHSA-N 1 2 410.561 2.540 50 0 HFAALO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccccc2F)c1 ZINC000013058444 569408245 /nfs/dbraw/zinc/40/82/45/569408245.db2.gz XEELKADSTQXULQ-UHFFFAOYSA-N 1 2 407.511 2.927 50 0 HFAALO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2F)c1 ZINC000013058444 569408246 /nfs/dbraw/zinc/40/82/46/569408246.db2.gz XEELKADSTQXULQ-UHFFFAOYSA-N 1 2 407.511 2.927 50 0 HFAALO Cc1nc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)s1 ZINC000079052801 569425736 /nfs/dbraw/zinc/42/57/36/569425736.db2.gz ZMUMHUNGNWXWCL-UHFFFAOYSA-N 1 2 400.957 2.966 50 0 HFAALO C[C@@H](SCc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000079074196 569426984 /nfs/dbraw/zinc/42/69/84/569426984.db2.gz JJVZIYZQPPOQCZ-AEFFLSMTSA-N 1 2 407.580 2.976 50 0 HFAALO C[C@@H](SCc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000079074196 569426985 /nfs/dbraw/zinc/42/69/85/569426985.db2.gz JJVZIYZQPPOQCZ-AEFFLSMTSA-N 1 2 407.580 2.976 50 0 HFAALO CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccccc2Cl)n(C)c1=O ZINC000008706125 571103510 /nfs/dbraw/zinc/10/35/10/571103510.db2.gz NVOZCPBESZNBJV-GFCCVEGCSA-N 1 2 400.870 2.527 50 0 HFAALO O=C(NCCc1ccc(OC(F)F)cc1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000040071305 571152054 /nfs/dbraw/zinc/15/20/54/571152054.db2.gz DGGHIBQFXVEBJP-UHFFFAOYSA-N 1 2 406.433 2.562 50 0 HFAALO O=C(C[NH+]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)CC1)N1CCCC1 ZINC000040082161 571156251 /nfs/dbraw/zinc/15/62/51/571156251.db2.gz OJPJBIVVMJURQC-UHFFFAOYSA-N 1 2 421.541 2.889 50 0 HFAALO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000040088974 571159159 /nfs/dbraw/zinc/15/91/59/571159159.db2.gz JIGLTAZGNZCUQJ-UHFFFAOYSA-N 1 2 412.515 2.792 50 0 HFAALO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000040088974 571159162 /nfs/dbraw/zinc/15/91/62/571159162.db2.gz JIGLTAZGNZCUQJ-UHFFFAOYSA-N 1 2 412.515 2.792 50 0 HFAALO CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000040142206 571193010 /nfs/dbraw/zinc/19/30/10/571193010.db2.gz PIYYNHRXLHZNCZ-JBYIUTFZSA-N 1 2 424.545 2.766 50 0 HFAALO CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccoc2)[NH+]2CCSCC2)c1 ZINC000244986078 571211720 /nfs/dbraw/zinc/21/17/20/571211720.db2.gz JESVVPWPDGTIBP-KRWDZBQOSA-N 1 2 405.545 2.846 50 0 HFAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000009315166 571247372 /nfs/dbraw/zinc/24/73/72/571247372.db2.gz IODINJBKJXDIFV-HNNXBMFYSA-N 1 2 415.515 2.728 50 0 HFAALO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000009315166 571247373 /nfs/dbraw/zinc/24/73/73/571247373.db2.gz IODINJBKJXDIFV-HNNXBMFYSA-N 1 2 415.515 2.728 50 0 HFAALO C[C@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000009421364 571257117 /nfs/dbraw/zinc/25/71/17/571257117.db2.gz ZYSCWPLLXBBJBF-ZDUSSCGKSA-N 1 2 416.938 2.831 50 0 HFAALO COc1cccc(CN2C(SCc3ccccc3)=[NH+][C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009486145 571262375 /nfs/dbraw/zinc/26/23/75/571262375.db2.gz AQSSONOTGHCQLM-RBUKOAKNSA-N 1 2 402.541 2.966 50 0 HFAALO O=C(NCc1cn2ccccc2[nH+]1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000009516914 571265121 /nfs/dbraw/zinc/26/51/21/571265121.db2.gz PYAUYMUWJMABQS-UHFFFAOYSA-N 1 2 412.515 2.829 50 0 HFAALO CCOc1ccccc1NC(=O)C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2 ZINC000009526823 571265897 /nfs/dbraw/zinc/26/58/97/571265897.db2.gz NKLHVTJERZREMM-UHFFFAOYSA-N 1 2 424.476 2.574 50 0 biogenic HFAALO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)Oc2ccccc21 ZINC000008133033 132327684 /nfs/dbraw/zinc/32/76/84/132327684.db2.gz INFDFQJNAWQNIT-SFHVURJKSA-N 1 2 422.529 2.737 50 0 HFAALO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)Oc2ccccc21 ZINC000008133033 132327687 /nfs/dbraw/zinc/32/76/87/132327687.db2.gz INFDFQJNAWQNIT-SFHVURJKSA-N 1 2 422.529 2.737 50 0 HFAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)n2nc(CC)sc2n1 ZINC000032759452 521696288 /nfs/dbraw/zinc/69/62/88/521696288.db2.gz CKFNBIXZHHNNNV-UHFFFAOYSA-N 1 2 400.464 2.769 50 0 HFAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)n2nc(CC)sc2n1 ZINC000032759452 521696292 /nfs/dbraw/zinc/69/62/92/521696292.db2.gz CKFNBIXZHHNNNV-UHFFFAOYSA-N 1 2 400.464 2.769 50 0 HFAALO COc1cc(OC)cc([C@@H](NC(=O)[C@H]2COc3ccccc3C2)c2[nH+]ccn2C)c1 ZINC000032843509 522873938 /nfs/dbraw/zinc/87/39/38/522873938.db2.gz KSHMMTQVFUDXNT-DYESRHJHSA-N 1 2 407.470 2.894 50 0 HFAALO COc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)c(F)c1 ZINC000020540535 524032945 /nfs/dbraw/zinc/03/29/45/524032945.db2.gz ADTOZRAIIHACHQ-SFHVURJKSA-N 1 2 412.509 2.790 50 0 HFAALO COc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3C)C[C@@H]2CCO)c(F)c1 ZINC000020540535 524032947 /nfs/dbraw/zinc/03/29/47/524032947.db2.gz ADTOZRAIIHACHQ-SFHVURJKSA-N 1 2 412.509 2.790 50 0 HFAALO COc1ccc(CNC(=S)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCOCC2)cc1 ZINC000032639080 524068573 /nfs/dbraw/zinc/06/85/73/524068573.db2.gz VCZJEJSCLSKWFT-NRFANRHFSA-N 1 2 415.559 2.741 50 0 HFAALO COc1ccccc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1[nH+]ccn1C ZINC000032842379 524739831 /nfs/dbraw/zinc/73/98/31/524739831.db2.gz RQUNSGHMXKOZRT-HTAPYJJXSA-N 1 2 418.497 2.996 50 0 HFAALO Cc1c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cnn1-c1ccccc1 ZINC000032237372 525582351 /nfs/dbraw/zinc/58/23/51/525582351.db2.gz KOIDDIZXVPXDRZ-UHFFFAOYSA-N 1 2 418.497 2.910 50 0 HFAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NCCc1cccs1 ZINC000032739777 526702097 /nfs/dbraw/zinc/70/20/97/526702097.db2.gz ZBHPIIAQBDGIFY-HNNXBMFYSA-N 1 2 407.561 2.859 50 0 HFAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)NC(=O)NCCc1cccs1 ZINC000032739777 526702099 /nfs/dbraw/zinc/70/20/99/526702099.db2.gz ZBHPIIAQBDGIFY-HNNXBMFYSA-N 1 2 407.561 2.859 50 0 HFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)Nc1ccc(OC(F)F)cc1 ZINC000022805488 526774088 /nfs/dbraw/zinc/77/40/88/526774088.db2.gz KWVCCLRSGLOWCB-UHFFFAOYSA-N 1 2 417.456 2.979 50 0 HFAALO O=C1CCCN1c1ccc(CNc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000032908943 526979302 /nfs/dbraw/zinc/97/93/02/526979302.db2.gz LRMVUDAFVZHZNU-UHFFFAOYSA-N 1 2 407.522 2.811 50 0 HFAALO CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21 ZINC000002267248 536031661 /nfs/dbraw/zinc/03/16/61/536031661.db2.gz JMMDCUMWMOWPLB-UHFFFAOYSA-N 1 2 400.498 2.585 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000002187188 557654615 /nfs/dbraw/zinc/65/46/15/557654615.db2.gz TZNFGVJRQISOHK-JBYIUTFZSA-N 1 2 415.442 2.733 50 0 HFAALO COc1ccc2c(c1OC)[C@H](O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000002187188 557654616 /nfs/dbraw/zinc/65/46/16/557654616.db2.gz TZNFGVJRQISOHK-JBYIUTFZSA-N 1 2 415.442 2.733 50 0 HFAALO COCC(=O)N(Cc1cc2ccc(OC)cc2[nH+]c1N1CCCC1)C[C@@H]1CCCO1 ZINC000011786696 558276102 /nfs/dbraw/zinc/27/61/02/558276102.db2.gz LCOKRRABYDCQFI-FQEVSTJZSA-N 1 2 413.518 2.998 50 0 HFAALO COc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(OC)cc1Cl ZINC000019800282 558285356 /nfs/dbraw/zinc/28/53/56/558285356.db2.gz PGUXUUWMTCJUHC-UHFFFAOYSA-N 1 2 410.923 2.864 50 0 HFAALO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]Cc1cccnc1 ZINC000011839670 558286084 /nfs/dbraw/zinc/28/60/84/558286084.db2.gz VNDAGGDDJGBJDT-UHFFFAOYSA-N 1 2 417.469 2.586 50 0 HFAALO COc1cc(Cl)ccc1OCc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)no1 ZINC000019835691 558292740 /nfs/dbraw/zinc/29/27/40/558292740.db2.gz OBPAOULTANNRFC-UHFFFAOYSA-N 1 2 423.897 2.756 50 0 HFAALO NC(=O)Cn1c2ccccc2n(CCCOc2ccc(Br)cc2)c1=[NH2+] ZINC000020069506 558330581 /nfs/dbraw/zinc/33/05/81/558330581.db2.gz NKKUVVUZWMJIOD-UHFFFAOYSA-N 1 2 403.280 2.639 50 0 HFAALO CSCCCNC(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000020454121 558368071 /nfs/dbraw/zinc/36/80/71/558368071.db2.gz XLANMVVLJSGZBU-WEVVVXLNSA-N 1 2 414.575 2.989 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000012307229 558375811 /nfs/dbraw/zinc/37/58/11/558375811.db2.gz PMDGMXVXLUPTJH-INIZCTEOSA-N 1 2 406.552 2.732 50 0 HFAALO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000012307229 558375814 /nfs/dbraw/zinc/37/58/14/558375814.db2.gz PMDGMXVXLUPTJH-INIZCTEOSA-N 1 2 406.552 2.732 50 0 HFAALO COc1ccccc1[C@@H](C)N(C)C(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1 ZINC000012387574 558396368 /nfs/dbraw/zinc/39/63/68/558396368.db2.gz IVGOKDREFWRBKT-GOSISDBHSA-N 1 2 414.554 2.913 50 0 HFAALO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000020654164 558397887 /nfs/dbraw/zinc/39/78/87/558397887.db2.gz SLJWOYNOCZTLDC-UHFFFAOYSA-N 1 2 417.531 2.550 50 0 HFAALO O=C(c1cn(CCc2ccccc2)nn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020784679 558413569 /nfs/dbraw/zinc/41/35/69/558413569.db2.gz PVLMJSJLRKILGM-KPKJPENVSA-N 1 2 401.514 2.992 50 0 HFAALO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000012582496 558432821 /nfs/dbraw/zinc/43/28/21/558432821.db2.gz QKUYWMGXYMYAGH-QHCPKHFHSA-N 1 2 416.525 2.892 50 0 HFAALO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000012582496 558432823 /nfs/dbraw/zinc/43/28/23/558432823.db2.gz QKUYWMGXYMYAGH-QHCPKHFHSA-N 1 2 416.525 2.892 50 0 HFAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(CN2CCCC2=O)cc1 ZINC000022226109 558466994 /nfs/dbraw/zinc/46/69/94/558466994.db2.gz IBXHAMRWKFABJE-QFIPXVFZSA-N 1 2 407.514 2.612 50 0 HFAALO O=C(C[NH+]1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1)N1CCCC1 ZINC000022799871 558512627 /nfs/dbraw/zinc/51/26/27/558512627.db2.gz MSVQXIFIVAPVFD-UHFFFAOYSA-N 1 2 409.559 2.803 50 0 HFAALO O=C(CN1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1)N1CCCC1 ZINC000022799871 558512628 /nfs/dbraw/zinc/51/26/28/558512628.db2.gz MSVQXIFIVAPVFD-UHFFFAOYSA-N 1 2 409.559 2.803 50 0 HFAALO COc1ccccc1-c1nc(CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)cs1 ZINC000022800078 558512931 /nfs/dbraw/zinc/51/29/31/558512931.db2.gz QHCUFAKPJRWQFZ-UHFFFAOYSA-N 1 2 402.564 2.851 50 0 HFAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c1C ZINC000022801020 558512961 /nfs/dbraw/zinc/51/29/61/558512961.db2.gz IJYUOXPMCHEYEH-KRWDZBQOSA-N 1 2 407.518 2.871 50 0 HFAALO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000022912802 558519950 /nfs/dbraw/zinc/51/99/50/558519950.db2.gz KFDXYDIIKGXAEJ-OAHLLOKOSA-N 1 2 417.941 2.507 50 0 HFAALO O=C1NC2(CCCCC2)C(=O)N1CN1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000022912910 558520095 /nfs/dbraw/zinc/52/00/95/558520095.db2.gz YVYHUBYQZMQZOX-UHFFFAOYSA-N 1 2 413.547 2.626 50 0 HFAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000022913728 558520607 /nfs/dbraw/zinc/52/06/07/558520607.db2.gz YJHYRRJRFKWATI-QKKBWIMNSA-N 1 2 413.547 2.653 50 0 HFAALO CCC[NH+]1CCN(Cc2cnc(S(=O)(=O)CC)n2CCCc2ccccc2)CC1 ZINC000022918446 558522149 /nfs/dbraw/zinc/52/21/49/558522149.db2.gz JHSXBGUUULHIRA-UHFFFAOYSA-N 1 2 418.607 2.837 50 0 HFAALO O=C(CN1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1)Nc1cccc(F)c1 ZINC000022926562 558523256 /nfs/dbraw/zinc/52/32/56/558523256.db2.gz VDYCLPZNLSUWEG-HSZRJFAPSA-N 1 2 424.520 2.746 50 0 HFAALO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)s3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022932361 558524669 /nfs/dbraw/zinc/52/46/69/558524669.db2.gz UBNTZSWHYPQXLT-INIZCTEOSA-N 1 2 407.898 2.990 50 0 HFAALO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023408576 558556982 /nfs/dbraw/zinc/55/69/82/558556982.db2.gz DBYHGFHKZHDDBN-XMMPIXPASA-N 1 2 419.481 2.972 50 0 HFAALO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000023408576 558556987 /nfs/dbraw/zinc/55/69/87/558556987.db2.gz DBYHGFHKZHDDBN-XMMPIXPASA-N 1 2 419.481 2.972 50 0 HFAALO CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000013685450 558569307 /nfs/dbraw/zinc/56/93/07/558569307.db2.gz FQMNUKVRBHSEJD-OAHLLOKOSA-N 1 2 410.478 2.733 50 0 HFAALO C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1=O ZINC000023731305 558571362 /nfs/dbraw/zinc/57/13/62/558571362.db2.gz AINXYNXJHKLKJO-IFMALSPDSA-N 1 2 421.541 2.819 50 0 HFAALO CCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2=O ZINC000023762137 558574691 /nfs/dbraw/zinc/57/46/91/558574691.db2.gz SLAGQLLQUOBNGL-LNCJBJJNSA-N 1 2 423.517 2.940 50 0 HFAALO Cc1cc2nc(C)c(CCC(=O)NCc3ccccc3C[NH+]3CCOCC3)c(C)n2n1 ZINC000023873087 558578854 /nfs/dbraw/zinc/57/88/54/558578854.db2.gz HIMZUQPCGIYBHZ-UHFFFAOYSA-N 1 2 421.545 2.736 50 0 HFAALO O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023873097 558578886 /nfs/dbraw/zinc/57/88/86/558578886.db2.gz IHAQJSFVJCUTQG-NRFANRHFSA-N 1 2 414.509 2.932 50 0 HFAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(N2CCCC2=O)n1)c1cccc(F)c1 ZINC000024015443 558584689 /nfs/dbraw/zinc/58/46/89/558584689.db2.gz UGIRJSZSHPFWPJ-GOSISDBHSA-N 1 2 413.478 2.591 50 0 HFAALO COC(=O)c1c2c(sc1NC(=S)N1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000013830377 558596503 /nfs/dbraw/zinc/59/65/03/558596503.db2.gz XVCUOEGJZADUKA-UHFFFAOYSA-N 1 2 402.545 2.937 50 0 HFAALO CC[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000024763011 558611214 /nfs/dbraw/zinc/61/12/14/558611214.db2.gz QMTWRXHNXDPBFQ-SFHLNBCPSA-N 1 2 400.567 2.526 50 0 HFAALO Cc1cc(CN2CC[NH+]([C@@H](C)C(=O)N3CCC(Cc4ccccc4)CC3)CC2)no1 ZINC000024978378 558624045 /nfs/dbraw/zinc/62/40/45/558624045.db2.gz FTDZYFDHRJHSKT-FQEVSTJZSA-N 1 2 410.562 2.970 50 0 HFAALO COc1ccc(OCC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000014167378 558626669 /nfs/dbraw/zinc/62/66/69/558626669.db2.gz QMYJXJPLRCFINK-UHFFFAOYSA-N 1 2 404.894 2.951 50 0 HFAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014200544 558636309 /nfs/dbraw/zinc/63/63/09/558636309.db2.gz NMGDIRXGSFQYHA-IBGZPJMESA-N 1 2 411.527 2.924 50 0 HFAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000014200545 558636333 /nfs/dbraw/zinc/63/63/33/558636333.db2.gz NMGDIRXGSFQYHA-LJQANCHMSA-N 1 2 411.527 2.924 50 0 HFAALO CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1C[N@H+](Cc1cccc(O)c1)CC2 ZINC000014541499 558660081 /nfs/dbraw/zinc/66/00/81/558660081.db2.gz DXBKTPLWHNWHRK-UHFFFAOYSA-N 1 2 420.513 2.954 50 0 HFAALO CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1C[N@@H+](Cc1cccc(O)c1)CC2 ZINC000014541499 558660086 /nfs/dbraw/zinc/66/00/86/558660086.db2.gz DXBKTPLWHNWHRK-UHFFFAOYSA-N 1 2 420.513 2.954 50 0 HFAALO O=C(NCc1nccs1)c1nn(CC2CC2)c2c1C[N@H+](Cc1cccc(O)c1)CC2 ZINC000014746480 558669331 /nfs/dbraw/zinc/66/93/31/558669331.db2.gz ALSXSLYENLJSON-UHFFFAOYSA-N 1 2 423.542 2.944 50 0 HFAALO O=C(NCc1nccs1)c1nn(CC2CC2)c2c1C[N@@H+](Cc1cccc(O)c1)CC2 ZINC000014746480 558669333 /nfs/dbraw/zinc/66/93/33/558669333.db2.gz ALSXSLYENLJSON-UHFFFAOYSA-N 1 2 423.542 2.944 50 0 HFAALO COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CC[N@H+](Cc2ccccn2)C3)c1 ZINC000014747420 558669517 /nfs/dbraw/zinc/66/95/17/558669517.db2.gz FLVPEDROMNBULB-UHFFFAOYSA-N 1 2 417.513 2.786 50 0 HFAALO COc1cccc(Cn2nc(C(=O)NC3CC3)c3c2CC[N@@H+](Cc2ccccn2)C3)c1 ZINC000014747420 558669520 /nfs/dbraw/zinc/66/95/20/558669520.db2.gz FLVPEDROMNBULB-UHFFFAOYSA-N 1 2 417.513 2.786 50 0 HFAALO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000029558048 558716891 /nfs/dbraw/zinc/71/68/91/558716891.db2.gz KAZFWBYDIPJKSH-UHFFFAOYSA-N 1 2 416.547 2.689 50 0 HFAALO O=C(c1ccc2n[nH]nc2c1)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000030125983 558727195 /nfs/dbraw/zinc/72/71/95/558727195.db2.gz BYFXDUAHOPQORF-UHFFFAOYSA-N 1 2 405.380 2.815 50 0 HFAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000030537125 558732042 /nfs/dbraw/zinc/73/20/42/558732042.db2.gz RJGJBQIXTVDNCP-JTHBVZDNSA-N 1 2 421.541 2.846 50 0 HFAALO COC(=O)c1cn(CC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)c2ccccc12 ZINC000030540358 558732094 /nfs/dbraw/zinc/73/20/94/558732094.db2.gz CNCIDGUHXSGCBZ-OAQYLSRUSA-N 1 2 421.497 2.618 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)cc1 ZINC000072305326 558758135 /nfs/dbraw/zinc/75/81/35/558758135.db2.gz FXFKYGRNLVCPAX-WOJBJXKFSA-N 1 2 416.518 2.533 50 0 HFAALO COC(=O)c1ccc(CNC(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)OC)cc1 ZINC000072305326 558758138 /nfs/dbraw/zinc/75/81/38/558758138.db2.gz FXFKYGRNLVCPAX-WOJBJXKFSA-N 1 2 416.518 2.533 50 0 HFAALO C[NH+](C)CCN(C(=O)CS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000004585298 558776002 /nfs/dbraw/zinc/77/60/02/558776002.db2.gz OLVUCXQVZVBXHS-UHFFFAOYSA-N 1 2 403.529 2.665 50 0 HFAALO CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCC[NH+]2CCN(Cc3ccsc3)CC2)C1 ZINC000072310700 558777854 /nfs/dbraw/zinc/77/78/54/558777854.db2.gz GTLKILDOXNCPPN-SFHVURJKSA-N 1 2 423.579 2.666 50 0 HFAALO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000034895973 558787115 /nfs/dbraw/zinc/78/71/15/558787115.db2.gz ZNUSULLYVTWOJC-UHFFFAOYSA-N 1 2 416.319 2.871 50 0 HFAALO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000034895973 558787118 /nfs/dbraw/zinc/78/71/18/558787118.db2.gz ZNUSULLYVTWOJC-UHFFFAOYSA-N 1 2 416.319 2.871 50 0 HFAALO O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000035598122 558793929 /nfs/dbraw/zinc/79/39/29/558793929.db2.gz LXNZUNPIAHYWEH-UHFFFAOYSA-N 1 2 401.833 2.809 50 0 HFAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H](C)c1ccc(-n3cncn3)cc1)[nH]c2=O ZINC000016695365 558800793 /nfs/dbraw/zinc/80/07/93/558800793.db2.gz GDWWUVKWPUNMIQ-AWEZNQCLSA-N 1 2 418.457 2.896 50 0 HFAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H](C)c1ccc(-n3cncn3)cc1)[nH]c2=O ZINC000016695365 558800796 /nfs/dbraw/zinc/80/07/96/558800796.db2.gz GDWWUVKWPUNMIQ-AWEZNQCLSA-N 1 2 418.457 2.896 50 0 HFAALO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528538 558812062 /nfs/dbraw/zinc/81/20/62/558812062.db2.gz DGLPRSKHOUTZHM-UHFFFAOYSA-N 1 2 404.518 2.840 50 0 HFAALO O=C(Cc1c[nH]c2ccccc12)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528538 558812063 /nfs/dbraw/zinc/81/20/63/558812063.db2.gz DGLPRSKHOUTZHM-UHFFFAOYSA-N 1 2 404.518 2.840 50 0 HFAALO O=C(c1ccc(Br)cc1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528203 558812111 /nfs/dbraw/zinc/81/21/11/558812111.db2.gz HFLWKQOXXCLXEZ-UHFFFAOYSA-N 1 2 416.323 2.802 50 0 HFAALO O=C(c1ccc(Br)cc1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528203 