smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC ZINC000005010319 539399421 /nfs/dbraw/zinc/39/94/21/539399421.db2.gz GVOZKRLLOJPRDA-CVEARBPZSA-N 1 0 370.449 2.493 50 0 FEAARO COc1ccc2[nH+]c(C)cc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000008491242 539487649 /nfs/dbraw/zinc/48/76/49/539487649.db2.gz JHNUZFMOOSCPHZ-UHFFFAOYSA-N 1 0 371.462 2.276 50 0 FEAARO Cn1ccnc1SCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000011664047 539531690 /nfs/dbraw/zinc/53/16/90/539531690.db2.gz QSGSWTWXLALWPO-UHFFFAOYSA-N 1 0 357.439 2.421 50 0 FEAARO O=C(Cn1nc(Cl)ccc1=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011843707 539537675 /nfs/dbraw/zinc/53/76/75/539537675.db2.gz SSBKTFVDDZMSDE-OAHLLOKOSA-N 1 0 366.893 2.058 50 0 FEAARO COc1ccc(C[NH2+]CCn2cc(C(=O)NCc3cccs3)nn2)cc1 ZINC000011997310 539540016 /nfs/dbraw/zinc/54/00/16/539540016.db2.gz YWRRKIYKFNSPCV-UHFFFAOYSA-N 1 0 371.466 2.068 50 0 FEAARO CS(=O)(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012072840 539541654 /nfs/dbraw/zinc/54/16/54/539541654.db2.gz XNQZGBDGCCZECQ-AWEZNQCLSA-N 1 0 358.454 2.458 50 0 FEAARO O=C(Nc1ccc2c(c1)C[N@@H+](CCCn1cccn1)CC2)[C@@H]1CCCO1 ZINC000012300314 539553213 /nfs/dbraw/zinc/55/32/13/539553213.db2.gz DEMTVAXXRFPLIW-IBGZPJMESA-N 1 0 354.454 2.449 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 ZINC000012438709 539560540 /nfs/dbraw/zinc/56/05/40/539560540.db2.gz CQDZDYASHVGAFJ-NSHDSACASA-N 1 0 351.353 2.308 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000012597005 539567111 /nfs/dbraw/zinc/56/71/11/539567111.db2.gz KBHMAAKUGWNJCI-IBGZPJMESA-N 1 0 373.497 2.431 50 0 FEAARO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014539689 539603817 /nfs/dbraw/zinc/60/38/17/539603817.db2.gz LOWUTPBRJNYKGV-NHCUHLMSSA-N 1 0 373.541 2.229 50 0 FEAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCCCn1ccnc1)C[C@@H](C)O2 ZINC000014995057 539609133 /nfs/dbraw/zinc/60/91/33/539609133.db2.gz QYCKLEBBBSZSIQ-QGZVFWFLSA-N 1 0 356.470 2.371 50 0 FEAARO CC(C)S(=O)(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000015063746 539610826 /nfs/dbraw/zinc/61/08/26/539610826.db2.gz PWIHTMVJMQORJW-GOSISDBHSA-N 1 0 351.516 2.354 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000015068857 539610869 /nfs/dbraw/zinc/61/08/69/539610869.db2.gz DGJSHTJGAAKHQA-HNNXBMFYSA-N 1 0 373.472 2.421 50 0 FEAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016024597 539626857 /nfs/dbraw/zinc/62/68/57/539626857.db2.gz IFSJXCYDBHORNJ-VPCSNGCSSA-N 1 0 373.428 2.001 50 0 FEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3cccc(OC)c3)C2=O)cc1 ZINC000019556288 539661442 /nfs/dbraw/zinc/66/14/42/539661442.db2.gz QFWRFBNGXFLFID-GOSISDBHSA-N 1 0 354.406 2.168 50 0 FEAARO CC[C@@H](c1n[nH]c2c1CN(C(=O)C[C@@H]1C[NH2+]CCO1)CC2)c1ccccc1 ZINC000023619419 539717503 /nfs/dbraw/zinc/71/75/03/539717503.db2.gz ZJRLKLWPWNPSPE-IAGOWNOFSA-N 1 0 368.481 2.215 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccsc1 ZINC000025331965 539755738 /nfs/dbraw/zinc/75/57/38/539755738.db2.gz SGLXLUUHNKTONM-HNNXBMFYSA-N 1 0 367.496 2.152 50 0 FEAARO CC[NH+]1CCN(c2ccc(NC(=O)CNC(=O)C(C)(C)C)c(C)c2)CC1 ZINC000029375435 539852230 /nfs/dbraw/zinc/85/22/30/539852230.db2.gz OKPAMCIQYQQALM-UHFFFAOYSA-N 1 0 360.502 2.238 50 0 FEAARO CCCC1N=NC(=S)N1CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000029837484 539865886 /nfs/dbraw/zinc/86/58/86/539865886.db2.gz ALJVQKKVCSTCHA-AWEZNQCLSA-N 1 0 365.478 2.078 50 0 FEAARO C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000029835953 539866441 /nfs/dbraw/zinc/86/64/41/539866441.db2.gz HJLFUWASFISRHP-KSSFIOAISA-N 1 0 357.429 2.363 50 0 FEAARO COc1ccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c(OC)c1OC ZINC000030900359 539893800 /nfs/dbraw/zinc/89/38/00/539893800.db2.gz MWXRQXGPEURHKD-UHFFFAOYSA-N 1 0 373.453 2.234 50 0 FEAARO C[NH+](C)Cc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000031232454 539901971 /nfs/dbraw/zinc/90/19/71/539901971.db2.gz KHWOGQYLEYUQHW-UHFFFAOYSA-N 1 0 373.478 2.323 50 0 FEAARO Cc1nc2sc3c(c2c2nc(OCC[NH+](C)C)nn21)CC(C)(C)OC3 ZINC000031816195 539920295 /nfs/dbraw/zinc/92/02/95/539920295.db2.gz NNIYOLDQPFPXEA-UHFFFAOYSA-N 1 0 361.471 2.439 50 0 FEAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000033264331 539972802 /nfs/dbraw/zinc/97/28/02/539972802.db2.gz YOAJNEBXCWEMDE-GOSISDBHSA-N 1 0 360.502 2.275 50 0 FEAARO Cn1nc2nc(N3CC[NH+](C)CC3)nc(-c3ccccc3Cl)c2c1N ZINC000035929803 539984673 /nfs/dbraw/zinc/98/46/73/539984673.db2.gz QVJSOMWRHHVQBS-UHFFFAOYSA-N 1 0 357.849 2.018 50 0 FEAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000040089768 540005526 /nfs/dbraw/zinc/00/55/26/540005526.db2.gz ZDOIXBQWRUAGMC-UHFFFAOYSA-N 1 0 355.457 2.432 50 0 FEAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000044502379 540128938 /nfs/dbraw/zinc/12/89/38/540128938.db2.gz KGEVUFHVSCWLTQ-VIFPVBQESA-N 1 0 367.696 2.380 50 0 FEAARO O=C(NCCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049172633 540383355 /nfs/dbraw/zinc/38/33/55/540383355.db2.gz UKBWSSQVIBIADE-MRXNPFEDSA-N 1 0 373.419 2.394 50 0 FEAARO COc1ccc(CCNC(=[NH2+])NC[C@H](O)c2cc(OC)ccc2OC)cc1 ZINC000058326918 540839407 /nfs/dbraw/zinc/83/94/07/540839407.db2.gz IFZDTGMEBLLXGN-SFHVURJKSA-N 1 0 373.453 2.102 50 0 FEAARO COc1ccc(-c2cc(CNC(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)on2)cc1 ZINC000299800510 223104697 /nfs/dbraw/zinc/10/46/97/223104697.db2.gz SYRPSBGQSPYLQJ-GOSISDBHSA-N 1 0 373.453 2.466 50 0 FEAARO C/C=C(\C)C[NH+]1CCC([C@@]2(Cc3cccc(OC)c3)NC(=O)NC2=O)CC1 ZINC000067895810 541526448 /nfs/dbraw/zinc/52/64/48/541526448.db2.gz NMOOORDYFWPXNJ-LTVHSIDISA-N 1 0 371.481 2.494 50 0 FEAARO O=C1NC(=O)[C@](c2cccnc2)(C2CC[NH+](CCc3ccccc3)CC2)N1 ZINC000067982164 541535516 /nfs/dbraw/zinc/53/55/16/541535516.db2.gz QCGMIXLALGKMNC-OAQYLSRUSA-N 1 0 364.449 2.071 50 0 FEAARO Cn1c(=O)c2c(sc3c2-c2ccccc2CC3)n(CC[NH+](C)C)c1=O ZINC000071280790 541766004 /nfs/dbraw/zinc/76/60/04/541766004.db2.gz QDFZSVFPMYDKQY-UHFFFAOYSA-N 1 0 355.463 2.089 50 0 FEAARO COC(=O)c1sccc1NC(=O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000071775381 541772267 /nfs/dbraw/zinc/77/22/67/541772267.db2.gz VHWMWJJQGKRBPD-UHFFFAOYSA-N 1 0 365.499 2.424 50 0 FEAARO O=C(NC[C@@H]1CC[NH2+]C[C@H]1O)c1cccc2c1C(=O)c1cc(Cl)ccc1-2 ZINC000072127217 541784287 /nfs/dbraw/zinc/78/42/87/541784287.db2.gz ZVLWZXFDUMGAGI-APPDUMDISA-N 1 0 370.836 2.252 50 0 FEAARO CN1CC2(CCN(C(=O)c3ccc(C[C@@H]4CCC[NH2+]C4)cc3)CC2)OC1=O ZINC000072137128 541786387 /nfs/dbraw/zinc/78/63/87/541786387.db2.gz DWNLDDPEJMZUQO-KRWDZBQOSA-N 1 0 371.481 2.286 50 0 FEAARO Cn1ncc2c1nc(C1CCCC1)nc2NC[C@@H](O)C[NH+]1CCCCC1 ZINC000072144790 541788068 /nfs/dbraw/zinc/78/80/68/541788068.db2.gz UYFHZIBBMLYBLG-OAHLLOKOSA-N 1 0 358.490 2.280 50 0 FEAARO Cn1cc(C[N@@H+]2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072149665 541789177 /nfs/dbraw/zinc/78/91/77/541789177.db2.gz LKGLUXOJMJIHIO-DUXKGJEZSA-N 1 0 366.465 2.211 50 0 FEAARO O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072149818 541788984 /nfs/dbraw/zinc/78/89/84/541788984.db2.gz HAOWTXOJULYFMC-SFHVURJKSA-N 1 0 354.454 2.138 50 0 FEAARO Cn1cc(CC(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c2ccccc21 ZINC000072150048 541789789 /nfs/dbraw/zinc/78/97/89/541789789.db2.gz BOVTVSDXFFPMGH-GOSISDBHSA-N 1 0 355.482 2.169 50 0 FEAARO OC[C@H]1CC[N@H+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)C[C@H]1O ZINC000072150416 541789927 /nfs/dbraw/zinc/78/99/27/541789927.db2.gz POEWOXHSQMCSKO-CRAIPNDOSA-N 1 0 355.413 2.316 50 0 FEAARO CC(=O)N1CC[C@H]2[N@H+](CCCOCc3ccccc3)CCC[C@]2(CO)C1 ZINC000072157338 541791833 /nfs/dbraw/zinc/79/18/33/541791833.db2.gz SECQTAKJCGCEEV-NHCUHLMSSA-N 1 0 360.498 2.289 50 0 FEAARO O=C(CCN1CCCC1=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072163400 541793456 /nfs/dbraw/zinc/79/34/56/541793456.db2.gz VSQHPCYEVUSESS-STZQEDGTSA-N 1 0 367.493 2.088 50 0 FEAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNS(=O)(=O)NCc2ccccc2)C1 ZINC000072164904 541793517 /nfs/dbraw/zinc/79/35/17/541793517.db2.gz RCLPJNDINMBYLA-LJQANCHMSA-N 1 0 373.522 2.441 50 0 FEAARO Cc1c(F)cccc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072164031 541793530 /nfs/dbraw/zinc/79/35/30/541793530.db2.gz QKFKSJBJPVEZTH-NRFANRHFSA-N 1 0 367.424 2.110 50 0 FEAARO Cn1ncc2c1nc(C(C)(C)C)nc2NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000072163671 541793043 /nfs/dbraw/zinc/79/30/43/541793043.db2.gz UUVUVACJSVLASE-CQSZACIVSA-N 1 0 360.506 2.167 50 0 FEAARO c1c(CN2CCC(c3nc(-c4ccccc4)no3)CC2)nn2c1C[NH2+]CC2 ZINC000072168058 541794957 /nfs/dbraw/zinc/79/49/57/541794957.db2.gz SYMLCUIUFXYJGQ-UHFFFAOYSA-N 1 0 364.453 2.416 50 0 FEAARO CC[NH+](CC)[C@@H]1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000072304977 541798399 /nfs/dbraw/zinc/79/83/99/541798399.db2.gz JYSRBIVQRLSWPA-LSDHHAIUSA-N 1 0 353.457 2.428 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3nc(C(C)C)cs3)CC[C@H]21 ZINC000072407604 541805628 /nfs/dbraw/zinc/80/56/28/541805628.db2.gz AIHFRTNAQZQOMY-GOEBONIOSA-N 1 0 350.532 2.299 50 0 FEAARO Cc1c(O)cccc1C(=O)N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072411581 541807625 /nfs/dbraw/zinc/80/76/25/541807625.db2.gz LBWRKGKPJKXPAS-NRFANRHFSA-N 1 0 373.497 2.107 50 0 FEAARO Cc1cc(=O)c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c[nH]1 ZINC000072410864 541807660 /nfs/dbraw/zinc/80/76/60/541807660.db2.gz HQPHTPWHXXGMSJ-UHFFFAOYSA-N 1 0 353.466 2.464 50 0 FEAARO Cc1nc2c(s1)CCC[C@@H]2NC(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072417873 541808446 /nfs/dbraw/zinc/80/84/46/541808446.db2.gz JDDLNNMTZVPTAC-HNNXBMFYSA-N 1 0 359.499 2.268 50 0 FEAARO CN1CCC(CNC(=O)c2cccc(CCC(C)(C)O)c2)([NH+](C)C)CC1 ZINC000072420199 541808900 /nfs/dbraw/zinc/80/89/00/541808900.db2.gz IBEOGAUQNCPNPN-UHFFFAOYSA-N 1 0 361.530 2.146 50 0 FEAARO Cc1nn(CCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c(C)c1Cl ZINC000072428191 541812093 /nfs/dbraw/zinc/81/20/93/541812093.db2.gz YRJPUUFFLPAXTD-UHFFFAOYSA-N 1 0 359.865 2.407 50 0 FEAARO Cc1ccnc([C@H](NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)C2CC2)c1 ZINC000072439792 541815048 /nfs/dbraw/zinc/81/50/48/541815048.db2.gz YOEKKOBNTNYYMS-HXUWFJFHSA-N 1 0 353.470 2.280 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000299763183 203754847 /nfs/dbraw/zinc/75/48/47/203754847.db2.gz YYOKFIPPJMOKFR-CQSZACIVSA-N 1 0 370.453 2.264 50 0 FEAARO O=C(c1cnc[nH]c1=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072429482 541811458 /nfs/dbraw/zinc/81/14/58/541811458.db2.gz ZPNIIIYMMCDBDG-NRFANRHFSA-N 1 0 366.465 2.288 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000072454508 541817113 /nfs/dbraw/zinc/81/71/13/541817113.db2.gz QUXJDGTVQDMPTH-JKSUJKDBSA-N 1 0 371.510 2.242 50 0 FEAARO c1csc(CCNc2ncnc3c2CCN([C@H]2CCC[NH2+]C2)CC3)c1 ZINC000072454446 541815921 /nfs/dbraw/zinc/81/59/21/541815921.db2.gz MARRTPDVPRLIFY-HNNXBMFYSA-N 1 0 357.527 2.345 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc(Cl)s3)CC[C@H]21 ZINC000072479368 541821571 /nfs/dbraw/zinc/82/15/71/541821571.db2.gz NCAUOMJWBIVENW-NWDGAFQWSA-N 1 0 355.891 2.074 50 0 FEAARO CC[C@@H](Cn1ccnc1)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]CC2 ZINC000072479021 541821752 /nfs/dbraw/zinc/82/17/52/541821752.db2.gz LSAILNHVGIMILX-INIZCTEOSA-N 1 0 363.469 2.314 50 0 FEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)sc1C ZINC000133175956 203803600 /nfs/dbraw/zinc/80/36/00/203803600.db2.gz WPYNKTQGJSWDCU-SECBINFHSA-N 1 0 353.307 2.192 50 0 FEAARO Cc1nccn1Cc1ccccc1NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072481515 541822653 /nfs/dbraw/zinc/82/26/53/541822653.db2.gz FJPMXVHCLODCGC-UHFFFAOYSA-N 1 0 364.453 2.111 50 0 FEAARO CCC[C@H](Nc1nc(COCC)nc2c1CC[NH2+]CC2)c1nccn1C ZINC000072477063 541819552 /nfs/dbraw/zinc/81/95/52/541819552.db2.gz IRRKZNOMOVNMIT-INIZCTEOSA-N 1 0 358.490 2.388 50 0 FEAARO C[C@H]1CCCc2sc3ncn4nc(C(=O)NCC[NH+](C)C)nc4c3c21 ZINC000002348539 204035469 /nfs/dbraw/zinc/03/54/69/204035469.db2.gz YOBNPDDGTGZJPC-JTQLQIEISA-N 1 0 358.471 2.070 50 0 FEAARO COc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000004134353 204123823 /nfs/dbraw/zinc/12/38/23/204123823.db2.gz QQLBFRJGUTTXGN-UHFFFAOYSA-N 1 0 356.488 2.291 50 0 FEAARO COc1c(C)cnc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000004626521 204152261 /nfs/dbraw/zinc/15/22/61/204152261.db2.gz MQWKAXVEPPAFCN-UHFFFAOYSA-N 1 0 360.502 2.013 50 0 FEAARO COc1cc2[nH]c(C(=O)N(C)C3CC[NH+](C)CC3)cc2c(OC)c1OC ZINC000005345736 204205231 /nfs/dbraw/zinc/20/52/31/204205231.db2.gz GWJMEDYYTNDKMB-UHFFFAOYSA-N 1 0 361.442 2.360 50 0 FEAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006882149 204280082 /nfs/dbraw/zinc/28/00/82/204280082.db2.gz CHTTWFRTFVFGMI-CQSZACIVSA-N 1 0 361.467 2.101 50 0 FEAARO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C[NH2+]C(C)(C)C ZINC000007988181 204313805 /nfs/dbraw/zinc/31/38/05/204313805.db2.gz LVBIUFLHPLKIHX-UHFFFAOYSA-N 1 0 369.487 2.262 50 0 FEAARO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCC(=O)NC(C)(C)C ZINC000008337082 204327241 /nfs/dbraw/zinc/32/72/41/204327241.db2.gz KPVNGZLDUUQFQC-OAHLLOKOSA-N 1 0 352.475 2.239 50 0 FEAARO COCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000009194016 204358284 /nfs/dbraw/zinc/35/82/84/204358284.db2.gz XYWZRXHNDMJFLE-UHFFFAOYSA-N 1 0 355.398 2.199 50 0 FEAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000011709045 204412558 /nfs/dbraw/zinc/41/25/58/204412558.db2.gz SAMHIDFOKALTTO-UHFFFAOYSA-N 1 0 362.470 2.213 50 0 FEAARO COC(=O)c1sc(NC(=O)CC[NH+]2CCCC2)c(C(=O)OC)c1C ZINC000010035371 204390492 /nfs/dbraw/zinc/39/04/92/204390492.db2.gz FXZJPRCAXXKSIQ-UHFFFAOYSA-N 1 0 354.428 2.054 50 0 FEAARO COCCNC(=O)c1cccc(OC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000012442739 204465255 /nfs/dbraw/zinc/46/52/55/204465255.db2.gz MUZMXNSAAQZASG-UHFFFAOYSA-N 1 0 362.470 2.085 50 0 FEAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](C(C)C)CC3)cc1 ZINC000014732079 204585941 /nfs/dbraw/zinc/58/59/41/204585941.db2.gz CDGSEOLMMTXVCT-UHFFFAOYSA-N 1 0 359.470 2.375 50 0 FEAARO Cc1cnc(CNC(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)cn1 ZINC000015073678 204602358 /nfs/dbraw/zinc/60/23/58/204602358.db2.gz RWTWRACLOXRHKB-UHFFFAOYSA-N 1 0 350.466 2.425 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)c1ccco1)Cc1ccccc1 ZINC000023196893 204798952 /nfs/dbraw/zinc/79/89/52/204798952.db2.gz AWJHYEMMZZPQGZ-GOSISDBHSA-N 1 0 371.481 2.469 50 0 FEAARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)sc2[nH]cnc(=O)c12 ZINC000079191191 205058766 /nfs/dbraw/zinc/05/87/66/205058766.db2.gz MTRQIYCIQFNYAL-QWHCGFSZSA-N 1 0 360.483 2.287 50 0 FEAARO COc1cccc(C[NH2+]C[C@H](C)O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743982 205080194 /nfs/dbraw/zinc/08/01/94/205080194.db2.gz SRLKMPUYKVMNNE-HNNXBMFYSA-N 1 0 358.438 2.492 50 0 FEAARO CSc1ccc(CN(CCO)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000055383402 205216997 /nfs/dbraw/zinc/21/69/97/205216997.db2.gz PVMBVGROGAYKLM-LJQANCHMSA-N 1 0 356.491 2.444 50 0 FEAARO CN(C)c1ncc(C[NH2+][C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)s1 ZINC000055226993 205211541 /nfs/dbraw/zinc/21/15/41/205211541.db2.gz KVQSLQBNQUKHCK-OAHLLOKOSA-N 1 0 356.495 2.067 50 0 FEAARO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC000056993633 205234451 /nfs/dbraw/zinc/23/44/51/205234451.db2.gz FTTSMDXSIQEZMY-UHFFFAOYSA-N 1 0 352.482 2.409 50 0 FEAARO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc21 ZINC000057558179 205242837 /nfs/dbraw/zinc/24/28/37/205242837.db2.gz YJQNKONSOONSKJ-UHFFFAOYSA-N 1 0 365.393 2.285 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1 ZINC000055393645 205217441 /nfs/dbraw/zinc/21/74/41/205217441.db2.gz HWOJJRJLWRVUOQ-HNNXBMFYSA-N 1 0 359.470 2.042 50 0 FEAARO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1COc2ccccc2C1 ZINC000058165876 205251691 /nfs/dbraw/zinc/25/16/91/205251691.db2.gz XJGRNPIMQNXQOB-INIZCTEOSA-N 1 0 354.450 2.495 50 0 FEAARO CC(C)(C)OC(=O)NCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000063545741 205293904 /nfs/dbraw/zinc/29/39/04/205293904.db2.gz DCQONNARPNQINN-CQSZACIVSA-N 1 0 366.462 2.240 50 0 FEAARO Cc1ccc2c(c1)CCCN2C(=O)C[NH2+]Cc1cccnc1-n1cncn1 ZINC000065433995 205349875 /nfs/dbraw/zinc/34/98/75/205349875.db2.gz FGTBOXIUKCSTLS-UHFFFAOYSA-N 1 0 362.437 2.040 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3scc4c3CCCC4)CC2)nc(N)[nH+]1 ZINC000065458150 205351564 /nfs/dbraw/zinc/35/15/64/205351564.db2.gz NVTOZZHZODXUSO-UHFFFAOYSA-N 1 0 357.483 2.270 50 0 FEAARO COc1cc(NC(=O)C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)cc(OC)c1 ZINC000065470056 205354318 /nfs/dbraw/zinc/35/43/18/205354318.db2.gz WPFTVTUELMXARS-HNNXBMFYSA-N 1 0 358.442 2.251 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065497338 205355209 /nfs/dbraw/zinc/35/52/09/205355209.db2.gz WIHQJLBTFILOND-CYBMUJFWSA-N 1 0 353.413 2.166 50 0 FEAARO Cc1cc(C)n(CC[C@H]2CC(=O)Nc3c2cnn3C2CC[NH+](C)CC2)n1 ZINC000065507352 205356879 /nfs/dbraw/zinc/35/68/79/205356879.db2.gz LWGOIDWMFNXOLE-HNNXBMFYSA-N 1 0 356.474 2.479 50 0 FEAARO CCN(c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)S(=O)(=O)CC ZINC000065362388 205338593 /nfs/dbraw/zinc/33/85/93/205338593.db2.gz LQTOINGVUNYBGN-UHFFFAOYSA-N 1 0 367.515 2.078 50 0 FEAARO CCNc1cc(N2CCN(C(=O)c3cccc(OC)c3)CC2)nc(C)[nH+]1 ZINC000065362013 205338777 /nfs/dbraw/zinc/33/87/77/205338777.db2.gz JTALAQPURYACNH-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO Cc1ccsc1[C@@H](CNC(=O)c1cc2n(n1)CCCN(C)C2)[NH+](C)C ZINC000065370991 205338993 /nfs/dbraw/zinc/33/89/93/205338993.db2.gz MKFRCXZDINDYJS-MRXNPFEDSA-N 1 0 361.515 2.121 50 0 FEAARO O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cc2n(n1)CCC[NH2+]C2 ZINC000065370558 205339450 /nfs/dbraw/zinc/33/94/50/205339450.db2.gz LTFRUKPAWTXHPW-IEBWSBKVSA-N 1 0 354.454 2.244 50 0 FEAARO O=c1c2c3c(sc2ncn1CCc1nc2c(s1)CCC2)C[NH2+]CC3 ZINC000065372891 205342178 /nfs/dbraw/zinc/34/21/78/205342178.db2.gz MKEKTKYITUMBQK-UHFFFAOYSA-N 1 0 358.492 2.292 50 0 FEAARO O=C(c1ccco1)N1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000065406387 205346132 /nfs/dbraw/zinc/34/61/32/205346132.db2.gz GHBJUCBNJMXTIG-UHFFFAOYSA-N 1 0 351.410 2.208 50 0 FEAARO CC[N@H+](Cc1cccc(C(=O)Nc2ncc(C)s2)c1)[C@H]1COC[C@@H]1O ZINC000065417427 205347793 /nfs/dbraw/zinc/34/77/93/205347793.db2.gz YKZLGJYVARIXOY-HOTGVXAUSA-N 1 0 361.467 2.285 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)Cc3ccccn3)cnn2c1 ZINC000067588053 205376924 /nfs/dbraw/zinc/37/69/24/205376924.db2.gz MOARWBLBMVBORY-UHFFFAOYSA-N 1 0 352.442 2.238 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000067622391 205378002 /nfs/dbraw/zinc/37/80/02/205378002.db2.gz ULWMYPNSHYPMJO-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1 ZINC000067714639 205385756 /nfs/dbraw/zinc/38/57/56/205385756.db2.gz VAJIBZYKSGETOZ-HNNXBMFYSA-N 1 0 352.442 2.157 50 0 FEAARO CCC[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)n1cccc1 ZINC000067713768 205386238 /nfs/dbraw/zinc/38/62/38/205386238.db2.gz HKZBTNUWXOFDBN-SFHVURJKSA-N 1 0 355.486 2.293 50 0 FEAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000067740788 205388140 /nfs/dbraw/zinc/38/81/40/205388140.db2.gz MRNVBTCMUTWDBU-GOSISDBHSA-N 1 0 372.513 2.301 50 0 FEAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCC(c2cccc(O)c2)CC1 ZINC000067757606 205388614 /nfs/dbraw/zinc/38/86/14/205388614.db2.gz LHCOTPCJGJSKPZ-OAHLLOKOSA-N 1 0 369.469 2.003 50 0 FEAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000067788086 205390651 /nfs/dbraw/zinc/39/06/51/205390651.db2.gz XQCISONSWZLIAB-ZDUSSCGKSA-N 1 0 373.409 2.006 50 0 FEAARO COC(=O)c1cc2n(n1)CCC[N@@H+]([C@H]1CCc3ccc(OC)cc3C1)C2 ZINC000067772194 205391197 /nfs/dbraw/zinc/39/11/97/205391197.db2.gz YCYKCHYIOBCESO-INIZCTEOSA-N 1 0 355.438 2.442 50 0 FEAARO COc1cccc(OCc2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000067817306 205394705 /nfs/dbraw/zinc/39/47/05/205394705.db2.gz PSFIGOMCHZARCR-HNNXBMFYSA-N 1 0 358.442 2.164 50 0 FEAARO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000067856232 205397450 /nfs/dbraw/zinc/39/74/50/205397450.db2.gz RVBUBVXAFQZXNJ-QGZVFWFLSA-N 1 0 369.513 2.450 50 0 FEAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CC[NH2+][C@H](C)C2)nc1 ZINC000067879391 205399489 /nfs/dbraw/zinc/39/94/89/205399489.db2.gz URJYHEBLHUHJIG-MRXNPFEDSA-N 1 0 370.501 2.020 50 0 FEAARO CN1c2ccccc2[C@@]2(CCC[N@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC000072152444 205485251 /nfs/dbraw/zinc/48/52/51/205485251.db2.gz VJJZBJCONNDPTL-NRFANRHFSA-N 1 0 357.498 2.107 50 0 FEAARO CO[C@H]1[C@H](NC(=O)Cc2ccc(O)cc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072409791 205533020 /nfs/dbraw/zinc/53/30/20/205533020.db2.gz CKUVSOQTDLQTPJ-RTWAWAEBSA-N 1 0 366.461 2.442 50 0 FEAARO Cc1cc(C)nc(CN(C)C(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)c1 ZINC000077459767 205603411 /nfs/dbraw/zinc/60/34/11/205603411.db2.gz RGPKLTCARRGZGU-MRXNPFEDSA-N 1 0 356.474 2.094 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@H]2CCCCN(C(=O)N3CCCC3)C2)CC1 ZINC000082115033 205644421 /nfs/dbraw/zinc/64/44/21/205644421.db2.gz ZQDJZQLUIKLRJQ-KRWDZBQOSA-N 1 0 366.506 2.267 50 0 FEAARO CCC[C@@H]1CN(Cc2ccc(OCC(N)=O)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000082086629 205640817 /nfs/dbraw/zinc/64/08/17/205640817.db2.gz GBSAOUDGVLPPJZ-GDBMZVCRSA-N 1 0 353.894 2.366 50 0 FEAARO CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000091462162 205674507 /nfs/dbraw/zinc/67/45/07/205674507.db2.gz VSZDKZBMIITUNI-OAHLLOKOSA-N 1 0 356.470 2.142 50 0 FEAARO Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)o1 ZINC000095498163 205768071 /nfs/dbraw/zinc/76/80/71/205768071.db2.gz LVGCRAFQPXIXMJ-INIZCTEOSA-N 1 0 359.474 2.459 50 0 FEAARO C[C@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000105682061 206008751 /nfs/dbraw/zinc/00/87/51/206008751.db2.gz WRBCFWLPJJFROZ-HUUCEWRRSA-N 1 0 359.474 2.458 50 0 FEAARO O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)COc2ccc(F)cc2)CCN1 ZINC000106629220 206014846 /nfs/dbraw/zinc/01/48/46/206014846.db2.gz BCSPZAAVPTZKOL-IEBWSBKVSA-N 1 0 358.413 2.129 50 0 FEAARO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236997760 206030814 /nfs/dbraw/zinc/03/08/14/206030814.db2.gz VAJDQRCSUKZWNR-QAPCUYQASA-N 1 0 356.470 2.488 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000237316781 206100078 /nfs/dbraw/zinc/10/00/78/206100078.db2.gz KHWNBXYUGXHKEC-SNVBAGLBSA-N 1 0 365.268 2.208 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000237362142 206101323 /nfs/dbraw/zinc/10/13/23/206101323.db2.gz QNPVKVANTJHNOE-UHFFFAOYSA-N 1 0 352.378 2.205 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cnn1-c1cccc(Br)c1 ZINC000237586407 206105872 /nfs/dbraw/zinc/10/58/72/206105872.db2.gz RCVUWWGDYGPXOH-NSHDSACASA-N 1 0 363.259 2.377 50 0 FEAARO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000237278285 206095548 /nfs/dbraw/zinc/09/55/48/206095548.db2.gz WQENKSUZZFZIQS-XJKSGUPXSA-N 1 0 361.873 2.293 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000237936780 206110733 /nfs/dbraw/zinc/11/07/33/206110733.db2.gz RMQKOFHYIWZKTM-BPLDGKMQSA-N 1 0 353.260 2.476 50 0 FEAARO Cc1ccc(N2C[C@@H](NC(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004373161 206175769 /nfs/dbraw/zinc/17/57/69/206175769.db2.gz VJXWZQNCVSZGEQ-KRWDZBQOSA-N 1 0 358.486 2.276 50 0 FEAARO C[N@H+](CCNC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1)Cc1ccccc1 ZINC000005123253 206190258 /nfs/dbraw/zinc/19/02/58/206190258.db2.gz MWOZCTNXJZQAAZ-GOSISDBHSA-N 1 0 366.465 2.223 50 0 FEAARO CC(C)[C@@H](C)NC(=O)CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000105646805 206232697 /nfs/dbraw/zinc/23/26/97/206232697.db2.gz VMPKLASRUQADHI-APWZRJJASA-N 1 0 357.498 2.196 50 0 FEAARO C[C@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000105682066 206232918 /nfs/dbraw/zinc/23/29/18/206232918.db2.gz WRBCFWLPJJFROZ-LSDHHAIUSA-N 1 0 359.474 2.458 50 0 FEAARO COc1ccccc1-n1cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)cn1 ZINC000104293916 206237321 /nfs/dbraw/zinc/23/73/21/206237321.db2.gz DGCLRLPWJIZJFG-LJQANCHMSA-N 1 0 372.513 2.406 50 0 FEAARO O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613679 206274155 /nfs/dbraw/zinc/27/41/55/206274155.db2.gz ZLTJJMXOFVRLPO-IRXDYDNUSA-N 1 0 369.469 2.445 50 0 FEAARO C[NH+]1CCC(CCNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000074085946 542035663 /nfs/dbraw/zinc/03/56/63/542035663.db2.gz BSVJLDIKFOMIQG-UHFFFAOYSA-N 1 0 368.485 2.202 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000015942358 206318033 /nfs/dbraw/zinc/31/80/33/206318033.db2.gz XIXZWXSUBKYBAY-ICSRJNTNSA-N 1 0 371.525 2.316 50 0 FEAARO Cc1cc(C)c(N(C[C@@H](O)C[NH2+]Cc2ccco2)S(C)(=O)=O)c(C)c1 ZINC000016839711 206320539 /nfs/dbraw/zinc/32/05/39/206320539.db2.gz GYIZLAJVJXVEKY-INIZCTEOSA-N 1 0 366.483 2.122 50 0 FEAARO COc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000020928004 206345744 /nfs/dbraw/zinc/34/57/44/206345744.db2.gz JDKTZBNVOVETBJ-UHFFFAOYSA-N 1 0 354.859 2.328 50 0 FEAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000215510423 206347879 /nfs/dbraw/zinc/34/78/79/206347879.db2.gz HEPWSIIXVYYRFK-UHFFFAOYSA-N 1 0 350.850 2.219 50 0 FEAARO Cc1cc2cc(C(=O)NCC[C@@H]3CCC(=O)N3CC[NH+](C)C)ccc2o1 ZINC000215700167 206349027 /nfs/dbraw/zinc/34/90/27/206349027.db2.gz IWRSJRKBNVLTJN-KRWDZBQOSA-N 1 0 357.454 2.414 50 0 FEAARO Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCC2([NH+]3CCCC3)CCCC2)n1 ZINC000219222109 206381671 /nfs/dbraw/zinc/38/16/71/206381671.db2.gz VXYHPJDEEFLOPP-CQSZACIVSA-N 1 0 364.515 2.084 50 0 FEAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2ccc3nonc3c2)n1 ZINC000219328525 206382338 /nfs/dbraw/zinc/38/23/38/206382338.db2.gz LKKGYUATVRCJGA-UHFFFAOYSA-N 1 0 354.414 2.000 50 0 FEAARO C[NH+](C)CCC[NH2+][C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000056964202 206384179 /nfs/dbraw/zinc/38/41/79/206384179.db2.gz LDFFDURZVRDIRK-CYBMUJFWSA-N 1 0 362.257 2.317 50 0 FEAARO CCN(Cc1nc(COC)no1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000219614708 206388373 /nfs/dbraw/zinc/38/83/73/206388373.db2.gz KZIDPAFRFZUUSK-INIZCTEOSA-N 1 0 358.442 2.229 50 0 FEAARO COc1ccc(CC(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765399 206394601 /nfs/dbraw/zinc/39/46/01/206394601.db2.gz YEOCRLCVJXMOTJ-LJQANCHMSA-N 1 0 373.522 2.404 50 0 FEAARO COC[C@@H]1[C@H](NC(=O)CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@H]12 ZINC000220323322 206399443 /nfs/dbraw/zinc/39/94/43/206399443.db2.gz IJTXGOBOZOTFAM-PSBKLILYSA-N 1 0 372.509 2.455 50 0 FEAARO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1ncc(=O)c2ccccc21 ZINC000075108239 542152671 /nfs/dbraw/zinc/15/26/71/542152671.db2.gz YWYPGVPJJRQNDX-UHFFFAOYSA-N 1 0 370.478 2.048 50 0 FEAARO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000075572749 542189642 /nfs/dbraw/zinc/18/96/42/542189642.db2.gz KMKOWCKQADDMKP-CQSZACIVSA-N 1 0 355.429 2.291 50 0 FEAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cnc(N)nc1C(F)(F)F ZINC000244763824 206555532 /nfs/dbraw/zinc/55/55/32/206555532.db2.gz OWCGUUWXCJRFKJ-UHFFFAOYSA-N 1 0 359.396 2.416 50 0 FEAARO O=C(CCCn1cccn1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077286323 542361242 /nfs/dbraw/zinc/36/12/42/542361242.db2.gz JVHMFZXAFYZXAZ-UHFFFAOYSA-N 1 0 352.482 2.365 50 0 FEAARO Cc1ccccc1-c1ncc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)s1 ZINC000077323090 542367494 /nfs/dbraw/zinc/36/74/94/542367494.db2.gz QHOMOCYDRNELRX-UHFFFAOYSA-N 1 0 356.451 2.293 50 0 FEAARO Cc1ccc([C@@H]2C[N@H+](Cc3cccnc3N)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077386122 542376240 /nfs/dbraw/zinc/37/62/40/542376240.db2.gz BSHFVMHVFQLNAM-RBUKOAKNSA-N 1 0 350.466 2.466 50 0 FEAARO O=C(NCCc1cccc(Cl)c1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077523461 542392119 /nfs/dbraw/zinc/39/21/19/542392119.db2.gz LBLKLKJOQRBCPV-MRXNPFEDSA-N 1 0 361.877 2.436 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)Cc3c(C)nc(N)nc3C)C[C@H]2[NH+](C)C)cc1 ZINC000077470873 542386075 /nfs/dbraw/zinc/38/60/75/542386075.db2.gz JAIVTBVKOKYIDY-RBUKOAKNSA-N 1 0 367.497 2.083 50 0 FEAARO CN(CC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(=O)OC(C)(C)C ZINC000060378318 221130485 /nfs/dbraw/zinc/13/04/85/221130485.db2.gz TVKJOELMXLPQNF-UHFFFAOYSA-N 1 0 371.547 2.331 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000082126038 542685571 /nfs/dbraw/zinc/68/55/71/542685571.db2.gz ZFWOZCXNMBRVGG-UHFFFAOYSA-N 1 0 366.462 2.116 50 0 FEAARO O=C(c1cscn1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000078483044 132190384 /nfs/dbraw/zinc/19/03/84/132190384.db2.gz CVRXBJCAEXBYOM-MRXNPFEDSA-N 1 0 371.510 2.213 50 0 FEAARO Cc1ccc(N2CCC([N@@H+]3CC[C@@]4(CC(=O)NC4=O)C3)CC2)cc1Cl ZINC000082096545 132194207 /nfs/dbraw/zinc/19/42/07/132194207.db2.gz UXJAQCLHJQRXHU-LJQANCHMSA-N 1 0 361.873 2.356 50 0 FEAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000091845419 132204530 /nfs/dbraw/zinc/20/45/30/132204530.db2.gz MGKOJUATLAUZFH-CYBMUJFWSA-N 1 0 358.269 2.021 50 0 FEAARO COc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1=O ZINC000091914648 132204655 /nfs/dbraw/zinc/20/46/55/132204655.db2.gz ZHVFDWGXRKHOHB-INIZCTEOSA-N 1 0 359.470 2.168 50 0 FEAARO COCC[C@]1(O)CC[N@H+](CCC(=O)N2CCCc3ccccc32)C[C@H]1C ZINC000091965454 132205201 /nfs/dbraw/zinc/20/52/01/132205201.db2.gz DTLCVTHNSKJYKZ-DYESRHJHSA-N 1 0 360.498 2.465 50 0 FEAARO Cc1ccc(CSc2nc(N)cc(N3CC[C@H]([NH+](C)C)[C@@H](O)C3)n2)cc1 ZINC000095369726 132208564 /nfs/dbraw/zinc/20/85/64/132208564.db2.gz WAHUZWAJEVMDPF-HOTGVXAUSA-N 1 0 373.526 2.161 50 0 FEAARO Cc1cnc(C)c(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000095390320 132210481 /nfs/dbraw/zinc/21/04/81/132210481.db2.gz YCHJSXHGNZCUOF-FQEVSTJZSA-N 1 0 357.502 2.007 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)CCn3cccn3)CC2)c1 ZINC000095391475 132210485 /nfs/dbraw/zinc/21/04/85/132210485.db2.gz SGVOIFSZHRFVPH-IBGZPJMESA-N 1 0 369.513 2.299 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3ncccn3)C[C@H]2CCO)c(C)c1C ZINC000106942923 132266165 /nfs/dbraw/zinc/26/61/65/132266165.db2.gz HPNPYPGHMBKNMF-GOSISDBHSA-N 1 0 356.470 2.175 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCCC[C@H]3CCOC3)CC2)c1 ZINC000244873554 132291243 /nfs/dbraw/zinc/29/12/43/132291243.db2.gz WRZYPGNSPVIRHG-IBGZPJMESA-N 1 0 359.514 2.440 50 0 FEAARO [NH3+]CCCOc1ccc(C(=O)N2CCN(c3cccnc3)CC2)cc1Cl ZINC000299797943 132300605 /nfs/dbraw/zinc/30/06/05/132300605.db2.gz DDFUORPAOMVZHG-UHFFFAOYSA-N 1 0 374.872 2.425 50 0 FEAARO CC[C@H](O)C[NH+]1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn32)CC1 ZINC000089943326 542775708 /nfs/dbraw/zinc/77/57/08/542775708.db2.gz JMCOIAYBYXWEIP-LBPRGKRZSA-N 1 0 372.395 2.099 50 0 FEAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)c(F)c1F ZINC000091505048 542810524 /nfs/dbraw/zinc/81/05/24/542810524.db2.gz HRADWSOCROUDRV-UHFFFAOYSA-N 1 0 352.425 2.470 50 0 FEAARO Cc1cnccc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091526525 542811863 /nfs/dbraw/zinc/81/18/63/542811863.db2.gz GUGYLNSOWYKRAJ-NRFANRHFSA-N 1 0 356.514 2.299 50 0 FEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000091746997 542823453 /nfs/dbraw/zinc/82/34/53/542823453.db2.gz MZTZFYOEQLXVSU-QGZVFWFLSA-N 1 0 360.454 2.476 50 0 FEAARO CC[C@@H](CNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)[NH+](C)C ZINC000091756504 542823484 /nfs/dbraw/zinc/82/34/84/542823484.db2.gz LTTPTJCZKZGHCZ-LBPRGKRZSA-N 1 0 361.398 2.052 50 0 FEAARO CCN1CC2(CCN(C(=O)C(C)(C)[NH3+])CC2)C[C@@H](c2ccccc2)C1=O ZINC000091644193 542818308 /nfs/dbraw/zinc/81/83/08/542818308.db2.gz LQFNTRZMVZEKSK-KRWDZBQOSA-N 1 0 357.498 2.369 50 0 FEAARO OC1CC[NH+](CCn2cc(-c3cnc(C4CCCCC4)nc3)nn2)CC1 ZINC000091846003 542828159 /nfs/dbraw/zinc/82/81/59/542828159.db2.gz ZSVWRNMFUOEGBS-UHFFFAOYSA-N 1 0 356.474 2.240 50 0 FEAARO Cc1ccc(C(=O)N2CCC(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)CC2)cc1 ZINC000091873191 542829897 /nfs/dbraw/zinc/82/98/97/542829897.db2.gz XLCSVJFSVZPJMO-MOPGFXCFSA-N 1 0 355.482 2.043 50 0 FEAARO Nc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000091877030 542830184 /nfs/dbraw/zinc/83/01/84/542830184.db2.gz HFKPAMUVSAJAEQ-HNAYVOBHSA-N 1 0 362.477 2.368 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(C)cn1)CC2 ZINC000091915214 542832475 /nfs/dbraw/zinc/83/24/75/542832475.db2.gz LZYCOPIFWSCRPA-UHFFFAOYSA-N 1 0 368.485 2.298 50 0 FEAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000091950710 542833380 /nfs/dbraw/zinc/83/33/80/542833380.db2.gz ZOQMVEOUOZAKHV-UHFFFAOYSA-N 1 0 356.514 2.389 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)ccc1O ZINC000091997193 542835641 /nfs/dbraw/zinc/83/56/41/542835641.db2.gz YYHQGMBEYRHQLC-UHFFFAOYSA-N 1 0 373.497 2.107 50 0 FEAARO Cc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)cc1C ZINC000092019465 542838451 /nfs/dbraw/zinc/83/84/51/542838451.db2.gz SQKMFLZQNBPSPZ-RBUKOAKNSA-N 1 0 359.514 2.167 50 0 FEAARO C[NH+]1CCN(c2cc(CNC(=O)CCCc3ccccc3)ccn2)CC1 ZINC000048309951 136123379 /nfs/dbraw/zinc/12/33/79/136123379.db2.gz PJNQRUTYJNTMBL-UHFFFAOYSA-N 1 0 352.482 2.473 50 0 FEAARO CN(C)[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1cccc(F)c1 ZINC000095370340 542961433 /nfs/dbraw/zinc/96/14/33/542961433.db2.gz OZEPEGHQZCRLKD-SFHVURJKSA-N 1 0 365.518 2.468 50 0 FEAARO O=C(NCc1nnc2n1CCCCC2)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095368319 542961846 /nfs/dbraw/zinc/96/18/46/542961846.db2.gz GTPULWYHMOYLBD-HNNXBMFYSA-N 1 0 357.458 2.126 50 0 FEAARO COc1ncccc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095371943 542962590 /nfs/dbraw/zinc/96/25/90/542962590.db2.gz BFRDTBSUKKEXOU-UHFFFAOYSA-N 1 0 371.485 2.258 50 0 FEAARO CCc1nc(C)cc(N2CC[NH+](C3CCN(C(=O)C(C)C)CC3)CC2)n1 ZINC000065410415 136136299 /nfs/dbraw/zinc/13/62/99/136136299.db2.gz NDCUVWBSCSVDLN-UHFFFAOYSA-N 1 0 359.518 2.116 50 0 FEAARO Cc1cccc2c(C[NH+]3CCN(c4ncc(C)c(N)n4)CC3)cn(C)c21 ZINC000065409696 136136344 /nfs/dbraw/zinc/13/63/44/136136344.db2.gz NRXUQOJBFGUEIA-UHFFFAOYSA-N 1 0 350.470 2.490 50 0 FEAARO Cc1ocnc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095374697 542963682 /nfs/dbraw/zinc/96/36/82/542963682.db2.gz FNGCQUNFADQHMC-QXAKKESOSA-N 1 0 353.422 2.391 50 0 FEAARO Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)CC[N@H+](Cc1ccco1)CC2 ZINC000072425150 136146358 /nfs/dbraw/zinc/14/63/58/136146358.db2.gz FMVKSHGBOHEYAZ-INIZCTEOSA-N 1 0 356.470 2.188 50 0 FEAARO Cc1nc2c(c(N3CCC[C@@H](O)C3)n1)CC[N@H+](Cc1cccs1)CC2 ZINC000072433043 136147137 /nfs/dbraw/zinc/14/71/37/136147137.db2.gz HZCVMAMJRIGAPB-OAHLLOKOSA-N 1 0 358.511 2.408 50 0 FEAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)cn1 ZINC000095352296 542957170 /nfs/dbraw/zinc/95/71/70/542957170.db2.gz WZNJYKXROOQXRB-LJQANCHMSA-N 1 0 357.454 2.387 50 0 FEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(Cc1nccs1)C2 ZINC000095358802 542959141 /nfs/dbraw/zinc/95/91/41/542959141.db2.gz MXEKNEHILFIXBE-LMMKCTJWSA-N 1 0 365.543 2.483 50 0 FEAARO CC[NH+]1CCC(CC(=O)N2CCC[C@H](c3nc(CCOC)no3)C2)CC1 ZINC000095378129 542964697 /nfs/dbraw/zinc/96/46/97/542964697.db2.gz YNAILLOQCFDRKA-INIZCTEOSA-N 1 0 364.490 2.087 50 0 FEAARO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000095405502 542968988 /nfs/dbraw/zinc/96/89/88/542968988.db2.gz LMYUNWIWWZCBBP-MRXNPFEDSA-N 1 0 352.523 2.197 50 0 FEAARO CCn1cnnc1CNC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000095457478 542971210 /nfs/dbraw/zinc/97/12/10/542971210.db2.gz RFAJDRNSSZPQCT-UHFFFAOYSA-N 1 0 362.522 2.342 50 0 FEAARO CCOCc1nc(Cn2c3ccccc3oc2=O)n(C2CC[NH+](C)CC2)n1 ZINC000095501527 542975088 /nfs/dbraw/zinc/97/50/88/542975088.db2.gz SCKLPTCDLGPVFB-UHFFFAOYSA-N 1 0 371.441 2.038 50 0 FEAARO Cc1ccn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n1 ZINC000095504471 542975973 /nfs/dbraw/zinc/97/59/73/542975973.db2.gz KDSGFWDIRBTGIP-FXAWDEMLSA-N 1 0 364.493 2.282 50 0 FEAARO COc1ccnc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c1OC ZINC000095506366 542976346 /nfs/dbraw/zinc/97/63/46/542976346.db2.gz VJMAAYCTOBGNOV-FOIQADDNSA-N 1 0 356.422 2.069 50 0 FEAARO CCOc1ncccc1C(=O)N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000095505020 542976457 /nfs/dbraw/zinc/97/64/57/542976457.db2.gz ANISFLSYLNBQSK-UHFFFAOYSA-N 1 0 371.485 2.258 50 0 FEAARO Cn1cc(C(=O)N(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)ccc1=O ZINC000095523153 542979635 /nfs/dbraw/zinc/97/96/35/542979635.db2.gz SQPPBFUXUUUADR-IBGZPJMESA-N 1 0 367.493 2.412 50 0 FEAARO Cc1nnc(CN(C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000095525658 542980645 /nfs/dbraw/zinc/98/06/45/542980645.db2.gz DKEVBAFCGAWQMN-SFHVURJKSA-N 1 0 374.485 2.236 50 0 FEAARO Cc1nn(C)c2nc(N3CCC([C@H](C)[NH+]4CCN(C)CC4)CC3)sc12 ZINC000095525315 542980946 /nfs/dbraw/zinc/98/09/46/542980946.db2.gz RRTCJNPDRCDJKT-AWEZNQCLSA-N 1 0 362.547 2.191 50 0 FEAARO Fc1ccc(-n2nc(Cn3cncn3)nc2CC[NH+]2CCCCC2)cc1F ZINC000095529336 542981998 /nfs/dbraw/zinc/98/19/98/542981998.db2.gz XVBIVDATOGEFRZ-UHFFFAOYSA-N 1 0 373.411 2.214 50 0 FEAARO CN(Cc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095527924 542982011 /nfs/dbraw/zinc/98/20/11/542982011.db2.gz FASAWHCMLCGUQG-FQEVSTJZSA-N 1 0 372.513 2.278 50 0 FEAARO C[NH+]1CCC(Cc2nc(CN3CCOCC3)n(Cc3ccccc3)n2)CC1 ZINC000096166829 542995109 /nfs/dbraw/zinc/99/51/09/542995109.db2.gz OWGYOGROLNEYLU-UHFFFAOYSA-N 1 0 369.513 2.043 50 0 FEAARO Cc1noc([C@@H]2CN(C(=O)Cc3ccccc3)CC23CC[NH+](C)CC3)n1 ZINC000097138241 543005550 /nfs/dbraw/zinc/00/55/50/543005550.db2.gz ANCRBMUJXDTQGG-KRWDZBQOSA-N 1 0 354.454 2.259 50 0 FEAARO COc1ccc2c(c1)c(C(=O)NCc1cc3n(n1)CCC[NH2+]C3)c(C)n2C ZINC000097137728 543005600 /nfs/dbraw/zinc/00/56/00/543005600.db2.gz JLEPGPSVCXHXDV-UHFFFAOYSA-N 1 0 367.453 2.115 50 0 FEAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCO[C@H](CN2CCOCC2)C1 ZINC000097717392 543015967 /nfs/dbraw/zinc/01/59/67/543015967.db2.gz FCHMCNBMQYLKKZ-OAQYLSRUSA-N 1 0 370.497 2.104 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000097301235 543009753 /nfs/dbraw/zinc/00/97/53/543009753.db2.gz HRABUNQHUKFUMI-SFHVURJKSA-N 1 0 365.481 2.406 50 0 FEAARO COc1cc(CN2CCCO[C@@H](C[NH+]3CCCC3)C2)cc(OC)c1OC ZINC000097394457 543011037 /nfs/dbraw/zinc/01/10/37/543011037.db2.gz BGTYHHYAZBSEIO-KRWDZBQOSA-N 1 0 364.486 2.399 50 0 FEAARO Cc1nccn1CC[N@@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000097436862 543011212 /nfs/dbraw/zinc/01/12/12/543011212.db2.gz DEUHIEHQLGNTKT-UHFFFAOYSA-N 1 0 367.453 2.495 50 0 FEAARO O=c1c2c(nc3cc([C@H]4CCC[NH2+]C4)[n-]n31)CC[N@@H+](Cc1ccccc1)C2 ZINC000100003405 543024339 /nfs/dbraw/zinc/02/43/39/543024339.db2.gz HOHOCNXEZPXLTI-INIZCTEOSA-N 1 0 363.465 2.460 50 0 FEAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]nc2-c2cccnc2)ncn1 ZINC000109069926 543312764 /nfs/dbraw/zinc/31/27/64/543312764.db2.gz KXPQSJNBDVMQDZ-MRXNPFEDSA-N 1 0 364.457 2.062 50 0 FEAARO COc1ccc(C(=O)N2CCC([NH2+]Cc3c[nH]nc3C)CC2)c(OC)c1 ZINC000120910136 543686808 /nfs/dbraw/zinc/68/68/08/543686808.db2.gz AEYOXUXRPNYABQ-UHFFFAOYSA-N 1 0 358.442 2.130 50 0 FEAARO Cc1ccc(CN2CC[N@@H+](C3CSCCSC3)C[C@H]2CCO)o1 ZINC000104637602 222359383 /nfs/dbraw/zinc/35/93/83/222359383.db2.gz HMKFDAAJJCOFEL-OAHLLOKOSA-N 1 0 356.557 2.305 50 0 FEAARO COc1ccc(C(=O)NCc2ccc3c(c2)CCCO3)c(OCC[NH3+])c1 ZINC000426628337 263647226 /nfs/dbraw/zinc/64/72/26/263647226.db2.gz UHAMXRCQPCNZMR-UHFFFAOYSA-N 1 0 356.422 2.288 50 0 FEAARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000187452892 328026397 /nfs/dbraw/zinc/02/63/97/328026397.db2.gz SLEUGZYUAGQCND-RTBURBONSA-N 1 0 359.514 2.496 50 0 FEAARO CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nc3ccccc3n2C)ncn1 ZINC000109070490 325657906 /nfs/dbraw/zinc/65/79/06/325657906.db2.gz GFZQFAHBZAGTLZ-CQSZACIVSA-N 1 0 351.458 2.164 50 0 FEAARO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367071267 330213713 /nfs/dbraw/zinc/21/37/13/330213713.db2.gz AUZZSCKCBGKJIR-SFHVURJKSA-N 1 0 352.862 2.467 50 0 FEAARO CC(C)C[C@@H](O)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082108330 519253056 /nfs/dbraw/zinc/25/30/56/519253056.db2.gz CDAPPUABPYHWLD-LJQANCHMSA-N 1 0 362.518 2.445 50 0 FEAARO CC(=O)N1CCCn2nc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2C1 ZINC000082158460 519564848 /nfs/dbraw/zinc/56/48/48/519564848.db2.gz LDNQRKNSCLSQOM-UHFFFAOYSA-N 1 0 367.497 2.394 50 0 FEAARO CC(C)CCC[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)CCO1 ZINC000244701075 519646380 /nfs/dbraw/zinc/64/63/80/519646380.db2.gz JZSHQQPGSPGTGP-IXDOHACOSA-N 1 0 363.506 2.388 50 0 FEAARO CCOCCn1nc(C)cc1C(=O)N(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000082091579 520071745 /nfs/dbraw/zinc/07/17/45/520071745.db2.gz BFQQRNDRBNCIQU-IBGZPJMESA-N 1 0 370.497 2.357 50 0 FEAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000020996325 520678127 /nfs/dbraw/zinc/67/81/27/520678127.db2.gz ZVHVTRBPUWFRNY-CQSZACIVSA-N 1 0 361.515 2.366 50 0 FEAARO CC[C@@H](CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O)[NH+]1CCCCC1 ZINC000091526540 522543810 /nfs/dbraw/zinc/54/38/10/522543810.db2.gz VOIHVXJYDRCINP-INIZCTEOSA-N 1 0 354.454 2.431 50 0 FEAARO COCC(=O)NCc1cc2n(n1)CCC[N@H+](CC[C@H](C)c1ccc(C)o1)C2 ZINC000082098782 522768801 /nfs/dbraw/zinc/76/88/01/522768801.db2.gz QQAAUXVLJKWCGP-HNNXBMFYSA-N 1 0 374.485 2.447 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)C[C@@H]1CO ZINC000091486598 523619798 /nfs/dbraw/zinc/61/97/98/523619798.db2.gz HQZGOMOXBSKMCQ-HZPDHXFCSA-N 1 0 362.495 2.160 50 0 FEAARO CCc1cc(N2CCC(c3nccn3CC)CC2)nc(N2CCOCC2)[nH+]1 ZINC000091636623 523794208 /nfs/dbraw/zinc/79/42/08/523794208.db2.gz PHZSWOJBAILFNE-UHFFFAOYSA-N 1 0 370.501 2.476 50 0 FEAARO COc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000089478810 524087554 /nfs/dbraw/zinc/08/75/54/524087554.db2.gz NJQSDFAVLLPDMK-CYBMUJFWSA-N 1 0 372.421 2.227 50 0 FEAARO C[C@H]1CN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000153719485 524550915 /nfs/dbraw/zinc/55/09/15/524550915.db2.gz SXTBPTCPTHBKMR-UWVGGRQHSA-N 1 0 371.338 2.248 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000156558283 525022063 /nfs/dbraw/zinc/02/20/63/525022063.db2.gz ALRBGTSGNRADCW-PWSUYJOCSA-N 1 0 364.389 2.180 50 0 FEAARO Cc1[nH]c2c(c1CC(=O)NCC[N@@H+]1CCC[C@H](CO)C1)c(C)ccc2C ZINC000091690551 525414538 /nfs/dbraw/zinc/41/45/38/525414538.db2.gz WXMOZWAUVQHSEE-KRWDZBQOSA-N 1 0 357.498 2.456 50 0 FEAARO Cc1ccnc([C@@H](NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C2CC2)c1 ZINC000244594102 525713174 /nfs/dbraw/zinc/71/31/74/525713174.db2.gz DGKWJPQDWRAYSV-DAYGRLMNSA-N 1 0 354.458 2.305 50 0 FEAARO Cc1cc(Br)ccc1OCCOCCN1CC[NH+](C)CC1 ZINC000020118489 526172096 /nfs/dbraw/zinc/17/20/96/526172096.db2.gz RYENBZIUZZGHRE-UHFFFAOYSA-N 1 0 357.292 2.400 50 0 FEAARO c1cn(Cc2ccccc2)c([C@H]2CCC[N@@H+](CCCn3cnnn3)C2)n1 ZINC000082107087 526534643 /nfs/dbraw/zinc/53/46/43/526534643.db2.gz MTZKOLSVOSOGCR-SFHVURJKSA-N 1 0 351.458 2.188 50 0 FEAARO OC[C@H]1CN(c2nc(-c3ccccc3)cs2)C[C@H]1C[NH+]1CCC(O)CC1 ZINC000091645440 527620288 /nfs/dbraw/zinc/62/02/88/527620288.db2.gz IMJWDYQHDAZDSB-IAGOWNOFSA-N 1 0 373.522 2.312 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(N(C)C)cc3)cc2C1 ZINC000299800921 528488320 /nfs/dbraw/zinc/48/83/20/528488320.db2.gz UAZLKYHRQOBGLX-UHFFFAOYSA-N 1 0 355.486 2.495 50 0 FEAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CCN(CCC[NH+](C)C)CC1 ZINC000072447182 535833287 /nfs/dbraw/zinc/83/32/87/535833287.db2.gz WXGVLVDMLOETEE-UHFFFAOYSA-N 1 0 371.533 2.095 50 0 FEAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](CCOC)C2)CC1 ZINC000097660556 535942818 /nfs/dbraw/zinc/94/28/18/535942818.db2.gz MJVBOYSAIVWRMP-IBGZPJMESA-N 1 0 359.514 2.256 50 0 FEAARO O=C(Nc1cccc(OCCF)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178033028 546726434 /nfs/dbraw/zinc/72/64/34/546726434.db2.gz NCMAHDRWBVORJN-HNNXBMFYSA-N 1 0 351.422 2.221 50 0 FEAARO Cn1cc(CN2CC[NH+](CC3CCOCC3)CC2)c(-c2ccncc2)n1 ZINC000179627842 546989520 /nfs/dbraw/zinc/98/95/20/546989520.db2.gz WJNPHDIYUBWMTK-UHFFFAOYSA-N 1 0 355.486 2.026 50 0 FEAARO Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183663298 547697589 /nfs/dbraw/zinc/69/75/89/547697589.db2.gz FTQRJISTJJQHNW-KRWDZBQOSA-N 1 0 369.469 2.367 50 0 FEAARO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000187608630 548259962 /nfs/dbraw/zinc/25/99/62/548259962.db2.gz XWYSBTFFSBBNIC-UKRRQHHQSA-N 1 0 369.259 2.110 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)n1 ZINC000222400343 548707709 /nfs/dbraw/zinc/70/77/09/548707709.db2.gz ULSQCZXGCGELNB-MGCOHNPYSA-N 1 0 367.379 2.035 50 0 FEAARO O=C(c1ccc(N2CCCC2)cc1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000223089989 548715729 /nfs/dbraw/zinc/71/57/29/548715729.db2.gz QLHGPLQUQMILDW-FQEVSTJZSA-N 1 0 357.498 2.206 50 0 FEAARO O=S(=O)(Cc1ccc(F)cc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225564246 548737362 /nfs/dbraw/zinc/73/73/62/548737362.db2.gz IEVRJEOTLFDQNN-UHFFFAOYSA-N 1 0 370.490 2.136 50 0 FEAARO Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229724759 548757011 /nfs/dbraw/zinc/75/70/11/548757011.db2.gz HKUUUIIRVAPQDG-IRXDYDNUSA-N 1 0 361.511 2.410 50 0 FEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000237408473 548823724 /nfs/dbraw/zinc/82/37/24/548823724.db2.gz HDNYJNQMCWCCGA-NXEZZACHSA-N 1 0 364.243 2.242 50 0 FEAARO Nc1nc(NCc2cnn(-c3cccc(F)c3)c2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244758163 548895324 /nfs/dbraw/zinc/89/53/24/548895324.db2.gz OTKASTDTJYZAEJ-XBXGTLAGSA-N 1 0 353.405 2.200 50 0 FEAARO COc1ccccc1NC(=O)CN1CCC([C@@H](O)c2ccccn2)CC1 ZINC000244787897 548895386 /nfs/dbraw/zinc/89/53/86/548895386.db2.gz QFTICFCYJKTHNK-HXUWFJFHSA-N 1 0 355.438 2.474 50 0 FEAARO CCn1cnnc1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccnn2C(C)C)C1 ZINC000246174436 549069896 /nfs/dbraw/zinc/06/98/96/549069896.db2.gz SVHVJXOOEUNPDJ-HUUCEWRRSA-N 1 0 359.478 2.282 50 0 FEAARO O=C([C@@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248010837 549400399 /nfs/dbraw/zinc/40/03/99/549400399.db2.gz VJYMUVVCMIOVDV-RDJZCZTQSA-N 1 0 363.408 2.014 50 0 FEAARO OC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000252477155 549666571 /nfs/dbraw/zinc/66/65/71/549666571.db2.gz JERDWRKMGALIND-WOJBJXKFSA-N 1 0 368.477 2.430 50 0 FEAARO CCOc1ccc(Cl)cc1CN(C)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000252488288 549668682 /nfs/dbraw/zinc/66/86/82/549668682.db2.gz IOPGDDSIYBQEMJ-MRXNPFEDSA-N 1 0 353.894 2.333 50 0 FEAARO CCOc1ccc(Cl)cc1CN(C)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000252488287 549669203 /nfs/dbraw/zinc/66/92/03/549669203.db2.gz IOPGDDSIYBQEMJ-INIZCTEOSA-N 1 0 353.894 2.333 50 0 FEAARO C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)CC1 ZINC000252500851 549669530 /nfs/dbraw/zinc/66/95/30/549669530.db2.gz TWNPZOVEKQIBON-UHFFFAOYSA-N 1 0 351.878 2.145 50 0 FEAARO O=C(NC[C@@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2)N1CCCC1 ZINC000257177574 549711555 /nfs/dbraw/zinc/71/15/55/549711555.db2.gz XEZKLUFWNXDFKZ-GOSISDBHSA-N 1 0 358.486 2.116 50 0 FEAARO Cc1ccc(C)c(NC(=O)N2CC[C@H](c3nnc4n3CC[N@@H+](C)CC4)C2)c1 ZINC000257186202 549713339 /nfs/dbraw/zinc/71/33/39/549713339.db2.gz KEMJCOZBYULURB-INIZCTEOSA-N 1 0 368.485 2.404 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)CC2)cc1OC ZINC000257183793 549713503 /nfs/dbraw/zinc/71/35/03/549713503.db2.gz HYXWGDNDDRKHNF-MRXNPFEDSA-N 1 0 362.470 2.278 50 0 FEAARO CCC[N@H+](C)CC1(O)CCC2(CCN(C(=O)c3nccn3C)CC2)CC1 ZINC000257190258 549714614 /nfs/dbraw/zinc/71/46/14/549714614.db2.gz LUGNHQNJLXWLSA-UHFFFAOYSA-N 1 0 362.518 2.289 50 0 FEAARO CC(C)[N@@H+]1CC[C@@H](c2nnc3n2CCN(C(=O)c2ccccc2)CC3)C1 ZINC000257190593 549714671 /nfs/dbraw/zinc/71/46/71/549714671.db2.gz OWAXYGFNIILQSE-QGZVFWFLSA-N 1 0 353.470 2.174 50 0 FEAARO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262171324 549795732 /nfs/dbraw/zinc/79/57/32/549795732.db2.gz ATFJMLAJHMURQG-ZUVBDUPZSA-N 1 0 363.546 2.240 50 0 FEAARO CN(C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1)S(C)(=O)=O ZINC000285744769 551804496 /nfs/dbraw/zinc/80/44/96/551804496.db2.gz WDVHXLABXOKURQ-HNNXBMFYSA-N 1 0 363.483 2.445 50 0 FEAARO CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290410775 552474938 /nfs/dbraw/zinc/47/49/38/552474938.db2.gz MOEAVGLOQRJOLJ-MRXNPFEDSA-N 1 0 364.511 2.114 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)c3ccccc3C)cc2C1 ZINC000299754895 553610284 /nfs/dbraw/zinc/61/02/84/553610284.db2.gz BPGCBNSQWGZJLS-UHFFFAOYSA-N 1 0 362.499 2.286 50 0 FEAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1C[C@H]1COc2ccccc2O1 ZINC000299756908 553611055 /nfs/dbraw/zinc/61/10/55/553611055.db2.gz KBALBNKOLYIZFF-MSOLQXFVSA-N 1 0 367.449 2.392 50 0 FEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CC2CC2)CC1 ZINC000299761884 553612010 /nfs/dbraw/zinc/61/20/10/553612010.db2.gz ZPHFGPSEFSRAHE-IBGZPJMESA-N 1 0 362.445 2.306 50 0 FEAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2 ZINC000299770952 553612784 /nfs/dbraw/zinc/61/27/84/553612784.db2.gz OHELWOIYVACWQW-NSHDSACASA-N 1 0 352.822 2.277 50 0 FEAARO Cn1nc2cccc(NC(=O)N3CCC([NH+]4CCSCC4)CC3)c2n1 ZINC000299774765 553613343 /nfs/dbraw/zinc/61/33/43/553613343.db2.gz JBDWTFPINADHOP-UHFFFAOYSA-N 1 0 360.487 2.013 50 0 FEAARO Cc1cc(C)c(CC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c(C)c1 ZINC000299782448 553614631 /nfs/dbraw/zinc/61/46/31/553614631.db2.gz XQGMTQPWQGNXMQ-OAQYLSRUSA-N 1 0 355.526 2.393 50 0 FEAARO COc1cccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)c1OCCC[NH3+] ZINC000299801178 553616341 /nfs/dbraw/zinc/61/63/41/553616341.db2.gz VLWVNUAPVAIRJT-KRWDZBQOSA-N 1 0 356.422 2.112 50 0 FEAARO Cc1ncc2n1CC[C@H](C(=O)N1CCC[C@@H](c3nnc4ccccn43)C1)C2 ZINC000329563897 553968143 /nfs/dbraw/zinc/96/81/43/553968143.db2.gz JXMFKVBZCLAGHW-JKSUJKDBSA-N 1 0 364.453 2.203 50 0 FEAARO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3CCC[C@]3(C)CO)cs2)c1C ZINC000329949938 554037370 /nfs/dbraw/zinc/03/73/70/554037370.db2.gz BZWIEXYWTWLORZ-RDTXWAMCSA-N 1 0 362.499 2.161 50 0 FEAARO Cc1ccnc(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)c1 ZINC000333009894 554558632 /nfs/dbraw/zinc/55/86/32/554558632.db2.gz FONPBPVCAHWTPT-GOSISDBHSA-N 1 0 357.502 2.239 50 0 FEAARO CC(C)c1nc(CCNC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)cs1 ZINC000426615612 559739023 /nfs/dbraw/zinc/73/90/23/559739023.db2.gz XQYMYYVICRSKAS-AWEZNQCLSA-N 1 0 361.515 2.289 50 0 FEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1c[nH]c2ccccc12 ZINC000426739639 559741282 /nfs/dbraw/zinc/74/12/82/559741282.db2.gz FXDCQDGSOSALOL-INIZCTEOSA-N 1 0 351.454 2.190 50 0 FEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCCc1c[nH]c2ccccc12 ZINC000426739642 559741348 /nfs/dbraw/zinc/74/13/48/559741348.db2.gz FXDCQDGSOSALOL-MRXNPFEDSA-N 1 0 351.454 2.190 50 0 FEAARO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-c2cncc(C(N)=O)c2)cc1 ZINC000426433597 570604471 /nfs/dbraw/zinc/60/44/71/570604471.db2.gz HYARRWQSOBPXPG-UHFFFAOYSA-N 1 0 366.465 2.452 50 0 FEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000104897133 570864091 /nfs/dbraw/zinc/86/40/91/570864091.db2.gz PAUJLJPNNUGWFP-QZTJIDSGSA-N 1 0 367.449 2.275 50 0 FEAARO O=S(=O)(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000046036435 570921865 /nfs/dbraw/zinc/92/18/65/570921865.db2.gz OVGSVJRJRHSVLN-UONOGXRCSA-N 1 0 364.389 2.490 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(F)c(F)c2)C3)CC1 ZINC000021039372 571144274 /nfs/dbraw/zinc/14/42/74/571144274.db2.gz ATWXINVJQKDVOE-UHFFFAOYSA-N 1 0 373.451 2.455 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000426360103 571215236 /nfs/dbraw/zinc/21/52/36/571215236.db2.gz ROVITAVFDGEKBH-MRXNPFEDSA-N 1 0 350.434 2.052 50 0 FEAARO O=C(NCCc1nccc(-c2ccccc2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000426425525 571223795 /nfs/dbraw/zinc/22/37/95/571223795.db2.gz YMAPKFQWFPMPRN-RDJZCZTQSA-N 1 0 351.454 2.080 50 0 FEAARO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000585139999 571231991 /nfs/dbraw/zinc/23/19/91/571231991.db2.gz CGJMRDZAJMSKLG-RCCFBDPRSA-N 1 0 363.502 2.215 50 0 FEAARO CC[C@H](NC(=O)N1CCC([NH+]2CCC(O)CC2)CC1)c1cccc(C)n1 ZINC000584884229 571313509 /nfs/dbraw/zinc/31/35/09/571313509.db2.gz VPIOZADXNNRKQC-SFHVURJKSA-N 1 0 360.502 2.472 50 0 FEAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCOc2ccc(CO)cc2C1 ZINC000584898073 571315786 /nfs/dbraw/zinc/31/57/86/571315786.db2.gz BKAGBZLVMDSFOP-QGZVFWFLSA-N 1 0 373.497 2.347 50 0 FEAARO CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2cnn3ccccc23)CC1 ZINC000585123231 571320622 /nfs/dbraw/zinc/32/06/22/571320622.db2.gz HZUSMXRECPHPIH-UHFFFAOYSA-N 1 0 371.485 2.121 50 0 FEAARO CCc1nc(C)c(CC(=O)NC2CC[NH+](Cc3cccs3)CC2)c(=O)[nH]1 ZINC000670456692 571354699 /nfs/dbraw/zinc/35/46/99/571354699.db2.gz BVDQBHUDQFYCHU-UHFFFAOYSA-N 1 0 374.510 2.438 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc3ccccc3s2)C1 ZINC000670460461 571356616 /nfs/dbraw/zinc/35/66/16/571356616.db2.gz HSEMHBIQQNONLI-ZDUSSCGKSA-N 1 0 354.497 2.148 50 0 FEAARO CC[N@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@@H]1CCOC(C)(C)C1 ZINC000810043230 674526907 /nfs/dbraw/zinc/52/69/07/674526907.db2.gz QVHIHXSDOMDMNY-MRXNPFEDSA-N 1 0 371.547 2.324 50 0 FEAARO COC[C@H]1CN(S(=O)(=O)Cc2ccc(C)c(C)c2)CC12CC[NH2+]CC2 ZINC000169782342 672322119 /nfs/dbraw/zinc/32/21/19/672322119.db2.gz INOWXQZKKSRXAE-GOSISDBHSA-N 1 0 366.527 2.081 50 0 FEAARO COc1cc(C[NH+]2CCC3(CC[C@H](CNC(C)=O)O3)CC2)ccc1F ZINC000299756710 673015206 /nfs/dbraw/zinc/01/52/06/673015206.db2.gz HWJNTEICAPRWOZ-MRXNPFEDSA-N 1 0 350.434 2.484 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000952969250 681793051 /nfs/dbraw/zinc/79/30/51/681793051.db2.gz AOCUGRRYHPMANE-LBPRGKRZSA-N 1 0 364.870 2.068 50 0 FEAARO C[C@]1(c2nc(COc3cccc(Cl)c3)nn2CCO)CCC[NH2+]C1 ZINC000952981497 681794958 /nfs/dbraw/zinc/79/49/58/681794958.db2.gz XBBJXSCUNBTGMR-KRWDZBQOSA-N 1 0 350.850 2.144 50 0 FEAARO CC(C)Oc1cncc(S(=O)(=O)NC[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000888100051 688545757 /nfs/dbraw/zinc/54/57/57/688545757.db2.gz BLTLTPSIXFLMBC-HNNXBMFYSA-N 1 0 361.467 2.034 50 0 FEAARO Cn1cnnc1SCC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000011814615 539535432 /nfs/dbraw/zinc/53/54/32/539535432.db2.gz VZWYPMWWGNIXCR-QGZVFWFLSA-N 1 0 373.526 2.073 50 0 FEAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 ZINC000012002991 539540664 /nfs/dbraw/zinc/54/06/64/539540664.db2.gz YPZGLONAEGOAMU-SFHVURJKSA-N 1 0 355.486 2.467 50 0 FEAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2cc(C(=O)NCCO)nn2)CC1 ZINC000011997201 539539481 /nfs/dbraw/zinc/53/94/81/539539481.db2.gz CYHABXDHORXHKF-INIZCTEOSA-N 1 0 363.506 2.020 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)CSc2ccccc2)CC1 ZINC000012300454 539553184 /nfs/dbraw/zinc/55/31/84/539553184.db2.gz CCNMPYBYAISBST-UHFFFAOYSA-N 1 0 356.495 2.242 50 0 FEAARO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000013113288 539583319 /nfs/dbraw/zinc/58/33/19/539583319.db2.gz RDTJWSYPNJHDND-NUEKZKHPSA-N 1 0 351.443 2.390 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000013572783 539587595 /nfs/dbraw/zinc/58/75/95/539587595.db2.gz DQHVGKHKMKJZNQ-JJNNYRRPSA-N 1 0 373.428 2.001 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N3CC[N@H+](C)[C@@H](C)C3)nc2)n1 ZINC000014974911 539608076 /nfs/dbraw/zinc/60/80/76/539608076.db2.gz WFAPQXMRWHKSEP-ZDUSSCGKSA-N 1 0 359.499 2.171 50 0 FEAARO COCC[NH+]1CCC(CN(Cc2nccn2C)Cc2ccncc2)CC1 ZINC000015068801 539610487 /nfs/dbraw/zinc/61/04/87/539610487.db2.gz ONKVQWMLDDKLFQ-UHFFFAOYSA-N 1 0 357.502 2.176 50 0 FEAARO COc1cccc(CCC(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000015073331 539611478 /nfs/dbraw/zinc/61/14/78/539611478.db2.gz GHGKVNGPXSSTIM-SFHVURJKSA-N 1 0 359.514 2.303 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N3CC[C@H]([NH+](C)C)C3)nc2)n1 ZINC000015071576 539612151 /nfs/dbraw/zinc/61/21/51/539612151.db2.gz PYGNQYWYMWBKOK-HNNXBMFYSA-N 1 0 359.499 2.171 50 0 FEAARO CCOc1ccccc1CN1CC[N@H+](CCCn2cccn2)C[C@@H]1CCO ZINC000022913089 539702660 /nfs/dbraw/zinc/70/26/60/539702660.db2.gz SCLQKAYITKVKPE-FQEVSTJZSA-N 1 0 372.513 2.241 50 0 FEAARO O=C1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000022938857 539703362 /nfs/dbraw/zinc/70/33/62/539703362.db2.gz SHBBXKYBLUUZKV-SFHVURJKSA-N 1 0 359.445 2.408 50 0 FEAARO CC(C)CC[N@@H+]1CCN(Cc2cc(=O)c3ccccc3[nH]2)C[C@@H]1CCO ZINC000022851203 539701161 /nfs/dbraw/zinc/70/11/61/539701161.db2.gz GCWLSYBWLWUHAA-SFHVURJKSA-N 1 0 357.498 2.443 50 0 FEAARO COc1cc(CN2CC[NH+](CCO)CC2)ccc1OCc1ccccc1 ZINC000023281613 539711679 /nfs/dbraw/zinc/71/16/79/539711679.db2.gz HJNOIBBKZIKYTE-UHFFFAOYSA-N 1 0 356.466 2.384 50 0 FEAARO Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)sc2ncn(C)c(=O)c12 ZINC000025421404 539759737 /nfs/dbraw/zinc/75/97/37/539759737.db2.gz MHPVMRYPKSICJG-CQSZACIVSA-N 1 0 370.478 2.336 50 0 FEAARO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2C(N)=O)cc1F ZINC000025925465 539772469 /nfs/dbraw/zinc/77/24/69/539772469.db2.gz DRCFDJDODLQKKJ-UHFFFAOYSA-N 1 0 359.401 2.394 50 0 FEAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(OC)c(OC)cc2C)CC1 ZINC000027970882 539822098 /nfs/dbraw/zinc/82/20/98/539822098.db2.gz SLHSFTPBKKHWJV-UHFFFAOYSA-N 1 0 356.488 2.117 50 0 FEAARO CSCC[C@H]1NC(=S)N(CC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000030920768 539894684 /nfs/dbraw/zinc/89/46/84/539894684.db2.gz BUEMNRZOKUTQPX-CYBMUJFWSA-N 1 0 373.613 2.186 50 0 FEAARO COC(=O)c1sccc1-n1nnnc1C1([NH3+])C2CC3CC(C2)CC1C3 ZINC000035170797 539979104 /nfs/dbraw/zinc/97/91/04/539979104.db2.gz YDOBOPLKHDCVOX-UHFFFAOYSA-N 1 0 359.455 2.121 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21c2cccc(C)c2NC1=O ZINC000035877119 539984771 /nfs/dbraw/zinc/98/47/71/539984771.db2.gz YHJBFALZYUQLJS-YAUQQCODSA-N 1 0 369.465 2.170 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C ZINC000045537825 540216226 /nfs/dbraw/zinc/21/62/26/540216226.db2.gz BQJQPMMIZFOPET-KRWDZBQOSA-N 1 0 362.522 2.065 50 0 FEAARO O=C(COc1ccccc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)N1CCCC1 ZINC000051188195 540425971 /nfs/dbraw/zinc/42/59/71/540425971.db2.gz HLIJYORSZQUKKJ-SIKLNZKXSA-N 1 0 366.461 2.436 50 0 FEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc[nH]c3=S)cc2)CC1 ZINC000053238272 540520480 /nfs/dbraw/zinc/52/04/80/540520480.db2.gz ZMSPDHSPRSTGOV-UHFFFAOYSA-N 1 0 370.522 2.438 50 0 FEAARO O=C(C[NH+]1CCC(C(=O)NCc2ccco2)CC1)NC1CCCCCC1 ZINC000058178536 540831673 /nfs/dbraw/zinc/83/16/73/540831673.db2.gz SNXHGTBRSYQTCU-UHFFFAOYSA-N 1 0 361.486 2.447 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cn2c(C)nc3ccccc32)n[nH]1 ZINC000067909394 541527782 /nfs/dbraw/zinc/52/77/82/541527782.db2.gz WDGMPUMIHYWEEW-MRXNPFEDSA-N 1 0 366.469 2.330 50 0 FEAARO O=C([C@@H]1CCCO1)N1CCC([NH2+]CCOc2ccccc2Cl)CC1 ZINC000067947522 541531562 /nfs/dbraw/zinc/53/15/62/541531562.db2.gz BLTKMWWWAQODFX-KRWDZBQOSA-N 1 0 352.862 2.478 50 0 FEAARO Cc1c(C(=O)NC(C)C)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000069897945 541722595 /nfs/dbraw/zinc/72/25/95/541722595.db2.gz ZUJOYJYJFNAWKJ-UHFFFAOYSA-N 1 0 353.470 2.482 50 0 FEAARO CCC1(C[NH2+]C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000071422121 541767469 /nfs/dbraw/zinc/76/74/69/541767469.db2.gz GDCBWOLYORKEKB-FQEVSTJZSA-N 1 0 364.461 2.468 50 0 FEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000071748742 541769162 /nfs/dbraw/zinc/76/91/62/541769162.db2.gz CYYBQRCSIFNSJJ-UHFFFAOYSA-N 1 0 366.469 2.232 50 0 FEAARO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NC[C@@H](C)C[NH+](C)C)C1 ZINC000071721273 541769592 /nfs/dbraw/zinc/76/95/92/541769592.db2.gz SRBDGEZJLFOSEZ-CQSZACIVSA-N 1 0 368.485 2.053 50 0 FEAARO O=C(c1nc2ccccn2c1C[N@H+]1C[C@H]2CCC[C@@]2(CO)C1)N1CCCC1 ZINC000071730338 541769631 /nfs/dbraw/zinc/76/96/31/541769631.db2.gz MYFMCKCHOWKYFO-IERDGZPVSA-N 1 0 368.481 2.165 50 0 FEAARO Cc1cc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c(C)n1-n1cnnc1 ZINC000071752522 541770687 /nfs/dbraw/zinc/77/06/87/541770687.db2.gz LRTGBJNLBPSVGI-UHFFFAOYSA-N 1 0 365.485 2.111 50 0 FEAARO Cn1ncc2c1nc(C(C)(C)C)nc2NC[C@@H](O)C[NH+]1CCCCCC1 ZINC000072120788 541784541 /nfs/dbraw/zinc/78/45/41/541784541.db2.gz ICJBDJLUNHKWEZ-CQSZACIVSA-N 1 0 360.506 2.310 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000072137391 541786306 /nfs/dbraw/zinc/78/63/06/541786306.db2.gz WMTZABOTLNTRLM-INIZCTEOSA-N 1 0 361.269 2.287 50 0 FEAARO C[NH+]1CCC(O)(Cn2ccnc2-c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000072144222 541786846 /nfs/dbraw/zinc/78/68/46/541786846.db2.gz CPLDGPYJELNJRD-UHFFFAOYSA-N 1 0 351.353 2.328 50 0 FEAARO Cn1ncc2c1nc(C1CCCC1)nc2N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000072144040 541786869 /nfs/dbraw/zinc/78/68/69/541786869.db2.gz PHHPLHWCAPOEPX-IRXDYDNUSA-N 1 0 370.501 2.056 50 0 FEAARO CC(C)OCC(=O)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072158745 541791313 /nfs/dbraw/zinc/79/13/13/541791313.db2.gz CLHKHURQHPMYJV-MAODMQOUSA-N 1 0 372.465 2.229 50 0 FEAARO O[C@]1(CNc2cc(C(F)(F)F)nc(N3CCCC3)n2)CCC[NH2+]CC1 ZINC000072156198 541791412 /nfs/dbraw/zinc/79/14/12/541791412.db2.gz VWMRFOSHXAARPD-OAHLLOKOSA-N 1 0 359.396 2.012 50 0 FEAARO O=C1OCc2ccc(CN3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)c3cccc1c23 ZINC000072160936 541791731 /nfs/dbraw/zinc/79/17/31/541791731.db2.gz AYLSOZCPZGKRPC-DENIHFKCSA-N 1 0 366.461 2.447 50 0 FEAARO O=C(C[NH+]1CCCCCC1)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000072162476 541792662 /nfs/dbraw/zinc/79/26/62/541792662.db2.gz ZHVWQMBCFPCYCS-UHFFFAOYSA-N 1 0 366.465 2.198 50 0 FEAARO CCc1oc(C(=O)N2CC[C@]3(CN(C)C(=O)O3)C2)cc1C[NH+](CC)CC ZINC000072162825 541792233 /nfs/dbraw/zinc/79/22/33/541792233.db2.gz AYLYKAMTVALXQI-IBGZPJMESA-N 1 0 363.458 2.351 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000072164952 541794023 /nfs/dbraw/zinc/79/40/23/541794023.db2.gz RMPGVDDANAVGTP-CYBMUJFWSA-N 1 0 363.408 2.495 50 0 FEAARO COc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c(F)c1F ZINC000072168884 541795187 /nfs/dbraw/zinc/79/51/87/541795187.db2.gz RDXNCJLLXJZAIH-CYBMUJFWSA-N 1 0 354.397 2.035 50 0 FEAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)NCc1ccc(C)cc1)C2 ZINC000072168662 541794918 /nfs/dbraw/zinc/79/49/18/541794918.db2.gz HDIFEDVQQKOPSU-XLIONFOSSA-N 1 0 359.470 2.212 50 0 FEAARO Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c1 ZINC000072167830 541795346 /nfs/dbraw/zinc/79/53/46/541795346.db2.gz NQXSIYPIAQJNKE-OAQYLSRUSA-N 1 0 367.424 2.110 50 0 FEAARO CCn1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072170455 541795454 /nfs/dbraw/zinc/79/54/54/541795454.db2.gz PBPBICMLLJCYIP-DFQSSKMNSA-N 1 0 366.465 2.311 50 0 FEAARO Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072424292 541810326 /nfs/dbraw/zinc/81/03/26/541810326.db2.gz ACQCBTDHNBEQQX-KRWDZBQOSA-N 1 0 357.458 2.278 50 0 FEAARO [NH3+]CCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072428795 541812089 /nfs/dbraw/zinc/81/20/89/541812089.db2.gz GDCNRHDGBKODAT-OAQYLSRUSA-N 1 0 372.513 2.332 50 0 FEAARO CNc1ncc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072432123 541812582 /nfs/dbraw/zinc/81/25/82/541812582.db2.gz GUTRYNJOANZQBX-UHFFFAOYSA-N 1 0 355.486 2.245 50 0 FEAARO Cc1ncn(-c2cc(NCCNC(=O)c3ccccc3)[nH+]c(C)n2)c1C ZINC000072437364 541814065 /nfs/dbraw/zinc/81/40/65/541814065.db2.gz VEVGCJRAMMHOBF-UHFFFAOYSA-N 1 0 350.426 2.429 50 0 FEAARO COc1ccc([C@H](CCO)n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072435737 541814326 /nfs/dbraw/zinc/81/43/26/541814326.db2.gz CTSYXBDFFWJDQD-IBGZPJMESA-N 1 0 367.453 2.220 50 0 FEAARO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc3cc(F)ccc3n2)C[C@H]1O)C1CC1 ZINC000072473009 541818666 /nfs/dbraw/zinc/81/86/66/541818666.db2.gz RORVVKSWXDNDNI-HNAYVOBHSA-N 1 0 357.429 2.083 50 0 FEAARO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@H]32)o1 ZINC000072474068 541818895 /nfs/dbraw/zinc/81/88/95/541818895.db2.gz XLBRSJFNKKPWLO-PKOBYXMFSA-N 1 0 356.470 2.377 50 0 FEAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000072474162 541818944 /nfs/dbraw/zinc/81/89/44/541818944.db2.gz NWWAIOXYCLXDOH-UHFFFAOYSA-N 1 0 370.844 2.397 50 0 FEAARO Cc1ccnc([C@H](Nc2nc(N(C)C)nc3c2CC[NH2+]CC3)C2CC2)c1 ZINC000072440287 541815242 /nfs/dbraw/zinc/81/52/42/541815242.db2.gz AANOLQWQTKAJSJ-GOSISDBHSA-N 1 0 352.486 2.497 50 0 FEAARO Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000072479235 541821575 /nfs/dbraw/zinc/82/15/75/541821575.db2.gz GILHGFLIVZUYIR-CQSZACIVSA-N 1 0 364.515 2.036 50 0 FEAARO Cc1ccccc1CNc1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072475676 541819593 /nfs/dbraw/zinc/81/95/93/541819593.db2.gz PJDMLEQBHDZFOJ-OAHLLOKOSA-N 1 0 360.483 2.268 50 0 FEAARO Cc1nn(C)c2nc(-c3cccnc3)nc(N(C)C[C@@H]3CCC[N@@H+]3C)c12 ZINC000072475603 541819749 /nfs/dbraw/zinc/81/97/49/541819749.db2.gz MOMRFKXJQOGCIC-HNNXBMFYSA-N 1 0 351.458 2.264 50 0 FEAARO C[NH+](C)CCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072478415 541820378 /nfs/dbraw/zinc/82/03/78/541820378.db2.gz UURAMLXEOUOUNL-OAQYLSRUSA-N 1 0 372.513 2.155 50 0 FEAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 ZINC000072477933 541820648 /nfs/dbraw/zinc/82/06/48/541820648.db2.gz ISWMKCFHHWRQFL-FQEVSTJZSA-N 1 0 374.525 2.461 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccon1)c1cccc2ccccc21 ZINC000010333530 204010599 /nfs/dbraw/zinc/01/05/99/204010599.db2.gz KAKMOLRJGBKOSP-INIZCTEOSA-N 1 0 352.394 2.185 50 0 FEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000003333703 204092046 /nfs/dbraw/zinc/09/20/46/204092046.db2.gz DXZKXXBUXPPNPV-QGZVFWFLSA-N 1 0 366.425 2.212 50 0 FEAARO COc1cc([C@@H]2SCC(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000004176872 204126036 /nfs/dbraw/zinc/12/60/36/204126036.db2.gz YSTZGPKPSRGSDF-KRWDZBQOSA-N 1 0 354.472 2.238 50 0 FEAARO CC1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000004711020 204158250 /nfs/dbraw/zinc/15/82/50/204158250.db2.gz AGERJHKOHXKPJJ-FQEVSTJZSA-N 1 0 371.525 2.316 50 0 FEAARO CCCOC(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](CC)CC)cc1 ZINC000004888442 204172950 /nfs/dbraw/zinc/17/29/50/204172950.db2.gz PIHOUAUNISRNAX-UHFFFAOYSA-N 1 0 363.458 2.040 50 0 FEAARO O[C@H](COC[C@H]1COc2ccccc2O1)C[N@@H+]1CCc2ccccc2C1 ZINC000006576727 204254573 /nfs/dbraw/zinc/25/45/73/204254573.db2.gz HQPGNKIUOKFOLY-OALUTQOASA-N 1 0 355.434 2.262 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000006751931 204266670 /nfs/dbraw/zinc/26/66/70/204266670.db2.gz TVQFXKMAVJCIPR-UHFFFAOYSA-N 1 0 368.481 2.339 50 0 FEAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006882148 204279043 /nfs/dbraw/zinc/27/90/43/204279043.db2.gz CHTTWFRTFVFGMI-AWEZNQCLSA-N 1 0 361.467 2.101 50 0 FEAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NCCCN1CCCC1=O ZINC000008307091 204325479 /nfs/dbraw/zinc/32/54/79/204325479.db2.gz MTBREYPWKYXZHQ-UHFFFAOYSA-N 1 0 357.498 2.070 50 0 FEAARO Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000009338673 204364898 /nfs/dbraw/zinc/36/48/98/204364898.db2.gz TVYUKYXTLXJPCF-UHFFFAOYSA-N 1 0 358.471 2.280 50 0 FEAARO COc1ccc(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1F ZINC000012309018 204449353 /nfs/dbraw/zinc/44/93/53/204449353.db2.gz IQORGBXCNYNJFN-WOJBJXKFSA-N 1 0 373.472 2.339 50 0 FEAARO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000036396392 205015257 /nfs/dbraw/zinc/01/52/57/205015257.db2.gz HSOROQPZGRICPT-UHFFFAOYSA-N 1 0 365.543 2.479 50 0 FEAARO C[N@@H+]1CCN(CCNC(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000036748508 205020866 /nfs/dbraw/zinc/02/08/66/205020866.db2.gz KQUCYHJGRWMTRS-FQEVSTJZSA-N 1 0 352.482 2.475 50 0 FEAARO CCc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc[nH+]cc2)n(C)n1 ZINC000071195713 205026692 /nfs/dbraw/zinc/02/66/92/205026692.db2.gz CMCLITPFDLAPLD-MRXNPFEDSA-N 1 0 350.426 2.371 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(C)n[nH]3)C[C@H]2CCO)c(C)c1C ZINC000039541669 205046706 /nfs/dbraw/zinc/04/67/06/205046706.db2.gz GPKNITQPULUXQN-HXUWFJFHSA-N 1 0 372.513 2.412 50 0 FEAARO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)nc2)CCCC1 ZINC000040287768 205065667 /nfs/dbraw/zinc/06/56/67/205065667.db2.gz NUNYNJHGGIVHLR-UHFFFAOYSA-N 1 0 358.364 2.030 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040355971 205067141 /nfs/dbraw/zinc/06/71/41/205067141.db2.gz RJMOGWJJIATLIM-UHFFFAOYSA-N 1 0 362.430 2.360 50 0 FEAARO COc1cc(C[NH2+]CCCSc2nnnn2C)ccc1OC(C)C ZINC000040744655 205079635 /nfs/dbraw/zinc/07/96/35/205079635.db2.gz YEJVNVRHMDUYFZ-UHFFFAOYSA-N 1 0 351.476 2.278 50 0 FEAARO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743981 205080537 /nfs/dbraw/zinc/08/05/37/205080537.db2.gz SRLKMPUYKVMNNE-OAHLLOKOSA-N 1 0 358.438 2.492 50 0 FEAARO CN1CC[N@H+](CCCNC(=O)Nc2nncs2)[C@H](c2ccccc2)C1 ZINC000043128809 205100869 /nfs/dbraw/zinc/10/08/69/205100869.db2.gz RPQXTNKDQPFTCX-HNNXBMFYSA-N 1 0 360.487 2.038 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000047406827 205146240 /nfs/dbraw/zinc/14/62/40/205146240.db2.gz UODCXAQURKLXRW-HUUCEWRRSA-N 1 0 352.500 2.268 50 0 FEAARO C[C@@H](OCC(F)(F)F)C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048366547 205161287 /nfs/dbraw/zinc/16/12/87/205161287.db2.gz NSYBLNQPKDYRCU-GDBMZVCRSA-N 1 0 373.419 2.059 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCn2cncn2)C1 ZINC000048373990 205162659 /nfs/dbraw/zinc/16/26/59/205162659.db2.gz XZWNBKXQKRZEMN-CALCHBBNSA-N 1 0 355.486 2.463 50 0 FEAARO CC(C)CN(C/C=C/c1ccccc1)C(=O)C[NH+]1CCC(C(N)=O)CC1 ZINC000055244985 205210867 /nfs/dbraw/zinc/21/08/67/205210867.db2.gz QZFAXVDMTNMGFN-RMKNXTFCSA-N 1 0 357.498 2.382 50 0 FEAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc(CN(C)S(C)(=O)=O)o2)c1 ZINC000055342767 205214682 /nfs/dbraw/zinc/21/46/82/205214682.db2.gz VRRXJRUOGOYVBL-OAHLLOKOSA-N 1 0 365.499 2.437 50 0 FEAARO COCCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000057172705 205235723 /nfs/dbraw/zinc/23/57/23/205235723.db2.gz BYRZLJVBYZNVRM-LJQANCHMSA-N 1 0 369.465 2.388 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccccc2)n1)c1cccc(F)c1 ZINC000057498207 205240834 /nfs/dbraw/zinc/24/08/34/205240834.db2.gz GRLXIVFMRAHHLA-GOSISDBHSA-N 1 0 