558812113 /nfs/dbraw/zinc/81/21/13/558812113.db2.gz HFLWKQOXXCLXEZ-UHFFFAOYSA-N 1 2 416.323 2.802 50 0 HFAALO CCCCCCOc1ccc(N2C(=O)C[C@H](SC[C@H]([NH3+])C(=O)OCC)C2=O)cc1 ZINC000018250340 558834701 /nfs/dbraw/zinc/83/47/01/558834701.db2.gz NOBGEUNIDGHZMI-ROUUACIJSA-N 1 2 422.547 2.901 50 0 biogenic HFAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000046343575 558858142 /nfs/dbraw/zinc/85/81/42/558858142.db2.gz OCALPVPVPNRYRU-IBGZPJMESA-N 1 2 415.486 2.713 50 0 HFAALO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000046343575 558858143 /nfs/dbraw/zinc/85/81/43/558858143.db2.gz OCALPVPVPNRYRU-IBGZPJMESA-N 1 2 415.486 2.713 50 0 HFAALO COc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)c2ccccc2)cc1Cl ZINC000033040189 558869501 /nfs/dbraw/zinc/86/95/01/558869501.db2.gz ZIDXEBUWPDLREM-MAUKXSAKSA-N 1 2 408.907 2.805 50 0 HFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000019561054 558921876 /nfs/dbraw/zinc/92/18/76/558921876.db2.gz NWMCSEAOPPKMDL-UHFFFAOYSA-N 1 2 400.475 2.679 50 0 HFAALO COc1ccc(NC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)ncn3)CC2)c(C)c1 ZINC000072117645 558927530 /nfs/dbraw/zinc/92/75/30/558927530.db2.gz SVLZPWYCDDRLMX-UHFFFAOYSA-N 1 2 421.505 2.950 50 0 HFAALO CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000072140567 558929345 /nfs/dbraw/zinc/92/93/45/558929345.db2.gz MGTDJYNWHOLAOA-UHFFFAOYSA-N 1 2 405.545 2.597 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccoc1 ZINC000072152494 558929777 /nfs/dbraw/zinc/92/97/77/558929777.db2.gz GEQJYAWLNWVOLT-JOCHJYFZSA-N 1 2 403.482 2.954 50 0 HFAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)NCc1ccoc1 ZINC000072152494 558929778 /nfs/dbraw/zinc/92/97/78/558929778.db2.gz GEQJYAWLNWVOLT-JOCHJYFZSA-N 1 2 403.482 2.954 50 0 HFAALO O=C([C@@H]1C[C@@H](n2cnnn2)C[N@H+]1Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000064058185 558961814 /nfs/dbraw/zinc/96/18/14/558961814.db2.gz NVWFDHXGCHLZNM-MSOLQXFVSA-N 1 2 422.455 2.910 50 0 HFAALO O=C([C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 ZINC000064058185 558961817 /nfs/dbraw/zinc/96/18/17/558961817.db2.gz NVWFDHXGCHLZNM-MSOLQXFVSA-N 1 2 422.455 2.910 50 0 HFAALO Cc1cc(C)n(-c2cc(N3CCN(C(=O)[C@@H](C)Oc4ccccc4)CC3)[nH+]c(C)n2)n1 ZINC000065361796 558972492 /nfs/dbraw/zinc/97/24/92/558972492.db2.gz WBFLTNAAKHRYKE-GOSISDBHSA-N 1 2 420.517 2.704 50 0 HFAALO O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000067621252 558989731 /nfs/dbraw/zinc/98/97/31/558989731.db2.gz CZHBNLOGTZCSPH-UHFFFAOYSA-N 1 2 403.273 2.932 50 0 HFAALO Cc1cc(N2CCC([C@]3(c4cccnc4)NC(=O)NC3=O)CC2)[nH+]c2ccccc12 ZINC000067803338 558993202 /nfs/dbraw/zinc/99/32/02/558993202.db2.gz ACXSUOPXOHAFQF-HSZRJFAPSA-N 1 2 401.470 2.890 50 0 HFAALO COc1cc(-c2onc(C)c2C(=O)NCCCn2cc[nH+]c2)cc(OC)c1OC ZINC000023312762 559115579 /nfs/dbraw/zinc/11/55/79/559115579.db2.gz QECQRWOPOVEMNS-UHFFFAOYSA-N 1 2 400.435 2.692 50 0 HFAALO COc1cccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4Cl)CC3)C2=O)c1 ZINC000100129870 559130183 /nfs/dbraw/zinc/13/01/83/559130183.db2.gz TUVDRYYCBURZEA-HXUWFJFHSA-N 1 2 413.905 2.798 50 0 HFAALO CCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2=O)cc1 ZINC000100313940 559134038 /nfs/dbraw/zinc/13/40/38/559134038.db2.gz IVTQBWBBHGTGCZ-HXUWFJFHSA-N 1 2 409.486 2.548 50 0 HFAALO CC(=O)c1ccc(N2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000024053191 559189310 /nfs/dbraw/zinc/18/93/10/559189310.db2.gz QVYGCWJCXHNUIN-UHFFFAOYSA-N 1 2 421.549 2.601 50 0 HFAALO CC(=O)c1ccc(N2CCN(c3nc(N4CCCC4)nc(N4CCCC4)[nH+]3)CC2)cc1 ZINC000024053191 559189312 /nfs/dbraw/zinc/18/93/12/559189312.db2.gz QVYGCWJCXHNUIN-UHFFFAOYSA-N 1 2 421.549 2.601 50 0 HFAALO CC[C@@H]1C[N@H+](CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000011910689 559265933 /nfs/dbraw/zinc/26/59/33/559265933.db2.gz JFQYMOUCDXDNDM-GOSISDBHSA-N 1 2 423.517 2.619 50 0 HFAALO CC[C@@H]1C[N@@H+](CC(=O)NCCCn2nnc3ccccc32)Cc2cc(OC)ccc2O1 ZINC000011910689 559265934 /nfs/dbraw/zinc/26/59/34/559265934.db2.gz JFQYMOUCDXDNDM-GOSISDBHSA-N 1 2 423.517 2.619 50 0 HFAALO CCC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000016578776 560739786 /nfs/dbraw/zinc/73/97/86/560739786.db2.gz QPRKUOFNBYLFBN-UHFFFAOYSA-N 1 2 417.531 2.550 50 0 HFAALO CN(C)c1[nH+]cccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000047976256 568431624 /nfs/dbraw/zinc/43/16/24/568431624.db2.gz NTETZPBMHMCUAP-UHFFFAOYSA-N 1 2 416.547 2.894 50 0 HFAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cccc(OCCn2cccn2)c1 ZINC000048236671 568432970 /nfs/dbraw/zinc/43/29/70/568432970.db2.gz ZHEUDGBCDJQQFZ-UHFFFAOYSA-N 1 2 422.489 2.515 50 0 HFAALO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccc[nH+]c2N2CCOCC2)cc1 ZINC000048278145 568435685 /nfs/dbraw/zinc/43/56/85/568435685.db2.gz PDHWOELCYZBYCO-HNNXBMFYSA-N 1 2 414.531 2.674 50 0 HFAALO COc1ccccc1CNC(=O)c1cn(-c2cc(N3CCC(C)CC3)[nH+]cn2)cn1 ZINC000049411262 568450008 /nfs/dbraw/zinc/45/00/08/568450008.db2.gz OZIXAXQLANRBSE-UHFFFAOYSA-N 1 2 406.490 2.837 50 0 HFAALO COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCc4c[nH+]c[nH]4)cc3)cc2c1 ZINC000012296963 568462584 /nfs/dbraw/zinc/46/25/84/568462584.db2.gz LWTOPDWPDQEVPC-UHFFFAOYSA-N 1 2 419.437 2.929 50 0 biogenic HFAALO COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCc4c[nH]c[nH+]4)cc3)cc2c1 ZINC000012296963 568462585 /nfs/dbraw/zinc/46/25/85/568462585.db2.gz LWTOPDWPDQEVPC-UHFFFAOYSA-N 1 2 419.437 2.929 50 0 biogenic HFAALO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc1OC ZINC000020287572 568597164 /nfs/dbraw/zinc/59/71/64/568597164.db2.gz NKIBGHXIPWMGGL-VFNWGFHPSA-N 1 2 404.532 2.886 50 0 HFAALO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCOCC2)cc1OC ZINC000020287570 568597230 /nfs/dbraw/zinc/59/72/30/568597230.db2.gz NKIBGHXIPWMGGL-BTYIYWSLSA-N 1 2 404.532 2.886 50 0 HFAALO Cc1[nH]ncc1CCCNC(=O)[C@H](C)C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000095400400 568604915 /nfs/dbraw/zinc/60/49/15/568604915.db2.gz YEYGAUIDPCWDSX-CYBMUJFWSA-N 1 2 406.914 2.617 50 0 HFAALO O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000020412496 568605543 /nfs/dbraw/zinc/60/55/43/568605543.db2.gz VJPVJRLHEBEUEV-GOSISDBHSA-N 1 2 408.845 2.601 50 0 biogenic HFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(Cl)c1C)[N@H+](C)CC3)OCO2 ZINC000020412853 568605736 /nfs/dbraw/zinc/60/57/36/568605736.db2.gz HMNCRJABNGESIS-KRWDZBQOSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(Cl)c1C)[N@@H+](C)CC3)OCO2 ZINC000020412853 568605737 /nfs/dbraw/zinc/60/57/37/568605737.db2.gz HMNCRJABNGESIS-KRWDZBQOSA-N 1 2 413.865 2.939 50 0 biogenic HFAALO Cc1ccc(Br)c(CC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000225414751 568635444 /nfs/dbraw/zinc/63/54/44/568635444.db2.gz DFAJZVFWKMXCGG-HNNXBMFYSA-N 1 2 403.324 2.995 50 0 HFAALO C[NH+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020645360 568639059 /nfs/dbraw/zinc/63/90/59/568639059.db2.gz NIJFRYNRMDOHQG-UHFFFAOYSA-N 1 2 416.934 2.678 50 0 HFAALO O=C([C@@H]1CCCN(c2nc3cccnc3s2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020996295 568656850 /nfs/dbraw/zinc/65/68/50/568656850.db2.gz MGWFCYXLRXQOOS-MRXNPFEDSA-N 1 2 408.531 2.652 50 0 HFAALO COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000021033215 568659488 /nfs/dbraw/zinc/65/94/88/568659488.db2.gz TYIAIXSUAQEARE-UHFFFAOYSA-N 1 2 414.487 2.565 50 0 HFAALO Cc1ccc(-c2noc(CCC[NH+]3CCN(C(=O)c4cccnc4)CC3)n2)cc1F ZINC000095963203 568670523 /nfs/dbraw/zinc/67/05/23/568670523.db2.gz REOJEAOQWWQGNE-UHFFFAOYSA-N 1 2 409.465 2.970 50 0 HFAALO COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232002 568707843 /nfs/dbraw/zinc/70/78/43/568707843.db2.gz LMRBOLYROUBKIA-LLVKDONJSA-N 1 2 402.428 2.872 50 0 HFAALO C[C@@H](Sc1nnnn1C1CCCC1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021972501 568764077 /nfs/dbraw/zinc/76/40/77/568764077.db2.gz BRPZZCQZCABEAI-MRXNPFEDSA-N 1 2 400.552 2.613 50 0 HFAALO O=S1(=O)CC[C@H]([N@H+](Cc2cccs2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000226776578 568823735 /nfs/dbraw/zinc/82/37/35/568823735.db2.gz REWRVMSBXKGXPX-JKSUJKDBSA-N 1 2 415.964 2.831 50 0 HFAALO O=S1(=O)CC[C@H]([N@@H+](Cc2cccs2)C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000226776578 568823734 /nfs/dbraw/zinc/82/37/34/568823734.db2.gz REWRVMSBXKGXPX-JKSUJKDBSA-N 1 2 415.964 2.831 50 0 HFAALO COc1cccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2[nH+]ccn2C)c1 ZINC000029813925 568834557 /nfs/dbraw/zinc/83/45/57/568834557.db2.gz RXUHGUJGAVSFSB-QFIPXVFZSA-N 1 2 420.469 2.598 50 0 HFAALO COc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc(OC)c1OC ZINC000012561535 568858517 /nfs/dbraw/zinc/85/85/17/568858517.db2.gz BRNUTQJSMIXUKD-IIBYNOLFSA-N 1 2 414.502 2.904 50 0 HFAALO CCOC(=O)c1c(NC(=O)[C@@H](C)[NH+]2CCC(C(N)=O)CC2)sc2c1CC[C@H](C)C2 ZINC000003252572 568868160 /nfs/dbraw/zinc/86/81/60/568868160.db2.gz GOBPCWKPCYCKMX-QWHCGFSZSA-N 1 2 421.563 2.574 50 0 HFAALO O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1OCC[NH+]1CCOCC1 ZINC000263587558 568883125 /nfs/dbraw/zinc/88/31/25/568883125.db2.gz IGLDZIJVPAGWPI-UHFFFAOYSA-N 1 2 422.485 2.618 50 0 HFAALO CC[NH+]1CCN(C(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)CC1 ZINC000058119642 568887915 /nfs/dbraw/zinc/88/79/15/568887915.db2.gz JUBMPGSDUBQRRL-UHFFFAOYSA-N 1 2 414.506 2.732 50 0 HFAALO O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031042159 568910563 /nfs/dbraw/zinc/91/05/63/568910563.db2.gz AJKFYPAMCYVYIK-UHFFFAOYSA-N 1 2 410.396 2.816 50 0 HFAALO CCCCOc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](S(=O)(=O)NC4CC4)C3)o2)cc1 ZINC000084746709 568957934 /nfs/dbraw/zinc/95/79/34/568957934.db2.gz YQWWZKFDCQPVBA-GOSISDBHSA-N 1 2 420.535 2.572 50 0 HFAALO CCCCOc1ccc(-c2nnc(C[N@H+]3CC[C@@H](S(=O)(=O)NC4CC4)C3)o2)cc1 ZINC000084746709 568957935 /nfs/dbraw/zinc/95/79/35/568957935.db2.gz YQWWZKFDCQPVBA-GOSISDBHSA-N 1 2 420.535 2.572 50 0 HFAALO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000013019613 569051012 /nfs/dbraw/zinc/05/10/12/569051012.db2.gz UNRFDZGRKGYCCH-UHFFFAOYSA-N 1 2 406.389 2.805 50 0 HFAALO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c2c1c(C)n[nH]c2=O ZINC000013019613 569051013 /nfs/dbraw/zinc/05/10/13/569051013.db2.gz UNRFDZGRKGYCCH-UHFFFAOYSA-N 1 2 406.389 2.805 50 0 HFAALO CCCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCc1nc(-c2cnccn2)n[nH]1 ZINC000426547514 569073367 /nfs/dbraw/zinc/07/33/67/569073367.db2.gz CBTAJZDJMWZEGJ-INIZCTEOSA-N 1 2 404.478 2.831 50 0 HFAALO Cc1nnc(CN(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)o1 ZINC000426724043 569074055 /nfs/dbraw/zinc/07/40/55/569074055.db2.gz UNSSHUPGALMWLV-UHFFFAOYSA-N 1 2 401.492 2.875 50 0 HFAALO Cc1nnc(CN(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)o1 ZINC000426724043 569074056 /nfs/dbraw/zinc/07/40/56/569074056.db2.gz UNSSHUPGALMWLV-UHFFFAOYSA-N 1 2 401.492 2.875 50 0 HFAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC(=O)NC(C)C)csc3C2)nc1 ZINC000426737329 569074078 /nfs/dbraw/zinc/07/40/78/569074078.db2.gz CXRUUULWRCJLMG-UHFFFAOYSA-N 1 2 400.548 2.518 50 0 HFAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC(=O)NC(C)C)csc3C2)nc1 ZINC000426737329 569074079 /nfs/dbraw/zinc/07/40/79/569074079.db2.gz CXRUUULWRCJLMG-UHFFFAOYSA-N 1 2 400.548 2.518 50 0 HFAALO CCOC(=O)C1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)CC1 ZINC000006612658 569074275 /nfs/dbraw/zinc/07/42/75/569074275.db2.gz JTXPKGMUXQBNKZ-CYBMUJFWSA-N 1 2 422.547 2.873 50 0 HFAALO CC[C@@H](C)CN1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000036024578 569077621 /nfs/dbraw/zinc/07/76/21/569077621.db2.gz NASPXEWCEVURFL-IEBWSBKVSA-N 1 2 407.580 2.670 50 0 HFAALO C[C@H](NC(=O)Cn1c[nH+]c2cc3c(cc21)OCCO3)c1ccc2c(c1)OCCCO2 ZINC000064794712 569096250 /nfs/dbraw/zinc/09/62/50/569096250.db2.gz SZVUCJSAPFSMME-AWEZNQCLSA-N 1 2 409.442 2.846 50 0 HFAALO O=C(NCc1ccccn1)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000036253396 569119852 /nfs/dbraw/zinc/11/98/52/569119852.db2.gz WDKULEPSONFHNY-QFIPXVFZSA-N 1 2 406.530 2.715 50 0 HFAALO COc1ccc(CC(=O)N2CC[NH+]([C@H](C(=O)NCC(C)C)C3CCCC3)CC2)cc1 ZINC000036251528 569119979 /nfs/dbraw/zinc/11/99/79/569119979.db2.gz ZVQQKMQUXRJDHV-QHCPKHFHSA-N 1 2 415.578 2.713 50 0 HFAALO COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH+]1CCN(c2ncccn2)CC1 ZINC000169681428 569127493 /nfs/dbraw/zinc/12/74/93/569127493.db2.gz KKZSMCYCCITKIF-UHFFFAOYSA-N 1 2 407.518 2.836 50 0 HFAALO Cc1c(C)c(=O)oc2c(C)c(OCC(=O)N3CC[NH+](Cc4ccncc4)CC3)ccc12 ZINC000036365291 569152170 /nfs/dbraw/zinc/15/21/70/569152170.db2.gz VFOMBXFPGIGDQC-UHFFFAOYSA-N 1 2 421.497 2.836 50 0 HFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC3 ZINC000065034971 569158625 /nfs/dbraw/zinc/15/86/25/569158625.db2.gz IQESGDFLIANGIM-UHFFFAOYSA-N 1 2 419.481 2.913 50 0 HFAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC3 ZINC000065034971 569158627 /nfs/dbraw/zinc/15/86/27/569158627.db2.gz IQESGDFLIANGIM-UHFFFAOYSA-N 1 2 419.481 2.913 50 0 HFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)CC1 ZINC000036389637 569165458 /nfs/dbraw/zinc/16/54/58/569165458.db2.gz SYCDKVLQKQWOGG-UHFFFAOYSA-N 1 2 423.538 2.957 50 0 HFAALO O=S(=O)(c1cc(-c2nnc(C3CCC3)o2)co1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065246656 569205684 /nfs/dbraw/zinc/20/56/84/569205684.db2.gz PBNKBQGFGSFZLH-UHFFFAOYSA-N 1 2 415.475 2.503 50 0 HFAALO O=C(c1ccsc1)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293312 569218370 /nfs/dbraw/zinc/21/83/70/569218370.db2.gz NFNMUUPJFFVFFN-LJQANCHMSA-N 1 2 401.507 2.836 50 0 HFAALO