353.401 2.439 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC000058162648 205251935 /nfs/dbraw/zinc/25/19/35/205251935.db2.gz LYKWDUGOPWPVLO-KBXCAEBGSA-N 1 0 370.515 2.493 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(N3CCC(C)=N3)cc2)CC1 ZINC000058196948 205258678 /nfs/dbraw/zinc/25/86/78/205258678.db2.gz KXDOPSCYCAMUMK-UHFFFAOYSA-N 1 0 357.502 2.030 50 0 FEAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2nc(-c3cccnc3)no2)C1 ZINC000058209968 205261885 /nfs/dbraw/zinc/26/18/85/205261885.db2.gz YOTJHRZQFFLCJN-HNNXBMFYSA-N 1 0 357.458 2.301 50 0 FEAARO Cc1cc(C)nc(SCC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000058246499 205267073 /nfs/dbraw/zinc/26/70/73/205267073.db2.gz BRPQPUSBEVFSBD-QGZVFWFLSA-N 1 0 358.511 2.475 50 0 FEAARO C[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)[NH+]1CCC(C)CC1 ZINC000058245812 205267351 /nfs/dbraw/zinc/26/73/51/205267351.db2.gz GQRXYIXHARGGDK-MRXNPFEDSA-N 1 0 356.470 2.023 50 0 FEAARO Cc1nnc(SCCCNc2nc(C)nc3c2CC[NH2+]CC3)s1 ZINC000063882853 205295780 /nfs/dbraw/zinc/29/57/80/205295780.db2.gz TWMPICBSGWHGSH-UHFFFAOYSA-N 1 0 350.517 2.227 50 0 FEAARO CCn1c2c(C(=O)Nc3ccccc3Cl)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966179 205311650 /nfs/dbraw/zinc/31/16/50/205311650.db2.gz DUGZXFOOTPUJOI-UHFFFAOYSA-N 1 0 371.828 2.067 50 0 FEAARO CC[N@H+](CCNC(=O)c1c(C)oc2ncn(C)c(=O)c21)Cc1ccccc1 ZINC000065329572 205337250 /nfs/dbraw/zinc/33/72/50/205337250.db2.gz GLCYGUKREAKAJA-UHFFFAOYSA-N 1 0 368.437 2.087 50 0 FEAARO Cc1ccc(NC(=O)C[NH2+]C[C@H](c2ccccn2)N2CCOCC2)cc1C ZINC000065371173 205340080 /nfs/dbraw/zinc/34/00/80/205340080.db2.gz CNMNFHMOMCTMOG-HXUWFJFHSA-N 1 0 368.481 2.300 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2cccn2-c2ccccn2)CC1 ZINC000065373442 205340903 /nfs/dbraw/zinc/34/09/03/205340903.db2.gz CXSSLAKTBZMKBO-UHFFFAOYSA-N 1 0 352.442 2.157 50 0 FEAARO Cc1[nH+]c(N(C)C)nc(NC[C@@H](c2ccccn2)N2CCOCC2)c1C ZINC000065381333 205342814 /nfs/dbraw/zinc/34/28/14/205342814.db2.gz MRWYBVDQNIZGOY-KRWDZBQOSA-N 1 0 356.474 2.040 50 0 FEAARO Cc1[nH+]c(N(C)C)nc(NC[C@@H](c2cccnc2)N2CCOCC2)c1C ZINC000065405369 205346503 /nfs/dbraw/zinc/34/65/03/205346503.db2.gz ZTXOLRBKNBRJSR-KRWDZBQOSA-N 1 0 356.474 2.040 50 0 FEAARO Cc1ccccc1C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(C2CCOCC2)C1=O ZINC000067490306 205373071 /nfs/dbraw/zinc/37/30/71/205373071.db2.gz KHLCLTYPARWVNH-NRFANRHFSA-N 1 0 371.481 2.007 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000067489587 205373128 /nfs/dbraw/zinc/37/31/28/205373128.db2.gz NZBRHVHJSNAODT-UHFFFAOYSA-N 1 0 362.499 2.455 50 0 FEAARO CCNc1cc(N2CCN(C(=O)c3sc(C)nc3C)CC2)nc(C)[nH+]1 ZINC000067604811 205376915 /nfs/dbraw/zinc/37/69/15/205376915.db2.gz BSKNPEZEDGAJPT-UHFFFAOYSA-N 1 0 360.487 2.253 50 0 FEAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 ZINC000067689101 205383409 /nfs/dbraw/zinc/38/34/09/205383409.db2.gz BIUDXSLJPFEJHX-JOCHJYFZSA-N 1 0 367.493 2.466 50 0 FEAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000067688822 205384106 /nfs/dbraw/zinc/38/41/06/205384106.db2.gz JLCYFKUOXKNDQJ-QRWLVFNGSA-N 1 0 374.444 2.190 50 0 FEAARO COc1ccc2cc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784183 205390241 /nfs/dbraw/zinc/39/02/41/205390241.db2.gz UZSULCKVEGBXPP-INIZCTEOSA-N 1 0 371.481 2.081 50 0 FEAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000067773903 205391054 /nfs/dbraw/zinc/39/10/54/205391054.db2.gz ISRMTXNKVSPVLK-KRWDZBQOSA-N 1 0 356.514 2.345 50 0 FEAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCC[C@H](CNC(C)=O)C3)cc2c1 ZINC000067773715 205391470 /nfs/dbraw/zinc/39/14/70/205391470.db2.gz MYYAMRZOZXGMGN-OAHLLOKOSA-N 1 0 357.454 2.275 50 0 FEAARO CN(CC1(CO)CCOCC1)c1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067790164 205392936 /nfs/dbraw/zinc/39/29/36/205392936.db2.gz XHOZJZSEDOGMSO-UHFFFAOYSA-N 1 0 368.481 2.015 50 0 FEAARO COc1ccc(-c2n[nH]cc2CNc2nc(C)nc3c2CC[NH2+]C3)cc1 ZINC000067821124 205394654 /nfs/dbraw/zinc/39/46/54/205394654.db2.gz DFZAASPGLMEEDM-UHFFFAOYSA-N 1 0 350.426 2.442 50 0 FEAARO CCOC(=O)c1cnn2cc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)cnc12 ZINC000067871463 205399886 /nfs/dbraw/zinc/39/98/86/205399886.db2.gz ZWDAUCYTTFXPPT-CQSZACIVSA-N 1 0 354.414 2.009 50 0 FEAARO CC[NH+](CC)CCNc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 ZINC000071753015 205441932 /nfs/dbraw/zinc/44/19/32/205441932.db2.gz QEKVKFFEZICJLG-UHFFFAOYSA-N 1 0 368.485 2.197 50 0 FEAARO CN(C(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1)C1Cc2ccccc2C1 ZINC000077537458 205611046 /nfs/dbraw/zinc/61/10/46/205611046.db2.gz NYQHLFPAFQKBQW-KRWDZBQOSA-N 1 0 353.470 2.050 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c(O)c1 ZINC000095501051 205770008 /nfs/dbraw/zinc/77/00/08/205770008.db2.gz PDLUWZOIYVTLBW-HNNXBMFYSA-N 1 0 372.469 2.179 50 0 FEAARO CC(C)NS(=O)(=O)c1cccc(C(=O)OCC[NH+]2CCCCC2)c1 ZINC000095947068 205796922 /nfs/dbraw/zinc/79/69/22/205796922.db2.gz GVOMYIIVGWEUTA-UHFFFAOYSA-N 1 0 354.472 2.016 50 0 FEAARO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000108109223 206000753 /nfs/dbraw/zinc/00/07/53/206000753.db2.gz JFJVQXPHDLKODV-CVEARBPZSA-N 1 0 355.404 2.356 50 0 FEAARO CCO[C@H]1C[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1(CC)CC ZINC000236995674 206030069 /nfs/dbraw/zinc/03/00/69/206030069.db2.gz CLWFOTXZURUZKV-IRXDYDNUSA-N 1 0 363.506 2.258 50 0 FEAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1cccnc1 ZINC000043940896 206062252 /nfs/dbraw/zinc/06/22/52/206062252.db2.gz NNGOABLBGOEIIY-UHFFFAOYSA-N 1 0 358.467 2.110 50 0 FEAARO C[NH2+]C[C@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000237324491 206099441 /nfs/dbraw/zinc/09/94/41/206099441.db2.gz YUBNKJKJWDFEBO-CQSZACIVSA-N 1 0 350.894 2.409 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000237319849 206099643 /nfs/dbraw/zinc/09/96/43/206099643.db2.gz NSTRNDCDDDOSQD-LLVKDONJSA-N 1 0 352.378 2.205 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000237356259 206101206 /nfs/dbraw/zinc/10/12/06/206101206.db2.gz RUIOLRABGRHARL-UHFFFAOYSA-N 1 0 365.268 2.208 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)OC[C@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000237554222 206105355 /nfs/dbraw/zinc/10/53/55/206105355.db2.gz ZGLSBIZKPAEMAE-KDOFPFPSSA-N 1 0 369.469 2.113 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000237478030 206105396 /nfs/dbraw/zinc/10/53/96/206105396.db2.gz XWECMAMLCBWCFA-WCQYABFASA-N 1 0 361.305 2.338 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000237212220 206095037 /nfs/dbraw/zinc/09/50/37/206095037.db2.gz WVDAHCHAIJWQOB-NSHDSACASA-N 1 0 352.378 2.205 50 0 FEAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)C[N@@H+]1CCCC[C@H]1C ZINC000004061086 206166332 /nfs/dbraw/zinc/16/63/32/206166332.db2.gz ZPLMXWQEGZCBRV-KUHUBIRLSA-N 1 0 369.465 2.469 50 0 biogenic FEAARO COCC[NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1 ZINC000008734930 206216902 /nfs/dbraw/zinc/21/69/02/206216902.db2.gz INLYTZUVTXHRPH-MRXNPFEDSA-N 1 0 359.451 2.367 50 0 FEAARO CC(=O)NCCNC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000053140561 206232481 /nfs/dbraw/zinc/23/24/81/206232481.db2.gz VASYUTDZOMGEKN-KRWDZBQOSA-N 1 0 363.508 2.009 50 0 FEAARO O=C(c1n[nH]c(=O)c2ccccc21)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000008851750 206247326 /nfs/dbraw/zinc/24/73/26/206247326.db2.gz TUAMVBRMLFBWHA-UHFFFAOYSA-N 1 0 362.433 2.271 50 0 FEAARO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000175554387 206290033 /nfs/dbraw/zinc/29/00/33/206290033.db2.gz SVUZYTREHIHCCG-MRXNPFEDSA-N 1 0 368.485 2.202 50 0 FEAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012676729 206295371 /nfs/dbraw/zinc/29/53/71/206295371.db2.gz RGVNYLIKRRJNIM-FZKQIMNGSA-N 1 0 373.478 2.402 50 0 FEAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012676710 206295624 /nfs/dbraw/zinc/29/56/24/206295624.db2.gz RGVNYLIKRRJNIM-ACJLOTCBSA-N 1 0 373.478 2.402 50 0 FEAARO CCOc1cc2c(cc1C[N@@H+]1CCCN(CC(=O)N(C)C)CC1)CCC2 ZINC000215040801 206344150 /nfs/dbraw/zinc/34/41/50/206344150.db2.gz KKWIGFGHXLXZSQ-UHFFFAOYSA-N 1 0 359.514 2.170 50 0 FEAARO C[C@@H]1CCC[N@H+](CCOc2ccccc2CN2CCS(=O)(=O)CC2)C1 ZINC000215642025 206349256 /nfs/dbraw/zinc/34/92/56/206349256.db2.gz JJVBRLMUSAPQIO-QGZVFWFLSA-N 1 0 366.527 2.028 50 0 FEAARO O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OCCCn3ccnc3)cc1)C2 ZINC000216030515 206353800 /nfs/dbraw/zinc/35/38/00/206353800.db2.gz BPDFJABRSFMVIB-MSOLQXFVSA-N 1 0 354.454 2.063 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3cccn(C)c3=O)O2)CC1 ZINC000216088230 206354106 /nfs/dbraw/zinc/35/41/06/206354106.db2.gz PBOQRNLNULWRFZ-KRWDZBQOSA-N 1 0 373.497 2.095 50 0 FEAARO Fc1ccccc1-n1cc(C[N@@H+]2CCCO[C@H](Cn3cccn3)C2)cn1 ZINC000216101028 206355001 /nfs/dbraw/zinc/35/50/01/206355001.db2.gz WAKKLWKIKTWUQS-KRWDZBQOSA-N 1 0 355.417 2.499 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582382 206379286 /nfs/dbraw/zinc/37/92/86/206379286.db2.gz AXJYPLSKVAAONL-OAQYLSRUSA-N 1 0 367.493 2.479 50 0 FEAARO Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCC2([NH+]3CCCC3)CCCC2)n1 ZINC000219222028 206380711 /nfs/dbraw/zinc/38/07/11/206380711.db2.gz VXYHPJDEEFLOPP-AWEZNQCLSA-N 1 0 364.515 2.084 50 0 FEAARO O=C(Cc1ccc(F)c(F)c1F)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000219512965 206386190 /nfs/dbraw/zinc/38/61/90/206386190.db2.gz VIPVQZJMHMIXOR-JZDMUPLMSA-N 1 0 354.372 2.014 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000219569927 206387703 /nfs/dbraw/zinc/38/77/03/206387703.db2.gz DGGUAEQUNBTCPH-HZPDHXFCSA-N 1 0 374.403 2.100 50 0 FEAARO Cc1cc(N2CCCN(c3cc(C4CC(O)C4)nc(C)n3)CC2)cc[nH+]1 ZINC000219770451 206390459 /nfs/dbraw/zinc/39/04/59/206390459.db2.gz XRRLRGLOYBJFFE-UHFFFAOYSA-N 1 0 353.470 2.443 50 0 FEAARO Cc1cccc(OCC[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1C ZINC000077342303 542369538 /nfs/dbraw/zinc/36/95/38/542369538.db2.gz GOPZYRRNSUWAQU-OAQYLSRUSA-N 1 0 360.498 2.379 50 0 FEAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)CN1C1CC1 ZINC000077407675 542379647 /nfs/dbraw/zinc/37/96/47/542379647.db2.gz VZBIPSNFTKQMTI-NRFANRHFSA-N 1 0 358.482 2.425 50 0 FEAARO O=C(CCNC(=O)c1ccccc1F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077469754 542385554 /nfs/dbraw/zinc/38/55/54/542385554.db2.gz CRMQQBFUMDMGQD-UHFFFAOYSA-N 1 0 361.461 2.423 50 0 FEAARO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c12 ZINC000084758822 542720114 /nfs/dbraw/zinc/72/01/14/542720114.db2.gz HSQMRKHDLYYITK-LJQANCHMSA-N 1 0 360.458 2.095 50 0 FEAARO Cc1cc(C)nc(N2CCC([NH+]3CCN(c4cccnc4)CC3)CC2)n1 ZINC000095363701 132208066 /nfs/dbraw/zinc/20/80/66/132208066.db2.gz IPRCALFGDUEXGP-UHFFFAOYSA-N 1 0 352.486 2.279 50 0 FEAARO O=C1OCCCN1CC[NH2+]C1CCN(c2ncnc3ccsc32)CC1 ZINC000095526184 132214595 /nfs/dbraw/zinc/21/45/95/132214595.db2.gz NEZHNPFPTVHGCL-UHFFFAOYSA-N 1 0 361.471 2.092 50 0 FEAARO C[C@H]1CN(c2cc(C[NH2+]Cc3cccc4c3OCCO4)ccn2)CCO1 ZINC000095963242 132216391 /nfs/dbraw/zinc/21/63/91/132216391.db2.gz MXMKKYBYMDRVHL-HNNXBMFYSA-N 1 0 355.438 2.368 50 0 FEAARO CCCc1cncnc1N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230088949 132288770 /nfs/dbraw/zinc/28/87/70/132288770.db2.gz AFCXHQFYCKQSLJ-OAQYLSRUSA-N 1 0 371.529 2.342 50 0 FEAARO c1cnn(-c2ccccc2C[NH+]2CCN(c3ccc4nccn4n3)CC2)c1 ZINC000244884211 132291671 /nfs/dbraw/zinc/29/16/71/132291671.db2.gz YHNOKRRVJLHJPH-UHFFFAOYSA-N 1 0 359.437 2.237 50 0 FEAARO CSc1ccccc1NC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091326944 542805226 /nfs/dbraw/zinc/80/52/26/542805226.db2.gz NIGLBCJTRWJLNV-GOSISDBHSA-N 1 0 362.499 2.227 50 0 FEAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000091461560 542809268 /nfs/dbraw/zinc/80/92/68/542809268.db2.gz IOIZRBKIJZBXSI-UHFFFAOYSA-N 1 0 366.465 2.401 50 0 FEAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](C1CCCCCC1)CC2 ZINC000091269750 542803130 /nfs/dbraw/zinc/80/31/30/542803130.db2.gz RDJGBPPKWOBEMU-UHFFFAOYSA-N 1 0 366.531 2.241 50 0 FEAARO O=C1CCCN1CCN1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091656639 542817840 /nfs/dbraw/zinc/81/78/40/542817840.db2.gz DXBFWENXYSARSD-YLJYHZDGSA-N 1 0 353.510 2.172 50 0 FEAARO COc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)c1 ZINC000091551610 542812878 /nfs/dbraw/zinc/81/28/78/542812878.db2.gz SSGNCUXDTNCXNQ-UHFFFAOYSA-N 1 0 354.454 2.314 50 0 FEAARO COc1ccc(F)c(F)c1CN1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091574378 542813793 /nfs/dbraw/zinc/81/37/93/542813793.db2.gz AVFSBKWRDUIAPP-HUUCEWRRSA-N 1 0 354.441 2.500 50 0 FEAARO CCN1CC2(CCC1=O)CC[NH+](C[C@H]1Cc3c(nc(C)nc3C)O1)CC2 ZINC000091593027 542814398 /nfs/dbraw/zinc/81/43/98/542814398.db2.gz GSNQCWRUHPLHKC-MRXNPFEDSA-N 1 0 358.486 2.121 50 0 FEAARO O=C(C1CC[NH+](C2CCCC2)CC1)N1CCC2(CC1)OCCC[C@H]2O ZINC000091664951 542818663 /nfs/dbraw/zinc/81/86/63/542818663.db2.gz XNPPPULREVPKNC-GOSISDBHSA-N 1 0 350.503 2.174 50 0 FEAARO C[NH+]1CCC(n2nc(-c3ccc(C(N)=O)cc3)nc2-c2ccccn2)CC1 ZINC000091664926 542819236 /nfs/dbraw/zinc/81/92/36/542819236.db2.gz SQFVDMRXADQGJC-UHFFFAOYSA-N 1 0 362.437 2.373 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1(c3ccc(OC)cc3)CC1)C2 ZINC000091690347 542820382 /nfs/dbraw/zinc/82/03/82/542820382.db2.gz KLDWJPQDOAGOEE-SJLPKXTDSA-N 1 0 358.482 2.296 50 0 FEAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000091713530 542821482 /nfs/dbraw/zinc/82/14/82/542821482.db2.gz WSNHQDVPWJRLKP-SFHVURJKSA-N 1 0 365.543 2.384 50 0 FEAARO COc1cccc(F)c1C(=O)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091736342 542822041 /nfs/dbraw/zinc/82/20/41/542822041.db2.gz ABPUVJXVSHPUBC-CABCVRRESA-N 1 0 350.434 2.001 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(N)nc1)CC2 ZINC000091649732 542817989 /nfs/dbraw/zinc/81/79/89/542817989.db2.gz JHUIASTVAODUGL-UHFFFAOYSA-N 1 0 368.485 2.177 50 0 FEAARO [NH3+][C@H]1CN(Cc2ccccc2OCC(=O)N2CCCCC2)C[C@@H]1C1CC1 ZINC000091876745 542829823 /nfs/dbraw/zinc/82/98/23/542829823.db2.gz NWCNPHUNCLZLIM-MOPGFXCFSA-N 1 0 357.498 2.247 50 0 FEAARO COCC[N@@H+]1C[C@H](NC(=O)c2c(F)cc(OC)cc2F)[C@@H](C(C)C)C1 ZINC000091849201 542828613 /nfs/dbraw/zinc/82/86/13/542828613.db2.gz BWBRLDXIXHHFMI-CJNGLKHVSA-N 1 0 356.413 2.306 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3ccc(OC)cc3n1C)C2 ZINC000091859112 542829460 /nfs/dbraw/zinc/82/94/60/542829460.db2.gz LPAQCPPBQOKKML-NVXWUHKLSA-N 1 0 371.481 2.370 50 0 FEAARO Cc1ccc([C@@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)N(C)C)cc1 ZINC000092065826 542842728 /nfs/dbraw/zinc/84/27/28/542842728.db2.gz FAZSZXTZMKZDLV-FQEVSTJZSA-N 1 0 372.557 2.274 50 0 FEAARO O=C(c1ccc2nccnc2c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091907388 542832204 /nfs/dbraw/zinc/83/22/04/542832204.db2.gz XOTKRGBPJZIEFV-QZTJIDSGSA-N 1 0 368.481 2.186 50 0 FEAARO O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091986301 542834630 /nfs/dbraw/zinc/83/46/30/542834630.db2.gz NQNRMXRNFZXADK-ZWKOTPCHSA-N 1 0 366.465 2.351 50 0 FEAARO CN1C[C@@]2(CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)OC1=O ZINC000092002266 542835858 /nfs/dbraw/zinc/83/58/58/542835858.db2.gz MBVHJGHWBYGRFZ-IBGZPJMESA-N 1 0 359.401 2.474 50 0 FEAARO COc1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)c(F)c1F ZINC000091998188 542835953 /nfs/dbraw/zinc/83/59/53/542835953.db2.gz AQZMLLFVRYZKQA-OCCSQVGLSA-N 1 0 356.413 2.138 50 0 FEAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCCN(c2ncccn2)CC1 ZINC000095368568 542962033 /nfs/dbraw/zinc/96/20/33/542962033.db2.gz KZPCQVJGXNHXGD-LJQANCHMSA-N 1 0 365.481 2.296 50 0 FEAARO C[C@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000058363519 136131551 /nfs/dbraw/zinc/13/15/51/136131551.db2.gz ZEWGPCQVIHRREX-INIZCTEOSA-N 1 0 353.470 2.394 50 0 FEAARO C[C@@H](NC(=O)NCc1cccnc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000058363523 136131623 /nfs/dbraw/zinc/13/16/23/136131623.db2.gz ZEWGPCQVIHRREX-MRXNPFEDSA-N 1 0 353.470 2.394 50 0 FEAARO Cc1cc(N2CCC(Cn3cc(Cc4ccccc4)nn3)CC2)nc(N)[nH+]1 ZINC000063869276 136132969 /nfs/dbraw/zinc/13/29/69/136132969.db2.gz VPPSSZRHJZFKGS-UHFFFAOYSA-N 1 0 363.469 2.466 50 0 FEAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095370691 542962670 /nfs/dbraw/zinc/96/26/70/542962670.db2.gz AFOLVPWCPITKTB-INIZCTEOSA-N 1 0 350.422 2.253 50 0 FEAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[NH2+][C@H](C)C3)nc2)cc1 ZINC000067675106 136137484 /nfs/dbraw/zinc/13/74/84/136137484.db2.gz PEBAVPRKVWZJKA-MRXNPFEDSA-N 1 0 368.481 2.251 50 0 FEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(c3ccnc(N)n3)C2)cc1OC ZINC000072127231 136142202 /nfs/dbraw/zinc/14/22/02/136142202.db2.gz JQQWDDHTPRRKBH-MRXNPFEDSA-N 1 0 371.485 2.219 50 0 FEAARO O=C(N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1)C1(O)CCCCC1 ZINC000072154204 136143070 /nfs/dbraw/zinc/14/30/70/136143070.db2.gz VBQJQKWEQAXZQA-HXUWFJFHSA-N 1 0 371.525 2.495 50 0 FEAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@@H]([NH+](C)C)C3)c12 ZINC000072424561 136146519 /nfs/dbraw/zinc/14/65/19/136146519.db2.gz MHDKWNMKAOJKOZ-CQSZACIVSA-N 1 0 351.458 2.264 50 0 FEAARO OCCOc1ccccc1C[N@@H+]1CCCC12CCN(c1ncccn1)CC2 ZINC000072436150 136147245 /nfs/dbraw/zinc/14/72/45/136147245.db2.gz PUHQUMPSVZLBLZ-UHFFFAOYSA-N 1 0 368.481 2.483 50 0 FEAARO CCc1ccc(C(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000072446642 136148050 /nfs/dbraw/zinc/14/80/50/136148050.db2.gz SIJSHVBBELGGIJ-UHFFFAOYSA-N 1 0 353.470 2.376 50 0 FEAARO COc1ccc(CC(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095354026 542958524 /nfs/dbraw/zinc/95/85/24/542958524.db2.gz VXYONBYIKRACTO-SFHVURJKSA-N 1 0 370.497 2.402 50 0 FEAARO Cc1nn(C)cc1C[NH+]1CCC2(CC(=O)N(Cc3c(C)noc3C)C2)CC1 ZINC000095360540 542960297 /nfs/dbraw/zinc/96/02/97/542960297.db2.gz XNLSJQVMLQBRLW-UHFFFAOYSA-N 1 0 371.485 2.348 50 0 FEAARO O=C(NCc1ccc(-n2cncn2)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095385000 542965829 /nfs/dbraw/zinc/96/58/29/542965829.db2.gz ZJMAAMHQGXCNFA-UHFFFAOYSA-N 1 0 365.437 2.389 50 0 FEAARO Cc1nc(C2CC2)ncc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095385575 542966024 /nfs/dbraw/zinc/96/60/24/542966024.db2.gz CYGCSEYBTLWUDR-MAUKXSAKSA-N 1 0 370.497 2.378 50 0 FEAARO O[C@@H]1CCCOC12CC[NH+](Cc1ccccc1OCCn1ccnc1)CC2 ZINC000095390996 542968095 /nfs/dbraw/zinc/96/80/95/542968095.db2.gz PQYRSNAZAJXGTN-HXUWFJFHSA-N 1 0 371.481 2.468 50 0 FEAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000095391531 542968468 /nfs/dbraw/zinc/96/84/68/542968468.db2.gz FCNJCPGCXZVIPX-GOSISDBHSA-N 1 0 355.482 2.381 50 0 FEAARO CCN1CC[C@@]2(CN(C(=O)N(C)c3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000095387022 542967522 /nfs/dbraw/zinc/96/75/22/542967522.db2.gz YYKPQVUOBOOGLK-HXUWFJFHSA-N 1 0 358.486 2.261 50 0 FEAARO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000095482832 542973098 /nfs/dbraw/zinc/97/30/98/542973098.db2.gz TWBYQOWREZHRTG-GOSISDBHSA-N 1 0 363.417 2.235 50 0 FEAARO NC(=O)Cn1ccnc1[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000095503183 542975022 /nfs/dbraw/zinc/97/50/22/542975022.db2.gz ORTWOTIGPPESGX-CYBMUJFWSA-N 1 0 355.467 2.358 50 0 FEAARO O=C(N1CCN(Cc2ccccc2)C[C@@H](O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000095505576 542976379 /nfs/dbraw/zinc/97/63/79/542976379.db2.gz ACIWZKLYWGZLOH-HXUWFJFHSA-N 1 0 371.525 2.100 50 0 FEAARO O=C(c1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)c1)N1CCOCC1 ZINC000095505699 542976427 /nfs/dbraw/zinc/97/64/27/542976427.db2.gz DECQQQKNNDRMOZ-UHFFFAOYSA-N 1 0 358.486 2.009 50 0 FEAARO C[NH+]1CCN(CCCNC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000095531744 542983349 /nfs/dbraw/zinc/98/33/49/542983349.db2.gz CSWRUPWISMXYEG-UHFFFAOYSA-N 1 0 362.522 2.222 50 0 FEAARO COCC[NH+]1CCC(CN(C)C(=O)[C@H]2CCOc3ccccc3C2)CC1 ZINC000095520037 542979213 /nfs/dbraw/zinc/97/92/13/542979213.db2.gz YNNSNHCLAUXYAB-IBGZPJMESA-N 1 0 360.498 2.445 50 0 FEAARO O=C(c1cnc(-c2cccnc2)nc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095523629 542980332 /nfs/dbraw/zinc/98/03/32/542980332.db2.gz YZFLIBBLUDKJEJ-VQIMIIECSA-N 1 0 363.465 2.485 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)C1 ZINC000095525877 542981119 /nfs/dbraw/zinc/98/11/19/542981119.db2.gz NUGFZVDHVKZBPX-SFHVURJKSA-N 1 0 367.497 2.450 50 0 FEAARO Cc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)c(C)c1=O ZINC000095530248 542981743 /nfs/dbraw/zinc/98/17/43/542981743.db2.gz MNLREEZBHVPUCZ-GOEBONIOSA-N 1 0 372.494 2.071 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCC(c3nccn3CC3CCC3)CC2)CC1 ZINC000095530296 542982212 /nfs/dbraw/zinc/98/22/12/542982212.db2.gz QEFLIHXQAMGREF-UHFFFAOYSA-N 1 0 373.545 2.027 50 0 FEAARO C[NH+](C)[C@@H]1CCN(Cc2nc(-c3ccncc3)nn2CC(F)(F)F)C1 ZINC000096160821 542994517 /nfs/dbraw/zinc/99/45/17/542994517.db2.gz PARKJUMJKDHFTA-CYBMUJFWSA-N 1 0 354.380 2.038 50 0 FEAARO Cc1ccc(-n2cnnc2SCC(=O)N2CCC[N@@H+](C)CC2)cc1C ZINC000097027363 543002509 /nfs/dbraw/zinc/00/25/09/543002509.db2.gz UFQIYTJMWFYGAV-UHFFFAOYSA-N 1 0 359.499 2.140 50 0 FEAARO O[C@H]1COC[C@@H]1[N@@H+]1CCCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000097117595 543004673 /nfs/dbraw/zinc/00/46/73/543004673.db2.gz NGTVOLRMKHGRKI-ROUUACIJSA-N 1 0 361.873 2.156 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1cccc2cccnc21 ZINC000097098774 543004727 /nfs/dbraw/zinc/00/47/27/543004727.db2.gz JVHLXESXHITEQX-INIZCTEOSA-N 1 0 369.469 2.299 50 0 FEAARO c1cc(OCCCN2CCOCC2)ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097155836 543006163 /nfs/dbraw/zinc/00/61/63/543006163.db2.gz JWHXWVQLTUTWJT-JOCHJYFZSA-N 1 0 373.541 2.363 50 0 FEAARO C[C@@H]([NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)c1nnc2n1CCCC2 ZINC000097162461 543006466 /nfs/dbraw/zinc/00/64/66/543006466.db2.gz MXLJRKVHTYZNHD-UONOGXRCSA-N 1 0 367.453 2.340 50 0 FEAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000097618052 543013856 /nfs/dbraw/zinc/01/38/56/543013856.db2.gz HFAJYPCQJZVLLK-MRXNPFEDSA-N 1 0 351.878 2.259 50 0 FEAARO C[NH+](C)Cc1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccc(F)c2)c1 ZINC000097797234 543016832 /nfs/dbraw/zinc/01/68/32/543016832.db2.gz CYJYHKSBEDQBNR-GOSISDBHSA-N 1 0 355.413 2.201 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000097813722 543017003 /nfs/dbraw/zinc/01/70/03/543017003.db2.gz YVTJSTAQZIQWFM-GFCCVEGCSA-N 1 0 370.375 2.158 50 0 FEAARO OC1CC[NH+](CCCNc2ncnc3c2Cc2ccccc2OC3)CC1 ZINC000097499455 543012028 /nfs/dbraw/zinc/01/20/28/543012028.db2.gz ITSANRSEDZYDST-UHFFFAOYSA-N 1 0 354.454 2.219 50 0 FEAARO CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000097499629 543012078 /nfs/dbraw/zinc/01/20/78/543012078.db2.gz RBCLVQQTNYSFGV-GOSISDBHSA-N 1 0 362.518 2.305 50 0 FEAARO O=C(N1[C@@H]2CC[C@H]1C[C@@H](O)C2)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000101788340 543045022 /nfs/dbraw/zinc/04/50/22/543045022.db2.gz IRXIQEZQMUGZMH-ZSHCYNCHSA-N 1 0 364.873 2.355 50 0 FEAARO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1Br ZINC000106380052 543227091 /nfs/dbraw/zinc/22/70/91/543227091.db2.gz CRCIGBAFWVVKIE-CQSZACIVSA-N 1 0 355.276 2.411 50 0 FEAARO Cn1c(SC[C@H]2CC(=O)N(c3ccccc3)C2)nnc1C1CC[NH2+]CC1 ZINC000426690705 263658325 /nfs/dbraw/zinc/65/83/25/263658325.db2.gz PJLZAVHZHJRGIC-AWEZNQCLSA-N 1 0 371.510 2.427 50 0 FEAARO CN(C)c1cc[nH+]cc1C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000183519857 327822392 /nfs/dbraw/zinc/82/23/92/327822392.db2.gz LLNJRRRYLHXALE-UHFFFAOYSA-N 1 0 374.391 2.024 50 0 FEAARO CC(C)C[NH+]1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000079736942 325103826 /nfs/dbraw/zinc/10/38/26/325103826.db2.gz PGCKHPVCHUNFDL-UHFFFAOYSA-N 1 0 372.513 2.292 50 0 FEAARO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574260 325185348 /nfs/dbraw/zinc/18/53/48/325185348.db2.gz JDSWCGYKHWNKDT-AOIWGVFYSA-N 1 0 365.481 2.207 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C(=O)c3ccccc3)cc2C1 ZINC000082137438 519723060 /nfs/dbraw/zinc/72/30/60/519723060.db2.gz XTKPOLZPZOBIGI-UHFFFAOYSA-N 1 0 354.454 2.244 50 0 FEAARO CCCc1nc(C)c(CNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)s1 ZINC000252675897 521494809 /nfs/dbraw/zinc/49/48/09/521494809.db2.gz VJQBZMCXHKOKJQ-BETUJISGSA-N 1 0 362.503 2.368 50 0 FEAARO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(CN2CCCC2=O)CC1 ZINC000082087825 521730072 /nfs/dbraw/zinc/73/00/72/521730072.db2.gz BIOCDCDAWQHOPD-FQEVSTJZSA-N 1 0 369.509 2.294 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000178989216 522090612 /nfs/dbraw/zinc/09/06/12/522090612.db2.gz WFXITDRJXVCAQS-WDEREUQCSA-N 1 0 359.239 2.423 50 0 FEAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000082087111 523187742 /nfs/dbraw/zinc/18/77/42/523187742.db2.gz VZVAUGRJYDRUIM-UHFFFAOYSA-N 1 0 371.533 2.315 50 0 FEAARO C[N@H+](Cc1cccnc1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000015066731 523416682 /nfs/dbraw/zinc/41/66/82/523416682.db2.gz RFSZMYQHKXBLFF-FQEVSTJZSA-N 1 0 357.429 2.206 50 0 FEAARO Cc1ccc(CN2CCN(C(=O)[C@@H](C)C[NH+]3CCCC3)CC2=O)cc1C ZINC000082138630 524456308 /nfs/dbraw/zinc/45/63/08/524456308.db2.gz OOMHFPCDUQSUNC-SFHVURJKSA-N 1 0 357.498 2.206 50 0 FEAARO CC(=O)N1CCc2c(nc(C)nc2N2CCC([C@H](C)[NH+]3CCCC3)CC2)C1 ZINC000071614436 534820164 /nfs/dbraw/zinc/82/01/64/534820164.db2.gz KDHFEWKPEZUGQD-HNNXBMFYSA-N 1 0 371.529 2.390 50 0 FEAARO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091563010 526163660 /nfs/dbraw/zinc/16/36/60/526163660.db2.gz KURKPPHZZWURKK-QGZVFWFLSA-N 1 0 373.497 2.101 50 0 FEAARO O[C@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@H]1N1CCOCC1 ZINC000019746008 526314094 /nfs/dbraw/zinc/31/40/94/526314094.db2.gz WIVNKBOMHHJDHM-ROUUACIJSA-N 1 0 362.857 2.477 50 0 FEAARO NC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@H]2[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244735098 527035456 /nfs/dbraw/zinc/03/54/56/527035456.db2.gz NTACGSOOYOIZKI-MJBXVCDLSA-N 1 0 356.470 2.329 50 0 FEAARO O=C(Cc1ccccn1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091255327 527296098 /nfs/dbraw/zinc/29/60/98/527296098.db2.gz NIDVGWLOXOLHEL-UHFFFAOYSA-N 1 0 353.470 2.285 50 0 FEAARO O[C@@H](COc1ccc(Br)cc1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000241383127 527659225 /nfs/dbraw/zinc/65/92/25/527659225.db2.gz MSTGNFIZWBWADL-JKSUJKDBSA-N 1 0 369.303 2.359 50 0 FEAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[N@@H+]4CCCC[C@H]4C3)c12 ZINC000244691968 527682826 /nfs/dbraw/zinc/68/28/26/527682826.db2.gz JMBLYROKVXBRCA-HNNXBMFYSA-N 1 0 363.469 2.408 50 0 FEAARO CCc1c(C)nc(C)nc1N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072425818 536070121 /nfs/dbraw/zinc/07/01/21/536070121.db2.gz SJHSTVWZPFIREA-OAQYLSRUSA-N 1 0 373.545 2.426 50 0 FEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n2nc(C)c(C)c2n1 ZINC000072421846 536144715 /nfs/dbraw/zinc/14/47/15/536144715.db2.gz IJPRPVPUYAUAPL-GOSISDBHSA-N 1 0 357.502 2.334 50 0 FEAARO CC(C)[NH2+]CCN1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000170607362 546164737 /nfs/dbraw/zinc/16/47/37/546164737.db2.gz ZDYFUEWDWWHLEC-UHFFFAOYSA-N 1 0 353.532 2.114 50 0 FEAARO CCC[C@@H]1CN(c2ccc3nnc(C(C)(C)C)n3n2)CC[N@@H+]1CCOC ZINC000186277064 548112050 /nfs/dbraw/zinc/11/20/50/548112050.db2.gz UEQQDGPXYNNXGC-OAHLLOKOSA-N 1 0 360.506 2.359 50 0 FEAARO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2=O)n1 ZINC000193129517 548379959 /nfs/dbraw/zinc/37/99/59/548379959.db2.gz SAALHTHDGLBVQS-CYBMUJFWSA-N 1 0 357.439 2.422 50 0 FEAARO COCc1nc(NCCC(=O)Nc2ccccc2)cc(C2CC([NH3+])C2)n1 ZINC000222861996 548713012 /nfs/dbraw/zinc/71/30/12/548713012.db2.gz YEFSITCTADSUHS-UHFFFAOYSA-N 1 0 355.442 2.268 50 0 FEAARO CC1=C(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)n2ncnc2N1C ZINC000225703201 548741818 /nfs/dbraw/zinc/74/18/18/548741818.db2.gz BOTWUOCPOKWDPQ-OAHLLOKOSA-N 1 0 360.506 2.334 50 0 FEAARO CCCCc1nc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)c[nH]1 ZINC000230199178 548759013 /nfs/dbraw/zinc/75/90/13/548759013.db2.gz LVCIVUOARZEJTJ-HXUWFJFHSA-N 1 0 361.534 2.271 50 0 FEAARO O=C(C1CC[NH2+]CC1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000236587753 548768223 /nfs/dbraw/zinc/76/82/23/548768223.db2.gz DUSHNCCJUXZCSQ-HNNXBMFYSA-N 1 0 353.260 2.349 50 0 FEAARO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc(OC)c1Br ZINC000237243728 548811263 /nfs/dbraw/zinc/81/12/63/548811263.db2.gz WMJIQMWKXREHIX-GXSJLCMTSA-N 1 0 357.248 2.418 50 0 FEAARO Nc1nc(NCc2ccc(N3CCCC3=O)cc2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000243919501 548889548 /nfs/dbraw/zinc/88/95/48/548889548.db2.gz BOJBWDRGZDPJLO-OTVXOJSOSA-N 1 0 353.426 2.036 50 0 FEAARO C[C@@H](C(=O)Nc1ccccn1)N1CCC(C(=O)NCc2ccco2)CC1 ZINC000244700892 548892581 /nfs/dbraw/zinc/89/25/81/548892581.db2.gz JVWAVIKRFUDRLU-AWEZNQCLSA-N 1 0 356.426 2.030 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)Nc1nccs1 ZINC000244691916 548893074 /nfs/dbraw/zinc/89/30/74/548893074.db2.gz JLCMMZWLMHQZSL-ZDUSSCGKSA-N 1 0 356.455 2.394 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(C(=O)COc1ccc(Cl)cc1)CC2 ZINC000244719036 548894241 /nfs/dbraw/zinc/89/42/41/548894241.db2.gz LVRPTSBCWUEOQG-UHFFFAOYSA-N 1 0 365.905 2.347 50 0 FEAARO CCc1nn2c(nc(C[N@H+](C)C[C@H]3Cc4ccccc4O3)cc2=O)s1 ZINC000252495593 549670294 /nfs/dbraw/zinc/67/02/94/549670294.db2.gz OUDMBIGZTRSIHO-CQSZACIVSA-N 1 0 356.451 2.149 50 0 FEAARO Cc1ccn2ncc(C(=O)NC[C@@H]3CCC[N@@H+]3CCc3ccccc3)c2n1 ZINC000253393701 549685704 /nfs/dbraw/zinc/68/57/04/549685704.db2.gz AXQYWFKQZVPEBO-SFHVURJKSA-N 1 0 363.465 2.475 50 0 FEAARO COC(=O)C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2)CC1 ZINC000253425836 549688290 /nfs/dbraw/zinc/68/82/90/549688290.db2.gz DWTWRFGRRPESMF-MRXNPFEDSA-N 1 0 362.470 2.319 50 0 FEAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)c(=O)[nH]1 ZINC000253536567 549691898 /nfs/dbraw/zinc/69/18/98/549691898.db2.gz ICRJQTZYVCWFSC-OAHLLOKOSA-N 1 0 361.417 2.187 50 0 FEAARO CC(C)C(=O)N1CCc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)n2CC1 ZINC000257175265 549711682 /nfs/dbraw/zinc/71/16/82/549711682.db2.gz OILRKQHTAZFLND-SFHVURJKSA-N 1 0 367.497 2.308 50 0 FEAARO Cc1cnc(CC[C@H]2CCCN2C(=O)CN2CCCC2=O)n1CC1CC1 ZINC000257180843 549712765 /nfs/dbraw/zinc/71/27/65/549712765.db2.gz DXFNVYYABJEULE-QGZVFWFLSA-N 1 0 358.486 2.148 50 0 FEAARO CO[C@H]1C[N@H+](C2CCN(C(=O)NC3CCCCC3)CC2)C12CCOCC2 ZINC000257181157 549712912 /nfs/dbraw/zinc/71/29/12/549712912.db2.gz MPCXPFSNAYRWFM-SFHVURJKSA-N 1 0 365.518 2.373 50 0 FEAARO CC(=O)N1C[C@@H]2CC[N@H+](CCc3ccccc3)C[C@]2(c2nc(C)no2)C1 ZINC000257194743 549716703 /nfs/dbraw/zinc/71/67/03/549716703.db2.gz UPFPNIWFXJFTDD-ICSRJNTNSA-N 1 0 354.454 2.043 50 0 FEAARO C[C@H](c1ccccc1)[C@](C)(O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000279154220 550859648 /nfs/dbraw/zinc/85/96/48/550859648.db2.gz DVPVPQPMYYRQTI-LZJOCLMNSA-N 1 0 360.498 2.253 50 0 FEAARO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000284957649 551676961 /nfs/dbraw/zinc/67/69/61/551676961.db2.gz ZPCNGRFTPYIEQC-HNNXBMFYSA-N 1 0 359.470 2.266 50 0 FEAARO Cc1ccnc(SCC(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000299758023 553610832 /nfs/dbraw/zinc/61/08/32/553610832.db2.gz KCGWUXYTAHLKII-OAHLLOKOSA-N 1 0 356.495 2.440 50 0 FEAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)c1cccc(-c2cncnc2)c1 ZINC000299757202 553611199 /nfs/dbraw/zinc/61/11/99/553611199.db2.gz JAEBBGNMWQOASK-IBGZPJMESA-N 1 0 354.454 2.110 50 0 FEAARO O=C(NC[C@@]1(O)CC[NH2+]C1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000299770146 553612810 /nfs/dbraw/zinc/61/28/10/553612810.db2.gz LXTOHZWJKVEEAI-HXUWFJFHSA-N 1 0 352.438 2.375 50 0 FEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000299773941 553612929 /nfs/dbraw/zinc/61/29/29/553612929.db2.gz GJSRETDSKRGUDR-UHFFFAOYSA-N 1 0 360.385 2.255 50 0 FEAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC[C@@]1(O)CCC[NH2+]C1 ZINC000299775337 553613209 /nfs/dbraw/zinc/61/32/09/553613209.db2.gz DOOBNLNMWLCMDL-OAHLLOKOSA-N 1 0 361.364 2.340 50 0 FEAARO CO[C@]12CC[N@H+](CCn3cnc4ccccc43)[C@H]1C[C@H](OCCO)CC2 ZINC000299779954 553614013 /nfs/dbraw/zinc/61/40/13/553614013.db2.gz JDRYGWBHEFNKFI-LSTHTHJFSA-N 1 0 359.470 2.057 50 0 FEAARO CC1(C)C[C@@H](C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)CCO1 ZINC000299788194 553614291 /nfs/dbraw/zinc/61/42/91/553614291.db2.gz XQHLTOBZSBNYGX-HNNXBMFYSA-N 1 0 356.474 2.306 50 0 FEAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000299802571 553616222 /nfs/dbraw/zinc/61/62/22/553616222.db2.gz ZFWIFFFQWGEOQO-UHFFFAOYSA-N 1 0 366.509 2.281 50 0 FEAARO O=C(c1ccc(C[NH2+]Cc2ccc3occc3c2)cc1)N1CCNC(=O)C1 ZINC000512087354 561891768 /nfs/dbraw/zinc/89/17/68/561891768.db2.gz ITSBNBKXUWIETF-UHFFFAOYSA-N 1 0 363.417 2.295 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1c(F)cccc1Cl ZINC000426526024 559736880 /nfs/dbraw/zinc/73/68/80/559736880.db2.gz IVZKGHSLAWLARR-LBPRGKRZSA-N 1 0 350.825 2.459 50 0 FEAARO CC(C)(C[NH+]1CCCC1)NC(=O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000426612850 559738965 /nfs/dbraw/zinc/73/89/65/559738965.db2.gz NQUFSICLXPKVJA-UHFFFAOYSA-N 1 0 360.502 2.094 50 0 FEAARO Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000426634134 559739252 /nfs/dbraw/zinc/73/92/52/559739252.db2.gz ZITNSSBFNCXRPD-AWEZNQCLSA-N 1 0 369.473 2.276 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000426690515 559740327 /nfs/dbraw/zinc/74/03/27/559740327.db2.gz DPFVRVSKAQKAFH-UHFFFAOYSA-N 1 0 356.470 2.037 50 0 FEAARO CN(Cc1ccc2nsnc2c1)C(=O)Cc1ccc(OCC[NH3+])cc1 ZINC000426684581 559740349 /nfs/dbraw/zinc/74/03/49/559740349.db2.gz WTKUZZYZBDRHHU-UHFFFAOYSA-N 1 0 356.451 2.230 50 0 FEAARO C[N@H+](CCNC(=O)N1CCC[C@@H](Cn2ccnc2)C1)CCc1ccccc1 ZINC000426701412 559740570 /nfs/dbraw/zinc/74/05/70/559740570.db2.gz LIEGYQYIQASFJB-FQEVSTJZSA-N 1 0 369.513 2.479 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2nc(-c3ccncc3)no2)C1 ZINC000426730372 559741111 /nfs/dbraw/zinc/74/11/11/559741111.db2.gz HHTPHULDUKZLOO-OAHLLOKOSA-N 1 0 372.473 2.251 50 0 FEAARO C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659012 562299339 /nfs/dbraw/zinc/29/93/39/562299339.db2.gz NFVJKXBNAVGUBS-BVBHFADKSA-N 1 0 371.529 2.306 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)CC1 ZINC000534577676 562537174 /nfs/dbraw/zinc/53/71/74/562537174.db2.gz VSNBVNAWSVAJOZ-WOJBJXKFSA-N 1 0 366.465 2.270 50 0 FEAARO CN(Cc1nc(-c2ccncc2)no1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000534577197 562537323 /nfs/dbraw/zinc/53/73/23/562537323.db2.gz CUBSVLZZXHDUGL-UHFFFAOYSA-N 1 0 358.446 2.147 50 0 FEAARO CC(C)(Cc1ccc(F)cc1)NC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000534642915 562539015 /nfs/dbraw/zinc/53/90/15/562539015.db2.gz BNTPHHCICLMLQD-ROUUACIJSA-N 1 0 363.477 2.387 50 0 FEAARO CN(C(=O)c1cccc(-c2ccc(-n3cnnc3)nc2)c1)[C@H]1CC[N@H+](C)C1 ZINC000534673742 562540110 /nfs/dbraw/zinc/54/01/10/562540110.db2.gz BBAVAKCHIXZESI-SFHVURJKSA-N 1 0 362.437 2.105 50 0 FEAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000123680042 568254395 /nfs/dbraw/zinc/25/43/95/568254395.db2.gz GSWMBNYWFHWZNM-QFBILLFUSA-N 1 0 372.513 2.481 50 0 FEAARO C#CCN1CCCC[C@H]1C(=O)NNc1nc(-c2cccnc2)nc(C)c1C ZINC000072290891 570523028 /nfs/dbraw/zinc/52/30/28/570523028.db2.gz RKPOWUUUKZMTIX-KRWDZBQOSA-N 1 0 364.453 2.086 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000107362906 570896733 /nfs/dbraw/zinc/89/67/33/570896733.db2.gz QLGHUPGMYUCMOM-VQTJNVASSA-N 1 0 371.525 2.314 50 0 FEAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946446 570966442 /nfs/dbraw/zinc/96/64/42/570966442.db2.gz YGMHZJSMAJQRAU-MRXNPFEDSA-N 1 0 351.466 2.284 50 0 FEAARO CCCN(CCC)C(=O)c1cc(NC(=O)CC)cnc1N1CC[NH2+]CC1 ZINC000021704819 571144520 /nfs/dbraw/zinc/14/45/20/571144520.db2.gz UHCQDACLXXNWPH-UHFFFAOYSA-N 1 0 361.490 2.102 50 0 FEAARO Cc1ccsc1C(=O)N(CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000033032847 571146449 /nfs/dbraw/zinc/14/64/49/571146449.db2.gz FYYGQLFFAXMKPJ-UHFFFAOYSA-N 1 0 357.479 2.131 50 0 FEAARO COCCn1nnnc1C1([NH2+]CCc2c[nH]c3ccccc23)CCCC1 ZINC000575443911 571152974 /nfs/dbraw/zinc/15/29/74/571152974.db2.gz WBRKPEOUDHDTAU-UHFFFAOYSA-N 1 0 354.458 2.402 50 0 FEAARO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)c1cncc(Br)c1 ZINC000575605419 571163420 /nfs/dbraw/zinc/16/34/20/571163420.db2.gz FKNYPZZYAAOPHU-HNNXBMFYSA-N 1 0 368.275 2.075 50 0 FEAARO Cc1ccnc2nc(C(=O)NC3CC[NH+]([C@H](C)c4ccccc4)CC3)nn21 ZINC000116068095 571164244 /nfs/dbraw/zinc/16/42/44/571164244.db2.gz IJWOIOVAWJBLNF-OAHLLOKOSA-N 1 0 364.453 2.388 50 0 FEAARO CC(=O)N1CCC([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000121866213 571179368 /nfs/dbraw/zinc/17/93/68/571179368.db2.gz MJSIHJURQCPCOJ-IYBDPMFKSA-N 1 0 373.497 2.037 50 0 FEAARO COCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000426412523 571221783 /nfs/dbraw/zinc/22/17/83/571221783.db2.gz XGHHYOBQTSJLCO-LJQANCHMSA-N 1 0 350.434 2.295 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCC(Oc3ncccn3)CC2)C1 ZINC000584897341 571315608 /nfs/dbraw/zinc/31/56/08/571315608.db2.gz BBDIBTQBLDNVFP-HNNXBMFYSA-N 1 0 361.490 2.150 50 0 FEAARO Cc1csc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1 ZINC000585094381 571320408 /nfs/dbraw/zinc/32/04/08/571320408.db2.gz UOABSDXCSZVMDX-AWEZNQCLSA-N 1 0 358.529 2.320 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000020204921 670030240 /nfs/dbraw/zinc/03/02/40/670030240.db2.gz APPHQUKBRPXMLW-QGZVFWFLSA-N 1 0 353.532 2.032 50 0 FEAARO CS(=O)(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000169782002 672322129 /nfs/dbraw/zinc/32/21/29/672322129.db2.gz CBNFEVANSLDJTR-AWEZNQCLSA-N 1 0 358.454 2.458 50 0 FEAARO C[NH+](C)[C@@H]1CN(Cc2ccc(F)cc2F)CC[C@@H]1CNC(=O)C1CC1 ZINC000169788854 672322561 /nfs/dbraw/zinc/32/25/61/672322561.db2.gz DPPBIMKZCQTPNG-RDTXWAMCSA-N 1 0 351.441 2.243 50 0 FEAARO Nc1cc[nH+]cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000188028896 672581657 /nfs/dbraw/zinc/58/16/57/672581657.db2.gz CBJITULNKWDBKK-UHFFFAOYSA-N 1 0 351.332 2.040 50 0 FEAARO CCN(C)[C@H](C)c1nc(CC(N)=O)nn1-c1ccc(C(F)(F)F)cc1 ZINC000952964410 681792725 /nfs/dbraw/zinc/79/27/25/681792725.db2.gz QBRAYEQRJWULKG-SNVBAGLBSA-N 1 0 355.364 2.327 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCCc2c3cc(OC(C)=O)ccc3oc(=O)c21 ZINC000004625195 539389240 /nfs/dbraw/zinc/38/92/40/539389240.db2.gz AOHCSFRORYABRP-UHFFFAOYSA-N 1 0 372.421 2.339 50 0 FEAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000011874460 539537293 /nfs/dbraw/zinc/53/72/93/539537293.db2.gz OYGLUDOEHRZBBX-LJQANCHMSA-N 1 0 357.498 2.068 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1 ZINC000012429986 539559379 /nfs/dbraw/zinc/55/93/79/539559379.db2.gz JRHIYVGDZKCKAN-ZDUSSCGKSA-N 1 0 369.431 2.321 50 0 FEAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 ZINC000012429891 539558866 /nfs/dbraw/zinc/55/88/66/539558866.db2.gz VCSDZDCWRBAFOO-KRWDZBQOSA-N 1 0 364.453 2.457 50 0 FEAARO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)on1 ZINC000012702825 539570272 /nfs/dbraw/zinc/57/02/72/539570272.db2.gz ROPFHLFZGOPZDN-IBGZPJMESA-N 1 0 361.417 2.108 50 0 FEAARO C[C@H](C(=O)NCCN1C(=O)CSC1=O)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014095909 539594934 /nfs/dbraw/zinc/59/49/34/539594934.db2.gz YHOKXMFBWRKOIW-VXGBXAGGSA-N 1 0 367.496 2.085 50 0 FEAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C1CCOCC1)CC2 ZINC000014531374 539604200 /nfs/dbraw/zinc/60/42/00/539604200.db2.gz TVZMMLUHDNCIMC-UHFFFAOYSA-N 1 0 371.481 2.137 50 0 FEAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H]([NH2+]CC1CC1)CC2 ZINC000014751318 539605215 /nfs/dbraw/zinc/60/52/15/539605215.db2.gz VMOOFEBNSLVVQU-QGZVFWFLSA-N 1 0 352.482 2.342 50 0 FEAARO CCC[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cccnc3)n2CC1 ZINC000014961239 539607958 /nfs/dbraw/zinc/60/79/58/539607958.db2.gz FHILIDBLHXGPOC-QGZVFWFLSA-N 1 0 370.501 2.458 50 0 FEAARO COc1cc(C[C@H]2CC(C[NH2+]CC3CCOCC3)=NO2)cc2c1OCO2 ZINC000015085782 539611686 /nfs/dbraw/zinc/61/16/86/539611686.db2.gz MKSDHDCWWWKTFP-INIZCTEOSA-N 1 0 362.426 2.128 50 0 FEAARO CSc1ccc2nc(N3CC[NH+](CCOCCO)CC3)cc(C)c2c1 ZINC000016667363 539635767 /nfs/dbraw/zinc/63/57/67/539635767.db2.gz RSFQQANXNHPKKR-UHFFFAOYSA-N 1 0 361.511 2.396 50 0 FEAARO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)COc1ccc(Br)cc1 ZINC000019367818 539655720 /nfs/dbraw/zinc/65/57/20/539655720.db2.gz FIPQYVPSHGCNDX-ZDUSSCGKSA-N 1 0 371.275 2.007 50 0 FEAARO Ic1ccc(OCCCCN2CC[NH2+]CC2)cc1 ZINC000020272414 539673322 /nfs/dbraw/zinc/67/33/22/539673322.db2.gz RTGZLGKSTVXUKW-UHFFFAOYSA-N 1 0 360.239 2.355 50 0 FEAARO CCN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1 ZINC000020504037 539674829 /nfs/dbraw/zinc/67/48/29/539674829.db2.gz PTJPHLOIVZIECA-UHFFFAOYSA-N 1 0 355.427 2.317 50 0 FEAARO O=C(CN(Cc1ccc(F)cc1)C(=O)c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000021535051 539684470 /nfs/dbraw/zinc/68/44/70/539684470.db2.gz WAJGIQDYKYCZAX-UHFFFAOYSA-N 1 0 373.403 2.039 50 0 FEAARO Cc1cc(NC(=O)[C@@H]([NH2+]CC(C)(C)N2CCOCC2)c2ccccc2)no1 ZINC000022912151 539702139 /nfs/dbraw/zinc/70/21/39/539702139.db2.gz CVEHYJXLORPYGM-SFHVURJKSA-N 1 0 372.469 2.363 50 0 FEAARO C[NH+]1CCC(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000023242143 539709400 /nfs/dbraw/zinc/70/94/00/539709400.db2.gz HVNUJKWSGDECNN-CQSZACIVSA-N 1 0 353.875 2.353 50 0 FEAARO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 ZINC000024926863 539744605 /nfs/dbraw/zinc/74/46/05/539744605.db2.gz HUJAJYPKCKXTSZ-QGZVFWFLSA-N 1 0 367.515 2.281 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccsc1 ZINC000025332399 539755636 /nfs/dbraw/zinc/75/56/36/539755636.db2.gz ACUCSYPMMGWSOI-GDBMZVCRSA-N 1 0 359.499 2.174 50 0 FEAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(=O)n(C)n2)c2cccs2)CC1 ZINC000027574937 539810290 /nfs/dbraw/zinc/81/02/90/539810290.db2.gz AVWCGHBBRCRHDH-OAHLLOKOSA-N 1 0 360.483 2.045 50 0 FEAARO CNC(=O)c1ccc(/C=C/C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030317346 539879301 /nfs/dbraw/zinc/87/93/01/539879301.db2.gz YYVDJRPXLBAJEH-DHZHZOJOSA-N 1 0 363.461 2.234 50 0 FEAARO CS(=O)(=O)N1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000030656019 539888803 /nfs/dbraw/zinc/88/88/03/539888803.db2.gz VMUDVBKOYYUZTR-UHFFFAOYSA-N 1 0 353.307 2.024 50 0 FEAARO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000030900487 539893928 /nfs/dbraw/zinc/89/39/28/539893928.db2.gz JOCFWNBNJRVZQM-UHFFFAOYSA-N 1 0 363.465 2.453 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000032498046 539941719 /nfs/dbraw/zinc/94/17/19/539941719.db2.gz ADPATWHMAUUQKF-UHFFFAOYSA-N 1 0 358.421 2.344 50 0 FEAARO COc1cccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2=O)c1 ZINC000032931220 539960476 /nfs/dbraw/zinc/96/04/76/539960476.db2.gz YEDRDEYZDJTZDM-IAGOWNOFSA-N 1 0 373.497 2.286 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c1=O ZINC000033005265 539963187 /nfs/dbraw/zinc/96/31/87/539963187.db2.gz NDEZMJDBHWGNJQ-MRXNPFEDSA-N 1 0 370.497 2.333 50 0 FEAARO CCCNC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035380329 539981605 /nfs/dbraw/zinc/98/16/05/539981605.db2.gz TWPQSLJVCRVKOF-RJYAGPCLSA-N 1 0 357.498 2.150 50 0 FEAARO Cc1cccc(-c2ncc(C(=O)NCC[NH+](C)C)c(N3CCCC3)n2)c1 ZINC000035988560 539985080 /nfs/dbraw/zinc/98/50/80/539985080.db2.gz HOTAUMKQMICULY-UHFFFAOYSA-N 1 0 353.470 2.344 50 0 FEAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000051449899 540434669 /nfs/dbraw/zinc/43/46/69/540434669.db2.gz PUHPRFLWXXIJGR-QGZVFWFLSA-N 1 0 361.486 2.039 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC(=O)OC12CCCC2 ZINC000299800383 223104977 /nfs/dbraw/zinc/10/49/77/223104977.db2.gz WDYRQFWKKHPBOT-KRWDZBQOSA-N 1 0 357.454 2.038 50 0 FEAARO Cn1ccn2ncc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+]3CCCC3)c12 ZINC000299798909 223102760 /nfs/dbraw/zinc/10/27/60/223102760.db2.gz RWYUBISDVATFLI-QGZVFWFLSA-N 1 0 355.417 2.379 50 0 FEAARO C[C@@H](NC(=O)C1CCOCC1)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000066927447 541396070 /nfs/dbraw/zinc/39/60/70/541396070.db2.gz TVGMQHDJDLLMAK-OAHLLOKOSA-N 1 0 359.470 2.152 50 0 FEAARO Cc1c(C[N@H+](C)Cc2[nH]nc3c2CCC3)c2ccccc2n1CC(N)=O ZINC000067883506 541524748 /nfs/dbraw/zinc/52/47/48/541524748.db2.gz NWIFCQHWSGAURN-UHFFFAOYSA-N 1 0 351.454 2.279 50 0 FEAARO Cc1cc(F)ccc1NC(=O)C[NH2+][C@@H](C)Cn1cnc2ccccc2c1=O ZINC000067966773 541533760 /nfs/dbraw/zinc/53/37/60/541533760.db2.gz RJEGCTNGKHRGRI-AWEZNQCLSA-N 1 0 368.412 2.461 50 0 FEAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000067966945 541534354 /nfs/dbraw/zinc/53/43/54/541534354.db2.gz JHVLZVBFUUGOFF-INIZCTEOSA-N 1 0 364.457 2.069 50 0 FEAARO CCc1cc(CN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)[nH]n1 ZINC000071575603 541768731 /nfs/dbraw/zinc/76/87/31/541768731.db2.gz ZMUIWNAHTWHLEY-UHFFFAOYSA-N 1 0 373.545 2.271 50 0 FEAARO O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000072140541 541785921 /nfs/dbraw/zinc/78/59/21/541785921.db2.gz IPHGWVDWQYQVMA-INIZCTEOSA-N 1 0 371.868 2.390 50 0 FEAARO Cc1cc2occ(CC(=O)N3CC[C@](O)(C[NH+](C)C)C3)c2cc1Cl ZINC000072150722 541790040 /nfs/dbraw/zinc/79/00/40/541790040.db2.gz LHKKXMSMUISXRX-SFHVURJKSA-N 1 0 350.846 2.462 50 0 FEAARO O=C(COc1ccc(F)cc1)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072152997 541790943 /nfs/dbraw/zinc/79/09/43/541790943.db2.gz WSGQHCJSXUADCV-UXHICEINSA-N 1 0 370.424 2.058 50 0 FEAARO COc1ccccc1[C@H]1CN(C(=O)N2CCOCC2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072154924 541790876 /nfs/dbraw/zinc/79/08/76/541790876.db2.gz QVQXUGCIXCSENF-MISYRCLQSA-N 1 0 371.481 2.009 50 0 FEAARO CC(=O)NCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165421 541794360 /nfs/dbraw/zinc/79/43/60/541794360.db2.gz KKFIJBKOLZWJHC-LJQANCHMSA-N 1 0 363.477 2.411 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)c3cc(N)n[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072167901 541795057 /nfs/dbraw/zinc/79/50/57/541795057.db2.gz JGKJLJUNHBGJDS-KFKAGJAMSA-N 1 0 351.454 2.003 50 0 FEAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(CC(C)C)n[nH]3)CC[C@H]21 ZINC000072407241 541805658 /nfs/dbraw/zinc/80/56/58/541805658.db2.gz NLOMVWIPSLVCDY-QFBILLFUSA-N 1 0 362.518 2.458 50 0 FEAARO c1cnn(CCNc2ncnc3c2CC[N@H+](Cc2ccsc2)CC3)c1 ZINC000072423120 541810207 /nfs/dbraw/zinc/81/02/07/541810207.db2.gz NHEGOEPWVSJPBA-UHFFFAOYSA-N 1 0 354.483 2.448 50 0 FEAARO COc1ccc([C@@H]([NH3+])CC(=O)N2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000072426754 541810822 /nfs/dbraw/zinc/81/08/22/541810822.db2.gz FOIFLICIKDJNPU-HNNXBMFYSA-N 1 0 358.442 2.223 50 0 FEAARO COC(=O)c1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000299756953 203751715 /nfs/dbraw/zinc/75/17/15/203751715.db2.gz IYBSQJBFTIXUQS-QGZVFWFLSA-N 1 0 361.442 2.238 50 0 FEAARO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000072454487 541817115 /nfs/dbraw/zinc/81/71/15/541817115.db2.gz DATVAOQZKRXKCW-BETUJISGSA-N 1 0 359.813 2.350 50 0 FEAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC000072476486 541819151 /nfs/dbraw/zinc/81/91/51/541819151.db2.gz QZTCIJAUBIAAIE-IBGZPJMESA-N 1 0 360.498 2.213 50 0 FEAARO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004100069 204121208 /nfs/dbraw/zinc/12/12/08/204121208.db2.gz KJILWBZUTQOJFA-HXUWFJFHSA-N 1 0 371.525 2.460 50 0 FEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000003458914 204102707 /nfs/dbraw/zinc/10/27/07/204102707.db2.gz MSYJJPJSWQETJV-HNNXBMFYSA-N 1 0 352.394 2.083 50 0 FEAARO CC[NH+](CC)CCNC(=O)COc1cc(C)c(C(=O)OC)c(C)c1C ZINC000006416277 204248732 /nfs/dbraw/zinc/24/87/32/204248732.db2.gz UMPVVNYMOZGQTE-UHFFFAOYSA-N 1 0 350.459 2.235 50 0 FEAARO COc1ccc(CC[NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)cc1OC ZINC000006626763 204257104 /nfs/dbraw/zinc/25/71/04/204257104.db2.gz PNCCGDXXTWDVPH-SFHVURJKSA-N 1 0 373.449 2.478 50 0 FEAARO Nc1cc(N)[nH+]c(SCc2cc3c(cc2Br)OCO3)n1 ZINC000007692719 204302974 /nfs/dbraw/zinc/30/29/74/204302974.db2.gz AAYPZABPXHIFIU-UHFFFAOYSA-N 1 0 355.217 2.425 50 0 FEAARO COc1ccc([C@H]2CCCN2CC(=O)NC(=O)NCC(C)C)c(OC)c1 ZINC000007740275 204305365 /nfs/dbraw/zinc/30/53/65/204305365.db2.gz MARMKVRBQFKCHK-MRXNPFEDSA-N 1 0 363.458 2.323 50 0 FEAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(OC)c1OC ZINC000009015586 204352124 /nfs/dbraw/zinc/35/21/24/204352124.db2.gz OTHLDBRZPXOSIW-MRXNPFEDSA-N 1 0 353.382 2.158 50 0 FEAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCCN(c2ncccn2)CC1 ZINC000019607205 204695371 /nfs/dbraw/zinc/69/53/71/204695371.db2.gz XQWIMHHQVMIZAO-AWEZNQCLSA-N 1 0 357.483 2.315 50 0 FEAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036095038 205003759 /nfs/dbraw/zinc/00/37/59/205003759.db2.gz WPKJVNONCNKBNM-QGZVFWFLSA-N 1 0 355.475 2.186 50 0 FEAARO Cc1ccccc1Oc1ncccc1CNC(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000039510599 205046393 /nfs/dbraw/zinc/04/63/93/205046393.db2.gz OCZGWIUZBPYBCQ-GOSISDBHSA-N 1 0 368.481 2.434 50 0 FEAARO Cc1nnnn1-c1cccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000040105032 205055468 /nfs/dbraw/zinc/05/54/68/205055468.db2.gz ZRVHXOXGWYKIGY-MRXNPFEDSA-N 1 0 371.470 2.457 50 0 FEAARO O=C(c1ccccc1OC(F)F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040117599 205057084 /nfs/dbraw/zinc/05/70/84/205057084.db2.gz VENIOEQATSMIFE-UHFFFAOYSA-N 1 0 354.397 2.472 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccccc1C[NH+](C)C ZINC000040120605 205058152 /nfs/dbraw/zinc/05/81/52/205058152.db2.gz YTPVTUZELQNALF-UHFFFAOYSA-N 1 0 365.441 2.354 50 0 FEAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H](O)c2ccc(O)cc2)cc1 ZINC000040162333 205062015 /nfs/dbraw/zinc/06/20/15/205062015.db2.gz RETXRGRLCBRPFM-IQVOZAENSA-N 1 0 373.449 2.436 50 0 FEAARO C[NH+](C)CCCn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391371 205067454 /nfs/dbraw/zinc/06/74/54/205067454.db2.gz PPEFLWNDHGXQCD-UHFFFAOYSA-N 1 0 366.400 2.197 50 0 FEAARO C[NH+](C)CCn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040396552 205068703 /nfs/dbraw/zinc/06/87/03/205068703.db2.gz TZAIUHPUKZWGRG-UHFFFAOYSA-N 1 0 351.385 2.412 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000042385762 205095140 /nfs/dbraw/zinc/09/51/40/205095140.db2.gz XMEAESVNXWXJBW-AEFFLSMTSA-N 1 0 363.477 2.439 50 0 FEAARO Cc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000299738387 205116397 /nfs/dbraw/zinc/11/63/97/205116397.db2.gz ABVNZDJBRRFISE-CQSZACIVSA-N 1 0 363.259 2.377 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 ZINC000048310219 205158808 /nfs/dbraw/zinc/15/88/08/205158808.db2.gz JBYLDMNSRCAUQJ-HZPDHXFCSA-N 1 0 368.481 2.188 50 0 FEAARO COc1ccccc1C[NH2+][C@@H]1CCN(c2ccc(C(=O)NC3CC3)cn2)C1 ZINC000049421003 205172264 /nfs/dbraw/zinc/17/22/64/205172264.db2.gz YHCVKIPVFLTTLY-GOSISDBHSA-N 1 0 366.465 2.351 50 0 FEAARO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)CC1 ZINC000050156555 205178177 /nfs/dbraw/zinc/17/81/77/205178177.db2.gz MCPRMKJMLRCIOD-IBGZPJMESA-N 1 0 372.513 2.367 50 0 FEAARO Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)n1 ZINC000055072264 205206959 /nfs/dbraw/zinc/20/69/59/205206959.db2.gz OWIUFZSJUKVYIE-AWEZNQCLSA-N 1 0 373.457 2.060 50 0 FEAARO O=S(=O)(CC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccn1 ZINC000055120005 205208105 /nfs/dbraw/zinc/20/81/05/205208105.db2.gz VFPUALWBQCBZPI-UHFFFAOYSA-N 1 0 360.414 2.174 50 0 FEAARO Cc1c(NCc2cccnc2)cccc1C(=O)NCC[N@@H+]1CCC[C@H](O)C1 ZINC000055182443 205209662 /nfs/dbraw/zinc/20/96/62/205209662.db2.gz HWGHWRHTKZDHEB-SFHVURJKSA-N 1 0 368.481 2.189 50 0 FEAARO O=C(c1cccc(-c2ccc(O)cc2)c1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000055414578 205220066 /nfs/dbraw/zinc/22/00/66/205220066.db2.gz FQBAXJSYVAJZHE-PMACEKPBSA-N 1 0 352.434 2.340 50 0 FEAARO O=C(Nc1cccc(N2CCNC2=O)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058213352 205261735 /nfs/dbraw/zinc/26/17/35/205261735.db2.gz NKLFOCDLOXXAAS-KRWDZBQOSA-N 1 0 357.458 2.308 50 0 FEAARO CCOC(=O)N(C)CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000058216714 205262941 /nfs/dbraw/zinc/26/29/41/205262941.db2.gz GBRSUXCGFAKAHX-UHFFFAOYSA-N 1 0 365.499 2.305 50 0 FEAARO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cnccn1 ZINC000058264371 205267292 /nfs/dbraw/zinc/26/72/92/205267292.db2.gz YLBLPFIWWKNYCB-UHFFFAOYSA-N 1 0 357.483 2.100 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)NC(=O)c2cccs2)o1 ZINC000058342671 205271164 /nfs/dbraw/zinc/27/11/64/205271164.db2.gz FIAOURILZJRPIT-AWEZNQCLSA-N 1 0 363.483 2.358 50 0 FEAARO Cc1ccc(CNC(=O)c2ccc(=O)n(CC[NH+]3CCCC3)c2)cc1C ZINC000064760520 205304342 /nfs/dbraw/zinc/30/43/42/205304342.db2.gz CJLWNKTXYPUNSH-UHFFFAOYSA-N 1 0 353.466 2.491 50 0 FEAARO Cc1cc2c(cc1[C@H]1N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]31)OCO2 ZINC000065429188 205351027 /nfs/dbraw/zinc/35/10/27/205351027.db2.gz XCVOFTVJMJFGQQ-GMQQQROESA-N 1 0 366.461 2.434 50 0 FEAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2ccc(C)c(F)c2F)c1=O ZINC000065491921 205355627 /nfs/dbraw/zinc/35/56/27/205355627.db2.gz QSIGNGOUNOFVAY-UHFFFAOYSA-N 1 0 350.413 2.242 50 0 FEAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccc(F)cc2F)[nH+]1 ZINC000065363229 205338574 /nfs/dbraw/zinc/33/85/74/205338574.db2.gz WMPQVBTZGQBZIX-UHFFFAOYSA-N 1 0 350.373 2.363 50 0 FEAARO COc1cccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c1 ZINC000065363749 205339131 /nfs/dbraw/zinc/33/91/31/205339131.db2.gz DHJZLTDDAPJOPY-UHFFFAOYSA-N 1 0 355.442 2.236 50 0 FEAARO COc1ccc(F)cc1S(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000065365721 205339206 /nfs/dbraw/zinc/33/92/06/205339206.db2.gz GNIBKGLONVFQEI-KBPBESRZSA-N 1 0 358.479 2.481 50 0 FEAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1cc2ncc(CCO)cn2n1 ZINC000065384716 205343145 /nfs/dbraw/zinc/34/31/45/205343145.db2.gz UCQJBSMVBRMJPB-UHFFFAOYSA-N 1 0 363.425 2.339 50 0 FEAARO COCC[NH+]1CCC(n2nccc2NC(=O)[C@@H](OC)c2ccccc2)CC1 ZINC000067490681 205372878 /nfs/dbraw/zinc/37/28/78/205372878.db2.gz UPKSPQDSWHWVNQ-IBGZPJMESA-N 1 0 372.469 2.493 50 0 FEAARO Cn1ccnc1-c1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)nn1 ZINC000067654956 205379570 /nfs/dbraw/zinc/37/95/70/205379570.db2.gz BZKLZDNBBJQPAX-UHFFFAOYSA-N 1 0 364.453 2.417 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3ccncc3C)cnn2c1 ZINC000067694777 205384335 /nfs/dbraw/zinc/38/43/35/205384335.db2.gz SLWZARGYWMFTOK-UHFFFAOYSA-N 1 0 352.442 2.205 50 0 FEAARO CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000067740790 205387287 /nfs/dbraw/zinc/38/72/87/205387287.db2.gz MRNVBTCMUTWDBU-SFHVURJKSA-N 1 0 372.513 2.301 50 0 FEAARO COc1ccc2cc(C[NH+]3CCC(Nc4ncccn4)CC3)c(=O)[nH]c2c1 ZINC000067726180 205387859 /nfs/dbraw/zinc/38/78/59/205387859.db2.gz PFRBVOWEHKVPEQ-UHFFFAOYSA-N 1 0 365.437 2.403 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cccc2ccccc21 ZINC000067770165 205388838 /nfs/dbraw/zinc/38/88/38/205388838.db2.gz PBEDQGWVDFOPHN-HKUYNNGSSA-N 1 0 353.466 2.179 50 0 FEAARO Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000067805451 205391717 /nfs/dbraw/zinc/39/17/17/205391717.db2.gz GKJYXSGHVNZENX-CQSZACIVSA-N 1 0 362.499 2.120 50 0 FEAARO COC(=O)N1CCC2(CCC([N@@H+]3CC[C@H](N(C)C(C)=O)C3)CC2)CC1 ZINC000067846915 205396072 /nfs/dbraw/zinc/39/60/72/205396072.db2.gz BCCKMETUAFBJAF-KRWDZBQOSA-N 1 0 351.491 2.330 50 0 FEAARO Cc1cccc2c(C[NH+]3CCN(c4cncc(C(N)=O)n4)CC3)cccc12 ZINC000067879178 205399612 /nfs/dbraw/zinc/39/96/12/205399612.db2.gz BXZNXOOYJUEJIE-UHFFFAOYSA-N 1 0 361.449 2.359 50 0 FEAARO CCc1oc(C(=O)N2CCC[C@@](O)(CO)CC2)cc1C[NH+](CC)CC ZINC000072127167 205470826 /nfs/dbraw/zinc/47/08/26/205470826.db2.gz RDENOZYLZXJXLU-IBGZPJMESA-N 1 0 352.475 2.033 50 0 FEAARO CC(C)(C)c1cc(CNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)[nH]n1 ZINC000072435311 205547642 /nfs/dbraw/zinc/54/76/42/205547642.db2.gz BVCSQTSQJPRDRL-UHFFFAOYSA-N 1 0 355.490 2.372 50 0 FEAARO c1cn(CCc2noc(-c3ccccc3)n2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072454708 205554586 /nfs/dbraw/zinc/55/45/86/205554586.db2.gz STWWGUPJNHLJAK-UHFFFAOYSA-N 1 0 361.409 2.143 50 0 FEAARO COc1cc(F)c(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)c(F)c1 ZINC000077471487 205604830 /nfs/dbraw/zinc/60/48/30/205604830.db2.gz KVGVLBMFALDLKM-GOSISDBHSA-N 1 0 354.397 2.036 50 0 FEAARO COCC[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)CC1 ZINC000077517142 205608260 /nfs/dbraw/zinc/60/82/60/205608260.db2.gz UBPUONUCMYHYBR-HXUWFJFHSA-N 1 0 372.509 2.395 50 0 FEAARO O=C(c1ccc2sccc2c1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077407324 205597332 /nfs/dbraw/zinc/59/73/32/205597332.db2.gz DFTSMLMLBDATJY-LJQANCHMSA-N 1 0 360.479 2.201 50 0 FEAARO CN1CC2(CCN(C(=O)c3cccc([C@@H]4CCC[NH2+]C4)c3)CC2)OC1=O ZINC000095376124 205741361 /nfs/dbraw/zinc/74/13/61/205741361.db2.gz CPDALKKFQPJKNF-QGZVFWFLSA-N 1 0 357.454 2.210 50 0 FEAARO O=C(C[C@H]1NC(=O)c2ccccc21)NC1CC[NH+](C2CCSCC2)CC1 ZINC000097642338 205920183 /nfs/dbraw/zinc/92/01/83/205920183.db2.gz ASZFSKPAPUNAJK-GOSISDBHSA-N 1 0 373.522 2.337 50 0 FEAARO CN1C(=O)CC[C@H](C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237053884 206079747 /nfs/dbraw/zinc/07/97/47/206079747.db2.gz GPZVORKUHLCYNW-HOCLYGCPSA-N 1 0 369.387 2.047 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000237137587 206089002 /nfs/dbraw/zinc/08/90/02/206089002.db2.gz PLYRMSPNPILNPF-INIZCTEOSA-N 1 0 353.422 2.402 50 0 FEAARO O=C(c1cn(C2CC[NH2+]CC2)nn1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000237835857 206109972 /nfs/dbraw/zinc/10/99/72/206109972.db2.gz HTAFPITWDIAHKY-UHFFFAOYSA-N 1 0 361.396 2.286 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)C1 ZINC000169678570 206255150 /nfs/dbraw/zinc/25/51/50/206255150.db2.gz RHYXTUBGCPPJLF-KXBFYZLASA-N 1 0 370.497 2.459 50 0 FEAARO O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613681 206274873 /nfs/dbraw/zinc/27/48/73/206274873.db2.gz ZLTJJMXOFVRLPO-SJORKVTESA-N 1 0 369.469 2.445 50 0 FEAARO CC[N@@H+]1CCC[C@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000173562665 206284143 /nfs/dbraw/zinc/28/41/43/206284143.db2.gz SEMUFRHVQBCFMI-AWEZNQCLSA-N 1 0 357.410 2.327 50 0 FEAARO COc1cc(C(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc(OC)c1OC ZINC000011846412 206286658 /nfs/dbraw/zinc/28/66/58/206286658.db2.gz UKGLXALVXQSFJP-OAHLLOKOSA-N 1 0 361.442 2.084 50 0 FEAARO COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000012784148 206296956 /nfs/dbraw/zinc/29/69/56/206296956.db2.gz SICXXMXWVQNCGY-SFHVURJKSA-N 1 0 369.465 2.234 50 0 FEAARO CC(=O)OC(C)(C)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000187291265 206322731 /nfs/dbraw/zinc/32/27/31/206322731.db2.gz GGQAFXMFGWUZBC-GASCZTMLSA-N 1 0 362.470 2.254 50 0 FEAARO O=C([C@@H]1CCCCO1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000216180805 206355862 /nfs/dbraw/zinc/35/58/62/206355862.db2.gz NPEZOXWBCGKDLE-NRFANRHFSA-N 1 0 371.525 2.364 50 0 FEAARO COCC(=O)N1CCCN(Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000216213841 206356451 /nfs/dbraw/zinc/35/64/51/206356451.db2.gz GPGLSBNBHAMMRF-UHFFFAOYSA-N 1 0 365.543 2.415 50 0 FEAARO CCc1cccc2c(C(C)=O)cn(CC(=O)NC[C@@H]3COCC[N@H+](C)C3)c21 ZINC000219194044 206379109 /nfs/dbraw/zinc/37/91/09/206379109.db2.gz OFMLRJXJDLPVHV-INIZCTEOSA-N 1 0 371.481 2.101 50 0 FEAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1ccccc1)C2 ZINC000219230762 206380528 /nfs/dbraw/zinc/38/05/28/206380528.db2.gz ZZODDDRPGDGDPC-HXUWFJFHSA-N 1 0 370.497 2.233 50 0 FEAARO COc1cc(C)c(C[NH+]2CCN(CCN3CCOCC3)CC2)c(C)c1C ZINC000216446221 206359889 /nfs/dbraw/zinc/35/98/89/206359889.db2.gz YEQJGUJGXUEWFG-UHFFFAOYSA-N 1 0 361.530 2.070 50 0 FEAARO COCC[NH+]1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000022999853 206397527 /nfs/dbraw/zinc/39/75/27/206397527.db2.gz IMRXKSICRXAETJ-UHFFFAOYSA-N 1 0 366.527 2.202 50 0 FEAARO O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000223361152 206438676 /nfs/dbraw/zinc/43/86/76/206438676.db2.gz XWGZKVRKWLZMRC-ROUUACIJSA-N 1 0 362.470 2.437 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C1 ZINC000076091448 542232001 /nfs/dbraw/zinc/23/20/01/542232001.db2.gz OEAPINJSWQRYRA-FGTMMUONSA-N 1 0 374.529 2.405 50 0 FEAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077320855 542367169 /nfs/dbraw/zinc/36/71/69/542367169.db2.gz NPZGNYZHEFKGNN-KRWDZBQOSA-N 1 0 373.280 2.293 50 0 FEAARO CC(=O)N[C@@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1C(C)C ZINC000077342697 542369596 /nfs/dbraw/zinc/36/95/96/542369596.db2.gz VAUDNJDCYCEDPY-FUHWJXTLSA-N 1 0 365.905 2.439 50 0 FEAARO CC(=O)N1CCO[C@H](Cn2ccnc2-c2cc(C[NH+]3CCCC3)cs2)C1 ZINC000077486852 542388029 /nfs/dbraw/zinc/38/80/29/542388029.db2.gz LLOZPHXHHRFYQJ-KRWDZBQOSA-N 1 0 374.510 2.455 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000077503598 132187617 /nfs/dbraw/zinc/18/76/17/132187617.db2.gz KIYQVIWXQJCPAU-UHFFFAOYSA-N 1 0 368.934 2.213 50 0 FEAARO CN1CC2(CCC1=O)CC[NH+](Cc1cnc(N3CCCCC3)nc1)CC2 ZINC000091664181 132203128 /nfs/dbraw/zinc/20/31/28/132203128.db2.gz XYSGTMLSKNUROT-UHFFFAOYSA-N 1 0 357.502 2.301 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@](C)(O)[C@H](C)C3)CC2)c1 ZINC000092078198 132206072 /nfs/dbraw/zinc/20/60/72/132206072.db2.gz CZNIINXOIQZSSA-NQIIRXRSSA-N 1 0 359.514 2.127 50 0 FEAARO CC[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)c1nc(C)no1 ZINC000095353623 132206866 /nfs/dbraw/zinc/20/68/66/132206866.db2.gz PYWIHJWSTZRNCG-GOSISDBHSA-N 1 0 371.485 2.466 50 0 FEAARO Cc1nc(N)nc(N2CCC([NH2+]Cc3cn4ccccc4n3)CC2)c1Cl ZINC000095528607 132215081 /nfs/dbraw/zinc/21/50/81/132215081.db2.gz SAFRKJKIBPJKPO-UHFFFAOYSA-N 1 0 371.876 2.427 50 0 FEAARO CCOC(=O)c1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1Cl ZINC000170602001 132264461 /nfs/dbraw/zinc/26/44/61/132264461.db2.gz PHAWUYNPOVOJFS-CQSZACIVSA-N 1 0 367.877 2.460 50 0 FEAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012569674 132267610 /nfs/dbraw/zinc/26/76/10/132267610.db2.gz RJINPVDNXGHIQD-HZPDHXFCSA-N 1 0 358.486 2.201 50 0 FEAARO CCc1noc([C@@H]2CCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000215463643 132270350 /nfs/dbraw/zinc/27/03/50/132270350.db2.gz VZXYQPVPPYCGDX-KRWDZBQOSA-N 1 0 369.469 2.361 50 0 FEAARO CNc1nc([C@H]2CCOC2)cc(N2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000299773918 132298996 /nfs/dbraw/zinc/29/89/96/132298996.db2.gz GVWJKZJCUWDGKY-HNNXBMFYSA-N 1 0 354.458 2.052 50 0 FEAARO Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(C)cc(C[NH+](C)C)c3)cc12 ZINC000089585442 542765753 /nfs/dbraw/zinc/76/57/53/542765753.db2.gz VDQVIHODFIZIOX-UHFFFAOYSA-N 1 0 373.482 2.448 50 0 FEAARO O=C(c1ccccc1-c1nn[nH]n1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091350634 542805095 /nfs/dbraw/zinc/80/50/95/542805095.db2.gz ISQUJWFQULLAIP-HZPDHXFCSA-N 1 0 366.469 2.203 50 0 FEAARO [NH3+]CCc1cccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c1 ZINC000091321773 542804445 /nfs/dbraw/zinc/80/44/45/542804445.db2.gz BDAQNJKAOKOTNQ-ZWKOTPCHSA-N 1 0 368.433 2.217 50 0 FEAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000091487109 542810623 /nfs/dbraw/zinc/81/06/23/542810623.db2.gz DHRTUAPQXOWBFB-UHFFFAOYSA-N 1 0 372.444 2.071 50 0 FEAARO Cc1ccn2c(=O)cc(C[N@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)nc2c1 ZINC000091536550 542811653 /nfs/dbraw/zinc/81/16/53/542811653.db2.gz DPINIGLGQKOPJI-NRFANRHFSA-N 1 0 368.481 2.226 50 0 FEAARO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000091596048 542815054 /nfs/dbraw/zinc/81/50/54/542815054.db2.gz WQVJIFFTQHCWHJ-HZPDHXFCSA-N 1 0 350.434 2.001 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cn(C)nc2C)C3)cc1 ZINC000091594732 542815357 /nfs/dbraw/zinc/81/53/57/542815357.db2.gz DFMCDCUJWRRDMP-ZWKOTPCHSA-N 1 0 368.481 2.474 50 0 FEAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CC[C@@H]2CCOC2)CC3)cn1 ZINC000091664359 542818823 /nfs/dbraw/zinc/81/88/23/542818823.db2.gz AIBGYFWMRQEHSR-GOSISDBHSA-N 1 0 372.513 2.416 50 0 FEAARO O=C(C1CC[NH+](C2CCCC2)CC1)N1CCC2(CC1)OCCC[C@@H]2O ZINC000091664952 542819005 /nfs/dbraw/zinc/81/90/05/542819005.db2.gz XNPPPULREVPKNC-SFHVURJKSA-N 1 0 350.503 2.174 50 0 FEAARO Cc1cc(C)c(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000091724465 542821335 /nfs/dbraw/zinc/82/13/35/542821335.db2.gz UXONMJFOBPXUSW-UHFFFAOYSA-N 1 0 372.513 2.105 50 0 FEAARO CC[N@H+](C)C1(CNC(=O)c2cnc(-c3ccccc3)[nH]c2=O)CCCC1 ZINC000091792841 542825923 /nfs/dbraw/zinc/82/59/23/542825923.db2.gz QRLBBRWLTVNTOK-UHFFFAOYSA-N 1 0 354.454 2.431 50 0 FEAARO COc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cc1=O ZINC000091831064 542827209 /nfs/dbraw/zinc/82/72/09/542827209.db2.gz BVTRGJHVUXRWEJ-FUHWJXTLSA-N 1 0 367.449 2.007 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1nc(C)cs1)C2 ZINC000091830451 542827728 /nfs/dbraw/zinc/82/77/28/542827728.db2.gz YLAOPXDJMVMNPI-ZIAGYGMSSA-N 1 0 355.529 2.113 50 0 FEAARO COCCN(C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000091817521 542826678 /nfs/dbraw/zinc/82/66/78/542826678.db2.gz TVQBWGYKUUQNEJ-UHFFFAOYSA-N 1 0 372.469 2.268 50 0 FEAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000091876419 542829988 /nfs/dbraw/zinc/82/99/88/542829988.db2.gz IRROPUQCHGMYGG-UHFFFAOYSA-N 1 0 351.454 2.091 50 0 FEAARO CCc1nc(N)sc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC ZINC000091943898 542833016 /nfs/dbraw/zinc/83/30/16/542833016.db2.gz ILBHSGXDJRAOMV-UHFFFAOYSA-N 1 0 374.514 2.020 50 0 FEAARO Cc1nc2ccccc2nc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000092046911 542841274 /nfs/dbraw/zinc/84/12/74/542841274.db2.gz CLGMQYUJDXZELE-UHFFFAOYSA-N 1 0 368.481 2.135 50 0 FEAARO COc1cc(C)c(C[N@@H+]2C[C@H](CO)C[C@H](CN3CCOCC3)C2)cc1C ZINC000092077428 542843788 /nfs/dbraw/zinc/84/37/88/542843788.db2.gz AUZQGXJDYLVUNV-RTBURBONSA-N 1 0 362.514 2.075 50 0 FEAARO O=C(N1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000092077644 542843820 /nfs/dbraw/zinc/84/38/20/542843820.db2.gz BUDZTZQRRGYJAV-VQTJNVASSA-N 1 0 357.498 2.468 50 0 FEAARO O=C(c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000092099917 542845435 /nfs/dbraw/zinc/84/54/35/542845435.db2.gz BMWGKEUUQWLYCL-RYUDHWBXSA-N 1 0 365.220 2.342 50 0 FEAARO C[NH2+][C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)C(C)C ZINC000092098972 542845706 /nfs/dbraw/zinc/84/57/06/542845706.db2.gz WEDCOZDOEKLMHZ-IBGZPJMESA-N 1 0 372.513 2.057 50 0 FEAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC000092099694 542846020 /nfs/dbraw/zinc/84/60/20/542846020.db2.gz UKXALIXTSRKLSU-GOSISDBHSA-N 1 0 369.509 2.370 50 0 FEAARO CN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@H]1CC[NH2+]C1 ZINC000299738612 136121885 /nfs/dbraw/zinc/12/18/85/136121885.db2.gz CUXNJGCRJVOSCU-OLZOCXBDSA-N 1 0 356.392 2.137 50 0 FEAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)nc1 ZINC000095372251 542962902 /nfs/dbraw/zinc/96/29/02/542962902.db2.gz DBYDNNNCOUVNPI-KRWDZBQOSA-N 1 0 365.485 2.397 50 0 FEAARO C[C@H](Sc1ccccn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067803371 136137663 /nfs/dbraw/zinc/13/76/63/136137663.db2.gz RXTUQVOVZUMMEF-HNNXBMFYSA-N 1 0 371.510 2.025 50 0 FEAARO Cc1noc(-c2ccc(N3CC[C@@H]([NH+]4CCCCCC4)[C@H](O)C3)nc2)n1 ZINC000071752245 136140238 /nfs/dbraw/zinc/14/02/38/136140238.db2.gz AQGRBULGPRMGJS-IAGOWNOFSA-N 1 0 357.458 2.256 50 0 FEAARO C[N@H+](CCO)C1CCN(c2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072156819 136143119 /nfs/dbraw/zinc/14/31/19/136143119.db2.gz TUUIHUPIXKCZHQ-UHFFFAOYSA-N 1 0 369.444 2.428 50 0 FEAARO Cc1cccc(N2CCN(CC(=O)N3CCC[C@@H]([NH+](C)C)CC3)CC2)c1 ZINC000072165742 136143444 /nfs/dbraw/zinc/14/34/44/136143444.db2.gz YZCDUIZLHUAGDL-LJQANCHMSA-N 1 0 358.530 2.060 50 0 FEAARO Cc1ncccc1Oc1ncnc(N2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)c1C ZINC000072165815 136143550 /nfs/dbraw/zinc/14/35/50/136143550.db2.gz BGVDVHAKDVGVIR-YLJYHZDGSA-N 1 0 369.469 2.222 50 0 FEAARO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)CC[N@H+](Cc1ccco1)CC2 ZINC000072425151 136146367 /nfs/dbraw/zinc/14/63/67/136146367.db2.gz FMVKSHGBOHEYAZ-MRXNPFEDSA-N 1 0 356.470 2.188 50 0 FEAARO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095359351 542959211 /nfs/dbraw/zinc/95/92/11/542959211.db2.gz SLYHQXAQCHOHFK-HNNXBMFYSA-N 1 0 354.458 2.138 50 0 FEAARO O=C(NCc1ccccc1-n1cncn1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380082 542965056 /nfs/dbraw/zinc/96/50/56/542965056.db2.gz IJJYHUJNVVFVLC-QGZVFWFLSA-N 1 0 365.437 2.389 50 0 FEAARO O=C(Cc1ccc(O)c(F)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095383773 542965997 /nfs/dbraw/zinc/96/59/97/542965997.db2.gz RNLZZXMDFFENDG-DOTOQJQBSA-N 1 0 362.445 2.176 50 0 FEAARO CC(=O)c1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH]n1 ZINC000095387841 542966755 /nfs/dbraw/zinc/96/67/55/542966755.db2.gz WPWPZJDZROEGSW-IAGOWNOFSA-N 1 0 352.438 2.349 50 0 FEAARO CN(C)C(=O)[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000095378090 542964678 /nfs/dbraw/zinc/96/46/78/542964678.db2.gz JKYWNLQQOZXBPK-IBGZPJMESA-N 1 0 369.465 2.437 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000095497198 542973053 /nfs/dbraw/zinc/97/30/53/542973053.db2.gz VPNIELVVFRFOAZ-GOSISDBHSA-N 1 0 368.481 2.399 50 0 FEAARO C[N@@H+]1CCC[C@H](CN2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499028 542974426 /nfs/dbraw/zinc/97/44/26/542974426.db2.gz FSUKMEFPROGLJX-HNNXBMFYSA-N 1 0 356.474 2.054 50 0 FEAARO O=C(Nc1cccc(-n2cnnn2)c1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000095507797 542975990 /nfs/dbraw/zinc/97/59/90/542975990.db2.gz XMYJQQNMLKYCTE-QGZVFWFLSA-N 1 0 355.446 2.145 50 0 FEAARO O=C(CO)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095511208 542976940 /nfs/dbraw/zinc/97/69/40/542976940.db2.gz SIIFZEWDAKIWFH-SFHVURJKSA-N 1 0 364.461 2.038 50 0 FEAARO CNS(=O)(=O)c1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)ccc1C ZINC000095944200 542983845 /nfs/dbraw/zinc/98/38/45/542983845.db2.gz UJTFQXIRWMVASX-IHRRRGAJSA-N 1 0 353.488 2.103 50 0 FEAARO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1cc(C)on1 ZINC000095946730 542984036 /nfs/dbraw/zinc/98/40/36/542984036.db2.gz PIFCHBGCGDBZKH-GOSISDBHSA-N 1 0 372.469 2.322 50 0 FEAARO COCC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000096000133 542986662 /nfs/dbraw/zinc/98/66/62/542986662.db2.gz YAMGQEOCBFLCQA-HNNXBMFYSA-N 1 0 358.442 2.383 