O=C(c1ccsc1)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000065293312 569218372 /nfs/dbraw/zinc/21/83/72/569218372.db2.gz NFNMUUPJFFVFFN-LJQANCHMSA-N 1 2 401.507 2.836 50 0 HFAALO COc1ccc(CCS(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700351 569222801 /nfs/dbraw/zinc/22/28/01/569222801.db2.gz GBAXKWDULPEUFV-QFIPXVFZSA-N 1 2 418.559 2.621 50 0 HFAALO COc1ccc(CCS(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000036700351 569222802 /nfs/dbraw/zinc/22/28/02/569222802.db2.gz GBAXKWDULPEUFV-QFIPXVFZSA-N 1 2 418.559 2.621 50 0 HFAALO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000007599665 569288243 /nfs/dbraw/zinc/28/82/43/569288243.db2.gz ASXIFVASXIXGFX-UHFFFAOYSA-N 1 2 409.558 2.970 50 0 HFAALO CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1ccc(OC)cc1 ZINC000007904674 569320469 /nfs/dbraw/zinc/32/04/69/569320469.db2.gz FCVQBKJHNLTFFA-UHFFFAOYSA-N 1 2 412.490 2.921 50 0 HFAALO CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1ccc(OC)cc1 ZINC000007904674 569320471 /nfs/dbraw/zinc/32/04/71/569320471.db2.gz FCVQBKJHNLTFFA-UHFFFAOYSA-N 1 2 412.490 2.921 50 0 HFAALO COc1ccc(-c2c3c(cn2-c2ccc([NH+](C)C)cc2)n(C)c(=O)n(C)c3=O)cc1 ZINC000002437135 569399747 /nfs/dbraw/zinc/39/97/47/569399747.db2.gz FBYWPZADFUTYDO-UHFFFAOYSA-N 1 2 404.470 2.770 50 0 HFAALO Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328594955 569415960 /nfs/dbraw/zinc/41/59/60/569415960.db2.gz GPZUNFDMGAAZIL-SJORKVTESA-N 1 2 408.424 2.933 50 0 HFAALO Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328594955 569415961 /nfs/dbraw/zinc/41/59/61/569415961.db2.gz GPZUNFDMGAAZIL-SJORKVTESA-N 1 2 408.424 2.933 50 0 HFAALO COc1ccccc1N1C(=O)C(Cl)=C(N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019358621 569420219 /nfs/dbraw/zinc/42/02/19/569420219.db2.gz DBEZMHKFISLLJJ-UHFFFAOYSA-N 1 2 411.889 2.837 50 0 HFAALO CS(=O)(=O)N[C@H]1CCC[N@H+](Cn2ncc3c2cccc3OCc2ccccc2)C1 ZINC000078876039 569421205 /nfs/dbraw/zinc/42/12/05/569421205.db2.gz OMKJEESZVAZPNW-SFHVURJKSA-N 1 2 414.531 2.586 50 0 HFAALO CS(=O)(=O)N[C@H]1CCC[N@@H+](Cn2ncc3c2cccc3OCc2ccccc2)C1 ZINC000078876039 569421206 /nfs/dbraw/zinc/42/12/06/569421206.db2.gz OMKJEESZVAZPNW-SFHVURJKSA-N 1 2 414.531 2.586 50 0 HFAALO CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000079023573 569424650 /nfs/dbraw/zinc/42/46/50/569424650.db2.gz YBJDJIPTQYUMBT-GJZGRUSLSA-N 1 2 404.492 2.532 50 0 HFAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000039990669 571137060 /nfs/dbraw/zinc/13/70/60/571137060.db2.gz FXYHLHYFRGDZDP-GFCCVEGCSA-N 1 2 412.471 2.510 50 0 HFAALO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000039990669 571137062 /nfs/dbraw/zinc/13/70/62/571137062.db2.gz FXYHLHYFRGDZDP-GFCCVEGCSA-N 1 2 412.471 2.510 50 0 HFAALO C[C@H](Sc1nncs1)C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000040135204 571188010 /nfs/dbraw/zinc/18/80/10/571188010.db2.gz XSSJKXZMMWBWDU-ZDUSSCGKSA-N 1 2 412.968 2.895 50 0 HFAALO COc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(C(=O)N(C)C)cc1OC ZINC000040145694 571195929 /nfs/dbraw/zinc/19/59/29/571195929.db2.gz FBNQCIMWLRHGEM-SFHVURJKSA-N 1 2 417.510 2.839 50 0 HFAALO O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000040154766 571202212 /nfs/dbraw/zinc/20/22/12/571202212.db2.gz ICJWMXZMHFZVAU-UHFFFAOYSA-N 1 2 421.476 2.618 50 0 HFAALO CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)C2(CCCCC2)[NH2+]3)cc1 ZINC000040158381 571204993 /nfs/dbraw/zinc/20/49/93/571204993.db2.gz ZAEDVVQPEWPEKW-UHFFFAOYSA-N 1 2 405.564 2.713 50 0 HFAALO O=C(CCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)NCCCn1cc[nH+]c1 ZINC000009187762 571235250 /nfs/dbraw/zinc/23/52/50/571235250.db2.gz QGBXLROPDDMGTO-FOWTUZBSSA-N 1 2 402.451 2.655 50 0 HFAALO COc1cccc(CN2C(SCc3ccccc3)=[NH+][C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000009486148 571262432 /nfs/dbraw/zinc/26/24/32/571262432.db2.gz AQSSONOTGHCQLM-OALUTQOASA-N 1 2 402.541 2.966 50 0 HFAALO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(Cc2cn3cc(Cl)ccc3[nH+]2)C1=O ZINC000009550231 571268167 /nfs/dbraw/zinc/26/81/67/571268167.db2.gz LKVZBLADTXSATF-HXUWFJFHSA-N 1 2 412.833 2.726 50 0 HFAALO COc1ccc([C@H](NC(=O)CCc2nc(-c3ccncc3)no2)c2[nH+]ccn2C)cc1 ZINC000010322926 571300252 /nfs/dbraw/zinc/30/02/52/571300252.db2.gz UFCSATDNYTTXBW-FQEVSTJZSA-N 1 2 418.457 2.712 50 0 HFAALO CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)c(C)s2)no1 ZINC000035479747 571316802 /nfs/dbraw/zinc/31/68/02/571316802.db2.gz UCHGKCROCQJGTK-UHFFFAOYSA-N 1 2 419.532 2.575 50 0 HFAALO