50 0 FEAARO Cc1nccn1CCCN1C(=O)N(CCC(C)C)C2(CC[NH2+]CC2)C1=O ZINC000095521485 542980293 /nfs/dbraw/zinc/98/02/93/542980293.db2.gz GZVDDPFUEIEDFU-UHFFFAOYSA-N 1 0 361.490 2.014 50 0 FEAARO [NH3+]Cc1cc(NC(=O)c2ccccn2)cc(-c2nc(-c3cccnn3)no2)c1 ZINC000095525320 542980885 /nfs/dbraw/zinc/98/08/85/542980885.db2.gz CUOHEJQVVWQVTP-UHFFFAOYSA-N 1 0 373.376 2.300 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)s1 ZINC000095527827 542981668 /nfs/dbraw/zinc/98/16/68/542981668.db2.gz PEJVUIBKNKNHDZ-QGZVFWFLSA-N 1 0 359.495 2.008 50 0 FEAARO COC(=O)c1cccc(NC(=O)NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000096148129 542993494 /nfs/dbraw/zinc/99/34/94/542993494.db2.gz TYEAAWGMISTBRW-UHFFFAOYSA-N 1 0 361.442 2.238 50 0 FEAARO OC[C@@H]1CCC[N@H+](CCNc2ncnc3c2Cc2ccccc2OC3)C1 ZINC000096149030 542993499 /nfs/dbraw/zinc/99/34/99/542993499.db2.gz DGYTYEGQOVKSPM-OAHLLOKOSA-N 1 0 354.454 2.076 50 0 FEAARO OC[C@@]12C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]1c1ccccc1OC2 ZINC000096151073 542993572 /nfs/dbraw/zinc/99/35/72/542993572.db2.gz NWZGDVCRJIMERM-DYESRHJHSA-N 1 0 353.418 2.428 50 0 FEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cnc2sccn2c1=O ZINC000096164088 542994155 /nfs/dbraw/zinc/99/41/55/542994155.db2.gz RNPXXCYGRQKYRW-ZDUSSCGKSA-N 1 0 373.438 2.308 50 0 FEAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096167062 542995261 /nfs/dbraw/zinc/99/52/61/542995261.db2.gz FIWXNKVACUNILU-UHFFFAOYSA-N 1 0 355.446 2.219 50 0 FEAARO Cn1nnc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000097681667 543014712 /nfs/dbraw/zinc/01/47/12/543014712.db2.gz RUUZIRBVVNLLIZ-INIZCTEOSA-N 1 0 350.426 2.364 50 0 FEAARO Cc1ccsc1[C@@H](CNC(=O)c1ccnc(-n2cnnc2)c1)[NH+](C)C ZINC000097675456 543014910 /nfs/dbraw/zinc/01/49/10/543014910.db2.gz NTGKZRLNPJDOBZ-CQSZACIVSA-N 1 0 356.455 2.065 50 0 FEAARO Cc1ccc2[nH]c(COCC(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000097785439 543017137 /nfs/dbraw/zinc/01/71/37/543017137.db2.gz PSHMVLZBVZPHBP-OAHLLOKOSA-N 1 0 356.470 2.473 50 0 FEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C1 ZINC000133783384 544283409 /nfs/dbraw/zinc/28/34/09/544283409.db2.gz VGAUTDFYIKEOMA-QGZVFWFLSA-N 1 0 367.449 2.189 50 0 FEAARO CNS(=O)(=O)c1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)ccc1C ZINC000252512664 263462951 /nfs/dbraw/zinc/46/29/51/263462951.db2.gz UJTFQXIRWMVASX-MCIONIFRSA-N 1 0 353.488 2.103 50 0 FEAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc3ccccc3n2C)ncn1 ZINC000109070492 325658009 /nfs/dbraw/zinc/65/80/09/325658009.db2.gz GFZQFAHBZAGTLZ-AWEZNQCLSA-N 1 0 351.458 2.164 50 0 FEAARO C[C@@H]1CN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCCCC2)CC[NH2+]1 ZINC000299800731 534300361 /nfs/dbraw/zinc/30/03/61/534300361.db2.gz INZWXETVPIIYQP-OAHLLOKOSA-N 1 0 364.511 2.112 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CN(C)c3ccccc3)cc2C1 ZINC000082100200 519723197 /nfs/dbraw/zinc/72/31/97/519723197.db2.gz DPWWDRKAMXBSKQ-UHFFFAOYSA-N 1 0 369.513 2.497 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCc1ccccc1 ZINC000020531727 521584659 /nfs/dbraw/zinc/58/46/59/521584659.db2.gz KITANAHZHKJPMU-UHFFFAOYSA-N 1 0 356.466 2.463 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000091526292 521821231 /nfs/dbraw/zinc/82/12/31/521821231.db2.gz IACOIRDYWHDTIH-UHFFFAOYSA-N 1 0 374.460 2.369 50 0 FEAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000091551937 521880682 /nfs/dbraw/zinc/88/06/82/521880682.db2.gz RCUIGPPNEKIWAI-MSOLQXFVSA-N 1 0 362.514 2.022 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000269231045 523101947 /nfs/dbraw/zinc/10/19/47/523101947.db2.gz CTNYBYWXSRLKHT-RDBSUJKOSA-N 1 0 374.403 2.421 50 0 FEAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000091537071 523205796 /nfs/dbraw/zinc/20/57/96/523205796.db2.gz NPSQWJFSGVZURM-UHFFFAOYSA-N 1 0 351.458 2.317 50 0 FEAARO CCn1nc(CC(C)C)cc1C(=O)N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000091526089 523673759 /nfs/dbraw/zinc/67/37/59/523673759.db2.gz KZDFDAUUWSYIBP-HKUYNNGSSA-N 1 0 362.518 2.163 50 0 FEAARO C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@@H]1c1ccccc1 ZINC000089375136 523963461 /nfs/dbraw/zinc/96/34/61/523963461.db2.gz QJWOLSJWGCHULC-AEFFLSMTSA-N 1 0 357.479 2.430 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000019881049 523977277 /nfs/dbraw/zinc/97/72/77/523977277.db2.gz KMXOZOATZUOPPQ-INIZCTEOSA-N 1 0 360.454 2.296 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000091487081 524030271 /nfs/dbraw/zinc/03/02/71/524030271.db2.gz UCZIEKOBHLRSRD-KRWDZBQOSA-N 1 0 366.469 2.448 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C[C@H](C)[NH2+]1 ZINC000153680977 524865959 /nfs/dbraw/zinc/86/59/59/524865959.db2.gz VNMXAXDOHCTRRI-OKILXGFUSA-N 1 0 350.484 2.225 50 0 FEAARO CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000007109495 534908510 /nfs/dbraw/zinc/90/85/10/534908510.db2.gz JHTXLCSRHQEBNP-UHFFFAOYSA-N 1 0 373.478 2.442 50 0 FEAARO Cc1cnn(CCC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000082107790 526259160 /nfs/dbraw/zinc/25/91/60/526259160.db2.gz YKHIWVOSHITQIN-UHFFFAOYSA-N 1 0 352.482 2.283 50 0 FEAARO O=C(CCc1ccsc1)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091587105 526632949 /nfs/dbraw/zinc/63/29/49/526632949.db2.gz CNTRJCZTIBAINX-MSOLQXFVSA-N 1 0 366.527 2.003 50 0 FEAARO OCC1CC[NH+]([C@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000020774784 527528682 /nfs/dbraw/zinc/52/86/82/527528682.db2.gz QFVZMJDYMHEMTJ-SFHVURJKSA-N 1 0 356.470 2.405 50 0 FEAARO CC(C)(C[NH+]1CCN(c2nccc3ccccc32)CC1)N1CCOCC1 ZINC000065425428 535076810 /nfs/dbraw/zinc/07/68/10/535076810.db2.gz GWMOPKWJRXCBMP-UHFFFAOYSA-N 1 0 354.498 2.468 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(OC)cc3)CC2)n1 ZINC000009620288 535520876 /nfs/dbraw/zinc/52/08/76/535520876.db2.gz RUNHDPWNRICFCP-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO CCNc1cc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000072433997 535522044 /nfs/dbraw/zinc/52/20/44/535522044.db2.gz ZMENVQCBTNVCQR-UHFFFAOYSA-N 1 0 369.469 2.117 50 0 FEAARO CC[C@@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095355076 535777202 /nfs/dbraw/zinc/77/72/02/535777202.db2.gz YRXKANPGMUMDJC-IBGZPJMESA-N 1 0 369.513 2.299 50 0 FEAARO COc1ccccc1OC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CC1 ZINC000244659779 537088084 /nfs/dbraw/zinc/08/80/84/537088084.db2.gz HIOLYZYYYBPHHM-OKILXGFUSA-N 1 0 369.469 2.320 50 0 FEAARO C[C@@H]1CN(C(=O)CCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC000170595749 546162126 /nfs/dbraw/zinc/16/21/26/546162126.db2.gz CTJUDZFHIXQUSG-OAHLLOKOSA-N 1 0 369.506 2.003 50 0 FEAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(OC(F)F)c(C)c2)C1 ZINC000181560419 547334722 /nfs/dbraw/zinc/33/47/22/547334722.db2.gz PTYMKIPVIULFJN-CQSZACIVSA-N 1 0 362.442 2.418 50 0 FEAARO CCC[NH+]1CCC(N(C)S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1 ZINC000189421734 548302364 /nfs/dbraw/zinc/30/23/64/548302364.db2.gz MVXXDJCSHQDSDT-UHFFFAOYSA-N 1 0 366.527 2.300 50 0 FEAARO O=C(CCc1c[nH]c2ccccc12)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000220482193 548700933 /nfs/dbraw/zinc/70/09/33/548700933.db2.gz YIHPPZFECGHIEM-UMSONDCASA-N 1 0 353.466 2.468 50 0 FEAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000221254279 548704348 /nfs/dbraw/zinc/70/43/48/548704348.db2.gz DZQTZYITDRIYMV-FQEVSTJZSA-N 1 0 351.454 2.147 50 0 FEAARO CCC[N@@H+]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 ZINC000221407501 548705345 /nfs/dbraw/zinc/70/53/45/548705345.db2.gz MFUKEOQGYXLQQK-SFHVURJKSA-N 1 0 373.497 2.148 50 0 FEAARO O=S(=O)(c1c[nH]c(C(F)(F)F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000225392990 548732430 /nfs/dbraw/zinc/73/24/30/548732430.db2.gz GOXAXLGKKNYAFT-LLVKDONJSA-N 1 0 351.394 2.282 50 0 FEAARO O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000225416967 548733684 /nfs/dbraw/zinc/73/36/84/548733684.db2.gz BROSYYDBLSXQBO-VQIMIIECSA-N 1 0 368.481 2.167 50 0 FEAARO Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229724753 548757091 /nfs/dbraw/zinc/75/70/91/548757091.db2.gz HKUUUIIRVAPQDG-SJORKVTESA-N 1 0 361.511 2.410 50 0 FEAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cccc(N2CCOCC2)c1 ZINC000230496666 548759988 /nfs/dbraw/zinc/75/99/88/548759988.db2.gz CSWPSAUDJWHPRQ-NRFANRHFSA-N 1 0 365.477 2.310 50 0 FEAARO COc1ccccc1/C=C/CN1CCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000230468945 548760044 /nfs/dbraw/zinc/76/00/44/548760044.db2.gz JKFQCVJRBLLLSZ-ZLQZBKBYSA-N 1 0 356.470 2.016 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C1 ZINC000237373429 548822094 /nfs/dbraw/zinc/82/20/94/548822094.db2.gz XEURJADQYVUKDV-NEPJUHHUSA-N 1 0 367.375 2.486 50 0 FEAARO CS(=O)(=O)c1ccc(C2(C(=O)N3CC[C@@H](C[NH3+])C3)CCCCC2)cc1 ZINC000244742167 548894763 /nfs/dbraw/zinc/89/47/63/548894763.db2.gz OCXQXAZQIGLALT-HNNXBMFYSA-N 1 0 364.511 2.099 50 0 FEAARO O=C(CC[NH+]1CCC2(CC1)OCCC[C@@H]2O)Nc1ccc(F)cc1F ZINC000244764108 548895210 /nfs/dbraw/zinc/89/52/10/548895210.db2.gz PBLPLEVFRPZLJS-INIZCTEOSA-N 1 0 354.397 2.299 50 0 FEAARO CN1C(=O)CCC12CC[NH+](C[C@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000244811541 548896162 /nfs/dbraw/zinc/89/61/62/548896162.db2.gz SGNQBOBQPCKCII-FQEVSTJZSA-N 1 0 371.525 2.364 50 0 FEAARO Cn1cc(N2CCC[C@H](N3CC[C@@]4(C3)OCc3ccccc34)C2=O)cn1 ZINC000248689375 549485370 /nfs/dbraw/zinc/48/53/70/549485370.db2.gz IGDGNDPDNHVXLZ-ICSRJNTNSA-N 1 0 352.438 2.047 50 0 FEAARO CC[C@](O)(C(=O)NC[C@H]1CCC[N@@H+]1CCOC)c1cccc(Cl)c1 ZINC000252548962 549674277 /nfs/dbraw/zinc/67/42/77/549674277.db2.gz QNLYMADZNCCVOZ-SJLPKXTDSA-N 1 0 354.878 2.165 50 0 FEAARO Cc1cnc(CC[C@@H]2CCCN2C(=O)CN2CCCC2=O)n1CC1CC1 ZINC000257180842 549712266 /nfs/dbraw/zinc/71/22/66/549712266.db2.gz DXFNVYYABJEULE-KRWDZBQOSA-N 1 0 358.486 2.148 50 0 FEAARO O=C(C1CCC1)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000257180241 549712626 /nfs/dbraw/zinc/71/26/26/549712626.db2.gz KJGNWOJPMOMZGK-LJQANCHMSA-N 1 0 362.514 2.438 50 0 FEAARO Cc1noc([C@@]23C[N@H+](CC(C)C)C[C@@H]2CCN(C(=O)c2cccnc2)C3)n1 ZINC000257187013 549713283 /nfs/dbraw/zinc/71/32/83/549713283.db2.gz LEGNIUKCUZBFMK-FXAWDEMLSA-N 1 0 369.469 2.145 50 0 FEAARO Cc1ccn(CC(=O)N2CCC(n3c(C)cnc3[C@H]3CCCO3)CC2)n1 ZINC000257189823 549715010 /nfs/dbraw/zinc/71/50/10/549715010.db2.gz KAPKYWDYDJPQCT-QGZVFWFLSA-N 1 0 357.458 2.412 50 0 FEAARO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284002016 551465527 /nfs/dbraw/zinc/46/55/27/551465527.db2.gz DOTIMLRJALLXNO-ZDUSSCGKSA-N 1 0 358.442 2.076 50 0 FEAARO CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000284957652 551676887 /nfs/dbraw/zinc/67/68/87/551676887.db2.gz ZPCNGRFTPYIEQC-OAHLLOKOSA-N 1 0 359.470 2.266 50 0 FEAARO CCOc1ncccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000502477916 561619482 /nfs/dbraw/zinc/61/94/82/561619482.db2.gz GVIWSNQJGOVRMZ-WMLDXEAASA-N 1 0 357.458 2.027 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000299754440 553610618 /nfs/dbraw/zinc/61/06/18/553610618.db2.gz ORJWKYZXZHZGBX-GMNCBBECSA-N 1 0 374.533 2.202 50 0 FEAARO CCCc1ncncc1C(=O)N1CCCC[C@H]1CCN1CC[NH+](C)CC1 ZINC000299758290 553611148 /nfs/dbraw/zinc/61/11/48/553611148.db2.gz OAAZOQPTVZGIRB-KRWDZBQOSA-N 1 0 359.518 2.061 50 0 FEAARO Cc1cccc(C[NH+]2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)n1 ZINC000299765027 553611623 /nfs/dbraw/zinc/61/16/23/553611623.db2.gz ZCGHIROKPLYXRL-UHFFFAOYSA-N 1 0 368.485 2.491 50 0 FEAARO CC(C)c1ccc(C(=O)N2CC[NH+](C3CCSCC3)CC2)c(=O)n1C ZINC000299766221 553612459 /nfs/dbraw/zinc/61/24/59/553612459.db2.gz HBMOXKOPQBSGBW-UHFFFAOYSA-N 1 0 363.527 2.162 50 0 FEAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(-c2ncc[nH]2)c1 ZINC000299774343 553613424 /nfs/dbraw/zinc/61/34/24/553613424.db2.gz CETOOQGPUZKSAB-UHFFFAOYSA-N 1 0 354.454 2.450 50 0 FEAARO Cc1noc(C)c1CN1CC[C@@H](Nc2noc(-c3ccccc3)n2)[C@H](O)C1 ZINC000299793530 553615287 /nfs/dbraw/zinc/61/52/87/553615287.db2.gz HZPHIOQZFYZJDF-IAGOWNOFSA-N 1 0 369.425 2.389 50 0 FEAARO Cc1ncnc(N2CC[NH+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)c1C ZINC000299799204 553616556 /nfs/dbraw/zinc/61/65/56/553616556.db2.gz PWRJXZZUEGTHKR-SFHVURJKSA-N 1 0 365.481 2.269 50 0 FEAARO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O)[NH+]1CCCCC1 ZINC000329208427 553902572 /nfs/dbraw/zinc/90/25/72/553902572.db2.gz XYNXPAGWUUPMQO-MLYOOKFZSA-N 1 0 352.519 2.275 50 0 FEAARO CC1(c2ccccc2)CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333239468 554593096 /nfs/dbraw/zinc/59/30/96/554593096.db2.gz AOUFAFRBRJMWJZ-QGZVFWFLSA-N 1 0 353.470 2.397 50 0 FEAARO NC(=O)c1ncn(C2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1N ZINC000377970439 558455234 /nfs/dbraw/zinc/45/52/34/558455234.db2.gz MAWUSNCIJZISMC-UHFFFAOYSA-N 1 0 354.389 2.093 50 0 FEAARO COC[C@@]1(O)CCOC2(CC[NH+](Cc3ccc(F)c(OC)c3)CC2)C1 ZINC000409420421 558690807 /nfs/dbraw/zinc/69/08/07/558690807.db2.gz SVSFZNQDXFMUNH-GOSISDBHSA-N 1 0 353.434 2.357 50 0 FEAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccccc2COc2ccccc2)C[C@H]1CO ZINC000409420140 558691166 /nfs/dbraw/zinc/69/11/66/558691166.db2.gz WRURBIWAMYNZBM-FXAWDEMLSA-N 1 0 354.450 2.260 50 0 FEAARO Cc1ccc(C(=O)NCc2nc(Cc3ccccc3)no2)cc1OCC[NH3+] ZINC000426505911 559736259 /nfs/dbraw/zinc/73/62/59/559736259.db2.gz UXVVWEIIQMOPSD-UHFFFAOYSA-N 1 0 366.421 2.236 50 0 FEAARO Cc1ccc([C@@]2(C(=O)N3CCC(=O)N(CC[NH+](C)C)CC3)CC2(C)C)cc1 ZINC000426523513 559736835 /nfs/dbraw/zinc/73/68/35/559736835.db2.gz OMVPPIPJFXJJJE-JOCHJYFZSA-N 1 0 371.525 2.285 50 0 FEAARO CSc1cccc(CN(C)C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000426544406 559737455 /nfs/dbraw/zinc/73/74/55/559737455.db2.gz OYZXEOWFAVFNJO-MRXNPFEDSA-N 1 0 351.516 2.397 50 0 FEAARO COc1ccc2cc([C@H](C)NC(=O)N(CCO)CC[NH+](C)C)ccc2c1 ZINC000426544598 559737486 /nfs/dbraw/zinc/73/74/86/559737486.db2.gz AAHYORFVFPUVMS-HNNXBMFYSA-N 1 0 359.470 2.475 50 0 FEAARO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000426548369 559737648 /nfs/dbraw/zinc/73/76/48/559737648.db2.gz AXXLDQPQGLCDSW-AQDCRGGLSA-N 1 0 356.514 2.369 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1NCCc2nc[nH]c21 ZINC000426595102 559738636 /nfs/dbraw/zinc/73/86/36/559738636.db2.gz WBSRWAIFCRKMIB-SFHVURJKSA-N 1 0 373.888 2.031 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1NCCc2nc[nH]c21 ZINC000426595101 559738660 /nfs/dbraw/zinc/73/86/60/559738660.db2.gz WBSRWAIFCRKMIB-GOSISDBHSA-N 1 0 373.888 2.031 50 0 FEAARO C[C@H](CCn1cccn1)NC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000426633822 559739350 /nfs/dbraw/zinc/73/93/50/559739350.db2.gz GVZJPKYEGHJMNE-QGZVFWFLSA-N 1 0 370.501 2.363 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)c(OCC[NH3+])c1 ZINC000426651233 559739612 /nfs/dbraw/zinc/73/96/12/559739612.db2.gz GKDUYDJEKKKYKY-INIZCTEOSA-N 1 0 372.469 2.090 50 0 FEAARO Cc1cccc([C@H](CNC(=O)N2CCC3(CCC(=O)N3)CC2)[NH+](C)C)c1 ZINC000534591494 562537763 /nfs/dbraw/zinc/53/77/63/562537763.db2.gz YYONKEVLTJVZJS-KRWDZBQOSA-N 1 0 358.486 2.052 50 0 FEAARO COc1ccc(CN(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)C2CC2)cc1 ZINC000534676136 562540102 /nfs/dbraw/zinc/54/01/02/562540102.db2.gz ZROJNSWQXJNTRT-QGZVFWFLSA-N 1 0 374.529 2.395 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000084544239 571088646 /nfs/dbraw/zinc/08/86/46/571088646.db2.gz QLGHUPGMYUCMOM-PMACEKPBSA-N 1 0 371.525 2.314 50 0 FEAARO C[NH+]1CCC(CNc2cc([C@@H]3CCOC3)ncn2)(c2ccccc2)CC1 ZINC000426396003 571129035 /nfs/dbraw/zinc/12/90/35/571129035.db2.gz SHWISBICVLIYAR-QGZVFWFLSA-N 1 0 352.482 3.056 50 0 FEAARO CCn1cc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cn1 ZINC000033312318 571147220 /nfs/dbraw/zinc/14/72/20/571147220.db2.gz LKTGPNROGRUDJU-HNNXBMFYSA-N 1 0 354.520 2.036 50 0 FEAARO Cc1ccc(CN2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000584889525 571314370 /nfs/dbraw/zinc/31/43/70/571314370.db2.gz GGNSEFGJTRYJMV-UHFFFAOYSA-N 1 0 372.513 2.225 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000584898469 571315779 /nfs/dbraw/zinc/31/57/79/571315779.db2.gz KQLAGBGKENYYFQ-AWEZNQCLSA-N 1 0 364.515 2.088 50 0 FEAARO C[N@@H+]1CC[C@@H](NC(=O)N(CCO)CCSc2ccc(Cl)cc2)C1 ZINC000584898678 571315924 /nfs/dbraw/zinc/31/59/24/571315924.db2.gz XEPGYHBYGHPXNF-CQSZACIVSA-N 1 0 357.907 2.140 50 0 FEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc2nnnn2c1 ZINC000670458237 571355459 /nfs/dbraw/zinc/35/54/59/571355459.db2.gz VFYAJTVYWIDFPN-GOSISDBHSA-N 1 0 364.453 2.471 50 0 FEAARO C[C@@H]1C[N@H+](C2CCN(C(=O)/C=C/c3cc(CO)cs3)CC2)C[C@H](C)O1 ZINC000952984814 681794885 /nfs/dbraw/zinc/79/48/85/681794885.db2.gz NJWIQAUCJGQIIF-MRINAFOASA-N 1 0 364.511 2.354 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(C(=O)Cn1ccc3ccccc31)CC2 ZINC000299800103 530053845 /nfs/dbraw/zinc/05/38/45/530053845.db2.gz ZYYQSOZOMXTZAP-UHFFFAOYSA-N 1 0 354.498 2.270 50 0 FEAARO Cn1cnnc1SCC(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000011814611 539535165 /nfs/dbraw/zinc/53/51/65/539535165.db2.gz VZWYPMWWGNIXCR-KRWDZBQOSA-N 1 0 373.526 2.073 50 0 FEAARO CCn1cc(CNC(=O)c2ccc(OC3CC[NH+](C)CC3)c(OC)c2)cn1 ZINC000012751171 539571893 /nfs/dbraw/zinc/57/18/93/539571893.db2.gz LIYZXXMGXGRNNX-UHFFFAOYSA-N 1 0 372.469 2.315 50 0 FEAARO Cc1cc(=O)[nH]c(CNC(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)n1 ZINC000012749476 539572145 /nfs/dbraw/zinc/57/21/45/539572145.db2.gz AXCCYOOZMYIIOA-UHFFFAOYSA-N 1 0 366.465 2.130 50 0 FEAARO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@@H]4C(=O)N3C2)cc1 ZINC000014537469 539604032 /nfs/dbraw/zinc/60/40/32/539604032.db2.gz HUVCJJXBMXVAQE-KSZLIROESA-N 1 0 355.482 2.048 50 0 FEAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014749578 539605043 /nfs/dbraw/zinc/60/50/43/539605043.db2.gz NKXRZWMTCJOLQO-UHFFFAOYSA-N 1 0 368.437 2.494 50 0 FEAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cccn1-c1cccnc1)CC2 ZINC000014745455 539605088 /nfs/dbraw/zinc/60/50/88/539605088.db2.gz SQVOQKQFVGHSOD-UHFFFAOYSA-N 1 0 367.453 2.121 50 0 FEAARO Cc1cc(S(=O)(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c(C)s1 ZINC000015066250 539610538 /nfs/dbraw/zinc/61/05/38/539610538.db2.gz ILARUONIUFHLLP-MRXNPFEDSA-N 1 0 373.588 2.402 50 0 FEAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016024599 539626848 /nfs/dbraw/zinc/62/68/48/539626848.db2.gz IFSJXCYDBHORNJ-UJKGCTCZSA-N 1 0 373.428 2.001 50 0 FEAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016585848 539634009 /nfs/dbraw/zinc/63/40/09/539634009.db2.gz UZSGLOPUIXTIGB-CQSZACIVSA-N 1 0 361.467 2.101 50 0 FEAARO CC1(C)CC(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)CC(C)(C)[NH2+]1 ZINC000020737028 539677490 /nfs/dbraw/zinc/67/74/90/539677490.db2.gz FHGGLPMWGYHKKV-UHFFFAOYSA-N 1 0 369.465 2.484 50 0 FEAARO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1)Nc1ccccc1 ZINC000020101675 539672437 /nfs/dbraw/zinc/67/24/37/539672437.db2.gz YRDJDWQYVNURJM-AWEZNQCLSA-N 1 0 368.372 2.485 50 0 FEAARO Cc1nn(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(=O)c2ccccc12 ZINC000021302503 539682223 /nfs/dbraw/zinc/68/22/23/539682223.db2.gz HCFHTDMOZXLVKU-MRXNPFEDSA-N 1 0 370.478 2.186 50 0 FEAARO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000022730354 539697908 /nfs/dbraw/zinc/69/79/08/539697908.db2.gz QZTSCSVSUHJRCC-CHWSQXEVSA-N 1 0 351.447 2.225 50 0 FEAARO Cc1cc2cc(C(=O)N3CCC(Cn4cc(C[NH3+])nn4)CC3)ccc2o1 ZINC000023145515 539707581 /nfs/dbraw/zinc/70/75/81/539707581.db2.gz FSVNATFCOCNFCS-UHFFFAOYSA-N 1 0 353.426 2.344 50 0 FEAARO NC(=O)NCc1cn(C2CC[NH+](Cc3ccc4occc4c3)CC2)nn1 ZINC000023159004 539708724 /nfs/dbraw/zinc/70/87/24/539708724.db2.gz SPJVGSYTKGYOMY-UHFFFAOYSA-N 1 0 354.414 2.030 50 0 FEAARO CCCn1c2ccccc2n(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1=O ZINC000024803131 539741327 /nfs/dbraw/zinc/74/13/27/539741327.db2.gz LQHHCSNBFDNPAL-INIZCTEOSA-N 1 0 358.486 2.204 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4c(c(Cl)c3)OCO4)cn2)CC1 ZINC000025178040 539750105 /nfs/dbraw/zinc/75/01/05/539750105.db2.gz OTRLJUOUWJTGPI-UHFFFAOYSA-N 1 0 374.828 2.468 50 0 FEAARO [NH2+]=C1N(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000032105087 539929719 /nfs/dbraw/zinc/92/97/19/539929719.db2.gz AKALKRHJTYQQOL-QZTJIDSGSA-N 1 0 355.463 2.105 50 0 FEAARO O=C(C[N@H+]1CCCN(c2ncnc3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000032765340 539951780 /nfs/dbraw/zinc/95/17/80/539951780.db2.gz PXPXKDPDTOKVNW-UHFFFAOYSA-N 1 0 373.888 2.418 50 0 FEAARO COc1cccc([C@H](CNc2nn3c(nc(C)cc3=O)s2)[NH+](C)C)c1 ZINC000032905149 539958814 /nfs/dbraw/zinc/95/88/14/539958814.db2.gz VZZXPFUSVOTQMD-AWEZNQCLSA-N 1 0 359.455 2.183 50 0 FEAARO Cc1cc2nc3sc(C(=O)NCC[NH+]4CCCC4)cc(=O)n3c2cc1C ZINC000033009089 539963766 /nfs/dbraw/zinc/96/37/66/539963766.db2.gz WSHPATKNEPJOHD-UHFFFAOYSA-N 1 0 370.478 2.352 50 0 FEAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[C@@](C)(O)C2)no1 ZINC000067946677 541531925 /nfs/dbraw/zinc/53/19/25/541531925.db2.gz BIKYGXMXEHPWGK-HXUWFJFHSA-N 1 0 357.454 2.336 50 0 FEAARO Cc1cc(C[NH+]2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)on1 ZINC000067982780 541535112 /nfs/dbraw/zinc/53/51/12/541535112.db2.gz KVTJAKQSGUPVGW-UHFFFAOYSA-N 1 0 367.453 2.306 50 0 FEAARO CCc1nccc(C[NH+]2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)n1 ZINC000067982029 541535455 /nfs/dbraw/zinc/53/54/55/541535455.db2.gz AJABLYDJCRUFDL-UHFFFAOYSA-N 1 0 364.453 2.293 50 0 FEAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000070014756 541730561 /nfs/dbraw/zinc/73/05/61/541730561.db2.gz STINEQGIKPJKKJ-AWEZNQCLSA-N 1 0 373.478 2.096 50 0 FEAARO c1cncc(OCCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)c1 ZINC000071575138 541768738 /nfs/dbraw/zinc/76/87/38/541768738.db2.gz JRVRQZULWXITMH-UHFFFAOYSA-N 1 0 362.437 2.460 50 0 FEAARO Cc1nc(Cn2nc([C@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)cs1 ZINC000071760984 541771483 /nfs/dbraw/zinc/77/14/83/541771483.db2.gz PUKZYECBSPGOLK-AWEZNQCLSA-N 1 0 355.467 2.314 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134312 541786152 /nfs/dbraw/zinc/78/61/52/541786152.db2.gz FQDYACAKFDBNDR-CQSZACIVSA-N 1 0 351.882 2.415 50 0 FEAARO COc1ccc(N2CCN(Cc3cccc(CC[NH3+])c3)[C@H](C)C2=O)cc1 ZINC000072144272 541787014 /nfs/dbraw/zinc/78/70/14/541787014.db2.gz RPOMMJBZLHPNIK-MRXNPFEDSA-N 1 0 353.466 2.434 50 0 FEAARO COCCN(Cc1cnn(C)c1)C(=O)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072161905 541792280 /nfs/dbraw/zinc/79/22/80/541792280.db2.gz JDFNADFYBKLWEJ-SFHVURJKSA-N 1 0 370.497 2.251 50 0 FEAARO O[C@H]1[C@H](n2cc(Cc3ccccc3)nn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072165231 541794434 /nfs/dbraw/zinc/79/44/34/541794434.db2.gz CEBCXZBAVGZLJV-RTWAWAEBSA-N 1 0 360.461 2.454 50 0 FEAARO O=C(N[C@H]1CCCOC1)c1ccc2c(c1)CN(CC[NH+]1CCCCC1)C2=O ZINC000072425034 541810952 /nfs/dbraw/zinc/81/09/52/541810952.db2.gz VXYVUKFEZMISCL-SFHVURJKSA-N 1 0 371.481 2.037 50 0 FEAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)C(C)(C)n3cccc3)C2)CCC1=O ZINC000072417800 541808516 /nfs/dbraw/zinc/80/85/16/541808516.db2.gz JZQSMUOXVQVZAX-NRFANRHFSA-N 1 0 374.529 2.016 50 0 FEAARO COc1cccc(C[C@@]2(C3CC[NH2+]CC3)NC(=O)N(C3CCCC3)C2=O)c1 ZINC000299770690 203761199 /nfs/dbraw/zinc/76/11/99/203761199.db2.gz VMAWDQYOTMLGLA-NRFANRHFSA-N 1 0 371.481 2.471 50 0 FEAARO COc1ccc2cc(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)n(C)c2c1 ZINC000072436232 541813979 /nfs/dbraw/zinc/81/39/79/541813979.db2.gz GIEPXMSZIWRFNG-UHFFFAOYSA-N 1 0 364.449 2.466 50 0 FEAARO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3ccnc3)C2)n1 ZINC000072454619 541816876 /nfs/dbraw/zinc/81/68/76/541816876.db2.gz NPJLPPFPCPMYAJ-AZUAARDMSA-N 1 0 367.497 2.490 50 0 FEAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072462959 541816974 /nfs/dbraw/zinc/81/69/74/541816974.db2.gz BJCPOMGSUBWPCM-OAQYLSRUSA-N 1 0 372.513 2.153 50 0 FEAARO CCN1C[C@]2(CCC[N@H+](Cc3cc(=O)n4ccc(C)cc4n3)C2)CCC1=O ZINC000072462962 541818092 /nfs/dbraw/zinc/81/80/92/541818092.db2.gz XIWRUAYFEDHELX-OAQYLSRUSA-N 1 0 368.481 2.227 50 0 FEAARO [NH3+]CCCOc1ccc(C(=O)NCc2csc(-c3ncccn3)n2)cc1 ZINC000299790677 203773298 /nfs/dbraw/zinc/77/32/98/203773298.db2.gz CHRATTCMDORNAG-UHFFFAOYSA-N 1 0 369.450 2.258 50 0 FEAARO CCn1nc(C)c(CCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1C ZINC000072469614 541818749 /nfs/dbraw/zinc/81/87/49/541818749.db2.gz WDIBTWKWPUTXTH-UHFFFAOYSA-N 1 0 353.474 2.316 50 0 FEAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072459100 541816629 /nfs/dbraw/zinc/81/66/29/541816629.db2.gz NDTZFRYUDCWQHO-UHFFFAOYSA-N 1 0 355.417 2.198 50 0 FEAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000002303317 204033121 /nfs/dbraw/zinc/03/31/21/204033121.db2.gz JZLKIKCXUABCET-CQSZACIVSA-N 1 0 373.453 2.438 50 0 FEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000004152876 204125329 /nfs/dbraw/zinc/12/53/29/204125329.db2.gz KVRXAXIARLEMRH-UHFFFAOYSA-N 1 0 364.442 2.308 50 0 FEAARO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003418525 204099461 /nfs/dbraw/zinc/09/94/61/204099461.db2.gz ISSXGIKQMVEUTA-UHFFFAOYSA-N 1 0 354.394 2.451 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000008263532 204323819 /nfs/dbraw/zinc/32/38/19/204323819.db2.gz QPVDJBPHHAXGSN-DZGCQCFKSA-N 1 0 367.515 2.304 50 0 FEAARO COC(=O)c1ccc2c(c1)nc(CSC1=[NH+][C@@H]3CCCC[C@H]3N1)[nH]c2=O ZINC000009478037 204369827 /nfs/dbraw/zinc/36/98/27/204369827.db2.gz SQDSGKHIVOCLCR-CHWSQXEVSA-N 1 0 372.450 2.213 50 0 FEAARO COc1cccc(NC(=O)N2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)c1 ZINC000023367488 204804248 /nfs/dbraw/zinc/80/42/48/204804248.db2.gz KFMSFNGKNKHLNT-UHFFFAOYSA-N 1 0 358.446 2.350 50 0 FEAARO CC(=O)NCc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000040007685 205048588 /nfs/dbraw/zinc/04/85/88/205048588.db2.gz QWQLZSMEOHDPOZ-LJQANCHMSA-N 1 0 357.429 2.495 50 0 FEAARO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](CC)[NH+]2CCCC2)cc1 ZINC000040090057 205054509 /nfs/dbraw/zinc/05/45/09/205054509.db2.gz JXMWAEBMCGEFNF-HNNXBMFYSA-N 1 0 354.472 2.016 50 0 FEAARO CCOc1cc(C[NH2+]CCCO)ccc1Oc1nnnn1-c1ccccc1 ZINC000040743697 205080730 /nfs/dbraw/zinc/08/07/30/205080730.db2.gz HDLUOVVJXHPEJQ-UHFFFAOYSA-N 1 0 369.425 2.325 50 0 FEAARO CC1(C)NC(=O)N(CCC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)C1=O ZINC000041626460 205091648 /nfs/dbraw/zinc/09/16/48/205091648.db2.gz ODSMLIMVXVQUER-CQSZACIVSA-N 1 0 365.499 2.450 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000042385759 205096245 /nfs/dbraw/zinc/09/62/45/205096245.db2.gz XMEAESVNXWXJBW-WMZOPIPTSA-N 1 0 363.477 2.439 50 0 FEAARO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)nn1-c1ccc(Br)cc1 ZINC000299738913 205116239 /nfs/dbraw/zinc/11/62/39/205116239.db2.gz IJNRMRZGJWDXJD-LBPRGKRZSA-N 1 0 363.259 2.364 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)Cn1ccccc1=O)c1cccc(OC)c1 ZINC000045827564 205125049 /nfs/dbraw/zinc/12/50/49/205125049.db2.gz PURPQKZYWVHIGY-GOSISDBHSA-N 1 0 357.454 2.056 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000046214076 205133966 /nfs/dbraw/zinc/13/39/66/205133966.db2.gz DDQVMVAHINQIDO-ZBFHGGJFSA-N 1 0 351.516 2.362 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000048332406 205158403 /nfs/dbraw/zinc/15/84/03/205158403.db2.gz OBYBQSSCYQJHTH-HOTGVXAUSA-N 1 0 368.481 2.188 50 0 FEAARO CC(C)(CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)[NH+]1CCCCC1 ZINC000048356677 205160551 /nfs/dbraw/zinc/16/05/51/205160551.db2.gz MLQIBKHOLCWHDU-UHFFFAOYSA-N 1 0 368.481 2.291 50 0 FEAARO O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000049992555 205176120 /nfs/dbraw/zinc/17/61/20/205176120.db2.gz SNXZPASXWVFKMK-IBGZPJMESA-N 1 0 351.450 2.266 50 0 FEAARO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)NC(N)=O)cc(C)c1OCC(F)(F)F ZINC000054395059 205200677 /nfs/dbraw/zinc/20/06/77/205200677.db2.gz WUQWZFBYXRAUMP-LLVKDONJSA-N 1 0 361.364 2.260 50 0 FEAARO CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055036061 205204244 /nfs/dbraw/zinc/20/42/44/205204244.db2.gz CSGLBMNMNNBUPC-IUYMFKLXSA-N 1 0 357.498 2.382 50 0 FEAARO CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055089318 205205857 /nfs/dbraw/zinc/20/58/57/205205857.db2.gz JVPAMIVTEYYDMD-HNNXBMFYSA-N 1 0 374.485 2.260 50 0 FEAARO CSc1ncc(C[NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cn1 ZINC000055154815 205207724 /nfs/dbraw/zinc/20/77/24/205207724.db2.gz NKBXBLHHEMHLLK-MRXNPFEDSA-N 1 0 360.458 2.271 50 0 FEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@@H](c1ccccn1)N1CCOCC1 ZINC000055370063 205216639 /nfs/dbraw/zinc/21/66/39/205216639.db2.gz VWSPWHAKNPNHFW-FQEVSTJZSA-N 1 0 374.529 2.227 50 0 FEAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnc3ccccn3c2=O)c1 ZINC000054032525 205197990 /nfs/dbraw/zinc/19/79/90/205197990.db2.gz AATJFTHNNKQLAU-UHFFFAOYSA-N 1 0 364.449 2.466 50 0 FEAARO O=C(CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000057174791 205235620 /nfs/dbraw/zinc/23/56/20/205235620.db2.gz WPAHOTQADWVWDM-UHFFFAOYSA-N 1 0 357.498 2.417 50 0 FEAARO CC[NH+](CC)[C@H](C)CNC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000058191827 205256546 /nfs/dbraw/zinc/25/65/46/205256546.db2.gz ZBKSNOLVTPUBTR-LLVKDONJSA-N 1 0 364.515 2.381 50 0 FEAARO O=C(CCn1c(=O)oc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000058192782 205257118 /nfs/dbraw/zinc/25/71/18/205257118.db2.gz XXSOOWLEAQZFFE-UHFFFAOYSA-N 1 0 357.454 2.462 50 0 FEAARO C[NH+](C)C[C@@H]1CCCN(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000058203073 205260304 /nfs/dbraw/zinc/26/03/04/205260304.db2.gz UOPLAEPFYSSDBC-NSHDSACASA-N 1 0 366.849 2.476 50 0 FEAARO CN(Cc1cscn1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000058214773 205261661 /nfs/dbraw/zinc/26/16/61/205261661.db2.gz FMUJMLDQWZNKRY-UHFFFAOYSA-N 1 0 373.526 2.102 50 0 FEAARO O=C(CCNc1ncccn1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000058210497 205262967 /nfs/dbraw/zinc/26/29/67/205262967.db2.gz SEVXBOSEQZZRQY-UHFFFAOYSA-N 1 0 357.483 2.466 50 0 FEAARO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCC(=O)NC(N)=O)OCCO3 ZINC000058571531 205276688 /nfs/dbraw/zinc/27/66/88/205276688.db2.gz YMGXTDBCDHUEBL-CYBMUJFWSA-N 1 0 373.453 2.231 50 0 FEAARO COc1ccc2[nH]c(=O)c(CCC(=O)NCC[NH+]3CCCCC3)cc2c1 ZINC000065245549 205328125 /nfs/dbraw/zinc/32/81/25/205328125.db2.gz MRWSSTZKWCAWCA-UHFFFAOYSA-N 1 0 357.454 2.484 50 0 FEAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cccc3cccnc32)c1=O ZINC000065426913 205350364 /nfs/dbraw/zinc/35/03/64/205350364.db2.gz PXBQNFQBMSOMTQ-UHFFFAOYSA-N 1 0 351.454 2.203 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000065457356 205351709 /nfs/dbraw/zinc/35/17/09/205351709.db2.gz YSIKVJHBFZMKCE-UHFFFAOYSA-N 1 0 366.469 2.371 50 0 FEAARO OCCn1c2ccccc2nc1N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000065526116 205357022 /nfs/dbraw/zinc/35/70/22/205357022.db2.gz GNGWKIYSRSFFFQ-UHFFFAOYSA-N 1 0 362.477 2.318 50 0 FEAARO COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc([C@@H]3CCC[NH2+]3)s1)C2 ZINC000065531637 205359201 /nfs/dbraw/zinc/35/92/01/205359201.db2.gz UUFMRRJDVAFGGP-ZDUSSCGKSA-N 1 0 374.466 2.202 50 0 FEAARO O=c1c2c3c(sc2ncn1Cc1noc(-c2ccccc2)n1)C[NH2+]CC3 ZINC000065380366 205341714 /nfs/dbraw/zinc/34/17/14/205341714.db2.gz QYYYGMAZZJXJEL-UHFFFAOYSA-N 1 0 365.418 2.202 50 0 FEAARO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000066948611 205366892 /nfs/dbraw/zinc/36/68/92/205366892.db2.gz HXJPAUZEQJGWGK-RBUKOAKNSA-N 1 0 357.498 2.020 50 0 FEAARO CN(CCN1CCCCC1=O)c1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067434533 205370605 /nfs/dbraw/zinc/37/06/05/205370605.db2.gz DIWJRJDDIIKVEG-UHFFFAOYSA-N 1 0 365.481 2.238 50 0 FEAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2nc(-c3ccccn3)no2)n1 ZINC000067604188 205377008 /nfs/dbraw/zinc/37/70/08/205377008.db2.gz PUMZKNHPVUUAMV-AWEZNQCLSA-N 1 0 365.441 2.333 50 0 FEAARO COCCN1CCC[C@@](O)(C[N@H+](C)Cc2cc3ccccc3s2)C1=O ZINC000067649131 205379053 /nfs/dbraw/zinc/37/90/53/205379053.db2.gz JZJSRGHAPOBCFX-LJQANCHMSA-N 1 0 362.495 2.333 50 0 FEAARO O=c1oc2ccccc2n1CCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000067674970 205381253 /nfs/dbraw/zinc/38/12/53/205381253.db2.gz OAJJNOOLAQQIAJ-UHFFFAOYSA-N 1 0 363.461 2.380 50 0 FEAARO CN(C)c1nc2c(c(N(C)C[C@@H]3CCN(c4ccccc4)C3)n1)CC[NH2+]C2 ZINC000067678861 205382771 /nfs/dbraw/zinc/38/27/71/205382771.db2.gz QDQIXUGLBLITOR-INIZCTEOSA-N 1 0 366.513 2.151 50 0 FEAARO C[C@H]1CCCCN1c1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067691894 205383391 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FEAARO O=C(Cc1ccc2[nH]c3ccccc3c2c1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000095380282 205743482 /nfs/dbraw/zinc/74/34/82/205743482.db2.gz FIHYIDIBHIQNFV-AOMKIAJQSA-N 1 0 363.461 2.437 50 0 FEAARO O[C@@H](COc1ccc(Cl)cc1CN1CC(O)C1)C[NH+]1CCCCCC1 ZINC000095511609 205775887 /nfs/dbraw/zinc/77/58/87/205775887.db2.gz VRJICARQFQFTNJ-GOSISDBHSA-N 1 0 368.905 2.132 50 0 FEAARO O[C@@H]1CN(Cc2noc(C3CCCC3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000108258906 206030121 /nfs/dbraw/zinc/03/01/21/206030121.db2.gz GOQAWGWMKKJNFD-SFHVURJKSA-N 1 0 356.470 2.406 50 0 FEAARO COc1ccc(CN(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1C ZINC000237281587 206097197 /nfs/dbraw/zinc/09/71/97/206097197.db2.gz ACOZJYBPEQFIGZ-UHFFFAOYSA-N 1 0 357.458 2.100 50 0 FEAARO O=C(NCc1ccccc1COc1ccccc1Cl)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099505 206113721 /nfs/dbraw/zinc/11/37/21/206113721.db2.gz MXMDZZSAFXBUIE-RDJZCZTQSA-N 1 0 360.841 2.258 50 0 FEAARO Cc1cccc(OCCN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)c1C ZINC000107407342 206244566 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COc1cc(C(=O)N(C)Cc2noc(C)n2)ccc1OC1CC[NH+](C)CC1 ZINC000095529427 542981865 /nfs/dbraw/zinc/98/18/65/542981865.db2.gz OAOPEVHHYULUCR-UHFFFAOYSA-N 1 0 374.441 2.132 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C)nc2)C[N@@H+]1C1CCCC1 ZINC000096137889 542993025 /nfs/dbraw/zinc/99/30/25/542993025.db2.gz RBULGIGRMYLEGR-HKUYNNGSSA-N 1 0 372.513 2.374 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096161941 542994610 /nfs/dbraw/zinc/99/46/10/542994610.db2.gz XVEMWLGKWULBGA-UHFFFAOYSA-N 1 0 373.476 2.166 50 0 FEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccn2nnnc2c1 ZINC000097244122 543008847 /nfs/dbraw/zinc/00/88/47/543008847.db2.gz ZJAHJBKAVGJPPI-GOSISDBHSA-N 1 0 364.453 2.471 50 0 FEAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(C(=O)[C@@H]3CCOC3)CC1)CC2 ZINC000097551253 543012985 /nfs/dbraw/zinc/01/29/85/543012985.db2.gz ZCLQUGFSKBIBBC-MRXNPFEDSA-N 1 0 374.481 2.089 50 0 FEAARO Cc1nc(-c2ccccc2)ncc1C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000097528897 543013099 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FEAARO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(NCc3cccs3)[nH]c2n1 ZINC000101797067 543046129 /nfs/dbraw/zinc/04/61/29/543046129.db2.gz VEQWPQBLEWMJTC-LBPRGKRZSA-N 1 0 358.471 2.466 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000122271039 543705263 /nfs/dbraw/zinc/70/52/63/543705263.db2.gz SVNBTONSHVZMNZ-GWCFXTLKSA-N 1 0 364.389 2.322 50 0 FEAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127087495 543972223 /nfs/dbraw/zinc/97/22/23/543972223.db2.gz OJVPBHCHAYBZEO-MZTNWIODSA-N 1 0 368.424 2.410 50 0 FEAARO Cn1nccc1CCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000129467323 544114370 /nfs/dbraw/zinc/11/43/70/544114370.db2.gz FBHMOFHZRMGKFR-GOSISDBHSA-N 1 0 368.481 2.457 50 0 FEAARO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000132349888 544228015 /nfs/dbraw/zinc/22/80/15/544228015.db2.gz WTYKLUMRWNAUJD-ZDUSSCGKSA-N 1 0 367.375 2.005 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)sc1C ZINC000133176159 544259061 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CC[NH+]1CCN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)CC1 ZINC000020028227 521689988 /nfs/dbraw/zinc/68/99/88/521689988.db2.gz JONQSWKJTYWUQL-UHFFFAOYSA-N 1 0 363.469 2.488 50 0 FEAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000091664132 523204884 /nfs/dbraw/zinc/20/48/84/523204884.db2.gz CKEBBCGKBSUSSK-UHFFFAOYSA-N 1 0 351.458 2.317 50 0 FEAARO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2CCO)c(C)c1C ZINC000020774856 524031466 /nfs/dbraw/zinc/03/14/66/524031466.db2.gz MERIJYBUZMBWAO-FQEVSTJZSA-N 1 0 362.514 2.360 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000156557918 524844642 /nfs/dbraw/zinc/84/46/42/524844642.db2.gz ALRBGTSGNRADCW-CMPLNLGQSA-N 1 0 364.389 2.180 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC[NH2+]1 ZINC000155017287 524877010 /nfs/dbraw/zinc/87/70/10/524877010.db2.gz SQVGIZXDRWLCMM-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO Cc1ccccc1OC1CN(C(=O)[C@@H]2CCCN2C2CC[NH+](C)CC2)C1 ZINC000082147989 525276813 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FEAARO O=C(CCCn1cccc1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000084606439 526469990 /nfs/dbraw/zinc/46/99/90/526469990.db2.gz NGDMWRUNBQUNQV-UHFFFAOYSA-N 1 0 374.529 2.109 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000178573187 527216284 /nfs/dbraw/zinc/21/62/84/527216284.db2.gz XLQCVIXGVSKMGI-ISUDXETCSA-N 1 0 367.243 2.041 50 0 FEAARO Cn1cc(CNc2ncnc3c2CC[N@H+](Cc2ccsc2)CC3)cn1 ZINC000072474629 527228034 /nfs/dbraw/zinc/22/80/34/527228034.db2.gz BPWJMCHDASGQAR-UHFFFAOYSA-N 1 0 354.483 2.485 50 0 FEAARO Cc1nccn1CCC[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091624950 527414793 /nfs/dbraw/zinc/41/47/93/527414793.db2.gz UQTLGQDIHXKGAZ-DOTOQJQBSA-N 1 0 359.499 2.161 50 0 FEAARO OCC[C@H]1C[N@H+](CCCn2cccn2)CCN1Cc1ccc(F)c(F)c1 ZINC000020455038 527573438 /nfs/dbraw/zinc/57/34/38/527573438.db2.gz JIDMCEOIUDREEN-KRWDZBQOSA-N 1 0 364.440 2.120 50 0 FEAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cnc(N3CCOCC3)nc2)C1 ZINC000091951323 535371665 /nfs/dbraw/zinc/37/16/65/535371665.db2.gz BOFNIIDCCNXDPO-HXUWFJFHSA-N 1 0 360.502 2.244 50 0 FEAARO CCCc1cnc(C)nc1N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000095359926 535436476 /nfs/dbraw/zinc/43/64/76/535436476.db2.gz SRCQOFBASKWOLS-FQEVSTJZSA-N 1 0 359.518 2.261 50 0 FEAARO CN1CC[NH+]([C@H]2CCN(c3nccc4ccccc43)C[C@H]2CCCO)CC1 ZINC000091745676 536417544 /nfs/dbraw/zinc/41/75/44/536417544.db2.gz GFTMUEXKJCCKDZ-CTNGQTDRSA-N 1 0 368.525 2.450 50 0 FEAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1CCN(CC(F)(F)F)CC1 ZINC000187494386 548258066 /nfs/dbraw/zinc/25/80/66/548258066.db2.gz BDURIDYWHRCFKV-CQSZACIVSA-N 1 0 362.440 2.044 50 0 FEAARO Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000221371664 548705027 /nfs/dbraw/zinc/70/50/27/548705027.db2.gz CTOYLHFUECLBSO-IBGZPJMESA-N 1 0 353.466 2.328 50 0 FEAARO COCc1nc(C)c(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(COC)n2)s1 ZINC000222815548 548711451 /nfs/dbraw/zinc/71/14/51/548711451.db2.gz GFMQKSLMNSTBPL-HAQNSBGRSA-N 1 0 363.487 2.351 50 0 FEAARO CN(C)c1nc(C2CC([NH3+])C2)cc(N(C)Cc2ccc3c(c2)OCO3)n1 ZINC000222730839 548712366 /nfs/dbraw/zinc/71/23/66/548712366.db2.gz ZDKSUXIIFVTHOI-UHFFFAOYSA-N 1 0 355.442 2.112 50 0 FEAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000223522493 548721376 /nfs/dbraw/zinc/72/13/76/548721376.db2.gz HNPKSQIEWAJGLM-UHFFFAOYSA-N 1 0 372.490 2.237 50 0 FEAARO COc1ccc([C@H](CN2CC[NH+](C)CC2)NC(=O)c2csc(C)n2)cc1 ZINC000225530825 548737374 /nfs/dbraw/zinc/73/73/74/548737374.db2.gz NWMNVLUPLCDQSW-KRWDZBQOSA-N 1 0 374.510 2.179 50 0 FEAARO C[C@@H]1CN(C[C@H]2CCCN2CC(=O)N2CCc3ccccc32)C[C@H](C)O1 ZINC000229655750 548757201 /nfs/dbraw/zinc/75/72/01/548757201.db2.gz WPSZGXOYTDIZCI-ZIFCJYIRSA-N 1 0 357.498 2.149 50 0 FEAARO CCc1ccccc1OCCN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230199998 548758629 /nfs/dbraw/zinc/75/86/29/548758629.db2.gz PCZYETNIJDSVFO-OAQYLSRUSA-N 1 0 359.514 2.256 50 0 FEAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1OC ZINC000236774930 548779366 /nfs/dbraw/zinc/77/93/66/548779366.db2.gz PXQMGKOKQVGYIL-FXAWDEMLSA-N 1 0 373.497 2.207 50 0 FEAARO CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCCC2 ZINC000236894838 548787105 /nfs/dbraw/zinc/78/71/05/548787105.db2.gz DAYSULOEXBGVFS-IAGOWNOFSA-N 1 0 361.490 2.012 50 0 FEAARO CC(=O)Nc1ccc(CNC(=O)C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000243902056 548889823 /nfs/dbraw/zinc/88/98/23/548889823.db2.gz BFMLHIZBSQLYIE-UHFFFAOYSA-N 1 0 351.450 2.360 50 0 FEAARO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000244594317 548890824 /nfs/dbraw/zinc/89/08/24/548890824.db2.gz DKVUGQIDGVJUSV-NRFANRHFSA-N 1 0 373.497 2.021 50 0 FEAARO CCn1c(CN2CCC(OCc3cccnc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244659466 548891941 /nfs/dbraw/zinc/89/19/41/548891941.db2.gz HDFFTQOCLHGYQQ-CALCHBBNSA-N 1 0 370.501 2.079 50 0 FEAARO O[C@@H](c1ccccn1)C1CCN(Cc2nc(-c3cccnc3)no2)CC1 ZINC000244794923 548895304 /nfs/dbraw/zinc/89/53/04/548895304.db2.gz QWMWTWVLBIBRAV-GOSISDBHSA-N 1 0 351.410 2.472 50 0 FEAARO COc1ccccc1NC(=O)CN1CCC([C@H](O)c2ccccn2)CC1 ZINC000244787896 548895434 /nfs/dbraw/zinc/89/54/34/548895434.db2.gz QFTICFCYJKTHNK-FQEVSTJZSA-N 1 0 355.438 2.474 50 0 FEAARO CCOC(C(=O)NC[C@@]1(O)CCC[NH2+]C1)(c1ccccc1)c1ccccc1 ZINC000244852682 548897217 /nfs/dbraw/zinc/89/72/17/548897217.db2.gz UWRVUARSIIFNBU-OAQYLSRUSA-N 1 0 368.477 2.197 50 0 FEAARO Cc1ccc(Cn2nc(C[NH2+]CCOCCO)c(-c3ccccc3)n2)cc1 ZINC000248083117 549405973 /nfs/dbraw/zinc/40/59/73/549405973.db2.gz JHNOFOTVYASGFU-UHFFFAOYSA-N 1 0 366.465 2.400 50 0 FEAARO COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000248163052 549412918 /nfs/dbraw/zinc/41/29/18/549412918.db2.gz YQJSNAJIQYBABK-WOJBJXKFSA-N 1 0 359.514 2.078 50 0 FEAARO Cc1ccc(C2(O)CC[NH+](CCC(=O)NCc3cccs3)CC2)nc1 ZINC000252483349 549667501 /nfs/dbraw/zinc/66/75/01/549667501.db2.gz DZJYOUYMOKCKDF-UHFFFAOYSA-N 1 0 359.495 2.441 50 0 FEAARO CS(=O)(=O)c1ccc(C2(C(=O)N3CCC([NH3+])CC3)CCCCC2)cc1 ZINC000252490436 549668670 /nfs/dbraw/zinc/66/86/70/549668670.db2.gz KTJLTIQNXPLNOM-UHFFFAOYSA-N 1 0 364.511 2.242 50 0 FEAARO Cc1noc([C@@H]2C[N@H+](Cc3cc4ccc(C)cc4[nH]c3=O)C[C@H]2CO)n1 ZINC000253408273 549686580 /nfs/dbraw/zinc/68/65/80/549686580.db2.gz KONHKUIZBZFLGB-JKSUJKDBSA-N 1 0 354.410 2.148 50 0 FEAARO Cn1c(CO)nnc1C1CC[NH+](Cc2cc(=O)c3cccc(F)c3[nH]2)CC1 ZINC000253537079 549691724 /nfs/dbraw/zinc/69/17/24/549691724.db2.gz WSKKQOMOHCPFQT-UHFFFAOYSA-N 1 0 371.416 2.080 50 0 FEAARO COc1ccc(/C=C\C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000254311251 549699496 /nfs/dbraw/zinc/69/94/96/549699496.db2.gz XPNGDYDQPWDLSJ-PXAMLJHWSA-N 1 0 362.470 2.070 50 0 FEAARO COC(=O)c1cn(C[C@@H](c2ccccc2)[NH+]2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588684 549911089 /nfs/dbraw/zinc/91/10/89/549911089.db2.gz XDFXHYAFAVIFJH-KRWDZBQOSA-N 1 0 366.421 2.300 50 0 FEAARO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(-c4cnn(C)c4)s3)C2=O)n(C)n1 ZINC000282385792 551221372 /nfs/dbraw/zinc/22/13/72/551221372.db2.gz ZLLOMBOVRAEUOI-HNNXBMFYSA-N 1 0 370.482 2.086 50 0 FEAARO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000283390545 551358487 /nfs/dbraw/zinc/35/84/87/551358487.db2.gz APGOORHEXOJDKQ-LJQANCHMSA-N 1 0 374.529 2.005 50 0 FEAARO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1n[nH]c2ccccc21 ZINC000284604481 551587872 /nfs/dbraw/zinc/58/78/72/551587872.db2.gz NKVKAPUTSFBMCO-IFXJQAMLSA-N 1 0 366.469 2.452 50 0 FEAARO COc1cccc(Oc2ccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3O)cc2)c1 ZINC000299756099 553611245 /nfs/dbraw/zinc/61/12/45/553611245.db2.gz CQYGPEHNDPQLHK-QZTJIDSGSA-N 1 0 357.410 2.332 50 0 FEAARO CN1CC[NH+](CC2(CNC(=O)Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000299755706 553611264 /nfs/dbraw/zinc/61/12/64/553611264.db2.gz DBZOLJPTTWEAAY-UHFFFAOYSA-N 1 0 353.869 2.165 50 0 FEAARO NC(=O)[C@H]1CCC[N@H+](CCNC(=O)Nc2cccc(-c3cscn3)c2)C1 ZINC000299771218 553612473 /nfs/dbraw/zinc/61/24/73/553612473.db2.gz WWJPXNIATIRRFC-AWEZNQCLSA-N 1 0 373.482 2.129 50 0 FEAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)NC[C@]1(O)CCC[NH2+]C1 ZINC000299775334 553613353 /nfs/dbraw/zinc/61/33/53/553613353.db2.gz DOOBNLNMWLCMDL-HNNXBMFYSA-N 1 0 361.364 2.340 50 0 FEAARO Cn1ccnc1[C@H]1CCN(C(=O)Nc2ccncc2Br)C1 ZINC000329480387 553954346 /nfs/dbraw/zinc/95/43/46/553954346.db2.gz CYASBFJEIRFFSD-JTQLQIEISA-N 1 0 350.220 2.021 50 0 FEAARO Cc1nn(C)c(C)c1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000408473512 558681083 /nfs/dbraw/zinc/68/10/83/558681083.db2.gz PCRKSPKAZNQYKY-FOIQADDNSA-N 1 0 354.498 2.464 50 0 FEAARO O=C(c1cccc(-c2nc3ccccc3n2CCO)c1)N1CCC[NH2+]CC1 ZINC000426479151 559735369 /nfs/dbraw/zinc/73/53/69/559735369.db2.gz WGPKENYMBGVRDA-UHFFFAOYSA-N 1 0 364.449 2.131 50 0 FEAARO CSc1cccc(CN(C)C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000426544405 559737436 /nfs/dbraw/zinc/73/74/36/559737436.db2.gz OYZXEOWFAVFNJO-INIZCTEOSA-N 1 0 351.516 2.397 50 0 FEAARO C[NH+]1CCN(CCNC(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000426573337 559738155 /nfs/dbraw/zinc/73/81/55/559738155.db2.gz XHYYCPZDTRDSLU-QGZVFWFLSA-N 1 0 364.921 2.476 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccsc3)cc2)C1 ZINC000426632812 559739269 /nfs/dbraw/zinc/73/92/69/559739269.db2.gz AKZOTXJLNYWPMW-MRXNPFEDSA-N 1 0 357.479 2.342 50 0 FEAARO [NH3+]CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426647081 559739647 /nfs/dbraw/zinc/73/96/47/559739647.db2.gz LBQAPIDFYGYGPS-IBGZPJMESA-N 1 0 365.424 2.045 50 0 FEAARO Cc1nnc(CN(C)C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000426668222 559739815 /nfs/dbraw/zinc/73/98/15/559739815.db2.gz DRKZOUDIMDFGRK-MRXNPFEDSA-N 1 0 361.421 2.496 50 0 FEAARO CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426677430 559740147 /nfs/dbraw/zinc/74/01/47/559740147.db2.gz IHJMVWHENUIICC-OAQYLSRUSA-N 1 0 373.497 2.036 50 0 FEAARO O=C(c1ccc(-c2ccc(O)cc2)cc1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000426701318 559740561 /nfs/dbraw/zinc/74/05/61/559740561.db2.gz AAOOEJKFJYBIMM-RXVVDRJESA-N 1 0 352.434 2.246 50 0 FEAARO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N1CCC([NH+]2CC=CC2)CC1 ZINC000101448742 570820417 /nfs/dbraw/zinc/82/04/17/570820417.db2.gz PKVCSMSNBBJFMG-UHFFFAOYSA-N 1 0 354.454 2.042 50 0 FEAARO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000685940145 571099535 /nfs/dbraw/zinc/09/95/35/571099535.db2.gz XWKRJKHBJDIQNV-IAGOWNOFSA-N 1 0 356.397 2.472 50 0 FEAARO Cn1nccc1[C@@H]1CCCCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941377 571100883 /nfs/dbraw/zinc/10/08/83/571100883.db2.gz AYXVTFFAHFQIQR-KRWDZBQOSA-N 1 0 356.474 2.320 50 0 FEAARO C[NH+]1CCC(CCC(=O)N[C@H](c2nnc(N)s2)c2ccccc2)CC1 ZINC000426411538 571136904 /nfs/dbraw/zinc/13/69/04/571136904.db2.gz RYLDMFFJYMBNFP-INIZCTEOSA-N 1 0 359.499 2.448 50 0 FEAARO Cc1cc(N)[nH+]c(C)c1-c1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1 ZINC000426429909 571138101 /nfs/dbraw/zinc/13/81/01/571138101.db2.gz ZXEZYQBUZJIVLK-ZDUSSCGKSA-N 1 0 350.426 2.358 50 0 FEAARO CC[NH+](CC)CCNC(=O)CCn1c2cc(C)c(C)cc2nc(C)c1=O ZINC000033005507 571146544 /nfs/dbraw/zinc/14/65/44/571146544.db2.gz DNZFWUWNRIMBOO-UHFFFAOYSA-N 1 0 358.486 2.170 50 0 FEAARO CO[C@]12CCN(C(=O)C[NH+]3CCC(c4ccccc4)CC3)[C@H]1C[C@H](O)CC2 ZINC000426388089 571218736 /nfs/dbraw/zinc/21/87/36/571218736.db2.gz ZCUXODOHAGZJOI-RZUBCFFCSA-N 1 0 372.509 2.397 50 0 FEAARO CCCn1ncnc1[C@@H](C)NC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000584889058 571314240 /nfs/dbraw/zinc/31/42/40/571314240.db2.gz XYZLQYHSPFYIAV-MRXNPFEDSA-N 1 0 371.489 2.374 50 0 FEAARO CN1CCCCC[C@@H]1c1nc(CC(N)=O)nn1C1Cc2ccccc2C1 ZINC000670468186 571359080 /nfs/dbraw/zinc/35/90/80/571359080.db2.gz DOMOQGKPGPPKSP-QGZVFWFLSA-N 1 0 353.470 2.193 50 0 FEAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C(C)C)C2 ZINC000020909888 670031270 /nfs/dbraw/zinc/03/12/70/670031270.db2.gz AUENARMTAKLEPJ-AWEZNQCLSA-N 1 0 350.532 2.337 50 0 FEAARO O=C1C[C@H](N2CCSCC2)C(=O)N1c1cccc(Br)c1 ZINC000000705750 539332167 /nfs/dbraw/zinc/33/21/67/539332167.db2.gz XIBMPLRXDCXXOC-LBPRGKRZSA-N 1 0 355.257 2.130 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000009620412 539506131 /nfs/dbraw/zinc/50/61/31/539506131.db2.gz SUZAVKKNKMYREX-UHFFFAOYSA-N 1 0 353.470 2.498 50 0 FEAARO Cc1cccc(C[NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)n1 ZINC000012126672 539544915 /nfs/dbraw/zinc/54/49/15/539544915.db2.gz NFZIRBDFWXWSQH-UHFFFAOYSA-N 1 0 356.474 2.204 50 0 FEAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)o1 ZINC000012227654 539551341 /nfs/dbraw/zinc/55/13/41/539551341.db2.gz FYGXDKJJVGCJEJ-KRWDZBQOSA-N 1 0 373.497 2.317 50 0 FEAARO Cc1nonc1CC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012580016 539565740 /nfs/dbraw/zinc/56/57/40/539565740.db2.gz WEWINKMWRCOECB-UHFFFAOYSA-N 1 0 374.460 2.473 50 0 FEAARO CC[N@@H+]1CC[C@@H](CN(C)C(=O)c2cn(C/C=C/c3ccccc3)nn2)C1 ZINC000012701780 539570227 /nfs/dbraw/zinc/57/02/27/539570227.db2.gz WZNNYDFVVCNPNG-HKMNZKMDSA-N 1 0 353.470 2.405 50 0 FEAARO CSCCC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000012707395 539571412 /nfs/dbraw/zinc/57/14/12/539571412.db2.gz PPHOKDQMWIPSAI-AWEZNQCLSA-N 1 0 352.504 2.248 50 0 FEAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCC[C@@H]2[C@H]1N1CCOCC1 ZINC000013210864 539585167 /nfs/dbraw/zinc/58/51/67/539585167.db2.gz DDVCADSEIQHMPX-OZOXKJRCSA-N 1 0 368.481 2.208 50 0 FEAARO O=C(NCCCc1ccccn1)c1ccc(N[C@H]2C[NH+]3CCC2CC3)nc1 ZINC000015065448 539610576 /nfs/dbraw/zinc/61/05/76/539610576.db2.gz JPXJDEDLKIRTBN-IBGZPJMESA-N 1 0 365.481 2.345 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000018322864 539648885 /nfs/dbraw/zinc/64/88/85/539648885.db2.gz IWKSNBHXXFYIFD-INIZCTEOSA-N 1 0 372.396 2.307 50 0 FEAARO O[C@H]1C[N@H+](Cc2sc3ccccc3c2Cl)C[C@@H]1N1CCOCC1 ZINC000019222693 539653080 /nfs/dbraw/zinc/65/30/80/539653080.db2.gz FDWMANKWEAWZQM-KBPBESRZSA-N 1 0 352.887 2.432 50 0 FEAARO CSc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000019228777 539653163 /nfs/dbraw/zinc/65/31/63/539653163.db2.gz KTRJJAUJBOFKIP-IBGZPJMESA-N 1 0 363.571 2.371 50 0 FEAARO CC[C@H]1CN(C(=O)c2ccc(NCc3cnn(C)c3)nc2)CC[N@@H+]1C(C)C ZINC000019334484 539655140 /nfs/dbraw/zinc/65/51/40/539655140.db2.gz UIYABPSVBPIZAO-SFHVURJKSA-N 1 0 370.501 2.372 50 0 FEAARO CN1C(=O)C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000019359271 539656384 /nfs/dbraw/zinc/65/63/84/539656384.db2.gz FKXDZSDKDAXBHA-IBGZPJMESA-N 1 0 363.461 2.151 50 0 FEAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCN(C)C ZINC000019607922 539664014 /nfs/dbraw/zinc/66/40/14/539664014.db2.gz JKSGGAKPUVIQSG-UHFFFAOYSA-N 1 0 357.502 2.310 50 0 FEAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cn1 ZINC000019607647 539664556 /nfs/dbraw/zinc/66/45/56/539664556.db2.gz MHSIVGJYRPMRKH-GOSISDBHSA-N 1 0 356.470 2.178 50 0 FEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)o1 ZINC000020784248 539677647 /nfs/dbraw/zinc/67/76/47/539677647.db2.gz MCJVYBSWLICPBO-CQSZACIVSA-N 1 0 359.474 2.325 50 0 FEAARO Cc1ccc(OCCCN2CC[NH2+]CC2)c(I)c1 ZINC000020272135 539673260 /nfs/dbraw/zinc/67/32/60/539673260.db2.gz FWYUJMZRMAOIHZ-UHFFFAOYSA-N 1 0 360.239 2.274 50 0 FEAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020324780 539674540 /nfs/dbraw/zinc/67/45/40/539674540.db2.gz LOBBIZUACNQMOD-KRWDZBQOSA-N 1 0 362.470 2.235 50 0 FEAARO CN1CCN(c2nnc(-n3cccc3C[NH2+]CCc3ccco3)s2)CC1 ZINC000021531676 539684525 /nfs/dbraw/zinc/68/45/25/539684525.db2.gz NRIZMLOZUFINLE-UHFFFAOYSA-N 1 0 372.498 2.006 50 0 FEAARO CCN1CCN(C(=O)c2ccc(SCC[NH+]3CCCCC3)nc2)CC1 ZINC000021663486 539686335 /nfs/dbraw/zinc/68/63/35/539686335.db2.gz QZUCAAWRKFWKBL-UHFFFAOYSA-N 1 0 362.543 2.437 50 0 FEAARO Cc1cccc(C[NH+]2CCN(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)CC2)c1 ZINC000022815792 539700967 /nfs/dbraw/zinc/70/09/67/539700967.db2.gz HPBSPOJSBVHGDO-RTBURBONSA-N 1 0 353.466 2.021 50 0 FEAARO CCOC(=O)c1ccc(NC(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000024980274 539745433 /nfs/dbraw/zinc/74/54/33/539745433.db2.gz NAAZITYQHFLPKL-UHFFFAOYSA-N 1 0 374.485 2.109 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(N2CCOCC2)nc1)c1ccsc1 ZINC000025331801 539755878 /nfs/dbraw/zinc/75/58/78/539755878.db2.gz VGSHCGOESIYICL-INIZCTEOSA-N 1 0 360.483 2.012 50 0 FEAARO CC(C)[C@@H](CNC(=O)CNC(=O)c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000025537899 539762219 /nfs/dbraw/zinc/76/22/19/539762219.db2.gz SHZWCIXHMXTLTD-GOSISDBHSA-N 1 0 369.465 2.209 50 0 FEAARO Cc1sc2ncnc(NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2c1C ZINC000029831559 539865209 /nfs/dbraw/zinc/86/52/09/539865209.db2.gz TZLIFZCCDYMPFA-CABCVRRESA-N 1 0 362.499 2.457 50 0 FEAARO COc1ccccc1[C@@H](C)[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032850948 539955757 /nfs/dbraw/zinc/95/57/57/539955757.db2.gz VYZDSTIFLMRPPE-CYBMUJFWSA-N 1 0 350.440 2.072 50 0 FEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000032873756 539957291 /nfs/dbraw/zinc/95/72/91/539957291.db2.gz PAUJLJPNNUGWFP-ROUUACIJSA-N 1 0 367.449 2.275 50 0 FEAARO COCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000032916536 539959294 /nfs/dbraw/zinc/95/92/94/539959294.db2.gz WDOBQAILNXPGRV-UHFFFAOYSA-N 1 0 350.484 2.429 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000063193912 541158873 /nfs/dbraw/zinc/15/88/73/541158873.db2.gz ABGYGNPAZDASEX-JOYOIKCWSA-N 1 0 365.268 2.479 50 0 FEAARO Cc1c2cc(C)ccc2oc1C[NH+]1CCN(c2cc(N)nc(N)n2)CC1 ZINC000067880691 541524034 /nfs/dbraw/zinc/52/40/34/541524034.db2.gz KQTJFCIPZYRJAG-UHFFFAOYSA-N 1 0 352.442 2.326 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[N@@H+]3CCCO[C@H](Cn4cccn4)C3)cc2c1 ZINC000067975030 541534235 /nfs/dbraw/zinc/53/42/35/541534235.db2.gz ZMGXORCPVLILFT-SFHVURJKSA-N 1 0 368.437 2.024 50 0 FEAARO CNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000071524483 541767835 /nfs/dbraw/zinc/76/78/35/541767835.db2.gz CCCHJDTYFZKMRC-ZDUSSCGKSA-N 1 0 359.426 2.235 50 0 FEAARO CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3cccnc3)nc2N(C)C)C1 ZINC000071751798 541770351 /nfs/dbraw/zinc/77/03/51/541770351.db2.gz QYKPLYFJNQEHFX-INIZCTEOSA-N 1 0 368.485 2.007 50 0 FEAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071751651 541770456 /nfs/dbraw/zinc/77/04/56/541770456.db2.gz FVBVSGVJECSHGO-SFHVURJKSA-N 1 0 359.518 2.187 50 0 FEAARO [NH3+][C@H](CC1CCCC1)C(=O)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000071753363 541770695 /nfs/dbraw/zinc/77/06/95/541770695.db2.gz WXMWVPDFAISVAC-QGZVFWFLSA-N 1 0 366.465 2.229 50 0 FEAARO CCC[N@@H+]1CCCN(c2ccnc(C(=O)NCc3ccncc3)c2)CC1 ZINC000071763479 541771367 /nfs/dbraw/zinc/77/13/67/541771367.db2.gz GSMVNCJVNKZYOC-UHFFFAOYSA-N 1 0 353.470 2.329 50 0 FEAARO O=C(NCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071776410 541771774 /nfs/dbraw/zinc/77/17/74/541771774.db2.gz YWZFPDFCHGWMTK-INIZCTEOSA-N 1 0 359.470 2.009 50 0 FEAARO CC(C)[NH+]1CCN(C(=O)CCNc2nccc(CCC(F)(F)F)n2)CC1 ZINC000071764791 541771982 /nfs/dbraw/zinc/77/19/82/541771982.db2.gz UEHABJAPRABRAK-UHFFFAOYSA-N 1 0 373.423 2.326 50 0 FEAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cc(F)c(F)c(F)c2)c1=O ZINC000071774423 541772174 /nfs/dbraw/zinc/77/21/74/541772174.db2.gz CXXJXHCXJOMVTE-UHFFFAOYSA-N 1 0 354.376 2.072 50 0 FEAARO Cc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3C)C2)c(C)n1-n1cnnc1 ZINC000071765647 541772243 /nfs/dbraw/zinc/77/22/43/541772243.db2.gz HRHHAVCSOSCREK-HXUWFJFHSA-N 1 0 351.454 2.410 50 0 FEAARO Cc1nc(C)n(CCCNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)n1 ZINC000072132923 541785425 /nfs/dbraw/zinc/78/54/25/541785425.db2.gz WWDROIPZENUFCV-UHFFFAOYSA-N 1 0 355.486 2.257 50 0 FEAARO NC(=O)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1=O ZINC000072122552 541784515 /nfs/dbraw/zinc/78/45/15/541784515.db2.gz LCADSGFLSQHCLF-FQEVSTJZSA-N 1 0 369.852 2.316 50 0 FEAARO CCN1C(=O)NC(=O)C12CC[NH+](Cc1cnc(-c3cccs3)nc1)CC2 ZINC000072124080 541784613 /nfs/dbraw/zinc/78/46/13/541784613.db2.gz IEYFYLLBVFNSSE-UHFFFAOYSA-N 1 0 371.466 2.111 50 0 FEAARO O=C(C[N@@H+]1CCCC[C@H]1CCN1CCOCC1)N1CCc2ccccc21 ZINC000072134492 541785790 /nfs/dbraw/zinc/78/57/90/541785790.db2.gz QJSPDOZAUWUXBM-IBGZPJMESA-N 1 0 357.498 2.153 50 0 FEAARO C[NH+](C)[C@H]1CCCN(Cc2cc3n(n2)CCN(Cc2cccc(O)c2)C3)C1 ZINC000072138654 541786448 /nfs/dbraw/zinc/78/64/48/541786448.db2.gz VYVXERPKQPPUPE-IBGZPJMESA-N 1 0 369.513 2.131 50 0 FEAARO CC[NH+](CC)Cc1cc(C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)c(C)o1 ZINC000072148329 541789188 /nfs/dbraw/zinc/78/91/88/541789188.db2.gz HBSYJXUILJQLFN-UHFFFAOYSA-N 1 0 358.442 2.020 50 0 FEAARO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c(=O)[nH]1 ZINC000072156003 541791019 /nfs/dbraw/zinc/79/10/19/541791019.db2.gz YRIRZAPNEOGHCW-MRXNPFEDSA-N 1 0 360.502 2.233 50 0 FEAARO CNc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)ccn1 ZINC000072158689 541791364 /nfs/dbraw/zinc/79/13/64/541791364.db2.gz YCTRNWVQEQTVSI-LJQANCHMSA-N 1 0 350.466 2.439 50 0 FEAARO COc1cc(Cl)cc2cc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)oc21 ZINC000072159234 541791625 /nfs/dbraw/zinc/79/16/25/541791625.db2.gz CVUDJDSODGHCTN-KRWDZBQOSA-N 1 0 352.818 2.233 50 0 FEAARO CCNc1ncc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072165396 541794060 /nfs/dbraw/zinc/79/40/60/541794060.db2.gz WFYSZVUOSUIASL-IBGZPJMESA-N 1 0 365.481 2.224 50 0 FEAARO Cc1nnc(SCCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)s1 ZINC000072422670 541808886 /nfs/dbraw/zinc/80/88/86/541808886.db2.gz SKSBPVQLZLLECE-UHFFFAOYSA-N 1 0 361.500 2.192 50 0 FEAARO Cc1ccc(N2C[C@H](n3ccnc3-c3cc4n(n3)CC[NH2+]C4)CC2=O)cc1 ZINC000072433091 541813768 /nfs/dbraw/zinc/81/37/68/541813768.db2.gz RSLWITYAWXGGSA-QGZVFWFLSA-N 1 0 362.437 2.136 50 0 FEAARO Cc1c(NC(=O)NC[C@]2(O)CCC[NH2+]C2)cccc1NC(=O)C1CCCC1 ZINC000299786956 203771302 /nfs/dbraw/zinc/77/13/02/203771302.db2.gz YHWUJPNKRMSNKM-FQEVSTJZSA-N 1 0 374.485 2.360 50 0 FEAARO Nc1nc2c(c(NCCCc3nc4ccccc4s3)n1)CC[NH2+]CC2 ZINC000072475491 541819657 /nfs/dbraw/zinc/81/96/57/541819657.db2.gz KQEMHVMHQMZAJH-UHFFFAOYSA-N 1 0 354.483 2.401 50 0 FEAARO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000182084725 203878789 /nfs/dbraw/zinc/87/87/89/203878789.db2.gz YLFGYPGRULRINZ-GFCCVEGCSA-N 1 0 365.421 2.453 50 0 FEAARO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000002021931 204023705 /nfs/dbraw/zinc/02/37/05/204023705.db2.gz ANZXOIAKUNOVQU-OAHLLOKOSA-N 1 0 367.446 2.229 50 0 world FEAARO O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002791001 204058279 /nfs/dbraw/zinc/05/82/79/204058279.db2.gz WYLJAASOSNQFBG-MRXNPFEDSA-N 1 0 365.412 2.456 50 0 FEAARO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000004100072 204121200 /nfs/dbraw/zinc/12/12/00/204121200.db2.gz KJILWBZUTQOJFA-FQEVSTJZSA-N 1 0 371.525 2.460 50 0 FEAARO COc1cc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000005028884 204186072 /nfs/dbraw/zinc/18/60/72/204186072.db2.gz IGFPZUIONLNUDO-ZBFHGGJFSA-N 1 0 353.459 2.322 50 0 FEAARO Cn1c(=O)cc(OCCCC(=O)NCCC[NH+]2CCCC2)c2ccccc21 ZINC000005067750 204189761 /nfs/dbraw/zinc/18/97/61/204189761.db2.gz ROBFGPCETJSWEY-UHFFFAOYSA-N 1 0 371.481 2.300 50 0 FEAARO COc1ccc([C@@H](CNC(=O)Cc2ccc3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000008346280 204329264 /nfs/dbraw/zinc/32/92/64/204329264.db2.gz MRBFGTIZFFDHDX-GOSISDBHSA-N 1 0 370.449 2.428 50 0 FEAARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1nccs1 ZINC000009127121 204355592 /nfs/dbraw/zinc/35/55/92/204355592.db2.gz CRFQOZJUFUPNOV-UHFFFAOYSA-N 1 0 360.468 2.480 50 0 FEAARO COc1cc2nc(CSC3=[NH+][C@@H]4CCCC[C@@H]4N3)[nH]c(=O)c2cc1OC ZINC000009478027 204369473 /nfs/dbraw/zinc/36/94/73/204369473.db2.gz YTIIQYMXVIFUEL-TXEJJXNPSA-N 1 0 374.466 2.444 50 0 FEAARO C[NH+](C)CCCN(C(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000008718918 204340985 /nfs/dbraw/zinc/34/09/85/204340985.db2.gz PAMVUEMPMXGBHH-HNNXBMFYSA-N 1 0 373.906 2.313 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CCSC)CC1 ZINC000011661648 204409425 /nfs/dbraw/zinc/40/94/25/204409425.db2.gz HICBNDWLRTYOAX-QGZVFWFLSA-N 1 0 358.548 2.106 50 0 FEAARO C[NH+](C)CCNC(=O)COCC(=O)N(c1ccccc1)c1ccccc1 ZINC000009850337 204383871 /nfs/dbraw/zinc/38/38/71/204383871.db2.gz HRPCJMXJVADTPW-UHFFFAOYSA-N 1 0 355.438 2.046 50 0 FEAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014746617 204586708 /nfs/dbraw/zinc/58/67/08/204586708.db2.gz PWGHOFWUWHORKN-MRXNPFEDSA-N 1 0 370.522 2.256 50 0 FEAARO Cc1ccc(OC[C@@H]2C[NH2+]C[C@H](C(=O)NCCc3ccccc3)C2)cn1 ZINC000014743576 204587385 /nfs/dbraw/zinc/58/73/85/204587385.db2.gz UOIYGZKBIOINOW-RBUKOAKNSA-N 1 0 353.466 2.353 50 0 FEAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCSC)cc1 ZINC000014981972 204595498 /nfs/dbraw/zinc/59/54/98/204595498.db2.gz BJODBTMIAYTQNF-MRXNPFEDSA-N 1 0 350.484 2.307 50 0 FEAARO CCOC(=O)c1cccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000072057662 205032192 /nfs/dbraw/zinc/03/21/92/205032192.db2.gz FXFNGPSWCIEQRW-UHFFFAOYSA-N 1 0 356.488 2.260 50 0 FEAARO O=C(c1ccc(C(F)(F)F)nc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000040120300 205058401 /nfs/dbraw/zinc/05/84/01/205058401.db2.gz VOYUYUXVATXXAB-CQSZACIVSA-N 1 0 357.376 2.427 50 0 FEAARO O=C(c1ccc(C(F)(F)F)nc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000040120299 205058633 /nfs/dbraw/zinc/05/86/33/205058633.db2.gz VOYUYUXVATXXAB-AWEZNQCLSA-N 1 0 357.376 2.427 50 0 FEAARO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000040153477 205060678 /nfs/dbraw/zinc/06/06/78/205060678.db2.gz IBWHHZNUAPBVIN-IAGOWNOFSA-N 1 0 369.303 2.279 50 0 FEAARO C[C@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040160874 205061902 /nfs/dbraw/zinc/06/19/02/205061902.db2.gz YDYNYGUNBRUSAF-HNNXBMFYSA-N 1 0 355.438 2.179 50 0 FEAARO CC(C)CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000045966881 205128174 /nfs/dbraw/zinc/12/81/74/205128174.db2.gz OWVBBCBIJKIHNP-UHFFFAOYSA-N 1 0 351.878 2.260 50 0 FEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046786373 205138605 /nfs/dbraw/zinc/13/86/05/205138605.db2.gz BMPGVWPCSKAUKH-HNNXBMFYSA-N 1 0 357.458 2.445 50 0 FEAARO Cc1cc(=O)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nn1-c1ccccc1 ZINC000046954300 205141157 /nfs/dbraw/zinc/14/11/57/205141157.db2.gz YASCAWYKOWWRIG-RDJZCZTQSA-N 1 0 368.481 2.391 50 0 FEAARO O=C(COc1ccccc1Cl)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000046048087 205130188 /nfs/dbraw/zinc/13/01/88/205130188.db2.gz YAVOJHPLIKQEAG-OAHLLOKOSA-N 1 0 352.862 2.432 50 0 FEAARO C[C@@H](CNC(=O)NCCNC(=O)c1ccccc1F)[N@@H+]1CCCC[C@H]1C ZINC000050111710 205178383 /nfs/dbraw/zinc/17/83/83/205178383.db2.gz FJZPRZFGQWWOKF-CABCVRRESA-N 1 0 364.465 2.118 50 0 FEAARO CCOC(=O)CN(C)c1ncc(C[NH2+][C@H](C)c2c(C)nn(CC)c2C)cn1 ZINC000055211837 205211371 /nfs/dbraw/zinc/21/13/71/205211371.db2.gz WXMNVXVQDGHJDR-CYBMUJFWSA-N 1 0 374.489 2.160 50 0 FEAARO Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]([NH3+])Cc3cscn3)n2)c1 ZINC000055253345 205213046 /nfs/dbraw/zinc/21/30/46/205213046.db2.gz YOWWSZGIYWOSNE-AWEZNQCLSA-N 1 0 357.439 2.030 50 0 FEAARO COc1ccc(CCNC(=[NH2+])NCC(=O)N(C)Cc2ccccc2)cc1 ZINC000058111952 205249824 /nfs/dbraw/zinc/24/98/24/205249824.db2.gz DYAMKKAJFRYCHS-UHFFFAOYSA-N 1 0 354.454 2.010 50 0 FEAARO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)([NH+](C)C)C1 ZINC000058202185 205259480 /nfs/dbraw/zinc/25/94/80/205259480.db2.gz UZZLSRPCZVEGNI-QINHECLXSA-N 1 0 361.486 2.255 50 0 FEAARO C[C@H](Cn1cccn1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058298823 205270431 /nfs/dbraw/zinc/27/04/31/205270431.db2.gz YAMCZMNOHHBNLT-MJGOQNOKSA-N 1 0 355.486 2.483 50 0 FEAARO O=C(CCNc1cnc2cnccn12)N1CC[NH+](C2CCCCC2)CC1 ZINC000064758265 205304539 /nfs/dbraw/zinc/30/45/39/205304539.db2.gz ZYBMFPRPVXDVHM-UHFFFAOYSA-N 1 0 356.474 2.008 50 0 FEAARO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc2nc(C)nc(C)c12 ZINC000062580121 205290869 /nfs/dbraw/zinc/29/08/69/205290869.db2.gz HKSNZDREMIOSBZ-ZIAGYGMSSA-N 1 0 360.483 2.210 50 0 FEAARO C[C@@H]([NH2+]CCN1N=C(c2ccccc2)CCC1=O)C(=O)NC1CCCC1 ZINC000065431768 205349993 /nfs/dbraw/zinc/34/99/93/205349993.db2.gz OLVWCFLCUCRLKP-OAHLLOKOSA-N 1 0 356.470 2.050 50 0 FEAARO CCOC(=O)N1CCC([NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000065467900 205353389 /nfs/dbraw/zinc/35/33/89/205353389.db2.gz RQUXHYHULQRGNS-UHFFFAOYSA-N 1 0 353.507 2.232 50 0 FEAARO O=C1NCCN(C2CC[NH+](Cc3ccccn3)CC2)[C@H]1c1ccc(F)cc1 ZINC000065468571 205354361 /nfs/dbraw/zinc/35/43/61/205354361.db2.gz KDHUNAUVOLMVCC-FQEVSTJZSA-N 1 0 368.456 2.358 50 0 FEAARO CC(C)Cc1nc(CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000065526335 205357601 /nfs/dbraw/zinc/35/76/01/205357601.db2.gz TXCFWSNKHNABKV-UHFFFAOYSA-N 1 0 371.485 2.292 50 0 FEAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)Cc2ccc(F)cc2)[nH+]1 ZINC000065364678 205339763 /nfs/dbraw/zinc/33/97/63/205339763.db2.gz PEOCWQSKXZDKDM-UHFFFAOYSA-N 1 0 357.433 2.295 50 0 FEAARO Cc1ccccc1C[C@]1(C2CC[NH2+]CC2)NC(=O)N(C2CCOCC2)C1=O ZINC000067490308 205373257 /nfs/dbraw/zinc/37/32/57/205373257.db2.gz KHLCLTYPARWVNH-OAQYLSRUSA-N 1 0 371.481 2.007 50 0 FEAARO COCC[NH+]1CCC(n2nccc2NC(=O)[C@H](OC)c2ccccc2)CC1 ZINC000067490679 205373344 /nfs/dbraw/zinc/37/33/44/205373344.db2.gz UPKSPQDSWHWVNQ-LJQANCHMSA-N 1 0 372.469 2.493 50 0 FEAARO CCNc1cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)nc(C)[nH+]1 ZINC000067604883 205376819 /nfs/dbraw/zinc/37/68/19/205376819.db2.gz VYXFCOXAOXTFRC-UHFFFAOYSA-N 1 0 361.396 2.457 50 0 FEAARO CN1CCN(C(=O)c2ccc3cccc(F)c3n2)CC12CC[NH+](C)CC2 ZINC000067650818 205380611 /nfs/dbraw/zinc/38/06/11/205380611.db2.gz NXBLUQONEBNTDD-UHFFFAOYSA-N 1 0 356.445 2.226 50 0 FEAARO Cc1ccnc(NC(=O)CCC(=O)N2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000067673290 205381157 /nfs/dbraw/zinc/38/11/57/205381157.db2.gz MDVJZFBRXLKAKZ-UHFFFAOYSA-N 1 0 358.486 2.491 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)NCC[C@H]2CCC[N@@H+]2C)no1 ZINC000067692544 205383267 /nfs/dbraw/zinc/38/32/67/205383267.db2.gz FFAHOVRNRVVBEO-CQSZACIVSA-N 1 0 359.426 2.476 50 0 FEAARO CCc1cc(-c2cc(Cl)cc3c2O[C@H](C[NH3+])C3)nc(N2CCOCC2)n1 ZINC000067726595 205387691 /nfs/dbraw/zinc/38/76/91/205387691.db2.gz NOKYGGOGUXEVIQ-HNNXBMFYSA-N 1 0 374.872 2.458 50 0 FEAARO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2C)OCCO3)C1 ZINC000067756900 205389023 /nfs/dbraw/zinc/38/90/23/205389023.db2.gz WMEWXVGVJQFGOM-CQSZACIVSA-N 1 0 358.442 2.051 50 0 FEAARO CCn1nc(C(C)C)cc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067772298 205390429 /nfs/dbraw/zinc/39/04/29/205390429.db2.gz LBNKSXOUPOCWNG-UHFFFAOYSA-N 1 0 370.501 2.103 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3ccoc3)C2=O)c1 ZINC000067842130 205396058 /nfs/dbraw/zinc/39/60/58/205396058.db2.gz RAKVXNLBLFHGRK-LJQANCHMSA-N 1 0 362.401 2.071 50 0 FEAARO CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)[C@H]1CC[N@H+](C)C1 ZINC000071551812 205431229 /nfs/dbraw/zinc/43/12/29/205431229.db2.gz VXVOQIQANGAGPF-AWEZNQCLSA-N 1 0 361.515 2.158 50 0 FEAARO CCOC(=O)N1CCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)CC1 ZINC000072143060 205478112 /nfs/dbraw/zinc/47/81/12/205478112.db2.gz NHMQXBSVPWKGJS-UHFFFAOYSA-N 1 0 359.470 2.143 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072161741 205490781 /nfs/dbraw/zinc/49/07/81/205490781.db2.gz CDOISHGLEKBLJJ-GOSISDBHSA-N 1 0 370.497 2.110 50 0 FEAARO CNc1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)ccn1 ZINC000072158691 205490303 /nfs/dbraw/zinc/49/03/03/205490303.db2.gz YCTRNWVQEQTVSI-IBGZPJMESA-N 1 0 350.466 2.439 50 0 FEAARO Cc1nc2cc([C@@H]3CC[NH2+]C3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000072370831 205519219 /nfs/dbraw/zinc/51/92/19/205519219.db2.gz GFBQKIMTDXKKQM-OAHLLOKOSA-N 1 0 355.486 2.414 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cccc(OC)c2OC)n1 ZINC000077136017 205583174 /nfs/dbraw/zinc/58/31/74/205583174.db2.gz DIQVSBFHXHFAKO-UHFFFAOYSA-N 1 0 359.430 2.076 50 0 FEAARO O=C(NCCc1ccccc1Cl)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077299327 205587701 /nfs/dbraw/zinc/58/77/01/205587701.db2.gz JPXKEXPGOCACOY-OAHLLOKOSA-N 1 0 361.877 2.436 50 0 FEAARO Cc1ccccc1C[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077354272 205591455 /nfs/dbraw/zinc/59/14/55/205591455.db2.gz RNIIZLAXXXQRKW-UHFFFAOYSA-N 1 0 369.513 2.335 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCCN(C(=O)N3CCCC3)C2)CC1 ZINC000082115032 205644194 /nfs/dbraw/zinc/64/41/94/205644194.db2.gz ZQDJZQLUIKLRJQ-QGZVFWFLSA-N 1 0 366.506 2.267 50 0 FEAARO CC(=O)c1cccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000091575315 205681032 /nfs/dbraw/zinc/68/10/32/205681032.db2.gz PVGINRVQAAKFOQ-WOJBJXKFSA-N 1 0 358.482 2.446 50 0 FEAARO Cc1c(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)ccn1C ZINC000091847087 205696944 /nfs/dbraw/zinc/69/69/44/205696944.db2.gz AXSUGSNMWJYWMZ-UHFFFAOYSA-N 1 0 374.529 2.130 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H](c2ccncc2)N2CCOCC2)CC1 ZINC000095362417 205732194 /nfs/dbraw/zinc/73/21/94/205732194.db2.gz VGMIOYHZRJHKCA-HXUWFJFHSA-N 1 0 374.529 2.082 50 0 FEAARO CCCCn1nc(C)cc1NC(=O)N1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000095499437 205769798 /nfs/dbraw/zinc/76/97/98/205769798.db2.gz FAMLWASSYWUQTO-GOSISDBHSA-N 1 0 351.495 2.302 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000237317916 206099572 /nfs/dbraw/zinc/09/95/72/206099572.db2.gz JFZNXWMRUOLJOE-SNVBAGLBSA-N 1 0 365.268 2.208 50 0 FEAARO C[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)[C@H]1C[NH3+] ZINC000246557339 206126414 /nfs/dbraw/zinc/12/64/14/206126414.db2.gz JZNSPDVEFQMKHJ-SCZZXKLOSA-N 1 0 353.307 2.259 50 0 FEAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)CSc2ccccc2)C1 ZINC000004029823 206165725 /nfs/dbraw/zinc/16/57/25/206165725.db2.gz AWTOWIPJXQJRGL-GVDBMIGSSA-N 1 0 356.491 2.421 50 0 biogenic FEAARO Cn1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000006335620 206201208 /nfs/dbraw/zinc/20/12/08/206201208.db2.gz JSMXUJMMMNOHRI-MRXNPFEDSA-N 1 0 366.421 2.093 50 0 FEAARO CCOc1ccccc1CN1CC[N@H+](CCCn2cccn2)C[C@H]1CCO ZINC000104409089 206238585 /nfs/dbraw/zinc/23/85/85/206238585.db2.gz SCLQKAYITKVKPE-HXUWFJFHSA-N 1 0 372.513 2.241 50 0 FEAARO CN(C)C(=O)N1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000193764063 206328796 /nfs/dbraw/zinc/32/87/96/206328796.db2.gz RPNWPVMAXVNPBT-GOSISDBHSA-N 1 0 372.513 2.018 50 0 FEAARO C[C@H](c1ccncn1)N(C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000215366920 206345497 /nfs/dbraw/zinc/34/54/97/206345497.db2.gz FBMWCDKIFXWAFW-GOSISDBHSA-N 1 0 369.513 2.296 50 0 FEAARO c1cn(CCOc2ccc(C[NH+]3CCC(N4CCOCC4)CC3)cc2)cn1 ZINC000215921985 206352675 /nfs/dbraw/zinc/35/26/75/206352675.db2.gz PSDUQASGGCKKQZ-UHFFFAOYSA-N 1 0 370.497 2.259 50 0 FEAARO CC(C)[C@@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 ZINC000058074157 206390337 /nfs/dbraw/zinc/39/03/37/206390337.db2.gz UQUXIPRBCHEZCW-QGZVFWFLSA-N 1 0 372.469 2.259 50 0 FEAARO Cn1c(CN2CCC(OCc3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223162245 206433101 /nfs/dbraw/zinc/43/31/01/206433101.db2.gz ZVHYOHWHIRKCRH-QAQDUYKDSA-N 1 0 355.486 2.201 50 0 FEAARO C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000222639831 206420877 /nfs/dbraw/zinc/42/08/77/206420877.db2.gz RNOVJYQZSQWLTL-CABCVRRESA-N 1 0 360.376 2.171 50 0 FEAARO COc1ccc(CN2CC[C@@H]([NH+](C)C)[C@@H](CO)C2)cc1Br ZINC000075876318 542211543 /nfs/dbraw/zinc/21/15/43/542211543.db2.gz GPHGHRKTAIXOQY-UKRRQHHQSA-N 1 0 357.292 2.202 50 0 FEAARO CCn1c(Cn2c3ccc(C)cc3nc2COC)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244795767 206557563 /nfs/dbraw/zinc/55/75/63/206557563.db2.gz RNBMWNYTDGYXQO-HDJSIYSDSA-N 1 0 354.458 2.356 50 0 FEAARO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2)n1 ZINC000252528018 206579581 /nfs/dbraw/zinc/57/95/81/206579581.db2.gz DYHLXPFFIHQRJG-DLBZAZTESA-N 1 0 371.485 2.408 50 0 FEAARO O=C(CCC[NH+]1CCCC1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000252571090 206580792 /nfs/dbraw/zinc/58/07/92/206580792.db2.gz XQJFRHPJWLFHQY-UEXGIBASSA-N 1 0 358.482 2.426 50 0 FEAARO O=c1ccc(-c2ccccc2)nn1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077299296 542363448 /nfs/dbraw/zinc/36/34/48/542363448.db2.gz QFYGXPYOIYPHJB-GOSISDBHSA-N 1 0 369.465 2.228 50 0 FEAARO CCCSc1ncc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077375357 542374910 /nfs/dbraw/zinc/37/49/10/542374910.db2.gz QKJQFCIZRXDMBP-SFHVURJKSA-N 1 0 350.532 2.401 50 0 FEAARO CCN1CC2(CC[NH+](CCOc3c(OC)cccc3OC)CC2)OC1=O ZINC000077426404 542380827 /nfs/dbraw/zinc/38/08/27/542380827.db2.gz CQHYVBPQNGSPAD-UHFFFAOYSA-N 1 0 364.442 2.389 50 0 FEAARO O=C([C@H](O)c1ccc2ccccc2c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000077436810 542381820 /nfs/dbraw/zinc/38/18/20/542381820.db2.gz QBOKUCDVXHIZQZ-OAQYLSRUSA-N 1 0 368.477 2.444 50 0 FEAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cn(CC[NH3+])nn1 ZINC000077517589 542391527 /nfs/dbraw/zinc/39/15/27/542391527.db2.gz JTCVHMCKUPSENE-UHFFFAOYSA-N 1 0 351.410 2.301 50 0 FEAARO CN(C)Cc1nnc(C2CC[NH+](Cc3ccc4nsnc4c3)CC2)n1C ZINC000077554960 542397296 /nfs/dbraw/zinc/39/72/96/542397296.db2.gz NMAIDWNAYTYTIW-UHFFFAOYSA-N 1 0 371.514 2.261 50 0 FEAARO CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000058419426 221118517 /nfs/dbraw/zinc/11/85/17/221118517.db2.gz FDYFKGZJUUYIPM-HNNXBMFYSA-N 1 0 365.499 2.024 50 0 FEAARO C[C@H](C(=O)N1CCCCC1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082099640 542683282 /nfs/dbraw/zinc/68/32/82/542683282.db2.gz OHARFWJTBFOLJF-OAHLLOKOSA-N 1 0 356.470 2.286 50 0 FEAARO C[C@H]1CCCN(C(=O)CCN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)C1 ZINC000082170502 132197585 /nfs/dbraw/zinc/19/75/85/132197585.db2.gz ZADHVHOVOJVOOZ-INIZCTEOSA-N 1 0 370.497 2.216 50 0 FEAARO CNc1nc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc(C)[nH+]1 ZINC000091871694 132204150 /nfs/dbraw/zinc/20/41/50/132204150.db2.gz YWOAZNRNDQCMKU-MRXNPFEDSA-N 1 0 373.501 2.215 50 0 FEAARO CCc1cnc(C)nc1N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000092045488 132205674 /nfs/dbraw/zinc/20/56/74/132205674.db2.gz QMPHVNNUSHOLPE-GOSISDBHSA-N 1 0 371.529 2.261 50 0 FEAARO Cc1cnc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)nc1N(C)C ZINC000095384524 132209827 /nfs/dbraw/zinc/20/98/27/132209827.db2.gz ZEVUTVDZUFTCQF-UHFFFAOYSA-N 1 0 371.533 2.383 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN(c2ncccn2)C1 ZINC000170613771 132264909 /nfs/dbraw/zinc/26/49/09/132264909.db2.gz TZKYNUNTCGQBNH-KSZLIROESA-N 1 0 357.502 2.074 50 0 FEAARO Cc1cccc(N2CCN(c3cc(C4CC(O)C4)[nH+]c(N)n3)CC2)c1C ZINC000222341884 132277285 /nfs/dbraw/zinc/27/72/85/132277285.db2.gz AMXJXNAJQRYEOS-UHFFFAOYSA-N 1 0 353.470 2.241 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN(c2ncccn2)C1 ZINC000238937183 132289282 /nfs/dbraw/zinc/28/92/82/132289282.db2.gz TZKYNUNTCGQBNH-BZSNNMDCSA-N 1 0 357.502 2.074 50 0 FEAARO CC(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000089775636 542770723 /nfs/dbraw/zinc/77/07/23/542770723.db2.gz VPNUTAMPTFSJIH-GFCCVEGCSA-N 1 0 352.866 2.299 50 0 FEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCNC(=O)c1ccc(F)cc1)C2 ZINC000091350760 542805737 /nfs/dbraw/zinc/80/57/37/542805737.db2.gz DELOSAXVYYZLJX-CRAIPNDOSA-N 1 0 361.461 2.278 50 0 FEAARO CN1CC[C@]2(CN(Cc3ccc(-n4ccnc4)cc3)CC[N@@H+]2C)CCC1=O ZINC000091390836 542805916 /nfs/dbraw/zinc/80/59/16/542805916.db2.gz DOMGHBFBUNPNNX-NRFANRHFSA-N 1 0 367.497 2.001 50 0 FEAARO CCN1CC2(CCC1=O)CC[NH+]([C@@H](C)C(=O)NCc1ccccc1)CC2 ZINC000091505287 542810738 /nfs/dbraw/zinc/81/07/38/542810738.db2.gz DWSCEVNWVQDPCV-KRWDZBQOSA-N 1 0 357.498 2.416 50 0 FEAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000091537045 542811383 /nfs/dbraw/zinc/81/13/83/542811383.db2.gz PLEJFIPFHPXKSB-UHFFFAOYSA-N 1 0 365.481 2.481 50 0 FEAARO CCN1CC[C@]2(CN(C(=O)NCC3CCCCC3)CC[N@@H+]2C)CCC1=O ZINC000091574573 542813334 /nfs/dbraw/zinc/81/33/34/542813334.db2.gz HZTSJCJZOWBTQM-FQEVSTJZSA-N 1 0 364.534 2.295 50 0 FEAARO O=C(CSc1ccncc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091594852 542815051 /nfs/dbraw/zinc/81/50/51/542815051.db2.gz VAJHRGPZGFZTKL-IAGOWNOFSA-N 1 0 363.527 2.117 50 0 FEAARO O=C(c1ccc2nccnc2c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091656332 542818059 /nfs/dbraw/zinc/81/80/59/542818059.db2.gz PWTREKMBBAHZDI-MAUKXSAKSA-N 1 0 366.465 2.345 50 0 FEAARO CN1CCC([NH+]2CCC(c3nnc(Cn4cccn4)n3C3CC3)CC2)CC1 ZINC000091770299 542825309 /nfs/dbraw/zinc/82/53/09/542825309.db2.gz MKHPJNMRPYHVCF-UHFFFAOYSA-N 1 0 369.517 2.131 50 0 FEAARO CCc1ccccc1OCCN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091770228 542825442 /nfs/dbraw/zinc/82/54/42/542825442.db2.gz PCZYETNIJDSVFO-NRFANRHFSA-N 1 0 359.514 2.256 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccn(CC)n1)CC2 ZINC000091848220 542828542 /nfs/dbraw/zinc/82/85/42/542828542.db2.gz NAYAKWBLQZTBAM-UHFFFAOYSA-N 1 0 370.501 2.416 50 0 FEAARO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2ncnn21 ZINC000091848995 542828584 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NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 ZINC000091988232 542835626 /nfs/dbraw/zinc/83/56/26/542835626.db2.gz IWWQBXCWMATZGI-LJQANCHMSA-N 1 0 351.450 2.167 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(SC)cc2)C1 ZINC000092004593 542836680 /nfs/dbraw/zinc/83/66/80/542836680.db2.gz GVYAAZCTUBPXBN-CVEARBPZSA-N 1 0 366.527 2.057 50 0 FEAARO COCCn1cncc1C[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092045757 542841460 /nfs/dbraw/zinc/84/14/60/542841460.db2.gz QQZFXJPSWCFICA-HXUWFJFHSA-N 1 0 360.502 2.144 50 0 FEAARO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N2CCOCC2)o1 ZINC000095368465 542962126 /nfs/dbraw/zinc/96/21/26/542962126.db2.gz UFDDJBPJDVRPLC-SFHVURJKSA-N 1 0 363.502 2.198 50 0 FEAARO c1coc(-c2nc3c(c(N4CCOCC4)n2)CC[N@H+](CC2CC2)CC3)c1 ZINC000072428247 136146660 /nfs/dbraw/zinc/14/66/60/136146660.db2.gz PHCOYMKKGQTRQF-UHFFFAOYSA-N 1 0 354.454 2.384 50 0 FEAARO Cc1nc(CN2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000095374613 542963898 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PUFOHZGZRXXEPU-UHFFFAOYSA-N 1 0 371.485 2.284 50 0 FEAARO C[N@@H+]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@]12CCNC(=O)CC2 ZINC000095363838 542960526 /nfs/dbraw/zinc/96/05/26/542960526.db2.gz UQDOJAFQYXLHKM-KRWDZBQOSA-N 1 0 371.815 2.045 50 0 FEAARO Cc1cccc([C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)N(C)C)c1 ZINC000095364207 542960561 /nfs/dbraw/zinc/96/05/61/542960561.db2.gz JIUIMNLXCVQEHN-FQEVSTJZSA-N 1 0 359.514 2.169 50 0 FEAARO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095365280 542960920 /nfs/dbraw/zinc/96/09/20/542960920.db2.gz NPWCFSFCFIPSCY-GOEBONIOSA-N 1 0 358.392 2.491 50 0 FEAARO O=C(NCCCn1nnc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095382443 542965304 /nfs/dbraw/zinc/96/53/04/542965304.db2.gz VFKKSITWSMAESN-MRXNPFEDSA-N 1 0 367.453 2.443 50 0 FEAARO CN1CC[NH+](C[C@@H]2CN(Cc3cccc(Cl)c3Cl)C[C@@H]2CO)CC1 ZINC000095376598 542964459 /nfs/dbraw/zinc/96/44/59/542964459.db2.gz IQFSYXYZYSXGBR-HZPDHXFCSA-N 1 0 372.340 2.281 50 0 FEAARO CN(CCCCN1CCOCC1)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095389450 542968409 /nfs/dbraw/zinc/96/84/09/542968409.db2.gz QOZHWJLYVZMKEK-HXUWFJFHSA-N 1 0 359.514 2.338 50 0 FEAARO O[C@H]1CN(Cc2noc(C3CCCC3)n2)CC[N@H+](Cc2ccccc2)C1 ZINC000095503087 542975165 /nfs/dbraw/zinc/97/51/65/542975165.db2.gz GOQAWGWMKKJNFD-GOSISDBHSA-N 1 0 356.470 2.406 50 0 FEAARO COCCn1cc2c(n1)[C@@H](NC(=O)C1CC[NH+](CC(C)C)CC1)CCC2 ZINC000096002925 542986908 /nfs/dbraw/zinc/98/69/08/542986908.db2.gz DAJKBCRIOBORSJ-SFHVURJKSA-N 1 0 362.518 2.391 50 0 FEAARO Cc1cccc(OCC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)c1C ZINC000095519173 542978932 /nfs/dbraw/zinc/97/89/32/542978932.db2.gz DZTOHPXUPNDEGF-HXUWFJFHSA-N 1 0 368.477 2.388 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000095526667 542981140 /nfs/dbraw/zinc/98/11/40/542981140.db2.gz SMTWMOYHBBQTCO-KRWDZBQOSA-N 1 0 356.470 2.099 50 0 FEAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cccc4nonc43)C2)N1Cc1cscn1 ZINC000095530138 542982037 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2.182 50 0 FEAARO Cc1[nH+]c(CN2CCN(Cc3ccccc3CO)CC2)c2ccccn12 ZINC000097155780 543006248 /nfs/dbraw/zinc/00/62/48/543006248.db2.gz OESNODWWFWVEKN-UHFFFAOYSA-N 1 0 350.466 2.453 50 0 FEAARO Cc1cc(C)n(CC2(CNC(=O)[C@@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)n1 ZINC000097514985 543013110 /nfs/dbraw/zinc/01/31/10/543013110.db2.gz JTMDQORXECGCSB-GOSISDBHSA-N 1 0 374.529 2.287 50 0 FEAARO CC(C)=CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnn1C)CC2 ZINC000097674401 543014899 /nfs/dbraw/zinc/01/48/99/543014899.db2.gz RHDBQWBRLCOXDF-UHFFFAOYSA-N 1 0 368.485 2.099 50 0 FEAARO Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000097744734 543015776 /nfs/dbraw/zinc/01/57/76/543015776.db2.gz AFCWLRRRQNQMFS-DOTOQJQBSA-N 1 0 365.905 2.299 50 0 FEAARO CN1C[C@@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCC1=O ZINC000097730265 543016062 /nfs/dbraw/zinc/01/60/62/543016062.db2.gz AJZOVKHNAJXQDE-IBGZPJMESA-N 1 0 357.498 2.022 50 0 FEAARO CN(C(=O)c1cc(=O)nc2sccn21)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097425721 543010908 /nfs/dbraw/zinc/01/09/08/543010908.db2.gz QXEMZAZBXRRUDO-OAHLLOKOSA-N 1 0 356.451 2.131 50 0 FEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000100374855 543025070 /nfs/dbraw/zinc/02/50/70/543025070.db2.gz DCAHCXBEGOWHAX-MRXNPFEDSA-N 1 0 354.406 2.168 50 0 FEAARO COc1cccc(C[N@H+]2C[C@H]3[C@H](C(=O)NCCc4ccncc4)[C@H]3C2)c1 ZINC000101850390 543046557 /nfs/dbraw/zinc/04/65/57/543046557.db2.gz SLMVGTBGMAYXLK-PMOLBWCYSA-N 1 0 351.450 2.127 50 0 FEAARO C[C@H](C(=O)NC1CCCCC1)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131004 543205552 /nfs/dbraw/zinc/20/55/52/543205552.db2.gz VMDFICQAILTBRX-QGZVFWFLSA-N 1 0 361.534 2.117 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000109401534 543324401 /nfs/dbraw/zinc/32/44/01/543324401.db2.gz IXPNFGJNIUCSRN-AWEZNQCLSA-N 1 0 363.849 2.278 50 0 FEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000125337154 543875913 /nfs/dbraw/zinc/87/59/13/543875913.db2.gz YFXLESXHLFNJDA-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)CCc3ccnn3C)O2)CC1 ZINC000426509516 263613485 /nfs/dbraw/zinc/61/34/85/263613485.db2.gz RGIHIKDOGOWWSZ-IBGZPJMESA-N 1 0 374.529 2.449 50 0 FEAARO C[C@@H](CN(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1nccs1 ZINC000182716269 327786237 /nfs/dbraw/zinc/78/62/37/327786237.db2.gz JADRHXTYHNCITC-GJZGRUSLSA-N 1 0 366.531 2.389 50 0 FEAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000187613006 328036069 /nfs/dbraw/zinc/03/60/69/328036069.db2.gz WCKADLGTBQNGQH-AWEZNQCLSA-N 1 0 369.893 2.205 50 0 FEAARO Cc1nc2c(s1)[C@H]([NH2+]CCCN1CCN(c3ncccn3)CC1)CCC2 ZINC000133703604 326613461 /nfs/dbraw/zinc/61/34/61/326613461.db2.gz MSGMNPPZRRDNCX-MRXNPFEDSA-N 1 0 372.542 2.421 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N2CCN(c3ccccc3OC)C(=O)C2)CC1 ZINC000082137803 519842128 /nfs/dbraw/zinc/84/21/28/519842128.db2.gz YPZNMEHGLLZUEX-UHFFFAOYSA-N 1 0 373.497 2.383 50 0 FEAARO CCNc1ncc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cn1 ZINC000091574341 520363603 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COC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082114687 523428153 /nfs/dbraw/zinc/42/81/53/523428153.db2.gz GOMLMQVWZHCUNI-GOSISDBHSA-N 1 0 373.497 2.288 50 0 FEAARO CCc1c(C(=O)N2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000158598978 523685026 /nfs/dbraw/zinc/68/50/26/523685026.db2.gz BJNYKLDWLCIQHI-CQSZACIVSA-N 1 0 357.458 2.180 50 0 FEAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc3c(c2)OCO3)CC1 ZINC000020614369 523917725 /nfs/dbraw/zinc/91/77/25/523917725.db2.gz YQZKXCLJMMLWAZ-SFHVURJKSA-N 1 0 367.449 2.134 50 0 FEAARO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CC[C@H](C[NH3+])C3)CCCC2)c1 ZINC000178535884 524184711 /nfs/dbraw/zinc/18/47/11/524184711.db2.gz LFYPVHOYDISUKY-MRXNPFEDSA-N 1 0 364.511 2.197 50 0 FEAARO Cc1cccc(CC(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000091621414 524337498 /nfs/dbraw/zinc/33/74/98/524337498.db2.gz XEAJMSRLMILLCH-UHFFFAOYSA-N 1 0 371.525 2.330 50 0 FEAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)NCc2cccs2)CC1 ZINC000085468323 524892380 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FEAARO C[C@H](c1ccon1)N(C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000216507173 526159840 /nfs/dbraw/zinc/15/98/40/526159840.db2.gz OUZJROYJCZIFLX-QGZVFWFLSA-N 1 0 358.486 2.494 50 0 FEAARO O=C(NCCCSc1ccccc1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000216487532 526268964 /nfs/dbraw/zinc/26/89/64/526268964.db2.gz BOQRCHLJYHGITG-OAHLLOKOSA-N 1 0 359.499 2.190 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1csc(Cc2ccccc2)n1 ZINC000082087612 526309386 /nfs/dbraw/zinc/30/93/86/526309386.db2.gz NXPAXAKYOBNWPT-INIZCTEOSA-N 1 0 359.495 2.311 50 0 FEAARO [NH3+]CC(=O)N1CCC[C@@H]1c1ccc(C(=O)NCCOc2ccccc2)s1 ZINC000019852843 527156145 /nfs/dbraw/zinc/15/61/45/527156145.db2.gz BKSHHYUKXLRGOG-OAHLLOKOSA-N 1 0 373.478 2.179 50 0 FEAARO O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091635564 527237744 /nfs/dbraw/zinc/23/77/44/527237744.db2.gz BACVRKMIMYDXDO-HZPDHXFCSA-N 1 0 366.889 2.141 50 0 FEAARO Cc1nccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091321589 527392340 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C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2ncccc2c1 ZINC000194567383 548499643 /nfs/dbraw/zinc/49/96/43/548499643.db2.gz HFXYESUMRSIPMF-OAHLLOKOSA-N 1 0 356.470 2.221 50 0 FEAARO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCCN(c2nccs2)CC1 ZINC000195117206 548579561 /nfs/dbraw/zinc/57/95/61/548579561.db2.gz HICVMEBBTMSTQI-UHFFFAOYSA-N 1 0 363.531 2.239 50 0 FEAARO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCCCn3ccnc3)cc2)C1 ZINC000215152432 548669983 /nfs/dbraw/zinc/66/99/83/548669983.db2.gz FFURFFGPYDOYMY-SFHVURJKSA-N 1 0 356.470 2.310 50 0 FEAARO Nc1nc(NCCc2nc3cc(Cl)ccc3[nH]2)cc(C2CC([NH3+])C2)n1 ZINC000220383599 548699951 /nfs/dbraw/zinc/69/99/51/548699951.db2.gz PUEPJIAKVXVWJG-UHFFFAOYSA-N 1 0 357.849 2.448 50 0 FEAARO CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221739599 548706051 /nfs/dbraw/zinc/70/60/51/548706051.db2.gz UNXAYSLWNXFQQD-STQMWFEESA-N 1 0 359.396 2.214 50 0 FEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1cccc(-c2ncc[nH]2)c1 ZINC000222683693 548710929 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2.436 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000230203654 548759074 /nfs/dbraw/zinc/75/90/74/548759074.db2.gz QCVZJYLFZYHJSR-LNLFQRSKSA-N 1 0 355.482 2.420 50 0 FEAARO Cn1cc([C@@H]([NH2+]C2CCN(C(=O)c3cccs3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000240228120 548883968 /nfs/dbraw/zinc/88/39/68/548883968.db2.gz KGFWNMREGQVQRL-XCRHUMRWSA-N 1 0 374.510 2.188 50 0 FEAARO COCC[NH+]1CCC(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)N3C2=O)CC1 ZINC000242389566 548885623 /nfs/dbraw/zinc/88/56/23/548885623.db2.gz ZYIYPQDFMVHIQI-ROUUACIJSA-N 1 0 357.454 2.265 50 0 FEAARO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000243956947 548889495 /nfs/dbraw/zinc/88/94/95/548889495.db2.gz CERBHOGEINRSBP-ZDUSSCGKSA-N 1 0 364.877 2.396 50 0 FEAARO O=C(COc1ccccc1O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000244701000 548892617 /nfs/dbraw/zinc/89/26/17/548892617.db2.gz JYDINKHYNFOBGY-UHFFFAOYSA-N 1 0 366.461 2.473 50 0 FEAARO Cc1cccc([C@@H]2CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)c1 ZINC000244734982 548893909 /nfs/dbraw/zinc/89/39/09/548893909.db2.gz NQXQJVYJFBQGAW-LJQANCHMSA-N 1 0 357.498 2.288 50 0 FEAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CC(Oc3ccccc3C)C2)n1 ZINC000244778597 548894606 /nfs/dbraw/zinc/89/46/06/548894606.db2.gz PTKIORXVAQQMGE-GASCZTMLSA-N 1 0 354.454 2.404 50 0 FEAARO O=C(CC[NH+]1CCCCC1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244828521 548896387 /nfs/dbraw/zinc/89/63/87/548896387.db2.gz TXSXQJBRYFBVOS-LVCYWYKZSA-N 1 0 358.482 2.426 50 0 FEAARO Cc1cc(N2CCCN(Cc3cc(=O)n4ccsc4n3)CC2)cc[nH+]1 ZINC000252481550 549667533 /nfs/dbraw/zinc/66/75/33/549667533.db2.gz CNYHZPJOAWQLDB-UHFFFAOYSA-N 1 0 355.467 2.172 50 0 FEAARO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000284673507 551604472 /nfs/dbraw/zinc/60/44/72/551604472.db2.gz WTYDWERULYVKAY-DNVCBOLYSA-N 1 0 354.454 2.243 50 0 FEAARO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000286979015 551947437 /nfs/dbraw/zinc/94/74/37/551947437.db2.gz FPIWYKJYXARVBS-YPMHNXCESA-N 1 0 358.364 2.427 50 0 FEAARO O=S(=O)(CCC1CCOCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000292516621 552734427 /nfs/dbraw/zinc/73/44/27/552734427.db2.gz UOZOVTSSZPUYHP-UHFFFAOYSA-N 1 0 367.515 2.034 50 0 FEAARO [NH3+][C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C2Cc3ccccc3C2)C1 ZINC000299765524 553612590 /nfs/dbraw/zinc/61/25/90/553612590.db2.gz NWJSJHHVGAPXMB-RXVVDRJESA-N 1 0 367.468 2.053 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2Cc3ccccc3[C@H](O)C2)c1 ZINC000299773201 553613119 /nfs/dbraw/zinc/61/31/19/553613119.db2.gz ABHGDOGGYNRMLY-GOSISDBHSA-N 1 0 356.422 2.112 50 0 FEAARO O=C(c1cccc(-c2cnccn2)c1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000299776227 553613895 /nfs/dbraw/zinc/61/38/95/553613895.db2.gz LTNXOFNDFPSQOR-IBGZPJMESA-N 1 0 366.465 2.062 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000299791606 553615181 /nfs/dbraw/zinc/61/51/81/553615181.db2.gz HBNFXYPWZPEEEA-OAHLLOKOSA-N 1 0 362.449 2.250 50 0 FEAARO O=C(C1CCC1)N1CCn2nc(C[NH2+]C3Cc4ccccc4C3)cc2C1 ZINC000299797407 553615848 /nfs/dbraw/zinc/61/58/48/553615848.db2.gz NPQNAEBEMYOSAP-UHFFFAOYSA-N 1 0 350.466 2.282 50 0 FEAARO O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299801080 553616732 /nfs/dbraw/zinc/61/67/32/553616732.db2.gz VMYDKLOBTKPVSV-BBWFWOEESA-N 1 0 351.454 2.066 50 0 FEAARO CC1(C)CN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@H](C(F)(F)F)O1 ZINC000333311461 554601343 /nfs/dbraw/zinc/60/13/43/554601343.db2.gz LRKCFNPCDSIOEZ-SMDDNHRTSA-N 1 0 372.391 2.471 50 0 FEAARO Cc1nc(CCN(C)C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000426488539 559735480 /nfs/dbraw/zinc/73/54/80/559735480.db2.gz VARZPDPJUULWKD-QGZVFWFLSA-N 1 0 357.458 2.051 50 0 FEAARO Cn1nccc1CCC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426491080 559735653 /nfs/dbraw/zinc/73/56/53/559735653.db2.gz RCKHPNJLGVWDQM-UHFFFAOYSA-N 1 0 352.482 2.054 50 0 FEAARO Cc1c(Cl)c(C(=O)NC2CC[NH+](C3CCSCC3)CC2)nn1C ZINC000426508156 559736242 /nfs/dbraw/zinc/73/62/42/559736242.db2.gz XBBCLLCIPOOFCL-UHFFFAOYSA-N 1 0 356.923 2.472 50 0 FEAARO CC(C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000426523277 559736775 /nfs/dbraw/zinc/73/67/75/559736775.db2.gz XXXAPSBBFGIAQO-QFIPXVFZSA-N 1 0 371.525 2.410 50 0 FEAARO O=C(NCCCCc1ccccc1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000426531536 559736994 /nfs/dbraw/zinc/73/69/94/559736994.db2.gz FLODQFSVZCUAQH-NRFANRHFSA-N 1 0 370.541 2.431 50 0 FEAARO CO[C@]12CCN(c3cc(C)[nH+]c(N)n3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426537446 559737249 /nfs/dbraw/zinc/73/72/49/559737249.db2.gz HKUZMRTVYKFUIC-ZRGWGRIASA-N 1 0 355.442 2.358 50 0 FEAARO CCN(Cc1nc(COC)no1)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426555450 559737744 /nfs/dbraw/zinc/73/77/44/559737744.db2.gz IAWAEGVUWVJZRV-LSDHHAIUSA-N 1 0 365.478 2.012 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000426674237 559740039 /nfs/dbraw/zinc/74/00/39/559740039.db2.gz OLUJETZGBXAVOW-INIZCTEOSA-N 1 0 361.515 2.088 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCc2ccc3nonc3c2)CC1 ZINC000426697327 559740396 /nfs/dbraw/zinc/74/03/96/559740396.db2.gz LUSNZUPJVHQBGI-UHFFFAOYSA-N 1 0 366.425 2.348 50 0 FEAARO COc1cc2c(cc1C[N@@H+]1CC[C@]3(OC)CC[C@H](O)C[C@H]13)OCCCO2 ZINC000426707368 559740752 /nfs/dbraw/zinc/74/07/52/559740752.db2.gz GDMVNGCVLVZHNC-RYGJVYDSSA-N 1 0 363.454 2.361 50 0 FEAARO CC(C)[C@@H]1C=CCN1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000534588208 562537619 /nfs/dbraw/zinc/53/76/19/562537619.db2.gz MIBIIVDKHXKDLH-FQEVSTJZSA-N 1 0 356.514 2.410 50 0 FEAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)C1 ZINC000108095148 570509212 /nfs/dbraw/zinc/50/92/12/570509212.db2.gz MEFCXFLNGHCPLT-RYFAJOAYSA-N 1 0 373.541 2.149 50 0 FEAARO CCC[NH+]1CCC(CNC(=O)N2CCCN(Cc3cccnc3)CC2)CC1 ZINC000426477496 570606579 /nfs/dbraw/zinc/60/65/79/570606579.db2.gz BWSSJERBEIKJTQ-UHFFFAOYSA-N 1 0 373.545 2.421 50 0 FEAARO CC[NH+](CC)CC1CCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000048343308 570948838 /nfs/dbraw/zinc/94/88/38/570948838.db2.gz OXCCWOCNHQVATL-LJQANCHMSA-N 1 0 370.501 2.037 50 0 FEAARO Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nc(N)n1 ZINC000426414667 571138192 /nfs/dbraw/zinc/13/81/92/571138192.db2.gz PRJYKFARLLMUEL-IBGZPJMESA-N 1 0 356.449 2.273 50 0 FEAARO Cc1ccnc2nc(C(=O)NC3CC[NH+]([C@@H](C)c4ccccc4)CC3)nn21 ZINC000116068092 571164260 /nfs/dbraw/zinc/16/42/60/571164260.db2.gz IJWOIOVAWJBLNF-HNNXBMFYSA-N 1 0 364.453 2.388 50 0 FEAARO Cc1nccn1CCNC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426380751 571217171 /nfs/dbraw/zinc/21/71/71/571217171.db2.gz VQSUYYWKKOSVJC-HXUWFJFHSA-N 1 0 367.497 2.076 50 0 FEAARO COc1ccc(F)cc1-c1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000426428811 571224312 /nfs/dbraw/zinc/22/43/12/571224312.db2.gz CYQCHZHJGVNRQL-SFHVURJKSA-N 1 0 371.456 2.477 50 0 FEAARO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(OC)nc(OC)n3)cc2)C1 ZINC000426470670 571226837 /nfs/dbraw/zinc/22/68/37/571226837.db2.gz OWPUOUILNKQLPX-CQSZACIVSA-N 1 0 370.453 2.232 50 0 FEAARO O=C(NCCN1CC[NH2+]CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000416851326 571267780 /nfs/dbraw/zinc/26/77/80/571267780.db2.gz QTKPVSRJRUPWIK-FQEVSTJZSA-N 1 0 352.482 2.175 50 0 FEAARO O=C(c1ccc(N2CCCC2)cc1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000230536251 571309543 /nfs/dbraw/zinc/30/95/43/571309543.db2.gz QLHGPLQUQMILDW-HXUWFJFHSA-N 1 0 357.498 2.206 50 0 FEAARO CCc1nnc(CN(C)C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)o1 ZINC000584887804 571314086 /nfs/dbraw/zinc/31/40/86/571314086.db2.gz FTIHFCYOAPPXEE-INIZCTEOSA-N 1 0 372.473 2.396 50 0 FEAARO O=C(c1cnc(-c2ccccn2)nc1)N1CC[NH+](CC2CCCC2)CC1 ZINC000584891297 571314537 /nfs/dbraw/zinc/31/45/37/571314537.db2.gz IBJMLWQAWQUJBJ-UHFFFAOYSA-N 1 0 351.454 2.487 50 0 FEAARO CC1CC[NH+](CCCNC(=O)N(C)Cc2nc(-c3ccncc3)no2)CC1 ZINC000584896834 571315542 /nfs/dbraw/zinc/31/55/42/571315542.db2.gz ABRZSBJNHXMPCG-UHFFFAOYSA-N 1 0 372.473 2.395 50 0 FEAARO CC(C)N1C(=O)N(C)C2(CC[NH+](Cc3ccc4nsnc4c3)CC2)C1=O ZINC000014743647 571323057 /nfs/dbraw/zinc/32/30/57/571323057.db2.gz WDXUOXDLLLDRSQ-UHFFFAOYSA-N 1 0 373.482 2.328 50 0 FEAARO COc1ccc(OCC2CC[NH+](CCCS(=O)(=O)N(C)C)CC2)cc1 ZINC000670439867 571348471 /nfs/dbraw/zinc/34/84/71/571348471.db2.gz QKNPEAMZLVTPSG-UHFFFAOYSA-N 1 0 370.515 2.068 50 0 FEAARO O=C(Cn1[nH]c2ccccc2c1=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670444876 571350403 /nfs/dbraw/zinc/35/04/03/571350403.db2.gz NSTXTAWNWUOIGU-AWEZNQCLSA-N 1 0 370.478 2.172 50 0 FEAARO CCc1nc(S(=O)(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)c[nH]1 ZINC000670468137 571359018 /nfs/dbraw/zinc/35/90/18/571359018.db2.gz WBPXIPMXLXVASZ-HNNXBMFYSA-N 1 0 362.499 2.048 50 0 FEAARO C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000090183020 670711129 /nfs/dbraw/zinc/71/11/29/670711129.db2.gz ADPNVJDBQJEJMX-CYBMUJFWSA-N 1 0 352.456 2.119 50 0 FEAARO COc1cccc(C2([NH2+]CCN3CCCOCC3)CCOCC2)c1F ZINC000463199689 673300245 /nfs/dbraw/zinc/30/02/45/673300245.db2.gz QELWXFQCABEYSP-UHFFFAOYSA-N 1 0 352.450 2.152 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cc1 ZINC000659850204 678213850 /nfs/dbraw/zinc/21/38/50/678213850.db2.gz WRPJWFVVMFYRQP-INIZCTEOSA-N 1 0 360.483 2.073 50 0 FEAARO O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000008697003 539490190 /nfs/dbraw/zinc/49/01/90/539490190.db2.gz MPOUNSPASUVAQJ-MRXNPFEDSA-N 1 0 371.437 2.137 50 0 FEAARO CC[C@@H]1CN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC[N@@H+]1C ZINC000011821142 539535740 /nfs/dbraw/zinc/53/57/40/539535740.db2.gz GUQONESVNINPJL-LJQANCHMSA-N 1 0 367.497 2.370 50 0 FEAARO Cc1ccccc1Cn1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)nn1 ZINC000011842312 539536112 /nfs/dbraw/zinc/53/61/12/539536112.db2.gz NOTWKWZTAGPYPA-UHFFFAOYSA-N 1 0 353.470 2.335 50 0 FEAARO O=C(CSc1ncccn1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011843171 539536264 /nfs/dbraw/zinc/53/62/64/539536264.db2.gz HUAZFCRUFASGAU-KRWDZBQOSA-N 1 0 368.506 2.317 50 0 FEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(CCCc3ccccc3)nn2)C1 ZINC000012002985 539540752 /nfs/dbraw/zinc/54/07/52/539540752.db2.gz YPZGLONAEGOAMU-GOSISDBHSA-N 1 0 355.486 2.467 50 0 FEAARO CCN(Cc1nccn1C)C(=O)c1ccc(OC[C@]2(C)CCC[NH2+]C2)nc1 ZINC000012303046 539553328 /nfs/dbraw/zinc/55/33/28/539553328.db2.gz ORKFAPTZOVDBOU-HXUWFJFHSA-N 1 0 371.485 2.246 50 0 FEAARO O=C(c1ccc[n+]([O-])c1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012304200 539553363 /nfs/dbraw/zinc/55/33/63/539553363.db2.gz AWQHBKCYBCGTNM-IBGZPJMESA-N 1 0 366.465 2.089 50 0 FEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)[C@@H]2CCOC2)CC1 ZINC000012702854 539569717 /nfs/dbraw/zinc/56/97/17/539569717.db2.gz QCQPLTDYYRTYCL-LJQANCHMSA-N 1 0 360.498 2.445 50 0 FEAARO Cc1sc2ncn(CC(=O)NC3CC[NH+](C(C)C)CC3)c(=O)c2c1C ZINC000012811890 539575549 /nfs/dbraw/zinc/57/55/49/539575549.db2.gz QCBPOXCVWUMAEG-UHFFFAOYSA-N 1 0 362.499 2.064 50 0 FEAARO CCS(=O)(=O)N(C)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000013674188 539589211 /nfs/dbraw/zinc/58/92/11/539589211.db2.gz GFOCSWNIRLQBBW-UHFFFAOYSA-N 1 0 367.515 2.078 50 0 FEAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C3CCC3)CC2)C1=O ZINC000014530323 539604007 /nfs/dbraw/zinc/60/40/07/539604007.db2.gz SYPZJXYOPQITBA-UHFFFAOYSA-N 1 0 371.481 2.484 50 0 FEAARO C[N@H+](Cc1cccnc1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000015066733 539610203 /nfs/dbraw/zinc/61/02/03/539610203.db2.gz RFSZMYQHKXBLFF-HXUWFJFHSA-N 1 0 357.429 2.206 50 0 FEAARO Cc1nnc(CN(C)C(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)o1 ZINC000015075223 539612086 /nfs/dbraw/zinc/61/20/86/539612086.db2.gz OGNSLEWNZGKRJH-UHFFFAOYSA-N 1 0 354.454 2.360 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548350 539675937 /nfs/dbraw/zinc/67/59/37/539675937.db2.gz IXTCTVMNUPUTKN-ZKNHNOBHSA-N 1 0 373.428 2.002 50 0 FEAARO COC(=O)c1ccc(N2CCN(C(=O)CC[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000020618018 539676638 /nfs/dbraw/zinc/67/66/38/539676638.db2.gz QUQKJDRWPMKPNE-QGZVFWFLSA-N 1 0 373.497 2.244 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc2sccn2c1=O ZINC000021652632 539685610 /nfs/dbraw/zinc/68/56/10/539685610.db2.gz DQUCSOBVFKRUSN-UHFFFAOYSA-N 1 0 368.462 2.150 50 0 FEAARO COc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC000021795021 539687342 /nfs/dbraw/zinc/68/73/42/539687342.db2.gz WFLXIVZOMQTDKA-UHFFFAOYSA-N 1 0 370.457 2.214 50 0 FEAARO CCN(CC)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000020859569 539678090 /nfs/dbraw/zinc/67/80/90/539678090.db2.gz OXCKEQZOEHSGPM-MRXNPFEDSA-N 1 0 363.550 2.030 50 0 FEAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000023366876 539713379 /nfs/dbraw/zinc/71/33/79/539713379.db2.gz HGEXWLHZLSFGKZ-LJQANCHMSA-N 1 0 350.478 2.427 50 0 FEAARO C[N@@H+]1CCN(CCCNS(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000026873836 539795500 /nfs/dbraw/zinc/79/55/00/539795500.db2.gz ZHTWITVXWDJZMD-HXUWFJFHSA-N 1 0 373.522 2.344 50 0 FEAARO O=C(CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1)NC1CC1 ZINC000026904851 539796679 /nfs/dbraw/zinc/79/66/79/539796679.db2.gz MBGCMMIGTTZORK-UHFFFAOYSA-N 1 0 351.878 2.005 50 0 FEAARO O=S(=O)(NC1CC[NH+](C[C@H]2CCCCO2)CC1)c1ccc(F)cc1 ZINC000029933984 539870154 /nfs/dbraw/zinc/87/01/54/539870154.db2.gz DOIITZBSYPDJSS-MRXNPFEDSA-N 1 0 356.463 2.138 50 0 FEAARO C[C@H](NC(=O)c1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837620 539866267 /nfs/dbraw/zinc/86/62/67/539866267.db2.gz KZDBHQOAXVOYQS-KRWDZBQOSA-N 1 0 365.477 2.370 50 0 FEAARO CCOC(=O)c1ccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000032907367 539958723 /nfs/dbraw/zinc/95/87/23/539958723.db2.gz ARWADRQVNLDNGW-UHFFFAOYSA-N 1 0 362.474 2.011 50 0 FEAARO CCC[NH+]1CCN(C(=O)c2ccccc2-c2ocnc2C(=O)OC)CC1 ZINC000033131181 539969005 /nfs/dbraw/zinc/96/90/05/539969005.db2.gz MYVIGEHUBWZAMP-UHFFFAOYSA-N 1 0 357.410 2.296 50 0 FEAARO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 ZINC000034853956 539977705 /nfs/dbraw/zinc/97/77/05/539977705.db2.gz IHOXNOQMRZISPV-YJYMSZOUSA-N 1 0 368.433 2.497 50 0 investigational FEAARO C[NH+]1CCC(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000038572974 539999798 /nfs/dbraw/zinc/99/97/98/539999798.db2.gz FHCHMFCZOLTYIA-UHFFFAOYSA-N 1 0 352.378 2.205 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000061194375 541127557 /nfs/dbraw/zinc/12/75/57/541127557.db2.gz QDBCSVHQDFLMTQ-HIFRSBDPSA-N 1 0 357.462 2.213 50 0 FEAARO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1-n1cnnn1 ZINC000065361417 541235380 /nfs/dbraw/zinc/23/53/80/541235380.db2.gz OKBMEUVILANKMP-HNNXBMFYSA-N 1 0 357.462 2.213 50 0 FEAARO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000066839486 541378537 /nfs/dbraw/zinc/37/85/37/541378537.db2.gz JVYZYZWSIOEDIK-INIZCTEOSA-N 1 0 371.485 2.435 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCC3(CCO3)CC2)nc1 ZINC000067869361 541522476 /nfs/dbraw/zinc/52/24/76/541522476.db2.gz IPYQNLKSXSTGEP-GOSISDBHSA-N 1 0 372.513 2.445 50 0 FEAARO CCc1nccc(CN2CC[N@H+](C)C3(CCN(C(=O)C(C)(C)C)CC3)C2)n1 ZINC000067908136 541527204 /nfs/dbraw/zinc/52/72/04/541527204.db2.gz HPELYZOMNBRGPR-UHFFFAOYSA-N 1 0 373.545 2.194 50 0 FEAARO CCn1cc(C[NH2+]C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)cn1 ZINC000067981633 541535030 /nfs/dbraw/zinc/53/50/30/541535030.db2.gz MBJIUOUQJMWZLC-HXUWFJFHSA-N 1 0 362.518 2.317 50 0 FEAARO O=C(c1cc(-c2cccs2)n[nH]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069745734 541710292 /nfs/dbraw/zinc/71/02/92/541710292.db2.gz FAVWELVQCBMLBY-CQSZACIVSA-N 1 0 360.483 2.323 50 0 FEAARO Cc1c(C(=O)NC2CC2)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000070038373 541731394 /nfs/dbraw/zinc/73/13/94/541731394.db2.gz UYQIIFPWDDTJMZ-UHFFFAOYSA-N 1 0 351.454 2.236 50 0 FEAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(CCCF)CC2)C1 ZINC000071730316 541769324 /nfs/dbraw/zinc/76/93/24/541769324.db2.gz PICAIPIWUVUNRE-GOSISDBHSA-N 1 0 362.493 2.234 50 0 FEAARO CCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746684 541769733 /nfs/dbraw/zinc/76/97/33/541769733.db2.gz MGGKEKKZBADZFC-GOSISDBHSA-N 1 0 372.513 2.201 50 0 FEAARO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCC[C@@H](C)[NH+](C)C)C1 ZINC000071751596 541770368 /nfs/dbraw/zinc/77/03/68/541770368.db2.gz KMFMPIWDPDTQBB-CQSZACIVSA-N 1 0 368.485 2.195 50 0 FEAARO CCc1cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)[nH]n1 ZINC000071759743 541771189 /nfs/dbraw/zinc/77/11/89/541771189.db2.gz CXLTYLRWVLNTKS-QGZVFWFLSA-N 1 0 373.545 2.271 50 0 FEAARO CN(CC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1)C1CC[NH2+]CC1 ZINC000072124137 541784148 /nfs/dbraw/zinc/78/41/48/541784148.db2.gz ONEFOZNFNBSOJT-OAHLLOKOSA-N 1 0 366.456 2.052 50 0 FEAARO O=C(CN(Cc1cccnc1)[C@@H]1C[NH+]2CCC1CC2)NCc1ccccc1 ZINC000072141787 541786989 /nfs/dbraw/zinc/78/69/89/541786989.db2.gz PLLCDBGHFHESDQ-OAQYLSRUSA-N 1 0 364.493 2.294 50 0 FEAARO C[C@@H](O)CNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072146922 541787886 /nfs/dbraw/zinc/78/78/86/541787886.db2.gz AUXSHIGIWMTLJD-QGZVFWFLSA-N 1 0 352.478 2.196 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)CCn3cncn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072168257 541795007 /nfs/dbraw/zinc/79/50/07/541795007.db2.gz XUIOJPZCAUDCFG-CEWLAPEOSA-N 1 0 365.481 2.065 50 0 FEAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CCOCC1 ZINC000072310193 541798622 /nfs/dbraw/zinc/79/86/22/541798622.db2.gz RBPVJSZNIJRQLA-SFHVURJKSA-N 1 0 363.477 2.017 50 0 FEAARO OCCNc1nc(CC2CC2)nc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000072412218 541807009 /nfs/dbraw/zinc/80/70/09/541807009.db2.gz RJHFXIQMEOJVTN-UHFFFAOYSA-N 1 0 358.511 2.496 50 0 FEAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000072410208 541806884 /nfs/dbraw/zinc/80/68/84/541806884.db2.gz SXUOQUKCMLWRGR-KRWDZBQOSA-N 1 0 355.486 2.496 50 0 FEAARO [NH3+]CCN1C(=O)CC[C@H]2CN(C(=O)CCCCc3ccccc3)CC[C@H]21 ZINC000072410837 541807189 /nfs/dbraw/zinc/80/71/89/541807189.db2.gz TVADEPPVJSNUPH-RBUKOAKNSA-N 1 0 357.498 2.198 50 0 FEAARO CN(CCn1ccc2ccccc21)C(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072420025 541809467 /nfs/dbraw/zinc/80/94/67/541809467.db2.gz SHSXYTXHRYFWJJ-UHFFFAOYSA-N 1 0 351.454 2.032 50 0 FEAARO CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000072428847 541811955 /nfs/dbraw/zinc/81/19/55/541811955.db2.gz UIWMYYCEDJAZBS-IBGZPJMESA-N 1 0 350.422 2.106 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(OC)c(OC)c2)n1 ZINC000072437131 541814207 /nfs/dbraw/zinc/81/42/07/541814207.db2.gz LBUZIVZBCDBJNR-UHFFFAOYSA-N 1 0 359.430 2.076 50 0 FEAARO COC(=O)c1ccc(OC[C@@H](O)C[n+]2c(C)n(C)c3ccccc32)cc1 ZINC000000808007 203953100 /nfs/dbraw/zinc/95/31/00/203953100.db2.gz VZVWGAYTUVSUGX-INIZCTEOSA-N 1 0 355.414 2.001 50 0 FEAARO Cc1nc2sc3c(c2c2nc(C(=O)NCC[NH+](C)C)nn21)C[C@H](C)CC3 ZINC000002206026 204029510 /nfs/dbraw/zinc/02/95/10/204029510.db2.gz SLLYULZDFWRAOQ-SNVBAGLBSA-N 1 0 372.498 2.064 50 0 FEAARO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000002629252 204048045 /nfs/dbraw/zinc/04/80/45/204048045.db2.gz KVZPZSCYPJCPEG-WMZOPIPTSA-N 1 0 357.406 2.059 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C(=O)CC)cc2)C1 ZINC000004320415 204132107 /nfs/dbraw/zinc/13/21/07/204132107.db2.gz XHGFHHHCWUPLHA-IRXDYDNUSA-N 1 0 363.454 2.294 50 0 FEAARO CC[NH+](CC)CCCN1C(=S)N=NC1Cn1nnc(-c2ccccc2)n1 ZINC000007263589 204292589 /nfs/dbraw/zinc/29/25/89/204292589.db2.gz WEPSAQLZMZAUGR-UHFFFAOYSA-N 1 0 372.502 2.001 50 0 FEAARO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000009049711 204353296 /nfs/dbraw/zinc/35/32/96/204353296.db2.gz JQLUUHCLQMEQQY-UKTHLTGXSA-N 1 0 367.858 2.054 50 0 FEAARO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1sccc1C(N)=O ZINC000008728782 204341227 /nfs/dbraw/zinc/34/12/27/204341227.db2.gz JOKQTKWJZCLSLP-UHFFFAOYSA-N 1 0 365.430 2.326 50 0 FEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH2+]C1Cc2ccccc2C1 ZINC000011816867 204416575 /nfs/dbraw/zinc/41/65/75/204416575.db2.gz ALRRFFIZZNNHPP-QFIPXVFZSA-N 1 0 368.452 2.436 50 0 FEAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014751803 204587011 /nfs/dbraw/zinc/58/70/11/204587011.db2.gz DRGYYHIIOWFJGQ-UHFFFAOYSA-N 1 0 354.410 2.103 50 0 FEAARO CC[NH+](CC)CCCNC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC000021779042 204760118 /nfs/dbraw/zinc/76/01/18/204760118.db2.gz LRXTYEQIHBQXEW-GOSISDBHSA-N 1 0 363.458 2.045 50 0 FEAARO O[C@@H](COc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036030982 205001325 /nfs/dbraw/zinc/00/13/25/205001325.db2.gz AZYIUKKGPLVRFK-OAQYLSRUSA-N 1 0 370.493 2.261 50 0 FEAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036095050 205003242 /nfs/dbraw/zinc/00/32/42/205003242.db2.gz HHHKCJZWPAKWLI-MRXNPFEDSA-N 1 0 355.475 2.328 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCNC(=O)c2cccs2)C1 ZINC000036395833 205015091 /nfs/dbraw/zinc/01/50/91/205015091.db2.gz PJXBWUPEISBVHT-GJZGRUSLSA-N 1 0 351.516 2.352 50 0 FEAARO COc1cccc(-c2nc(NCC[NH+]3CCCC3)nc3nn(C)c(N)c32)c1 ZINC000037361259 205024517 /nfs/dbraw/zinc/02/45/17/205024517.db2.gz PPSYGTWVBDAQGI-UHFFFAOYSA-N 1 0 367.457 2.129 50 0 FEAARO Cc1ncc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)s1 ZINC000039532102 205046263 /nfs/dbraw/zinc/04/62/63/205046263.db2.gz YYLJQFCPNMRJND-GOSISDBHSA-N 1 0 366.575 2.193 50 0 FEAARO Cc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)nn1-c1ccc(Br)cc1 ZINC000299738386 205116426 /nfs/dbraw/zinc/11/64/26/205116426.db2.gz ABVNZDJBRRFISE-AWEZNQCLSA-N 1 0 363.259 2.377 50 0 FEAARO COc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc(OC)c1C ZINC000047423420 205146779 /nfs/dbraw/zinc/14/67/79/205146779.db2.gz PJRCLSMUZQQYSF-UHFFFAOYSA-N 1 0 362.470 2.197 50 0 FEAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)CC1 ZINC000048148040 205151783 /nfs/dbraw/zinc/15/17/83/205151783.db2.gz BRFOPFVJXVPPKH-IAGOWNOFSA-N 1 0 358.404 2.097 50 0 FEAARO Cn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000048302394 205156032 /nfs/dbraw/zinc/15/60/32/205156032.db2.gz ZEZVZBACYWXKNV-SFHVURJKSA-N 1 0 361.449 2.486 50 0 FEAARO O=c1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)cc2o1 ZINC000085875388 205176289 /nfs/dbraw/zinc/17/62/89/205176289.db2.gz DQWGUKCFDDPOQF-HIFRSBDPSA-N 1 0 364.401 2.280 50 0 FEAARO Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)C(=O)C[NH+](C)C ZINC000055358571 205216958 /nfs/dbraw/zinc/21/69/58/205216958.db2.gz JWOAHSSMPZQUGF-LJQANCHMSA-N 1 0 364.453 2.080 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(OC)c2c1CCCC2 ZINC000055104355 205206758 /nfs/dbraw/zinc/20/67/58/205206758.db2.gz WAPSLTWHNCPDDS-CQSZACIVSA-N 1 0 352.500 2.337 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2nc3ccccc3[nH]c2=O)s1 ZINC000055369139 205216983 /nfs/dbraw/zinc/21/69/83/205216983.db2.gz SJGPUUGQFJHPLI-UHFFFAOYSA-N 1 0 370.478 2.497 50 0 FEAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(C)n(CC(N)=O)c2ccccc21 ZINC000055119085 205208480 /nfs/dbraw/zinc/20/84/80/205208480.db2.gz KIDMQEZBSNCBAV-KRWDZBQOSA-N 1 0 370.497 2.316 50 0 FEAARO O=C(NCCc1[nH]nc2c1CCCC2)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055343006 205216206 /nfs/dbraw/zinc/21/62/06/205216206.db2.gz OQJSQZAEQURZJM-OAHLLOKOSA-N 1 0 356.470 2.452 50 0 FEAARO COC(=O)c1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000056291467 205229372 /nfs/dbraw/zinc/22/93/72/205229372.db2.gz BXPAYYRCPFCEDG-UHFFFAOYSA-N 1 0 353.422 2.216 50 0 FEAARO CC(C)C[NH+]1CCC(NC(=O)NCCC(=O)NCc2ccccc2)CC1 ZINC000058208597 205259412 /nfs/dbraw/zinc/25/94/12/205259412.db2.gz OHLNEQNMLSNUEA-UHFFFAOYSA-N 1 0 360.502 2.113 50 0 FEAARO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)([NH+](C)C)C1 ZINC000058202183 205260423 /nfs/dbraw/zinc/26/04/23/205260423.db2.gz UZZLSRPCZVEGNI-JXXFODFXSA-N 1 0 361.486 2.255 50 0 FEAARO C[N@@H+]1CCC[C@@H](c2cc(NCCc3nc(-c4cccnc4)no3)ncn2)C1 ZINC000063870106 205296653 /nfs/dbraw/zinc/29/66/53/205296653.db2.gz QYSFMDHUEIQCTQ-OAHLLOKOSA-N 1 0 365.441 2.385 50 0 FEAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccnc1N1CCCC1 ZINC000065478774 205353309 /nfs/dbraw/zinc/35/33/09/205353309.db2.gz CBXHQQSSJQLGMK-FUHWJXTLSA-N 1 0 373.501 2.304 50 0 FEAARO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 ZINC000065499565 205355928 /nfs/dbraw/zinc/35/59/28/205355928.db2.gz MCMCOYNNFSJLCD-KRWDZBQOSA-N 1 0 369.469 2.021 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)nn(C)c1=O ZINC000065505328 205356683 /nfs/dbraw/zinc/35/66/83/205356683.db2.gz QGBMSOYRUCVDRS-UHFFFAOYSA-N 1 0 371.485 2.015 50 0 FEAARO Cc1ncccc1OC1(C(=O)NCCNc2ccccc2)CC[NH2+]CC1 ZINC000065396810 205345429 /nfs/dbraw/zinc/34/54/29/205345429.db2.gz RGJLPVYWNMESPA-UHFFFAOYSA-N 1 0 354.454 2.119 50 0 FEAARO CC1=C(C(=O)NCC[NH+](C)C)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000065435512 205349453 /nfs/dbraw/zinc/34/94/53/205349453.db2.gz LNTQUKBJGJHCLN-AWEZNQCLSA-N 1 0 370.375 2.011 50 0 FEAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000067447193 205373487 /nfs/dbraw/zinc/37/34/87/205373487.db2.gz JLCYFKUOXKNDQJ-YWZLYKJASA-N 1 0 374.444 2.190 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3c(C)nn(C(C)C)c3C)CC2)nn(C)c1=O ZINC000067490541 205373855 /nfs/dbraw/zinc/37/38/55/205373855.db2.gz LFWRBAJUCKRPKC-UHFFFAOYSA-N 1 0 374.533 2.451 50 0 FEAARO Cc1cc(C)n(-c2ccc(F)cc2CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)n1 ZINC000067587325 205376699 /nfs/dbraw/zinc/37/66/99/205376699.db2.gz WJWKPHZINWKXIA-MJGOQNOKSA-N 1 0 373.476 2.054 50 0 FEAARO Cc1[nH]c2c(c1C(=O)N1CCC[N@H+](C)C3(CCN(C)CC3)C1)C(=O)CCC2 ZINC000067642455 205378316 /nfs/dbraw/zinc/37/83/16/205378316.db2.gz MJYGUXXHGLMCSR-UHFFFAOYSA-N 1 0 372.513 2.084 50 0 FEAARO c1cncc(NCCCNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)c1 ZINC000067713524 205386269 /nfs/dbraw/zinc/38/62/69/205386269.db2.gz ALBMBTLDPQHEDX-UHFFFAOYSA-N 1 0 361.453 2.493 50 0 FEAARO CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2Cc1cc2cc3c(cc2[nH]c1=O)CCC3 ZINC000067790635 205392274 /nfs/dbraw/zinc/39/22/74/205392274.db2.gz FBOYXMWXQCOTSZ-MSOLQXFVSA-N 1 0 351.450 2.212 50 0 FEAARO Cc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)nc2cc(S(C)(=O)=O)ccc12 ZINC000067805452 205392848 /nfs/dbraw/zinc/39/28/48/205392848.db2.gz GKJYXSGHVNZENX-AWEZNQCLSA-N 1 0 362.499 2.120 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCN3CCCC3)C2=O)cc1 ZINC000067856352 205397562 /nfs/dbraw/zinc/39/75/62/205397562.db2.gz FSHXGNMHODCWQU-JOCHJYFZSA-N 1 0 373.541 2.349 50 0 FEAARO Cc1nc2c(c(NCCc3ccco3)n1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000072407721 205530574 /nfs/dbraw/zinc/53/05/74/205530574.db2.gz BJVBROFVVVGMBZ-INIZCTEOSA-N 1 0 355.486 2.185 50 0 FEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(C(=O)c1ccoc1)C2 ZINC000082121564 205644747 /nfs/dbraw/zinc/64/47/47/205644747.db2.gz KSTMKXSBTSVBID-GGPKGHCWSA-N 1 0 362.470 2.259 50 0 FEAARO COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1F ZINC000091934425 205704967 /nfs/dbraw/zinc/70/49/67/205704967.db2.gz JABLSUVHEGSHML-IAGOWNOFSA-N 1 0 364.461 2.391 50 0 FEAARO CN(CC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000097785330 205926650 /nfs/dbraw/zinc/92/66/50/205926650.db2.gz SWVAQAWDJBWQMA-UHFFFAOYSA-N 1 0 370.472 2.433 50 0 FEAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCN[C@@H](c2ccccc2)C1 ZINC000097772875 205926684 /nfs/dbraw/zinc/92/66/84/205926684.db2.gz NRAZGOUCLRFKFW-HXUWFJFHSA-N 1 0 357.498 2.051 50 0 FEAARO CCO[C@H]1C[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C12CCCC2 ZINC000236995705 206029666 /nfs/dbraw/zinc/02/96/66/206029666.db2.gz DAYSULOEXBGVFS-IRXDYDNUSA-N 1 0 361.490 2.012 50 0 FEAARO Cc1cc(=O)c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1 ZINC000046878914 206079985 /nfs/dbraw/zinc/07/99/85/206079985.db2.gz CJCQCWWRDVBVEZ-OAHLLOKOSA-N 1 0 354.454 2.003 50 0 FEAARO CN1C(=O)CC[C@H](C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237053923 206080827 /nfs/dbraw/zinc/08/08/27/206080827.db2.gz GCHSXBUHPYRCRJ-YCPHGPKFSA-N 1 0 369.387 2.175 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000237320398 206100326 /nfs/dbraw/zinc/10/03/26/206100326.db2.gz MPJDFPJPLBVSQM-GFCCVEGCSA-N 1 0 361.305 2.378 50 0 FEAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC1(O)CCOCC1 ZINC000237786199 206109646 /nfs/dbraw/zinc/10/96/46/206109646.db2.gz ZHJLXUATUDHUGL-UHFFFAOYSA-N 1 0 351.397 2.398 50 0 FEAARO O=S(=O)(c1cc(Br)ccc1Cl)N1CCC[NH2+]CC1 ZINC000237822209 206110283 /nfs/dbraw/zinc/11/02/83/206110283.db2.gz UAICGDRGKOISIU-UHFFFAOYSA-N 1 0 353.669 2.087 50 0 FEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000237965758 206112260 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2.352 50 0 FEAARO OC1(Cn2ccnc2)CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000215709976 206349958 /nfs/dbraw/zinc/34/99/58/206349958.db2.gz DWWVJJOOSSGFMP-UHFFFAOYSA-N 1 0 355.467 2.429 50 0 FEAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000215965494 206354741 /nfs/dbraw/zinc/35/47/41/206354741.db2.gz ZXKPLGMVMGPORV-QGZVFWFLSA-N 1 0 353.426 2.416 50 0 FEAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000216330657 206357396 /nfs/dbraw/zinc/35/73/96/206357396.db2.gz QHENKGZQQRZELM-OAHLLOKOSA-N 1 0 355.438 2.380 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000219498103 206385507 /nfs/dbraw/zinc/38/55/07/206385507.db2.gz YYCBFIYDFJHVNS-UHFFFAOYSA-N 1 0 365.905 2.347 50 0 FEAARO CCn1c(C)cc(O)c([C@H](c2ccccc2OC)N2CC[NH+](C)CC2)c1=O ZINC000022696912 206389755 /nfs/dbraw/zinc/38/97/55/206389755.db2.gz SCBSMYWHCDRROE-FQEVSTJZSA-N 1 0 371.481 2.228 50 0 FEAARO Cn1ccnc1[C@@H](O)C1CCN(C(=O)CC[NH+]2Cc3ccccc3C2)CC1 ZINC000223649140 206445911 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O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096147801 132220247 /nfs/dbraw/zinc/22/02/47/132220247.db2.gz OTFFEBQMVBGMDZ-KRWDZBQOSA-N 1 0 374.554 2.338 50 0 FEAARO O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096147802 132220304 /nfs/dbraw/zinc/22/03/04/132220304.db2.gz OTFFEBQMVBGMDZ-QGZVFWFLSA-N 1 0 374.554 2.338 50 0 FEAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(c1nc(N)nc3nc[nH]c31)CC2 ZINC000096141374 132220459 /nfs/dbraw/zinc/22/04/59/132220459.db2.gz SKCHTQQIKQVSRX-OAHLLOKOSA-N 1 0 363.469 2.393 50 0 FEAARO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000225401080 132284728 /nfs/dbraw/zinc/28/47/28/132284728.db2.gz YGEOPJBOVNSLMF-HOTGVXAUSA-N 1 0 359.470 2.133 50 0 FEAARO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000089905718 542773199 /nfs/dbraw/zinc/77/31/99/542773199.db2.gz LOJVENLXMAQYDG-CYBMUJFWSA-N 1 0 355.394 2.457 50 0 FEAARO Cc1nc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cs1 ZINC000091381359 542805259 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CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)COc1ccc(C)cc1)CC2 ZINC000091619853 542816095 /nfs/dbraw/zinc/81/60/95/542816095.db2.gz OIUSWCHPSOBJGB-UHFFFAOYSA-N 1 0 368.481 2.493 50 0 FEAARO O=C(NCC[C@@H]1CCC[NH2+]1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000091625393 542816580 /nfs/dbraw/zinc/81/65/80/542816580.db2.gz BZEUBLDWXZSUJF-IIFATDLDSA-N 1 0 370.497 2.110 50 0 FEAARO O=C(CN1CCCC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091643287 542817266 /nfs/dbraw/zinc/81/72/66/542817266.db2.gz MIKVAKMSZGFZQZ-VQTJNVASSA-N 1 0 369.509 2.164 50 0 FEAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)C1 ZINC000091736277 542822109 /nfs/dbraw/zinc/82/21/09/542822109.db2.gz NCEZICZRYHMPPV-IBGZPJMESA-N 1 0 367.497 2.374 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)on1)CC2 ZINC000091656208 542818261 /nfs/dbraw/zinc/81/82/61/542818261.db2.gz NRRCMJNMNKPEFW-UHFFFAOYSA-N 1 0 357.458 2.496 50 0 FEAARO CCNc1nc(C)c(C(=O)N2C[C@H]([NH3+])[C@@H](c3cccc(OC)c3)C2)s1 ZINC000091877151 542829840 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2.144 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)C2CCN(c3ncccn3)CC2)[NH+](C)C)cc1 ZINC000058251058 136131255 /nfs/dbraw/zinc/13/12/55/136131255.db2.gz KSAVMDIBOUEUGG-LJQANCHMSA-N 1 0 367.497 2.421 50 0 FEAARO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095370114 542962322 /nfs/dbraw/zinc/96/23/22/542962322.db2.gz GRIWESJYIGXIFQ-QZTJIDSGSA-N 1 0 353.470 2.169 50 0 FEAARO OCCC[NH+]1CCN(c2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072121761 136141907 /nfs/dbraw/zinc/14/19/07/136141907.db2.gz REYGACZIQGNQPV-UHFFFAOYSA-N 1 0 355.417 2.040 50 0 FEAARO CCN1CC2(CC[NH+](CC(=O)NC3CC3)CC2)C[C@H](c2ccccc2)C1=O ZINC000095374950 542963580 /nfs/dbraw/zinc/96/35/80/542963580.db2.gz OUOGPBIOSKXUJZ-LJQANCHMSA-N 1 0 369.509 2.383 50 0 FEAARO Cc1ccc(N2CCC([N@H+]3CCO[C@@H](C(=O)N(C)C)C3)CC2)cc1Cl ZINC000072411319 136145539 /nfs/dbraw/zinc/14/55/39/136145539.db2.gz CIKYILZEOFDNLK-GOSISDBHSA-N 1 0 365.905 2.406 50 0 FEAARO CCc1cc(N2CCN(C3CC[NH+](C)CC3)CC2)n2nc(C)c(C)c2n1 ZINC000072454170 136148547 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Cc1nc(-c2ccccc2)ncc1C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000097528898 543012808 /nfs/dbraw/zinc/01/28/08/543012808.db2.gz CSKGYPYCDGSKHT-KRWDZBQOSA-N 1 0 354.454 2.029 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cc(-c2ccncc2)n[nH]1 ZINC000097742951 543016115 /nfs/dbraw/zinc/01/61/15/543016115.db2.gz HGHAKZIJNAJHEU-UHFFFAOYSA-N 1 0 362.437 2.261 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cnc2sccn2c1=O ZINC000097463541 543012254 /nfs/dbraw/zinc/01/22/54/543012254.db2.gz HBIWJAYZFSAWRJ-LBPRGKRZSA-N 1 0 374.491 2.212 50 0 FEAARO COc1cc2[nH]c(=O)c(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)cc2c(OC)c1OC ZINC000102505792 543072130 /nfs/dbraw/zinc/07/21/30/543072130.db2.gz NBYRZGPAFSMUEU-WDNDVIMCSA-N 1 0 374.437 2.042 50 0 FEAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH2+]CC3)cc1 ZINC000140701005 544410081 /nfs/dbraw/zinc/41/00/81/544410081.db2.gz XGNKBJVXMQZUEB-UHFFFAOYSA-N 1 0 359.470 2.280 50 0 FEAARO COc1cc2[nH]c3c(ncnc3NCCCN3CCOCC3)c2cc1OC ZINC000020441071 263380927 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CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1cc(C)cn1)CC2 ZINC000091425423 520596334 /nfs/dbraw/zinc/59/63/34/520596334.db2.gz PTVKNUYZTWIBOO-UHFFFAOYSA-N 1 0 370.501 2.091 50 0 FEAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)cc1OC ZINC000239653674 520960795 /nfs/dbraw/zinc/96/07/95/520960795.db2.gz BKQWMVSPNUAXKC-IAGOWNOFSA-N 1 0 353.459 2.082 50 0 FEAARO CCN(CCNC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1cccc(C)c1 ZINC000248012140 521075793 /nfs/dbraw/zinc/07/57/93/521075793.db2.gz YWRKUJIYNURUIV-CALCHBBNSA-N 1 0 370.501 2.285 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC000178989240 522053779 /nfs/dbraw/zinc/05/37/79/522053779.db2.gz WFXITDRJXVCAQS-MNOVXSKESA-N 1 0 359.239 2.423 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)CCc2cc(Br)ccc2OC)C1 ZINC000179028086 522088676 /nfs/dbraw/zinc/08/86/76/522088676.db2.gz UMEPCYXTGPLVTL-GFCCVEGCSA-N 1 0 355.276 2.458 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)C[C@H]1CCCO ZINC000091586061 522101363 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C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)C1 ZINC000091535310 523812543 /nfs/dbraw/zinc/81/25/43/523812543.db2.gz DDUIYLKEYCLCGL-GOSISDBHSA-N 1 0 367.497 2.374 50 0 FEAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)nc1 ZINC000091270478 523925387 /nfs/dbraw/zinc/92/53/87/523925387.db2.gz XPJFZNXTBKXEME-KRWDZBQOSA-N 1 0 365.485 2.397 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3ccon3)C[C@@H]2CCO)c(C)c1C ZINC000020996077 524032835 /nfs/dbraw/zinc/03/28/35/524032835.db2.gz JWOXBXQFQGVBSH-IBGZPJMESA-N 1 0 359.470 2.369 50 0 FEAARO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C[C@H](C)[NH2+]1 ZINC000153681067 524534616 /nfs/dbraw/zinc/53/46/16/524534616.db2.gz VNMXAXDOHCTRRI-KBPBESRZSA-N 1 0 350.484 2.225 50 0 FEAARO Cc1cccc(N2C[C@@H](C(=O)N3CCC(OCCC[NH3+])CC3)CC2=O)c1C ZINC000269187688 524564864 /nfs/dbraw/zinc/56/48/64/524564864.db2.gz GTEJLVDCZMANSX-KRWDZBQOSA-N 1 0 373.497 2.013 50 0 FEAARO Cc1ccc(C[NH2+]Cc2cccn2-c2nnc(N3CCOCC3)s2)o1 ZINC000020576737 524585372 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50 0 FEAARO O=C(COC[C@@H]1CCCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082121881 526932794 /nfs/dbraw/zinc/93/27/94/526932794.db2.gz RPAYKJURHAFHIK-FQEVSTJZSA-N 1 0 360.498 2.349 50 0 FEAARO O=C1N(CC2CC2)CCC[C@]12CC[N@H+](Cc1nnc(-c3cccnc3)o1)C2 ZINC000091469053 527037329 /nfs/dbraw/zinc/03/73/29/527037329.db2.gz XKWZYNXRYZYSBH-HXUWFJFHSA-N 1 0 367.453 2.356 50 0 FEAARO CCn1c(CN2CCN(c3ccccc3Cl)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243893396 535982741 /nfs/dbraw/zinc/98/27/41/535982741.db2.gz AQUMMLGVBXRWFZ-GASCZTMLSA-N 1 0 374.920 2.478 50 0 FEAARO COc1ccccc1N1CCN(c2ncnc3c2CC[NH2+]C3)CC1(C)C ZINC000067788948 537072288 /nfs/dbraw/zinc/07/22/88/537072288.db2.gz LKXGNNFLEXHYIP-UHFFFAOYSA-N 1 0 353.470 2.236 50 0 FEAARO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)no1 ZINC000164491301 546151159 /nfs/dbraw/zinc/15/11/59/546151159.db2.gz XMFYUXLDQZSRMZ-INIZCTEOSA-N 1 0 355.398 2.318 50 0 FEAARO Cn1c(=O)cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)c2ccccc21 ZINC000215144972 548669387 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COc1ccc([C@H](NC(=O)C2([NH+]3CCCC3)CCCC2)[C@H]2C[C@H](O)C2)cn1 ZINC000244734560 548894262 /nfs/dbraw/zinc/89/42/62/548894262.db2.gz NHZOBQGPWPXLMT-LNLFQRSKSA-N 1 0 373.497 2.427 50 0 FEAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCCS(=O)(=O)N(C)C)C3)nc2c1 ZINC000244778686 548894794 /nfs/dbraw/zinc/89/47/94/548894794.db2.gz PUWGXTJCFBQNKQ-OAHLLOKOSA-N 1 0 364.515 2.332 50 0 FEAARO Nc1nc(NCCOc2cccc3cccnc32)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244840221 548895922 /nfs/dbraw/zinc/89/59/22/548895922.db2.gz UIZYWKFZMABMII-HDJSIYSDSA-N 1 0 350.426 2.303 50 0 FEAARO Cc1nc2c(c(C)n1)C[C@H](C[NH+]1CCC(C(=O)NCc3ccco3)CC1)O2 ZINC000244899423 548898069 /nfs/dbraw/zinc/89/80/69/548898069.db2.gz ZJRCVYYQUFZZJU-QGZVFWFLSA-N 1 0 370.453 2.018 50 0 FEAARO Cn1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cn1 ZINC000249315195 549580526 /nfs/dbraw/zinc/58/05/26/549580526.db2.gz PHWFWRUORUFADR-HZPDHXFCSA-N 1 0 366.387 2.347 50 0 FEAARO COc1cccc(-n2cc(CNC(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)cn2)c1 ZINC000252481082 549668086 /nfs/dbraw/zinc/66/80/86/549668086.db2.gz CHOPBBYHJMBKSI-WBVHZDCISA-N 1 0 354.454 2.372 50 0 FEAARO COc1cc(CC(=O)N2CCC3(C2)CC[NH2+]CC3)c(C(C)=O)cc1OC ZINC000252490777 549669180 /nfs/dbraw/zinc/66/91/80/549669180.db2.gz LASVQUVSXACBDP-UHFFFAOYSA-N 1 0 360.454 2.051 50 0 FEAARO CCOC(=O)[C@@H]1[C@@H]([NH2+]CC2(C)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000252497197 549670019 /nfs/dbraw/zinc/67/00/19/549670019.db2.gz QBGIDSRYYXBMJR-GJZGRUSLSA-N 1 0 370.490 2.334 50 0 FEAARO CCc1nnc(NC(=O)CC[N@H+](C)C[C@H]2Cc3ccccc3CN2C)s1 ZINC000252509488 549670849 /nfs/dbraw/zinc/67/08/49/549670849.db2.gz YOQHUAVVFLPVSL-MRXNPFEDSA-N 1 0 373.526 2.418 50 0 FEAARO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000252503562 549671409 /nfs/dbraw/zinc/67/14/09/549671409.db2.gz VFGXYZUNEJTGDY-OAHLLOKOSA-N 1 0 357.498 2.409 50 0 FEAARO [NH3+][C@H]1C[C@H](c2nnc(CN3CC(OCc4ccccc4)C3)n2C2CC2)C1 ZINC000252532920 549672895 /nfs/dbraw/zinc/67/28/95/549672895.db2.gz FLNUDYWELMPHSU-WKILWMFISA-N 1 0 353.470 2.219 50 0 FEAARO Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 ZINC000252572052 549675023 /nfs/dbraw/zinc/67/50/23/549675023.db2.gz YWGWJIJEBVTJHG-MAEOIBBWSA-N 1 0 353.470 2.495 50 0 FEAARO Cc1ccc(NC(=O)N2CC[C@H](c3nnc4n3CC[N@@H+](C)CC4)C2)cc1C ZINC000257186438 549713515 /nfs/dbraw/zinc/71/35/15/549713515.db2.gz KKZPWXUFUUCZPH-INIZCTEOSA-N 1 0 368.485 2.404 50 0 FEAARO O=C(C[C@H]1CCc2nnc(C3CC3)n2CC1)NCC[NH+]1CCCCCC1 ZINC000257188034 549713551 /nfs/dbraw/zinc/71/35/51/549713551.db2.gz DCSCJLSGYFURDB-INIZCTEOSA-N 1 0 359.518 2.490 50 0 FEAARO CC(C)C(=O)N1CC[C@@H](c2nnc3n2CC[N@@H+](Cc2ccccc2)CC3)C1 ZINC000257196249 549717072 /nfs/dbraw/zinc/71/70/72/549717072.db2.gz XWKDADZQOSPXCL-GOSISDBHSA-N 1 0 367.497 2.308 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000261837834 549760412 /nfs/dbraw/zinc/76/04/12/549760412.db2.gz YFAFVDPKWHXIMY-GHMZBOCLSA-N 1 0 352.378 2.333 50 0 FEAARO Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)CCCN1C ZINC000284413734 551543931 /nfs/dbraw/zinc/54/39/31/551543931.db2.gz CDJHLWARYZIXPJ-OXJNMPFZSA-N 1 0 356.470 2.364 50 0 FEAARO Cn1cnc2cc(C[NH2+]C[C@@H]3CCCN(C)[C@H]3c3ccnn3C)ccc21 ZINC000284518102 551567639 /nfs/dbraw/zinc/56/76/39/551567639.db2.gz LPPVMSLLLHGWSI-OXJNMPFZSA-N 1 0 352.486 2.480 50 0 FEAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N2CCCO2)CC1 ZINC000291246655 552605862 /nfs/dbraw/zinc/60/58/62/552605862.db2.gz LOVMLHKAXSCDFJ-AWEZNQCLSA-N 1 0 350.438 2.376 50 0 FEAARO O=C1C[C@@H](C[N@@H+]2CCCN(c3ncccn3)CC2)CN1c1ccccc1 ZINC000299757655 553610983 /nfs/dbraw/zinc/61/09/83/553610983.db2.gz IGRVFDPOZFIMTD-KRWDZBQOSA-N 1 0 351.454 2.042 50 0 FEAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCCc1ccccn1)C2 ZINC000299757936 553611278 /nfs/dbraw/zinc/61/12/78/553611278.db2.gz LKMGMUJFDMHJNT-INIZCTEOSA-N 1 0 369.465 2.422 50 0 FEAARO COc1nc(-c2cccc(C(=O)N(C)CC[NH+]3CCCCCC3)c2)nn1C ZINC000299764103 553611713 /nfs/dbraw/zinc/61/17/13/553611713.db2.gz SGVKCMSSCKHIEP-UHFFFAOYSA-N 1 0 371.485 2.439 50 0 FEAARO CCn1cnnc1CCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299762298 553611967 /nfs/dbraw/zinc/61/19/67/553611967.db2.gz UDYCFVUOKIFRJY-KSZLIROESA-N 1 0 353.470 2.182 50 0 FEAARO C[C@@H]1C[N@@H+](CCC(=O)NCc2nc(C3CCCCC3)no2)C[C@H](C)O1 ZINC000299769939 553612703 /nfs/dbraw/zinc/61/27/03/553612703.db2.gz PNZIGCFGGPAKPX-OKILXGFUSA-N 1 0 350.463 2.233 50 0 FEAARO Cc1ccc([C@H](NC(=O)CC[NH+]2CCN(C)CC2)c2ccncc2)cc1 ZINC000299772142 553613141 /nfs/dbraw/zinc/61/31/41/553613141.db2.gz YVXPMFPZLIFHGL-NRFANRHFSA-N 1 0 352.482 2.233 50 0 FEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCc2nc(-c3cccnc3)no2)C1 ZINC000299773125 553613175 /nfs/dbraw/zinc/61/31/75/553613175.db2.gz ATZBPOFFXDSPFI-MRXNPFEDSA-N 1 0 357.458 2.397 50 0 FEAARO Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299776516 553614015 /nfs/dbraw/zinc/61/40/15/553614015.db2.gz LSSPYIBSXQFUTQ-KSZLIROESA-N 1 0 366.465 2.375 50 0 FEAARO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CCN2CC[NH+](C)CC2)c1Cl ZINC000299797835 553616021 /nfs/dbraw/zinc/61/60/21/553616021.db2.gz OXMWGKNEUZHUHP-CQSZACIVSA-N 1 0 353.898 2.004 50 0 FEAARO O=S(=O)(NCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1)c1ccccc1 ZINC000329777278 554003996 /nfs/dbraw/zinc/00/39/96/554003996.db2.gz KJIGSZISUDGIIO-GOSISDBHSA-N 1 0 371.506 2.102 50 0 FEAARO COc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)c2)cn1 ZINC000426510457 559736370 /nfs/dbraw/zinc/73/63/70/559736370.db2.gz VILVZVKQPNCOOK-LJQANCHMSA-N 1 0 369.465 2.334 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nc(C)cc(NC)n2)c1 ZINC000426536527 559737284 /nfs/dbraw/zinc/73/72/84/559737284.db2.gz RERWDNFFFLUNHV-KRWDZBQOSA-N 1 0 353.470 2.708 50 0 FEAARO O=C(CCCn1cnnn1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000426544892 559737461 /nfs/dbraw/zinc/73/74/61/559737461.db2.gz CTGBCZRVQVJEFG-HXUWFJFHSA-N 1 0 374.533 2.348 50 0 FEAARO COc1ccc(Cn2nc(C)cc2NC(=O)N2CCC[C@@H]([NH3+])C2)cc1OC ZINC000426547725 559737537 /nfs/dbraw/zinc/73/75/37/559737537.db2.gz YRJLPNAGHCMGPF-OAHLLOKOSA-N 1 0 373.457 2.212 50 0 FEAARO Cc1cc(C)nc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000426551108 559737621 /nfs/dbraw/zinc/73/76/21/559737621.db2.gz LMPZGEIZFRQXDB-LJQANCHMSA-N 1 0 368.481 2.337 50 0 FEAARO CC(=O)NCc1cc2n(n1)CCN(Cc1c(C)nc3ccc(Cl)cn31)C2 ZINC000426574707 559738151 /nfs/dbraw/zinc/73/81/51/559738151.db2.gz JZYGYTKRRWXPLO-UHFFFAOYSA-N 1 0 372.860 2.145 50 0 FEAARO Cc1c[nH]c(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)n1 ZINC000426589048 559738349 /nfs/dbraw/zinc/73/83/49/559738349.db2.gz NYVVOUWDRYORTK-GOSISDBHSA-N 1 0 353.470 2.103 50 0 FEAARO Cc1nn(CCC(N)=O)c(C)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426656945 559739738 /nfs/dbraw/zinc/73/97/38/559739738.db2.gz LWIIDLGYPRVJDI-OAHLLOKOSA-N 1 0 356.470 2.436 50 0 FEAARO Cn1nnc2cc(NC(=O)NC[C@@H]3Cc4ccccc4C[N@@H+]3C)ccc21 ZINC000426667591 559739806 /nfs/dbraw/zinc/73/98/06/559739806.db2.gz NZIXZCOAOLQDAO-INIZCTEOSA-N 1 0 350.426 2.147 50 0 FEAARO C[NH+](C)C1(CNC(=O)N2CCC([C@@H](O)c3ccccn3)CC2)CCCC1 ZINC000534645904 562539236 /nfs/dbraw/zinc/53/92/36/562539236.db2.gz XYCINHDLTINSES-GOSISDBHSA-N 1 0 360.502 2.411 50 0 FEAARO CN(C)c1nsc(-c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)n1 ZINC000534676031 562540162 /nfs/dbraw/zinc/54/01/62/562540162.db2.gz JWZGEFSADIDHOH-UHFFFAOYSA-N 1 0 359.499 2.487 50 0 FEAARO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)ccc1-n1cncn1 ZINC000583618863 570808359 /nfs/dbraw/zinc/80/83/59/570808359.db2.gz UJFKDBOBXCLESM-DFQSSKMNSA-N 1 0 356.470 2.328 50 0 FEAARO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262128 570884148 /nfs/dbraw/zinc/88/41/48/570884148.db2.gz CSIGBVXERKSSJS-RYUDHWBXSA-N 1 0 350.850 2.053 50 0 FEAARO CCOC(=O)N[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000047932323 570932343 /nfs/dbraw/zinc/93/23/43/570932343.db2.gz GDESICYVZHYBLM-IRXDYDNUSA-N 1 0 365.474 2.185 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000112511360 570958926 /nfs/dbraw/zinc/95/89/26/570958926.db2.gz KYPKJZWNIHVABB-GHMZBOCLSA-N 1 0 352.378 2.333 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000084544240 571088593 /nfs/dbraw/zinc/08/85/93/571088593.db2.gz QLGHUPGMYUCMOM-UXHICEINSA-N 1 0 371.525 2.314 50 0 FEAARO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2nccnc2n1 ZINC000423512151 571150779 /nfs/dbraw/zinc/15/07/79/571150779.db2.gz QQYTWRIHIFTMOF-YOEHRIQHSA-N 1 0 351.385 2.039 50 0 FEAARO C[C@@H]([NH2+]Cc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000090778725 571188692 /nfs/dbraw/zinc/18/86/92/571188692.db2.gz UOLLHBWFOLBXOA-CYBMUJFWSA-N 1 0 366.458 2.419 50 0 FEAARO CCn1nc(C)c(CN(CCOC)C(=O)NCC2CC[NH+](C)CC2)c1C ZINC000426397446 571219534 /nfs/dbraw/zinc/21/95/34/571219534.db2.gz PBJQQTRWTLNIEI-UHFFFAOYSA-N 1 0 365.522 2.020 50 0 FEAARO COc1n[nH]c(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)cc2)n1 ZINC000584889347 571314413 /nfs/dbraw/zinc/31/44/13/571314413.db2.gz UOSCEASARZQORI-ZDUSSCGKSA-N 1 0 355.442 2.179 50 0 FEAARO CN(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000584890583 571314582 /nfs/dbraw/zinc/31/45/82/571314582.db2.gz HYJCWNCYGOGLOX-SFHVURJKSA-N 1 0 358.486 2.158 50 0 FEAARO CC[C@@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)c1nc(C)no1 ZINC000584894875 571315197 /nfs/dbraw/zinc/31/51/97/571315197.db2.gz KQWCKYFCVRRHCR-CQSZACIVSA-N 1 0 353.492 2.052 50 0 FEAARO Cc1cc(-c2cccc(C(=O)N3CCC([NH3+])CC3)c2)cnc1-n1cnnc1 ZINC000584897056 571315657 /nfs/dbraw/zinc/31/56/57/571315657.db2.gz BGMJVTVJCCMCNO-UHFFFAOYSA-N 1 0 362.437 2.201 50 0 FEAARO Cc1nc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)cc2)c(C)[nH]1 ZINC000584898035 571315771 /nfs/dbraw/zinc/31/57/71/571315771.db2.gz QPYDFVJDXTZKQI-INIZCTEOSA-N 1 0 356.470 2.128 50 0 FEAARO O=C(CCC(F)(F)F)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670439371 571348126 /nfs/dbraw/zinc/34/81/26/571348126.db2.gz XDKHZAVJVGJICH-GMXGEUMGSA-N 1 0 367.415 2.013 50 0 FEAARO CS[C@@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@H]1[NH+](C)C ZINC000543903113 673677271 /nfs/dbraw/zinc/67/72/71/673677271.db2.gz NIUSDGOVJAIGIT-ZIAGYGMSSA-N 1 0 360.512 2.335 50 0 FEAARO COc1ccc(-c2noc(CN3CCC([NH+]4CCOCC4)CC3)n2)cc1 ZINC000011662782 539531742 /nfs/dbraw/zinc/53/17/42/539531742.db2.gz ZSNYBQIATFBZSX-UHFFFAOYSA-N 1 0 358.442 2.042 50 0 FEAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3sccc3C)CC2)O1 ZINC000012098840 539542546 /nfs/dbraw/zinc/54/25/46/539542546.db2.gz RYSIVHDOOQZGNN-HNNXBMFYSA-N 1 0 352.500 2.333 50 0 FEAARO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000012334583 539555297 /nfs/dbraw/zinc/55/52/97/539555297.db2.gz SAAFYNTYGNETKX-KRWDZBQOSA-N 1 0 371.525 2.314 50 0 FEAARO Cc1cc(NC(=O)CSc2nc(N)cc(N)[nH+]2)n(-c2ccc(C)cc2)n1 ZINC000012537996 539563038 /nfs/dbraw/zinc/56/30/38/539563038.db2.gz LCEUDHUKYVFSFI-UHFFFAOYSA-N 1 0 369.454 2.174 50 0 FEAARO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012593527 539566721 /nfs/dbraw/zinc/56/67/21/539566721.db2.gz AJLRCIRQQDTZJE-LJQANCHMSA-N 1 0 369.509 2.416 50 0 FEAARO O=S(=O)(c1ccc(C[NH2+]CC2CCCCC2)cc1)N1CCOCC1 ZINC000012786121 539573850 /nfs/dbraw/zinc/57/38/50/539573850.db2.gz GRPXJKSZQDHRKP-UHFFFAOYSA-N 1 0 352.500 2.377 50 0 FEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000012921907 539579425 /nfs/dbraw/zinc/57/94/25/539579425.db2.gz CTNWAYLXNAVRDL-UHFFFAOYSA-N 1 0 364.389 2.490 50 0 FEAARO O=C(CN1CCc2ccccc2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014242642 539600065 /nfs/dbraw/zinc/60/00/65/539600065.db2.gz AAMOWDVZYJCXQH-UHFFFAOYSA-N 1 0 371.525 2.196 50 0 FEAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000014978586 539608434 /nfs/dbraw/zinc/60/84/34/539608434.db2.gz LYNJVJRBXXQNIY-QFIPXVFZSA-N 1 0 369.509 2.432 50 0 FEAARO CSCCCNC(=O)c1sc2ncnc(NCC[NH+](C)C)c2c1C ZINC000014997894 539609510 /nfs/dbraw/zinc/60/95/10/539609510.db2.gz IVTBJVBYQXZIFK-UHFFFAOYSA-N 1 0 367.544 2.456 50 0 FEAARO OC1CC[NH+]([C@@H]2CCN(Cc3cccc(C(F)(F)F)c3)C[C@H]2O)CC1 ZINC000015068278 539610334 /nfs/dbraw/zinc/61/03/34/539610334.db2.gz HHWZCHUHPICTAW-IAGOWNOFSA-N 1 0 358.404 2.097 50 0 FEAARO CN(Cc1ccon1)c1ccc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000015066463 539610643 /nfs/dbraw/zinc/61/06/43/539610643.db2.gz AJFUHTYUKWQBMS-QGZVFWFLSA-N 1 0 357.458 2.310 50 0 FEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3cccc(C)n3)C2=O)c1 ZINC000015075681 539611707 /nfs/dbraw/zinc/61/17/07/539611707.db2.gz RCKZCKXAFWRMBN-OAQYLSRUSA-N 1 0 353.466 2.342 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677427 539621682 /nfs/dbraw/zinc/62/16/82/539621682.db2.gz FLZMLWRUKJFVNS-UHFFFAOYSA-N 1 0 356.470 2.195 50 0 FEAARO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000019654500 539664126 /nfs/dbraw/zinc/66/41/26/539664126.db2.gz HEKDVWZYPWMLTI-CQSZACIVSA-N 1 0 352.442 2.190 50 0 FEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)o1 ZINC000020784251 539677690 /nfs/dbraw/zinc/67/76/90/539677690.db2.gz MCJVYBSWLICPBO-AWEZNQCLSA-N 1 0 359.474 2.325 50 0 FEAARO C[NH+]1CCN([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441756 539675145 /nfs/dbraw/zinc/67/51/45/539675145.db2.gz ODZGWRYCXWERTP-SJORKVTESA-N 1 0 371.934 2.177 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccc(F)cc3)n2)CC1 ZINC000021930002 539689808 /nfs/dbraw/zinc/68/98/08/539689808.db2.gz UAWHSCVSVUQKGS-UHFFFAOYSA-N 1 0 369.448 2.256 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)[C@@H]1CCCCN21 ZINC000021938274 539690014 /nfs/dbraw/zinc/69/00/14/539690014.db2.gz MLVOXQKCRZBKRS-SFHVURJKSA-N 1 0 356.470 2.213 50 0 FEAARO CCOc1cccc(CNCC[NH2+]CCO)c1OCc1ccccc1F ZINC000022937114 539703351 /nfs/dbraw/zinc/70/33/51/539703351.db2.gz YCTVWRCGKUYKFP-UHFFFAOYSA-N 1 0 362.445 2.475 50 0 FEAARO Cc1cnc(NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1ncnn1C ZINC000023310839 539711702 /nfs/dbraw/zinc/71/17/02/539711702.db2.gz ROPBMFWJIHOIRZ-QGZVFWFLSA-N 1 0 363.469 2.482 50 0 FEAARO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025410526 539758774 /nfs/dbraw/zinc/75/87/74/539758774.db2.gz DGNQPKUSTXOUAX-QGZVFWFLSA-N 1 0 365.477 2.488 50 0 FEAARO CCn1c2ccccc2n(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1=O ZINC000025331584 539755761 /nfs/dbraw/zinc/75/57/61/539755761.db2.gz UOPYRAICBLZDJM-KRWDZBQOSA-N 1 0 372.494 2.304 50 0 FEAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(c3cnccn3)C2)CCCCCC1 ZINC000029782823 539864295 /nfs/dbraw/zinc/86/42/95/539864295.db2.gz MWLQNRRXOGGBQT-QGZVFWFLSA-N 1 0 359.518 2.464 50 0 FEAARO CCCn1nc(C(=O)NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)ccc1=O ZINC000032817236 539954644 /nfs/dbraw/zinc/95/46/44/539954644.db2.gz DPMOOGQOMKKVJK-SFHVURJKSA-N 1 0 368.481 2.220 50 0 FEAARO Cc1ccccc1C(=O)N(CC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000033032849 539964259 /nfs/dbraw/zinc/96/42/59/539964259.db2.gz OYLYNFFGUQKRQL-UHFFFAOYSA-N 1 0 351.450 2.069 50 0 FEAARO Cc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000033032570 539964577 /nfs/dbraw/zinc/96/45/77/539964577.db2.gz RDSBAMJVLQPWQP-UHFFFAOYSA-N 1 0 369.440 2.208 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2nnc(C)s2)cc1 ZINC000033010993 539963561 /nfs/dbraw/zinc/96/35/61/539963561.db2.gz CCSYSNHUQOPDDB-UHFFFAOYSA-N 1 0 361.471 2.170 50 0 FEAARO C[N@H+](CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 ZINC000033077182 539966540 /nfs/dbraw/zinc/96/65/40/539966540.db2.gz PHTUNOWMBKARSS-UHFFFAOYSA-N 1 0 363.483 2.071 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21c2cccc(C)c2NC1=O ZINC000033542321 539974433 /nfs/dbraw/zinc/97/44/33/539974433.db2.gz DEWDBMMNZPWYTG-CMBDLQSPSA-N 1 0 369.465 2.172 50 0 FEAARO CN1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1 ZINC000035482338 539982490 /nfs/dbraw/zinc/98/24/90/539982490.db2.gz ZJVVDIAQXBEWDS-UHFFFAOYSA-N 1 0 365.412 2.461 50 0 FEAARO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccnc2N2CCOCC2)o1 ZINC000040092300 540006476 /nfs/dbraw/zinc/00/64/76/540006476.db2.gz ILYNFROVPKFIDX-UHFFFAOYSA-N 1 0 372.469 2.283 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000040120595 540006950 /nfs/dbraw/zinc/00/69/50/540006950.db2.gz QDBCSVHQDFLMTQ-ZFWWWQNUSA-N 1 0 357.462 2.213 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CC(C)(C)C)C2=O)c1 ZINC000067872898 541523339 /nfs/dbraw/zinc/52/33/39/541523339.db2.gz ONCFRZRSGQRZCM-IBGZPJMESA-N 1 0 352.450 2.324 50 0 FEAARO Cc1cnn(CCCn2nc([C@@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)c1 ZINC000067880610 541524230 /nfs/dbraw/zinc/52/42/30/541524230.db2.gz FBFHJHAYOVECIF-QGZVFWFLSA-N 1 0 366.469 2.096 50 0 FEAARO C[C@@]1(O)CC[N@H+](Cc2ccc(OCC(N)=O)cc2)C[C@@H]1Cc1ccccc1 ZINC000067895788 541526692 /nfs/dbraw/zinc/52/66/92/541526692.db2.gz XPPIQCXCCJIYOW-SIKLNZKXSA-N 1 0 368.477 2.366 50 0 FEAARO C[N@H+](Cc1[nH]nc2c1CCCCC2)C[C@]1(O)CCCN(CC2CCC2)C1=O ZINC000067908641 541527147 /nfs/dbraw/zinc/52/71/47/541527147.db2.gz OIQFVRMULIUZET-OAQYLSRUSA-N 1 0 374.529 2.264 50 0 FEAARO CCc1nnc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)s1 ZINC000067920450 541528176 /nfs/dbraw/zinc/52/81/76/541528176.db2.gz WARIWFSSXAKFTI-UHFFFAOYSA-N 1 0 353.455 2.210 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)CCc3ccccn3)cnn2c1 ZINC000067982935 541534905 /nfs/dbraw/zinc/53/49/05/541534905.db2.gz FJCCESNYBCOMBL-UHFFFAOYSA-N 1 0 366.469 2.281 50 0 FEAARO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c2ccc(Cl)cc2n1 ZINC000071278836 541765896 /nfs/dbraw/zinc/76/58/96/541765896.db2.gz CHMNSSRZKQUGQY-DYVFJYSZSA-N 1 0 374.872 2.263 50 0 FEAARO CCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071419430 541767620 /nfs/dbraw/zinc/76/76/20/541767620.db2.gz ZOMZFKFHPOVMHC-KRWDZBQOSA-N 1 0 372.513 2.201 50 0 FEAARO O=C(c1cccnc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071498286 541767770 /nfs/dbraw/zinc/76/77/70/541767770.db2.gz JLDMXQMUSRIGFJ-SFHVURJKSA-N 1 0 370.497 2.021 50 0 FEAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2cc(OC)cc(-n3cnnn3)c2)C1 ZINC000071639710 541768705 /nfs/dbraw/zinc/76/87/05/541768705.db2.gz TVRNRVDNUAWWHB-AWEZNQCLSA-N 1 0 353.430 2.056 50 0 FEAARO CC(C)[C@H]1CN(Cc2cccc(OCC(N)=O)c2)CCC[N@@H+]1CC1CC1 ZINC000071707937 541768761 /nfs/dbraw/zinc/76/87/61/541768761.db2.gz IQVKYGOEMHSWCP-HXUWFJFHSA-N 1 0 359.514 2.493 50 0 FEAARO C[NH+](C)[C@H]1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000071745930 541769417 /nfs/dbraw/zinc/76/94/17/541769417.db2.gz ZUYHFPUUYDEAIC-AWEZNQCLSA-N 1 0 361.515 2.158 50 0 FEAARO CCNC(=O)CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071746399 541769675 /nfs/dbraw/zinc/76/96/75/541769675.db2.gz OGEVWXFADWRONR-SFHVURJKSA-N 1 0 363.477 2.411 50 0 FEAARO CCCc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2[nH]c(CC)nc2C)on1 ZINC000071747597 541769929 /nfs/dbraw/zinc/76/99/29/541769929.db2.gz IMOXUJBMANYYLI-HOTGVXAUSA-N 1 0 359.474 2.183 50 0 FEAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(C(N)=O)CC3)c(C)o2)c1 ZINC000071749906 541770056 /nfs/dbraw/zinc/77/00/56/541770056.db2.gz DIPAXOKPDUSCST-UHFFFAOYSA-N 1 0 359.426 2.365 50 0 FEAARO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2c(C)nn(C)c2Cl)CC1 ZINC000071826850 541773244 /nfs/dbraw/zinc/77/32/44/541773244.db2.gz MNRQVSPUDHGYGN-UHFFFAOYSA-N 1 0 360.911 2.019 50 0 FEAARO CCc1ncc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072143012 541787296 /nfs/dbraw/zinc/78/72/96/541787296.db2.gz QWKLPNBZDQWJGO-LJQANCHMSA-N 1 0 350.466 2.354 50 0 FEAARO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C)n[nH]2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072151190 541789584 /nfs/dbraw/zinc/78/95/84/541789584.db2.gz WVGSSNRTQDIIRJ-PWIZWCRZSA-N 1 0 366.465 2.429 50 0 FEAARO CN(C)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072153962 541790571 /nfs/dbraw/zinc/79/05/71/541790571.db2.gz QQKFMLVJCWFTLZ-HXUWFJFHSA-N 1 0 365.477 2.097 50 0 FEAARO Cn1ncc2c1nc(CCc1ccccc1)nc2N1CC[C@H]([NH+](C)C)C1 ZINC000072162236 541792169 /nfs/dbraw/zinc/79/21/69/541792169.db2.gz PHHDALJSDMHYRN-INIZCTEOSA-N 1 0 350.470 2.289 50 0 FEAARO COc1ccccc1[C@@H]1CN(C(=O)c2cccnn2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072163821 541793436 /nfs/dbraw/zinc/79/34/36/541793436.db2.gz LVXOOFXTOSMHKW-PWIZWCRZSA-N 1 0 364.449 2.188 50 0 FEAARO COc1ccc(C)cc1C(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072171247 541796163 /nfs/dbraw/zinc/79/61/63/541796163.db2.gz VTQXTUPMQPEKSN-UXHICEINSA-N 1 0 366.461 2.470 50 0 FEAARO O=C(Nc1cccc(-c2nccs2)c1)N1C[C@@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000072313612 541798708 /nfs/dbraw/zinc/79/87/08/541798708.db2.gz CXYRAJXLGGKQHW-JKSUJKDBSA-N 1 0 358.467 2.483 50 0 FEAARO Cn1ccnc1COc1ccc(C[NH2+]CCn2cnnc2C2CC2)cc1 ZINC000072289955 541797647 /nfs/dbraw/zinc/79/76/47/541797647.db2.gz OBMJLZNVQMXNKU-UHFFFAOYSA-N 1 0 352.442 2.258 50 0 FEAARO Cc1cc([C@H]2CCCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)no1 ZINC000072411407 541807254 /nfs/dbraw/zinc/80/72/54/541807254.db2.gz XMSLNVMQGBCIOB-GOSISDBHSA-N 1 0 357.458 2.359 50 0 FEAARO CN1C[C@]2(CC[N@H+](Cc3c(-c4ccccc4)nc4ncccn34)C2)OC1=O ZINC000072422291 541809262 /nfs/dbraw/zinc/80/92/62/541809262.db2.gz LXKFLSXCQCTXKJ-FQEVSTJZSA-N 1 0 363.421 2.423 50 0 FEAARO CCNc1nc(NCCNS(=O)(=O)c2cc(C)ccc2C)cc(C)[nH+]1 ZINC000072437863 541814359 /nfs/dbraw/zinc/81/43/59/541814359.db2.gz ZUPZXOSWLCEGFF-UHFFFAOYSA-N 1 0 363.487 2.224 50 0 FEAARO CCN1C[C@]2(CCC[N@H+](CCC(=O)NCc3cccs3)C2)CCC1=O ZINC000072467990 541817820 /nfs/dbraw/zinc/81/78/20/541817820.db2.gz IWFKXGHRXVBUJJ-LJQANCHMSA-N 1 0 363.527 2.479 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3cnn4cccnc34)C2)c1 ZINC000072462994 541817922 /nfs/dbraw/zinc/81/79/22/541817922.db2.gz WASPFZPKXOJOIO-INIZCTEOSA-N 1 0 365.437 2.132 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072473809 541818990 /nfs/dbraw/zinc/81/89/90/541818990.db2.gz GDCHQAPMSQCUNI-FQEVSTJZSA-N 1 0 374.525 2.451 50 0 FEAARO CCC1(CC)CCN(c2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000072454157 541815646 /nfs/dbraw/zinc/81/56/46/541815646.db2.gz FSVLDKJWFQDHNJ-CQSZACIVSA-N 1 0 366.531 2.364 50 0 FEAARO C[NH+](C)CCNC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002457599 204039725 /nfs/dbraw/zinc/03/97/25/204039725.db2.gz YMCKWFLGPKZIRM-ZDUSSCGKSA-N 1 0 353.728 2.188 50 0 FEAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000010331926 204010919 /nfs/dbraw/zinc/01/09/19/204010919.db2.gz UNIPRUREMJVEPQ-INIZCTEOSA-N 1 0 369.421 2.081 50 0 FEAARO CCN1C(=O)C[C@@H]([NH+]2CCC(CCc3ccc(OC)c(OC)c3)CC2)C1=O ZINC000004753438 204162127 /nfs/dbraw/zinc/16/21/27/204162127.db2.gz RUOAPPDBLRATTI-QGZVFWFLSA-N 1 0 374.481 2.496 50 0 FEAARO CC[NH+](CC)CC1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000005952382 204232343 /nfs/dbraw/zinc/23/23/43/204232343.db2.gz XZKNXBJAAYUDAD-UHFFFAOYSA-N 1 0 360.907 2.197 50 0 FEAARO CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCC[NH+](C)C)c12 ZINC000006659280 204259348 /nfs/dbraw/zinc/25/93/48/204259348.db2.gz PJVBGNLKHLQHLO-AWEZNQCLSA-N 1 0 360.454 2.499 50 0 FEAARO Cc1c(O[C@@H](C)C(=O)NCCC[NH+](C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000006660130 204259750 /nfs/dbraw/zinc/25/97/50/204259750.db2.gz RNEJENQANFIOKH-AWEZNQCLSA-N 1 0 372.465 2.425 50 0 FEAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccnc1 ZINC000006660598 204260122 /nfs/dbraw/zinc/26/01/22/204260122.db2.gz PGRMCSQFBDIDIG-QGZVFWFLSA-N 1 0 367.380 2.434 50 0 FEAARO O=S(=O)(N[C@H]1CCCC[C@H]1[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000006809594 204272975 /nfs/dbraw/zinc/27/29/75/204272975.db2.gz HTCDBGQRFYGWGB-DLBZAZTESA-N 1 0 372.918 2.386 50 0 FEAARO O=C(c1ccc(Br)o1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008764743 204345187 /nfs/dbraw/zinc/34/51/87/204345187.db2.gz IFJJPMJHTGWLER-UHFFFAOYSA-N 1 0 365.231 2.042 50 0 FEAARO C[NH+](C)CCCN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000008718917 204340655 /nfs/dbraw/zinc/34/06/55/204340655.db2.gz PAMVUEMPMXGBHH-OAHLLOKOSA-N 1 0 373.906 2.313 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)CCn1cnc2sccc2c1=O ZINC000010086206 204390037 /nfs/dbraw/zinc/39/00/37/204390037.db2.gz HIFIAZUUYUAIJP-UHFFFAOYSA-N 1 0 370.478 2.226 50 0 FEAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@H](O)COC(C)(C)C ZINC000036104399 205005178 /nfs/dbraw/zinc/00/51/78/205005178.db2.gz JFZBELKOZTZMPJ-FQEVSTJZSA-N 1 0 364.530 2.305 50 0 FEAARO CC(C)[C@H](CNC(=O)c1cccc(OCC(N)=O)c1)[NH+]1CCC(C)CC1 ZINC000036398187 205016267 /nfs/dbraw/zinc/01/62/67/205016267.db2.gz GIVKMRCVXKCJAC-SFHVURJKSA-N 1 0 361.486 2.037 50 0 FEAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000036636331 205019888 /nfs/dbraw/zinc/01/98/88/205019888.db2.gz DRZFVLFQWVUQGO-UHFFFAOYSA-N 1 0 364.895 2.367 50 0 FEAARO CCOc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000040118912 205057032 /nfs/dbraw/zinc/05/70/32/205057032.db2.gz IAVSFJATAQJDDQ-UHFFFAOYSA-N 1 0 362.470 2.278 50 0 FEAARO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040154252 205060893 /nfs/dbraw/zinc/06/08/93/205060893.db2.gz FZCDEFXZJPTLER-NVXWUHKLSA-N 1 0 371.510 2.412 50 0 FEAARO CCC[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040721190 205077464 /nfs/dbraw/zinc/07/74/64/205077464.db2.gz IWFZKTSKQZSVOU-FQEVSTJZSA-N 1 0 369.465 2.489 50 0 FEAARO CCOc1cc(C[NH2+]CCO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040737893 205078145 /nfs/dbraw/zinc/07/81/45/205078145.db2.gz NADOSBJYEQIXOQ-UHFFFAOYSA-N 1 0 358.438 2.493 50 0 FEAARO Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)c1 ZINC000044887585 205112606 /nfs/dbraw/zinc/11/26/06/205112606.db2.gz BBYMCAMTILCFKT-SFHVURJKSA-N 1 0 357.498 2.368 50 0 FEAARO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738504 205116246 /nfs/dbraw/zinc/11/62/46/205116246.db2.gz BRVKBFYLQGKYNR-CYBMUJFWSA-N 1 0 355.467 2.275 50 0 FEAARO CN1C(=O)C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299740397 205117429 /nfs/dbraw/zinc/11/74/29/205117429.db2.gz ZHCADXYTPLSZEW-IJEWVQPXSA-N 1 0 369.387 2.175 50 0 FEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@H](c1cccnc1)N1CCOCC1 ZINC000055060963 205204336 /nfs/dbraw/zinc/20/43/36/205204336.db2.gz PNGAPEHTONMKQK-HXUWFJFHSA-N 1 0 374.529 2.227 50 0 FEAARO O=C(NCCCN1CCCC1=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000053492818 205193325 /nfs/dbraw/zinc/19/33/25/205193325.db2.gz XVZHNOABXODOSC-INIZCTEOSA-N 1 0 362.474 2.118 50 0 FEAARO CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1COc2ccccc2C1 ZINC000058165877 205252632 /nfs/dbraw/zinc/25/26/32/205252632.db2.gz XJGRNPIMQNXQOB-MRXNPFEDSA-N 1 0 354.450 2.495 50 0 FEAARO CC(=O)N1CCC(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000058179644 205255524 /nfs/dbraw/zinc/25/55/24/205255524.db2.gz DNTHIIBVDZVRLU-FQEVSTJZSA-N 1 0 355.482 2.265 50 0 FEAARO C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000058202433 205259811 /nfs/dbraw/zinc/25/98/11/205259811.db2.gz QSLRUUUOHWSDQL-YOEHRIQHSA-N 1 0 361.511 2.336 50 0 FEAARO CS(=O)(=O)c1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000058267732 205268931 /nfs/dbraw/zinc/26/89/31/205268931.db2.gz QGQVZJFAKQZPNW-UHFFFAOYSA-N 1 0 350.484 2.181 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000058325829 205272114 /nfs/dbraw/zinc/27/21/14/205272114.db2.gz FRHCWOVRQSGBTG-FCEWJHQRSA-N 1 0 358.482 2.264 50 0 FEAARO COc1ccc(CC(=O)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)cc1 ZINC000065288763 205333483 /nfs/dbraw/zinc/33/34/83/205333483.db2.gz BODMOLJYPGKFJJ-IBGZPJMESA-N 1 0 359.514 2.256 50 0 FEAARO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)cc(OC)c1 ZINC000065470059 205353720 /nfs/dbraw/zinc/35/37/20/205353720.db2.gz WPFTVTUELMXARS-OAHLLOKOSA-N 1 0 358.442 2.251 50 0 FEAARO COc1cccc2c1OC[C@@H](n1cnc3sc4c(c3c1=O)CC[NH2+]C4)C2 ZINC000065492725 205355102 /nfs/dbraw/zinc/35/51/02/205355102.db2.gz CUIFEBUPRCPWFQ-LBPRGKRZSA-N 1 0 369.446 2.289 50 0 FEAARO OCC[N@@H+]1CCC[C@H](CNc2ncc3c(n2)CCN3c2ccccc2)C1 ZINC000065505964 205357154 /nfs/dbraw/zinc/35/71/54/205357154.db2.gz YDZGUVSIFCDLAJ-MRXNPFEDSA-N 1 0 353.470 2.287 50 0 FEAARO Cc1ccc(OC2(C(=O)N[C@H](CO)c3ccccc3)CC[NH2+]CC2)cc1 ZINC000065526356 205357918 /nfs/dbraw/zinc/35/79/18/205357918.db2.gz LQHYQBYJCVESBS-LJQANCHMSA-N 1 0 354.450 2.346 50 0 FEAARO O=c1c2c3c(sc2ncn1C[C@@H](O)c1ccccc1Cl)C[NH2+]CC3 ZINC000065369811 205339291 /nfs/dbraw/zinc/33/92/91/205339291.db2.gz YVVVFFMJGQCIEE-CYBMUJFWSA-N 1 0 361.854 2.491 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000067673114 205381141 /nfs/dbraw/zinc/38/11/41/205381141.db2.gz INFKZZONQXLOEU-MRXNPFEDSA-N 1 0 365.543 2.187 50 0 FEAARO CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000067724975 205387751 /nfs/dbraw/zinc/38/77/51/205387751.db2.gz PTSBFLIBUJVYQR-MRXNPFEDSA-N 1 0 363.506 2.405 50 0 FEAARO CC(C)(O)C1CC[NH+](C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067726018 205387778 /nfs/dbraw/zinc/38/77/78/205387778.db2.gz QNJTYBIHJAWOIZ-JOCHJYFZSA-N 1 0 374.525 2.066 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)nn(C)c1=O ZINC000067805656 205391730 /nfs/dbraw/zinc/39/17/30/205391730.db2.gz JNCRZHWXCLDFBA-UHFFFAOYSA-N 1 0 370.457 2.040 50 0 FEAARO Cc1cccn2c(=O)c(C[N@@H+](C[C@H]3CCC(=O)N3)C(C)C)c(Cl)nc12 ZINC000067834024 205396701 /nfs/dbraw/zinc/39/67/01/205396701.db2.gz HPJJCOYFHYBORK-CYBMUJFWSA-N 1 0 362.861 2.145 50 0 FEAARO CCOc1ccc2oc(C)c(C(=O)N3C[C@H]([NH3+])C[C@H]3C(=O)NC(C)C)c2c1 ZINC000067868898 205399842 /nfs/dbraw/zinc/39/98/42/205399842.db2.gz LQENUDPJOZZWOO-CJNGLKHVSA-N 1 0 373.453 2.206 50 0 FEAARO O=C(Cn1ccccc1=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077471565 205603917 /nfs/dbraw/zinc/60/39/17/205603917.db2.gz ZYIXWIVGWBBGTE-UHFFFAOYSA-N 1 0 353.466 2.015 50 0 FEAARO COC(=O)N1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000082096780 205642101 /nfs/dbraw/zinc/64/21/01/205642101.db2.gz JWJZSJXIOABZTG-INIZCTEOSA-N 1 0 365.499 2.403 50 0 FEAARO O=C([C@@H]1CCC[NH2+]1)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091575329 205680327 /nfs/dbraw/zinc/68/03/27/205680327.db2.gz PLIKCKAYHGAVPZ-MEQKGCOVSA-N 1 0 367.493 2.293 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)c1ccc([C@H]3CC[NH2+]C3)cc1)CC2 ZINC000091908113 205703750 /nfs/dbraw/zinc/70/37/50/205703750.db2.gz MKHJRGNPGSQDQN-SFHVURJKSA-N 1 0 355.482 2.238 50 0 FEAARO C[NH+](C)CCCNC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000096232734 205861179 /nfs/dbraw/zinc/86/11/79/205861179.db2.gz XVCWRMKTBBODEQ-UHFFFAOYSA-N 1 0 370.478 2.261 50 0 FEAARO Cc1ccsc1[C@H](CNC(=O)c1ccc2c(c1)ncn2CCO)[NH+](C)C ZINC000097505834 205912426 /nfs/dbraw/zinc/91/24/26/205912426.db2.gz KFVHKOBBZMYITR-KRWDZBQOSA-N 1 0 372.494 2.431 50 0 FEAARO CN(Cc1ccc2nonc2c1)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000097635044 205918255 /nfs/dbraw/zinc/91/82/55/205918255.db2.gz JLEYTXQUJCEKDW-UHFFFAOYSA-N 1 0 358.442 2.072 50 0 FEAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000107104119 206016216 /nfs/dbraw/zinc/01/62/16/206016216.db2.gz QYMPGTPGRGJLPA-HNNXBMFYSA-N 1 0 358.504 2.452 50 0 FEAARO CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236997726 206030934 /nfs/dbraw/zinc/03/09/34/206030934.db2.gz VAJDQRCSUKZWNR-YJBOKZPZSA-N 1 0 356.470 2.488 50 0 FEAARO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237533789 206105312 /nfs/dbraw/zinc/10/53/12/206105312.db2.gz MWAVDKPOSHMWLC-JKIFEVAISA-N 1 0 352.862 2.397 50 0 FEAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000238095466 206113159 /nfs/dbraw/zinc/11/31/59/206113159.db2.gz MNSIVVUQURZQAZ-GOEBONIOSA-N 1 0 373.280 2.334 50 0 FEAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000238010860 206110524 /nfs/dbraw/zinc/11/05/24/206110524.db2.gz ULXSJASGPKGRNO-HCKVZZMMSA-N 1 0 359.253 2.086 50 0 FEAARO COc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OCC(N)=O ZINC000002151351 206152311 /nfs/dbraw/zinc/15/23/11/206152311.db2.gz IHIBEVCEOJFSGU-LJQANCHMSA-N 1 0 351.406 2.276 50 0 biogenic FEAARO CC[NH+](CC)CCCNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005187795 206191143 /nfs/dbraw/zinc/19/11/43/206191143.db2.gz CQHLAIQITKHEBC-KRWDZBQOSA-N 1 0 360.502 2.440 50 0 FEAARO CC(=O)NCCNC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000053140557 206232861 /nfs/dbraw/zinc/23/28/61/206232861.db2.gz VASYUTDZOMGEKN-QGZVFWFLSA-N 1 0 363.508 2.009 50 0 FEAARO Cc1cccc(CN2CC[N@@H+](C3CSCCSC3)C[C@H]2CCO)n1 ZINC000104545214 206238618 /nfs/dbraw/zinc/23/86/18/206238618.db2.gz UHSRYXJWFLOYSR-QGZVFWFLSA-N 1 0 367.584 2.107 50 0 FEAARO CCN1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000172809592 206282331 /nfs/dbraw/zinc/28/23/31/206282331.db2.gz FPQXTPGFNCGDRT-FQEVSTJZSA-N 1 0 359.514 2.400 50 0 FEAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012676701 206295069 /nfs/dbraw/zinc/29/50/69/206295069.db2.gz RGVNYLIKRRJNIM-UGSOOPFHSA-N 1 0 373.478 2.402 50 0 FEAARO NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000012790738 206297618 /nfs/dbraw/zinc/29/76/18/206297618.db2.gz ABHGHMNIBUVHLV-UHFFFAOYSA-N 1 0 359.451 2.182 50 0 FEAARO Cc1cccc2nc(C(=O)N3CCC([NH+]4CCSCC4)CC3)c(F)n21 ZINC000214991532 206342978 /nfs/dbraw/zinc/34/29/78/206342978.db2.gz RIUIFTGUSWYIEV-UHFFFAOYSA-N 1 0 362.474 2.435 50 0 FEAARO CN(CCSc1ccccc1)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000215496262 206346828 /nfs/dbraw/zinc/34/68/28/206346828.db2.gz KJAUDLGGUFSONE-HNNXBMFYSA-N 1 0 359.499 2.142 50 0 FEAARO Cn1cccc1[C@H](CNC(=O)c1ccc(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000021153062 206351620 /nfs/dbraw/zinc/35/16/20/206351620.db2.gz MGLJQHFGJWNFEL-SFHVURJKSA-N 1 0 362.424 2.022 50 0 FEAARO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000216242080 206356957 /nfs/dbraw/zinc/35/69/57/206356957.db2.gz UYAFCLSLRLJGMF-INIZCTEOSA-N 1 0 364.511 2.313 50 0 FEAARO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000216242130 206357078 /nfs/dbraw/zinc/35/70/78/206357078.db2.gz UYAFCLSLRLJGMF-MRXNPFEDSA-N 1 0 364.511 2.313 50 0 FEAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000216286316 206357717 /nfs/dbraw/zinc/35/77/17/206357717.db2.gz GFUFMVPCXRBNBF-OAHLLOKOSA-N 1 0 353.426 2.342 50 0 FEAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccccc2)c2ccc(F)cc2)CC1 ZINC000022783041 206391770 /nfs/dbraw/zinc/39/17/70/206391770.db2.gz KDUWQRFJUOTGGD-HXUWFJFHSA-N 1 0 371.456 2.309 50 0 FEAARO CCNc1nc(C)c(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000219905659 206394100 /nfs/dbraw/zinc/39/41/00/206394100.db2.gz JCHNPIWTFLEQRC-AWEZNQCLSA-N 1 0 352.504 2.257 50 0 FEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000220122405 206397772 /nfs/dbraw/zinc/39/77/72/206397772.db2.gz KJHKEUBYQGYFOS-BVPBIZIASA-N 1 0 363.889 2.388 50 0 FEAARO CCOC(=O)CNC(=O)c1cccc2[nH]cc(C[NH+]3CCSCC3)c21 ZINC000075483597 542182537 /nfs/dbraw/zinc/18/25/37/542182537.db2.gz HXWIAJPTXWCNTG-UHFFFAOYSA-N 1 0 361.467 2.010 50 0 FEAARO O[C@H]1Cc2ccccc2[C@H]1Nc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000077319498 542366477 /nfs/dbraw/zinc/36/64/77/542366477.db2.gz MAJUIRZDBKMUHK-RBUKOAKNSA-N 1 0 359.433 2.255 50 0 FEAARO COc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000077517456 542391704 /nfs/dbraw/zinc/39/17/04/542391704.db2.gz DKWXLOGEYBDUFR-CALCHBBNSA-N 1 0 373.497 2.243 50 0 FEAARO CN(C)Cc1nnc(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)n1C ZINC000077487156 542388337 /nfs/dbraw/zinc/38/83/37/542388337.db2.gz IIYXUOUFQHMLMQ-UHFFFAOYSA-N 1 0 369.473 2.239 50 0 FEAARO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082099638 542683269 /nfs/dbraw/zinc/68/32/69/542683269.db2.gz OHARFWJTBFOLJF-HNNXBMFYSA-N 1 0 356.470 2.286 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1c[nH]cn1 ZINC000082106970 542684586 /nfs/dbraw/zinc/68/45/86/542684586.db2.gz HDTIYPCVKYDMDS-HXUWFJFHSA-N 1 0 353.470 2.252 50 0 FEAARO COc1ccccc1N1CCN(C(=O)CC[C@@H](C)[NH+]2CCCC2)CC1=O ZINC000082135007 132196809 /nfs/dbraw/zinc/19/68/09/132196809.db2.gz SOASSVZGYBSILG-MRXNPFEDSA-N 1 0 359.470 2.135 50 0 FEAARO COCCn1ccnc1C1CCN(c2nc(N(C)C)[nH+]c(C)c2C)CC1 ZINC000091505526 132202153 /nfs/dbraw/zinc/20/21/53/132202153.db2.gz CMADBXAOVYSEOE-UHFFFAOYSA-N 1 0 358.490 2.386 50 0 FEAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2ncccn2)CC1 ZINC000091877293 132204710 /nfs/dbraw/zinc/20/47/10/132204710.db2.gz VIEXBWWFMGWCFI-ZWKOTPCHSA-N 1 0 357.502 2.170 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000096161839 132221423 /nfs/dbraw/zinc/22/14/23/132221423.db2.gz VNKCZPONWXJIMA-HNNXBMFYSA-N 1 0 361.467 2.285 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(C(=O)C2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000237218027 132247228 /nfs/dbraw/zinc/24/72/28/132247228.db2.gz YUBNKJKJWDFEBO-AWEZNQCLSA-N 1 0 350.894 2.409 50 0 FEAARO Cn1ccnc1[C@H]1CCC[N@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000244626633 132289950 /nfs/dbraw/zinc/28/99/50/132289950.db2.gz FPNRIXWDEDGDKC-IBGZPJMESA-N 1 0 353.514 2.422 50 0 FEAARO O[C@]1(c2ccccc2)CC[N@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000252504204 132293119 /nfs/dbraw/zinc/29/31/19/132293119.db2.gz VIFAEVWQUMRENH-JOCHJYFZSA-N 1 0 351.494 2.402 50 0 FEAARO CO[C@]12CC[N@H+](CC(=O)N3CCCc4cc(C)ccc43)[C@H]1C[C@@H](O)CC2 ZINC000299794404 132300289 /nfs/dbraw/zinc/30/02/89/132300289.db2.gz JAMNKPVSCWZYTA-HFSMHLIXSA-N 1 0 358.482 2.279 50 0 FEAARO COCCN1C[C@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC1=O ZINC000299795018 132300317 /nfs/dbraw/zinc/30/03/17/132300317.db2.gz KPQUGPXKJJQLCU-INIZCTEOSA-N 1 0 365.905 2.265 50 0 FEAARO CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000089314019 542760816 /nfs/dbraw/zinc/76/08/16/542760816.db2.gz HVHGFHYKPUJSLH-LSDHHAIUSA-N 1 0 363.527 2.470 50 0 FEAARO COCCN1CC[C@]2(C[N@H+](CCCc3ccccc3)CCN2C)CCC1=O ZINC000091452537 542807865 /nfs/dbraw/zinc/80/78/65/542807865.db2.gz HLFDRVKUMVZZEZ-QFIPXVFZSA-N 1 0 373.541 2.264 50 0 FEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1ccc(O)c(Cl)c1)CC2 ZINC000091505190 542811021 /nfs/dbraw/zinc/81/10/21/542811021.db2.gz XDUXSXAWUFWYFV-UHFFFAOYSA-N 1 0 374.872 2.317 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 ZINC000091535606 542811368 /nfs/dbraw/zinc/81/13/68/542811368.db2.gz JSMUMHCJUFUEDF-FQEVSTJZSA-N 1 0 369.469 2.139 50 0 FEAARO C[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@]12CCNC(=O)CC2 ZINC000091624894 542816794 /nfs/dbraw/zinc/81/67/94/542816794.db2.gz ITIFCDSTWOFATK-FQEVSTJZSA-N 1 0 354.454 2.128 50 0 FEAARO Cc1cccc2nc(C[N@H+]3CC[C@@]4(C3)CCCN(C(C)C)C4=O)cc(=O)n12 ZINC000091663987 542818614 /nfs/dbraw/zinc/81/86/14/542818614.db2.gz JLPAREKVDBYUER-OAQYLSRUSA-N 1 0 368.481 2.226 50 0 FEAARO CCC[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1NC(=O)Cc1c(C)nc(N)nc1C ZINC000091663519 542818628 /nfs/dbraw/zinc/81/86/28/542818628.db2.gz TXSBGHRCIFAJJD-YJBOKZPZSA-N 1 0 359.518 2.377 50 0 FEAARO COc1ccc([C@@H]2C[N@H+](Cc3[nH]cc(C)c(=O)c3C)C[C@H]2NC(C)=O)cc1 ZINC000091664280 542818804 /nfs/dbraw/zinc/81/88/04/542818804.db2.gz VFGXUDMXZLCRHX-AZUAARDMSA-N 1 0 369.465 2.104 50 0 FEAARO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1c(Cl)cncc1Cl)C2 ZINC000091656745 542818889 /nfs/dbraw/zinc/81/88/89/542818889.db2.gz UNCOAUFSAQORAV-QWHCGFSZSA-N 1 0 371.312 2.373 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(c3ccc4ccccc4n3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091662960 542819221 /nfs/dbraw/zinc/81/92/21/542819221.db2.gz ZLMRUBRRHFRQJB-UKBAYJJMSA-N 1 0 355.482 2.389 50 0 FEAARO CCCc1nnsc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC ZINC000091678727 542819560 /nfs/dbraw/zinc/81/95/60/542819560.db2.gz FNFICKALBJQGGW-UHFFFAOYSA-N 1 0 374.514 2.223 50 0 FEAARO C[N@@H+]1CCN(Cc2ccc(CCC(C)(C)O)cc2)C[C@]12CCNC(=O)CC2 ZINC000091713583 542821322 /nfs/dbraw/zinc/82/13/22/542821322.db2.gz KPIFKOHTJUFMFP-QFIPXVFZSA-N 1 0 373.541 2.176 50 0 FEAARO Cc1c(F)cccc1C[NH+]1CCC(c2nnc(Cn3cncn3)n2C)CC1 ZINC000091770332 542825477 /nfs/dbraw/zinc/82/54/77/542825477.db2.gz UFJHMSULXPUYAF-UHFFFAOYSA-N 1 0 369.448 2.282 50 0 FEAARO CCn1nc(CC(C)C)cc1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000091818603 542826671 /nfs/dbraw/zinc/82/66/71/542826671.db2.gz NTAYMCGXQGMRTI-UHFFFAOYSA-N 1 0 362.518 2.475 50 0 FEAARO COc1cc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)ccc1F ZINC000091808513 542826975 /nfs/dbraw/zinc/82/69/75/542826975.db2.gz WYUGRKFGWZRTSQ-MJGOQNOKSA-N 1 0 366.477 2.130 50 0 FEAARO CCc1ccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)nc1 ZINC000091872487 542830296 /nfs/dbraw/zinc/83/02/96/542830296.db2.gz FVYOZHNIIABUND-UHFFFAOYSA-N 1 0 365.485 2.397 50 0 FEAARO COc1cc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)c(C(C)=O)cc1OC ZINC000091876771 542830366 /nfs/dbraw/zinc/83/03/66/542830366.db2.gz FBLWAKCYZWQCEH-GDBMZVCRSA-N 1 0 360.454 2.002 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000092065748 542842895 /nfs/dbraw/zinc/84/28/95/542842895.db2.gz AYHFUQFHAHTFEN-KGLIPLIRSA-N 1 0 372.868 2.128 50 0 FEAARO Cc1ccc(C)c2c(=O)cc(CN3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)[nH]c12 ZINC000091933163 542833266 /nfs/dbraw/zinc/83/32/66/542833266.db2.gz HAWHAPNOFKWYIB-WIYYLYMNSA-N 1 0 355.482 2.494 50 0 FEAARO CCN(CC[NH+]1CCCCCC1)C(=O)C1CCN(c2ncccn2)CC1 ZINC000055226073 136126193 /nfs/dbraw/zinc/12/61/93/136126193.db2.gz XRQKOZFQFUBPGT-UHFFFAOYSA-N 1 0 359.518 2.418 50 0 FEAARO Cc1ccn(CCC(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)n1 ZINC000095368035 542961880 /nfs/dbraw/zinc/96/18/80/542961880.db2.gz WGICACMGMXGDBN-UHFFFAOYSA-N 1 0 372.517 2.136 50 0 FEAARO CN1CC(=O)Nc2cc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)ccc21 ZINC000058295478 136131411 /nfs/dbraw/zinc/13/14/11/136131411.db2.gz SJJDSGBWXFXPQB-UHFFFAOYSA-N 1 0 366.465 2.279 50 0 FEAARO C[C@@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000070895795 136138525 /nfs/dbraw/zinc/13/85/25/136138525.db2.gz JIEOVQHCIGCBNL-MRXNPFEDSA-N 1 0 366.465 2.292 50 0 FEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1C ZINC000071759450 136140521 /nfs/dbraw/zinc/14/05/21/136140521.db2.gz JAPVYLLLFVUZCN-MRXNPFEDSA-N 1 0 357.502 2.053 50 0 FEAARO OCC[C@H]1CN(c2ncnc3c2CCC3)CC[N@@H+]1CCCc1ccccc1 ZINC000072456751 136148535 /nfs/dbraw/zinc/14/85/35/136148535.db2.gz WEUFOWSEPHNSNN-IBGZPJMESA-N 1 0 366.509 2.471 50 0 FEAARO O=C(NCCCn1nccc1C1CC1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095373041 542964045 /nfs/dbraw/zinc/96/40/45/542964045.db2.gz DIJRPZXSSINWRP-KRWDZBQOSA-N 1 0 360.502 2.158 50 0 FEAARO CN1CC[C@@]2(CN(Cc3cccc(-n4cccn4)c3)CC[N@@H+]2C)CCC1=O ZINC000095355125 542958334 /nfs/dbraw/zinc/95/83/34/542958334.db2.gz BHISJXMRZCLDAC-OAQYLSRUSA-N 1 0 367.497 2.001 50 0 FEAARO CCc1ccccc1C[N@H+]1C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C1 ZINC000095354198 542958509 /nfs/dbraw/zinc/95/85/09/542958509.db2.gz PRBHJUKVTRYMHL-ZWKOTPCHSA-N 1 0 353.532 2.101 50 0 FEAARO O=c1cc(C[NH2+]CCCc2nnc3ccccn32)[nH]c2ccc(F)cc12 ZINC000095357478 542958913 /nfs/dbraw/zinc/95/89/13/542958913.db2.gz DHBWDAGTQIJXAE-UHFFFAOYSA-N 1 0 351.385 2.432 50 0 FEAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000095386438 542965983 /nfs/dbraw/zinc/96/59/83/542965983.db2.gz PJGGATGXSCSASF-SFHVURJKSA-N 1 0 351.441 2.483 50 0 FEAARO CC1(C(=O)N2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)CC[NH2+]CC1 ZINC000095386415 542966246 /nfs/dbraw/zinc/96/62/46/542966246.db2.gz OTNZWDNDQXKDPA-QGZVFWFLSA-N 1 0 355.482 2.041 50 0 FEAARO CN(C)C(=O)[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000095378089 542964674 /nfs/dbraw/zinc/96/46/74/542964674.db2.gz JKYWNLQQOZXBPK-LJQANCHMSA-N 1 0 369.465 2.437 50 0 FEAARO Cc1noc(C)c1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095377840 542964687 /nfs/dbraw/zinc/96/46/87/542964687.db2.gz IEMFPHWECQBXSA-UHFFFAOYSA-N 1 0 359.474 2.459 50 0 FEAARO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@H]3CC(N)=O)ccc2c1 ZINC000095466745 542971991 /nfs/dbraw/zinc/97/19/91/542971991.db2.gz YEFUGSDBGWDBSM-SFHVURJKSA-N 1 0 369.465 2.147 50 0 FEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095511100 542976815 /nfs/dbraw/zinc/97/68/15/542976815.db2.gz TZYMPCPPWDHTDU-MRXNPFEDSA-N 1 0 361.442 2.176 50 0 FEAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1ccco1 ZINC000096024224 542987575 /nfs/dbraw/zinc/98/75/75/542987575.db2.gz AQODERVTVCONFE-UHFFFAOYSA-N 1 0 366.421 2.015 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1nc(C)cc1C)CC2 ZINC000095520237 542979238 /nfs/dbraw/zinc/97/92/38/542979238.db2.gz XAEXQEXEDSFJLS-UHFFFAOYSA-N 1 0 370.501 2.009 50 0 FEAARO Cc1cnn(Cc2nc(CC3CC[NH+](C)CC3)nn2CC(F)(F)F)c1 ZINC000096160416 542994675 /nfs/dbraw/zinc/99/46/75/542994675.db2.gz ZUETXFOTHKVCRQ-UHFFFAOYSA-N 1 0 356.396 2.278 50 0 FEAARO CN1CCN(C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)CC12CC[NH2+]CC2 ZINC000096180568 542994981 /nfs/dbraw/zinc/99/49/81/542994981.db2.gz YBEPOYZPZLFSIR-OAQYLSRUSA-N 1 0 359.489 2.390 50 0 FEAARO Cc1nc2c(c(NCC3(O)CC[NH+](C)CC3)n1)Cc1ccccc1OC2 ZINC000096166676 542995147 /nfs/dbraw/zinc/99/51/47/542995147.db2.gz DAUPVISXBZBUBV-UHFFFAOYSA-N 1 0 354.454 2.137 50 0 FEAARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)NCc1cccnc1)CC2 ZINC000096232285 542996940 /nfs/dbraw/zinc/99/69/40/542996940.db2.gz YAEAQDYHORKGST-UHFFFAOYSA-N 1 0 355.438 2.163 50 0 FEAARO COc1cccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)C2CC2)c1 ZINC000096287541 542997926 /nfs/dbraw/zinc/99/79/26/542997926.db2.gz LDVSYLZHERHYJE-UHFFFAOYSA-N 1 0 372.469 2.139 50 0 FEAARO CN1CC[NH2+][C@H](CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000097166257 543006495 /nfs/dbraw/zinc/00/64/95/543006495.db2.gz DFHHANKUUCAPNB-OAHLLOKOSA-N 1 0 363.383 2.404 50 0 FEAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000097759467 543015750 /nfs/dbraw/zinc/01/57/50/543015750.db2.gz NGFZKDJMKYOQRQ-SFHVURJKSA-N 1 0 367.449 2.059 50 0 FEAARO CC1CC[NH+](Cc2cc(=O)n3nc(NCc4cccs4)[nH]c3n2)CC1 ZINC000101797069 543045715 /nfs/dbraw/zinc/04/57/15/543045715.db2.gz VLERHZPNFBYYDG-UHFFFAOYSA-N 1 0 358.471 2.323 50 0 FEAARO O=C(NCc1cccnc1)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000102682460 543077167 /nfs/dbraw/zinc/07/71/67/543077167.db2.gz CMAHALVGSTTYHI-AERCQKQUSA-N 1 0 373.460 2.262 50 0 FEAARO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000109401531 543324149 /nfs/dbraw/zinc/32/41/49/543324149.db2.gz IXPNFGJNIUCSRN-CQSZACIVSA-N 1 0 363.849 2.278 50 0 FEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000125025890 543856595 /nfs/dbraw/zinc/85/65/95/543856595.db2.gz AHNNPGYDKTTZQM-OAHLLOKOSA-N 1 0 350.422 2.347 50 0 FEAARO [NH3+][C@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 ZINC000132379938 544229125 /nfs/dbraw/zinc/22/91/25/544229125.db2.gz ITZWCRMROXPJKS-QMMMGPOBSA-N 1 0 359.739 2.113 50 0 FEAARO COc1ccc(C2(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)CCCC2)cc1OC ZINC000426628712 263647219 /nfs/dbraw/zinc/64/72/19/263647219.db2.gz DWDNCIXSEMGADD-GJZGRUSLSA-N 1 0 350.434 2.332 50 0 FEAARO Cc1nn(CCC(N)=O)c(C)c1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000426656944 263652042 /nfs/dbraw/zinc/65/20/42/263652042.db2.gz LWIIDLGYPRVJDI-HNNXBMFYSA-N 1 0 356.470 2.436 50 0 FEAARO Cn1c(=O)[nH]c2ccc(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)cc21 ZINC000132861722 326598970 /nfs/dbraw/zinc/59/89/70/326598970.db2.gz RLSKDKCEJPGMLE-UHFFFAOYSA-N 1 0 368.437 2.196 50 0 FEAARO Cc1c(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)nnn1C1CC[NH2+]CC1 ZINC000166885637 327083040 /nfs/dbraw/zinc/08/30/40/327083040.db2.gz XLRBAGANOCOQOL-UHFFFAOYSA-N 1 0 351.414 2.153 50 0 FEAARO O=C(c1cccn1Cc1cccs1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174166008 327309990 /nfs/dbraw/zinc/30/99/90/327309990.db2.gz YBFLPJVARCPSMT-MRXNPFEDSA-N 1 0 359.495 2.392 50 0 FEAARO CC(=O)NCCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091604289 519654329 /nfs/dbraw/zinc/65/43/29/519654329.db2.gz HRDFHORRMBASMB-LEWJYISDSA-N 1 0 371.525 2.458 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000091656616 519684620 /nfs/dbraw/zinc/68/46/20/519684620.db2.gz RXUINWFMRIXMIH-IBGZPJMESA-N 1 0 363.477 2.364 50 0 FEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000159094176 522082555 /nfs/dbraw/zinc/08/25/55/522082555.db2.gz YQTYDKTZTYWJSC-LLVKDONJSA-N 1 0 364.389 2.052 50 0 FEAARO CN(CC1(CO)CCOCC1)C(=O)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000091574822 522597389 /nfs/dbraw/zinc/59/73/89/522597389.db2.gz IMRZHZCJFSVXBO-SFHVURJKSA-N 1 0 360.498 2.090 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1F ZINC000082092779 524030224 /nfs/dbraw/zinc/03/02/24/524030224.db2.gz FTLGQSZKJUVHQC-FQEVSTJZSA-N 1 0 364.461 2.421 50 0 FEAARO Cc1ccc(CN2CC[N@@H+](C3CSCCSC3)C[C@@H]2CCO)o1 ZINC000019792439 524459400 /nfs/dbraw/zinc/45/94/00/524459400.db2.gz HMKFDAAJJCOFEL-HNNXBMFYSA-N 1 0 356.557 2.305 50 0 FEAARO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000252452654 525942935 /nfs/dbraw/zinc/94/29/35/525942935.db2.gz UJDOSTDOCAAGFC-CRAIPNDOSA-N 1 0 350.434 2.306 50 0 FEAARO c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc(OCCCN2CCOCC2)c1 ZINC000244796118 526425153 /nfs/dbraw/zinc/42/51/53/526425153.db2.gz RTGROBDWYYWBBZ-NRFANRHFSA-N 1 0 373.541 2.458 50 0 FEAARO c1ccc(CCc2noc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000020449175 526466486 /nfs/dbraw/zinc/46/64/86/526466486.db2.gz CVBWIGUGUISFFY-IBGZPJMESA-N 1 0 370.497 2.399 50 0 FEAARO O=C(COc1ccc(F)cc1F)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000091548756 526961414 /nfs/dbraw/zinc/96/14/14/526961414.db2.gz GOPHBAGEJIWPED-OAHLLOKOSA-N 1 0 354.397 2.057 50 0 FEAARO [NH3+]CC(=O)N1CCC[C@H]1c1ccc(C(=O)NCCOc2ccccc2)s1 ZINC000019852846 527157050 /nfs/dbraw/zinc/15/70/50/527157050.db2.gz BKSHHYUKXLRGOG-HNNXBMFYSA-N 1 0 373.478 2.179 50 0 FEAARO Cc1ncc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)s1 ZINC000020539204 527256941 /nfs/dbraw/zinc/25/69/41/527256941.db2.gz YYLJQFCPNMRJND-SFHVURJKSA-N 1 0 366.575 2.193 50 0 FEAARO Cc1nccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091678309 527393056 /nfs/dbraw/zinc/39/30/56/527393056.db2.gz PMADDAZYIPRVNF-AZUAARDMSA-N 1 0 367.497 2.490 50 0 FEAARO OCCc1cn(C[C@@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000020783929 527574581 /nfs/dbraw/zinc/57/45/81/527574581.db2.gz XVBKEADKZYOTGR-CQSZACIVSA-N 1 0 357.483 2.335 50 0 FEAARO CC(C)([NH3+])C(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000067774775 535195570 /nfs/dbraw/zinc/19/55/70/535195570.db2.gz BBRZQRYEMAHBNJ-UHFFFAOYSA-N 1 0 365.481 2.018 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccco1 ZINC000058251143 535670863 /nfs/dbraw/zinc/67/08/63/535670863.db2.gz LQNSASNFVCZISG-QGZVFWFLSA-N 1 0 371.485 2.485 50 0 FEAARO CCOCCOC[C@H](O)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000170611858 546164995 /nfs/dbraw/zinc/16/49/95/546164995.db2.gz HYYOOBDIHLLRSO-LJQANCHMSA-N 1 0 366.502 2.061 50 0 FEAARO CN(C(=O)c1ncoc1-c1ccc2c(c1)OCCO2)[C@@H]1CCC[N@H+](C)C1 ZINC000173914497 546288499 /nfs/dbraw/zinc/28/84/99/546288499.db2.gz IYWLLHGSGSGQIH-CQSZACIVSA-N 1 0 357.410 2.279 50 0 FEAARO CC(C)N1CCC[C@H]([N@H+](C)C2CCN(CCc3ccccn3)CC2)C1=O ZINC000192614732 548367478 /nfs/dbraw/zinc/36/74/78/548367478.db2.gz PGOFXIJWRKKSGV-FQEVSTJZSA-N 1 0 358.530 2.420 50 0 FEAARO C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CCCc3cccnc32)ccn1 ZINC000194789753 548531893 /nfs/dbraw/zinc/53/18/93/548531893.db2.gz NSGBNCPDLYXJEK-KRWDZBQOSA-N 1 0 354.454 2.153 50 0 FEAARO CC1(CO)CC[NH+](Cc2ccc(OCCCN3CCOCC3)cc2)CC1 ZINC000215125851 548668201 /nfs/dbraw/zinc/66/82/01/548668201.db2.gz MOYUEYLUYLYRNF-UHFFFAOYSA-N 1 0 362.514 2.382 50 0 FEAARO COc1cc2c(cc1C(=O)N[C@H]1[C@H]3CCO[C@H]3[C@@H]1[NH+]1CCCC1)CCC2 ZINC000222642663 548710915 /nfs/dbraw/zinc/71/09/15/548710915.db2.gz NFFUPHVVRULNPA-XWPNQZOQSA-N 1 0 356.466 2.165 50 0 FEAARO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000229379822 548755857 /nfs/dbraw/zinc/75/58/57/548755857.db2.gz NPYRQPCFLVIMLZ-DOTOQJQBSA-N 1 0 360.502 2.206 50 0 FEAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000236822143 548782670 /nfs/dbraw/zinc/78/26/70/548782670.db2.gz IKCGDTCVZAXQMA-FQEVSTJZSA-N 1 0 371.481 2.307 50 0 FEAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH+]2CCC(NC(=O)C3CC3)CC2)C1 ZINC000239654041 548884001 /nfs/dbraw/zinc/88/40/01/548884001.db2.gz BMLDIMCRLHUMDP-YWZLYKJASA-N 1 0 363.502 2.234 50 0 FEAARO CCn1c(CN(C)Cc2nc3c(cccc3C)[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244691593 548893025 /nfs/dbraw/zinc/89/30/25/548893025.db2.gz JFNZDPOEXQDOKG-OKILXGFUSA-N 1 0 353.474 2.319 50 0 FEAARO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246274090 549093465 /nfs/dbraw/zinc/09/34/65/549093465.db2.gz ZFBBRBQUBYFJNO-APWZRJJASA-N 1 0 367.497 2.451 50 0 FEAARO CCc1nn2c(nc(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)cc2=O)s1 ZINC000252495592 549669826 /nfs/dbraw/zinc/66/98/26/549669826.db2.gz OUDMBIGZTRSIHO-AWEZNQCLSA-N 1 0 356.451 2.149 50 0 FEAARO COc1ccccc1-c1cccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000252501307 549670133 /nfs/dbraw/zinc/67/01/33/549670133.db2.gz UDRYIWQJZKQJJW-LJQANCHMSA-N 1 0 365.477 2.482 50 0 FEAARO Cc1ccsc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000252505394 549671007 /nfs/dbraw/zinc/67/10/07/549671007.db2.gz VQRCSGBANLJLOL-IPFXWSOASA-N 1 0 367.518 2.354 50 0 FEAARO COC(=O)C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000253426724 549688241 /nfs/dbraw/zinc/68/82/41/549688241.db2.gz ILHXAOISKAWNBE-HNNXBMFYSA-N 1 0 350.434 2.416 50 0 FEAARO COC(=O)C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000253429859 549688691 /nfs/dbraw/zinc/68/86/91/549688691.db2.gz VAIHBPUNPRUAOB-HNNXBMFYSA-N 1 0 350.434 2.449 50 0 FEAARO COCCc1nncn1C1CN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000257177068 549711523 /nfs/dbraw/zinc/71/15/23/549711523.db2.gz VPWLIKMHPFBPDL-UHFFFAOYSA-N 1 0 356.348 2.423 50 0 FEAARO COc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)CC2)cc1 ZINC000257184813 549713622 /nfs/dbraw/zinc/71/36/22/549713622.db2.gz IYHJWNWAUYXAQP-SFHVURJKSA-N 1 0 361.486 2.339 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262640908 549834868 /nfs/dbraw/zinc/83/48/68/549834868.db2.gz ZNGVVYXIMCBYNH-UBHSHLNASA-N 1 0 360.376 2.031 50 0 FEAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cccc(N)n3)cc2)C[C@H](C)O1 ZINC000272300196 550435774 /nfs/dbraw/zinc/43/57/74/550435774.db2.gz GYGFTMKQWBRKHA-GASCZTMLSA-N 1 0 354.454 2.203 50 0 FEAARO c1ccc(N2CC[NH+](C[C@H]3CCCN(c4nnc(C5CC5)o4)C3)CC2)nc1 ZINC000278297982 550770255 /nfs/dbraw/zinc/77/02/55/550770255.db2.gz GPKFXAZBYWZNSS-MRXNPFEDSA-N 1 0 368.485 2.381 50 0 FEAARO c1ccc(N2CC[NH+](C[C@@H]3CCCN(c4nnc(C5CC5)o4)C3)CC2)nc1 ZINC000278297976 550770330 /nfs/dbraw/zinc/77/03/30/550770330.db2.gz GPKFXAZBYWZNSS-INIZCTEOSA-N 1 0 368.485 2.381 50 0 FEAARO CO[C@H]1C[C@@H](CN(C)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)[N@H+](C)C1 ZINC000284887097 551659080 /nfs/dbraw/zinc/65/90/80/551659080.db2.gz RKVSEXGFALBEOU-STQMWFEESA-N 1 0 350.488 2.165 50 0 FEAARO Cc1ncc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c(C(C)C)n1 ZINC000286263722 551867361 /nfs/dbraw/zinc/86/73/61/551867361.db2.gz SWILDYJICNBYIM-HNAYVOBHSA-N 1 0 370.501 2.455 50 0 FEAARO O=C(NCCCN1CCOCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299754939 553610448 /nfs/dbraw/zinc/61/04/48/553610448.db2.gz CXZQKUZJJHDLQO-ZCNNSNEGSA-N 1 0 357.498 2.051 50 0 FEAARO CCOc1cc(C[NH+]2CCC3(CC[C@H](CNC(C)=O)O3)CC2)ccc1O ZINC000299756499 553611019 /nfs/dbraw/zinc/61/10/19/553611019.db2.gz GAXIZGFMRZFFQB-QGZVFWFLSA-N 1 0 362.470 2.441 50 0 FEAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 ZINC000299760711 553611648 /nfs/dbraw/zinc/61/16/48/553611648.db2.gz JMLNRIOVRNZOAC-IBGZPJMESA-N 1 0 359.514 2.474 50 0 FEAARO CC1(C)C[C@H](C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)CCO1 ZINC000299764331 553611915 /nfs/dbraw/zinc/61/19/15/553611915.db2.gz RQDDLLAEIQHDNS-OAHLLOKOSA-N 1 0 356.474 2.306 50 0 FEAARO Cn1nc(C(C)(C)C)cc1NC(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299768809 553612263 /nfs/dbraw/zinc/61/22/63/553612263.db2.gz MLNDGFMRYCUFDR-HNNXBMFYSA-N 1 0 363.506 2.436 50 0 FEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](CC(=O)NCc3ccccc3F)[C@H]2C1 ZINC000299768774 553612271 /nfs/dbraw/zinc/61/22/71/553612271.db2.gz ZBJVCQHQFODSII-HHXXYDBFSA-N 1 0 350.434 2.100 50 0 FEAARO COc1ccc(CCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1OC ZINC000299788237 553614576 /nfs/dbraw/zinc/61/45/76/553614576.db2.gz RFYONIXQUYNJCS-IRXDYDNUSA-N 1 0 362.470 2.006 50 0 FEAARO O=C(Cc1ccc(F)c(F)c1F)NC1CC[NH+](C2CCOCC2)CC1 ZINC000299802299 553616326 /nfs/dbraw/zinc/61/63/26/553616326.db2.gz KIQYCVGHNKOMHW-UHFFFAOYSA-N 1 0 356.388 2.406 50 0 FEAARO NC(=O)c1cncc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000301726953 553674636 /nfs/dbraw/zinc/67/46/36/553674636.db2.gz VNQMISFMNIGETH-SJLPKXTDSA-N 1 0 351.454 2.066 50 0 FEAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC(C)(C)C2=CCCC2)CC1 ZINC000333909542 554654923 /nfs/dbraw/zinc/65/49/23/554654923.db2.gz WMHJYSCEPFMTNS-KRWDZBQOSA-N 1 0 362.518 2.071 50 0 FEAARO CN1CCC([N@@H+]2C[C@@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000409420259 558690816 /nfs/dbraw/zinc/69/08/16/558690816.db2.gz SSMXKRAPAPQZOG-IBGZPJMESA-N 1 0 359.514 2.421 50 0 FEAARO O=C(c1ccc(-c2ccc(O)cc2F)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000426487958 559735508 /nfs/dbraw/zinc/73/55/08/559735508.db2.gz IGCFTNMGQHQNQJ-KRWDZBQOSA-N 1 0 369.440 2.318 50 0 FEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(-c2ncccn2)cc1 ZINC000426496778 559735912 /nfs/dbraw/zinc/73/59/12/559735912.db2.gz DMZLYXDDSMJHBI-GOSISDBHSA-N 1 0 354.454 2.326 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000426496637 559735979 /nfs/dbraw/zinc/73/59/79/559735979.db2.gz FGWWBJPUELIXMP-CYBMUJFWSA-N 1 0 370.453 2.325 50 0 FEAARO Cc1cccc(=O)n1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426504492 559736042 /nfs/dbraw/zinc/73/60/42/559736042.db2.gz OFJKJVWRIUDULY-UHFFFAOYSA-N 1 0 353.466 2.459 50 0 FEAARO Cc1nn(CCNC(=O)c2cc(F)ccc2OCCC[NH3+])c(C)c1Cl ZINC000426519421 559736633 /nfs/dbraw/zinc/73/66/33/559736633.db2.gz ZJHJNVNGEMXGEZ-UHFFFAOYSA-N 1 0 368.840 2.450 50 0 FEAARO NC(=O)c1cncc(N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)n1 ZINC000426555343 559737705 /nfs/dbraw/zinc/73/77/05/559737705.db2.gz AQCJGNLLKIUGRF-FQEVSTJZSA-N 1 0 357.502 2.448 50 0 FEAARO [NH3+]CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426647084 559739603 /nfs/dbraw/zinc/73/96/03/559739603.db2.gz LBQAPIDFYGYGPS-LJQANCHMSA-N 1 0 365.424 2.045 50 0 FEAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1 ZINC000426693737 559740453 /nfs/dbraw/zinc/74/04/53/559740453.db2.gz NVYNJJPDSSGEEK-JOCHJYFZSA-N 1 0 364.445 2.401 50 0 FEAARO Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc([C@@H]2CCOC2)n1 ZINC000426693661 559740493 /nfs/dbraw/zinc/74/04/93/559740493.db2.gz FJUVCCNSFDKRRP-GOSISDBHSA-N 1 0 367.497 2.309 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000426701598 559740625 /nfs/dbraw/zinc/74/06/25/559740625.db2.gz LPBQPCRXNFKFLZ-OAHLLOKOSA-N 1 0 373.419 2.468 50 0 FEAARO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3cccc(C)c3)C(=O)C2)CC1 ZINC000426711141 559740764 /nfs/dbraw/zinc/74/07/64/559740764.db2.gz CGMNUKICGMPMGI-UHFFFAOYSA-N 1 0 372.513 2.223 50 0 FEAARO COc1ccc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1OCC[NH3+] ZINC000426722325 559740943 /nfs/dbraw/zinc/74/09/43/559740943.db2.gz BIQXQSFTBLOWLY-HNNXBMFYSA-N 1 0 369.343 2.461 50 0 FEAARO CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCOC(C)(C)C1 ZINC000426765092 559741587 /nfs/dbraw/zinc/74/15/87/559741587.db2.gz BZMBCBBUCOSIND-KRWDZBQOSA-N 1 0 360.502 2.253 50 0 FEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)C1 ZINC000534588303 562537564 /nfs/dbraw/zinc/53/75/64/562537564.db2.gz RKQFGGZQOGIFRW-INIZCTEOSA-N 1 0 373.501 2.371 50 0 FEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)NCCc1nc(C2CC2)no1 ZINC000584901497 570510451 /nfs/dbraw/zinc/51/04/51/570510451.db2.gz LRXZJMFQWPQHNK-KRWDZBQOSA-N 1 0 369.469 2.188 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1(n2cnnn2)CCCCC1 ZINC000409414775 570588911 /nfs/dbraw/zinc/58/89/11/570588911.db2.gz ODUXDEQINCLRPD-DLBZAZTESA-N 1 0 360.506 2.055 50 0 FEAARO CO[C@]12CCN(C(=O)C[NH+]3CCCCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426434552 570605365 /nfs/dbraw/zinc/60/53/65/570605365.db2.gz UZWDWLJCKSMLHU-BBTUJRGHSA-N 1 0 373.497 2.485 50 0 FEAARO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)cc1 ZINC000065256997 570834687 /nfs/dbraw/zinc/83/46/87/570834687.db2.gz FLRAJHJHBRXNPU-GOSISDBHSA-N 1 0 366.465 2.351 50 0 FEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000048260619 570938604 /nfs/dbraw/zinc/93/86/04/570938604.db2.gz AHYMRPCMCBMUSY-UHFFFAOYSA-N 1 0 356.426 2.449 50 0 FEAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946445 570966611 /nfs/dbraw/zinc/96/66/11/570966611.db2.gz YGMHZJSMAJQRAU-INIZCTEOSA-N 1 0 351.466 2.284 50 0 FEAARO c1cc(-c2noc(-c3cncnc3NCC[NH+]3CCCCC3)n2)ccn1 ZINC000263615491 571045894 /nfs/dbraw/zinc/04/58/94/571045894.db2.gz CSDYWGBEOPSFIN-UHFFFAOYSA-N 1 0 351.414 2.486 50 0 FEAARO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(=O)N1CCc2ccccc21 ZINC000083927592 571060510 /nfs/dbraw/zinc/06/05/10/571060510.db2.gz LBRPZIHSAFXTEH-AEFFLSMTSA-N 1 0 370.497 2.234 50 0 FEAARO COc1ccc(CCNC(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000575415660 571149275 /nfs/dbraw/zinc/14/92/75/571149275.db2.gz MWCMGKPCUSPAHN-SFHVURJKSA-N 1 0 361.486 2.038 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000426388390 571218604 /nfs/dbraw/zinc/21/86/04/571218604.db2.gz JZGOMZJVMRKQJD-QGZVFWFLSA-N 1 0 373.476 2.166 50 0 FEAARO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000012475957 670002623 /nfs/dbraw/zinc/00/26/23/670002623.db2.gz XFDIKYQRJYLCCW-MRXNPFEDSA-N 1 0 371.616 2.101 50 0 FEAARO COc1cc(C[N@@H+]2CC[C@H](C3CCN(S(C)(=O)=O)CC3)C2)ccc1F ZINC000169782030 672322094 /nfs/dbraw/zinc/32/20/94/672322094.db2.gz FFGYEGBQHRKRJB-INIZCTEOSA-N 1 0 370.490 2.328 50 0 FEAARO C[C@@]1(C[NH3+])CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000261949037 672906068 /nfs/dbraw/zinc/90/60/68/672906068.db2.gz JYAPWVBRQVKZLU-SFHVURJKSA-N 1 0 359.451 2.392 50 0 FEAARO Cn1ncc(C(F)(F)F)c1CNCc1cccc(NS(C)(=O)=O)c1 ZINC000657294791 677992858 /nfs/dbraw/zinc/99/28/58/677992858.db2.gz FFSWSIIJJFBYGN-UHFFFAOYSA-N 1 0 362.377 2.100 50 0 FEAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000952971720 681793944 /nfs/dbraw/zinc/79/39/44/681793944.db2.gz OUPDPLXBSXXJMO-INIZCTEOSA-N 1 0 355.467 2.273 50 0 FEAARO O=C(N1CCC(=O)N(CC[NH+]2CCCC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012150449 539547049 /nfs/dbraw/zinc/54/70/49/539547049.db2.gz DLSNSEKOPNSQQI-UHFFFAOYSA-N 1 0 373.541 2.360 50 0 FEAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000012342823 539556670 /nfs/dbraw/zinc/55/66/70/539556670.db2.gz VAYBNVXRLLSIIV-HTXNQAPBSA-N 1 0 371.525 2.250 50 0 FEAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)COC ZINC000012430433 539559313 /nfs/dbraw/zinc/55/93/13/539559313.db2.gz MMXGWWKVNOVGRF-UHFFFAOYSA-N 1 0 352.450 2.159 50 0 FEAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccccc3C(F)(F)F)C[C@H]2O)CC1 ZINC000012439028 539559952 /nfs/dbraw/zinc/55/99/52/539559952.db2.gz ZNHXBJIGYNGXSO-IAGOWNOFSA-N 1 0 358.404 2.097 50 0 FEAARO CC[NH+](CC)CC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012472803 539562042 /nfs/dbraw/zinc/56/20/42/539562042.db2.gz AZXUIPJOEDFEQI-CQSZACIVSA-N 1 0 371.403 2.264 50 0 FEAARO COc1cc(CN2CCSCC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012580710 539566125 /nfs/dbraw/zinc/56/61/25/539566125.db2.gz OXJNNKVSKKVVDN-KRWDZBQOSA-N 1 0 368.543 2.324 50 0 FEAARO COC1CC[NH+](C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)CC1 ZINC000014979330 539608111 /nfs/dbraw/zinc/60/81/11/539608111.db2.gz IDAVLOFURKWTHH-FQEVSTJZSA-N 1 0 352.519 2.421 50 0 FEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(OC)cc3)c(C)n2)CC1 ZINC000015778162 539623517 /nfs/dbraw/zinc/62/35/17/539623517.db2.gz HXKSROCWMJNUET-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]CCN(C)C)o2)c1 ZINC000019582941 539661799 /nfs/dbraw/zinc/66/17/99/539661799.db2.gz YIZVQBOSUJLLNE-UHFFFAOYSA-N 1 0 360.410 2.171 50 0 FEAARO CC(C)(C)C[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1CCO ZINC000020908781 539678220 /nfs/dbraw/zinc/67/82/20/539678220.db2.gz RSFHXDGQDKHKRF-KRWDZBQOSA-N 1 0 357.502 2.182 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(NC(=O)C3CC3)s2)C1 ZINC000022693929 539697211 /nfs/dbraw/zinc/69/72/11/539697211.db2.gz AKWGCNBYTOBCGP-AWEZNQCLSA-N 1 0 365.499 2.183 50 0 FEAARO COc1ccccc1/C=C/CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712293 /nfs/dbraw/zinc/71/22/93/539712293.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 1 0 373.541 2.171 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3nc4ccccc4s3)C[C@@H]2CCO)CC1 ZINC000023373503 539712937 /nfs/dbraw/zinc/71/29/37/539712937.db2.gz HVTVBJZHBBNINR-KRWDZBQOSA-N 1 0 374.554 2.259 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 ZINC000023993875 539723664 /nfs/dbraw/zinc/72/36/64/539723664.db2.gz VUIQAARBGAXMIA-UHFFFAOYSA-N 1 0 361.396 2.457 50 0 FEAARO C[NH+](C)C1(CNC(=O)CN2c3ccccc3OCCC2=O)CCCCC1 ZINC000024761476 539739711 /nfs/dbraw/zinc/73/97/11/539739711.db2.gz JRKIRIVLRLSUMG-UHFFFAOYSA-N 1 0 359.470 2.183 50 0 FEAARO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000030637137 539887657 /nfs/dbraw/zinc/88/76/57/539887657.db2.gz ZQLFLJKAKMKQTE-UHFFFAOYSA-N 1 0 363.465 2.453 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCC[C@@H](C)[NH+]2CCCC2)c1=O ZINC000033005355 539963012 /nfs/dbraw/zinc/96/30/12/539963012.db2.gz VLFSSFLNUAPGCE-OAHLLOKOSA-N 1 0 356.470 2.086 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000035877137 539984518 /nfs/dbraw/zinc/98/45/18/539984518.db2.gz ZOXZTVVYASKWLB-FLGLUGIDSA-N 1 0 369.465 2.170 50 0 FEAARO Fc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1N1CCOCC1 ZINC000065508299 541241621 /nfs/dbraw/zinc/24/16/21/541241621.db2.gz ZGTSLVWWMMOHSB-MRXNPFEDSA-N 1 0 357.433 2.139 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)n[nH]1 ZINC000067955130 541532859 /nfs/dbraw/zinc/53/28/59/541532859.db2.gz QMLARXLAZMCWRJ-CVEARBPZSA-N 1 0 370.453 2.306 50 0 FEAARO Cc1sc(-n2cccc2)c(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c1C ZINC000067909816 541527871 /nfs/dbraw/zinc/52/78/71/541527871.db2.gz SKUORXVXJSTGKX-GJZGRUSLSA-N 1 0 374.510 2.222 50 0 FEAARO Cc1oc(-c2ccccc2C)nc1CN1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000067973605 541534458 /nfs/dbraw/zinc/53/44/58/541534458.db2.gz FEGHDYGWYWNRSS-FQEVSTJZSA-N 1 0 357.454 2.149 50 0 FEAARO O=C1NC(=O)[C@@](c2cccnc2)(C2CC[NH+](CCc3ccccc3)CC2)N1 ZINC000067982163 541535218 /nfs/dbraw/zinc/53/52/18/541535218.db2.gz QCGMIXLALGKMNC-NRFANRHFSA-N 1 0 364.449 2.071 50 0 FEAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(CCCF)CC2)C1 ZINC000071730317 541769424 /nfs/dbraw/zinc/76/94/24/541769424.db2.gz PICAIPIWUVUNRE-SFHVURJKSA-N 1 0 362.493 2.234 50 0 FEAARO CC1(C)CC[NH+](Cc2c(C(=O)N3CCOCC3)nc3ccccn32)CC1 ZINC000071752059 541770736 /nfs/dbraw/zinc/77/07/36/541770736.db2.gz AXKBGXFHFLTFJW-UHFFFAOYSA-N 1 0 356.470 2.429 50 0 FEAARO CCc1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH]n1 ZINC000071759742 541770910 /nfs/dbraw/zinc/77/09/10/541770910.db2.gz CXLTYLRWVLNTKS-KRWDZBQOSA-N 1 0 373.545 2.271 50 0 FEAARO CC(C)c1nnc2n1CCN(C(=O)c1ccccc1[C@@H]1CC[NH2+]C1)CC2 ZINC000072133655 541785365 /nfs/dbraw/zinc/78/53/65/541785365.db2.gz IEWFLBKWXIFSQF-OAHLLOKOSA-N 1 0 353.470 2.177 50 0 FEAARO O=C(c1ccccc1OC(F)F)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072133207 541785135 /nfs/dbraw/zinc/78/51/35/541785135.db2.gz NGFYITOPALRIAR-UHFFFAOYSA-N 1 0 354.397 2.349 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134311 541785928 /nfs/dbraw/zinc/78/59/28/541785928.db2.gz FQDYACAKFDBNDR-AWEZNQCLSA-N 1 0 351.882 2.415 50 0 FEAARO O=C(CN(Cc1cccnc1)[C@H]1C[NH+]2CCC1CC2)NCc1ccccc1 ZINC000072141788 541787080 /nfs/dbraw/zinc/78/70/80/541787080.db2.gz PLLCDBGHFHESDQ-NRFANRHFSA-N 1 0 364.493 2.294 50 0 FEAARO O=C(CCCc1cn[nH]c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072144874 541787924 /nfs/dbraw/zinc/78/79/24/541787924.db2.gz PUSDWVSTVSUFAU-FQEVSTJZSA-N 1 0 352.482 2.434 50 0 FEAARO Cc1ccn2c(nnc2C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072147489 541789032 /nfs/dbraw/zinc/78/90/32/541789032.db2.gz BWMLCWKGDWJIEG-INIZCTEOSA-N 1 0 356.474 2.207 50 0 FEAARO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCN(C2CCCC2)C(=O)C1 ZINC000072149471 541789155 /nfs/dbraw/zinc/78/91/55/541789155.db2.gz VYBJMPYRLHEHDZ-UHFFFAOYSA-N 1 0 369.509 2.456 50 0 FEAARO CC(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000072154649 541791047 /nfs/dbraw/zinc/79/10/47/541791047.db2.gz FGIPCWSAMITENK-OAHLLOKOSA-N 1 0 372.296 2.456 50 0 FEAARO CC[N@H+](C)CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072164057 541793560 /nfs/dbraw/zinc/79/35/60/541793560.db2.gz LGMONLPBBIHGEK-GOSISDBHSA-N 1 0 363.477 2.363 50 0 FEAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNS(=O)(=O)NCc2ccccc2)C1 ZINC000072164905 541793001 /nfs/dbraw/zinc/79/30/01/541793001.db2.gz RCLPJNDINMBYLA-IBGZPJMESA-N 1 0 373.522 2.441 50 0 FEAARO O=C(Cc1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072165991 541794423 /nfs/dbraw/zinc/79/44/23/541794423.db2.gz ROEXNCCWINVGPI-OAHLLOKOSA-N 1 0 354.853 2.469 50 0 FEAARO COC(=O)[C@H](CC[NH+]1CCCCC1)NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000072306527 541798386 /nfs/dbraw/zinc/79/83/86/541798386.db2.gz CZSRBZWVAKYXSE-ULQDDVLXSA-N 1 0 354.491 2.116 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000072423145 541810033 /nfs/dbraw/zinc/81/00/33/541810033.db2.gz XQDLNUSKGXGWSA-NRFANRHFSA-N 1 0 365.481 2.285 50 0 FEAARO Cc1ccc(-c2ccc(=O)[nH]n2)cc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072423080 541810094 /nfs/dbraw/zinc/81/00/94/541810094.db2.gz JWDNBXPZQOJXNM-UHFFFAOYSA-N 1 0 373.420 2.310 50 0 FEAARO O[C@@]1(CN(CCc2c[nH]c3ccccc23)Cc2cccnc2)CC[NH2+]C1 ZINC000072423614 541810167 /nfs/dbraw/zinc/81/01/67/541810167.db2.gz OAQZFIIDBRLMSR-NRFANRHFSA-N 1 0 350.466 2.332 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)N3CCOCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072435418 541814454 /nfs/dbraw/zinc/81/44/54/541814454.db2.gz XTAYRZFVHGDYJF-VAMGGRTRSA-N 1 0 371.481 2.009 50 0 FEAARO Cc1ccnc([C@@H](NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)C2CC2)c1 ZINC000072439795 541814784 /nfs/dbraw/zinc/81/47/84/541814784.db2.gz YOEKKOBNTNYYMS-FQEVSTJZSA-N 1 0 353.470 2.280 50 0 FEAARO NC(=O)COc1cccc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)c1 ZINC000072468208 541817842 /nfs/dbraw/zinc/81/78/42/541817842.db2.gz YCKLSHFSMWUASL-OAQYLSRUSA-N 1 0 368.477 2.366 50 0 FEAARO CCc1cc(N2CCC([NH+]3CCC(O)CC3)CC2)n2nc(C)c(C)c2n1 ZINC000072467837 541817909 /nfs/dbraw/zinc/81/79/09/541817909.db2.gz AIFHEOKIPSBZDX-UHFFFAOYSA-N 1 0 357.502 2.334 50 0 FEAARO CN1CC[N@H+](C)CC12CCN(C(=O)c1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072473864 541818349 /nfs/dbraw/zinc/81/83/49/541818349.db2.gz BBIHLWONLSOORY-UHFFFAOYSA-N 1 0 373.541 2.242 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)Cn3cc4ccccc4n3)cc2C1 ZINC000299796400 203776574 /nfs/dbraw/zinc/77/65/74/203776574.db2.gz NYNVRCKIEBXPSR-UHFFFAOYSA-N 1 0 366.469 2.165 50 0 FEAARO Cc1cccc(C)c1OC[C@H](C)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072454209 541816071 /nfs/dbraw/zinc/81/60/71/541816071.db2.gz AHQQXSJRRHBVRO-INIZCTEOSA-N 1 0 356.470 2.119 50 0 FEAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccc4nonc43)CC[C@H]21 ZINC000072454474 541816472 /nfs/dbraw/zinc/81/64/72/541816472.db2.gz ARZIXTCBNQOPQI-WMLDXEAASA-N 1 0 358.442 2.072 50 0 FEAARO NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000131049146 203802284 /nfs/dbraw/zinc/80/22/84/203802284.db2.gz JYDGZDRSJRDRKZ-KRWDZBQOSA-N 1 0 367.449 2.318 50 0 FEAARO NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000003402037 204097612 /nfs/dbraw/zinc/09/76/12/204097612.db2.gz SKWWVJGDCXGXHZ-LJQANCHMSA-N 1 0 354.450 2.291 50 0 FEAARO COc1ccc(C[NH2+]CCNC(=O)c2ccccc2F)c(OC)c1OC ZINC000004700785 204156857 /nfs/dbraw/zinc/15/68/57/204156857.db2.gz BKAYPIIRPJYIFJ-UHFFFAOYSA-N 1 0 362.401 2.371 50 0 FEAARO COc1ccc(CN2C[C@H](C(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004710673 204157568 /nfs/dbraw/zinc/15/75/68/204157568.db2.gz ADGJJJSJTRUPAL-GOSISDBHSA-N 1 0 373.497 2.036 50 0 FEAARO Cc1ccc(CCN2C[C@H](C(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004710993 204158087 /nfs/dbraw/zinc/15/80/87/204158087.db2.gz RYVLNWLRZHNLQK-HXUWFJFHSA-N 1 0 371.525 2.378 50 0 FEAARO CN1C2=C(C(=O)N(CC[NH+]3CCCCC3)C2)[C@@H](c2ccc(F)cc2)NC1=O ZINC000004239850 204128590 /nfs/dbraw/zinc/12/85/90/204128590.db2.gz TWQFHMCEYSFRAR-GOSISDBHSA-N 1 0 372.444 2.104 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938698 204178112 /nfs/dbraw/zinc/17/81/12/204178112.db2.gz RPVVCIBJYQQAPR-UHFFFAOYSA-N 1 0 354.454 2.102 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000006938689 204282881 /nfs/dbraw/zinc/28/28/81/204282881.db2.gz UVXRTCZARBPPPZ-QGZVFWFLSA-N 1 0 356.422 2.499 50 0 FEAARO CCOC(=O)c1c(NC(=O)NCCC[NH3+])sc2c1CC(C)(C)OC2 ZINC000006663498 204260048 /nfs/dbraw/zinc/26/00/48/204260048.db2.gz BCONQGANVYSTFZ-UHFFFAOYSA-N 1 0 355.460 2.246 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2)CC1 ZINC000008710923 204340182 /nfs/dbraw/zinc/34/01/82/204340182.db2.gz AHPZCTJEDDYQEK-UHFFFAOYSA-N 1 0 373.478 2.094 50 0 FEAARO COc1ccc(CCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008996469 204352156 /nfs/dbraw/zinc/35/21/56/204352156.db2.gz MTPPSMKDQIBEPU-UHFFFAOYSA-N 1 0 354.454 2.015 50 0 FEAARO COc1ccc(C(=O)CSc2nc(N)cc(N)[nH+]2)cc1Br ZINC000008745151 204342826 /nfs/dbraw/zinc/34/28/26/204342826.db2.gz WXXJSSHUKVMUPT-UHFFFAOYSA-N 1 0 369.244 2.387 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000008755493 204343613 /nfs/dbraw/zinc/34/36/13/204343613.db2.gz AXLQJBUXJAMOFZ-LLVKDONJSA-N 1 0 350.488 2.332 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738073 204381222 /nfs/dbraw/zinc/38/12/22/204381222.db2.gz HETYGWXVVMXMSS-UHFFFAOYSA-N 1 0 361.467 2.056 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000010544049 204397891 /nfs/dbraw/zinc/39/78/91/204397891.db2.gz AQXBSBPDLDTENV-GJZGRUSLSA-N 1 0 367.515 2.291 50 0 FEAARO CC[NH+](CC)CCCNC(=O)CCCNc1nc(Cl)nc2nc[nH]c21 ZINC000013682329 204544359 /nfs/dbraw/zinc/54/43/59/204544359.db2.gz NKBMVNHJHSOWMU-UHFFFAOYSA-N 1 0 367.885 2.047 50 0 FEAARO O=C(NCc1nnc(-c2ccncc2)[nH]1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000039499972 205046179 /nfs/dbraw/zinc/04/61/79/205046179.db2.gz JRAXHGBPTDIYGL-LBPRGKRZSA-N 1 0 354.439 2.283 50 0 FEAARO CSc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCCC3)CC2=O)cc1 ZINC000040051464 205051172 /nfs/dbraw/zinc/05/11/72/205051172.db2.gz PNZDLFMTOHKITG-HNNXBMFYSA-N 1 0 361.511 2.364 50 0 FEAARO C[NH+]1CCN(CCNC(=O)c2ccccc2COc2ccccc2)CC1 ZINC000040049091 205051703 /nfs/dbraw/zinc/05/17/03/205051703.db2.gz HAJLFEOVIPHKJM-UHFFFAOYSA-N 1 0 353.466 2.243 50 0 FEAARO COc1ccc(NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000040120776 205058130 /nfs/dbraw/zinc/05/81/30/205058130.db2.gz KJFQBLOYYJOTNY-UHFFFAOYSA-N 1 0 369.469 2.030 50 0 FEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000040744387 205079775 /nfs/dbraw/zinc/07/97/75/205079775.db2.gz YHIWHOVJRUATCW-UHFFFAOYSA-N 1 0 361.789 2.085 50 0 FEAARO O=C(CCN(C(=O)c1cccc(F)c1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000045966825 205127148 /nfs/dbraw/zinc/12/71/48/205127148.db2.gz UXQNNHHIFJETBS-UHFFFAOYSA-N 1 0 361.461 2.423 50 0 FEAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2)cc1 ZINC000045966616 205127646 /nfs/dbraw/zinc/12/76/46/205127646.db2.gz SBXBWUNYXDRDGR-UHFFFAOYSA-N 1 0 365.477 2.459 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 ZINC000048310215 205157661 /nfs/dbraw/zinc/15/76/61/205157661.db2.gz JBYLDMNSRCAUQJ-IYBDPMFKSA-N 1 0 368.481 2.188 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC000299749997 205132158 /nfs/dbraw/zinc/13/21/58/205132158.db2.gz MIEUCSNADHVQTP-IUODEOHRSA-N 1 0 364.467 2.319 50 0 FEAARO CN(C)c1ncc(C[NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)s1 ZINC000055226996 205212001 /nfs/dbraw/zinc/21/20/01/205212001.db2.gz KVQSLQBNQUKHCK-HNNXBMFYSA-N 1 0 356.495 2.067 50 0 FEAARO Cc1sc2ncn(C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1C ZINC000058160938 205253208 /nfs/dbraw/zinc/25/32/08/205253208.db2.gz HRXSEVSFHJKIDZ-KRWDZBQOSA-N 1 0 369.490 2.494 50 0 FEAARO CC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000058215648 205262431 /nfs/dbraw/zinc/26/24/31/205262431.db2.gz ZBGNKOXZDBBAHZ-VQTJNVASSA-N 1 0 357.498 2.416 50 0 FEAARO Cc1nc(C)c(CC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000058297042 205269851 /nfs/dbraw/zinc/26/98/51/205269851.db2.gz CEJPHRQTAIDMDO-SFHVURJKSA-N 1 0 368.481 2.100 50 0 FEAARO C[C@H](NC(=O)c1ccco1)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000058332609 205271027 /nfs/dbraw/zinc/27/10/27/205271027.db2.gz JHDBPGMICOFFTH-AWEZNQCLSA-N 1 0 361.417 2.127 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)on1 ZINC000014970398 205281035 /nfs/dbraw/zinc/28/10/35/205281035.db2.gz KNCGOQYWNSHGNA-MRXNPFEDSA-N 1 0 357.458 2.092 50 0 FEAARO OC[C@@H](Nc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2)c1ccccc1 ZINC000065497918 205355561 /nfs/dbraw/zinc/35/55/61/205355561.db2.gz GFXAYNQOYKJTSF-LJQANCHMSA-N 1 0 361.449 2.372 50 0 FEAARO Cc1cc(N2CCCCCC2)n2nc(CN3CC[NH+](C(C)C)CC3)nc2n1 ZINC000065311668 205336081 /nfs/dbraw/zinc/33/60/81/205336081.db2.gz QSTKAHNKBULRLR-UHFFFAOYSA-N 1 0 371.533 2.339 50 0 FEAARO CC(C)[NH+]1CCC(C(=O)N2CCc3[nH]cnc3[C@H]2c2cccnc2)CC1 ZINC000065373950 205341868 /nfs/dbraw/zinc/34/18/68/205341868.db2.gz DXCBQQOHFPNVMO-LJQANCHMSA-N 1 0 353.470 2.399 50 0 FEAARO CN(Cc1cccc2cccnc21)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065404977 205346372 /nfs/dbraw/zinc/34/63/72/205346372.db2.gz BJBNAXZQJYEBSJ-OAHLLOKOSA-N 1 0 364.453 2.098 50 0 FEAARO Cc1cccc(OCCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000065406302 205346560 /nfs/dbraw/zinc/34/65/60/205346560.db2.gz XAIQPEHWVNBLEU-UHFFFAOYSA-N 1 0 359.514 2.488 50 0 FEAARO COc1ccc2c(c1)[C@@H](NC(=O)CN1CCC[N@H+](C)CC1)CC(C)(C)O2 ZINC000065397350 205346983 /nfs/dbraw/zinc/34/69/83/205346983.db2.gz GTLIMFDKGVKBTL-KRWDZBQOSA-N 1 0 361.486 2.051 50 0 FEAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1CC1CCC1 ZINC000067642089 205377823 /nfs/dbraw/zinc/37/78/23/205377823.db2.gz PSGBBXJVOIRCNX-FQEVSTJZSA-N 1 0 359.445 2.459 50 0 FEAARO Cc1ccc(C)c(C(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c1 ZINC000067613534 205378015 /nfs/dbraw/zinc/37/80/15/205378015.db2.gz KNARYFMEODJOBB-UHFFFAOYSA-N 1 0 369.469 2.080 50 0 FEAARO CCNc1nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc(C)[nH+]1 ZINC000067613430 205378249 /nfs/dbraw/zinc/37/82/49/205378249.db2.gz XLZQQFFEVBXZIC-INIZCTEOSA-N 1 0 369.469 2.333 50 0 FEAARO Cc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)c(C)c1 ZINC000067629692 205378652 /nfs/dbraw/zinc/37/86/52/205378652.db2.gz CAHUSVNZDDZKNP-UHFFFAOYSA-N 1 0 369.469 2.080 50 0 FEAARO CN(C[C@H]1CCC[NH2+]C1)c1ccc(C(=O)NCCCc2ccccn2)cn1 ZINC000067654946 205380424 /nfs/dbraw/zinc/38/04/24/205380424.db2.gz GRIZTPOHLYJXHJ-KRWDZBQOSA-N 1 0 367.497 2.275 50 0 FEAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)no1 ZINC000067674145 205381059 /nfs/dbraw/zinc/38/10/59/205381059.db2.gz OCXFEZGINLXTIR-HKUYNNGSSA-N 1 0 357.454 2.382 50 0 FEAARO CCOc1ccc2ccccc2c1C[N@@H+]1C[C@H](O)[C@@H](N2CCN(C)CC2)C1 ZINC000067675455 205382465 /nfs/dbraw/zinc/38/24/65/205382465.db2.gz OMARWXRUXCLHSX-SFTDATJTSA-N 1 0 369.509 2.031 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3cccc(C)n3)cnn2c1 ZINC000067688691 205384212 /nfs/dbraw/zinc/38/42/12/205384212.db2.gz JADWJOXQRNKAGA-UHFFFAOYSA-N 1 0 352.442 2.205 50 0 FEAARO CCC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2sc(C)nc2C)C1=O ZINC000067713332 205384878 /nfs/dbraw/zinc/38/48/78/205384878.db2.gz CINLYEYGYRCLBN-QGZVFWFLSA-N 1 0 350.488 2.350 50 0 FEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCC3(O)CCCC3)C2=O)c1 ZINC000067723545 205385538 /nfs/dbraw/zinc/38/55/38/205385538.db2.gz UBYJJHYIFASTOW-OAQYLSRUSA-N 1 0 360.498 2.133 50 0 FEAARO COc1cccc(CN2CCC[C@@](O)(C[N@H+](C)CC(C)C)C2=O)c1OC ZINC000067820939 205394833 /nfs/dbraw/zinc/39/48/33/205394833.db2.gz IJCYMUXIBADISQ-HXUWFJFHSA-N 1 0 364.486 2.145 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](C)Cc3ccccn3)cnn2c1 ZINC000067843456 205396119 /nfs/dbraw/zinc/39/61/19/205396119.db2.gz FVNRHERENRYGSD-OAHLLOKOSA-N 1 0 366.469 2.327 50 0 FEAARO C[N@H+](CCc1cn[nH]c1)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067855356 205397121 /nfs/dbraw/zinc/39/71/21/205397121.db2.gz JQFXPTXBHCLCTP-HXUWFJFHSA-N 1 0 362.518 2.208 50 0 FEAARO COc1cccc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072474051 205557636 /nfs/dbraw/zinc/55/76/36/205557636.db2.gz NUFBSGGMKGGNJA-LJQANCHMSA-N 1 0 354.454 2.291 50 0 FEAARO CC(C)c1ccc(C[NH+]2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1 ZINC000091713862 205690309 /nfs/dbraw/zinc/69/03/09/205690309.db2.gz ASBFASSONAJVEB-UHFFFAOYSA-N 1 0 357.498 2.500 50 0 FEAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)[C@@H](c1cccnc1)N1CCOCC1 ZINC000097785455 205927835 /nfs/dbraw/zinc/92/78/35/205927835.db2.gz RFSTYVVWKJXQPX-LJQANCHMSA-N 1 0 374.529 2.226 50 0 FEAARO CN1C(=O)CC[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237055058 206079825 /nfs/dbraw/zinc/07/98/25/206079825.db2.gz GCHSXBUHPYRCRJ-FMKPAKJESA-N 1 0 369.387 2.175 50 0 FEAARO Cc1c(C(=O)N2C[C@H](C)CN(C)c3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000237569777 206105278 /nfs/dbraw/zinc/10/52/78/206105278.db2.gz PRHWZRZSKVZCOV-CQSZACIVSA-N 1 0 368.485 2.244 50 0 FEAARO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000237643372 206106710 /nfs/dbraw/zinc/10/67/10/206106710.db2.gz LJBWCJYAWMEXJT-LLVKDONJSA-N 1 0 363.259 2.377 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000237236771 206093919 /nfs/dbraw/zinc/09/39/19/206093919.db2.gz ZHLNURLNPPGVFT-QEJZJMRPSA-N 1 0 360.376 2.031 50 0 FEAARO O=C(NC[C@@H](O)c1c(F)cccc1F)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238112305 206114131 /nfs/dbraw/zinc/11/41/31/206114131.db2.gz HUMGVFIFHVOSIR-QGZVFWFLSA-N 1 0 360.404 2.436 50 0 FEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000237942165 206111342 /nfs/dbraw/zinc/11/13/42/206111342.db2.gz NFNGSXBYVSJVAS-BPLDGKMQSA-N 1 0 353.260 2.476 50 0 FEAARO O=C(C[NH2+]C[C@H]1CCCO1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000237993092 206111684 /nfs/dbraw/zinc/11/16/84/206111684.db2.gz GITVCCKARWBOHG-IEBWSBKVSA-N 1 0 366.889 2.381 50 0 FEAARO COCC[NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1 ZINC000008734929 206217275 /nfs/dbraw/zinc/21/72/75/206217275.db2.gz INLYTZUVTXHRPH-INIZCTEOSA-N 1 0 359.451 2.367 50 0 FEAARO Cc1cccc(OCC(=O)N2CCC(C[N@H+]3CCN(C)C[C@H]3C)CC2)c1 ZINC000107286128 206242746 /nfs/dbraw/zinc/24/27/46/206242746.db2.gz ICSPFYIPSWZGPG-GOSISDBHSA-N 1 0 359.514 2.248 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000109036638 206247804 /nfs/dbraw/zinc/24/78/04/206247804.db2.gz QDBCSVHQDFLMTQ-UKRRQHHQSA-N 1 0 357.462 2.213 50 0 FEAARO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106577521 206311151 /nfs/dbraw/zinc/31/11/51/206311151.db2.gz IRWHDSMPCUYEBU-HOTGVXAUSA-N 1 0 359.401 2.382 50 0 FEAARO Cc1c(CN2CCC[C@H]2C(F)(F)F)cnn1CC[N@@H+]1CCCOCC1 ZINC000216273849 206357976 /nfs/dbraw/zinc/35/79/76/206357976.db2.gz DTQJUZVZRXZMFF-INIZCTEOSA-N 1 0 360.424 2.441 50 0 FEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)[C@H]3COc4ccccc4C3)cc2C1 ZINC000214958167 206343696 /nfs/dbraw/zinc/34/36/96/206343696.db2.gz JPQQBQUHNGLXEZ-QGZVFWFLSA-N 1 0 368.481 2.222 50 0 FEAARO Cc1nc2ccc(Cl)cn2c1C(=O)NCC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000215386922 206346163 /nfs/dbraw/zinc/34/61/63/206346163.db2.gz LRQZTLGKVXDXTA-CYBMUJFWSA-N 1 0 363.893 2.052 50 0 FEAARO Cc1cc(C)c(C[N@H+]2CCCN(CC(=O)N(C)C)CC2)c(-n2cccn2)c1 ZINC000216248489 206356864 /nfs/dbraw/zinc/35/68/64/206356864.db2.gz VHGATAQBKVXKKX-UHFFFAOYSA-N 1 0 369.513 2.085 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccccc2)CCCC1 ZINC000219540284 206387488 /nfs/dbraw/zinc/38/74/88/206387488.db2.gz LJTAFWOWFGVRQY-RTBURBONSA-N 1 0 360.498 2.350 50 0 FEAARO CCOc1cc(C[NH2+]C(CC)(CO)CO)cc(Br)c1OC ZINC000076017837 542225012 /nfs/dbraw/zinc/22/50/12/542225012.db2.gz UKHSJBQJOKXUTN-UHFFFAOYSA-N 1 0 362.264 2.079 50 0 FEAARO CCCOCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077341379 542369606 /nfs/dbraw/zinc/36/96/06/542369606.db2.gz NXINYTLUADDSCI-FQEVSTJZSA-N 1 0 360.502 2.416 50 0 FEAARO COc1ccc(-n2ccnc2CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000077375207 542374709 /nfs/dbraw/zinc/37/47/09/542374709.db2.gz JCNSAOSGLCYOMA-SFHVURJKSA-N 1 0 358.486 2.158 50 0 FEAARO CCn1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)cc1=O ZINC000077392120 542377180 /nfs/dbraw/zinc/37/71/80/542377180.db2.gz AJHSRBRMLZLWRX-RBUKOAKNSA-N 1 0 353.466 2.346 50 0 FEAARO CN1CC[C@@H]([N@H+](C)CCC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000077407718 542379637 /nfs/dbraw/zinc/37/96/37/542379637.db2.gz PHOFKPCFOXVUEG-LJQANCHMSA-N 1 0 359.514 2.220 50 0 FEAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077440335 542382483 /nfs/dbraw/zinc/38/24/83/542382483.db2.gz YUSVHBSLYIZSHK-FQEVSTJZSA-N 1 0 358.461 2.434 50 0 FEAARO Cc1ccc2cc(CN3CC[C@@](O)(C[NH+]4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000077541592 542395063 /nfs/dbraw/zinc/39/50/63/542395063.db2.gz QHKVQCNIMSQQKL-OAQYLSRUSA-N 1 0 355.482 2.259 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccccc3N(C)C)cc2C1 ZINC000082121993 542685177 /nfs/dbraw/zinc/68/51/77/542685177.db2.gz RDJIOLRFRKJJLT-UHFFFAOYSA-N 1 0 355.486 2.495 50 0 FEAARO CC(=O)N1CCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082125524 542685364 /nfs/dbraw/zinc/68/53/64/542685364.db2.gz KZYWGMHXXHOYQD-FQEVSTJZSA-N 1 0 357.498 2.164 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3ccc4cccc(F)c4n3)CC2)nc(N)[nH+]1 ZINC000091535034 132202045 /nfs/dbraw/zinc/20/20/45/132202045.db2.gz QSXFRPWVZFXCGR-UHFFFAOYSA-N 1 0 366.400 2.017 50 0 FEAARO CC(C)Nc1cc(N2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)ncn1 ZINC000106970754 132240824 /nfs/dbraw/zinc/24/08/24/132240824.db2.gz FDOUVDFWSADTFS-HNNXBMFYSA-N 1 0 361.515 2.432 50 0 FEAARO Cc1ncnc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c1C ZINC000107399492 132241408 /nfs/dbraw/zinc/24/14/08/132241408.db2.gz BXLUALYYUBPPFE-HXUWFJFHSA-N 1 0 357.502 2.007 50 0 FEAARO Cc1nc([C@H]2CCCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)C2)no1 ZINC000216089066 132270519 /nfs/dbraw/zinc/27/05/19/132270519.db2.gz NKYVEIXMVQKTHP-KRWDZBQOSA-N 1 0 369.469 2.150 50 0 FEAARO Cc1nc(C)c(C)c(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230189599 132289204 /nfs/dbraw/zinc/28/92/04/132289204.db2.gz HTYIJDGGSDRADK-OAQYLSRUSA-N 1 0 371.529 2.315 50 0 FEAARO CC[NH+]1CCN(c2nc(C)c3c(n2)N(C)N=C(c2ccccc2)O3)CC1 ZINC000257173038 132377257 /nfs/dbraw/zinc/37/72/57/132377257.db2.gz AZKGVJHKIFEUCD-UHFFFAOYSA-N 1 0 352.442 2.117 50 0 FEAARO O=C(c1cc(=O)[nH]c2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091459668 542808335 /nfs/dbraw/zinc/80/83/35/542808335.db2.gz YRFYPXZTUSIURJ-HZPDHXFCSA-N 1 0 351.450 2.475 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2nccn2C)C3)cc1 ZINC000091255993 542803038 /nfs/dbraw/zinc/80/30/38/542803038.db2.gz MXNGIEPXPUJUFC-DLBZAZTESA-N 1 0 354.454 2.165 50 0 FEAARO COc1ccc(F)c(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)c1 ZINC000091547693 542812315 /nfs/dbraw/zinc/81/23/15/542812315.db2.gz MGSNLDZVKGTEHM-UHFFFAOYSA-N 1 0 350.434 2.031 50 0 FEAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1cc3c(cc1Cl)OCCO3)C2 ZINC000091602616 542815175 /nfs/dbraw/zinc/81/51/75/542815175.db2.gz BAKVLVPPRKUTRG-TZMCWYRMSA-N 1 0 350.846 2.206 50 0 FEAARO COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1 ZINC000091619791 542816153 /nfs/dbraw/zinc/81/61/53/542816153.db2.gz YCCMFUXEZYRPBY-UHFFFAOYSA-N 1 0 373.497 2.102 50 0 FEAARO Cc1ncc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cn1 ZINC000091644413 542818249 /nfs/dbraw/zinc/81/82/49/542818249.db2.gz FQWGQBMQSCWNJP-UHFFFAOYSA-N 1 0 368.485 2.154 50 0 FEAARO O=C(c1n[nH]c2c1CCCC2)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091808131 542827027 /nfs/dbraw/zinc/82/70/27/542827027.db2.gz XAKGSOKLHVYGNV-GOEBONIOSA-N 1 0 358.486 2.004 50 0 FEAARO CCOc1ccccc1NC(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000092022568 542838905 /nfs/dbraw/zinc/83/89/05/542838905.db2.gz ZWECNRPLFBPCIQ-FQEVSTJZSA-N 1 0 374.485 2.246 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092066867 542843201 /nfs/dbraw/zinc/84/32/01/542843201.db2.gz ZYDKIQSBKJYZPY-LXTVHRRPSA-N 1 0 373.419 2.254 50 0 FEAARO CN(C)c1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)s1 ZINC000092077628 542843999 /nfs/dbraw/zinc/84/39/99/542843999.db2.gz NSODDEICDCKNPQ-GOEBONIOSA-N 1 0 371.510 2.227 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N3CC[N@H+](C)[C@H](C)C3)nc2)n1 ZINC000039500146 136119076 /nfs/dbraw/zinc/11/90/76/136119076.db2.gz WFAPQXMRWHKSEP-CYBMUJFWSA-N 1 0 359.499 2.171 50 0 FEAARO CN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@@H]1CC[NH2+]C1 ZINC000299738613 136121924 /nfs/dbraw/zinc/12/19/24/136121924.db2.gz CUXNJGCRJVOSCU-QWHCGFSZSA-N 1 0 356.392 2.137 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1 ZINC000058214502 136131114 /nfs/dbraw/zinc/13/11/14/136131114.db2.gz WJDVRQFUSFINQZ-QGZVFWFLSA-N 1 0 370.453 2.481 50 0 FEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000095371059 542962613 /nfs/dbraw/zinc/96/26/13/542962613.db2.gz YTYGYBOOCYUVLW-UHFFFAOYSA-N 1 0 355.486 2.179 50 0 FEAARO Cc1cnc(C)c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071746614 136139953 /nfs/dbraw/zinc/13/99/53/136139953.db2.gz SGGMIWUMSZTJQN-GOSISDBHSA-N 1 0 371.529 2.397 50 0 FEAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c(F)c1F ZINC000095374458 542963549 /nfs/dbraw/zinc/96/35/49/542963549.db2.gz OSHJWKSLQFPOBG-CQSZACIVSA-N 1 0 368.424 2.481 50 0 FEAARO COc1cccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)c1 ZINC000072409295 136145259 /nfs/dbraw/zinc/14/52/59/136145259.db2.gz YGTZKOMYLMNSBJ-INIZCTEOSA-N 1 0 367.453 2.040 50 0 FEAARO Cc1nccn1CCC1CCN(c2nc(C)nc3c2CC[NH2+]CC3)CC1 ZINC000072430991 136147021 /nfs/dbraw/zinc/14/70/21/136147021.db2.gz LBBDMTQRLUETPR-UHFFFAOYSA-N 1 0 354.502 2.285 50 0 FEAARO C[NH+](C)CCN1C[C@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O ZINC000095358774 542958960 /nfs/dbraw/zinc/95/89/60/542958960.db2.gz DKHIVCNNIWJZKT-HXUWFJFHSA-N 1 0 365.477 2.380 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3ccnn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095363053 542960092 /nfs/dbraw/zinc/96/00/92/542960092.db2.gz SXGGFYKNEKGHLF-DFQSSKMNSA-N 1 0 366.465 2.131 50 0 FEAARO O=C(Cn1ccccc1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095362798 542960310 /nfs/dbraw/zinc/96/03/10/542960310.db2.gz ZWJKICCSTGHIPK-PKOBYXMFSA-N 1 0 369.440 2.110 50 0 FEAARO CN(C)C(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)o1 ZINC000095364160 542961127 /nfs/dbraw/zinc/96/11/27/542961127.db2.gz QCMFDHUDMCDENL-DOTOQJQBSA-N 1 0 361.486 2.057 50 0 FEAARO CC[N@@H+]1CCC[C@@](C)(C(=O)NCc2nncn2CCc2ccccc2)C1 ZINC000095366867 542961149 /nfs/dbraw/zinc/96/11/49/542961149.db2.gz IOCTXVWFGZJIFP-HXUWFJFHSA-N 1 0 355.486 2.259 50 0 FEAARO O=C(NCCN1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095382723 542965445 /nfs/dbraw/zinc/96/54/45/542965445.db2.gz GFHJQYMBVNFYBB-SFHVURJKSA-N 1 0 357.498 2.056 50 0 FEAARO Cc1nccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1C ZINC000095383552 542966379 /nfs/dbraw/zinc/96/63/79/542966379.db2.gz PRTMUQAOLQUTRF-KRWDZBQOSA-N 1 0 351.458 2.143 50 0 FEAARO [NH3+]CC[C@@H]1CN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CCO1 ZINC000095383688 542966492 /nfs/dbraw/zinc/96/64/92/542966492.db2.gz YWFOJAQTBZBVOK-QGZVFWFLSA-N 1 0 368.412 2.330 50 0 FEAARO OC1(C[NH+]2CCOCC2)CCN(Cc2ccccc2Br)CC1 ZINC000095459751 542971040 /nfs/dbraw/zinc/97/10/40/542971040.db2.gz PJBJJFSSCJWBDS-UHFFFAOYSA-N 1 0 369.303 2.108 50 0 FEAARO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)c2nncn2C)CC1)CC1CC1 ZINC000095457476 542971169 /nfs/dbraw/zinc/97/11/69/542971169.db2.gz LKUGOHPVWPTXCT-HNNXBMFYSA-N 1 0 362.522 2.420 50 0 FEAARO C[NH+](C)C[C@@H](O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1 ZINC000095456504 542971183 /nfs/dbraw/zinc/97/11/83/542971183.db2.gz LYNBGEGFLQCBLA-CQSZACIVSA-N 1 0 361.833 2.193 50 0 FEAARO Cc1ccc2nc(C)c(C)c(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000095512619 542977900 /nfs/dbraw/zinc/97/79/00/542977900.db2.gz YNCMXFCWAFUNIE-MRXNPFEDSA-N 1 0 368.481 2.087 50 0 FEAARO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)nnn1-c1cccc2cnccc21 ZINC000095953767 542983667 /nfs/dbraw/zinc/98/36/67/542983667.db2.gz VCBBNTRIFABJEJ-UHFFFAOYSA-N 1 0 352.442 2.194 50 0 FEAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc1=O ZINC000095518787 542979188 /nfs/dbraw/zinc/97/91/88/542979188.db2.gz HSAUFTDWFXLNEI-AWEZNQCLSA-N 1 0 373.428 2.165 50 0 FEAARO CNc1nc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH+](C)C)C2)cs1 ZINC000095525422 542980840 /nfs/dbraw/zinc/98/08/40/542980840.db2.gz FIYKXVOXUKFCBK-GOEBONIOSA-N 1 0 360.483 2.363 50 0 FEAARO O=C(CCc1cccc(F)c1)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095526441 542981209 /nfs/dbraw/zinc/98/12/09/542981209.db2.gz ITOUMMPIRCELMO-HXUWFJFHSA-N 1 0 356.441 2.464 50 0 FEAARO O=C(CCc1cccc(F)c1)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095526442 542981323 /nfs/dbraw/zinc/98/13/23/542981323.db2.gz ITOUMMPIRCELMO-FQEVSTJZSA-N 1 0 356.441 2.464 50 0 FEAARO CN(C)Cc1nnc(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1C ZINC000096141998 542993780 /nfs/dbraw/zinc/99/37/80/542993780.db2.gz FYPMYRNFDMYUBQ-UHFFFAOYSA-N 1 0 371.485 2.028 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cccnc2)CC1 ZINC000096161645 542994527 /nfs/dbraw/zinc/99/45/27/542994527.db2.gz XJDSQZNUGSZUQT-LJQANCHMSA-N 1 0 361.486 2.061 50 0 FEAARO Cc1nc(-c2sc3ncn(C)c(=O)c3c2C)n(C2CC[NH+](C)CC2)n1 ZINC000096180579 542994950 /nfs/dbraw/zinc/99/49/50/542994950.db2.gz XQCBIHJVWVTFHI-UHFFFAOYSA-N 1 0 358.471 2.137 50 0 FEAARO C[C@H]1CCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000097163856 543006062 /nfs/dbraw/zinc/00/60/62/543006062.db2.gz VRPOGYMMCDCTLE-HNNXBMFYSA-N 1 0 368.481 2.337 50 0 FEAARO CSCCc1nc([C@@H]2C[C@H]([NH3+])CN2C)n(-c2ccc3c(c2)CCC3)n1 ZINC000097572307 543012905 /nfs/dbraw/zinc/01/29/05/543012905.db2.gz URPQFPJILNBTLB-RDJZCZTQSA-N 1 0 357.527 2.365 50 0 FEAARO Cc1ccc2[nH]c(COCC(=O)N3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000097635041 543013636 /nfs/dbraw/zinc/01/36/36/543013636.db2.gz XJVPFDLHWCULQW-UHFFFAOYSA-N 1 0 356.470 2.475 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1-c1nc[nH]n1 ZINC000097610228 543013927 /nfs/dbraw/zinc/01/39/27/543013927.db2.gz CKZFNXRUGUDFAX-UHFFFAOYSA-N 1 0 362.437 2.261 50 0 FEAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCCCSc2ccc(Cl)cc2)C1 ZINC000097729767 543016008 /nfs/dbraw/zinc/01/60/08/543016008.db2.gz AWWSFIUARYIISK-ZDUSSCGKSA-N 1 0 369.918 2.136 50 0 FEAARO C[NH+](C)Cc1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)c1 ZINC000097797233 543016879 /nfs/dbraw/zinc/01/68/79/543016879.db2.gz CYJYHKSBEDQBNR-SFHVURJKSA-N 1 0 355.413 2.201 50 0 FEAARO Cc1ccccc1[C@H](CNC(=O)Cn1cccnc1=O)[NH+]1CCC(C)CC1 ZINC000097288882 543009772 /nfs/dbraw/zinc/00/97/72/543009772.db2.gz VRANXKQYZLPJGU-IBGZPJMESA-N 1 0 368.481 2.141 50 0 FEAARO O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1C[NH+]1CCSCC1 ZINC000101375012 543027056 /nfs/dbraw/zinc/02/70/56/543027056.db2.gz OGMVXVACRNIEJW-UHFFFAOYSA-N 1 0 372.490 2.453 50 0 FEAARO CCn1cnnc1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)C1 ZINC000103477610 543110512 /nfs/dbraw/zinc/11/05/12/543110512.db2.gz SVHVJXOOEUNPDJ-GJZGRUSLSA-N 1 0 359.478 2.282 50 0 FEAARO Cc1noc(C)c1CN1CCc2c(C(=O)N3CC[NH2+][C@H](C)C3)csc2C1 ZINC000426361930 263565291 /nfs/dbraw/zinc/56/52/91/263565291.db2.gz KQMPNJUDAHHNGN-GFCCVEGCSA-N 1 0 374.510 2.345 50 0 FEAARO COc1cc(CNC(=O)N2CCC([NH+]3CCSCC3)CC2)ccc1O ZINC000426443028 263594226 /nfs/dbraw/zinc/59/42/26/263594226.db2.gz BLBXPCCFXLXIPR-UHFFFAOYSA-N 1 0 365.499 2.124 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCC[C@@H]1COc2ccccc2O1 ZINC000426633733 263648103 /nfs/dbraw/zinc/64/81/03/263648103.db2.gz BYOIFFLANXFEIC-CQSZACIVSA-N 1 0 360.385 2.123 50 0 FEAARO Cc1ccc2ncc(C[NH+]3CCC(CC(=O)N4CCN(C)CC4)CC3)n2c1 ZINC000093143134 325435717 /nfs/dbraw/zinc/43/57/17/325435717.db2.gz BZDTZSQNVKMRFA-UHFFFAOYSA-N 1 0 369.513 2.019 50 0 FEAARO CC(C)NC(=O)CN(C)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000089885235 519705256 /nfs/dbraw/zinc/70/52/56/519705256.db2.gz DZSXLDAKTSGKQD-UHFFFAOYSA-N 1 0 351.466 2.125 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)C[C@H](C)n3ccnc3C)cc2C1 ZINC000082160468 519854908 /nfs/dbraw/zinc/85/49/08/519854908.db2.gz VZNAQRQLZJLDKY-HNNXBMFYSA-N 1 0 358.490 2.271 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)c3cccc(F)c3)cc2C1 ZINC000082087441 519855333 /nfs/dbraw/zinc/85/53/33/519855333.db2.gz PVRGXVCKIJORBU-UHFFFAOYSA-N 1 0 366.462 2.116 50 0 FEAARO CCSCC[N@@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000082096170 521707846 /nfs/dbraw/zinc/70/78/46/521707846.db2.gz PCBIJTMOXFNWAP-UHFFFAOYSA-N 1 0 350.532 2.397 50 0 FEAARO COCCc1ncc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000020537936 522036005 /nfs/dbraw/zinc/03/60/05/522036005.db2.gz JTVBJNRAWWPEDB-FQEVSTJZSA-N 1 0 366.509 2.387 50 0 FEAARO CN(CC(=O)N1CCC(Oc2ccccc2Cl)CC1)C1CC[NH2+]CC1 ZINC000082109631 522427864 /nfs/dbraw/zinc/42/78/64/522427864.db2.gz CZXDRGFOQYUXFN-UHFFFAOYSA-N 1 0 365.905 2.394 50 0 FEAARO CN1CC[NH+](Cn2cc(CC(=O)N3CCCCC3)c3ccccc32)CC1 ZINC000020647437 523912469 /nfs/dbraw/zinc/91/24/69/523912469.db2.gz QCSOYXDPCJBMCT-UHFFFAOYSA-N 1 0 354.498 2.401 50 0 FEAARO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000246636980 524146366 /nfs/dbraw/zinc/14/63/66/524146366.db2.gz RVUDBEBEBYSRMS-OREBXVKISA-N 1 0 361.530 2.355 50 0 FEAARO COc1coc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cc1=O ZINC000091663912 524943924 /nfs/dbraw/zinc/94/39/24/524943924.db2.gz JFGLEOQNARZFLB-FQEVSTJZSA-N 1 0 360.454 2.263 50 0 FEAARO c1ccc([C@H]([NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)c2ccccn2)cc1 ZINC000241775898 526497209 /nfs/dbraw/zinc/49/72/09/526497209.db2.gz RQAHSMVLVHZAIK-NNWRFLSQSA-N 1 0 367.493 2.498 50 0 FEAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](Cn3cc(C(C)(C)O)nn3)C2)nc1C ZINC000020271578 526715821 /nfs/dbraw/zinc/71/58/21/526715821.db2.gz DAYLUKUHUADBCC-MRXNPFEDSA-N 1 0 358.490 2.133 50 0 FEAARO O=C1C[C@]2(CC[N@H+](Cc3cnc(SCc4ccccc4)nc3)C2)C(=O)N1 ZINC000082139259 527034891 /nfs/dbraw/zinc/03/48/91/527034891.db2.gz LURSJAPYQSIAMH-IBGZPJMESA-N 1 0 368.462 2.008 50 0 FEAARO Cc1nccn1CCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091548624 527392540 /nfs/dbraw/zinc/39/25/40/527392540.db2.gz UCEKONAXGMCLDN-VQTJNVASSA-N 1 0 367.497 2.490 50 0 FEAARO CCN(C)c1ccnc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095378828 535765609 /nfs/dbraw/zinc/76/56/09/535765609.db2.gz ZVJNGFKUDPNWEZ-INIZCTEOSA-N 1 0 357.506 2.075 50 0 FEAARO CCc1cc(N2CCC(N3CC[NH+](C4CCOCC4)CC3)CC2)nc(C)n1 ZINC000096133097 536145084 /nfs/dbraw/zinc/14/50/84/536145084.db2.gz PMAXQCWIRNVYPU-UHFFFAOYSA-N 1 0 373.545 2.113 50 0 FEAARO COCN1C(=O)CCc2cc(NC(=O)NC3CC[NH+](C4CC4)CC3)ccc21 ZINC000170619514 546167255 /nfs/dbraw/zinc/16/72/55/546167255.db2.gz KCBYWPFLTRCMED-UHFFFAOYSA-N 1 0 372.469 2.318 50 0 FEAARO CCCN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CC[NH2+]C1 ZINC000178883491 546867817 /nfs/dbraw/zinc/86/78/17/546867817.db2.gz WSZAFTGJHSUHNC-CYBMUJFWSA-N 1 0 351.834 2.239 50 0 FEAARO O=C(NC1Cc2ccccc2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000186680436 548173229 /nfs/dbraw/zinc/17/32/29/548173229.db2.gz YADDRZDVDWEVJY-UHFFFAOYSA-N 1 0 357.498 2.440 50 0 FEAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2ncccc2c1 ZINC000194567400 548499216 /nfs/dbraw/zinc/49/92/16/548499216.db2.gz HFXYESUMRSIPMF-HNNXBMFYSA-N 1 0 356.470 2.221 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)nc2)on1 ZINC000210428402 548666339 /nfs/dbraw/zinc/66/63/39/548666339.db2.gz HEHCNLYDLLVFQU-KRWDZBQOSA-N 1 0 369.469 2.237 50 0 FEAARO CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cn1ccnc1-c1ccccc1)C2 ZINC000221245175 548704025 /nfs/dbraw/zinc/70/40/25/548704025.db2.gz BSXYWWXFEGIICB-SFHVURJKSA-N 1 0 365.437 2.232 50 0 FEAARO C[N@@H+]1C[C@@H]2CC[C@H]1CN(C(=O)CCSc1ccc3c(c1)OCCO3)C2 ZINC000221423878 548704878 /nfs/dbraw/zinc/70/48/78/548704878.db2.gz SNTVECNSJXMTNI-GJZGRUSLSA-N 1 0 362.495 2.493 50 0 FEAARO Cc1cccc(CS(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000225564126 548738024 /nfs/dbraw/zinc/73/80/24/548738024.db2.gz CJCKKZKZVKAKIT-UHFFFAOYSA-N 1 0 366.527 2.305 50 0 FEAARO CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236994158 548792362 /nfs/dbraw/zinc/79/23/62/548792362.db2.gz IQMBJGDHZWFTAG-CYBMUJFWSA-N 1 0 367.457 2.063 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237236795 548811190 /nfs/dbraw/zinc/81/11/90/548811190.db2.gz ZNGVVYXIMCBYNH-YUTCNCBUSA-N 1 0 360.376 2.031 50 0 FEAARO C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000243956946 548889954 /nfs/dbraw/zinc/88/99/54/548889954.db2.gz CERBHOGEINRSBP-CYBMUJFWSA-N 1 0 364.877 2.396 50 0 FEAARO C[NH+](C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000244673601 548892032 /nfs/dbraw/zinc/89/20/32/548892032.db2.gz HSFBEWRUPFHMTK-MOPGFXCFSA-N 1 0 373.497 2.292 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)n1 ZINC000244741893 548893603 /nfs/dbraw/zinc/89/36/03/548893603.db2.gz NYORIRIWAGYBLX-DTORHVGOSA-N 1 0 354.336 2.026 50 0 FEAARO Cn1c2ccccc2nc1C1CCN(CC(=O)NC[C@H]2CCCO2)CC1 ZINC000244787801 548894524 /nfs/dbraw/zinc/89/45/24/548894524.db2.gz QDXNTXBEZBVGRS-MRXNPFEDSA-N 1 0 356.470 2.048 50 0 FEAARO Nc1nc(NCc2cnn(Cc3ccccc3)c2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244874134 548898205 /nfs/dbraw/zinc/89/82/05/548898205.db2.gz WUZLUKAZOHTDDZ-IYBDPMFKSA-N 1 0 350.426 2.154 50 0 FEAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCC(c3nnc(CO)n3C)CC2)c1 ZINC000244882451 548898371 /nfs/dbraw/zinc/89/83/71/548898371.db2.gz XRXNJFGZWKUTDW-UHFFFAOYSA-N 1 0 371.485 2.132 50 0 FEAARO CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000244899715 548899311 /nfs/dbraw/zinc/89/93/11/548899311.db2.gz ZOPUHJGQQYUSRC-JOCQHMNTSA-N 1 0 357.506 2.470 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2cccc(C)c2NC1=O ZINC000245329223 548901756 /nfs/dbraw/zinc/90/17/56/548901756.db2.gz YHJBFALZYUQLJS-HLHGNOBRSA-N 1 0 369.465 2.170 50 0 FEAARO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246274097 549093766 /nfs/dbraw/zinc/09/37/66/549093766.db2.gz ZFBBRBQUBYFJNO-VQIMIIECSA-N 1 0 367.497 2.451 50 0 FEAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)nc2ccccc21 ZINC000248153339 549412362 /nfs/dbraw/zinc/41/23/62/549412362.db2.gz UXVSQGBQTKKEPA-QGZVFWFLSA-N 1 0 369.513 2.042 50 0 FEAARO CCCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1=O ZINC000252501890 549669754 /nfs/dbraw/zinc/66/97/54/549669754.db2.gz UKMACZNVJFEBJE-LJQANCHMSA-N 1 0 372.513 2.305 50 0 FEAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)C1 ZINC000252512076 549671825 /nfs/dbraw/zinc/67/18/25/549671825.db2.gz MEFCXFLNGHCPLT-GBAJDQEWSA-N 1 0 373.541 2.149 50 0 FEAARO O=C(c1cccs1)N1CCC([NH2+][C@H]2C[C@H](c3cc(=O)[nH]cn3)C2)CC1 ZINC000253535345 549690142 /nfs/dbraw/zinc/69/01/42/549690142.db2.gz MFXISWNTEUEYPV-MQMHXKEQSA-N 1 0 358.467 2.384 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2cc(Br)c3c(c2)OCCO3)C1 ZINC000255055041 549703157 /nfs/dbraw/zinc/70/31/57/549703157.db2.gz XLQCVIXGVSKMGI-BIOMNHJASA-N 1 0 367.243 2.041 50 0 FEAARO CC(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257183830 549713565 /nfs/dbraw/zinc/71/35/65/549713565.db2.gz SJEVVNZHEHZBHQ-IBGZPJMESA-N 1 0 374.529 2.352 50 0 FEAARO CC[NH+]1CCC2(CC1)CN(C(=O)Cn1ccnc1)Cc1ccccc1O2 ZINC000257185031 549713856 /nfs/dbraw/zinc/71/38/56/549713856.db2.gz JCRZETFPJDCAMM-UHFFFAOYSA-N 1 0 354.454 2.159 50 0 FEAARO O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282666177 551257146 /nfs/dbraw/zinc/25/71/46/551257146.db2.gz GQZGKWFHFXTPEH-LJQANCHMSA-N 1 0 368.481 2.116 50 0 FEAARO Cc1nnc(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)n1C ZINC000286587758 551902852 /nfs/dbraw/zinc/90/28/52/551902852.db2.gz VSUMBTITVNHUHD-UHFFFAOYSA-N 1 0 355.486 2.085 50 0 FEAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(OCCC[NH3+])c(Cl)c1)C2 ZINC000299771774 553613111 /nfs/dbraw/zinc/61/31/11/553613111.db2.gz XMATWRYFZVHYQW-UHFFFAOYSA-N 1 0 362.817 2.028 50 0 FEAARO Cc1ccc(C(=O)N2CCC[C@H](CN3CCCC3=O)C2)cc1OCCC[NH3+] ZINC000299781689 553614100 /nfs/dbraw/zinc/61/41/00/553614100.db2.gz DZOFXLUDXZOXAK-QGZVFWFLSA-N 1 0 373.497 2.197 50 0 FEAARO CC1(C)C[C@H](C[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)CCO1 ZINC000299788198 553614646 /nfs/dbraw/zinc/61/46/46/553614646.db2.gz XQHLTOBZSBNYGX-OAHLLOKOSA-N 1 0 356.474 2.306 50 0 FEAARO CC(C)C[C@H](NC(=O)Nc1ccccc1OC1CC[NH+](C)CC1)C(N)=O ZINC000299787684 553614792 /nfs/dbraw/zinc/61/47/92/553614792.db2.gz ZFQLKEXNAKCXMZ-INIZCTEOSA-N 1 0 362.474 2.181 50 0 FEAARO Cc1cc(NC(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)cc1F ZINC000299802718 553616388 /nfs/dbraw/zinc/61/63/88/553616388.db2.gz WBOXCANKODEHEP-NSHDSACASA-N 1 0 356.829 2.106 50 0 FEAARO CC(C)c1nn(C)cc1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000331917472 554346416 /nfs/dbraw/zinc/34/64/16/554346416.db2.gz ZRGITRDIHUSKHT-IRXDYDNUSA-N 1 0 363.506 2.433 50 0 FEAARO CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375046250 557969539 /nfs/dbraw/zinc/96/95/39/557969539.db2.gz IPFFHPOSEPYGNP-VQTJNVASSA-N 1 0 367.497 2.084 50 0 FEAARO NC(=O)C1CC[NH+](C2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000390826665 558611861 /nfs/dbraw/zinc/61/18/61/558611861.db2.gz BBSAMROUHHYUQA-UHFFFAOYSA-N 1 0 370.375 2.119 50 0 FEAARO Cn1cc(CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C2CC2)cn1 ZINC000426489459 559735774 /nfs/dbraw/zinc/73/57/74/559735774.db2.gz ZVEGLGCVINTRNB-UHFFFAOYSA-N 1 0 368.485 2.154 50 0 FEAARO Cc1ccc([C@]2(C(=O)N3CCC(=O)N(CC[NH+](C)C)CC3)CC2(C)C)cc1 ZINC000426523519 559736860 /nfs/dbraw/zinc/73/68/60/559736860.db2.gz OMVPPIPJFXJJJE-QFIPXVFZSA-N 1 0 371.525 2.285 50 0 FEAARO COc1c(F)cc(-c2cccc(C(=O)NC[C@H](O)C[NH+](C)C)c2)cc1F ZINC000426535385 559737075 /nfs/dbraw/zinc/73/70/75/559737075.db2.gz CLGWODAMNBZILT-HNNXBMFYSA-N 1 0 364.392 2.293 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)NCCc2cccc3ccccc32)C1 ZINC000426615155 559739045 /nfs/dbraw/zinc/73/90/45/559739045.db2.gz MTQRWRCHXZFJES-OAQYLSRUSA-N 1 0 355.482 2.480 50 0 FEAARO [NH3+]CCOc1ccc(CC(=O)NC2CCN(c3ccccc3F)CC2)cc1 ZINC000426634108 559739317 /nfs/dbraw/zinc/73/93/17/559739317.db2.gz XNQCALQCELZXQN-UHFFFAOYSA-N 1 0 371.456 2.491 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)c(OCC[NH3+])c1 ZINC000426651235 559739578 /nfs/dbraw/zinc/73/95/78/559739578.db2.gz GKDUYDJEKKKYKY-MRXNPFEDSA-N 1 0 372.469 2.090 50 0 FEAARO COc1ccc2oc(C[NH2+]C3CCN(C(=O)c4cnccn4)CC3)nc2c1 ZINC000534637127 562538898 /nfs/dbraw/zinc/53/88/98/562538898.db2.gz NPVWCHJLKSGPPI-UHFFFAOYSA-N 1 0 367.409 2.021 50 0 FEAARO Cc1cccnc1CN1CCN(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000534658122 562539433 /nfs/dbraw/zinc/53/94/33/562539433.db2.gz CJKYKLUGKHSQDK-UHFFFAOYSA-N 1 0 359.518 2.093 50 0 FEAARO Cc1nnsc1CNC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000584903291 570509970 /nfs/dbraw/zinc/50/99/70/570509970.db2.gz WKCVBQZAKWXTSI-UHFFFAOYSA-N 1 0 371.510 2.231 50 0 FEAARO C[NH+]1CCN(CC(C)(C)NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000426434487 570605082 /nfs/dbraw/zinc/60/50/82/570605082.db2.gz PRBJPDOHGIOSPD-QGZVFWFLSA-N 1 0 362.493 2.351 50 0 FEAARO CN(C)c1ccc(NC(=O)NC[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)cn1 ZINC000048091795 570934198 /nfs/dbraw/zinc/93/41/98/570934198.db2.gz CMMLMPAXAPOANN-LPHOPBHVSA-N 1 0 371.485 2.181 50 0 FEAARO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nncn1C ZINC000084714590 571097513 /nfs/dbraw/zinc/09/75/13/571097513.db2.gz MBFDFDVKADJVMK-BQFCYCMXSA-N 1 0 370.501 2.428 50 0 FEAARO Cc1ccccc1[C@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCO1 ZINC000685941314 571100903 /nfs/dbraw/zinc/10/09/03/571100903.db2.gz CJOFJJMIDHPOSR-GOSISDBHSA-N 1 0 354.454 2.399 50 0 FEAARO CC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820119 571292901 /nfs/dbraw/zinc/29/29/01/571292901.db2.gz RYDGIZCZLRTAPQ-FQEVSTJZSA-N 1 0 357.498 2.369 50 0 FEAARO CCOC(=O)N1CC[C@@H]([NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)C1 ZINC000584887270 571314045 /nfs/dbraw/zinc/31/40/45/571314045.db2.gz NKYBCNYRXQEQSG-OAHLLOKOSA-N 1 0 357.454 2.227 50 0 FEAARO O=C(NCc1csc(-c2ncccn2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000584899050 571315955 /nfs/dbraw/zinc/31/59/55/571315955.db2.gz FVGGDJDPESQFPV-UHFFFAOYSA-N 1 0 372.498 2.370 50 0 FEAARO Nc1nc2c(c(C(=O)N[C@@H]3CCC[N@H+](Cc4cccs4)C3)n1)CCCC2 ZINC000670440551 571348841 /nfs/dbraw/zinc/34/88/41/571348841.db2.gz MUPOWCUHZKSXNR-CYBMUJFWSA-N 1 0 371.510 2.394 50 0 FEAARO CCc1nc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)c[nH]1 ZINC000670468138 571359071 /nfs/dbraw/zinc/35/90/71/571359071.db2.gz WBPXIPMXLXVASZ-OAHLLOKOSA-N 1 0 362.499 2.048 50 0 FEAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012433237 670002066 /nfs/dbraw/zinc/00/20/66/670002066.db2.gz LXIAHPKDTIVBTH-QGZVFWFLSA-N 1 0 368.547 2.405 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCSc2nncn2C)c(F)c1 ZINC000012444577 670002097 /nfs/dbraw/zinc/00/20/97/670002097.db2.gz IWJSRKVTDNRUOR-UHFFFAOYSA-N 1 0 362.434 2.235 50 0 FEAARO CCn1nc(C)c(C[NH+]2CCC(CCC(=O)NCCOC)CC2)c1C ZINC000012712809 670003468 /nfs/dbraw/zinc/00/34/68/670003468.db2.gz ISRRRHSZRCXQOU-UHFFFAOYSA-N 1 0 350.507 2.275 50 0 FEAARO C[NH+]1CCC(OC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1 ZINC000169760702 672321474 /nfs/dbraw/zinc/32/14/74/672321474.db2.gz XTBSWMWDKHOTBS-UHFFFAOYSA-N 1 0 374.453 2.229 50 0 FEAARO COc1c(OC[C@H](O)C[NH2+]CC(C)C)cc2c(C)cc(=O)oc2c1OC ZINC000002000746 539344214 /nfs/dbraw/zinc/34/42/14/539344214.db2.gz HIHJZLNZGYQNBN-CYBMUJFWSA-N 1 0 365.426 2.104 50 0 FEAARO COC(=O)c1ccccc1NC(=O)C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000003217191 539361122 /nfs/dbraw/zinc/36/11/22/539361122.db2.gz SSWWCDXHQATPEI-UHFFFAOYSA-N 1 0 372.421 2.261 50 0 FEAARO Cc1ccc(NC(=O)COc2ccccc2C(=O)NCC[NH+](C)C)cc1 ZINC000003438623 539366311 /nfs/dbraw/zinc/36/63/11/539366311.db2.gz FZIYKFPASKQQPB-UHFFFAOYSA-N 1 0 355.438 2.304 50 0 FEAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)Cn2ccc3ccccc32)C1 ZINC000003999814 539374191 /nfs/dbraw/zinc/37/41/91/539374191.db2.gz IFMBCKPKASNHBO-QXAKKESOSA-N 1 0 363.461 2.283 50 0 biogenic FEAARO COc1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000005089668 539402380 /nfs/dbraw/zinc/40/23/80/539402380.db2.gz DHLQVKFPRJHAOU-UHFFFAOYSA-N 1 0 355.438 2.465 50 0 FEAARO O=S(=O)(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccccc1 ZINC000011697849 539533087 /nfs/dbraw/zinc/53/30/87/539533087.db2.gz FCMYMCBDEOIIQE-UHFFFAOYSA-N 1 0 370.438 2.006 50 0 FEAARO COc1cc(C[NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)cc2c1OCO2 ZINC000012073912 539541518 /nfs/dbraw/zinc/54/15/18/539541518.db2.gz PIBDVMOLSTZKFF-CQSZACIVSA-N 1 0 356.426 2.447 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000012180132 539547769 /nfs/dbraw/zinc/54/77/69/539547769.db2.gz QMGKANATMRUCEC-WMZOPIPTSA-N 1 0 358.486 2.192 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[NH+](CC)CC3)nc2)on1 ZINC000012476326 539562437 /nfs/dbraw/zinc/56/24/37/539562437.db2.gz JXOUGGYLBVDUNC-UHFFFAOYSA-N 1 0 357.458 2.094 50 0 FEAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000012812356 539575512 /nfs/dbraw/zinc/57/55/12/539575512.db2.gz QCPIDGVMTSPZEE-IBGZPJMESA-N 1 0 373.497 2.336 50 0 FEAARO C[C@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000012989117 539581589 /nfs/dbraw/zinc/58/15/89/539581589.db2.gz YRYVNBWNEMTNEP-SJCJKPOMSA-N 1 0 373.840 2.270 50 0 FEAARO C[NH2+]CCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013736221 539591306 /nfs/dbraw/zinc/59/13/06/539591306.db2.gz UYQXOUIIOVXQID-UHFFFAOYSA-N 1 0 368.441 2.162 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)Cn3cncn3)C2)cc1 ZINC000015070330 539610274 /nfs/dbraw/zinc/61/02/74/539610274.db2.gz HRVVFQVXEUFBPL-LJQANCHMSA-N 1 0 355.486 2.257 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000015069423 539610915 /nfs/dbraw/zinc/61/09/15/539610915.db2.gz VTIMFNMBWHJDTK-KRWDZBQOSA-N 1 0 369.469 2.360 50 0 FEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3cccc(C)n3)C2=O)c1 ZINC000015075683 539611690 /nfs/dbraw/zinc/61/16/90/539611690.db2.gz RCKZCKXAFWRMBN-NRFANRHFSA-N 1 0 353.466 2.342 50 0 FEAARO COc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019556772 539661152 /nfs/dbraw/zinc/66/11/52/539661152.db2.gz KHWMYTSEJQOBMD-SQNIBIBYSA-N 1 0 356.466 2.430 50 0 FEAARO O=C(c1nc2sccn2c1C[NH2+]CCc1cccnc1)N1CCCC1 ZINC000019840879 539669696 /nfs/dbraw/zinc/66/96/96/539669696.db2.gz XCFGSACKUVUDJT-UHFFFAOYSA-N 1 0 355.467 2.359 50 0 FEAARO COc1cc(OC)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000020373183 539674304 /nfs/dbraw/zinc/67/43/04/539674304.db2.gz LOHZBAULSPCNSD-UHFFFAOYSA-N 1 0 356.426 2.103 50 0 FEAARO Cc1cc(C[NH2+]C2CCN(c3ccc(N4CCN(C)C4=O)cc3)CC2)[nH]n1 ZINC000020878229 539678277 /nfs/dbraw/zinc/67/82/77/539678277.db2.gz MCYSKHVDDNIKPO-UHFFFAOYSA-N 1 0 368.485 2.349 50 0 FEAARO CN1c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938603 539689527 /nfs/dbraw/zinc/68/95/27/539689527.db2.gz WPRZUSKXOOSFTN-SFHVURJKSA-N 1 0 370.497 2.238 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000022937397 539703825 /nfs/dbraw/zinc/70/38/25/539703825.db2.gz WJASUWVKGXZDMD-UHFFFAOYSA-N 1 0 374.510 2.259 50 0 FEAARO CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000023106681 539706265 /nfs/dbraw/zinc/70/62/65/539706265.db2.gz XIWKJYMFUVPXKL-OAHLLOKOSA-N 1 0 360.483 2.172 50 0 FEAARO CC(=O)Nc1ccc(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000023641529 539717804 /nfs/dbraw/zinc/71/78/04/539717804.db2.gz AZLDKFAFIDKTAY-UHFFFAOYSA-N 1 0 373.497 2.339 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccsc1 ZINC000025331943 539756124 /nfs/dbraw/zinc/75/61/24/539756124.db2.gz NIOUIRYJIPDYLL-KRWDZBQOSA-N 1 0 355.467 2.421 50 0 FEAARO NC(=O)c1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000027441535 539807109 /nfs/dbraw/zinc/80/71/09/539807109.db2.gz UOAAKNKDLUUNNH-UHFFFAOYSA-N 1 0 355.413 2.319 50 0 FEAARO COc1ccccc1OCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225563017 209818601 /nfs/dbraw/zinc/81/86/01/209818601.db2.gz JSOCOUHZAVYUJF-UHFFFAOYSA-N 1 0 362.470 2.081 50 0 FEAARO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Br)c(C)n1 ZINC000225524835 209817887 /nfs/dbraw/zinc/81/78/87/209817887.db2.gz KKALXAUACYUIAW-GFCCVEGCSA-N 1 0 373.295 2.367 50 0 FEAARO Nc1ccc2c(c1)nc1n2CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000032124392 539930050 /nfs/dbraw/zinc/93/00/50/539930050.db2.gz SDXBHNNQUZOQOX-WMLDXEAASA-N 1 0 353.470 2.225 50 0 FEAARO O=C(CC[N@@H+]1CCc2sccc2C1)N1CCN(c2ccccn2)CC1 ZINC000032776787 539952923 /nfs/dbraw/zinc/95/29/23/539952923.db2.gz XZGXOPRHEQCCLH-UHFFFAOYSA-N 1 0 356.495 2.240 50 0 FEAARO CC1CC[NH+](CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)CC1 ZINC000004688070 219595061 /nfs/dbraw/zinc/59/50/61/219595061.db2.gz SITUBJYJWSPECR-UHFFFAOYSA-N 1 0 370.497 2.251 50 0 FEAARO C[NH+](C)CCC[NH2+][C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000056964163 540758884 /nfs/dbraw/zinc/75/88/84/540758884.db2.gz BIRUITNWPJGDDI-CYBMUJFWSA-N 1 0 362.257 2.317 50 0 FEAARO O=C(CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000057171029 540775061 /nfs/dbraw/zinc/77/50/61/540775061.db2.gz ZDOXVNQORNAFAF-KRWDZBQOSA-N 1 0 352.438 2.191 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccccc2)n1)c1cccc(F)c1 ZINC000057498203 540800334 /nfs/dbraw/zinc/80/03/34/540800334.db2.gz GRLXIVFMRAHHLA-SFHVURJKSA-N 1 0 353.401 2.439 50 0 FEAARO CCCN1C2=C(C(=O)N(CC[NH+]3CCCC3)C2)[C@H](c2ccccc2)NC1=O ZINC000057531498 540801467 /nfs/dbraw/zinc/80/14/67/540801467.db2.gz BRTWOXVPLSFKRR-IBGZPJMESA-N 1 0 368.481 2.355 50 0 FEAARO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000238103539 209360270 /nfs/dbraw/zinc/36/02/70/209360270.db2.gz GITVCCKARWBOHG-HKUYNNGSSA-N 1 0 366.889 2.381 50 0 FEAARO O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@@H]1C[NH2+]CCO1 ZINC000237860984 209356956 /nfs/dbraw/zinc/35/69/56/209356956.db2.gz PORUUEQYWWEWSI-LBPRGKRZSA-N 1 0 355.225 2.165 50 0 FEAARO C[C@@H](CNC(=O)CCn1cnc2ccccc2c1=O)[NH+]1CCC(C)CC1 ZINC000058245811 540836104 /nfs/dbraw/zinc/83/61/04/540836104.db2.gz GQRXYIXHARGGDK-INIZCTEOSA-N 1 0 356.470 2.023 50 0 FEAARO Cc1nn(-c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)c(C)c1Br ZINC000237661031 209352087 /nfs/dbraw/zinc/35/20/87/209352087.db2.gz OEQCXZKOCSWBFR-ZDUSSCGKSA-N 1 0 363.259 2.425 50 0 FEAARO CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058431463 540842988 /nfs/dbraw/zinc/84/29/88/540842988.db2.gz KRWBNFADOZVYAH-SFHVURJKSA-N 1 0 360.502 2.066 50 0 FEAARO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000237275251 209342555 /nfs/dbraw/zinc/34/25/55/209342555.db2.gz PQVODIMJNJMPIT-APWZRJJASA-N 1 0 362.470 2.006 50 0 FEAARO Cc1ncccc1OC1(C(=O)N[C@@H](C)Cc2ccncc2)CC[NH2+]CC1 ZINC000065372023 541234851 /nfs/dbraw/zinc/23/48/51/541234851.db2.gz IEAALMFPZSNAKU-HNNXBMFYSA-N 1 0 354.454 2.033 50 0 FEAARO COc1ccc(F)cc1S(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065365719 541235454 /nfs/dbraw/zinc/23/54/54/541235454.db2.gz GNIBKGLONVFQEI-OKILXGFUSA-N 1 0 358.479 2.481 50 0 FEAARO CC(C)Cc1noc([C@H](C)n2cnc3sc4c(c3c2=O)CC[NH2+]C4)n1 ZINC000065394051 541235816 /nfs/dbraw/zinc/23/58/16/541235816.db2.gz JPEDKKPEVPBOTP-JTQLQIEISA-N 1 0 359.455 2.295 50 0 FEAARO Cc1cc(NC(=O)CN2CC[N@H+](CC3CC3)[C@H](CCO)C2)ccc1Cl ZINC000065406977 541236465 /nfs/dbraw/zinc/23/64/65/541236465.db2.gz YXGRQPDYBYRWPU-QGZVFWFLSA-N 1 0 365.905 2.366 50 0 FEAARO C[C@@H](CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2)n1ccnc1 ZINC000065408686 541237000 /nfs/dbraw/zinc/23/70/00/541237000.db2.gz DVCDMAKGKWPFFN-HNNXBMFYSA-N 1 0 363.469 2.487 50 0 FEAARO Cc1ccc(OC2(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)CC[NH2+]CC2)cc1 ZINC000065528793 541244072 /nfs/dbraw/zinc/24/40/72/541244072.db2.gz WGZDUJOYLQZTTL-VQTJNVASSA-N 1 0 366.461 2.271 50 0 FEAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)n1 ZINC000067689102 541499638 /nfs/dbraw/zinc/49/96/38/541499638.db2.gz BIUDXSLJPFEJHX-QFIPXVFZSA-N 1 0 367.493 2.466 50 0 FEAARO C[N@@H+]1CCCC2(CCN(C(=O)c3nc4ccccc4[nH]c3=O)CC2)CC1 ZINC000067726170 541506071 /nfs/dbraw/zinc/50/60/71/541506071.db2.gz QVNKLAMXRVSZLY-UHFFFAOYSA-N 1 0 354.454 2.261 50 0 FEAARO CC(C)(C[N@@H+]1CCC[C@H](c2nc(-c3cccnc3)no2)C1)N1CCOCC1 ZINC000067678120 541497515 /nfs/dbraw/zinc/49/75/15/541497515.db2.gz JYCUEVCJBAKWHJ-KRWDZBQOSA-N 1 0 371.485 2.422 50 0 FEAARO O[C@@H]1C[N@@H+](C2CSCCSC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067774253 541511824 /nfs/dbraw/zinc/51/18/24/541511824.db2.gz PEJVWXQGMFVERQ-LSDHHAIUSA-N 1 0 353.509 2.414 50 0 FEAARO O=C([C@@H]1CCCC[NH2+]1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067773614 541512036 /nfs/dbraw/zinc/51/20/36/541512036.db2.gz ZYCCVOXGUBPXFY-KRWDZBQOSA-N 1 0 353.422 2.317 50 0 FEAARO [NH3+]CC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067774784 541512143 /nfs/dbraw/zinc/51/21/43/541512143.db2.gz XVFAUMNRCVXCNJ-UHFFFAOYSA-N 1 0 355.419 2.349 50 0 FEAARO O=c1[nH]nc(CC2CC[NH+](Cc3ccc(CO)o3)CC2)n1-c1ccccc1 ZINC000067785096 541513643 /nfs/dbraw/zinc/51/36/43/541513643.db2.gz JKKGLWDDXGPSAF-UHFFFAOYSA-N 1 0 368.437 2.101 50 0 FEAARO Cc1ncc(CO)c(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1O ZINC000067742417 541507552 /nfs/dbraw/zinc/50/75/52/541507552.db2.gz AMONQAILJCQHSF-FQEVSTJZSA-N 1 0 367.493 2.263 50 0 FEAARO CCOC(=O)N1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CC1 ZINC000067742307 541507858 /nfs/dbraw/zinc/50/78/58/541507858.db2.gz VEVOCRFZWXTVJE-UHFFFAOYSA-N 1 0 367.453 2.068 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)CC3(CO)CC3)C2=O)cc1 ZINC000067757510 541508446 /nfs/dbraw/zinc/50/84/46/541508446.db2.gz CHMJINHGXFRZLO-JOCHJYFZSA-N 1 0 374.525 2.368 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)no1 ZINC000067756308 541508744 /nfs/dbraw/zinc/50/87/44/541508744.db2.gz RIIACMYNXGPQTM-AWEZNQCLSA-N 1 0 359.426 2.428 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3ccoc3)C2=O)c1 ZINC000067842128 541519820 /nfs/dbraw/zinc/51/98/20/541519820.db2.gz RAKVXNLBLFHGRK-IBGZPJMESA-N 1 0 362.401 2.071 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCn3cccn3)C2=O)cc1 ZINC000067965492 541533727 /nfs/dbraw/zinc/53/37/27/541533727.db2.gz NTPVOKKPNADHLN-NRFANRHFSA-N 1 0 370.497 2.150 50 0 FEAARO Cc1cc2nc(C[NH2+]C3CCN(C(=O)[C@H]4CCCO4)CC3)[nH]c2cc1C ZINC000067973993 541534273 /nfs/dbraw/zinc/53/42/73/541534273.db2.gz YLVYVZHSZBBNQV-GOSISDBHSA-N 1 0 356.470 2.439 50 0 FEAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000097759466 209196840 /nfs/dbraw/zinc/19/68/40/209196840.db2.gz NGFZKDJMKYOQRQ-GOSISDBHSA-N 1 0 367.449 2.059 50 0 FEAARO CC[C@H](CNc1ncnc2c1Cc1ccccc1OC2)N1CC[NH+](C)CC1 ZINC000097655409 209191962 /nfs/dbraw/zinc/19/19/62/209191962.db2.gz PNLCNHCXCCCFRF-QGZVFWFLSA-N 1 0 367.497 2.398 50 0 FEAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000097657136 209191195 /nfs/dbraw/zinc/19/11/95/209191195.db2.gz WXQCWUSEZCGQGG-CQSZACIVSA-N 1 0 370.432 2.012 50 0 FEAARO Cc1ccnc(-n2nc(COc3ccccc3)nc2C[C@H]2COCC[NH2+]2)c1 ZINC000097642472 209190464 /nfs/dbraw/zinc/19/04/64/209190464.db2.gz QLRYMNNOMXSWQK-INIZCTEOSA-N 1 0 365.437 2.081 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(-n2cnnc2)c1)c1ccco1 ZINC000097522140 209184148 /nfs/dbraw/zinc/18/41/48/209184148.db2.gz PVCIKWYSYLYHOJ-HNNXBMFYSA-N 1 0 354.414 2.068 50 0 FEAARO Cn1ccnc1CN(CCO)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000097436929 209181345 /nfs/dbraw/zinc/18/13/45/209181345.db2.gz DIFACIFZYRIKOO-UHFFFAOYSA-N 1 0 356.470 2.041 50 0 FEAARO CN(CCO)c1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nn1 ZINC000071415591 541767525 /nfs/dbraw/zinc/76/75/25/541767525.db2.gz YDAVYHPJVCCGAB-KRWDZBQOSA-N 1 0 356.470 2.352 50 0 FEAARO CC(C)[C@H]1C[N@H+](CCC(=O)N(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071707816 541768142 /nfs/dbraw/zinc/76/81/42/541768142.db2.gz GJHSMOSOIXSOBC-GOSISDBHSA-N 1 0 363.477 2.363 50 0 FEAARO CCn1cc2[nH]c(OC)c(C[NH2+]C3CSCCSC3)cc-2c1=O ZINC000071638979 541768273 /nfs/dbraw/zinc/76/82/73/541768273.db2.gz NLUDFTQALFMXPF-UHFFFAOYSA-N 1 0 353.513 2.004 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681764 541768693 /nfs/dbraw/zinc/76/86/93/541768693.db2.gz OGBWEOUBCYTDMN-SFHVURJKSA-N 1 0 356.514 2.380 50 0 FEAARO CC(=O)Nn1c(C)cc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1C ZINC000071735654 541769907 /nfs/dbraw/zinc/76/99/07/541769907.db2.gz YNHLRRMGUVSNIS-UHFFFAOYSA-N 1 0 355.486 2.298 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071754584 541770178 /nfs/dbraw/zinc/77/01/78/541770178.db2.gz IUULYRRSLQIXKM-GOSISDBHSA-N 1 0 372.444 2.282 50 0 FEAARO Cc1cccn2c(CN3CC[NH+](C)CC3)c(C(=O)N3CCCCC3)nc12 ZINC000071751439 541770441 /nfs/dbraw/zinc/77/04/41/541770441.db2.gz GIVSYPNXNKZHCE-UHFFFAOYSA-N 1 0 355.486 2.016 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071754583 541770729 /nfs/dbraw/zinc/77/07/29/541770729.db2.gz IUULYRRSLQIXKM-SFHVURJKSA-N 1 0 372.444 2.282 50 0 FEAARO COC(=O)C1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCCCC1 ZINC000071850274 541774273 /nfs/dbraw/zinc/77/42/73/541774273.db2.gz UWCULXHHRVTHQN-QGZVFWFLSA-N 1 0 359.470 2.286 50 0 FEAARO CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072134771 541786115 /nfs/dbraw/zinc/78/61/15/541786115.db2.gz MNWXLHWPYFEUGG-MRXNPFEDSA-N 1 0 363.421 2.481 50 0 FEAARO CCN(CC)S(=O)(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072141817 541787069 /nfs/dbraw/zinc/78/70/69/541787069.db2.gz ZVNFJGSFGLFEDA-SFHVURJKSA-N 1 0 353.532 2.260 50 0 FEAARO Cc1c(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c2cc(O)ccc2n1C ZINC000072150584 541789662 /nfs/dbraw/zinc/78/96/62/541789662.db2.gz JPCPIHBZPWMIIL-UHFFFAOYSA-N 1 0 364.449 2.471 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)n(C)n1 ZINC000072152515 541790148 /nfs/dbraw/zinc/79/01/48/541790148.db2.gz JVAOZSCBLLIZEG-MRXNPFEDSA-N 1 0 370.501 2.138 50 0 FEAARO CC(C)COC(=O)N1CCC([NH2+][C@H](CO)Cc2ccc(O)cc2)CC1 ZINC000097377090 209179694 /nfs/dbraw/zinc/17/96/94/209179694.db2.gz LGKBLSCPASLHJP-KRWDZBQOSA-N 1 0 350.459 2.142 50 0 FEAARO COc1ccc([C@@H]2CN(Cc3nccn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072156367 541791556 /nfs/dbraw/zinc/79/15/56/541791556.db2.gz RCYYBUZISVHWQV-CEWLAPEOSA-N 1 0 352.482 2.491 50 0 FEAARO C[NH+](C)C1(CNC(=O)Nc2ccnn2C[C@@H]2CC=CCC2)CCOCC1 ZINC000097370455 209179559 /nfs/dbraw/zinc/17/95/59/209179559.db2.gz SVSWBFSFSHUOPV-MRXNPFEDSA-N 1 0 361.490 2.472 50 0 FEAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3cnc(SCc4ccccc4)nc3)C[C@H]2C[C@@H]1O ZINC000072161150 541792483 /nfs/dbraw/zinc/79/24/83/541792483.db2.gz HVCQTAVTWXBAHQ-SEXKYXSUSA-N 1 0 371.506 2.333 50 0 FEAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCN(CCc2ccncc2)CC1 ZINC000072169256 541794857 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CS(=O)(=O)c1cnc(N2CCCCCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072423527 541809870 /nfs/dbraw/zinc/80/98/70/541809870.db2.gz XXFPUNZKGIJNMI-AWEZNQCLSA-N 1 0 352.504 2.118 50 0 FEAARO Cc1cc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc2sc(N)nc21 ZINC000072427948 541812007 /nfs/dbraw/zinc/81/20/07/541812007.db2.gz JKUYMGDKNNANLQ-UHFFFAOYSA-N 1 0 367.478 2.466 50 0 FEAARO Cc1nnc(SCCCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)s1 ZINC000072432001 541812443 /nfs/dbraw/zinc/81/24/43/541812443.db2.gz ZNEWPBHKQVWKJR-UHFFFAOYSA-N 1 0 361.500 2.192 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072432005 541812800 /nfs/dbraw/zinc/81/28/00/541812800.db2.gz CVTGCIWXIFLROM-UHFFFAOYSA-N 1 0 365.518 2.299 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cnc(CN3CCCC3)s1)CC[NH2+]C2 ZINC000072439935 541814959 /nfs/dbraw/zinc/81/49/59/541814959.db2.gz FSRWTUASKYOCCT-UHFFFAOYSA-N 1 0 371.510 2.018 50 0 FEAARO c1coc(C[N@@H+]2CCc3ncnc(NCCCn4ccnc4)c3CC2)c1 ZINC000072467964 541817858 /nfs/dbraw/zinc/81/78/58/541817858.db2.gz NMZHONCDXIWKID-UHFFFAOYSA-N 1 0 352.442 2.369 50 0 FEAARO CS(=O)(=O)c1cnc(NCCc2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072448295 541816019 /nfs/dbraw/zinc/81/60/19/541816019.db2.gz YLABSGDEQRBILI-OAHLLOKOSA-N 1 0 360.483 2.002 50 0 FEAARO C[C@H](C1CCN(C(=O)c2cc(C(F)(F)F)nn2C)CC1)[NH+]1CCOCC1 ZINC000072478993 541820321 /nfs/dbraw/zinc/82/03/21/541820321.db2.gz ZZPNFXGZMWTTOU-GFCCVEGCSA-N 1 0 374.407 2.012 50 0 FEAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn2cccnc2n1 ZINC000097173388 209174214 /nfs/dbraw/zinc/17/42/14/209174214.db2.gz DMEOAPZQIUBHPT-KRWDZBQOSA-N 1 0 353.401 2.435 50 0 FEAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000096180570 209131529 /nfs/dbraw/zinc/13/15/29/209131529.db2.gz NOMROTYTTSDIEA-ROUUACIJSA-N 1 0 355.442 2.140 50 0 FEAARO Cc1ccc(NC(=O)N(C)C2CC[NH+](C)CC2)cc1NC(=O)CN(C)C ZINC000096133255 209117496 /nfs/dbraw/zinc/11/74/96/209117496.db2.gz CSJQLHPMVKODDT-UHFFFAOYSA-N 1 0 361.490 2.053 50 0 FEAARO C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000075094407 542151282 /nfs/dbraw/zinc/15/12/82/542151282.db2.gz ABCGSJREGJHEKE-HUUCEWRRSA-N 1 0 356.532 2.065 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 ZINC000075346788 542171682 /nfs/dbraw/zinc/17/16/82/542171682.db2.gz QGILOUCUGBYHST-UHFFFAOYSA-N 1 0 365.481 2.474 50 0 FEAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1C[C@@H]1COc2ccccc2O1 ZINC000299756917 206632469 /nfs/dbraw/zinc/63/24/69/206632469.db2.gz KBALBNKOLYIZFF-ZWKOTPCHSA-N 1 0 367.449 2.392 50 0 FEAARO CC[NH+](CC)CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067602 207077368 /nfs/dbraw/zinc/07/73/68/207077368.db2.gz NLWYTFVYMKSURL-UHFFFAOYSA-N 1 0 359.470 2.156 50 0 FEAARO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1 ZINC000006949176 207180892 /nfs/dbraw/zinc/18/08/92/207180892.db2.gz KSXJVUXRFONQBG-OAHLLOKOSA-N 1 0 364.471 2.174 50 0 FEAARO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Br)s1 ZINC000007728104 207205054 /nfs/dbraw/zinc/20/50/54/207205054.db2.gz LDNLIEKLHJBIQT-UHFFFAOYSA-N 1 0 353.307 2.275 50 0 FEAARO CC(C)Cn1nc(C(=O)NCC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC000007957022 207213141 /nfs/dbraw/zinc/21/31/41/207213141.db2.gz SOTYOOTUCDRDOX-UHFFFAOYSA-N 1 0 358.486 2.370 50 0 FEAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356192 207268135 /nfs/dbraw/zinc/26/81/35/207268135.db2.gz WHHLEAHHPFCONZ-AWEZNQCLSA-N 1 0 369.425 2.324 50 0 FEAARO O=C(C1CC[NH+](Cc2cccnc2)CC1)N(CCO)Cc1ccccc1 ZINC000009434667 207271522 /nfs/dbraw/zinc/27/15/22/207271522.db2.gz SVVATURINPYZPT-UHFFFAOYSA-N 1 0 353.466 2.315 50 0 FEAARO C[N@H+](CCCNC(=O)CNC(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000009983969 207291003 /nfs/dbraw/zinc/29/10/03/207291003.db2.gz HMMDYPQIIWGSLL-UHFFFAOYSA-N 1 0 357.429 2.194 50 0 FEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]C1Cc2ccccc2C1 ZINC000011816866 207324065 /nfs/dbraw/zinc/32/40/65/207324065.db2.gz ALRRFFIZZNNHPP-JOCHJYFZSA-N 1 0 368.452 2.436 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000012303396 207355003 /nfs/dbraw/zinc/35/50/03/207355003.db2.gz IAKLPEHAFYGEAS-AWEZNQCLSA-N 1 0 361.511 2.343 50 0 FEAARO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)n[nH]2)c1 ZINC000012317275 207358384 /nfs/dbraw/zinc/35/83/84/207358384.db2.gz FIAYORSPMZXISN-KRWDZBQOSA-N 1 0 368.437 2.112 50 0 FEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(F)cc3OC)C2)C1=O ZINC000012581833 207398178 /nfs/dbraw/zinc/39/81/78/207398178.db2.gz QFJVOCSMCXPGAG-IBGZPJMESA-N 1 0 350.434 2.295 50 0 FEAARO CCCC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014731212 207526249 /nfs/dbraw/zinc/52/62/49/207526249.db2.gz ILKOZAWWMVGOTE-MRXNPFEDSA-N 1 0 362.518 2.259 50 0 FEAARO CC[C@H](CNS(=O)(=O)N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000032825771 208047902 /nfs/dbraw/zinc/04/79/02/208047902.db2.gz UXACIDJFPHEHTR-LJQANCHMSA-N 1 0 365.543 2.390 50 0 FEAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCNC(=O)c2ccco2)CC1 ZINC000031766779 208015222 /nfs/dbraw/zinc/01/52/22/208015222.db2.gz YRTXTXFJTOADNV-UHFFFAOYSA-N 1 0 369.465 2.442 50 0 FEAARO Cc1c(C(=O)NCc2ccccc2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000069779232 208121561 /nfs/dbraw/zinc/12/15/61/208121561.db2.gz SQUSQGKLIVWXRS-UHFFFAOYSA-N 1 0 361.449 2.494 50 0 FEAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COCC(C)C ZINC000036097122 208146817 /nfs/dbraw/zinc/14/68/17/208146817.db2.gz AQTINUZIFHWHSV-QGZVFWFLSA-N 1 0 355.475 2.186 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040073578 208224002 /nfs/dbraw/zinc/22/40/02/208224002.db2.gz LPYOSABQADEEAL-MOPGFXCFSA-N 1 0 357.498 2.068 50 0 FEAARO CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077319477 542366457 /nfs/dbraw/zinc/36/64/57/542366457.db2.gz UYKONTVGZIYICP-NRFANRHFSA-N 1 0 357.498 2.022 50 0 FEAARO CC(C)CN1C[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC1=O ZINC000041363373 208283661 /nfs/dbraw/zinc/28/36/61/208283661.db2.gz TUHJJHGUXVOBDZ-INIZCTEOSA-N 1 0 363.527 2.287 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C1 ZINC000299740373 208325388 /nfs/dbraw/zinc/32/53/88/208325388.db2.gz YZTJPKPRYZGHTN-AWEZNQCLSA-N 1 0 353.422 2.259 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000048301890 208397634 /nfs/dbraw/zinc/39/76/34/208397634.db2.gz HKHHNAVAPVXWCO-IYBDPMFKSA-N 1 0 370.497 2.389 50 0 FEAARO C[C@H](C1CCN(Cc2cnc(N3CCCC3)nc2)CC1)[NH+]1CCOCC1 ZINC000077344272 542370169 /nfs/dbraw/zinc/37/01/69/542370169.db2.gz RSTHHAGPVXGXFC-QGZVFWFLSA-N 1 0 359.518 2.010 50 0 FEAARO C[C@@H](Cc1cnccn1)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000077376664 542374328 /nfs/dbraw/zinc/37/43/28/542374328.db2.gz SRIOMAMQPASHCY-AWEZNQCLSA-N 1 0 374.872 2.378 50 0 FEAARO CC(=O)NCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077456484 542384323 /nfs/dbraw/zinc/38/43/23/542384323.db2.gz JNDYDDFUSAPQNC-OAQYLSRUSA-N 1 0 357.498 2.070 50 0 FEAARO Cn1cc(-c2nc(C(=O)N[C@H](Cc3ccccc3)C[NH+](C)C)cs2)cn1 ZINC000058232064 208572689 /nfs/dbraw/zinc/57/26/89/208572689.db2.gz ZBQAOGVAWLOUAA-MRXNPFEDSA-N 1 0 369.494 2.446 50 0 FEAARO O=c1c2c3c(sc2ncn1Cc1cccc(-n2cccn2)c1)C[NH2+]CC3 ZINC000077458135 542384987 /nfs/dbraw/zinc/38/49/87/542384987.db2.gz ROOQHPKHTLFWCM-UHFFFAOYSA-N 1 0 363.446 2.338 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccc3OC(F)F)C2)CN1CCO ZINC000077505487 542390036 /nfs/dbraw/zinc/39/00/36/542390036.db2.gz ZBHGMBKHFMLUGF-LJQANCHMSA-N 1 0 368.424 2.485 50 0 FEAARO O=C(CC1=CC[NH2+]CC1)Nc1ccccc1C(=O)NCc1ccccn1 ZINC000065372298 208667859 /nfs/dbraw/zinc/66/78/59/208667859.db2.gz HKBCASMMNAPHSH-UHFFFAOYSA-N 1 0 350.422 2.260 50 0 FEAARO CCC1=NO[C@H](Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)C1 ZINC000065398997 208674024 /nfs/dbraw/zinc/67/40/24/208674024.db2.gz FSKGUDOMBNNZLJ-SFHVURJKSA-N 1 0 369.469 2.131 50 0 FEAARO CN1CC[C@]2(CN(Cc3c[nH]nc3-c3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091848867 209000056 /nfs/dbraw/zinc/00/00/56/209000056.db2.gz ZCAJKSFVIDWLNU-NRFANRHFSA-N 1 0 367.497 2.205 50 0 FEAARO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1c(F)cccc1Cl)C2 ZINC000091907651 209003772 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2.204 50 0 FEAARO CN(C)[C@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095358616 209026012 /nfs/dbraw/zinc/02/60/12/209026012.db2.gz UALXEKIKIFRKNI-SFHVURJKSA-N 1 0 365.518 2.468 50 0 FEAARO C[N@@H+]1CCN(C(=O)CCc2ccccc2Cl)C[C@]12CCNC(=O)CC2 ZINC000095355960 209026843 /nfs/dbraw/zinc/02/68/43/209026843.db2.gz NJXSTIPTLOCRPE-IBGZPJMESA-N 1 0 363.889 2.086 50 0 FEAARO Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095384489 209042170 /nfs/dbraw/zinc/04/21/70/209042170.db2.gz BRVSHJBYNMZKNL-FXAWDEMLSA-N 1 0 364.493 2.282 50 0 FEAARO CN(C)[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccccc1F ZINC000095385082 209042548 /nfs/dbraw/zinc/04/25/48/209042548.db2.gz WZFJBMFJAUMJBI-GOSISDBHSA-N 1 0 365.518 2.468 50 0 FEAARO CC1CCC2(CC1)OC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)O2 ZINC000095464540 209055471 /nfs/dbraw/zinc/05/54/71/209055471.db2.gz QDXGPVNIMLXARP-WFUSOUOQSA-N 1 0 366.502 2.068 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000095497644 209059211 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Cc1nc2ccccn2c1C(=O)NCc1cc2n(n1)CC[N@@H+](CC(C)C)C2 ZINC000082136814 542685220 /nfs/dbraw/zinc/68/52/20/542685220.db2.gz FSTOLCPCDHCPIT-UHFFFAOYSA-N 1 0 366.469 2.241 50 0 FEAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000082167139 542686224 /nfs/dbraw/zinc/68/62/24/542686224.db2.gz RIVZGSRHWSXWMH-ZDUSSCGKSA-N 1 0 357.845 2.461 50 0 FEAARO Cc1ccc(CSc2nc(N)cc(N3CCO[C@@H](CC[NH3+])C3)n2)cc1 ZINC000095361255 132207935 /nfs/dbraw/zinc/20/79/35/132207935.db2.gz HDLZXXAHBKFBLW-HNNXBMFYSA-N 1 0 359.499 2.214 50 0 FEAARO c1cnc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)nc1 ZINC000095525053 132214571 /nfs/dbraw/zinc/21/45/71/132214571.db2.gz UQVXUVOHRPXFQL-UHFFFAOYSA-N 1 0 359.518 2.070 50 0 FEAARO CCOc1ccc(NC(=O)N2CCN(c3cc(N(C)C)cn[nH+]3)CC2)cc1 ZINC000096098678 132219108 /nfs/dbraw/zinc/21/91/08/132219108.db2.gz OPTQYELEJJRTNZ-UHFFFAOYSA-N 1 0 370.457 2.295 50 0 FEAARO OCC[C@@H]1CN(c2ncnc3c2CCC3)CC[N@@H+]1CCCc1ccccc1 ZINC000106988191 132240854 /nfs/dbraw/zinc/24/08/54/132240854.db2.gz WEUFOWSEPHNSNN-LJQANCHMSA-N 1 0 366.509 2.471 50 0 FEAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1nc[nH]n1 ZINC000019372244 132267549 /nfs/dbraw/zinc/26/75/49/132267549.db2.gz OPZDJNRYFSUWNO-UHFFFAOYSA-N 1 0 362.437 2.379 50 0 FEAARO COc1ccc([C@H](O)C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)cc1 ZINC000215532211 132270361 /nfs/dbraw/zinc/27/03/61/132270361.db2.gz KWHSSQNTNDVYJO-IBGZPJMESA-N 1 0 355.438 2.089 50 0 FEAARO Cc1cc(N2CCN(C(=O)CCN3Cc4ccccc4C3=O)CC2)cc[nH+]1 ZINC000219898572 132275147 /nfs/dbraw/zinc/27/51/47/132275147.db2.gz YHXHYPWDFRSZCF-UHFFFAOYSA-N 1 0 364.449 2.085 50 0 FEAARO O=C(c1ccc2occc2c1)N1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091425665 542806107 /nfs/dbraw/zinc/80/61/07/542806107.db2.gz LLEWAXUJKNLFON-MOPGFXCFSA-N 1 0 372.465 2.368 50 0 FEAARO CCNC(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091411079 542806382 /nfs/dbraw/zinc/80/63/82/542806382.db2.gz ICLPWMFAQNBNAP-LJQANCHMSA-N 1 0 369.509 2.383 50 0 FEAARO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)cn1 ZINC000091474828 542808981 /nfs/dbraw/zinc/80/89/81/542808981.db2.gz RQFLZGFYZQOHOS-DOTOQJQBSA-N 1 0 371.510 2.227 50 0 FEAARO Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1O ZINC000091504755 542810668 /nfs/dbraw/zinc/81/06/68/542810668.db2.gz WBUHPQLJPZGFSF-UHFFFAOYSA-N 1 0 373.497 2.107 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C[C@@H]1CO ZINC000091519111 542811353 /nfs/dbraw/zinc/81/13/53/542811353.db2.gz XYUMXVNBBMSKLY-QZTJIDSGSA-N 1 0 373.497 2.043 50 0 FEAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@@H+](C1CSCCSC1)C2 ZINC000091526251 542811744 /nfs/dbraw/zinc/81/17/44/542811744.db2.gz VIVSEQNBAAAPPA-GOSISDBHSA-N 1 0 370.584 2.329 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(CC)c1)CC2 ZINC000091636550 542817430 /nfs/dbraw/zinc/81/74/30/542817430.db2.gz GMBHBWQFVNUFMC-UHFFFAOYSA-N 1 0 370.501 2.416 50 0 FEAARO CCc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)[nH]n1 ZINC000091690558 542820738 /nfs/dbraw/zinc/82/07/38/542820738.db2.gz AHVHHYWDMZCCJD-UHFFFAOYSA-N 1 0 370.501 2.341 50 0 FEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)COc1cccc(Cl)c1)CC2 ZINC000091708218 542821190 /nfs/dbraw/zinc/82/11/90/542821190.db2.gz LVDOXIAKKMPHPV-UHFFFAOYSA-N 1 0 374.872 2.448 50 0 FEAARO CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)cn1 ZINC000091656113 542818104 /nfs/dbraw/zinc/81/81/04/542818104.db2.gz SRHUSVQPBMNAJI-DLBZAZTESA-N 1 0 357.458 2.131 50 0 FEAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccc(CC[NH3+])c2)C[C@H]1C(=O)[O-] ZINC000091818195 542826938 /nfs/dbraw/zinc/82/69/38/542826938.db2.gz DDPKYFYAIQIDCO-RBUKOAKNSA-N 1 0 354.450 2.497 50 0 FEAARO Cc1nn(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cc1Cl ZINC000092097639 542844680 /nfs/dbraw/zinc/84/46/80/542844680.db2.gz VLSQHBWJKAXXLY-DLBZAZTESA-N 1 0 373.888 2.363 50 0 FEAARO Cn1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018063 542903242 /nfs/dbraw/zinc/90/32/42/542903242.db2.gz UESMOOOMVFUQAZ-KRWDZBQOSA-N 1 0 355.486 2.026 50 0 FEAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000043831439 136121445 /nfs/dbraw/zinc/12/14/45/136121445.db2.gz MWZZLWXBCMIGII-UHFFFAOYSA-N 1 0 374.466 2.148 50 0 FEAARO Cc1ccc(C)c(CC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000067774770 136137628 /nfs/dbraw/zinc/13/76/28/136137628.db2.gz MDMHYDJGANYPOG-UHFFFAOYSA-N 1 0 352.482 2.309 50 0 FEAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071614115 136139449 /nfs/dbraw/zinc/13/94/49/136139449.db2.gz XDYXYEYFPLTQSK-MRXNPFEDSA-N 1 0 357.502 2.053 50 0 FEAARO Cc1cnc(C)c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071747099 136139981 /nfs/dbraw/zinc/13/99/81/136139981.db2.gz JMUTWGBEUBVXJG-MRXNPFEDSA-N 1 0 357.502 2.053 50 0 FEAARO CNc1cc(C)nc(N2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)n1 ZINC000072422098 136146127 /nfs/dbraw/zinc/14/61/27/136146127.db2.gz UQYFEKZKBCKQFA-SFHVURJKSA-N 1 0 355.486 2.208 50 0 FEAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000094541405 542955192 /nfs/dbraw/zinc/95/51/92/542955192.db2.gz NPAXEXWTHYWKJI-SECBINFHSA-N 1 0 353.307 2.049 50 0 FEAARO C[NH+](C)Cc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000102802862 543080718 /nfs/dbraw/zinc/08/07/18/543080718.db2.gz NLRVXJZZJFAIDL-IYBDPMFKSA-N 1 0 357.454 2.252 50 0 FEAARO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H](O)c2ccc(O)cc2)c1 ZINC000110542534 543360657 /nfs/dbraw/zinc/36/06/57/543360657.db2.gz LHMBBLYSXFOQBR-YHBQJITHSA-N 1 0 359.422 2.046 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3OCCc4ccccc43)cn2)CC1 ZINC000115325405 543560112 /nfs/dbraw/zinc/56/01/12/543560112.db2.gz LGSQUVJUDVHJPO-IBGZPJMESA-N 1 0 366.465 2.476 50 0 FEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000124614293 543832426 /nfs/dbraw/zinc/83/24/26/543832426.db2.gz RVMNVWCPMHVCMV-LLVKDONJSA-N 1 0 355.360 2.266 50 0 FEAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127748529 544011240 /nfs/dbraw/zinc/01/12/40/544011240.db2.gz DJMVATGNNSLTJY-OALUTQOASA-N 1 0 353.470 2.181 50 0 FEAARO C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C[C@H](C)[NH2+]1 ZINC000153816631 544828873 /nfs/dbraw/zinc/82/88/73/544828873.db2.gz IYKNQWUSMHCPNO-GASCZTMLSA-N 1 0 367.449 2.187 50 0 FEAARO Cc1ncc2c(c1-c1noc(Cn3c4ccccc4oc3=O)n1)CC[NH2+]C2 ZINC000020166490 263379218 /nfs/dbraw/zinc/37/92/18/263379218.db2.gz HNNDMWNUEWWNKT-UHFFFAOYSA-N 1 0 363.377 2.042 50 0 FEAARO CCCc1nc(C)c(CNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)s1 ZINC000426667397 263654237 /nfs/dbraw/zinc/65/42/37/263654237.db2.gz GUFAXJJZZSSYTC-CQSZACIVSA-N 1 0 361.515 2.384 50 0 FEAARO CCCCc1nnc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000078461606 325047093 /nfs/dbraw/zinc/04/70/93/325047093.db2.gz ZXPQLBYPCRHMBU-ZDUSSCGKSA-N 1 0 353.492 2.067 50 0 FEAARO CNc1cc(N2CCC[C@@H]2CNC(=O)N2Cc3ccccc3C2)ncn1 ZINC000173429577 327256366 /nfs/dbraw/zinc/25/63/66/327256366.db2.gz IGQVZRRSAUGMRW-MRXNPFEDSA-N 1 0 352.442 2.213 50 0 FEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)Cc3ccc(F)cc3F)cc2C1 ZINC000082108535 519731927 /nfs/dbraw/zinc/73/19/27/519731927.db2.gz WTDJIEGZTFJIEA-UHFFFAOYSA-N 1 0 362.424 2.492 50 0 FEAARO CCNc1nc(NCCNS(=O)(=O)c2cc(F)ccc2C)cc(C)[nH+]1 ZINC000082230646 520356982 /nfs/dbraw/zinc/35/69/82/520356982.db2.gz YFAHIKUOVKRKHL-UHFFFAOYSA-N 1 0 367.450 2.055 50 0 FEAARO CC[N@@H+]1CC[C@@]2(CCN(Cc3nc(-c4ccc(C(=O)OC)cc4)no3)C2)C1 ZINC000020455447 521716504 /nfs/dbraw/zinc/71/65/04/521716504.db2.gz ARMFWBLYOIEKOI-HXUWFJFHSA-N 1 0 370.453 2.441 50 0 FEAARO CNC(=O)[C@H]1CC[C@H](CNC(=O)CCC[NH+]2Cc3ccccc3C2)CC1 ZINC000252515329 521760114 /nfs/dbraw/zinc/76/01/14/521760114.db2.gz IUOPEFGNERKFPL-QAQDUYKDSA-N 1 0 357.498 2.451 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000178989231 522053268 /nfs/dbraw/zinc/05/32/68/522053268.db2.gz WFXITDRJXVCAQS-QWRGUYRKSA-N 1 0 359.239 2.423 50 0 FEAARO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c(OC)c1 ZINC000247998255 522146502 /nfs/dbraw/zinc/14/65/02/522146502.db2.gz RDTJWSYPNJHDND-FVQBIDKESA-N 1 0 351.443 2.390 50 0 FEAARO COCCCNC(=O)NCc1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020927387 523337751 /nfs/dbraw/zinc/33/77/51/523337751.db2.gz OHQSKIZMXVUUQZ-UHFFFAOYSA-N 1 0 362.499 2.362 50 0 FEAARO CCc1c(C(=O)N2CCC[C@H]([NH3+])C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000158598836 523687190 /nfs/dbraw/zinc/68/71/90/523687190.db2.gz BJNYKLDWLCIQHI-AWEZNQCLSA-N 1 0 357.458 2.180 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(-c3cc[nH]n3)s1)C2 ZINC000091548524 523807840 /nfs/dbraw/zinc/80/78/40/523807840.db2.gz YEOQYPRJIIPNLX-UONOGXRCSA-N 1 0 360.483 2.207 50 0 FEAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000078638773 523887172 /nfs/dbraw/zinc/88/71/72/523887172.db2.gz RYITZSNIDPOIBD-MGPQQGTHSA-N 1 0 356.297 2.459 50 0 FEAARO C[NH+](C)CC1CCC(NC(=O)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000089314198 524047880 /nfs/dbraw/zinc/04/78/80/524047880.db2.gz VNGKCDNLPWMWIV-UHFFFAOYSA-N 1 0 373.497 2.429 50 0 FEAARO Cc1cc(C)c(OCCOCCN2CC[NH2+]CC2)c(Br)c1 ZINC000020293447 524311330 /nfs/dbraw/zinc/31/13/30/524311330.db2.gz FNCHHNOZLWVQGK-UHFFFAOYSA-N 1 0 357.292 2.367 50 0 FEAARO Cc1ccccc1-n1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000091462409 525030877 /nfs/dbraw/zinc/03/08/77/525030877.db2.gz FBFNAESZRNAUSC-WOJBJXKFSA-N 1 0 354.498 2.317 50 0 FEAARO Cc1cc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)cc(C)[nH+]1 ZINC000091644141 525074673 /nfs/dbraw/zinc/07/46/73/525074673.db2.gz SKGVISMZKTYQCN-KRWDZBQOSA-N 1 0 370.497 2.138 50 0 FEAARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000156174136 525578114 /nfs/dbraw/zinc/57/81/14/525578114.db2.gz DHGORXILKHWLJL-UONOGXRCSA-N 1 0 373.316 2.429 50 0 FEAARO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000179075230 525925712 /nfs/dbraw/zinc/92/57/12/525925712.db2.gz OCRUSGJVVHXJHB-CYBMUJFWSA-N 1 0 363.259 2.377 50 0 FEAARO O=C(c1cc(C2CC2)n[nH]1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091690204 526603779 /nfs/dbraw/zinc/60/37/79/526603779.db2.gz DNIGKKBRXSORPW-DOTOQJQBSA-N 1 0 351.454 2.419 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000158262824 527347250 /nfs/dbraw/zinc/34/72/50/527347250.db2.gz WRJAHXAZDZVVHE-QGZVFWFLSA-N 1 0 358.463 2.224 50 0 FEAARO Cc1ncsc1CCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091664209 527485181 /nfs/dbraw/zinc/48/51/81/527485181.db2.gz FDRVSTFKEVUIJK-IAGOWNOFSA-N 1 0 365.543 2.327 50 0 FEAARO CC(C)([NH3+])C(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072158037 535194885 /nfs/dbraw/zinc/19/48/85/535194885.db2.gz IFLSSGMSUIWKOR-KRWDZBQOSA-N 1 0 364.921 2.190 50 0 FEAARO Cn1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cn1 ZINC000170614594 546165350 /nfs/dbraw/zinc/16/53/50/546165350.db2.gz PHWFWRUORUFADR-CVEARBPZSA-N 1 0 366.387 2.347 50 0 FEAARO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000171088866 546189370 /nfs/dbraw/zinc/18/93/70/546189370.db2.gz XWTOBTPUWPUMBW-IBGZPJMESA-N 1 0 367.497 2.177 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC000180316969 547083647 /nfs/dbraw/zinc/08/36/47/547083647.db2.gz WMQGNYVGQXZULS-QGZVFWFLSA-N 1 0 357.502 2.355 50 0 FEAARO CC(=O)OC(C)(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000187291301 548254779 /nfs/dbraw/zinc/25/47/79/548254779.db2.gz GGQAFXMFGWUZBC-HUUCEWRRSA-N 1 0 362.470 2.254 50 0 FEAARO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)n(-c2ccccn2)n1 ZINC000194904881 548548181 /nfs/dbraw/zinc/54/81/81/548548181.db2.gz ILWYRONISRRFQN-MRXNPFEDSA-N 1 0 372.473 2.150 50 0 FEAARO C[C@H]1CCC[N@H+](CCOc2ccccc2CN2CCS(=O)(=O)CC2)C1 ZINC000215642073 548673511 /nfs/dbraw/zinc/67/35/11/548673511.db2.gz JJVBRLMUSAPQIO-KRWDZBQOSA-N 1 0 366.527 2.028 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)c3cccn(C)c3=O)O2)CC1 ZINC000216088190 548675781 /nfs/dbraw/zinc/67/57/81/548675781.db2.gz PBOQRNLNULWRFZ-QGZVFWFLSA-N 1 0 373.497 2.095 50 0 FEAARO CCOc1cc(CN(C)c2cc(C3CC(O)C3)[nH+]c(N)n2)ccc1OC ZINC000220496799 548701134 /nfs/dbraw/zinc/70/11/34/548701134.db2.gz SSVGJLXDRADKSB-UHFFFAOYSA-N 1 0 358.442 2.341 50 0 FEAARO OC[C@H](O)c1cc2n(n1)CCCN(Cc1cnc(C3CCCCC3)nc1)C2 ZINC000221308401 548704239 /nfs/dbraw/zinc/70/42/39/548704239.db2.gz NZXMYDFJKKNKQZ-IBGZPJMESA-N 1 0 371.485 2.152 50 0 FEAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@H](C[NH+](C)C)C1 ZINC000222551685 548709195 /nfs/dbraw/zinc/70/91/95/548709195.db2.gz STIYDVVJTVZDFB-GOSISDBHSA-N 1 0 370.497 2.068 50 0 FEAARO CCn1c(CNC2(c3ccccc3)CCOCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222591333 548710808 /nfs/dbraw/zinc/71/08/08/548710808.db2.gz HXMCCQDVPZAQBE-WOVMCDHWSA-N 1 0 355.486 2.298 50 0 FEAARO O=C(CC[NH+]1CCCCC1)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 ZINC000223582025 548722452 /nfs/dbraw/zinc/72/24/52/548722452.db2.gz KLZSLAGBIFNXKA-MSOLQXFVSA-N 1 0 350.434 2.354 50 0 FEAARO Cn1c(CC[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)nc2ccccc21 ZINC000225388416 548732531 /nfs/dbraw/zinc/73/25/31/548732531.db2.gz UQUQCWDMVRGQDN-UHFFFAOYSA-N 1 0 363.465 2.359 50 0 FEAARO CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]([NH3+])C3)cc2c1C ZINC000225424716 548733484 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CCNC(=O)N1CCC(Nc2cc([C@H]3C[C@@H]([NH3+])C3)nc(C3CC3)n2)CC1 ZINC000244787674 548894600 /nfs/dbraw/zinc/89/46/00/548894600.db2.gz QBJZXWOLXOQGBW-OKILXGFUSA-N 1 0 358.490 2.165 50 0 FEAARO CCOC(C(=O)NC[C@]1(O)CCC[NH2+]C1)(c1ccccc1)c1ccccc1 ZINC000244852681 548897364 /nfs/dbraw/zinc/89/73/64/548897364.db2.gz UWRVUARSIIFNBU-NRFANRHFSA-N 1 0 368.477 2.197 50 0 FEAARO O=C(N[C@H]1CCCNC1=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000252483275 549667655 /nfs/dbraw/zinc/66/76/55/549667655.db2.gz DYHUMZCKQUCNDU-FQEVSTJZSA-N 1 0 363.461 2.253 50 0 FEAARO CN(C)S(=O)(=O)CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000252507835 549671200 /nfs/dbraw/zinc/67/12/00/549671200.db2.gz WUOGBKLCNHRGMB-UHFFFAOYSA-N 1 0 368.499 2.441 50 0 FEAARO O=C(N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)C1=Cc2ccccc2OC=C1 ZINC000252550820 549674226 /nfs/dbraw/zinc/67/42/26/549674226.db2.gz SYHGEWRINLBWBH-QWFCFKBJSA-N 1 0 354.450 2.231 50 0 FEAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c(=O)[nH]1 ZINC000253536620 549691430 /nfs/dbraw/zinc/69/14/30/549691430.db2.gz IUWWKHJJTPXPGR-HNNXBMFYSA-N 1 0 367.453 2.088 50 0 FEAARO COc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000281948796 551161079 /nfs/dbraw/zinc/16/10/79/551161079.db2.gz LXCXAAIXBGAXHW-AEFFLSMTSA-N 1 0 373.478 2.395 50 0 FEAARO Cc1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc(C)c1OC(F)F ZINC000289301399 552297902 /nfs/dbraw/zinc/29/79/02/552297902.db2.gz SFKVQLQDEWRFFS-OAHLLOKOSA-N 1 0 353.413 2.025 50 0 FEAARO CCOc1ccccc1CN1CCN(C(=O)c2cc3n(n2)CCO3)[C@H](C)C1 ZINC000291619927 552644020 /nfs/dbraw/zinc/64/40/20/552644020.db2.gz ROSLYDJTGKRORB-OAHLLOKOSA-N 1 0 370.453 2.021 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000299754438 553610351 /nfs/dbraw/zinc/61/03/51/553610351.db2.gz ORJWKYZXZHZGBX-BTRQGYIVSA-N 1 0 374.533 2.202 50 0 FEAARO Cc1ccnc(SCC(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000299758022 553611239 /nfs/dbraw/zinc/61/12/39/553611239.db2.gz KCGWUXYTAHLKII-HNNXBMFYSA-N 1 0 356.495 2.440 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000299760407 553611792 /nfs/dbraw/zinc/61/17/92/553611792.db2.gz JTXJJQWPCFGLMN-OAHLLOKOSA-N 1 0 355.438 2.104 50 0 FEAARO COc1cc(OC)c(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1Cl ZINC000299778130 553613993 /nfs/dbraw/zinc/61/39/93/553613993.db2.gz FRMJQGPDGYEJDH-LSDHHAIUSA-N 1 0 364.833 2.295 50 0 FEAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)c1cccc(-c2cncnc2)c1 ZINC000299794328 553615921 /nfs/dbraw/zinc/61/59/21/553615921.db2.gz JTZRBNQZBPSATA-IBGZPJMESA-N 1 0 354.454 2.110 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3c[nH]c(=O)c(Cl)c3)cc2C1 ZINC000299800901 553616445 /nfs/dbraw/zinc/61/64/45/553616445.db2.gz WZCGYSCUTQUPGB-UHFFFAOYSA-N 1 0 363.849 2.183 50 0 FEAARO Cc1nc2ccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2n1C ZINC000370124998 556787177 /nfs/dbraw/zinc/78/71/77/556787177.db2.gz YFNIBYDGXOCPBR-MRXNPFEDSA-N 1 0 356.470 2.066 50 0 FEAARO O=C(NCc1cn(-c2ccncc2)nn1)Nc1nc2c(s1)CCCC2 ZINC000390832396 558612670 /nfs/dbraw/zinc/61/26/70/558612670.db2.gz ZFXHRANGMGCKOY-UHFFFAOYSA-N 1 0 355.427 2.319 50 0 FEAARO Nc1cccnc1-c1cccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000426506899 559736260 /nfs/dbraw/zinc/73/62/60/559736260.db2.gz YDZUUHDAWBPJRQ-OALUTQOASA-N 1 0 366.465 2.314 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000426535174 559737128 /nfs/dbraw/zinc/73/71/28/559737128.db2.gz NUSXTEQADWLXGH-MRXNPFEDSA-N 1 0 371.407 2.131 50 0 FEAARO COc1ccc2[nH]c(CCNC(=O)N3CCC([NH+]4CCCC4)CC3)nc2c1 ZINC000426658453 559739777 /nfs/dbraw/zinc/73/97/77/559739777.db2.gz PTLBSNREFBEOEE-UHFFFAOYSA-N 1 0 371.485 2.384 50 0 FEAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cccc(F)c3F)C2)CC1 ZINC000426667589 559739869 /nfs/dbraw/zinc/73/98/69/559739869.db2.gz NYBOLCUBCGOAMH-HNNXBMFYSA-N 1 0 366.456 2.134 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccnc(N)n3)cc2)C1 ZINC000426677887 559740099 /nfs/dbraw/zinc/74/00/99/559740099.db2.gz WYOJHACROCCLNJ-CQSZACIVSA-N 1 0 351.454 2.425 50 0 FEAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)c1 ZINC000426737313 559741161 /nfs/dbraw/zinc/74/11/61/559741161.db2.gz AVYPOJKAIUUPHE-NRFANRHFSA-N 1 0 365.481 2.376 50 0 FEAARO Cn1cc(CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000426746051 559741370 /nfs/dbraw/zinc/74/13/70/559741370.db2.gz DOXRIRBWKVZLMF-UHFFFAOYSA-N 1 0 355.486 2.269 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N(C)Cc3c(C)noc3C)cc2C1 ZINC000534581053 562537279 /nfs/dbraw/zinc/53/72/79/562537279.db2.gz LNOBKPPNTALIKH-UHFFFAOYSA-N 1 0 374.489 2.445 50 0 FEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)N(C)Cc2nc3cc(C)ccc3[nH]2)C1 ZINC000534588304 562537477 /nfs/dbraw/zinc/53/74/77/562537477.db2.gz RKQFGGZQOGIFRW-MRXNPFEDSA-N 1 0 373.501 2.371 50 0 FEAARO O=C([C@@H]1CCCO1)N1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000584901638 570510701 /nfs/dbraw/zinc/51/07/01/570510701.db2.gz TZFBRYZIFSXUQT-SFHVURJKSA-N 1 0 360.454 2.108 50 0 FEAARO CCN(Cc1cnn(CC)c1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000584903422 570511872 /nfs/dbraw/zinc/51/18/72/570511872.db2.gz CSKABVIARNJAGM-SFHVURJKSA-N 1 0 363.506 2.078 50 0 FEAARO CCc1nccn1[C@@H]1CCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000685942549 571102617 /nfs/dbraw/zinc/10/26/17/571102617.db2.gz ORYOCHRRRCDWTO-OAHLLOKOSA-N 1 0 356.474 2.113 50 0 FEAARO c1nc(NCC2([NH+]3CCOCC3)CCCCCC2)cc([C@H]2CCOC2)n1 ZINC000426477713 571133056 /nfs/dbraw/zinc/13/30/56/571133056.db2.gz KDDOSSJHYJSCAN-KRWDZBQOSA-N 1 0 360.502 2.818 50 0 FEAARO CNC(=O)[C@H]1CCCN1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000426401665 571220339 /nfs/dbraw/zinc/22/03/39/571220339.db2.gz FOFSVGXMHDUGRQ-LJQANCHMSA-N 1 0 372.513 2.209 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CNC(=O)Cc2ccc(OCC[NH3+])cc2)n1 ZINC000426412362 571221892 /nfs/dbraw/zinc/22/18/92/571221892.db2.gz JAIVMDLPIMAXRI-UHFFFAOYSA-N 1 0 368.359 2.000 50 0 FEAARO COCCN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)CC1 ZINC000426420413 571222903 /nfs/dbraw/zinc/22/29/03/571222903.db2.gz BYBBYYBYTVFUAG-FQEVSTJZSA-N 1 0 374.529 2.187 50 0 FEAARO Cn1c(SCCC(=O)NCc2cccs2)nnc1C1CC[NH2+]CC1 ZINC000426425096 571223880 /nfs/dbraw/zinc/22/38/80/571223880.db2.gz AVJJEXZCTQORMW-UHFFFAOYSA-N 1 0 365.528 2.142 50 0 FEAARO CC[N@@H+]1CCC[C@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000426438523 571225057 /nfs/dbraw/zinc/22/50/57/571225057.db2.gz CTHAZJADPZMOCO-GOSISDBHSA-N 1 0 374.529 2.254 50 0 FEAARO COc1n[nH]c(-c2ccc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)cc2)n1 ZINC000584889346 571314380 /nfs/dbraw/zinc/31/43/80/571314380.db2.gz UOSCEASARZQORI-CYBMUJFWSA-N 1 0 355.442 2.179 50 0 FEAARO CC[C@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)c1nc(C)no1 ZINC000584894874 571315263 /nfs/dbraw/zinc/31/52/63/571315263.db2.gz KQWCKYFCVRRHCR-AWEZNQCLSA-N 1 0 353.492 2.052 50 0 FEAARO O=C(NC1(C[NH+]2CCCCC2)CC1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000584897452 571315610 /nfs/dbraw/zinc/31/56/10/571315610.db2.gz RJDGOXINRDIRPW-UHFFFAOYSA-N 1 0 372.513 2.238 50 0 FEAARO O=c1c2sc(-c3ccc(F)cc3)cc2ncn1C[C@@]1(O)CCC[NH2+]C1 ZINC000670434384 571346347 /nfs/dbraw/zinc/34/63/47/571346347.db2.gz WMIRNDGSPKCWCL-GOSISDBHSA-N 1 0 359.426 2.379 50 0 FEAARO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc3ccccc3s2)C1 ZINC000670460460 571356595 /nfs/dbraw/zinc/35/65/95/571356595.db2.gz HSEMHBIQQNONLI-CYBMUJFWSA-N 1 0 354.497 2.148 50 0 FEAARO CN(CCC(=O)NCc1ccc2sccc2c1)[C@@H]1CCS(=O)(=O)C1 ZINC000670461282 571356782 /nfs/dbraw/zinc/35/67/82/571356782.db2.gz VAANKCNDFFWRBJ-OAHLLOKOSA-N 1 0 366.508 2.027 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(F)c(OC)c3)C2)C1=O ZINC000012465446 670002372 /nfs/dbraw/zinc/00/23/72/670002372.db2.gz LQEPKTIEVGPGJK-LJQANCHMSA-N 1 0 350.434 2.295 50 0 FEAARO O=C1N[C@@H](CC2CCCCC2)C(=O)N2C[C@@H]([NH2+]Cc3cccs3)C[C@@H]12 ZINC000014745408 670009366 /nfs/dbraw/zinc/00/93/66/670009366.db2.gz UDEHMTBPRUNEGQ-XIRDDKMYSA-N 1 0 361.511 2.276 50 0 FEAARO C[NH+]1CCN(CC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)CC1 ZINC000022454550 670040887 /nfs/dbraw/zinc/04/08/87/670040887.db2.gz NGTDPSVBCFUGES-UHFFFAOYSA-N 1 0 357.405 2.322 50 0 FEAARO CS(=O)(=O)N1CCC(OC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000169760782 672321549 /nfs/dbraw/zinc/32/15/49/672321549.db2.gz JNOFRVPDQHBUGN-UHFFFAOYSA-N 1 0 358.548 2.472 50 0 FEAARO COCC[N@@H+]1C[C@H](CO)C2(C1)CCN(C(=O)CC1=CCCCC1)CC2 ZINC000169792952 672322674 /nfs/dbraw/zinc/32/26/74/672322674.db2.gz MEAVBYKADICKOC-GOSISDBHSA-N 1 0 350.503 2.056 50 0 FEAARO C[NH+]1CCC(OC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000169792130 672322684 /nfs/dbraw/zinc/32/26/84/672322684.db2.gz DCYCYUDSMRBJOW-UHFFFAOYSA-N 1 0 356.463 2.090 50 0 FEAARO OC[C@H]1CCC[N@H+](CCNc2nc3c(c(C(F)(F)F)n2)CCCC3)C1 ZINC000952970592 681793168 /nfs/dbraw/zinc/79/31/68/681793168.db2.gz MOOPXCXRRQTMFA-LBPRGKRZSA-N 1 0 358.408 2.490 50 0 FEAARO COC(=O)c1cccc(OC[C@H](O)C[n+]2c(C)n(C)c3ccccc32)c1 ZINC000001215687 539339998 /nfs/dbraw/zinc/33/99/98/539339998.db2.gz PLCFULCUUCUDKR-MRXNPFEDSA-N 1 0 355.414 2.001 50 0 FEAARO Cc1nc2sc3c(c2c2nc(C(=O)NCC[NH+](C)C)nn21)C[C@@H](C)CC3 ZINC000002206027 539345854 /nfs/dbraw/zinc/34/58/54/539345854.db2.gz SLLYULZDFWRAOQ-JTQLQIEISA-N 1 0 372.498 2.064 50 0 FEAARO O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C1CC[NH2+]CC1 ZINC000002345372 539346448 /nfs/dbraw/zinc/34/64/48/539346448.db2.gz HKLVWPJVTVRKAB-IBGZPJMESA-N 1 0 369.440 2.491 50 0 FEAARO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000002678692 539350756 /nfs/dbraw/zinc/35/07/56/539350756.db2.gz PJNSPPYTWYDWLK-CYVLTUHYSA-N 1 0 367.449 2.144 50 0 FEAARO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002776660 539352717 /nfs/dbraw/zinc/35/27/17/539352717.db2.gz KFEAUQATQOQTCR-SNVBAGLBSA-N 1 0 350.772 2.170 50 0 FEAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCC(=O)NC(C)(C)C ZINC000008326354 539484361 /nfs/dbraw/zinc/48/43/61/539484361.db2.gz KPVNGZLDUUQFQC-HNNXBMFYSA-N 1 0 352.475 2.239 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N(C)[C@H]3CC[N@H+](C)C3)nc2)on1 ZINC000012707079 539571234 /nfs/dbraw/zinc/57/12/34/539571234.db2.gz ZWEHHNVDKLJAOT-INIZCTEOSA-N 1 0 357.458 2.092 50 0 FEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000013612999 539588574 /nfs/dbraw/zinc/58/85/74/539588574.db2.gz FWHCDOFXYSXJHL-GJZGRUSLSA-N 1 0 370.515 2.350 50 0 FEAARO Cc1cc(C)c2oc(C(=O)N3CCOC34CC[NH+](C)CC4)cc(=O)c2c1 ZINC000013691122 539590223 /nfs/dbraw/zinc/59/02/23/539590223.db2.gz FHPGPQDYIFWUGE-UHFFFAOYSA-N 1 0 356.422 2.304 50 0 FEAARO CCC[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cccnc3)n2CC1 ZINC000014961243 539607595 /nfs/dbraw/zinc/60/75/95/539607595.db2.gz FHILIDBLHXGPOC-KRWDZBQOSA-N 1 0 370.501 2.458 50 0 FEAARO C[N@H+](CCCc1ccccc1)CCn1cc(C(=O)N2CCSCC2)nn1 ZINC000014999326 539609081 /nfs/dbraw/zinc/60/90/81/539609081.db2.gz YBLWNIISNDNMST-UHFFFAOYSA-N 1 0 373.526 2.032 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O ZINC000015962665 539625672 /nfs/dbraw/zinc/62/56/72/539625672.db2.gz YYXCXSSGNJZPJH-OAHLLOKOSA-N 1 0 372.469 2.093 50 0 FEAARO O=C(NCC[NH+]1CCCC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773966 539623417 /nfs/dbraw/zinc/62/34/17/539623417.db2.gz NGPFHNSHLLGEEP-FQEVSTJZSA-N 1 0 363.461 2.470 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccc2OC)C3)CC1 ZINC000015779425 539623489 /nfs/dbraw/zinc/62/34/89/539623489.db2.gz ONOGBTKVUUVBDW-UHFFFAOYSA-N 1 0 367.497 2.185 50 0 FEAARO CC1CC[NH+](CCCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000017813002 539644020 /nfs/dbraw/zinc/64/40/20/539644020.db2.gz FJVUSXDUAGIEIZ-UHFFFAOYSA-N 1 0 356.470 2.094 50 0 FEAARO CSc1nc(C(=O)N2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)cs1 ZINC000019145067 539652829 /nfs/dbraw/zinc/65/28/29/539652829.db2.gz HUKKISDLSHZEEG-UHFFFAOYSA-N 1 0 366.516 2.128 50 0 FEAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](CC(C)C)[C@@H](CCO)C1)CO2 ZINC000019794467 539669805 /nfs/dbraw/zinc/66/98/05/539669805.db2.gz VLWVQOPLJCMJGZ-IBGZPJMESA-N 1 0 360.498 2.496 50 0 FEAARO O=C(/C=C/c1ccc2c(c1)OCO2)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000252533175 209937475 /nfs/dbraw/zinc/93/74/75/209937475.db2.gz GDQSTHZIIVPPGP-DUXPYHPUSA-N 1 0 372.465 2.436 50 0 FEAARO COc1cccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c1 ZINC000021794975 539687102 /nfs/dbraw/zinc/68/71/02/539687102.db2.gz JJKORIXISGJVDQ-UHFFFAOYSA-N 1 0 370.457 2.214 50 0 FEAARO O=C(C[NH2+]CCN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022037922 539691095 /nfs/dbraw/zinc/69/10/95/539691095.db2.gz RBWTYMAOBITSCC-UHFFFAOYSA-N 1 0 365.783 2.219 50 0 FEAARO Cc1ccccc1C[NH+]1CCN(Cn2nnc(-c3cccs3)n2)CC1 ZINC000022789419 539699551 /nfs/dbraw/zinc/69/95/51/539699551.db2.gz YIZHZWCAMCWRMA-UHFFFAOYSA-N 1 0 354.483 2.485 50 0 FEAARO NC(=O)NCc1cn(C2CC[NH+](Cc3cc4ccccc4s3)CC2)nn1 ZINC000023399587 539714473 /nfs/dbraw/zinc/71/44/73/539714473.db2.gz PFVNXMLEBZZWDG-UHFFFAOYSA-N 1 0 370.482 2.498 50 0 FEAARO CCCn1c2ccccc2n(CC(=O)N[C@H](C)C[NH+]2CCCCC2)c1=O ZINC000024803140 539741030 /nfs/dbraw/zinc/74/10/30/539741030.db2.gz LQHHCSNBFDNPAL-MRXNPFEDSA-N 1 0 358.486 2.204 50 0 FEAARO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000024978966 539745415 /nfs/dbraw/zinc/74/54/15/539745415.db2.gz DSIWEOXRBXPHSW-CHWSQXEVSA-N 1 0 369.421 2.235 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1cccnc1N1CCOCC1)c1ccsc1 ZINC000025814428 539769881 /nfs/dbraw/zinc/76/98/81/539769881.db2.gz ORFJTBWXESYCOH-MRXNPFEDSA-N 1 0 360.483 2.012 50 0 FEAARO COc1ccc([C@@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)c(OC)c1 ZINC000026908169 539796492 /nfs/dbraw/zinc/79/64/92/539796492.db2.gz YWIVKMNNTUMTSJ-HNNXBMFYSA-N 1 0 361.442 2.171 50 0 FEAARO CC(C)CN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000029753129 539863555 /nfs/dbraw/zinc/86/35/55/539863555.db2.gz VXLCFFVQKSDGDN-SFHVURJKSA-N 1 0 357.498 2.272 50 0 FEAARO C[NH+]1CCN(Cc2ccc(NC(=O)CCNC(=O)C3CCCC3)cc2)CC1 ZINC000040121250 540007090 /nfs/dbraw/zinc/00/70/90/540007090.db2.gz YNLUMZWRQVDSHM-UHFFFAOYSA-N 1 0 372.513 2.069 50 0 FEAARO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000219935169 209698108 /nfs/dbraw/zinc/69/81/08/209698108.db2.gz FPYRNZAWTPMBLU-CQSZACIVSA-N 1 0 355.486 2.265 50 0 FEAARO CCOC(=O)CN(C)c1ncc(C[NH2+][C@@H](C)c2c(C)nn(CC)c2C)cn1 ZINC000055211838 540636289 /nfs/dbraw/zinc/63/62/89/540636289.db2.gz WXMNVXVQDGHJDR-ZDUSSCGKSA-N 1 0 374.489 2.160 50 0 FEAARO COc1ccc(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000058167832 540830784 /nfs/dbraw/zinc/83/07/84/540830784.db2.gz HEIBFLSRIYLURG-INIZCTEOSA-N 1 0 367.449 2.440 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000058179161 540831062 /nfs/dbraw/zinc/83/10/62/540831062.db2.gz JSAAFDVBRUPNGY-CYBMUJFWSA-N 1 0 359.392 2.104 50 0 FEAARO Cc1cccc2c1ncn(CCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c2=O ZINC000058175576 540831144 /nfs/dbraw/zinc/83/11/44/540831144.db2.gz RNLPFOQLBJHDDD-QGZVFWFLSA-N 1 0 370.497 2.332 50 0 FEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000237969982 209356806 /nfs/dbraw/zinc/35/68/06/209356806.db2.gz YLLLJDGHRSAMHB-KRWDZBQOSA-N 1 0 358.463 2.224 50 0 FEAARO C[C@@H](CNC(=O)CCc1nc(-c2cccnc2)no1)[NH+]1CCC(C)CC1 ZINC000058183578 540832053 /nfs/dbraw/zinc/83/20/53/540832053.db2.gz AWCQGHRGYPVJND-HNNXBMFYSA-N 1 0 357.458 2.301 50 0 FEAARO Cn1cc(-c2nc(C(=O)N[C@@H](Cc3ccccc3)C[NH+](C)C)cs2)cn1 ZINC000058232061 540835152 /nfs/dbraw/zinc/83/51/52/540835152.db2.gz ZBQAOGVAWLOUAA-INIZCTEOSA-N 1 0 369.494 2.446 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1 ZINC000058246570 540836014 /nfs/dbraw/zinc/83/60/14/540836014.db2.gz MQCDVUXIBVYCOK-INIZCTEOSA-N 1 0 354.414 2.068 50 0 FEAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058268427 540837095 /nfs/dbraw/zinc/83/70/95/540837095.db2.gz CUTWWOHBBSLTAM-CQSZACIVSA-N 1 0 353.488 2.045 50 0 FEAARO COc1cc([C@@H]2[NH2+]CC[C@@]23C(=O)Nc2ccccc23)cc2c1OCCO2 ZINC000062001414 541143321 /nfs/dbraw/zinc/14/33/21/541143321.db2.gz HCBHUGFDFNCLMN-ICSRJNTNSA-N 1 0 352.390 2.391 50 0 FEAARO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)sc2nc(C)nc(C)c12 ZINC000062580125 541151665 /nfs/dbraw/zinc/15/16/65/541151665.db2.gz HKSNZDREMIOSBZ-KGLIPLIRSA-N 1 0 360.483 2.210 50 0 FEAARO CC(C)[N@H+]1CCC(=O)N(CC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000064748047 541216036 /nfs/dbraw/zinc/21/60/36/541216036.db2.gz KUSQBIDUHVLJAA-UHFFFAOYSA-N 1 0 371.403 2.264 50 0 FEAARO CCN1CCN(C(=O)c2nn(CC[NH+]3CCCCC3)c3ccccc32)CC1 ZINC000064761050 541216709 /nfs/dbraw/zinc/21/67/09/541216709.db2.gz PSMRMAVHJAAZMK-UHFFFAOYSA-N 1 0 369.513 2.300 50 0 FEAARO O=C(c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1)N1CCSCC1 ZINC000065255792 541230538 /nfs/dbraw/zinc/23/05/38/541230538.db2.gz BGIPLYSRBSPRQC-SFHVURJKSA-N 1 0 368.506 2.422 50 0 FEAARO CC(C)[NH+]1CCC(C(=O)NCc2noc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000065468984 541239900 /nfs/dbraw/zinc/23/99/00/541239900.db2.gz YWNLJHNWCBNBKL-UHFFFAOYSA-N 1 0 372.425 2.202 50 0 FEAARO c1nnc2cc(N3CC[NH+](Cc4csc5c4CCCC5)CC3)cnn12 ZINC000065282497 541233052 /nfs/dbraw/zinc/23/30/52/541233052.db2.gz XGVACQUCMKKFTH-UHFFFAOYSA-N 1 0 354.483 2.387 50 0 FEAARO Cc1[nH+]c(N(C)C)nc(NC[C@H](c2ccccn2)N2CCOCC2)c1C ZINC000065381334 541235085 /nfs/dbraw/zinc/23/50/85/541235085.db2.gz MRWYBVDQNIZGOY-QGZVFWFLSA-N 1 0 356.474 2.040 50 0 FEAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1cc2n(n1)CCN(C)C2 ZINC000065372111 541235127 /nfs/dbraw/zinc/23/51/27/541235127.db2.gz LFJJYZJRGWFUCV-UHFFFAOYSA-N 1 0 367.497 2.197 50 0 FEAARO CCCn1ccnc1CN1CCN(c2nc(N(C)C)[nH+]c(C)c2C)CC1 ZINC000065396201 541235915 /nfs/dbraw/zinc/23/59/15/541235915.db2.gz QFQODDUTMZLZKX-UHFFFAOYSA-N 1 0 357.506 2.088 50 0 FEAARO Cc1cc(C)c([C@@H]2CC(=O)Nc3n[nH]cc32)cc1CN1CC[NH+](C)CC1 ZINC000065506575 541241651 /nfs/dbraw/zinc/24/16/51/541241651.db2.gz QZPVGESJWPCODW-KRWDZBQOSA-N 1 0 353.470 2.248 50 0 FEAARO C[C@@H](NC(=O)c1ccoc1)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000066946111 541398410 /nfs/dbraw/zinc/39/84/10/541398410.db2.gz OENVBIISIGJWAF-QGZVFWFLSA-N 1 0 371.481 2.421 50 0 FEAARO CN(C[C@@H]1CCC[NH2+]C1)c1ccc(C(=O)NCCCc2ccccn2)cn1 ZINC000067654945 541496338 /nfs/dbraw/zinc/49/63/38/541496338.db2.gz GRIZTPOHLYJXHJ-QGZVFWFLSA-N 1 0 367.497 2.275 50 0 FEAARO O=C(NCc1cccnc1-n1ccnc1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067713014 541504221 /nfs/dbraw/zinc/50/42/21/541504221.db2.gz QSPKDDKMGNQDGV-QGZVFWFLSA-N 1 0 365.437 2.389 50 0 FEAARO C[C@@H](NC(=O)C1c2ccccc2-c2ccccc21)c1nnc2n1CC[NH2+]CC2 ZINC000067773038 541511091 /nfs/dbraw/zinc/51/10/91/541511091.db2.gz FPUAAOLMNAORAD-CQSZACIVSA-N 1 0 373.460 2.414 50 0 FEAARO COc1cccc(CN2CCC[C@](O)(C[N@H+](C)CC(C)C)C2=O)c1OC ZINC000067820940 541517490 /nfs/dbraw/zinc/51/74/90/541517490.db2.gz IJCYMUXIBADISQ-FQEVSTJZSA-N 1 0 364.486 2.145 50 0 FEAARO O=c1n(CCn2cccc2)nc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000067856849 541521279 /nfs/dbraw/zinc/52/12/79/541521279.db2.gz OZCGUWUIPLKNKM-UHFFFAOYSA-N 1 0 351.454 2.062 50 0 FEAARO Cc1ccsc1[C@H](CNC(=O)c1cnc2ccccn2c1=O)[NH+](C)C ZINC000067867463 541522583 /nfs/dbraw/zinc/52/25/83/541522583.db2.gz FXRGPZWSVZKMCV-AWEZNQCLSA-N 1 0 356.451 2.097 50 0 FEAARO COc1ccc2ccccc2c1C[N@@H+]1CCCN([C@H]2COC[C@@H]2O)CC1 ZINC000097694653 209192879 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c1nc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH]1 ZINC000072138677 541785986 /nfs/dbraw/zinc/78/59/86/541785986.db2.gz COOCAIVIJSLMOH-NSISKUIASA-N 1 0 352.438 2.201 50 0 FEAARO Cc1nnc(CN2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000072149575 541789036 /nfs/dbraw/zinc/78/90/36/541789036.db2.gz JUWPNQJFBFSFQW-CDHQVMDDSA-N 1 0 368.437 2.169 50 0 FEAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000072149365 541788834 /nfs/dbraw/zinc/78/88/34/541788834.db2.gz HPKBLLIIEVSFNA-IBGZPJMESA-N 1 0 373.541 2.456 50 0 FEAARO CN1c2ccccc2[C@]2(CCC[N@H+](CC(C)(C)N3CCOCC3)C2)C1=O ZINC000072152443 541789719 /nfs/dbraw/zinc/78/97/19/541789719.db2.gz VJJZBJCONNDPTL-OAQYLSRUSA-N 1 0 357.498 2.107 50 0 FEAARO Cn1cc2ncn(CC3CC[NH+](CCc4ccccc4)CC3)c(=O)c2n1 ZINC000072151994 541789935 /nfs/dbraw/zinc/78/99/35/541789935.db2.gz MMTYOSGUTSFRPM-UHFFFAOYSA-N 1 0 351.454 2.085 50 0 FEAARO CCC(C)(C)NC(=O)C[NH+]1CCC2(CC1)c1ccccc1[C@@H](OC)[C@@H]2O ZINC000072154887 541790595 /nfs/dbraw/zinc/79/05/95/541790595.db2.gz HBJIIQDSHGOKEC-MOPGFXCFSA-N 1 0 360.498 2.387 50 0 FEAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(Cc1noc(-c3ccccc3)n1)C2 ZINC000072158770 541791680 /nfs/dbraw/zinc/79/16/80/541791680.db2.gz IHUBDUSUIGXGLY-UZLBHIALSA-N 1 0 370.453 2.244 50 0 FEAARO CN(C(=O)C(=O)NC(C)(C)C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072161078 541792455 /nfs/dbraw/zinc/79/24/55/541792455.db2.gz BFTZDORHQNHAHW-SFHVURJKSA-N 1 0 359.514 2.457 50 0 FEAARO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCCCCc1ccccc1 ZINC000072162843 541792606 /nfs/dbraw/zinc/79/26/06/541792606.db2.gz HWESQEKMORWRMG-IBGZPJMESA-N 1 0 357.498 2.259 50 0 FEAARO CN(C)c1nc(-c2ccncc2)nc2c1CCN(C(=O)CCCCC[NH3+])C2 ZINC000072164637 541793465 /nfs/dbraw/zinc/79/34/65/541793465.db2.gz YRVSCGSXJJFSCP-UHFFFAOYSA-N 1 0 368.485 2.008 50 0 FEAARO O=S(=O)(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1cccnc1 ZINC000072166196 541794345 /nfs/dbraw/zinc/79/43/45/541794345.db2.gz JMCVJJWEKNTRKQ-GOSISDBHSA-N 1 0 359.495 2.457 50 0 FEAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000072420368 541808990 /nfs/dbraw/zinc/80/89/90/541808990.db2.gz IQFMWNYDOIHLBR-IBGZPJMESA-N 1 0 369.513 2.335 50 0 FEAARO Cc1ccc(C)c(OCCN(C)C(=O)CCc2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072420170 541809275 /nfs/dbraw/zinc/80/92/75/541809275.db2.gz BPZNELZOECQPMH-UHFFFAOYSA-N 1 0 370.497 2.463 50 0 FEAARO CC(C)n1cnnc1CN(C)[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1O ZINC000072427225 541810840 /nfs/dbraw/zinc/81/08/40/541810840.db2.gz FHMCFDBUCXRTPF-ROUUACIJSA-N 1 0 369.469 2.282 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072458715 541816734 /nfs/dbraw/zinc/81/67/34/541816734.db2.gz GCXODXWNKCNIMA-SFHVURJKSA-N 1 0 369.513 2.151 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072458714 541817040 /nfs/dbraw/zinc/81/70/40/541817040.db2.gz GCXODXWNKCNIMA-GOSISDBHSA-N 1 0 369.513 2.151 50 0 FEAARO Cc1cc2nc(C)cc(N3CCCN(CCC[NH+]4CCCC4)CC3)n2n1 ZINC000072457035 541816589 /nfs/dbraw/zinc/81/65/89/541816589.db2.gz YFOQBVQHVNGMRL-UHFFFAOYSA-N 1 0 356.518 2.344 50 0 FEAARO Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)cc1O ZINC000072479469 541821129 /nfs/dbraw/zinc/82/11/29/541821129.db2.gz CZMJTOIZKUMNNS-OAQYLSRUSA-N 1 0 373.497 2.107 50 0 FEAARO COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)ccc1F ZINC000072481325 541822170 /nfs/dbraw/zinc/82/21/70/541822170.db2.gz PYQZXYUQZKBOBW-DOTOQJQBSA-N 1 0 350.434 2.030 50 0 FEAARO C[C@@H](C1CCN(C(=O)c2cc(C(F)(F)F)nn2C)CC1)[NH+]1CCOCC1 ZINC000072478992 541820125 /nfs/dbraw/zinc/82/01/25/541820125.db2.gz ZZPNFXGZMWTTOU-LBPRGKRZSA-N 1 0 374.407 2.012 50 0 FEAARO C[C@@H](CCNc1ncnc2c1Cc1ccccc1OC2)[NH+]1CCN(C)CC1 ZINC000096165835 209129992 /nfs/dbraw/zinc/12/99/92/209129992.db2.gz OODHZPQHKBJWRS-INIZCTEOSA-N 1 0 367.497 2.398 50 0 FEAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3ccccn3)CC2)n1C ZINC000096151967 209125086 /nfs/dbraw/zinc/12/50/86/209125086.db2.gz SWMJHZZESSRWDS-UHFFFAOYSA-N 1 0 351.458 2.143 50 0 FEAARO C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000075094409 542151527 /nfs/dbraw/zinc/15/15/27/542151527.db2.gz ABCGSJREGJHEKE-CABCVRRESA-N 1 0 356.532 2.065 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)CC)CC1 ZINC000075530836 542184516 /nfs/dbraw/zinc/18/45/16/542184516.db2.gz GAFVCHJUZJHCJW-FQEVSTJZSA-N 1 0 357.498 2.467 50 0 FEAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)c1cccc(-c2cncnc2)c1 ZINC000299794340 206653582 /nfs/dbraw/zinc/65/35/82/206653582.db2.gz JTZRBNQZBPSATA-LJQANCHMSA-N 1 0 354.454 2.110 50 0 FEAARO COC(=O)c1ccccc1OC[C@@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000004140745 207003187 /nfs/dbraw/zinc/00/31/87/207003187.db2.gz IQHCQTXGXYNJIB-INIZCTEOSA-N 1 0 369.441 2.309 50 0 FEAARO CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH2+]CC2CCCCC2)c1 ZINC000006451691 207141368 /nfs/dbraw/zinc/14/13/68/207141368.db2.gz RYVFSBZRAJZZKB-UHFFFAOYSA-N 1 0 353.488 2.045 50 0 FEAARO CCCC[N@H+](C)CCNC(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O ZINC000006998051 207183248 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Cn1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc(=O)n(C)c1=O ZINC000010610905 207303469 /nfs/dbraw/zinc/30/34/69/207303469.db2.gz KIFVPGUNRAJBKG-UHFFFAOYSA-N 1 0 370.478 2.073 50 0 FEAARO Cc1nonc1CC(=O)N(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011774097 207321619 /nfs/dbraw/zinc/32/16/19/207321619.db2.gz SDHHCQJUAKZDFS-SFHVURJKSA-N 1 0 356.470 2.476 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCn3cnnn3)C2)cc1 ZINC000011878708 207328301 /nfs/dbraw/zinc/32/83/01/207328301.db2.gz SRDNOXDOTPINBG-IBGZPJMESA-N 1 0 370.501 2.043 50 0 FEAARO Cc1nonc1CC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012058699 207336086 /nfs/dbraw/zinc/33/60/86/207336086.db2.gz LZICSXBMPUAJDU-MRXNPFEDSA-N 1 0 374.460 2.473 50 0 FEAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000012417822 207373968 /nfs/dbraw/zinc/37/39/68/207373968.db2.gz FTJJJXLDIWIXET-HLLBOEOZSA-N 1 0 354.406 2.003 50 0 FEAARO CCn1c(C[NH2+][C@@H](C)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012529447 207388014 /nfs/dbraw/zinc/38/80/14/207388014.db2.gz SJUIRGHLZKADRH-ZDUSSCGKSA-N 1 0 352.504 2.441 50 0 FEAARO CSCCC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014750039 207527108 /nfs/dbraw/zinc/52/71/08/207527108.db2.gz QSJUBBDSFRCZOG-CQSZACIVSA-N 1 0 350.532 2.246 50 0 FEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]CC1(C)COC1)CC2 ZINC000014754878 207528050 /nfs/dbraw/zinc/52/80/50/207528050.db2.gz LCPCXNBLCIGQAE-INIZCTEOSA-N 1 0 374.529 2.306 50 0 FEAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCCCO)CC2)CC1 ZINC000019228901 207649125 /nfs/dbraw/zinc/64/91/25/207649125.db2.gz APYBUXWHRSNEFY-UHFFFAOYSA-N 1 0 373.541 2.170 50 0 FEAARO C[C@@H]1CN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC[NH2+]1 ZINC000188411896 207971275 /nfs/dbraw/zinc/97/12/75/207971275.db2.gz BCHDOXAYQMDVSJ-OAHLLOKOSA-N 1 0 350.422 2.347 50 0 FEAARO CS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000032399633 208027893 /nfs/dbraw/zinc/02/78/93/208027893.db2.gz BZIXCGBJNCYNIW-UHFFFAOYSA-N 1 0 372.490 2.268 50 0 FEAARO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000032778013 208044180 /nfs/dbraw/zinc/04/41/80/208044180.db2.gz UUMXWJCEVJINEP-INIZCTEOSA-N 1 0 366.421 2.104 50 0 FEAARO COCC[N@H+](C)CCCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000032923064 208057650 /nfs/dbraw/zinc/05/76/50/208057650.db2.gz BXHNYJHAPRIDGI-UHFFFAOYSA-N 1 0 355.287 2.240 50 0 FEAARO COC(=O)Cn1c(SCC[NH+]2CCCCC2)nc2ccccc2c1=O ZINC000036612114 208166079 /nfs/dbraw/zinc/16/60/79/208166079.db2.gz BBGISOMSMJTCCQ-UHFFFAOYSA-N 1 0 361.467 2.148 50 0 FEAARO CC[C@@H](CNC(=O)Cn1nnc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000040074401 208223457 /nfs/dbraw/zinc/22/34/57/208223457.db2.gz LDZDCRBDUYRTJN-SFHVURJKSA-N 1 0 363.465 2.384 50 0 FEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1 ZINC000040091408 208225825 /nfs/dbraw/zinc/22/58/25/208225825.db2.gz DXZHCRDPTLZNMY-VQIMIIECSA-N 1 0 374.460 2.043 50 0 FEAARO C[C@@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040120440 208231381 /nfs/dbraw/zinc/23/13/81/208231381.db2.gz WRBCFWLPJJFROZ-CABCVRRESA-N 1 0 359.474 2.458 50 0 FEAARO C[NH+](C)CCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040392353 208250814 /nfs/dbraw/zinc/25/08/14/208250814.db2.gz ZNYCHYGKBZIJFD-UHFFFAOYSA-N 1 0 368.828 2.321 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000299748133 208342166 /nfs/dbraw/zinc/34/21/66/208342166.db2.gz GEGXJXFHOJBJDR-YZLZLFLDSA-N 1 0 359.514 2.430 50 0 FEAARO O=c1cc(-c2ccncc2)nc(-c2ccc(CN3CCC[NH2+]CC3)cc2)[nH]1 ZINC000048187632 208389532 /nfs/dbraw/zinc/38/95/32/208389532.db2.gz UWKXBHNMKIAQMW-UHFFFAOYSA-N 1 0 361.449 2.294 50 0 FEAARO Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000077426672 542381043 /nfs/dbraw/zinc/38/10/43/542381043.db2.gz DAJGYXXBCGKJFB-KRWDZBQOSA-N 1 0 368.481 2.470 50 0 FEAARO O=C(NCCc1csc2c1CCCC2)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067741461 208722104 /nfs/dbraw/zinc/72/21/04/208722104.db2.gz HCJSKMWYFOGSDA-CQSZACIVSA-N 1 0 373.526 2.191 50 0 FEAARO CS(=O)(=O)c1cnc(COc2ccc(F)cc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071440403 208766425 /nfs/dbraw/zinc/76/64/25/208766425.db2.gz QXJWCSITPPORMN-GFCCVEGCSA-N 1 0 365.430 2.065 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)N3CCOCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072131994 208804026 /nfs/dbraw/zinc/80/40/26/208804026.db2.gz JBUJGTJWIJHSLR-XUVXKRRUSA-N 1 0 371.481 2.009 50 0 FEAARO Cc1ccn(CCCNc2nc(-c3ccco3)nc3c2CC[NH2+]CC3)n1 ZINC000072467968 208870925 /nfs/dbraw/zinc/87/09/25/208870925.db2.gz CNUJJIVCPROHTM-UHFFFAOYSA-N 1 0 352.442 2.432 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]2CC(=O)OC23CCCC3)CC1 ZINC000082156590 208950383 /nfs/dbraw/zinc/95/03/83/208950383.db2.gz FZEXHURSMQMFDC-MRXNPFEDSA-N 1 0 357.454 2.305 50 0 FEAARO COc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)nc2ccccc21 ZINC000091526818 208981539 /nfs/dbraw/zinc/98/15/39/208981539.db2.gz OKCNYZURLZHCQH-BEFAXECRSA-N 1 0 371.481 2.408 50 0 FEAARO Cc1ccc2[nH]c(C[NH+]3CCC(O)(Cn4ccnc4)CC3)cc(=O)c2c1 ZINC000091848955 209000807 /nfs/dbraw/zinc/00/08/07/209000807.db2.gz AQONJYUIKBTABA-UHFFFAOYSA-N 1 0 352.438 2.060 50 0 FEAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091895171 209003716 /nfs/dbraw/zinc/00/37/16/209003716.db2.gz QDTDXVOHROXHDV-VQTJNVASSA-N 1 0 350.462 2.318 50 0 FEAARO O=C(CCc1ccc(F)cc1F)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091915101 209005926 /nfs/dbraw/zinc/00/59/26/209005926.db2.gz VGORJIJMSWAUHG-HZPDHXFCSA-N 1 0 352.425 2.060 50 0 FEAARO OC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1CN1CCOCC1 ZINC000091932039 209006212 /nfs/dbraw/zinc/00/62/12/209006212.db2.gz PONLVDPVSXEBAS-HZPDHXFCSA-N 1 0 358.404 2.078 50 0 FEAARO CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]CN2CCC(=O)CC2)cc1 ZINC000096009242 209094601 /nfs/dbraw/zinc/09/46/01/209094601.db2.gz FUYYQRWGLJVNFO-MRXNPFEDSA-N 1 0 361.486 2.255 50 0 FEAARO COc1ccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)cc1 ZINC000091966428 209007336 /nfs/dbraw/zinc/00/73/36/209007336.db2.gz JHHQQSYJPLPVML-UHFFFAOYSA-N 1 0 366.469 2.448 50 0 FEAARO O=C(COCc1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091997314 209009839 /nfs/dbraw/zinc/00/98/39/209009839.db2.gz DPEDMCYXJIKARH-WOJBJXKFSA-N 1 0 360.498 2.146 50 0 FEAARO CCCn1ncc(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)c1C ZINC000091986098 209009916 /nfs/dbraw/zinc/00/99/16/209009916.db2.gz SLVDSGJHVFCYCA-MRXNPFEDSA-N 1 0 361.534 2.090 50 0 FEAARO COCc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)cn1 ZINC000092002593 209011912 /nfs/dbraw/zinc/01/19/12/209011912.db2.gz UIRATKHHCHVYQD-FQEVSTJZSA-N 1 0 358.486 2.380 50 0 FEAARO O=C(c1ccccc1)N1CCC([NH+]2CCC3(CC2)OCCC[C@H]3O)CC1 ZINC000095358329 209026670 /nfs/dbraw/zinc/02/66/70/209026670.db2.gz SVEJLIDUVJNIQG-LJQANCHMSA-N 1 0 358.482 2.297 50 0 FEAARO Cc1ccc2nc(C[N@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)cc(=O)n2c1 ZINC000092080365 209016021 /nfs/dbraw/zinc/01/60/21/209016021.db2.gz DWSKEOPUKHYSMW-NRFANRHFSA-N 1 0 368.481 2.226 50 0 FEAARO Cc1nc(CN2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC000095388338 209046151 /nfs/dbraw/zinc/04/61/51/209046151.db2.gz RFXJFTRHPMMDCI-KRWDZBQOSA-N 1 0 350.532 2.360 50 0 FEAARO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000095368852 209032903 /nfs/dbraw/zinc/03/29/03/209032903.db2.gz XNWXADOBUGJIPV-KRWDZBQOSA-N 1 0 366.469 2.318 50 0 FEAARO O=C(CN1CCCCC1=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095367544 209033021 /nfs/dbraw/zinc/03/30/21/209033021.db2.gz TTWVOCHWAXICHW-RTBURBONSA-N 1 0 355.482 2.122 50 0 FEAARO CC(C)n1cc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)cn1 ZINC000095368690 209033289 /nfs/dbraw/zinc/03/32/89/209033289.db2.gz LRCAZPROBNQJFO-UYAOXDASSA-N 1 0 360.502 2.049 50 0 FEAARO CN(C)[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095382483 209042469 /nfs/dbraw/zinc/04/24/69/209042469.db2.gz NQAPYRFZKNCNOB-SFHVURJKSA-N 1 0 365.518 2.468 50 0 FEAARO COCCCN1CC2(CC1=O)CC[NH+](C[C@@H]1COc3ccccc3O1)CC2 ZINC000095391879 209048249 /nfs/dbraw/zinc/04/82/49/209048249.db2.gz OWTQTTICDRWMID-QGZVFWFLSA-N 1 0 374.481 2.177 50 0 FEAARO C[C@H]1CN([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000095456054 209052765 /nfs/dbraw/zinc/05/27/65/209052765.db2.gz NTKVWQNMNACXGL-UWJYYQICSA-N 1 0 370.541 2.107 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000095501455 209062865 /nfs/dbraw/zinc/06/28/65/209062865.db2.gz YDIPMWOKHINCBK-INIZCTEOSA-N 1 0 370.501 2.455 50 0 FEAARO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)sc2ncn(C)c(=O)c12 ZINC000079094170 542499336 /nfs/dbraw/zinc/49/93/36/542499336.db2.gz RVMWXVDOKXHIJW-CYBMUJFWSA-N 1 0 362.499 2.011 50 0 FEAARO COc1cc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)ccn1 ZINC000095504489 209065843 /nfs/dbraw/zinc/06/58/43/209065843.db2.gz ICUDOPDHTAAIDM-QGZVFWFLSA-N 1 0 371.485 2.258 50 0 FEAARO O=C(CO)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095511209 209069236 /nfs/dbraw/zinc/06/92/36/209069236.db2.gz SIIFZEWDAKIWFH-GOSISDBHSA-N 1 0 364.461 2.038 50 0 FEAARO CC1(C)CC(Cc2nc(CC(N)=O)nn2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000095520039 209072245 /nfs/dbraw/zinc/07/22/45/209072245.db2.gz CISRTQODEQLJPC-UHFFFAOYSA-N 1 0 369.513 2.454 50 0 FEAARO O=C(C1CC1)N1CCC([NH+]2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000082098317 542683036 /nfs/dbraw/zinc/68/30/36/542683036.db2.gz RGCLQFUSLSXXNL-UHFFFAOYSA-N 1 0 368.481 2.286 50 0 FEAARO CC(C)(C)c1ncc(C(=O)N2CCC([NH+]3CCSCC3)CC2)c(=O)[nH]1 ZINC000082106223 542684456 /nfs/dbraw/zinc/68/44/56/542684456.db2.gz PTRIYYPOBWNTIY-UHFFFAOYSA-N 1 0 364.515 2.133 50 0 FEAARO O=C1N(Cc2noc([C@H]3CCCO3)n2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082161296 132197642 /nfs/dbraw/zinc/19/76/42/132197642.db2.gz HOVGEUBPMVJOMT-OAHLLOKOSA-N 1 0 369.425 2.002 50 0 FEAARO CCCc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)nc(C)n1 ZINC000091289306 132200811 /nfs/dbraw/zinc/20/08/11/132200811.db2.gz PXXQBGDZTDSSTP-FQEVSTJZSA-N 1 0 359.518 2.261 50 0 FEAARO Cc1ccc(N2C[C@H](Cc3ccccc3)N(C(=O)CC[NH3+])CC2=O)cc1 ZINC000091625732 132202789 /nfs/dbraw/zinc/20/27/89/132202789.db2.gz HQEULXIYYFRPIF-IBGZPJMESA-N 1 0 351.450 2.130 50 0 FEAARO CC(=O)c1ccc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc1 ZINC000091693635 132203465 /nfs/dbraw/zinc/20/34/65/132203465.db2.gz ZVXVWQCHPYMEJW-NRFANRHFSA-N 1 0 370.497 2.197 50 0 FEAARO CN(C)c1nccnc1N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095356011 132207138 /nfs/dbraw/zinc/20/71/38/132207138.db2.gz ISELKJBVSGPNDU-MRXNPFEDSA-N 1 0 357.506 2.075 50 0 FEAARO CNc1nc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)ncc1F ZINC000095525289 132214663 /nfs/dbraw/zinc/21/46/63/132214663.db2.gz GTVLFBUEOJDPEA-AWEZNQCLSA-N 1 0 361.469 2.190 50 0 FEAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(c1nc(N)nc3nc[nH]c31)CC2 ZINC000096141375 132220461 /nfs/dbraw/zinc/22/04/61/132220461.db2.gz SKCHTQQIKQVSRX-HNNXBMFYSA-N 1 0 363.469 2.393 50 0 FEAARO CN(C)c1cccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000091427162 542807232 /nfs/dbraw/zinc/80/72/32/542807232.db2.gz BAUJAVYVPPUQNY-RTBURBONSA-N 1 0 359.514 2.309 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(C)nc1)CC2 ZINC000091254661 542803255 /nfs/dbraw/zinc/80/32/55/542803255.db2.gz SQNZUIFYZVCUIR-UHFFFAOYSA-N 1 0 368.485 2.298 50 0 FEAARO CCn1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cn1 ZINC000091518945 542811871 /nfs/dbraw/zinc/81/18/71/542811871.db2.gz IRCZGFNWFMYDJE-UHFFFAOYSA-N 1 0 370.501 2.272 50 0 FEAARO O=C(c1ccc[nH]c1=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091625234 542816770 /nfs/dbraw/zinc/81/67/70/542816770.db2.gz CTFCASWESFXBQX-MAUKXSAKSA-N 1 0 363.461 2.079 50 0 FEAARO O=C(Cc1c[nH]c2ccccc12)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091635880 542817186 /nfs/dbraw/zinc/81/71/86/542817186.db2.gz QISDUHJVIBIJOV-QZTJIDSGSA-N 1 0 355.482 2.263 50 0 FEAARO COc1nc2c(cc1C(=O)N1CCC([NH+]3CCSCC3)CC1)CCC2 ZINC000091665126 542819055 /nfs/dbraw/zinc/81/90/55/542819055.db2.gz DXUJNKCJIYAWSN-UHFFFAOYSA-N 1 0 361.511 2.232 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-n3cccn3)c1)C2 ZINC000091737479 542823194 /nfs/dbraw/zinc/82/31/94/542823194.db2.gz VCBCVFHYRFZIMI-VQIMIIECSA-N 1 0 354.454 2.055 50 0 FEAARO C[C@H](CO)C[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091770536 542825456 /nfs/dbraw/zinc/82/54/56/542825456.db2.gz SLCLFWCCTHNJLQ-AWEZNQCLSA-N 1 0 352.425 2.408 50 0 FEAARO CN(C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@H]1CC[NH2+]C1 ZINC000299738614 136121912 /nfs/dbraw/zinc/12/19/12/136121912.db2.gz CUXNJGCRJVOSCU-STQMWFEESA-N 1 0 356.392 2.137 50 0 FEAARO Cc1ccc2nc(N3CC[NH+](Cc4ccccc4)CC3)c3nnnn3c2c1 ZINC000058022655 136130431 /nfs/dbraw/zinc/13/04/31/136130431.db2.gz CRRVJUQRVHAIDQ-UHFFFAOYSA-N 1 0 359.437 2.303 50 0 FEAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071765209 136140970 /nfs/dbraw/zinc/14/09/70/136140970.db2.gz WDXCDGXSNWUNJE-SFHVURJKSA-N 1 0 371.529 2.397 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3ncccn3)C[C@@H]2CCO)c(C)c1C ZINC000072406996 136145090 /nfs/dbraw/zinc/14/50/90/136145090.db2.gz HPNPYPGHMBKNMF-SFHVURJKSA-N 1 0 356.470 2.175 50 0 FEAARO COC(=O)c1ccc(N2CC[NH+](Cc3cccc4nonc43)CC2)cc1 ZINC000072475219 136149108 /nfs/dbraw/zinc/14/91/08/136149108.db2.gz OHLYFOQTGQHEFX-UHFFFAOYSA-N 1 0 352.394 2.332 50 0 FEAARO OCC[C@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+]1CCc1ccccc1 ZINC000072481637 136149832 /nfs/dbraw/zinc/14/98/32/136149832.db2.gz XCPZNMIHGJQMAW-KRWDZBQOSA-N 1 0 351.454 2.074 50 0 FEAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@@H](Cn4cc(CO)nn4)C3)CC2)c1 ZINC000023581033 136153120 /nfs/dbraw/zinc/15/31/20/136153120.db2.gz QTZZNZRAZXKKII-GOSISDBHSA-N 1 0 369.513 2.460 50 0 FEAARO Cc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)sc2nc(C)nc(C)c12 ZINC000106166914 543211152 /nfs/dbraw/zinc/21/11/52/543211152.db2.gz HKSNZDREMIOSBZ-UONOGXRCSA-N 1 0 360.483 2.210 50 0 FEAARO O=C(CC[C@@H]1CCC[N@@H+](CCCO)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095523735 209074441 /nfs/dbraw/zinc/07/44/41/209074441.db2.gz WXYZZJKBZBKXBA-NRFANRHFSA-N 1 0 373.541 2.205 50 0 FEAARO Cn1cc(C(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)ccc1=O ZINC000095523152 209074801 /nfs/dbraw/zinc/07/48/01/209074801.db2.gz SQPPBFUXUUUADR-LJQANCHMSA-N 1 0 367.493 2.412 50 0 FEAARO CCn1ncc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c1C ZINC000095522202 209074860 /nfs/dbraw/zinc/07/48/60/209074860.db2.gz LMMMVRCOTKZTMD-QGZVFWFLSA-N 1 0 372.517 2.379 50 0 FEAARO COc1cc(C(=O)NCc2cccnc2N)ccc1OC1CC[NH+](C)CC1 ZINC000095528997 209077482 /nfs/dbraw/zinc/07/74/82/209077482.db2.gz LAAOCAFWKCRNEF-UHFFFAOYSA-N 1 0 370.453 2.075 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2 ZINC000095530041 209078880 /nfs/dbraw/zinc/07/88/80/209078880.db2.gz UNXNIDLJYKKENY-MRXNPFEDSA-N 1 0 370.501 2.199 50 0 FEAARO CCOc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1OCc1ccncc1 ZINC000125405421 543880103 /nfs/dbraw/zinc/88/01/03/543880103.db2.gz PMELASQXSQTYPY-HNNXBMFYSA-N 1 0 355.438 2.493 50 0 FEAARO CN(C(=O)CSc1nnc([C@H]2CCC[NH2+]C2)n1C)C1CCCCC1 ZINC000426386245 263571355 /nfs/dbraw/zinc/57/13/55/263571355.db2.gz BPWNOACEJILKSD-ZDUSSCGKSA-N 1 0 351.520 2.165 50 0 FEAARO CCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000426412356 263581236 /nfs/dbraw/zinc/58/12/36/263581236.db2.gz IKQAOJDSUYDMGG-NRFANRHFSA-N 1 0 357.498 2.336 50 0 FEAARO NC(=O)c1cncc(N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1 ZINC000426535925 263626474 /nfs/dbraw/zinc/62/64/74/263626474.db2.gz RHNRAYXGRGEANI-NRFANRHFSA-N 1 0 365.481 2.111 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426602536 263642519 /nfs/dbraw/zinc/64/25/19/263642519.db2.gz QCYDSHIYJFYVRZ-UHFFFAOYSA-N 1 0 369.469 2.286 50 0 FEAARO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1COc2ccccc21 ZINC000189531343 328153328 /nfs/dbraw/zinc/15/33/28/328153328.db2.gz KWFYERSFSOOWOD-VYDXJSESSA-N 1 0 361.486 2.038 50 0 FEAARO Cc1nc(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c(C)s1 ZINC000124981920 326463519 /nfs/dbraw/zinc/46/35/19/326463519.db2.gz QJIJIGABZMOXHE-UHFFFAOYSA-N 1 0 351.516 2.454 50 0 FEAARO C[C@]1(C[NH3+])CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000261679047 328811042 /nfs/dbraw/zinc/81/10/42/328811042.db2.gz ANVGAJBETFNXKJ-LJQANCHMSA-N 1 0 360.408 2.450 50 0 FEAARO CCCNc1ncc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cn1 ZINC000091691045 520191262 /nfs/dbraw/zinc/19/12/62/520191262.db2.gz BEYKWNSQBBZAOW-VQIMIIECSA-N 1 0 359.518 2.374 50 0 FEAARO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(c3cccs3)CC2)CC1 ZINC000085473434 520945017 /nfs/dbraw/zinc/94/50/17/520945017.db2.gz ONGXZFPYVYIMLA-UHFFFAOYSA-N 1 0 365.499 2.228 50 0 FEAARO CCN1CCC[C@@]2(CC[N@H+](CCC(=O)NCc3ccc(C)cc3)C2)C1=O ZINC000091468774 521640668 /nfs/dbraw/zinc/64/06/68/521640668.db2.gz QACWMFXXGUZLDC-NRFANRHFSA-N 1 0 357.498 2.336 50 0 FEAARO C[NH+](C)CCNC(=O)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020863955 521784120 /nfs/dbraw/zinc/78/41/20/521784120.db2.gz HYSGVSLVEVMSTJ-UHFFFAOYSA-N 1 0 362.503 2.001 50 0 FEAARO COC(=O)CCC[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000078760617 523014535 /nfs/dbraw/zinc/01/45/35/523014535.db2.gz HNILINXMHFNKBN-UHFFFAOYSA-N 1 0 362.470 2.115 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N[C@H]2CC[C@H](O)CC2)nc1 ZINC000244852663 523796965 /nfs/dbraw/zinc/79/69/65/523796965.db2.gz UWMXCECBOYZKLR-BZSNNMDCSA-N 1 0 360.502 2.401 50 0 FEAARO COCC[NH+]1CCC(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)CC1 ZINC000082137827 523812390 /nfs/dbraw/zinc/81/23/90/523812390.db2.gz QAIZZRTZQHZDCV-LJQANCHMSA-N 1 0 374.529 2.358 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1c[nH]nc1-c1cccc(F)c1)C2 ZINC000091536113 523888118 /nfs/dbraw/zinc/88/81/18/523888118.db2.gz RNIKLNKVJUECEP-RHSMWYFYSA-N 1 0 372.444 2.399 50 0 FEAARO Cc1cc(C)nc(-n2cc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)c(C(C)C)n2)n1 ZINC000153580974 524574192 /nfs/dbraw/zinc/57/41/92/524574192.db2.gz BWFXHXDWWMIOTB-GASCZTMLSA-N 1 0 356.474 2.225 50 0 FEAARO Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000097815045 524906704 /nfs/dbraw/zinc/90/67/04/524906704.db2.gz UQRMXOPDNXFUKF-INIZCTEOSA-N 1 0 365.905 2.123 50 0 FEAARO Cc1ccccc1Oc1ncccc1CNC(=O)CC[NH+]1CCN(C)CC1 ZINC000019842056 525326069 /nfs/dbraw/zinc/32/60/69/525326069.db2.gz NMXCJYLVSRBVTM-UHFFFAOYSA-N 1 0 368.481 2.436 50 0 FEAARO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000154109283 525599166 /nfs/dbraw/zinc/59/91/66/525599166.db2.gz VBKDOFCIPIMBRQ-UWVGGRQHSA-N 1 0 351.813 2.191 50 0 FEAARO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000089448862 525934417 /nfs/dbraw/zinc/93/44/17/525934417.db2.gz WPLWMXVVMMJOJE-IGNZVWTISA-N 1 0 368.424 2.226 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ncccn2)CC1)c1ccco1 ZINC000058251134 535652289 /nfs/dbraw/zinc/65/22/89/535652289.db2.gz LQNSASNFVCZISG-KRWDZBQOSA-N 1 0 371.485 2.485 50 0 FEAARO CN(C)CC[NH2+]Cc1cc2ccc(F)cc2nc1N1CCC[C@H](CO)C1 ZINC000299771828 535890781 /nfs/dbraw/zinc/89/07/81/535890781.db2.gz YWTFUOFBBZSUTI-HNNXBMFYSA-N 1 0 360.477 2.234 50 0 FEAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000156355079 545621090 /nfs/dbraw/zinc/62/10/90/545621090.db2.gz GQOGKIWHLODUFU-IBGZPJMESA-N 1 0 357.498 2.244 50 0 FEAARO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)N1CCOCC1 ZINC000170599739 546163234 /nfs/dbraw/zinc/16/32/34/546163234.db2.gz UYQJKALCLDORRH-ULQDDVLXSA-N 1 0 366.502 2.210 50 0 FEAARO CC(=O)N[C@@H](CC(=O)OC[C@H]1C[N@H+](C(C)C)CCO1)c1ccc(C)cc1 ZINC000170617187 546165908 /nfs/dbraw/zinc/16/59/08/546165908.db2.gz KQVWYUZCTATSGL-MOPGFXCFSA-N 1 0 362.470 2.215 50 0 FEAARO O=C(Nc1cc(-n2cnnn2)ccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000178322276 546774555 /nfs/dbraw/zinc/77/45/55/546774555.db2.gz LPENEEPTCMNNFK-UHFFFAOYSA-N 1 0 373.436 2.284 50 0 FEAARO Cc1nccn1-c1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1F ZINC000194831609 548537336 /nfs/dbraw/zinc/53/73/36/548537336.db2.gz JJEDEIZQRYOCGI-UHFFFAOYSA-N 1 0 359.430 2.208 50 0 FEAARO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)N1CCc2ccccc21 ZINC000195003089 548562496 /nfs/dbraw/zinc/56/24/96/548562496.db2.gz GEQXIANGVSKITO-INIZCTEOSA-N 1 0 365.481 2.223 50 0 FEAARO Cn1ccc2cc(C[NH+]3CCC(C(N)=O)(N4CCCCC4)CC3)ccc21 ZINC000215364327 548671236 /nfs/dbraw/zinc/67/12/36/548671236.db2.gz INHCILPZMOYHMO-UHFFFAOYSA-N 1 0 354.498 2.484 50 0 FEAARO c1cnn(C[C@H]2C[N@H+](Cc3cnc(-c4ccccn4)nc3)CCCO2)c1 ZINC000216110637 548675607 /nfs/dbraw/zinc/67/56/07/548675607.db2.gz MTBQGQNPFSOFTF-QGZVFWFLSA-N 1 0 350.426 2.026 50 0 FEAARO COCCn1cncc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219570411 548695335 /nfs/dbraw/zinc/69/53/35/548695335.db2.gz IOTGFJNCRZYABX-LJQANCHMSA-N 1 0 356.470 2.200 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCCN(c3ccc(F)cc3)CC2)n1 ZINC000220158622 548698446 /nfs/dbraw/zinc/69/84/46/548698446.db2.gz BNUQUSADCIJDQM-UHFFFAOYSA-N 1 0 356.449 2.119 50 0 FEAARO Cn1ccnc1[C@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000221367864 548705594 /nfs/dbraw/zinc/70/55/94/548705594.db2.gz QNMNHMYZANFBRN-LJQANCHMSA-N 1 0 351.454 2.147 50 0 FEAARO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1COCCO1 ZINC000225759491 548742534 /nfs/dbraw/zinc/74/25/34/548742534.db2.gz IZPHSBPKIPXDFY-PWRODBHTSA-N 1 0 366.461 2.186 50 0 FEAARO COC(=O)c1cc(NC(=O)CN2C[C@@H]3CCCCC[C@H]32)cc(C(=O)OC)c1 ZINC000230173290 548758881 /nfs/dbraw/zinc/75/88/81/548758881.db2.gz SSWJWHDVVIPXOA-SUMWQHHRSA-N 1 0 374.437 2.463 50 0 FEAARO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(NC)ccc2Cl)CC1 ZINC000240333510 548883810 /nfs/dbraw/zinc/88/38/10/548883810.db2.gz FDUPPKXTOGFCBF-CQSZACIVSA-N 1 0 352.910 2.385 50 0 FEAARO O=C(CCN1CCC[N@@H+](C2CCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244716125 548892819 /nfs/dbraw/zinc/89/28/19/548892819.db2.gz LIXHHOSSWZTDLW-UHFFFAOYSA-N 1 0 371.485 2.135 50 0 FEAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000246289049 549096794 /nfs/dbraw/zinc/09/67/94/549096794.db2.gz CFWUIOFAGVXHEG-AHRSYUTCSA-N 1 0 359.514 2.029 50 0 FEAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3C(=O)NCC[C@H]3C)cc2)C1 ZINC000249554375 549604240 /nfs/dbraw/zinc/60/42/40/549604240.db2.gz LPNMDWJLJJQHOW-MDZRGWNJSA-N 1 0 372.513 2.242 50 0 FEAARO CCCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1=O ZINC000252501889 549669643 /nfs/dbraw/zinc/66/96/43/549669643.db2.gz UKMACZNVJFEBJE-IBGZPJMESA-N 1 0 372.513 2.305 50 0 FEAARO C[NH+](C)CC1(O)CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000257186978 549713716 /nfs/dbraw/zinc/71/37/16/549713716.db2.gz LCDRYECPVJQWOJ-UHFFFAOYSA-N 1 0 366.527 2.324 50 0 FEAARO COc1ccc2c(c1)c(C[N@@H+]1C[C@@H](CO)[C@H](NC(C)=O)C1)cn2C(C)C ZINC000257193397 549716092 /nfs/dbraw/zinc/71/60/92/549716092.db2.gz YMEZAAGGIXHXAZ-QFBILLFUSA-N 1 0 359.470 2.160 50 0 FEAARO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccs3)C2)cc2c(=O)[nH]nc1-2 ZINC000263587223 549911150 /nfs/dbraw/zinc/91/11/50/549911150.db2.gz DPIDDFZPFRUEGZ-LBPRGKRZSA-N 1 0 372.450 2.361 50 0 FEAARO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284292807 551516762 /nfs/dbraw/zinc/51/67/62/551516762.db2.gz KJHJDILFQMWQNH-CYBMUJFWSA-N 1 0 368.909 2.385 50 0 FEAARO Cc1ccn2ncc(C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000295730674 553051301 /nfs/dbraw/zinc/05/13/01/553051301.db2.gz VYFQTHUMOWLOGH-SFHVURJKSA-N 1 0 364.449 2.139 50 0 FEAARO CCc1noc(CCNC(=O)Nc2ccccc2OC2CC[NH+](C)CC2)n1 ZINC000299756502 553611025 /nfs/dbraw/zinc/61/10/25/553611025.db2.gz GBGWWTSANNAOQM-UHFFFAOYSA-N 1 0 373.457 2.469 50 0 FEAARO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299755779 553611138 /nfs/dbraw/zinc/61/11/38/553611138.db2.gz CTTMZCOUMWTTOG-GOSISDBHSA-N 1 0 368.481 2.370 50 0 FEAARO CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000299760041 553611237 /nfs/dbraw/zinc/61/12/37/553611237.db2.gz UHNLRIVDFLKJTA-SFHVURJKSA-N 1 0 357.498 2.314 50 0 FEAARO CC(C)(CN1CCn2nc(CNc3cnccn3)cc2C1)C[NH+]1CCCC1 ZINC000299775226 553613418 /nfs/dbraw/zinc/61/34/18/553613418.db2.gz HLFSXWHZUSDCDK-UHFFFAOYSA-N 1 0 369.517 2.223 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc4c(c3)ncn4C)cc2C1 ZINC000299790986 553614917 /nfs/dbraw/zinc/61/49/17/553614917.db2.gz BTGMDRCMUOFCLG-UHFFFAOYSA-N 1 0 366.469 2.316 50 0 FEAARO Cc1cc(C(N)=O)ccc1NC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1C ZINC000299792651 553615334 /nfs/dbraw/zinc/61/53/34/553615334.db2.gz FQUBJWKWSSSENM-QGZVFWFLSA-N 1 0 352.438 2.272 50 0 FEAARO Cc1ccn2cc(-c3ccc(NC(=O)NC[C@@]4(O)CC[NH2+]C4)cc3)nc2c1 ZINC000299799706 553616537 /nfs/dbraw/zinc/61/65/37/553616537.db2.gz YOYQTVDRCMQIIR-HXUWFJFHSA-N 1 0 365.437 2.156 50 0 FEAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000328594545 553794844 /nfs/dbraw/zinc/79/48/44/553794844.db2.gz SHEAGLWDLUYPFE-HXUWFJFHSA-N 1 0 364.534 2.004 50 0 FEAARO CCc1cc(N2CCC[C@@H](c3ccn(CCO)n3)C2)nc(N2CCCC2)[nH+]1 ZINC000426563266 559737863 /nfs/dbraw/zinc/73/78/63/559737863.db2.gz YLBNDRAXEGPUCX-MRXNPFEDSA-N 1 0 370.501 2.212 50 0 FEAARO Cc1cc(=O)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000426613010 559739018 /nfs/dbraw/zinc/73/90/18/559739018.db2.gz VWKUCAXTMJHZAA-SFHVURJKSA-N 1 0 353.466 2.336 50 0 FEAARO COc1ccc(Cn2nc(C)cc2NC(=O)N2CC[C@H](C[NH3+])C2)cc1OC ZINC000426613524 559739067 /nfs/dbraw/zinc/73/90/67/559739067.db2.gz CEDIJUIMNRQIHC-OAHLLOKOSA-N 1 0 373.457 2.070 50 0 FEAARO COc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)no2)c(OCC[NH3+])c1 ZINC000426632835 559739318 /nfs/dbraw/zinc/73/93/18/559739318.db2.gz DIIFENSYQGIWFE-HNNXBMFYSA-N 1 0 360.414 2.092 50 0 FEAARO O=C(N[C@H]1C[NH+]2CCC1CC2)N(CCCO)Cc1ccccc1Cl ZINC000426667155 559739929 /nfs/dbraw/zinc/73/99/29/559739929.db2.gz VJOBOASREXHEKF-KRWDZBQOSA-N 1 0 351.878 2.328 50 0 FEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccnn1CCO ZINC000426720041 559740854 /nfs/dbraw/zinc/74/08/54/559740854.db2.gz XMFWKJDENOQNCS-IBGZPJMESA-N 1 0 356.470 2.223 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cc4c(cc3C)OCO4)[C@H]1C[C@@H](OCCO)CC2 ZINC000426724050 559741049 /nfs/dbraw/zinc/74/10/49/559741049.db2.gz VBNAGDLQIKDCRW-FFZOFVMBSA-N 1 0 363.454 2.245 50 0 FEAARO Cc1cccc([C@H](C)NC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)n1 ZINC000534640389 562539020 /nfs/dbraw/zinc/53/90/20/562539020.db2.gz UXLMVSKGVQKBLO-KRWDZBQOSA-N 1 0 359.518 2.263 50 0 FEAARO O=C(NCc1cc(=O)[nH]cn1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000534649971 562539283 /nfs/dbraw/zinc/53/92/83/562539283.db2.gz ULPDUCWSNJYPFM-UHFFFAOYSA-N 1 0 369.469 2.032 50 0 FEAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426434864 570605070 /nfs/dbraw/zinc/60/50/70/570605070.db2.gz PMVSSQNSDHLZJG-HNNXBMFYSA-N 1 0 370.501 2.001 50 0 FEAARO C[C@H]1CCC[N@H+](CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000046878514 571079116 /nfs/dbraw/zinc/07/91/16/571079116.db2.gz XRVONLIMLOQZGD-HNNXBMFYSA-N 1 0 353.507 2.482 50 0 FEAARO Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H]1C[C@H](C3N=NC(=O)N3C)C[C@H]1O)CC2 ZINC000685941518 571101184 /nfs/dbraw/zinc/10/11/84/571101184.db2.gz YNZYLQYJLBSXJV-VVLHAWIVSA-N 1 0 356.470 2.269 50 0 FEAARO C[N@H+](Cc1ccccc1)C1CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 ZINC000426397618 571136346 /nfs/dbraw/zinc/13/63/46/571136346.db2.gz QWMPFGLHDVLGSV-KRWDZBQOSA-N 1 0 367.497 2.664 50 0 FEAARO COC(=O)[C@]1(C)C[C@H](C(=O)NCCSC)[C@H](c2ccccc2C)[N@@H+]1C ZINC000055166356 571145109 /nfs/dbraw/zinc/14/51/09/571145109.db2.gz RRVNRPNXWMXJEW-BXWFABGCSA-N 1 0 364.511 2.399 50 0 FEAARO Cc1ncsc1CCCNC(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000426361669 571215477 /nfs/dbraw/zinc/21/54/77/571215477.db2.gz IAESYQZQNWPKDO-INIZCTEOSA-N 1 0 366.531 2.280 50 0 FEAARO Cc1ccc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc1OCCC[NH3+] ZINC000426383839 571217821 /nfs/dbraw/zinc/21/78/21/571217821.db2.gz MDPKOAVWIKVOGB-UHFFFAOYSA-N 1 0 354.410 2.235 50 0 FEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1cccc(Cl)c1F ZINC000426387122 571218175 /nfs/dbraw/zinc/21/81/75/571218175.db2.gz QHOJQLPKTGFAEP-GFCCVEGCSA-N 1 0 350.825 2.459 50 0 FEAARO Cc1ccc(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)cc1OCC[NH3+] ZINC000426408880 571221206 /nfs/dbraw/zinc/22/12/06/571221206.db2.gz CQFCKFPYRZKXMC-UHFFFAOYSA-N 1 0 373.497 2.244 50 0 FEAARO Cc1cnn(CC2CCN(C(=O)c3cc(F)ccc3OCC[NH3+])CC2)c1 ZINC000426415245 571222246 /nfs/dbraw/zinc/22/22/46/571222246.db2.gz DJVCKUXHFLHHOA-UHFFFAOYSA-N 1 0 360.433 2.221 50 0 FEAARO CCC1CC[NH+](CCNC(=O)N(C)Cc2nc(-c3cccnc3)no2)CC1 ZINC000426430932 571224528 /nfs/dbraw/zinc/22/45/28/571224528.db2.gz BGFJFCQHQUOQAI-UHFFFAOYSA-N 1 0 372.473 2.395 50 0 FEAARO Cc1nn(CCCNC(=O)c2cc(F)ccc2OCC[NH3+])c(C)c1Cl ZINC000426465396 571226560 /nfs/dbraw/zinc/22/65/60/571226560.db2.gz AXBZWTGPFTVWRD-UHFFFAOYSA-N 1 0 368.840 2.450 50 0 FEAARO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170048253 571261265 /nfs/dbraw/zinc/26/12/65/571261265.db2.gz MPVWDJGGLPHUQY-JTQLQIEISA-N 1 0 354.332 2.485 50 0 FEAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1 ZINC000170086627 571262075 /nfs/dbraw/zinc/26/20/75/571262075.db2.gz OQCSWRBZPNSAQD-ZDUSSCGKSA-N 1 0 369.303 2.295 50 0 FEAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc(Br)cc1 ZINC000170086625 571262114 /nfs/dbraw/zinc/26/21/14/571262114.db2.gz OQCSWRBZPNSAQD-CYBMUJFWSA-N 1 0 369.303 2.295 50 0 FEAARO O=C(CN1CCc2ccccc2C1)NC[C@H]1CCCN(c2ccccn2)C1 ZINC000230546046 571309430 /nfs/dbraw/zinc/30/94/30/571309430.db2.gz HUXXOHZUMDTZQS-GOSISDBHSA-N 1 0 364.493 2.473 50 0 FEAARO O=S(=O)(NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC1 ZINC000670446634 571350811 /nfs/dbraw/zinc/35/08/11/571350811.db2.gz HRGLOOGYGCNVOU-SFHVURJKSA-N 1 0 351.516 2.361 50 0 FEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(OC)c(F)c3)C2)C1=O ZINC000012196516 670001245 /nfs/dbraw/zinc/00/12/45/670001245.db2.gz HTUOQAWBVASWFP-IBGZPJMESA-N 1 0 350.434 2.295 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCSC)CC1 ZINC000012315801 670001510 /nfs/dbraw/zinc/00/15/10/670001510.db2.gz VCCNOEKVEUJBGU-QGZVFWFLSA-N 1 0 369.575 2.359 50 0 FEAARO COc1cc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)ccc1S(C)(=O)=O ZINC000089578931 670702977 /nfs/dbraw/zinc/70/29/77/670702977.db2.gz HJEZHNYBRMLOEY-GFCCVEGCSA-N 1 0 367.471 2.498 50 0 FEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652384806 677485702 /nfs/dbraw/zinc/48/57/02/677485702.db2.gz ODCAAKIRQZNYJS-IMJJTQAJSA-N 1 0 356.463 2.184 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C ZINC000002465437 539349215 /nfs/dbraw/zinc/34/92/15/539349215.db2.gz HVBIZZKGEBCUHA-UHFFFAOYSA-N 1 0 368.481 2.492 50 0 FEAARO CN(C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000004374267 539383391 /nfs/dbraw/zinc/38/33/91/539383391.db2.gz XZYAOJOHSAEQAO-AWEZNQCLSA-N 1 0 364.877 2.181 50 0 FEAARO O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864298 539493880 /nfs/dbraw/zinc/49/38/80/539493880.db2.gz YHCIBCNRSIGGBF-SFHVURJKSA-N 1 0 371.506 2.360 50 0 FEAARO COC(=O)c1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000009366509 539502182 /nfs/dbraw/zinc/50/21/82/539502182.db2.gz RAALHIVJUWPWCA-UHFFFAOYSA-N 1 0 353.422 2.477 50 0 FEAARO COC(=O)[C@@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)c1ccccc1 ZINC000011814904 539534951 /nfs/dbraw/zinc/53/49/51/539534951.db2.gz BHUKLEKYSYDIDZ-SFHVURJKSA-N 1 0 352.434 2.116 50 0 FEAARO C[C@@H](O)C[NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012194538 539548503 /nfs/dbraw/zinc/54/85/03/539548503.db2.gz OXJMABAUGXORKV-OAHLLOKOSA-N 1 0 352.438 2.077 50 0 FEAARO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](C(C)C)CC3)ccc12 ZINC000014120986 539595800 /nfs/dbraw/zinc/59/58/00/539595800.db2.gz FYZSUZUWRUUJFW-UHFFFAOYSA-N 1 0 358.438 2.469 50 0 FEAARO Cc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](C4CC4)CC3)ccc12 ZINC000014166370 539597208 /nfs/dbraw/zinc/59/72/08/539597208.db2.gz MDTKMAYGSLENBX-UHFFFAOYSA-N 1 0 356.422 2.223 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000015013975 539609269 /nfs/dbraw/zinc/60/92/69/539609269.db2.gz GBIJOWBKNCTYBN-WMZOPIPTSA-N 1 0 373.497 2.427 50 0 FEAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000016022210 539626615 /nfs/dbraw/zinc/62/66/15/539626615.db2.gz DMKXXMBABNHHDX-ZYKFEASCSA-N 1 0 369.465 2.170 50 0 FEAARO O=S(=O)(CCC(F)(F)F)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252549922 209939265 /nfs/dbraw/zinc/93/92/65/209939265.db2.gz RXASNPAYRSTKDH-UHFFFAOYSA-N 1 0 374.494 2.466 50 0 FEAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000020535556 539675558 /nfs/dbraw/zinc/67/55/58/539675558.db2.gz DFMZRDATZQOKLR-FQEVSTJZSA-N 1 0 372.469 2.449 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000019731306 539668022 /nfs/dbraw/zinc/66/80/22/539668022.db2.gz JGZSUYLYMSVNRA-IBGZPJMESA-N 1 0 352.434 2.198 50 0 FEAARO CCOC(=O)c1cc(CC)sc1NC(=O)CN1CC[NH+](CC)CC1 ZINC000020191738 539673418 /nfs/dbraw/zinc/67/34/18/539673418.db2.gz ACAZSTUTIRIABY-UHFFFAOYSA-N 1 0 353.488 2.063 50 0 FEAARO CC(=O)c1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020419146 539674043 /nfs/dbraw/zinc/67/40/43/539674043.db2.gz DVSBHWPFHYEXJP-FQEVSTJZSA-N 1 0 368.477 2.447 50 0 FEAARO COCCn1c(C)cc(O)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1=O ZINC000022697812 539697219 /nfs/dbraw/zinc/69/72/19/539697219.db2.gz VIXHQDBPGSWHRO-IBGZPJMESA-N 1 0 357.454 2.479 50 0 FEAARO COCc1nc(NCCc2ccc3c(c2)OCO3)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244605573 209901930 /nfs/dbraw/zinc/90/19/30/209901930.db2.gz FBBRQIKNUYTRLJ-OKILXGFUSA-N 1 0 356.426 2.211 50 0 FEAARO CCn1c(CN2CCC(O)(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244678537 209901751 /nfs/dbraw/zinc/90/17/51/209901751.db2.gz IFLWUKUPXOHCMO-CZIWCDLHSA-N 1 0 373.476 2.125 50 0 FEAARO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507764 539761090 /nfs/dbraw/zinc/76/10/90/539761090.db2.gz GJLULJIQVCYPGX-APWZRJJASA-N 1 0 357.498 2.054 50 0 FEAARO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(Cl)cc3)cn2)CC1 ZINC000026284624 539782464 /nfs/dbraw/zinc/78/24/64/539782464.db2.gz TUBBOVCZARKTET-UHFFFAOYSA-N 1 0 373.888 2.486 50 0 FEAARO O=C(CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)NC1CC1 ZINC000026909533 539796457 /nfs/dbraw/zinc/79/64/57/539796457.db2.gz CJGMJKDAMFBRQF-UHFFFAOYSA-N 1 0 355.404 2.492 50 0 FEAARO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2)n1 ZINC000225681010 209826845 /nfs/dbraw/zinc/82/68/45/209826845.db2.gz DYHLXPFFIHQRJG-IAGOWNOFSA-N 1 0 371.485 2.408 50 0 FEAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000028724618 539835496 /nfs/dbraw/zinc/83/54/96/539835496.db2.gz DSGXUCUPFRYRMJ-OAHLLOKOSA-N 1 0 360.421 2.468 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cc2c(cccc2Cl)[nH]1 ZINC000223629060 209764714 /nfs/dbraw/zinc/76/47/14/209764714.db2.gz XAJUAKVHNKHROC-NVXWUHKLSA-N 1 0 365.861 2.287 50 0 FEAARO COCCn1cc(NC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000047003770 540284070 /nfs/dbraw/zinc/28/40/70/540284070.db2.gz OAXHBGXYTMXXGS-HNNXBMFYSA-N 1 0 357.458 2.098 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000048332405 540357692 /nfs/dbraw/zinc/35/76/92/540357692.db2.gz OBYBQSSCYQJHTH-IYBDPMFKSA-N 1 0 368.481 2.188 50 0 FEAARO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000048332887 540357770 /nfs/dbraw/zinc/35/77/70/540357770.db2.gz UMIWLDKSHOALRQ-RBUKOAKNSA-N 1 0 358.482 2.495 50 0 FEAARO CC(C)n1cnnc1CC[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055385392 540649977 /nfs/dbraw/zinc/64/99/77/540649977.db2.gz RADZRQPONUACSG-UHFFFAOYSA-N 1 0 354.458 2.021 50 0 FEAARO CC(=O)N[C@H](CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1c(F)cccc1F ZINC000247114800 209370406 /nfs/dbraw/zinc/37/04/06/209370406.db2.gz LXRMOODHEDLBPS-PVXIVEMSSA-N 1 0 353.413 2.118 50 0 FEAARO COc1cc(COC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000101845077 209383187 /nfs/dbraw/zinc/38/31/87/209383187.db2.gz IGFPZUIONLNUDO-GOEBONIOSA-N 1 0 353.459 2.322 50 0 FEAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1 ZINC000058311570 540839307 /nfs/dbraw/zinc/83/93/07/540839307.db2.gz JIMAOEPWFSHHMA-KRWDZBQOSA-N 1 0 368.485 2.246 50 0 FEAARO O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000238099946 209360702 /nfs/dbraw/zinc/36/07/02/209360702.db2.gz ZWZJDDRXKXCGHZ-STQMWFEESA-N 1 0 371.384 2.168 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+](C)C)cc1 ZINC000058178669 540831626 /nfs/dbraw/zinc/83/16/26/540831626.db2.gz SYBJHVRXWQDZGW-LJQANCHMSA-N 1 0 364.449 2.124 50 0 FEAARO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)s2)cc1Cl ZINC000237829721 209354294 /nfs/dbraw/zinc/35/42/94/209354294.db2.gz RUHLDIQIPRHWKY-FZMZJTMJSA-N 1 0 351.859 2.357 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC000237454360 209348051 /nfs/dbraw/zinc/34/80/51/209348051.db2.gz MIEUCSNADHVQTP-WFASDCNBSA-N 1 0 364.467 2.319 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000237206551 209339258 /nfs/dbraw/zinc/33/92/58/209339258.db2.gz KHWNBXYUGXHKEC-JTQLQIEISA-N 1 0 365.268 2.208 50 0 FEAARO CS(=O)(=O)c1ccc(OCCCN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000058378178 540841330 /nfs/dbraw/zinc/84/13/30/540841330.db2.gz CGVXRQDQSKPFJF-MRXNPFEDSA-N 1 0 352.500 2.029 50 0 FEAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2ccc(F)cc2Cl)[nH+]1 ZINC000044213729 209316439 /nfs/dbraw/zinc/31/64/39/209316439.db2.gz AMEZJSVSSNAJQM-UHFFFAOYSA-N 1 0 351.813 2.485 50 0 FEAARO [NH3+]CCc1nc2ccccc2c(NCCNC(=O)c2ccc(F)cc2)n1 ZINC000065385639 541235856 /nfs/dbraw/zinc/23/58/56/541235856.db2.gz BZAHXLYIVWQIHT-UHFFFAOYSA-N 1 0 353.401 2.112 50 0 FEAARO Cc1cc(-n2nc(CCc3ccccc3)nc2CS(C)(=O)=O)cc[nH+]1 ZINC000065460722 541239186 /nfs/dbraw/zinc/23/91/86/541239186.db2.gz SHYLYXBCJOOIOW-UHFFFAOYSA-N 1 0 356.451 2.301 50 0 FEAARO [NH3+]CCc1nc2ccccc2c(NCCc2nc(-c3ccccn3)no2)n1 ZINC000065455188 541239257 /nfs/dbraw/zinc/23/92/57/541239257.db2.gz MLOLAJWFNRVZTQ-UHFFFAOYSA-N 1 0 361.409 2.231 50 0 FEAARO Cc1nc(Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)cs1 ZINC000065488435 541240336 /nfs/dbraw/zinc/24/03/36/541240336.db2.gz RBLHCTAQDNHNDH-UHFFFAOYSA-N 1 0 369.494 2.389 50 0 FEAARO Cc1cc(N2CCC[C@H](Cn3cc(Cc4ccccc4)nn3)C2)nc(N)[nH+]1 ZINC000065504509 541241154 /nfs/dbraw/zinc/24/11/54/541241154.db2.gz KZCUHRWJNINCPK-KRWDZBQOSA-N 1 0 363.469 2.466 50 0 FEAARO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)C1 ZINC000065499570 541241365 /nfs/dbraw/zinc/24/13/65/541241365.db2.gz MCMCOYNNFSJLCD-QGZVFWFLSA-N 1 0 369.469 2.021 50 0 FEAARO CC[C@@H](O)C1CCN(C(=O)c2cnn3cc(C[NH+](CC)CC)cnc23)CC1 ZINC000067459403 541466891 /nfs/dbraw/zinc/46/68/91/541466891.db2.gz QFFLZNOTUVDBBR-GOSISDBHSA-N 1 0 373.501 2.194 50 0 FEAARO COc1cccc(CCC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)c1 ZINC000067560924 541480787 /nfs/dbraw/zinc/48/07/87/541480787.db2.gz VJJSHHXFWMVMHZ-UHFFFAOYSA-N 1 0 359.514 2.256 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc(OC)c(COC)c2)CC1 ZINC000067587826 541484213 /nfs/dbraw/zinc/48/42/13/541484213.db2.gz ZCMCCFXIVLFAEQ-UHFFFAOYSA-N 1 0 360.458 2.126 50 0 FEAARO CCNc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(C)[nH+]1 ZINC000067612167 541489976 /nfs/dbraw/zinc/48/99/76/541489976.db2.gz CWWYITCFKPOSLJ-UHFFFAOYSA-N 1 0 360.487 2.253 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)C1 ZINC000067676333 541497884 /nfs/dbraw/zinc/49/78/84/541497884.db2.gz LBCRSGMLMGGRIK-MRXNPFEDSA-N 1 0 364.453 2.138 50 0 FEAARO C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C(=O)NCCCN2C ZINC000067695200 541500084 /nfs/dbraw/zinc/50/00/84/541500084.db2.gz PCKMDEBZXZATEI-QGZVFWFLSA-N 1 0 353.551 2.240 50 0 FEAARO C[NH+]1CCC(Cc2noc(-c3ccc(-c4ccncc4)[nH]c3=O)n2)CC1 ZINC000067713860 541504274 /nfs/dbraw/zinc/50/42/74/541504274.db2.gz CSWXWXYBIKAYFM-UHFFFAOYSA-N 1 0 351.410 2.371 50 0 FEAARO O=C(C[NH+]1CCCC1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067787270 541513702 /nfs/dbraw/zinc/51/37/02/541513702.db2.gz QDUXEOOLDSGVMU-UHFFFAOYSA-N 1 0 353.422 2.271 50 0 FEAARO Cc1ncc(CO)c(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1O ZINC000067742415 541507948 /nfs/dbraw/zinc/50/79/48/541507948.db2.gz AMONQAILJCQHSF-HXUWFJFHSA-N 1 0 367.493 2.263 50 0 FEAARO Cc1ccc(CN2C(=O)N[C@@](c3ccccn3)(C3CC[NH2+]CC3)C2=O)cc1 ZINC000067834108 541518770 /nfs/dbraw/zinc/51/87/70/541518770.db2.gz YRVXCUYGPUFHHH-OAQYLSRUSA-N 1 0 364.449 2.337 50 0 FEAARO COCC(=O)N1CCC2(CC1)C[N@H+](Cc1cc3ccccc3o1)CCN2C ZINC000067868300 541522921 /nfs/dbraw/zinc/52/29/21/541522921.db2.gz FCRDPPRCDJQXDV-UHFFFAOYSA-N 1 0 371.481 2.188 50 0 FEAARO Cc1nnsc1C[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067894567 541526787 /nfs/dbraw/zinc/52/67/87/541526787.db2.gz OVCFFPLZQOBQPK-GOSISDBHSA-N 1 0 366.531 2.260 50 0 FEAARO Cc1ccc(CN2CCN(C)C3(CC[NH+](C)CC3)C2)n1-c1cccnc1 ZINC000067955562 541532950 /nfs/dbraw/zinc/53/29/50/541532950.db2.gz ZOIGSIWTRJNKHA-UHFFFAOYSA-N 1 0 353.514 2.393 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000067966049 541533825 /nfs/dbraw/zinc/53/38/25/541533825.db2.gz CEIRBKGWUHCTMY-YJBOKZPZSA-N 1 0 353.422 2.157 50 0 FEAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1OC ZINC000236771298 209197994 /nfs/dbraw/zinc/19/79/94/209197994.db2.gz PXQMGKOKQVGYIL-PXNSSMCTSA-N 1 0 373.497 2.207 50 0 FEAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)[C@H](c1cccnc1)N1CCOCC1 ZINC000097785456 209196863 /nfs/dbraw/zinc/19/68/63/209196863.db2.gz RFSTYVVWKJXQPX-IBGZPJMESA-N 1 0 374.529 2.226 50 0 FEAARO CN(C(=O)c1ccc2[nH]c(CO)nc2c1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097578828 209187997 /nfs/dbraw/zinc/18/79/97/209187997.db2.gz LYPAOPDISMBYHQ-GOSISDBHSA-N 1 0 352.438 2.430 50 0 FEAARO CSc1nn(CCC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCC4 ZINC000071281741 541765733 /nfs/dbraw/zinc/76/57/33/541765733.db2.gz BTHQMECNTJDMFN-UHFFFAOYSA-N 1 0 363.512 2.268 50 0 FEAARO CNC(=O)[C@@H]1CC[N@H+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000071524488 541767433 /nfs/dbraw/zinc/76/74/33/541767433.db2.gz CCCHJDTYFZKMRC-CYBMUJFWSA-N 1 0 359.426 2.235 50 0 FEAARO O=C(c1cccnc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071498290 541767488 /nfs/dbraw/zinc/76/74/88/541767488.db2.gz JLDMXQMUSRIGFJ-GOSISDBHSA-N 1 0 370.497 2.021 50 0 FEAARO CCn1ccnc1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071524279 541767496 /nfs/dbraw/zinc/76/74/96/541767496.db2.gz IZQGUGHBYBTTPE-SFHVURJKSA-N 1 0 373.545 2.202 50 0 FEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000071715180 541769956 /nfs/dbraw/zinc/76/99/56/541769956.db2.gz DRWZAMGZYZINAL-UHFFFAOYSA-N 1 0 366.469 2.232 50 0 FEAARO CC(C)c1ncc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]1 ZINC000071753441 541770338 /nfs/dbraw/zinc/77/03/38/541770338.db2.gz TZLCQPKASJEVNW-KRWDZBQOSA-N 1 0 360.502 2.476 50 0 FEAARO Cc1cc(=O)c(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH]1 ZINC000071759313 541771302 /nfs/dbraw/zinc/77/13/02/541771302.db2.gz SRIKCLWPQYTDLH-CEWLAPEOSA-N 1 0 363.461 2.386 50 0 FEAARO CC[C@@H](C[NH+](C)C)Nc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 ZINC000071762701 541771480 /nfs/dbraw/zinc/77/14/80/541771480.db2.gz SAANHWWYTBGZJT-INIZCTEOSA-N 1 0 368.485 2.195 50 0 FEAARO Cc1noc(C)c1CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071777132 541772159 /nfs/dbraw/zinc/77/21/59/541772159.db2.gz GRLCKSAFNGDZLT-INIZCTEOSA-N 1 0 360.502 2.246 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2ccccc2-c2nn[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071763720 541772315 /nfs/dbraw/zinc/77/23/15/541772315.db2.gz SBZIEVABOVSKEA-GOSISDBHSA-N 1 0 368.485 2.449 50 0 FEAARO O=C(CCn1ccccc1=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072072866 541782284 /nfs/dbraw/zinc/78/22/84/541782284.db2.gz CIGAMTXCPYXPHX-UHFFFAOYSA-N 1 0 367.493 2.406 50 0 FEAARO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000072072085 541782692 /nfs/dbraw/zinc/78/26/92/541782692.db2.gz XAMVFSPHWNBYSZ-CQSZACIVSA-N 1 0 365.478 2.173 50 0 FEAARO Nc1nccc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072126386 541784299 /nfs/dbraw/zinc/78/42/99/541784299.db2.gz SGCKXHHQIAHYPY-KBAYOESNSA-N 1 0 357.408 2.404 50 0 FEAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3OCCn3ccnc3)CC2)O1 ZINC000072140295 541786430 /nfs/dbraw/zinc/78/64/30/541786430.db2.gz FSZCDPZUPDZKND-FQEVSTJZSA-N 1 0 370.453 2.427 50 0 FEAARO O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072149819 541789089 /nfs/dbraw/zinc/78/90/89/541789089.db2.gz HAOWTXOJULYFMC-GOSISDBHSA-N 1 0 354.454 2.138 50 0 FEAARO O=C(NCC[C@H]1CCC[NH2+]1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000072159085 541791375 /nfs/dbraw/zinc/79/13/75/541791375.db2.gz IOSYXBWLFBXPJV-CYBMUJFWSA-N 1 0 367.375 2.217 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000072161959 541792746 /nfs/dbraw/zinc/79/27/46/541792746.db2.gz NRBSKFXNDFQABR-IBGZPJMESA-N 1 0 359.495 2.263 50 0 FEAARO COc1cc(CCC(=O)N2CCC([NH+]3CCC(O)CC3)CC2)ccc1C ZINC000072163928 541793499 /nfs/dbraw/zinc/79/34/99/541793499.db2.gz BOKSJDPEPZAQHC-UHFFFAOYSA-N 1 0 360.498 2.384 50 0 FEAARO O=C(c1ccccc1-c1ccccc1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC000072169346 541794735 /nfs/dbraw/zinc/79/47/35/541794735.db2.gz JSTMFKKUWMTHCV-NRFANRHFSA-N 1 0 352.434 2.185 50 0 FEAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000072408408 541806567 /nfs/dbraw/zinc/80/65/67/541806567.db2.gz WOABBCWQLPRQDZ-UHFFFAOYSA-N 1 0 370.497 2.259 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1ccc(C(F)(F)F)nc1)CC[NH2+]C2 ZINC000072410789 541807369 /nfs/dbraw/zinc/80/73/69/541807369.db2.gz QZYAALVVQLINNA-UHFFFAOYSA-N 1 0 350.344 2.380 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c(F)c1 ZINC000072423937 541810045 /nfs/dbraw/zinc/81/00/45/541810045.db2.gz UCVNEFIBYAFHAM-MAUKXSAKSA-N 1 0 350.434 2.030 50 0 FEAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072427914 541810757 /nfs/dbraw/zinc/81/07/57/541810757.db2.gz XZGBMKIQQUBWIX-OAQYLSRUSA-N 1 0 372.513 2.153 50 0 FEAARO Nc1nc2c(c(NCc3cc(-c4cccc(F)c4)no3)n1)CC[NH2+]CC2 ZINC000072427794 541810786 /nfs/dbraw/zinc/81/07/86/541810786.db2.gz JZWKQBFMFHCJFW-UHFFFAOYSA-N 1 0 354.389 2.153 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)C1 ZINC000072432235 541812850 /nfs/dbraw/zinc/81/28/50/541812850.db2.gz KIBIJMRXWQIDNI-DLBZAZTESA-N 1 0 353.422 2.467 50 0 FEAARO Cc1ccsc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072462559 541817139 /nfs/dbraw/zinc/81/71/39/541817139.db2.gz CKRRWHBCLUHLNM-LJQANCHMSA-N 1 0 355.463 2.032 50 0 FEAARO Cc1cc(CN2CCC3(CN(CC[N@@H+](C)CC(C)C)C(=O)O3)CC2)on1 ZINC000072473400 541818679 /nfs/dbraw/zinc/81/86/79/541818679.db2.gz DAGDYSDNZCCKTL-UHFFFAOYSA-N 1 0 364.490 2.358 50 0 FEAARO Cc1ccccc1OC[C@H]1CCCN(C(=O)C2CC[NH+](CCO)CC2)C1 ZINC000072476689 541819563 /nfs/dbraw/zinc/81/95/63/541819563.db2.gz USCRYYNYXCLCNE-SFHVURJKSA-N 1 0 360.498 2.317 50 0 FEAARO C[NH+]1CCC(Cc2nc(Cn3nccn3)n(CC3CCCCC3)n2)CC1 ZINC000096151936 209124623 /nfs/dbraw/zinc/12/46/23/209124623.db2.gz JFMQOQOWCLYIEJ-UHFFFAOYSA-N 1 0 357.506 2.383 50 0 FEAARO Cc1nc[nH]c1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000096132455 209117787 /nfs/dbraw/zinc/11/77/87/209117787.db2.gz GARXGOKQTTWNEY-UHFFFAOYSA-N 1 0 366.473 2.269 50 0 FEAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000075582435 542190688 /nfs/dbraw/zinc/19/06/88/542190688.db2.gz WLYFPGHYJQSCSH-QGZVFWFLSA-N 1 0 359.470 2.124 50 0 FEAARO COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000299774664 206642629 /nfs/dbraw/zinc/64/26/29/206642629.db2.gz IMRZNXJASVJUDX-ZDUSSCGKSA-N 1 0 368.865 2.483 50 0 FEAARO O=c1[nH]c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)nc2cc(Cl)ccc12 ZINC000096791933 206807202 /nfs/dbraw/zinc/80/72/02/206807202.db2.gz ZJDUUYTYPFOITG-AWEZNQCLSA-N 1 0 362.861 2.285 50 0 FEAARO [NH3+]CCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000002573156 206921816 /nfs/dbraw/zinc/92/18/16/206921816.db2.gz JMQNARBJSCGBKD-UHFFFAOYSA-N 1 0 360.254 2.257 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000004194893 207006710 /nfs/dbraw/zinc/00/67/10/207006710.db2.gz XZBIHOLONGQCGT-UHFFFAOYSA-N 1 0 358.467 2.371 50 0 FEAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000004271595 207011496 /nfs/dbraw/zinc/01/14/96/207011496.db2.gz DGXNRHOAPBHXCX-KRWDZBQOSA-N 1 0 367.380 2.434 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000004711033 207040999 /nfs/dbraw/zinc/04/09/99/207040999.db2.gz XIXZWXSUBKYBAY-UYAOXDASSA-N 1 0 371.525 2.316 50 0 FEAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCCCN3CCOCC3)c12 ZINC000005346078 207094144 /nfs/dbraw/zinc/09/41/44/207094144.db2.gz KNDMHSYVRYKGEG-UHFFFAOYSA-N 1 0 374.533 2.134 50 0 FEAARO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1C ZINC000006586279 207147071 /nfs/dbraw/zinc/14/70/71/207147071.db2.gz VMFGFLCXPLOUOF-CPUCHLNUSA-N 1 0 367.515 2.290 50 0 FEAARO CC(C)[C@H]1SC[C@@H](C(=O)NCC[NH+](C)C)N1C(=O)c1ccc(F)cc1 ZINC000006834606 207170928 /nfs/dbraw/zinc/17/09/28/207170928.db2.gz GVKOKOLFVPXKLE-MAUKXSAKSA-N 1 0 367.490 2.043 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCC3 ZINC000006840903 207171255 /nfs/dbraw/zinc/17/12/55/207171255.db2.gz NRKQFIVIJRETSZ-UHFFFAOYSA-N 1 0 362.499 2.174 50 0 FEAARO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007386188 207193633 /nfs/dbraw/zinc/19/36/33/207193633.db2.gz CYBLQKAJJGAVSR-KFWWJZLASA-N 1 0 367.515 2.242 50 0 FEAARO COc1ccc(CC[N@H+](C)Cc2cc(=O)n3ccsc3n2)cc1OC ZINC000007486884 207196761 /nfs/dbraw/zinc/19/67/61/207196761.db2.gz GRCJQUQVYBUYCN-UHFFFAOYSA-N 1 0 359.451 2.448 50 0 FEAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cnc2sccn2c1=O ZINC000008231409 207224541 /nfs/dbraw/zinc/22/45/41/207224541.db2.gz HVJSBSUEXQWRTK-UHFFFAOYSA-N 1 0 368.462 2.282 50 0 FEAARO CC[NH+](CC)CCSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000008611782 207239194 /nfs/dbraw/zinc/23/91/94/207239194.db2.gz IMQWGBRCRSCLHQ-UHFFFAOYSA-N 1 0 364.515 2.190 50 0 FEAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)n1 ZINC000011666709 207316360 /nfs/dbraw/zinc/31/63/60/207316360.db2.gz HDTYSIGHGOAHKV-HXUWFJFHSA-N 1 0 357.429 2.172 50 0 FEAARO Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011933659 207330385 /nfs/dbraw/zinc/33/03/85/207330385.db2.gz SNEGYKUDFXWSET-OAHLLOKOSA-N 1 0 359.470 2.183 50 0 FEAARO CC(=O)NCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011841268 207326285 /nfs/dbraw/zinc/32/62/85/207326285.db2.gz ZJIINDKFLZCPCO-FQEVSTJZSA-N 1 0 359.514 2.492 50 0 FEAARO O=C(c1cc2ccccc2[nH]1)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000012185867 207345469 /nfs/dbraw/zinc/34/54/69/207345469.db2.gz GREYOEBHWIEEAE-UHFFFAOYSA-N 1 0 368.481 2.328 50 0 FEAARO CC[C@H](O)CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012281111 207354165 /nfs/dbraw/zinc/35/41/65/207354165.db2.gz MXRSBBFBAZZVCM-KBPBESRZSA-N 1 0 368.861 2.310 50 0 FEAARO CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4ccnc4C(C)C)n[nH]3)C2)C1 ZINC000012302969 207355189 /nfs/dbraw/zinc/35/51/89/207355189.db2.gz SEOVKYYLIPOYTH-HXUWFJFHSA-N 1 0 370.501 2.336 50 0 FEAARO O=C(c1ccc[n+]([O-])c1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012304198 207355698 /nfs/dbraw/zinc/35/56/98/207355698.db2.gz AWQHBKCYBCGTNM-LJQANCHMSA-N 1 0 366.465 2.089 50 0 FEAARO COc1cc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc2c1OCO2 ZINC000012315320 207358070 /nfs/dbraw/zinc/35/80/70/207358070.db2.gz JPLYKTLCCMJGCM-MRXNPFEDSA-N 1 0 372.396 2.454 50 0 FEAARO O=C1C[C@H]([NH2+]Cc2cccc3c2OCO3)CN1C1Cc2ccccc2C1 ZINC000012580137 207396107 /nfs/dbraw/zinc/39/61/07/207396107.db2.gz DQKUPTQVILTIBZ-KRWDZBQOSA-N 1 0 350.418 2.273 50 0 FEAARO COCC1CC[NH+](C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000012596502 207401645 /nfs/dbraw/zinc/40/16/45/207401645.db2.gz FQVAQCGSFHWEQM-FQEVSTJZSA-N 1 0 364.461 2.038 50 0 FEAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000022276760 207800868 /nfs/dbraw/zinc/80/08/68/207800868.db2.gz XWVNUBOXXHFTNU-UHFFFAOYSA-N 1 0 362.437 2.188 50 0 FEAARO CCN1CCN(C(=O)c2ccc(SCC[NH+](CC)CC)nc2)CC1 ZINC000021663600 207776443 /nfs/dbraw/zinc/77/64/43/207776443.db2.gz PLHYYBYPGQYWTN-UHFFFAOYSA-N 1 0 350.532 2.293 50 0 FEAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCC[NH+]3CCCCC3)c2)s1 ZINC000033022557 208066614 /nfs/dbraw/zinc/06/66/14/208066614.db2.gz VXLZDDXRRMYNCK-UHFFFAOYSA-N 1 0 373.482 2.315 50 0 FEAARO CCOc1ccccc1CNC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1 ZINC000033069155 208069946 /nfs/dbraw/zinc/06/99/46/208069946.db2.gz OZEHNSCKQFCPPQ-UHFFFAOYSA-N 1 0 370.453 2.436 50 0 FEAARO Cc1ccc(C)c(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COC(C)C)c1 ZINC000036103803 208147597 /nfs/dbraw/zinc/14/75/97/208147597.db2.gz DHNPRAKVAFNIJK-OAQYLSRUSA-N 1 0 364.530 2.224 50 0 FEAARO CN(Cc1ccc2nonc2c1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000039490215 208210772 /nfs/dbraw/zinc/21/07/72/208210772.db2.gz PKKQNNLERULZPL-UHFFFAOYSA-N 1 0 350.422 2.280 50 0 FEAARO OCCOc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c1 ZINC000039500525 208211234 /nfs/dbraw/zinc/21/12/34/208211234.db2.gz QKFNEABTSLDDIZ-HXUWFJFHSA-N 1 0 362.514 2.259 50 0 FEAARO Cc1c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C ZINC000040087731 208223197 /nfs/dbraw/zinc/22/31/97/208223197.db2.gz ZFFYGRZJMZFBPZ-HUUCEWRRSA-N 1 0 356.470 2.268 50 0 FEAARO C[C@@H](CNC(=O)Nc1cccc(N2CCNC2=O)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000040120441 208232406 /nfs/dbraw/zinc/23/24/06/208232406.db2.gz WRBCFWLPJJFROZ-GJZGRUSLSA-N 1 0 359.474 2.458 50 0 FEAARO O=C(NCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000040153262 208237995 /nfs/dbraw/zinc/23/79/95/208237995.db2.gz FUMHBZNHWUUVQV-UHFFFAOYSA-N 1 0 370.434 2.387 50 0 FEAARO COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Cl)c1OC ZINC000040721155 208264129 /nfs/dbraw/zinc/26/41/29/208264129.db2.gz QDTOEQCWUMDVHL-UHFFFAOYSA-N 1 0 357.867 2.153 50 0 FEAARO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]CCOCCO)cc1 ZINC000040732880 208265293 /nfs/dbraw/zinc/26/52/93/208265293.db2.gz WJAZUELEFNBKOR-UHFFFAOYSA-N 1 0 358.438 2.111 50 0 FEAARO O=C(CCOc1ccc(F)cc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000042392960 208290636 /nfs/dbraw/zinc/29/06/36/208290636.db2.gz UJDGKQVLZMSGCB-GOSISDBHSA-N 1 0 350.434 2.308 50 0 FEAARO CC(C)N(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000045966624 208353460 /nfs/dbraw/zinc/35/34/60/208353460.db2.gz HNFWTIMRZZVUKC-UHFFFAOYSA-N 1 0 355.841 2.152 50 0 FEAARO CCc1nnc(SCC(=O)N2C[C@@H](c3ccc(C)cc3)[C@H]([NH+](C)C)C2)[nH]1 ZINC000077322965 542367721 /nfs/dbraw/zinc/36/77/21/542367721.db2.gz ZMEGDEGEVNGNPW-JKSUJKDBSA-N 1 0 373.526 2.324 50 0 FEAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OCCOC)c(C)c2)CC1 ZINC000047593993 208383119 /nfs/dbraw/zinc/38/31/19/208383119.db2.gz RAXIPLLELVRQEN-UHFFFAOYSA-N 1 0 370.515 2.125 50 0 FEAARO CCSc1ccc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)s1 ZINC000077376463 542374474 /nfs/dbraw/zinc/37/44/74/542374474.db2.gz NSYHHLBMZCFYIU-QGZVFWFLSA-N 1 0 370.540 2.159 50 0 FEAARO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000077379852 542375376 /nfs/dbraw/zinc/37/53/76/542375376.db2.gz XOEQSXORWJBRLK-SFHVURJKSA-N 1 0 357.502 2.444 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3ccncc3)C[C@@H]2CCO)cc1C ZINC000077383582 542375567 /nfs/dbraw/zinc/37/55/67/542375567.db2.gz SKCIRIHVBWKZLV-FQEVSTJZSA-N 1 0 355.482 2.467 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)NCc1ccccc1 ZINC000077406758 542379424 /nfs/dbraw/zinc/37/94/24/542379424.db2.gz UJVMNXCHMRKJEQ-OAQYLSRUSA-N 1 0 355.482 2.170 50 0 FEAARO Cc1sc2nc(Cn3cnc4sc5c(c4c3=O)CC[NH2+]C5)cn2c1C ZINC000077356861 542372171 /nfs/dbraw/zinc/37/21/71/542372171.db2.gz MPZMKQTUDZEUDL-UHFFFAOYSA-N 1 0 371.491 2.478 50 0 FEAARO Cc1cc(C)n(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000077454451 542384498 /nfs/dbraw/zinc/38/44/98/542384498.db2.gz QQSVKBSDLYZTRI-LJQANCHMSA-N 1 0 356.470 2.066 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1sccc1NC(=O)c1cnccn1 ZINC000067335664 208704069 /nfs/dbraw/zinc/70/40/69/208704069.db2.gz IUPCLIYYIVLLLL-UHFFFAOYSA-N 1 0 361.471 2.252 50 0 FEAARO Cc1c2ccccc2oc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067712799 208720238 /nfs/dbraw/zinc/72/02/38/208720238.db2.gz IVPYVYYSJQLYCH-CQSZACIVSA-N 1 0 353.426 2.262 50 0 FEAARO CCC[NH+]1CCC(Cc2noc(-c3cn(C[C@@H]4CCCO4)nn3)n2)CC1 ZINC000072145423 208808356 /nfs/dbraw/zinc/80/83/56/208808356.db2.gz LCIWDVXJZJOMSD-HNNXBMFYSA-N 1 0 360.462 2.172 50 0 FEAARO O=C(NCc1ncc2c(n1)CCC2)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072165568 208820022 /nfs/dbraw/zinc/82/00/22/208820022.db2.gz QVWAKRJGYJKZDS-MRXNPFEDSA-N 1 0 350.466 2.437 50 0 FEAARO Cn1cc(CC(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)c2ccccc21 ZINC000077287328 208895972 /nfs/dbraw/zinc/89/59/72/208895972.db2.gz FAPJEEGRLDBRKV-NRFANRHFSA-N 1 0 355.482 2.170 50 0 FEAARO Cc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1 ZINC000091872872 209002985 /nfs/dbraw/zinc/00/29/85/209002985.db2.gz LYVAIUOGLRRNOY-UHFFFAOYSA-N 1 0 365.481 2.399 50 0 FEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3n2C)C1 ZINC000091896023 209003304 /nfs/dbraw/zinc/00/33/04/209003304.db2.gz IRQDXXKCWALJND-FUHWJXTLSA-N 1 0 354.498 2.163 50 0 FEAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C2CCC(C)CC2)CC1 ZINC000095996862 209094734 /nfs/dbraw/zinc/09/47/34/209094734.db2.gz YOGDSSZIKXVUBZ-UHFFFAOYSA-N 1 0 354.520 2.348 50 0 FEAARO Cc1occc1C(=O)NCC(=O)N1CCC2(C[C@@H]2C[NH+]2CCCC2)CC1 ZINC000095982771 209092681 /nfs/dbraw/zinc/09/26/81/209092681.db2.gz YGVFCHGXMLXIFU-MRXNPFEDSA-N 1 0 359.470 2.042 50 0 FEAARO COCC[C@]1(CO)CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000091951540 209008262 /nfs/dbraw/zinc/00/82/62/209008262.db2.gz RTOJLZBAVOZAJD-LJQANCHMSA-N 1 0 350.459 2.127 50 0 FEAARO Cc1ccsc1CNC(=O)[C@H]1C[NH2+]C[C@@H](C(=O)Nc2ccc(C)nc2)C1 ZINC000095351985 209022565 /nfs/dbraw/zinc/02/25/65/209022565.db2.gz LETVWOYJFIPRPV-CABCVRRESA-N 1 0 372.494 2.241 50 0 FEAARO CC[N@H+](C)C[C@@H]1CN(Cc2cnc(-c3ccccc3OC)nc2)C[C@@H]1CO ZINC000092046412 209015151 /nfs/dbraw/zinc/01/51/51/209015151.db2.gz RAJFORGFZAZTBS-QZTJIDSGSA-N 1 0 370.497 2.144 50 0 FEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCO[C@H](Cn2cccn2)C1 ZINC000095389546 209045289 /nfs/dbraw/zinc/04/52/89/209045289.db2.gz JUKUINYDKQURSG-IBGZPJMESA-N 1 0 372.469 2.006 50 0 FEAARO O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000095366760 209030638 /nfs/dbraw/zinc/03/06/38/209030638.db2.gz IXWPETWZACQMKA-UHFFFAOYSA-N 1 0 372.494 2.436 50 0 FEAARO CC(C)n1cc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cn1 ZINC000095369640 209033434 /nfs/dbraw/zinc/03/34/34/209033434.db2.gz HBKWRVWKCNOUKI-INIZCTEOSA-N 1 0 358.490 2.242 50 0 FEAARO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)c(OC)c1OC ZINC000095374825 209037383 /nfs/dbraw/zinc/03/73/83/209037383.db2.gz RPFUOYQSVKQPHN-INIZCTEOSA-N 1 0 351.443 2.218 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CSc2ccncc2)C1 ZINC000095380275 209040911 /nfs/dbraw/zinc/04/09/11/209040911.db2.gz XSFOGKFVBKFBOK-INIZCTEOSA-N 1 0 373.526 2.338 50 0 FEAARO Cc1ccccc1CSc1nc(N)cc(NC[C@]2(O)CCC[NH2+]C2)n1 ZINC000095385112 209042160 /nfs/dbraw/zinc/04/21/60/209042160.db2.gz BAUISHVBOQWZFC-SFHVURJKSA-N 1 0 359.499 2.186 50 0 FEAARO Cn1c(CN2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000095477368 209058700 /nfs/dbraw/zinc/05/87/00/209058700.db2.gz PIHOFIOCACBHIA-UHFFFAOYSA-N 1 0 353.466 2.245 50 0 FEAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)Cc3cnc[nH]3)C2)cc1 ZINC000095497542 209060481 /nfs/dbraw/zinc/06/04/81/209060481.db2.gz JPXXYISOJGKUKQ-GOSISDBHSA-N 1 0 370.497 2.374 50 0 FEAARO Cc1ccccc1[C@H]1CCCN1C(=O)CN1CC2(CC[NH2+]CC2)OC1=O ZINC000095500863 209061406 /nfs/dbraw/zinc/06/14/06/209061406.db2.gz BZUNOWDHNSHOGV-QGZVFWFLSA-N 1 0 357.454 2.233 50 0 FEAARO NC(=O)C[NH+]1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000095501929 209063871 /nfs/dbraw/zinc/06/38/71/209063871.db2.gz WEMKFPKVIUZDBG-UHFFFAOYSA-N 1 0 371.525 2.445 50 0 FEAARO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCn3ncnc32)c2ccccc21 ZINC000079053921 542496614 /nfs/dbraw/zinc/49/66/14/542496614.db2.gz FYSRITLJKLPPDD-MRXNPFEDSA-N 1 0 352.442 2.059 50 0 FEAARO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)CC1 ZINC000095513169 209070923 /nfs/dbraw/zinc/07/09/23/209070923.db2.gz YPXOSPVZWBGURP-UHFFFAOYSA-N 1 0 364.921 2.500 50 0 FEAARO COCCc1nc(-c2ccc3nccnc3c2)n(C2CC[NH+](C)CC2)n1 ZINC000095519019 209072630 /nfs/dbraw/zinc/07/26/30/209072630.db2.gz JQWSSZTXJCIWGQ-UHFFFAOYSA-N 1 0 352.442 2.344 50 0 FEAARO COCC[NH+]1CCC(CN(C)C(=O)[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095520036 209071994 /nfs/dbraw/zinc/07/19/94/209071994.db2.gz YNNSNHCLAUXYAB-LJQANCHMSA-N 1 0 360.498 2.445 50 0 FEAARO Cc1cnc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cn1 ZINC000082087678 542683406 /nfs/dbraw/zinc/68/34/06/542683406.db2.gz UTJGDVAZLBQCMW-UHFFFAOYSA-N 1 0 368.485 2.450 50 0 FEAARO Cc1ccc(CSc2nc(N)cc(N3CCO[C@H](CC[NH3+])C3)n2)cc1 ZINC000095361254 132207842 /nfs/dbraw/zinc/20/78/42/132207842.db2.gz HDLZXXAHBKFBLW-OAHLLOKOSA-N 1 0 359.499 2.214 50 0 FEAARO CCc1cnc(C)nc1N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095366004 132208179 /nfs/dbraw/zinc/20/81/79/132208179.db2.gz ZYXZPKPVHYIUMZ-NRFANRHFSA-N 1 0 371.529 2.261 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)CCn3cccn3)CC2)c1 ZINC000095391476 132210398 /nfs/dbraw/zinc/21/03/98/132210398.db2.gz SGVOIFSZHRFVPH-LJQANCHMSA-N 1 0 369.513 2.299 50 0 FEAARO c1cn2nc(N3CC[NH+](C[C@@H]4CCOc5ccccc5C4)CC3)ccc2n1 ZINC000095527190 132214572 /nfs/dbraw/zinc/21/45/72/132214572.db2.gz QZKWUZCIGGIKAC-QGZVFWFLSA-N 1 0 363.465 2.493 50 0 FEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1N1CCOCC1 ZINC000195350105 132267140 /nfs/dbraw/zinc/26/71/40/132267140.db2.gz PURJEJPRVXCOQN-UHFFFAOYSA-N 1 0 365.477 2.311 50 0 FEAARO O=c1cc([C@H]2CCC[N@H+](CCN3CCN(c4ccccc4)CC3)C2)nc[nH]1 ZINC000244873035 132291270 /nfs/dbraw/zinc/29/12/70/132291270.db2.gz WIZVJECAUNPKHP-SFHVURJKSA-N 1 0 367.497 2.184 50 0 FEAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(Cn3ccnc3C)CC2)n1 ZINC000244899341 132291691 /nfs/dbraw/zinc/29/16/91/132291691.db2.gz ZIBPYSOHXOICDU-QAQDUYKDSA-N 1 0 370.501 2.249 50 0 FEAARO CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000091462157 542809232 /nfs/dbraw/zinc/80/92/32/542809232.db2.gz VSZDKZBMIITUNI-HNNXBMFYSA-N 1 0 356.470 2.142 50 0 FEAARO CCN1CC2(CCC1=O)CC[NH+]([C@H](C)C(=O)NCc1ccccc1)CC2 ZINC000091505288 542810799 /nfs/dbraw/zinc/81/07/99/542810799.db2.gz DWSCEVNWVQDPCV-QGZVFWFLSA-N 1 0 357.498 2.416 50 0 FEAARO C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)c2ccccc2F)CC3)C1 ZINC000091585538 542813302 /nfs/dbraw/zinc/81/33/02/542813302.db2.gz KVMJADNBDWCPCL-MRXNPFEDSA-N 1 0 373.472 2.375 50 0 FEAARO Cc1ccc(-c2cc(CN3CC[N@@H+](C)[C@]4(C3)CCNC(=O)CC4)on2)cc1 ZINC000091650389 542817882 /nfs/dbraw/zinc/81/78/82/542817882.db2.gz YJWNFRCUNUXENX-NRFANRHFSA-N 1 0 368.481 2.436 50 0 FEAARO COCCN1CC2(CCC1=O)CC[NH+](CCn1cnc3ccccc31)CC2 ZINC000091586447 542814459 /nfs/dbraw/zinc/81/44/59/542814459.db2.gz LPKJQWPYFKQKHU-UHFFFAOYSA-N 1 0 370.497 2.387 50 0 FEAARO COc1ccc2c(c1)C[C@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)CO2 ZINC000091663563 542818844 /nfs/dbraw/zinc/81/88/44/542818844.db2.gz WTDDCAFNVIFZOI-IBGZPJMESA-N 1 0 366.461 2.421 50 0 FEAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2 ZINC000091695710 542820531 /nfs/dbraw/zinc/82/05/31/542820531.db2.gz ZJNQCTUBNQWNOF-VXGBXAGGSA-N 1 0 364.389 2.300 50 0 FEAARO Cc1cc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)Nc3ccc(C)cc3)C2)on1 ZINC000091829345 542827437 /nfs/dbraw/zinc/82/74/37/542827437.db2.gz BOLFLGGFKGUKTG-JKSUJKDBSA-N 1 0 370.453 2.114 50 0 FEAARO C[NH+](C)CC(C)(C)CNC(=O)c1cnc(COc2ccccc2)[nH]c1=O ZINC000091845735 542828171 /nfs/dbraw/zinc/82/81/71/542828171.db2.gz AFTMTIDYRNSIEK-UHFFFAOYSA-N 1 0 358.442 2.079 50 0 FEAARO CCCc1nnc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)s1 ZINC000091817627 542826803 /nfs/dbraw/zinc/82/68/03/542826803.db2.gz BKPWJOJQSLFCPE-UHFFFAOYSA-N 1 0 365.547 2.261 50 0 FEAARO Cc1cccc(N2CC[NH+](CCCNc3cn[nH]c(=O)c3Cl)CC2)c1 ZINC000072277277 136144112 /nfs/dbraw/zinc/14/41/12/136144112.db2.gz LOQIXBQZUUFMMB-UHFFFAOYSA-N 1 0 361.877 2.356 50 0 FEAARO c1cn(C[C@@H]2CCCN(c3nc(C4CC4)nc4c3CC[NH2+]CC4)C2)cn1 ZINC000072408293 136145168 /nfs/dbraw/zinc/14/51/68/136145168.db2.gz SPRWNMPYQNAABK-HNNXBMFYSA-N 1 0 352.486 2.155 50 0 FEAARO Cc1cc2nc(C(C)C)cc(N3CCC4(CC3)C[N@H+](C)CCN4C)n2n1 ZINC000072474564 136149093 /nfs/dbraw/zinc/14/90/93/136149093.db2.gz KFIKHEXQOHHPOJ-UHFFFAOYSA-N 1 0 356.518 2.377 50 0 FEAARO O=C(c1ccco1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697960 136151433 /nfs/dbraw/zinc/15/14/33/136151433.db2.gz LBAFFYAHUUCFAV-UHFFFAOYSA-N 1 0 350.382 2.171 50 0 FEAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000094870915 542956048 /nfs/dbraw/zinc/95/60/48/542956048.db2.gz CORHTNUNKXTNTB-SECBINFHSA-N 1 0 353.307 2.049 50 0 FEAARO COCc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000097252246 543008496 /nfs/dbraw/zinc/00/84/96/543008496.db2.gz AETFJHFZDCPPGG-UHFFFAOYSA-N 1 0 357.454 2.368 50 0 FEAARO COc1ccc(-n2ccnc2CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc1 ZINC000104629104 543136380 /nfs/dbraw/zinc/13/63/80/543136380.db2.gz JBYQRENLYCYFIF-LJQANCHMSA-N 1 0 372.513 2.406 50 0 FEAARO CN1CCO[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000105471854 543174196 /nfs/dbraw/zinc/17/41/96/543174196.db2.gz HQXTWKSMKCAPQP-HXUWFJFHSA-N 1 0 363.465 2.355 50 0 FEAARO CN1CCO[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000105471681 543174545 /nfs/dbraw/zinc/17/45/45/543174545.db2.gz CSKQKZJIRACOHR-HXUWFJFHSA-N 1 0 363.465 2.355 50 0 FEAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCc3nnc(-c4ccccc4)n3CC2)C1 ZINC000095525878 209076245 /nfs/dbraw/zinc/07/62/45/209076245.db2.gz NUGFZVDHVKZBPX-GOSISDBHSA-N 1 0 367.497 2.450 50 0 FEAARO COc1ccccc1[C@H](C)N(C)C(=O)CN1CC2(CC1=O)CC[NH+](C)CC2 ZINC000095528714 209077778 /nfs/dbraw/zinc/07/77/78/209077778.db2.gz IQAMOABLOJNRBV-INIZCTEOSA-N 1 0 373.497 2.159 50 0 FEAARO CC[C@@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CC[N@@H+]1CCOC ZINC000117484170 543632958 /nfs/dbraw/zinc/63/29/58/543632958.db2.gz JDBSQRJQUDITIC-LJQANCHMSA-N 1 0 374.529 2.408 50 0 FEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000126293589 543928416 /nfs/dbraw/zinc/92/84/16/543928416.db2.gz VEIGGVPCKBKABS-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(Br)cc1 ZINC000125648848 543893870 /nfs/dbraw/zinc/89/38/70/543893870.db2.gz CEWMYHBUSDGIMM-NSHDSACASA-N 1 0 363.259 2.377 50 0 FEAARO CC(C)(C)Oc1cccc(CCC(=O)NC[C@@H]2CN(C3CC3)CCO2)n1 ZINC000133724923 544280708 /nfs/dbraw/zinc/28/07/08/544280708.db2.gz OLCLFQQFRYVREE-QGZVFWFLSA-N 1 0 361.486 2.171 50 0 FEAARO [NH3+]C1CCN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000237829145 328530499 /nfs/dbraw/zinc/53/04/99/328530499.db2.gz QWESBIUXZZMLPO-IBGZPJMESA-N 1 0 351.450 2.498 50 0 FEAARO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](C2)[N@H+](CC2CC2)C3)cc1C ZINC000091768962 518158602 /nfs/dbraw/zinc/15/86/02/518158602.db2.gz SMBIIUZUBULLSQ-IAGOWNOFSA-N 1 0 364.511 2.499 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000091656145 519685420 /nfs/dbraw/zinc/68/54/20/519685420.db2.gz GLLKFPGJAIVIAB-CQSZACIVSA-N 1 0 352.862 2.429 50 0 FEAARO CC(C)[C@@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1nc(C2CC2)no1 ZINC000252677588 519798702 /nfs/dbraw/zinc/79/87/02/519798702.db2.gz ZFPFEIQVHXZVHC-VNHYZAJKSA-N 1 0 373.461 2.108 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNS(=O)(=O)c2ccc(CC)cc2)n1 ZINC000082230632 520270501 /nfs/dbraw/zinc/27/05/01/520270501.db2.gz PAPLFEKUHSUJBX-UHFFFAOYSA-N 1 0 363.487 2.170 50 0 FEAARO CCCCO[C@H]1C[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1(C)C ZINC000236867404 520847220 /nfs/dbraw/zinc/84/72/20/520847220.db2.gz ZAJMHJHOIQWXSP-HOTGVXAUSA-N 1 0 363.506 2.225 50 0 FEAARO CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1Cl ZINC000091643396 520979953 /nfs/dbraw/zinc/97/99/53/520979953.db2.gz GNALJNMMVAQMRB-IAGOWNOFSA-N 1 0 368.905 2.111 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C1 ZINC000178999936 522090767 /nfs/dbraw/zinc/09/07/67/522090767.db2.gz RKUYOTATPMDBHQ-MRXNPFEDSA-N 1 0 367.449 2.046 50 0 FEAARO C[NH+]1CCC(OCCCNC(=O)c2cccc(-c3cncnc3)c2)CC1 ZINC000299785435 523781317 /nfs/dbraw/zinc/78/13/17/523781317.db2.gz ZJIFIIAXOJGSAN-UHFFFAOYSA-N 1 0 354.454 2.374 50 0 FEAARO CN1CC[C@@]2(CN(CCCOCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091452251 523900273 /nfs/dbraw/zinc/90/02/73/523900273.db2.gz RIIQCATWLGQEDD-OAQYLSRUSA-N 1 0 359.514 2.222 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)CN3CCc4ccccc43)C[C@@H]2[NH3+])c1 ZINC000091596035 524179109 /nfs/dbraw/zinc/17/91/09/524179109.db2.gz PAYIUNSNMBGYMV-MOPGFXCFSA-N 1 0 351.450 2.011 50 0 FEAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3ccnc3)n2C)C1 ZINC000091426806 524448229 /nfs/dbraw/zinc/44/82/29/524448229.db2.gz ATJRWSKRBQHKFG-QGZVFWFLSA-N 1 0 366.469 2.448 50 0 FEAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3nccn3C)C2)CC1 ZINC000020212300 524562427 /nfs/dbraw/zinc/56/24/27/524562427.db2.gz VQLRTPKQENQJKY-SFHVURJKSA-N 1 0 369.513 2.215 50 0 FEAARO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)C[C@@H](C)[NH2+]1 ZINC000153287280 524855800 /nfs/dbraw/zinc/85/58/00/524855800.db2.gz SYISBCWLCKHYMY-RKDXNWHRSA-N 1 0 365.282 2.219 50 0 FEAARO C[C@@H]1CN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000153719404 524888203 /nfs/dbraw/zinc/88/82/03/524888203.db2.gz SXTBPTCPTHBKMR-AOOOYVTPSA-N 1 0 371.338 2.248 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cc(-c3cccn3C)n[nH]2)CC1 ZINC000082096466 526236858 /nfs/dbraw/zinc/23/68/58/526236858.db2.gz PWKHZYUECUCRKB-UHFFFAOYSA-N 1 0 364.453 2.471 50 0 FEAARO NC(=O)COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000216483624 526892899 /nfs/dbraw/zinc/89/28/99/526892899.db2.gz JTSCXMIJSWOWIM-AWEZNQCLSA-N 1 0 362.861 2.313 50 0 FEAARO O=C1CCC2(CC[NH+](CCCn3ccnc3)CC2)CN1[C@H]1CC[C@H](O)CC1 ZINC000243893437 526964899 /nfs/dbraw/zinc/96/48/99/526964899.db2.gz AREHKXCAYDSNOU-WGSAOQKQSA-N 1 0 374.529 2.281 50 0 FEAARO Cc1nc2ccc(C(=O)NCC[C@H]3CCC(=O)N3CC[NH+](C)C)cc2s1 ZINC000216388182 527135579 /nfs/dbraw/zinc/13/55/79/527135579.db2.gz QYCXWCIDFXFIEG-OAHLLOKOSA-N 1 0 374.510 2.277 50 0 FEAARO Cc1ncc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)cn1 ZINC000247953495 527253607 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50 0 FEAARO C[NH+]1CCC(C(=O)NCC2(Cn3cccn3)CC2)(c2ccccc2)CC1 ZINC000220670528 548702208 /nfs/dbraw/zinc/70/22/08/548702208.db2.gz KNVBTHNHYVLNTB-UHFFFAOYSA-N 1 0 352.482 2.443 50 0 FEAARO Cc1ccc(C)c(CN2CCn3nc([C@H](O)c4nccn4C)cc3C2)c1 ZINC000221227924 548703602 /nfs/dbraw/zinc/70/36/02/548703602.db2.gz SHIIRDWNLIAUQR-IBGZPJMESA-N 1 0 351.454 2.331 50 0 FEAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000244626727 548891805 /nfs/dbraw/zinc/89/18/05/548891805.db2.gz FRLDDXQHTKICSL-LBPRGKRZSA-N 1 0 355.467 2.486 50 0 FEAARO Cc1ccc(C2(C(=O)N[C@@H]3CCN(Cc4ccccn4)C[C@H]3O)CC2)cc1 ZINC000244788075 548895445 /nfs/dbraw/zinc/89/54/45/548895445.db2.gz QIVWULCCRQAGQP-WOJBJXKFSA-N 1 0 365.477 2.173 50 0 FEAARO O=C(COC[C@@H]1CCCCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000244831501 548896113 /nfs/dbraw/zinc/89/61/13/548896113.db2.gz UESLWWICTQTINE-IBGZPJMESA-N 1 0 364.461 2.492 50 0 FEAARO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000246289065 549096843 /nfs/dbraw/zinc/09/68/43/549096843.db2.gz CFWUIOFAGVXHEG-UXPWSPDFSA-N 1 0 359.514 2.029 50 0 FEAARO COCC[N@@H+]1CC[C@H](C(=O)NCCCc2nc3c(ccc(C)c3C)[nH]2)C1 ZINC000252508488 549670712 /nfs/dbraw/zinc/67/07/12/549670712.db2.gz XOCJSNYLBLEFPM-INIZCTEOSA-N 1 0 358.486 2.197 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1cnc2sccc2c1=O ZINC000253399333 549686552 /nfs/dbraw/zinc/68/65/52/549686552.db2.gz CVBTYXXTLFRXPC-GOEBONIOSA-N 1 0 374.510 2.181 50 0 FEAARO COC(=O)C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000253429862 549688452 /nfs/dbraw/zinc/68/84/52/549688452.db2.gz VAIHBPUNPRUAOB-OAHLLOKOSA-N 1 0 350.434 2.449 50 0 FEAARO CS(=O)(=O)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257183861 549713300 /nfs/dbraw/zinc/71/33/00/549713300.db2.gz SMSIPGOENVAFTR-QGZVFWFLSA-N 1 0 356.532 2.224 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000261820356 549758434 /nfs/dbraw/zinc/75/84/34/549758434.db2.gz WOXQFPNKKUOUQA-GHMZBOCLSA-N 1 0 352.378 2.333 50 0 FEAARO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CCc1cscn1 ZINC000285272829 551729916 /nfs/dbraw/zinc/72/99/16/551729916.db2.gz NHJRSYWYDWLZFV-KBXCAEBGSA-N 1 0 361.515 2.351 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000299754494 553610526 /nfs/dbraw/zinc/61/05/26/553610526.db2.gz YDTPMMLDERXFRH-IEBWSBKVSA-N 1 0 355.482 2.365 50 0 FEAARO O=C(CCN1CCOCC1)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299759920 553610891 /nfs/dbraw/zinc/61/08/91/553610891.db2.gz PCFAODBCIWJOKS-SFHVURJKSA-N 1 0 365.905 2.315 50 0 FEAARO Cc1ccccc1SCC(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000299755169 553611183 /nfs/dbraw/zinc/61/11/83/553611183.db2.gz CUUAUJSPVHLGCO-GOSISDBHSA-N 1 0 359.539 2.326 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(C(=O)CCc1nc3ccccc3[nH]1)CC2 ZINC000299763339 553612042 /nfs/dbraw/zinc/61/20/42/553612042.db2.gz UPMBDEKPBGPFGC-UHFFFAOYSA-N 1 0 369.513 2.124 50 0 FEAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2c(-c3ccccc3)c(C)nn2C)C1 ZINC000299768237 553612318 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FEAARO [NH3+]CCCOc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000299800086 553616494 /nfs/dbraw/zinc/61/64/94/553616494.db2.gz UXPCAEGBCQIHEU-INIZCTEOSA-N 1 0 371.437 2.042 50 0 FEAARO C[C@@H](NC(=O)CSCC[NH+]1CCCC1)c1nncn1C1CCCC1 ZINC000299802276 553616611 /nfs/dbraw/zinc/61/66/11/553616611.db2.gz YQGSCFSCEBCXON-CQSZACIVSA-N 1 0 351.520 2.399 50 0 FEAARO Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(N4CCCC4)cn[nH+]3)C2)s1 ZINC000409420832 558691076 /nfs/dbraw/zinc/69/10/76/558691076.db2.gz DTYGHNRMUJTZOL-CQSZACIVSA-N 1 0 357.483 2.455 50 0 FEAARO O=C(c1ccc(-c2ccc(O)cc2F)cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000426487959 559735486 /nfs/dbraw/zinc/73/54/86/559735486.db2.gz IGCFTNMGQHQNQJ-QGZVFWFLSA-N 1 0 369.440 2.318 50 0 FEAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000426489377 559735701 /nfs/dbraw/zinc/73/57/01/559735701.db2.gz OQNWUKJQBJVTQE-UHFFFAOYSA-N 1 0 354.454 2.450 50 0 FEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cnc(N4CCOCC4)s3)[C@H]2C1 ZINC000426515798 559736588 /nfs/dbraw/zinc/73/65/88/559736588.db2.gz VOLHGPGREOELNJ-UWWQBHOKSA-N 1 0 367.515 2.138 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccccc2)C(=O)C1 ZINC000426563579 559737904 /nfs/dbraw/zinc/73/79/04/559737904.db2.gz ZJUDDBQPARIRLR-PKOBYXMFSA-N 1 0 370.497 2.309 50 0 FEAARO O=C(Nc1cccc(-n2cnnc2)c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000426571332 559737960 /nfs/dbraw/zinc/73/79/60/559737960.db2.gz AKEWPGXEUGVGMB-SFHVURJKSA-N 1 0 370.457 2.032 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cc4ccccc4[nH]c3=O)[C@H]1C[C@@H](OCCO)CC2 ZINC000426571464 559738131 /nfs/dbraw/zinc/73/81/31/559738131.db2.gz JSJNOXINFXWXDE-HFSMHLIXSA-N 1 0 372.465 2.461 50 0 FEAARO O=C(NCc1ccc(F)cc1F)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426652118 559739570 /nfs/dbraw/zinc/73/95/70/559739570.db2.gz VTSGOTSGLMJPDI-UHFFFAOYSA-N 1 0 353.413 2.097 50 0 FEAARO Cn1ccnc1-c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000426677915 559740206 /nfs/dbraw/zinc/74/02/06/559740206.db2.gz YECJDOUVJRQLRY-LJQANCHMSA-N 1 0 368.481 2.460 50 0 FEAARO Cc1ccc(C)c(CNC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000426690246 559740315 /nfs/dbraw/zinc/74/03/15/559740315.db2.gz HAHNACQLMJYSPA-HXUWFJFHSA-N 1 0 356.514 2.225 50 0 FEAARO C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nnc2n1CCCC2 ZINC000527825575 562305293 /nfs/dbraw/zinc/30/52/93/562305293.db2.gz XIGTWXYSUBYTDU-ZBFHGGJFSA-N 1 0 360.506 2.382 50 0 FEAARO CCn1ncc(CNC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)c1C ZINC000534581132 562537165 /nfs/dbraw/zinc/53/71/65/562537165.db2.gz LFWHQPUKQBCTQQ-UHFFFAOYSA-N 1 0 370.501 2.412 50 0 FEAARO CCn1nc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000534661629 562539639 /nfs/dbraw/zinc/53/96/39/562539639.db2.gz OXENEWZWHCVSLY-UHFFFAOYSA-N 1 0 364.453 2.483 50 0 FEAARO O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cccc(-c2c[nH]cn2)c1 ZINC000426477542 570606872 /nfs/dbraw/zinc/60/68/72/570606872.db2.gz JEEBYXLHBADGJO-UHFFFAOYSA-N 1 0 367.453 2.487 50 0 FEAARO CC1CC[NH+](Cc2cc(=O)n3nc(NCc4ccccc4)[nH]c3n2)CC1 ZINC000101795666 570823745 /nfs/dbraw/zinc/82/37/45/570823745.db2.gz SJRRAJXNUARPCX-UHFFFAOYSA-N 1 0 352.442 2.262 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3C[C@@H](O)C[C@H]3c3ccccc3)c[nH]2)CC1 ZINC000685942782 571103286 /nfs/dbraw/zinc/10/32/86/571103286.db2.gz VSDLVAAZMPZAAJ-WMZOPIPTSA-N 1 0 354.454 2.167 50 0 FEAARO Cn1ccnc1[C@@H]1N(C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)CC1(C)C ZINC000685942766 571103614 /nfs/dbraw/zinc/10/36/14/571103614.db2.gz VMJPKDWPLOUVMX-HNNXBMFYSA-N 1 0 356.474 2.176 50 0 FEAARO Cn1ccnc1[C@H]1N(C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)CC1(C)C ZINC000685942770 571103686 /nfs/dbraw/zinc/10/36/86/571103686.db2.gz VMJPKDWPLOUVMX-OAHLLOKOSA-N 1 0 356.474 2.176 50 0 FEAARO CC1CCN(C(=O)CCNC(=O)c2cc(Cl)ccc2OCC[NH3+])CC1 ZINC000426397333 571219458 /nfs/dbraw/zinc/21/94/58/571219458.db2.gz CTGUXGWSSATSQT-UHFFFAOYSA-N 1 0 367.877 2.056 50 0 FEAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc(-c3ccc4c(c3)OCC4)c2)C1 ZINC000584888376 571314210 /nfs/dbraw/zinc/31/42/10/571314210.db2.gz KDVPXFRHFIXDGB-JOCHJYFZSA-N 1 0 366.461 2.427 50 0 FEAARO CN1CC2(CC[NH+](Cc3ccc([C@@H]4CCCO4)s3)CC2)OCC1=O ZINC000670456410 571354250 /nfs/dbraw/zinc/35/42/50/571354250.db2.gz DFAMTXNIAONVGF-HNNXBMFYSA-N 1 0 350.484 2.423 50 0 FEAARO CSCCc1nc(C[C@H]2C[N@H+](C)CCN2C)n(-c2cccc(F)c2)n1 ZINC000108408294 670829641 /nfs/dbraw/zinc/82/96/41/670829641.db2.gz CGDONHNIOAURCE-INIZCTEOSA-N 1 0 363.506 2.100 50 0 FEAARO CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000179116774 672398896 /nfs/dbraw/zinc/39/88/96/672398896.db2.gz QRQWRFOXQIFOGJ-AWEZNQCLSA-N 1 0 353.451 2.430 50 0 FEAARO O=C(CCN1CCCCCC1=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952974601 681793705 /nfs/dbraw/zinc/79/37/05/681793705.db2.gz OLQGVSXBCVIHAN-UHFFFAOYSA-N 1 0 367.559 2.255 50 0 FEAARO CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@@H](OC(F)F)C2)CC1 ZINC000888100009 688545618 /nfs/dbraw/zinc/54/56/18/688545618.db2.gz SKINFUOPWCXWAS-UONOGXRCSA-N 1 0 361.433 2.043 50 0 FEAARO O=C1CC2(CCCC2)CC(=O)N1CC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000001536786 539342357 /nfs/dbraw/zinc/34/23/57/539342357.db2.gz BVMYCHKQPGEOSI-HNNXBMFYSA-N 1 0 358.438 2.125 50 0 investigational FEAARO C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCC[N@H+](C)CC1 ZINC000003430420 539366164 /nfs/dbraw/zinc/36/61/64/539366164.db2.gz AOLGXVUGBIZPHO-INIZCTEOSA-N 1 0 353.466 2.051 50 0 FEAARO CCCC[NH+](CCCC)CCNC(=O)CN1C(=O)COc2ccccc21 ZINC000004688239 539390247 /nfs/dbraw/zinc/39/02/47/539390247.db2.gz MHAZDBKDCVUFBJ-UHFFFAOYSA-N 1 0 361.486 2.430 50 0 FEAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000007612568 539461799 /nfs/dbraw/zinc/46/17/99/539461799.db2.gz GILPZPUPBVQSGW-UHFFFAOYSA-N 1 0 365.293 2.078 50 0 FEAARO O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000008697002 539490254 /nfs/dbraw/zinc/49/02/54/539490254.db2.gz MPOUNSPASUVAQJ-INIZCTEOSA-N 1 0 371.437 2.137 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000011838972 539535981 /nfs/dbraw/zinc/53/59/81/539535981.db2.gz LVUSOKOAIKMMMW-OAHLLOKOSA-N 1 0 351.441 2.387 50 0 FEAARO O=C1O[C@@H]2C[N@@H+](CCCn3cccn3)C[C@@H]2N1CCc1ccc(F)cc1 ZINC000012092424 539542613 /nfs/dbraw/zinc/54/26/13/539542613.db2.gz WBUFBAXBMFUEBL-ZWKOTPCHSA-N 1 0 358.417 2.160 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc3scnc3c2)CC1 ZINC000012386914 539557432 /nfs/dbraw/zinc/55/74/32/539557432.db2.gz IAAHPENSUPZULM-UHFFFAOYSA-N 1 0 367.478 2.373 50 0 FEAARO Cc1c(CNc2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)cnn1C ZINC000014981370 539607982 /nfs/dbraw/zinc/60/79/82/539607982.db2.gz ZQWVQFOXQOGADM-GOSISDBHSA-N 1 0 370.501 2.340 50 0 FEAARO CN(Cc1ccon1)c1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000015066464 539610758 /nfs/dbraw/zinc/61/07/58/539610758.db2.gz AJFUHTYUKWQBMS-KRWDZBQOSA-N 1 0 357.458 2.310 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677575 539621769 /nfs/dbraw/zinc/62/17/69/539621769.db2.gz LISPIOVVWKMXHS-OAHLLOKOSA-N 1 0 368.481 2.337 50 0 FEAARO CCCCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000015864089 539625179 /nfs/dbraw/zinc/62/51/79/539625179.db2.gz ANKHXJISEBACNT-UHFFFAOYSA-N 1 0 353.413 2.029 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000015962659 539625875 /nfs/dbraw/zinc/62/58/75/539625875.db2.gz CYGNWMPJDONMFY-HNNXBMFYSA-N 1 0 372.469 2.093 50 0 FEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000017012326 539638623 /nfs/dbraw/zinc/63/86/23/539638623.db2.gz ZKVWHUUVBXSNMT-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO COc1cc2[nH]c3c(ncn(CC[NH+]4CCCCC4)c3=O)c2cc1OC ZINC000020232302 539673105 /nfs/dbraw/zinc/67/31/05/539673105.db2.gz GYCPRXROFPYQBM-UHFFFAOYSA-N 1 0 356.426 2.381 50 0 FEAARO Cc1ccc(C(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)cc1C ZINC000021153008 539681501 /nfs/dbraw/zinc/68/15/01/539681501.db2.gz AHOQOQXGJYZEOV-FQEVSTJZSA-N 1 0 354.498 2.360 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000021793580 539687237 /nfs/dbraw/zinc/68/72/37/539687237.db2.gz FBIDUKVAXWGVEJ-UHFFFAOYSA-N 1 0 359.861 2.467 50 0 FEAARO Cc1ncc2c(c1-c1noc(-c3cn[nH]c3)n1)CC[N@H+](C1CCOCC1)C2 ZINC000020869677 539678182 /nfs/dbraw/zinc/67/81/82/539678182.db2.gz KXSPLHPRRPGCSA-UHFFFAOYSA-N 1 0 366.425 2.367 50 0 FEAARO O=C(CC[NH+]1CCN(Cc2ccccn2)CC1)N1CCc2ccccc21 ZINC000022242599 539692764 /nfs/dbraw/zinc/69/27/64/539692764.db2.gz QFIPDVCANNGACJ-UHFFFAOYSA-N 1 0 350.466 2.179 50 0 FEAARO COc1ccc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000022914804 539702829 /nfs/dbraw/zinc/70/28/29/539702829.db2.gz DZKKKPWLLZDQTI-UHFFFAOYSA-N 1 0 353.466 2.494 50 0 FEAARO O=C(NCc1cccs1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127433 539706545 /nfs/dbraw/zinc/70/65/45/539706545.db2.gz JPWLQTYGUFRGFF-UHFFFAOYSA-N 1 0 371.506 2.393 50 0 FEAARO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000023506294 539715939 /nfs/dbraw/zinc/71/59/39/539715939.db2.gz RIJNIGGUANBTGL-KRWDZBQOSA-N 1 0 368.481 2.477 50 0 FEAARO C[C@@H]1C[NH+](CCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](C)O1 ZINC000023584700 539716549 /nfs/dbraw/zinc/71/65/49/539716549.db2.gz ZHDKMUXSZSGCKS-GQYGNMKRSA-N 1 0 363.502 2.280 50 0 FEAARO CS(=O)(=O)c1ccc(C2(C(=O)N3CC[C@H](C[NH3+])C3)CCCCC2)cc1 ZINC000244742168 209905770 /nfs/dbraw/zinc/90/57/70/209905770.db2.gz OCXQXAZQIGLALT-OAHLLOKOSA-N 1 0 364.511 2.099 50 0 FEAARO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507712 539760857 /nfs/dbraw/zinc/76/08/57/539760857.db2.gz LROMKYRGDOXLAU-MRXNPFEDSA-N 1 0 357.498 2.054 50 0 FEAARO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000026832965 539793931 /nfs/dbraw/zinc/79/39/31/539793931.db2.gz VQRSBHBARABTDD-UHFFFAOYSA-N 1 0 360.479 2.422 50 0 FEAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000028029873 539824136 /nfs/dbraw/zinc/82/41/36/539824136.db2.gz DAMOTWMAXCVBHA-UHFFFAOYSA-N 1 0 360.426 2.289 50 0 FEAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000030900355 539893367 /nfs/dbraw/zinc/89/33/67/539893367.db2.gz PEOPANSWAWILBM-UHFFFAOYSA-N 1 0 373.453 2.234 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cnc2oc(C)c(C)c2c1=O ZINC000035378368 539981348 /nfs/dbraw/zinc/98/13/48/539981348.db2.gz LNAWSYBLQWAOFT-MRXNPFEDSA-N 1 0 374.485 2.377 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000035375468 539981356 /nfs/dbraw/zinc/98/13/56/539981356.db2.gz GFOJAQICYFSWDZ-OGPXJPENSA-N 1 0 369.465 2.252 50 0 FEAARO CC(C)[NH+]1CCN(c2nc3nn(C)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037360447 539995988 /nfs/dbraw/zinc/99/59/88/539995988.db2.gz WLZRBRDRBAAYAR-UHFFFAOYSA-N 1 0 369.448 2.282 50 0 FEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN(Cc2ccco2)CC1 ZINC000046281989 540251287 /nfs/dbraw/zinc/25/12/87/540251287.db2.gz INBXMAXMMVMZPF-UHFFFAOYSA-N 1 0 368.481 2.165 50 0 FEAARO COc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1 ZINC000049421005 540389427 /nfs/dbraw/zinc/38/94/27/540389427.db2.gz VUXQVBFXRBONCZ-GOSISDBHSA-N 1 0 366.465 2.351 50 0 FEAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000052874190 540497198 /nfs/dbraw/zinc/49/71/98/540497198.db2.gz UIVLJAPJBMWBES-OAHLLOKOSA-N 1 0 358.438 2.338 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000052932606 540501291 /nfs/dbraw/zinc/50/12/91/540501291.db2.gz UWVCGQAWMAJHQT-GOSISDBHSA-N 1 0 369.509 2.420 50 0 FEAARO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000054465424 540591089 /nfs/dbraw/zinc/59/10/89/540591089.db2.gz CSDYLODBCLOOBD-UHFFFAOYSA-N 1 0 364.515 2.250 50 0 FEAARO CCOC(=O)c1c2c(sc1NC(=O)CNCCC[NH+](C)C)CCCC2 ZINC000003164079 209398941 /nfs/dbraw/zinc/39/89/41/209398941.db2.gz CVUUZOKKLBZVBM-UHFFFAOYSA-N 1 0 367.515 2.283 50 0 FEAARO CCNC(=O)NC(=O)CN1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058108434 540829235 /nfs/dbraw/zinc/82/92/35/540829235.db2.gz JTQHDTLCGPXOBN-MOPGFXCFSA-N 1 0 372.513 2.209 50 0 FEAARO C[C@@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058162154 540830358 /nfs/dbraw/zinc/83/03/58/540830358.db2.gz YVFIXMDIGIYEDR-CABCVRRESA-N 1 0 372.444 2.222 50 0 FEAARO C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)[C@H]1C[NH3+] ZINC000237457846 209348415 /nfs/dbraw/zinc/34/84/15/209348415.db2.gz LCWZQKHRUZWPBR-DOMZBBRYSA-N 1 0 364.467 2.177 50 0 FEAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000058325833 540839402 /nfs/dbraw/zinc/83/94/02/540839402.db2.gz FRHCWOVRQSGBTG-MDZRGWNJSA-N 1 0 358.482 2.264 50 0 FEAARO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCc3ccccc3O)cc21 ZINC000058192498 540832686 /nfs/dbraw/zinc/83/26/86/540832686.db2.gz GMGPODWFWONJMQ-UHFFFAOYSA-N 1 0 369.421 2.433 50 0 FEAARO O=C(C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)NCC(=O)N1CCCC1 ZINC000058209170 540833631 /nfs/dbraw/zinc/83/36/31/540833631.db2.gz VVKTVLPQXZXHST-LJQANCHMSA-N 1 0 355.482 2.267 50 0 FEAARO COc1cc(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000058223679 540834485 /nfs/dbraw/zinc/83/44/85/540834485.db2.gz KKDNKWZRHJDCEA-OAHLLOKOSA-N 1 0 364.486 2.492 50 0 FEAARO CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000237025335 209325274 /nfs/dbraw/zinc/32/52/74/209325274.db2.gz AUSDGGNZBXKFSI-GFCCVEGCSA-N 1 0 362.503 2.363 50 0 FEAARO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)([NH+](C)C)C1 ZINC000060410780 541111865 /nfs/dbraw/zinc/11/18/65/541111865.db2.gz UZZLSRPCZVEGNI-GUXCAODWSA-N 1 0 361.486 2.255 50 0 FEAARO CCNc1cc(N2CCN(C(=O)c3ccccc3OC)CC2)nc(C)[nH+]1 ZINC000065361917 541235055 /nfs/dbraw/zinc/23/50/55/541235055.db2.gz PIDLCFAHWOELQQ-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO O[C@@H](CNc1ncnc2sc3c(c21)CC[NH2+]C3)COC1CCCCC1 ZINC000065405834 541235803 /nfs/dbraw/zinc/23/58/03/541235803.db2.gz FNJHOXPFEYEQMH-LBPRGKRZSA-N 1 0 362.499 2.459 50 0 FEAARO Cc1nc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc(=O)[nH]1 ZINC000065404133 541236266 /nfs/dbraw/zinc/23/62/66/541236266.db2.gz QZRYSPNPQSKBGH-UHFFFAOYSA-N 1 0 354.454 2.449 50 0 FEAARO Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065528535 541244046 /nfs/dbraw/zinc/24/40/46/541244046.db2.gz ZMCDNZCQEGMEAT-UHFFFAOYSA-N 1 0 357.439 2.342 50 0 FEAARO COc1ccc(CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2=O)cc1 ZINC000102234285 209233419 /nfs/dbraw/zinc/23/34/19/209233419.db2.gz NOFXSVMICWNMAP-OALUTQOASA-N 1 0 350.418 2.312 50 0 FEAARO [NH3+]C[C@@H]1Cc2cc(-c3cncc(C(=O)N4CCCCC4)n3)cc(F)c2O1 ZINC000067649390 541494866 /nfs/dbraw/zinc/49/48/66/541494866.db2.gz YJEFNQNKCITLLX-AWEZNQCLSA-N 1 0 356.401 2.171 50 0 FEAARO O=C(NCc1nnc2n1CCCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000067700527 541501424 /nfs/dbraw/zinc/50/14/24/541501424.db2.gz AENUBXNQMZMUFI-UHFFFAOYSA-N 1 0 360.506 2.022 50 0 FEAARO Cc1ccnc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)c1 ZINC000067871710 541523378 /nfs/dbraw/zinc/52/33/78/541523378.db2.gz JZZPXCXEXPKHON-QFIPXVFZSA-N 1 0 367.493 2.466 50 0 FEAARO O=C1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000100191250 209210489 /nfs/dbraw/zinc/21/04/89/209210489.db2.gz DVFWECSBTNUNQU-LJQANCHMSA-N 1 0 373.472 2.404 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+](C)CC(C)C)C2=O)c1 ZINC000067982131 541535332 /nfs/dbraw/zinc/53/53/32/541535332.db2.gz DUODZWMGURZCFN-LJQANCHMSA-N 1 0 352.450 2.276 50 0 FEAARO Cn1nc2cccc(NC(=O)NC3CC[NH+](C4CCSCC4)CC3)c2n1 ZINC000097759247 209196192 /nfs/dbraw/zinc/19/61/92/209196192.db2.gz LOITUSCGSTWPQZ-UHFFFAOYSA-N 1 0 374.514 2.450 50 0 FEAARO COCCC(=O)N1CCC2(CC[NH+](Cc3cccc(C)c3)CC2)[C@H](CO)C1 ZINC000097632004 209190061 /nfs/dbraw/zinc/19/00/61/209190061.db2.gz JNXAMWKVTVPDAV-FQEVSTJZSA-N 1 0 374.525 2.455 50 0 FEAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236639104 209193311 /nfs/dbraw/zinc/19/33/11/209193311.db2.gz VSTIIEODRVXQOY-KBPBESRZSA-N 1 0 354.882 2.153 50 0 FEAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000097642080 209190552 /nfs/dbraw/zinc/19/05/52/209190552.db2.gz OTDCBZNAQUDCHX-HNNXBMFYSA-N 1 0 353.426 2.342 50 0 FEAARO CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCC[N@H+](C)CC2)C(C)C)cc1 ZINC000097617770 209188628 /nfs/dbraw/zinc/18/86/28/209188628.db2.gz UDGLXEMWERKVAP-GOSISDBHSA-N 1 0 361.486 2.004 50 0 FEAARO CC[C@@H]1C[N@H+](Cc2cn(CCO)nc2C)CCC(=O)N1Cc1ccccc1 ZINC000071551802 541768619 /nfs/dbraw/zinc/76/86/19/541768619.db2.gz NRBGNJWTDZRCMB-HXUWFJFHSA-N 1 0 370.497 2.197 50 0 FEAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2cc(OC)cc(-n3cnnn3)c2)C1 ZINC000071639712 541768767 /nfs/dbraw/zinc/76/87/67/541768767.db2.gz TVRNRVDNUAWWHB-CQSZACIVSA-N 1 0 353.430 2.056 50 0 FEAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071745361 541769403 /nfs/dbraw/zinc/76/94/03/541769403.db2.gz USDZISCODBUSBP-KRWDZBQOSA-N 1 0 370.497 2.021 50 0 FEAARO Cc1c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cnn1C ZINC000071759876 541771221 /nfs/dbraw/zinc/77/12/21/541771221.db2.gz YEELDAIZOBRHHG-GOSISDBHSA-N 1 0 373.545 2.027 50 0 FEAARO CN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071755157 541771346 /nfs/dbraw/zinc/77/13/46/541771346.db2.gz JFWYTMWSWCFQBB-KRWDZBQOSA-N 1 0 373.497 2.351 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1)N1CCCC1 ZINC000071764286 541771990 /nfs/dbraw/zinc/77/19/90/541771990.db2.gz XMMQRAXOBNQGBQ-MRXNPFEDSA-N 1 0 362.543 2.442 50 0 FEAARO Cc1oc2c(c1C(=O)N1CCC[C@H](N(C)CC[NH+](C)C)C1)C(=O)CCC2 ZINC000072121749 541784542 /nfs/dbraw/zinc/78/45/42/541784542.db2.gz TVFZEPQLMHUJDC-HNNXBMFYSA-N 1 0 361.486 2.205 50 0 FEAARO OC[C@@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)Cc1ccsc1 ZINC000072120837 541784587 /nfs/dbraw/zinc/78/45/87/541784587.db2.gz GLHKPXVMMRPFDJ-CQSZACIVSA-N 1 0 367.478 2.466 50 0 FEAARO CCc1ncc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072143013 541787008 /nfs/dbraw/zinc/78/70/08/541787008.db2.gz QWKLPNBZDQWJGO-IBGZPJMESA-N 1 0 350.466 2.354 50 0 FEAARO Cc1cc(NC(=O)CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000072148067 541789102 /nfs/dbraw/zinc/78/91/02/541789102.db2.gz RCKJLDBRJXCIOI-IOMROCGXSA-N 1 0 366.465 2.484 50 0 FEAARO Cn1cc(CC(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c2ccccc21 ZINC000072150047 541789488 /nfs/dbraw/zinc/78/94/88/541789488.db2.gz BOVTVSDXFFPMGH-SFHVURJKSA-N 1 0 355.482 2.169 50 0 FEAARO CCc1oc(C(=O)N2CCC[C@]3(CNC(=O)O3)C2)cc1C[NH+](CC)CC ZINC000072157465 541791601 /nfs/dbraw/zinc/79/16/01/541791601.db2.gz ALLCNFPUAKZFHX-IBGZPJMESA-N 1 0 363.458 2.398 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1(Cn2cccn2)CC1 ZINC000072161833 541792503 /nfs/dbraw/zinc/79/25/03/541792503.db2.gz JWQGIGJGXBIDSI-IBGZPJMESA-N 1 0 352.482 2.487 50 0 FEAARO Cc1ccccc1NC(=O)N1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072163345 541793389 /nfs/dbraw/zinc/79/33/89/541793389.db2.gz SREPTNAFYVBABJ-UHFFFAOYSA-N 1 0 368.485 2.035 50 0 FEAARO Cc1cc(C)n(-c2ccc3cccc(NC(=O)C[C@@H]4COCC[NH2+]4)c3n2)n1 ZINC000072167855 541794769 /nfs/dbraw/zinc/79/47/69/541794769.db2.gz YEJLQRDNTIUDEX-MRXNPFEDSA-N 1 0 365.437 2.354 50 0 FEAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCN(CCc2ccncc2)CC1 ZINC000072169257 541795042 /nfs/dbraw/zinc/79/50/42/541795042.db2.gz DSVWAEYBKIMFSL-IBGZPJMESA-N 1 0 364.493 2.159 50 0 FEAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)c1 ZINC000072167930 541795266 /nfs/dbraw/zinc/79/52/66/541795266.db2.gz GABJRDKXMFQCMP-LJQANCHMSA-N 1 0 355.438 2.127 50 0 FEAARO C[C@@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)C[NH+]1CCCCC1 ZINC000072309192 541798245 /nfs/dbraw/zinc/79/82/45/541798245.db2.gz KOOOETWQTSPFFB-HNNXBMFYSA-N 1 0 361.490 2.175 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072406974 541805907 /nfs/dbraw/zinc/80/59/07/541805907.db2.gz GUWBGHCUMCREMH-MRXNPFEDSA-N 1 0 364.453 2.006 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cnc(Nc3ccccc3)nc1)CC[NH2+]C2 ZINC000072409786 541806768 /nfs/dbraw/zinc/80/67/68/541806768.db2.gz YMHPWQMXDOJUIW-UHFFFAOYSA-N 1 0 374.448 2.499 50 0 FEAARO COc1coc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)cc1=O ZINC000072411678 541807646 /nfs/dbraw/zinc/80/76/46/541807646.db2.gz OLHYIUDCCIXHJY-UHFFFAOYSA-N 1 0 370.449 2.428 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)cc1 ZINC000072431059 541812370 /nfs/dbraw/zinc/81/23/70/541812370.db2.gz OTQLEFFZOKDERC-UHFFFAOYSA-N 1 0 370.478 2.412 50 0 FEAARO O=C(CCc1nc(Cl)n[nH]1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072433795 541813335 /nfs/dbraw/zinc/81/33/35/541813335.db2.gz FJYYKQPTTKQFFV-UHFFFAOYSA-N 1 0 373.888 2.440 50 0 FEAARO COC(=O)CCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072432962 541813526 /nfs/dbraw/zinc/81/35/26/541813526.db2.gz FTNSWQJSVGUASC-FQEVSTJZSA-N 1 0 359.470 2.239 50 0 FEAARO CC(C)c1cc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CC[NH2+]C3)no1 ZINC000072458909 541816983 /nfs/dbraw/zinc/81/69/83/541816983.db2.gz DQVOXLQKXYPVCM-KRWDZBQOSA-N 1 0 357.458 2.394 50 0 FEAARO Cc1c(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)cnn1C ZINC000072481236 541822613 /nfs/dbraw/zinc/82/26/13/541822613.db2.gz SJAWAHCNNNGUFH-QGZVFWFLSA-N 1 0 371.533 2.223 50 0 FEAARO Cc1ccccc1C(=O)NCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000096968740 209164968 /nfs/dbraw/zinc/16/49/68/209164968.db2.gz RUYQIQUCBDMZOS-UHFFFAOYSA-N 1 0 353.466 2.315 50 0 FEAARO COC(=O)[C@H](Cc1c(C)onc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000096316083 209149969 /nfs/dbraw/zinc/14/99/69/209149969.db2.gz JOTRGYDILFCOFW-QGZVFWFLSA-N 1 0 357.454 2.229 50 0 FEAARO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)C[N@@H+]2C[C@@H]4CC[C@H]2C4)C3)cc1 ZINC000096148609 209123882 /nfs/dbraw/zinc/12/38/82/209123882.db2.gz NKFYVDBNJHSPCN-ZBFHGGJFSA-N 1 0 366.465 2.454 50 0 FEAARO Cc1cc(N2CCCN(c3cc(N4CCCC4)nc(N)n3)CC2)cc[nH+]1 ZINC000096141262 209120895 /nfs/dbraw/zinc/12/08/95/209120895.db2.gz NMXRRDYHKQTBHG-UHFFFAOYSA-N 1 0 353.474 2.079 50 0 FEAARO CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000073491641 541957991 /nfs/dbraw/zinc/95/79/91/541957991.db2.gz VCESHEBUSPDJCF-QGZVFWFLSA-N 1 0 370.501 2.007 50 0 FEAARO C[NH+](C)C1CCN(CCNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000075093840 542150983 /nfs/dbraw/zinc/15/09/83/542150983.db2.gz WUEPNGTYFXGMNM-UHFFFAOYSA-N 1 0 368.319 2.134 50 0 FEAARO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000002633042 206924012 /nfs/dbraw/zinc/92/40/12/206924012.db2.gz RVVFEISEXJUCPQ-KSSFIOAISA-N 1 0 365.433 2.090 50 0 FEAARO COc1ccc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1OC ZINC000004603448 207032022 /nfs/dbraw/zinc/03/20/22/207032022.db2.gz IAHJCSBQILRONF-KRWDZBQOSA-N 1 0 362.470 2.211 50 0 FEAARO [NH2+]=C1Nc2nc3ccccc3c(=O)n2[C@H](c2cccc(Br)c2)N1 ZINC000004786593 207047507 /nfs/dbraw/zinc/04/75/07/207047507.db2.gz OTQAZOFDWDHJNB-CYBMUJFWSA-N 1 0 370.210 2.446 50 0 FEAARO C[NH+](C)CCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000005245659 207089211 /nfs/dbraw/zinc/08/92/11/207089211.db2.gz AWWXWMAKYRORCR-UHFFFAOYSA-N 1 0 358.438 2.119 50 0 FEAARO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2c1 ZINC000007447329 207196808 /nfs/dbraw/zinc/19/68/08/207196808.db2.gz KQBALYISJKLSDH-GOSISDBHSA-N 1 0 369.465 2.004 50 0 FEAARO COc1ccc(C[N@@H+]2CCCN(c3nnnn3-c3ccccc3)CC2)cc1 ZINC000009049321 207254855 /nfs/dbraw/zinc/25/48/55/207254855.db2.gz KFGFUBAXGXKILD-UHFFFAOYSA-N 1 0 364.453 2.383 50 0 FEAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]Cc1ccncc1 ZINC000011754178 207319849 /nfs/dbraw/zinc/31/98/49/207319849.db2.gz WTQAFQZOPKROJZ-LJQANCHMSA-N 1 0 361.392 2.003 50 0 FEAARO O=C(Cn1nc(Cl)ccc1=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011843708 207326387 /nfs/dbraw/zinc/32/63/87/207326387.db2.gz SSBKTFVDDZMSDE-HNNXBMFYSA-N 1 0 366.893 2.058 50 0 FEAARO O=C(CCN1CCCC1=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012052362 207335768 /nfs/dbraw/zinc/33/57/68/207335768.db2.gz OYXFWFQIHFHAJR-IBGZPJMESA-N 1 0 357.498 2.212 50 0 FEAARO CC[C@H](O)CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012281109 207352464 /nfs/dbraw/zinc/35/24/64/207352464.db2.gz MXRSBBFBAZZVCM-KGLIPLIRSA-N 1 0 368.861 2.310 50 0 FEAARO CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000012430215 207374402 /nfs/dbraw/zinc/37/44/02/207374402.db2.gz AEYOYGIULHZNPY-GOSISDBHSA-N 1 0 361.530 2.358 50 0 FEAARO O=C1C[C@@H]([NH2+]Cc2cccc3c2OCO3)CN1C1Cc2ccccc2C1 ZINC000012580129 207396819 /nfs/dbraw/zinc/39/68/19/207396819.db2.gz DQKUPTQVILTIBZ-QGZVFWFLSA-N 1 0 350.418 2.273 50 0 FEAARO CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@@H]([NH2+]CC1CC1)CC2 ZINC000014751320 207528022 /nfs/dbraw/zinc/52/80/22/207528022.db2.gz VMOOFEBNSLVVQU-KRWDZBQOSA-N 1 0 352.482 2.342 50 0 FEAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C1Cc2ccccc2C1 ZINC000032523742 208030284 /nfs/dbraw/zinc/03/02/84/208030284.db2.gz CAOXNLWUAFJKSU-CTNGQTDRSA-N 1 0 367.468 2.272 50 0 FEAARO COc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000032929493 208058914 /nfs/dbraw/zinc/05/89/14/208058914.db2.gz SCLJCTSSJOUUSW-CYBMUJFWSA-N 1 0 356.488 2.022 50 0 FEAARO Cc1ccc(NC(=O)c2nnc(C(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000033060424 208069155 /nfs/dbraw/zinc/06/91/55/208069155.db2.gz KRECVBXYYWIZGS-UHFFFAOYSA-N 1 0 373.482 2.315 50 0 FEAARO CCn1cc(S(=O)(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cn1 ZINC000033312316 208084648 /nfs/dbraw/zinc/08/46/48/208084648.db2.gz LKTGPNROGRUDJU-OAHLLOKOSA-N 1 0 354.520 2.036 50 0 FEAARO COc1cccc(OC)c1OCc1nc(C(=O)NCC[NH+](C)C)cs1 ZINC000036084722 208143763 /nfs/dbraw/zinc/14/37/63/208143763.db2.gz LVLJDCIHMUGIPY-UHFFFAOYSA-N 1 0 365.455 2.031 50 0 FEAARO CN(CC[NH+](C)C)C(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355217 208247823 /nfs/dbraw/zinc/24/78/23/208247823.db2.gz KXXZHFQBDDCJDS-UHFFFAOYSA-N 1 0 350.419 2.168 50 0 FEAARO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)/C=C/c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000041911348 208288558 /nfs/dbraw/zinc/28/85/58/208288558.db2.gz NIOYWSHRRLPNOE-WVOQPWCKSA-N 1 0 360.454 2.433 50 0 FEAARO Cc1nn2c(nc(C[N@H+](C)CCCOc3ccc(F)cc3)cc2=O)s1 ZINC000043273099 208304512 /nfs/dbraw/zinc/30/45/12/208304512.db2.gz KIYCCFXCWMVYAG-UHFFFAOYSA-N 1 0 362.430 2.499 50 0 FEAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000045966893 208343958 /nfs/dbraw/zinc/34/39/58/208343958.db2.gz MUARDFQITGZCJE-UHFFFAOYSA-N 1 0 351.878 2.404 50 0 FEAARO CCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000045966841 208344296 /nfs/dbraw/zinc/34/42/96/208344296.db2.gz TWRNKTYXWGPVHV-UHFFFAOYSA-N 1 0 355.841 2.153 50 0 FEAARO Cc1nn(C)cc1NC(=O)CN1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000077323031 542368041 /nfs/dbraw/zinc/36/80/41/542368041.db2.gz LVLZVJBEAHPHMT-PKOBYXMFSA-N 1 0 355.486 2.005 50 0 FEAARO CC(C)CCN1CC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)OC1=O ZINC000077375287 542374378 /nfs/dbraw/zinc/37/43/78/542374378.db2.gz YQUSNYWBJNEWTF-MRXNPFEDSA-N 1 0 351.491 2.330 50 0 FEAARO Cc1ccc(C[NH+]2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cc1 ZINC000077429047 542381583 /nfs/dbraw/zinc/38/15/83/542381583.db2.gz DSUPJJSDNWGQMC-UHFFFAOYSA-N 1 0 369.513 2.335 50 0 FEAARO Cc1[nH]c2ccc(C(=O)N3CCOC[C@](O)(C[NH+]4CCCC4)C3)cc2c1C ZINC000077358830 542373006 /nfs/dbraw/zinc/37/30/06/542373006.db2.gz QTJVUFXHWOAJOJ-NRFANRHFSA-N 1 0 371.481 2.084 50 0 FEAARO O=C(COc1ccccc1Cl)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077472638 542385961 /nfs/dbraw/zinc/38/59/61/542385961.db2.gz YPCQNHVPEUXEOS-SFHVURJKSA-N 1 0 352.862 2.168 50 0 FEAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)[nH]c1=O ZINC000077486006 542387476 /nfs/dbraw/zinc/38/74/76/542387476.db2.gz CKHLXASVWXUJPF-GFCCVEGCSA-N 1 0 368.462 2.463 50 0 FEAARO CNC(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077489228 542388247 /nfs/dbraw/zinc/38/82/47/542388247.db2.gz CAPQBCLWPOOWGQ-NRFANRHFSA-N 1 0 357.498 2.070 50 0 FEAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccc(C)c(C)c2n1 ZINC000077554390 542397325 /nfs/dbraw/zinc/39/73/25/542397325.db2.gz DFTABUUYJCRVIS-MRXNPFEDSA-N 1 0 368.481 2.087 50 0 FEAARO Cc1cc(=O)c(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH]1 ZINC000071404016 208764055 /nfs/dbraw/zinc/76/40/55/208764055.db2.gz SRIKCLWPQYTDLH-HMXCVIKNSA-N 1 0 363.461 2.386 50 0 FEAARO NC(=O)CN1c2ccccc2[C@]2(CC[N@H+](C/C=C/c3ccccc3)C2)C1=O ZINC000072134586 208805036 /nfs/dbraw/zinc/80/50/36/208805036.db2.gz ZKSTZINGBQWNRN-MECCDNJOSA-N 1 0 361.445 2.175 50 0 FEAARO O[C@@]1(CNc2cc(C(F)(F)F)nc(N3CCCC3)n2)CCC[NH2+]CC1 ZINC000072156196 208813295 /nfs/dbraw/zinc/81/32/95/208813295.db2.gz VWMRFOSHXAARPD-HNNXBMFYSA-N 1 0 359.396 2.012 50 0 FEAARO COC[C@@H](NC(=O)c1cccc(CC2CC[NH2+]CC2)c1)c1ccnn1C ZINC000072162557 208818789 /nfs/dbraw/zinc/81/87/89/208818789.db2.gz BJTIZICYCMSAEB-GOSISDBHSA-N 1 0 356.470 2.080 50 0 FEAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCC(N)=O)CC2)C1 ZINC000091860198 209001212 /nfs/dbraw/zinc/00/12/12/209001212.db2.gz JBCCETXTFOEYHA-GOSISDBHSA-N 1 0 357.498 2.370 50 0 FEAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(-c3ccco3)nc1)CC2 ZINC000091873040 209001910 /nfs/dbraw/zinc/00/19/10/209001910.db2.gz YXEDRQUSFZPPMC-UHFFFAOYSA-N 1 0 364.453 2.439 50 0 FEAARO CN(C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)[C@H]1CC[N@H+](C)C1 ZINC000091933562 209006046 /nfs/dbraw/zinc/00/60/46/209006046.db2.gz XILLUYPFIDQASJ-IIFATDLDSA-N 1 0 370.497 2.426 50 0 FEAARO Cc1nc2ccc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)cc2o1 ZINC000091943754 209006877 /nfs/dbraw/zinc/00/68/77/209006877.db2.gz AOZYYYHMJXFNDO-UHFFFAOYSA-N 1 0 365.437 2.479 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC000091965144 209007740 /nfs/dbraw/zinc/00/77/40/209007740.db2.gz KKSQFTPQRQVTPM-UHFFFAOYSA-N 1 0 366.469 2.112 50 0 FEAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000091988361 209009812 /nfs/dbraw/zinc/00/98/12/209009812.db2.gz WAQMNUJWGVVNAD-UHFFFAOYSA-N 1 0 354.483 2.394 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CSc1ccccn1)CC2 ZINC000092020623 209010861 /nfs/dbraw/zinc/01/08/61/209010861.db2.gz DAYBKBLXIMWOKB-UHFFFAOYSA-N 1 0 371.510 2.293 50 0 FEAARO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@H]1CN1CCOCC1 ZINC000091997776 209011814 /nfs/dbraw/zinc/01/18/14/209011814.db2.gz IGORZUHAFVFQDY-HUUCEWRRSA-N 1 0 359.297 2.366 50 0 FEAARO COCCn1cncc1C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000092045758 209014287 /nfs/dbraw/zinc/01/42/87/209014287.db2.gz QQZFXJPSWCFICA-FQEVSTJZSA-N 1 0 360.502 2.144 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)CCn3nccc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095353768 209024722 /nfs/dbraw/zinc/02/47/22/209024722.db2.gz SKYZCUUOSSATEX-RBUKOAKNSA-N 1 0 356.470 2.146 50 0 FEAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1c(-c3ccccc3)nc3ncccn13)C2 ZINC000095357228 209026176 /nfs/dbraw/zinc/02/61/76/209026176.db2.gz PKVKGTROBPIDSO-DLBZAZTESA-N 1 0 361.449 2.449 50 0 FEAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CC[NH+]2Cc3ccccc3C2)on1 ZINC000095357740 209026302 /nfs/dbraw/zinc/02/63/02/209026302.db2.gz OQDORFISTOAUIG-MJGOQNOKSA-N 1 0 355.438 2.063 50 0 FEAARO O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000095358851 209027773 /nfs/dbraw/zinc/02/77/73/209027773.db2.gz JUBJAMHTWRUDHH-IYBDPMFKSA-N 1 0 350.397 2.432 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)CC1 ZINC000095363893 209028613 /nfs/dbraw/zinc/02/86/13/209028613.db2.gz QMNQUYLRXYVVDP-UHFFFAOYSA-N 1 0 360.502 2.296 50 0 FEAARO C[N@@H+]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000095363839 209029769 /nfs/dbraw/zinc/02/97/69/209029769.db2.gz UQDOJAFQYXLHKM-QGZVFWFLSA-N 1 0 371.815 2.045 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn3ccsc3n1)CC2 ZINC000092061750 209015392 /nfs/dbraw/zinc/01/53/92/209015392.db2.gz XGXHZJUJGNBJBG-UHFFFAOYSA-N 1 0 370.482 2.128 50 0 FEAARO CC[NH+]1CCN(C[C@@H]2CN(c3ncc(Cl)cc3Cl)C[C@@H]2CO)CC1 ZINC000095387652 209044109 /nfs/dbraw/zinc/04/41/09/209044109.db2.gz YEVBNMAOZITJPL-ZIAGYGMSSA-N 1 0 373.328 2.071 50 0 FEAARO Cc1cccc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)C4CCCC4)C[C@H]3C2)n1 ZINC000095390518 209046063 /nfs/dbraw/zinc/04/60/63/209046063.db2.gz TYYJNCUVKWKJSG-WIYYLYMNSA-N 1 0 357.498 2.366 50 0 FEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000095392418 209047053 /nfs/dbraw/zinc/04/70/53/209047053.db2.gz NWKFHZHJFUCJJQ-MRXNPFEDSA-N 1 0 350.894 2.254 50 0 FEAARO CN1CCN([C@@H]2CCCC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405706 209049439 /nfs/dbraw/zinc/04/94/39/209049439.db2.gz WRWJJKZWBICWJV-HXUWFJFHSA-N 1 0 362.562 2.022 50 0 FEAARO C[NH+](C)CCCn1cnc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc21 ZINC000095479473 209058593 /nfs/dbraw/zinc/05/85/93/209058593.db2.gz VNFQEIZBUHSQHD-UHFFFAOYSA-N 1 0 352.442 2.452 50 0 FEAARO Cc1ccccc1C[NH+]1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000095483517 209059492 /nfs/dbraw/zinc/05/94/92/209059492.db2.gz SMPLHRBYHPHNNK-UHFFFAOYSA-N 1 0 354.479 2.382 50 0 FEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1nc[nH]n1 ZINC000095498542 209061252 /nfs/dbraw/zinc/06/12/52/209061252.db2.gz CCDYBGJOSPVDLY-INIZCTEOSA-N 1 0 359.449 2.361 50 0 FEAARO O=C(NCCO)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000095505774 209064598 /nfs/dbraw/zinc/06/45/98/209064598.db2.gz AFRLSLRPLHVFNY-UHFFFAOYSA-N 1 0 368.477 2.495 50 0 FEAARO COC(=O)c1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000095499022 209062066 /nfs/dbraw/zinc/06/20/66/209062066.db2.gz FHHHLUHFBLYERQ-UHFFFAOYSA-N 1 0 361.442 2.110 50 0 FEAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2cc(C)on2)CC1 ZINC000095505248 209065720 /nfs/dbraw/zinc/06/57/20/209065720.db2.gz FWIDGZNJWZELQV-UHFFFAOYSA-N 1 0 372.469 2.379 50 0 FEAARO CCC[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1NS(C)(=O)=O ZINC000082097766 542682999 /nfs/dbraw/zinc/68/29/99/542682999.db2.gz RZMZBBFDYTXEGD-SJLPKXTDSA-N 1 0 362.499 2.022 50 0 FEAARO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4n[nH]nc4c3)CC2)n1 ZINC000082115365 542684518 /nfs/dbraw/zinc/68/45/18/542684518.db2.gz UVSYHHGMGIOKMO-MRXNPFEDSA-N 1 0 364.453 2.446 50 0 FEAARO Cc1cc(N2CCN(C(=O)CCN3CCCCCC3=O)CC2)cc(C)[nH+]1 ZINC000077406165 132184120 /nfs/dbraw/zinc/18/41/20/132184120.db2.gz JDVISBPLBQGWRN-UHFFFAOYSA-N 1 0 358.486 2.140 50 0 FEAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000082097770 132194672 /nfs/dbraw/zinc/19/46/72/132194672.db2.gz TUHHXHUJXXNUOU-LJQANCHMSA-N 1 0 363.461 2.351 50 0 FEAARO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1nc(-c2ccncc2)no1 ZINC000095498368 132212150 /nfs/dbraw/zinc/21/21/50/132212150.db2.gz HFFSPBIWVVSVTC-CYBMUJFWSA-N 1 0 351.414 2.241 50 0 FEAARO CC(C)Cc1cc(C[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)no1 ZINC000096133768 132219773 /nfs/dbraw/zinc/21/97/73/132219773.db2.gz GNFJDHCWAXZDOV-UHFFFAOYSA-N 1 0 355.446 2.298 50 0 FEAARO Cc1cc2c(ncnc2N2CCC([NH2+]Cc3cc(=O)[nH]c(C)n3)CC2)s1 ZINC000096136385 132219997 /nfs/dbraw/zinc/21/99/97/132219997.db2.gz SIHVKSWJTDHRNL-UHFFFAOYSA-N 1 0 370.482 2.150 50 0 FEAARO Cc1nccn1CCC1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(N)n2)CC1 ZINC000223705394 132280031 /nfs/dbraw/zinc/28/00/31/132280031.db2.gz ZUMJEGNBNIUEPE-IYBDPMFKSA-N 1 0 355.490 2.075 50 0 FEAARO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000089382628 542762678 /nfs/dbraw/zinc/76/26/78/542762678.db2.gz JJSWIOCBURLECX-MRXNPFEDSA-N 1 0 360.458 2.049 50 0 FEAARO CC(=O)c1cc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)cs1 ZINC000091326448 542805239 /nfs/dbraw/zinc/80/52/39/542805239.db2.gz JXYHGZXJTPHHBU-MSOLQXFVSA-N 1 0 366.527 2.244 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1CO ZINC000091462172 542809510 /nfs/dbraw/zinc/80/95/10/542809510.db2.gz MNVMBMSDXKBNOO-RTBURBONSA-N 1 0 374.525 2.144 50 0 FEAARO COc1cc2c(cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]3CCCCC3)C1)CCC2 ZINC000091486753 542810856 /nfs/dbraw/zinc/81/08/56/542810856.db2.gz GDXKJFNESNCOBD-RTBURBONSA-N 1 0 372.509 2.350 50 0 FEAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(N(C)C)nc1)CC2 ZINC000091504973 542811090 /nfs/dbraw/zinc/81/10/90/542811090.db2.gz CQUONEALUGXXKM-UHFFFAOYSA-N 1 0 374.529 2.389 50 0 FEAARO CN1CCC[N@H+](C[C@@H]2CN(Cc3cccc(Cl)c3F)C[C@@H]2CO)CC1 ZINC000091550549 542812296 /nfs/dbraw/zinc/81/22/96/542812296.db2.gz DTMZJYMRORNSIW-IAGOWNOFSA-N 1 0 369.912 2.157 50 0 FEAARO CCN1CC2(CCC1=O)CC[NH+](C[C@@H]1Cc3c(nc(C)nc3C)O1)CC2 ZINC000091593026 542814573 /nfs/dbraw/zinc/81/45/73/542814573.db2.gz GSNQCWRUHPLHKC-INIZCTEOSA-N 1 0 358.486 2.121 50 0 FEAARO COc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnccn1)C2 ZINC000091680391 542819607 /nfs/dbraw/zinc/81/96/07/542819607.db2.gz XUERDEYRPKHOHF-NVXWUHKLSA-N 1 0 352.438 2.222 50 0 FEAARO CCn1nc(CC(C)C)cc1C(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000091746212 542824013 /nfs/dbraw/zinc/82/40/13/542824013.db2.gz GXWZXCGANXDAQC-GOSISDBHSA-N 1 0 362.518 2.428 50 0 FEAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc3nonc32)C1 ZINC000091746939 542824027 /nfs/dbraw/zinc/82/40/27/542824027.db2.gz MGZBXTULTMDFCF-GDBMZVCRSA-N 1 0 363.421 2.354 50 0 FEAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN(C)C(N)=O)CC2)C1 ZINC000091644433 542818078 /nfs/dbraw/zinc/81/80/78/542818078.db2.gz FVSOGCMKANCWAV-GOSISDBHSA-N 1 0 372.513 2.115 50 0 FEAARO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000093337589 542926680 /nfs/dbraw/zinc/92/66/80/542926680.db2.gz WSWKOPTYOAWJRG-GFCCVEGCSA-N 1 0 356.850 2.071 50 0 FEAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Cn3ccnc3)C2)CC1 ZINC000055060726 136125893 /nfs/dbraw/zinc/12/58/93/136125893.db2.gz RGSWXCGIULFGMQ-LJQANCHMSA-N 1 0 367.497 2.005 50 0 FEAARO CCc1cc(N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n2nccc2n1 ZINC000072162965 136143375 /nfs/dbraw/zinc/14/33/75/136143375.db2.gz OOKYEHQLYBJZRL-MRXNPFEDSA-N 1 0 356.518 2.144 50 0 FEAARO COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)C3(C2)CCOCC3)cc1F ZINC000097097298 543004792 /nfs/dbraw/zinc/00/47/92/543004792.db2.gz XKDPNGMKTLZLFB-OAHLLOKOSA-N 1 0 350.434 2.265 50 0 FEAARO CCOc1cc(C[NH2+]C[C@H]2CN(C)CCO2)ccc1OCC(F)(F)F ZINC000105471075 543174367 /nfs/dbraw/zinc/17/43/67/543174367.db2.gz LVACRRFXKQMCPJ-AWEZNQCLSA-N 1 0 362.392 2.447 50 0 FEAARO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000105778096 543182550 /nfs/dbraw/zinc/18/25/50/543182550.db2.gz IBWHHZNUAPBVIN-DLBZAZTESA-N 1 0 369.303 2.279 50 0 FEAARO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000107534678 543272297 /nfs/dbraw/zinc/27/22/97/543272297.db2.gz RVUDBEBEBYSRMS-HTBDUDNFSA-N 1 0 361.530 2.355 50 0 FEAARO O=C(C1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1)N1CCOCC1 ZINC000095525095 209075965 /nfs/dbraw/zinc/07/59/65/209075965.db2.gz KSPJTQJHTRUEAO-KRWDZBQOSA-N 1 0 358.482 2.199 50 0 FEAARO COCC[N@@H+]1CCC[C@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095526881 209076505 /nfs/dbraw/zinc/07/65/05/209076505.db2.gz XXEDKBSQFBNCQO-KRWDZBQOSA-N 1 0 368.481 2.320 50 0 FEAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000123609476 543772571 /nfs/dbraw/zinc/77/25/71/543772571.db2.gz RGMOLRZEGPRXGU-QMMMGPOBSA-N 1 0 373.194 2.190 50 0 FEAARO C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127087984 543972218 /nfs/dbraw/zinc/97/22/18/543972218.db2.gz OJVPBHCHAYBZEO-CSBKYJRVSA-N 1 0 368.424 2.410 50 0 FEAARO Nc1cccc(-c2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000426503096 263609988 /nfs/dbraw/zinc/60/99/88/263609988.db2.gz GMRBLPMLTKGIOF-GOSISDBHSA-N 1 0 368.481 2.298 50 0 FEAARO CCC(=O)c1cccc(-c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3O)cc2)c1 ZINC000426698196 263659862 /nfs/dbraw/zinc/65/98/62/263659862.db2.gz IAVSHEYVHRYOCC-UYAOXDASSA-N 1 0 352.434 2.399 50 0 FEAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1C(F)(F)F ZINC000192218979 328307285 /nfs/dbraw/zinc/30/72/85/328307285.db2.gz HVUCLLAUEGPIAC-GFCCVEGCSA-N 1 0 357.376 2.331 50 0 FEAARO Cn1nccc1CCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000129467517 326541116 /nfs/dbraw/zinc/54/11/16/326541116.db2.gz FBHMOFHZRMGKFR-SFHVURJKSA-N 1 0 368.481 2.457 50 0 FEAARO CN(C)CC[NH+]1CCC(CNC(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000172923893 327226098 /nfs/dbraw/zinc/22/60/98/327226098.db2.gz JFZKIGCMOKKKMG-UHFFFAOYSA-N 1 0 373.526 2.209 50 0 FEAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000262171322 328847883 /nfs/dbraw/zinc/84/78/83/328847883.db2.gz ATFJMLAJHMURQG-KOGRVDFBSA-N 1 0 363.546 2.240 50 0 FEAARO CC(C)C[C@H]([NH2+][C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000242263432 519397977 /nfs/dbraw/zinc/39/79/77/519397977.db2.gz XZCQBYIDHKADIL-NJAFHUGGSA-N 1 0 366.527 2.397 50 0 FEAARO CCOc1ccc(N2C(=O)C[C@H](NCC[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000020176550 521037023 /nfs/dbraw/zinc/03/70/23/521037023.db2.gz YZKGQBZYRBGZEF-SFHVURJKSA-N 1 0 359.470 2.039 50 0 FEAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCC(=O)N1CCc3ccccc3C1)C2 ZINC000091656951 521701334 /nfs/dbraw/zinc/70/13/34/521701334.db2.gz IFAVNJJNYBOFHW-VQTJNVASSA-N 1 0 369.509 2.294 50 0 FEAARO C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)c2cccc3ccccc32)C[C@@H]1CO ZINC000091677874 521849985 /nfs/dbraw/zinc/84/99/85/521849985.db2.gz KCNZDKRBPGURHW-QZTJIDSGSA-N 1 0 368.477 2.431 50 0 FEAARO CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091655986 522582903 /nfs/dbraw/zinc/58/29/03/522582903.db2.gz YREPWZXJLDILOR-RBUKOAKNSA-N 1 0 367.497 2.354 50 0 FEAARO CCn1cc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)cn1 ZINC000244795873 523373621 /nfs/dbraw/zinc/37/36/21/523373621.db2.gz ROWHRZGCFALQSH-WGSAOQKQSA-N 1 0 374.529 2.411 50 0 FEAARO CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000179073503 523960099 /nfs/dbraw/zinc/96/00/99/523960099.db2.gz BFTRRGJALAQURP-VIFPVBQESA-N 1 0 373.766 2.373 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3cc(-c4ccccn4)n[nH]3)C[C@@H]2[NH3+])c1 ZINC000091412199 524179163 /nfs/dbraw/zinc/17/91/63/524179163.db2.gz VJUQNCSZXUIRKE-CVEARBPZSA-N 1 0 363.421 2.047 50 0 FEAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000082106914 524273646 /nfs/dbraw/zinc/27/36/46/524273646.db2.gz BAMXWDLGEBHQAS-HXUWFJFHSA-N 1 0 364.461 2.421 50 0 FEAARO C[C@@H]1CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC000153960580 524887264 /nfs/dbraw/zinc/88/72/64/524887264.db2.gz UWRHWNFIOUKZTA-NXEZZACHSA-N 1 0 371.338 2.248 50 0 FEAARO Cc1n[nH]c(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c1C ZINC000091380900 525472524 /nfs/dbraw/zinc/47/25/24/525472524.db2.gz CWHLPJPVTGJHCA-RBUKOAKNSA-N 1 0 367.497 2.477 50 0 FEAARO O=C(C[NH+]1CCCC1)N1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000091625535 526732384 /nfs/dbraw/zinc/73/23/84/526732384.db2.gz HHWKSIAYOCPJKS-UHFFFAOYSA-N 1 0 353.470 2.128 50 0 FEAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](O)C[NH+](C)C ZINC000089526034 526844322 /nfs/dbraw/zinc/84/43/22/526844322.db2.gz VUFZYGRWNYNORV-SNVBAGLBSA-N 1 0 355.797 2.095 50 0 FEAARO OCCOc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091636635 527557936 /nfs/dbraw/zinc/55/79/36/527557936.db2.gz DFNCAPJAMNGANB-YLJYHZDGSA-N 1 0 360.498 2.133 50 0 FEAARO OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CC[N@@H+]1C1CCCC1 ZINC000020996570 527573004 /nfs/dbraw/zinc/57/30/04/527573004.db2.gz GLOYLCYMNAZILV-IBGZPJMESA-N 1 0 355.486 2.079 50 0 FEAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071760242 535444732 /nfs/dbraw/zinc/44/47/32/535444732.db2.gz VGRYNCLGXFLZHM-QGZVFWFLSA-N 1 0 371.529 2.389 50 0 FEAARO CCc1c(C)nc(C)nc1N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072425819 536069679 /nfs/dbraw/zinc/06/96/79/536069679.db2.gz SJHSTVWZPFIREA-NRFANRHFSA-N 1 0 373.545 2.426 50 0 FEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n2nc(C)c(C)c2n1 ZINC000072421845 536144030 /nfs/dbraw/zinc/14/40/30/536144030.db2.gz IJPRPVPUYAUAPL-SFHVURJKSA-N 1 0 357.502 2.334 50 0 FEAARO C[NH+]1CCN(c2cc(-c3ccccc3OC(F)(F)F)nc(N)n2)CC1 ZINC000097522113 536417237 /nfs/dbraw/zinc/41/72/37/536417237.db2.gz PDBKDADSUSMKOI-UHFFFAOYSA-N 1 0 353.348 2.376 50 0 FEAARO CCOc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1C(C)C ZINC000216110894 548676163 /nfs/dbraw/zinc/67/61/63/548676163.db2.gz OSXARLWHZKVABO-PMACEKPBSA-N 1 0 362.514 2.394 50 0 FEAARO O=C(NCc1ccccc1-n1cncn1)C1CC[NH+](Cc2ccco2)CC1 ZINC000219194210 548693100 /nfs/dbraw/zinc/69/31/00/548693100.db2.gz HQNVVODRKUMOHK-UHFFFAOYSA-N 1 0 365.437 2.389 50 0 FEAARO CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221739547 548706078 /nfs/dbraw/zinc/70/60/78/548706078.db2.gz UNXAYSLWNXFQQD-OLZOCXBDSA-N 1 0 359.396 2.214 50 0 FEAARO [NH3+][C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000222459935 548708948 /nfs/dbraw/zinc/70/89/48/548708948.db2.gz SAULJJRVZMLPFW-ZVEHZALQSA-N 1 0 360.417 2.141 50 0 FEAARO Cn1nccc1[C@H](O)c1cc2n(n1)CCC[N@H+](CCc1ccccc1)C2 ZINC000222686522 548710695 /nfs/dbraw/zinc/71/06/95/548710695.db2.gz WSNGENOLZJGQOA-HXUWFJFHSA-N 1 0 351.454 2.147 50 0 FEAARO Cc1ccc(OC(C)(C)C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)cc1 ZINC000222776935 548712328 /nfs/dbraw/zinc/71/23/28/548712328.db2.gz TVBOPYPTJMKLAJ-QZTJIDSGSA-N 1 0 364.486 2.004 50 0 FEAARO C[C@@H]1CN(C[C@H]2CCCN2CC(=O)NCc2ccccc2F)C[C@H](C)O1 ZINC000229690784 548756966 /nfs/dbraw/zinc/75/69/66/548756966.db2.gz FXPWDYIXZKEGJR-SOLBZPMBSA-N 1 0 363.477 2.016 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)CCCc1nc(-c2ccccc2C)no1 ZINC000244647002 548892052 /nfs/dbraw/zinc/89/20/52/548892052.db2.gz GTGQGPDQTNHDNC-IRXDYDNUSA-N 1 0 372.469 2.203 50 0 FEAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000244708106 548892871 /nfs/dbraw/zinc/89/28/71/548892871.db2.gz KNOHUIWKXURURS-INIZCTEOSA-N 1 0 360.433 2.123 50 0 FEAARO Cc1cc(C)c(NC(=O)CCN2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000244723745 548893784 /nfs/dbraw/zinc/89/37/84/548893784.db2.gz MGPZHCQSTNMJOA-KXBFYZLASA-N 1 0 365.905 2.332 50 0 FEAARO Cc1ccc2[nH]c(SCC(=O)NCC3([NH+](C)C)CCOCC3)nc2c1 ZINC000244723733 548893800 /nfs/dbraw/zinc/89/38/00/548893800.db2.gz MGISVQZLSHPGHE-UHFFFAOYSA-N 1 0 362.499 2.190 50 0 FEAARO CCC1=NO[C@H](C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)C1 ZINC000244795953 548896279 /nfs/dbraw/zinc/89/62/79/548896279.db2.gz RQGLQISTKUAHCB-SFHVURJKSA-N 1 0 353.470 2.476 50 0 FEAARO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245423027 548914717 /nfs/dbraw/zinc/91/47/17/548914717.db2.gz JDSWCGYKHWNKDT-LMMKCTJWSA-N 1 0 365.481 2.207 50 0 FEAARO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@H]1COc2ccccc21 ZINC000249104126 549551819 /nfs/dbraw/zinc/55/18/19/549551819.db2.gz KWFYERSFSOOWOD-HLLBOEOZSA-N 1 0 361.486 2.038 50 0 FEAARO CC(C)CC(=O)N1CCC(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000252498208 549670112 /nfs/dbraw/zinc/67/01/12/549670112.db2.gz QWTXQWCGNOQSMW-UHFFFAOYSA-N 1 0 357.498 2.142 50 0 FEAARO COc1ccc(C)cc1NC(=O)CC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000252508474 549671044 /nfs/dbraw/zinc/67/10/44/549671044.db2.gz XNUCHFHFZUDNNV-UHFFFAOYSA-N 1 0 369.469 2.335 50 0 FEAARO C[N@@H+](CCN1CCO[C@H]2CCCC[C@H]21)CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000252512066 549672315 /nfs/dbraw/zinc/67/23/15/549672315.db2.gz MARNIHIDPVBCJS-UJOPUZHASA-N 1 0 365.562 2.205 50 0 FEAARO COC(=O)C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2OC)CC1 ZINC000253425193 549688312 /nfs/dbraw/zinc/68/83/12/549688312.db2.gz BHJAPFRBJFHBOX-INIZCTEOSA-N 1 0 362.470 2.319 50 0 FEAARO COC(=O)C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000253426726 549688755 /nfs/dbraw/zinc/68/87/55/549688755.db2.gz ILHXAOISKAWNBE-OAHLLOKOSA-N 1 0 350.434 2.416 50 0 FEAARO CC[C@H](C)[C@@H](C(=O)NCCn1ccnc1C)N1Cc2ccccc2C1=O ZINC000257199557 549716430 /nfs/dbraw/zinc/71/64/30/549716430.db2.gz WPNBXEOFONIFSQ-KSSFIOAISA-N 1 0 354.454 2.378 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262640909 549834579 /nfs/dbraw/zinc/83/45/79/549834579.db2.gz ZNGVVYXIMCBYNH-XBFCOCLRSA-N 1 0 360.376 2.031 50 0 FEAARO CN(C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1)S(C)(=O)=O ZINC000285744774 551804438 /nfs/dbraw/zinc/80/44/38/551804438.db2.gz WDVHXLABXOKURQ-OAHLLOKOSA-N 1 0 363.483 2.445 50 0 FEAARO O=C(c1cccc(N2CCCNC2=O)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290067392 552422527 /nfs/dbraw/zinc/42/25/27/552422527.db2.gz IANMZEZENUBRDF-KRWDZBQOSA-N 1 0 356.470 2.068 50 0 FEAARO C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)CC[N@@H+](C2CC2)C1 ZINC000297686841 553324805 /nfs/dbraw/zinc/32/48/05/553324805.db2.gz XKLCEZVQCIAUGG-WDYCEAGBSA-N 1 0 358.486 2.427 50 0 FEAARO O=C1CCCN1CCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC000299763186 553611642 /nfs/dbraw/zinc/61/16/42/553611642.db2.gz ZVOZGVNJJDCAHV-QGZVFWFLSA-N 1 0 361.461 2.309 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000299762456 553611763 /nfs/dbraw/zinc/61/17/63/553611763.db2.gz WUTFIDRYOVZDQC-ZDUSSCGKSA-N 1 0 350.850 2.332 50 0 FEAARO Cc1ccccc1[C@H](NC(=O)CN(C)C1CC[NH2+]CC1)c1ccncc1 ZINC000299767042 553612644 /nfs/dbraw/zinc/61/26/44/553612644.db2.gz BFUGIJASKWAGJT-OAQYLSRUSA-N 1 0 352.482 2.279 50 0 FEAARO Cc1ccc([C@H](NC(=O)CN(C)C2CC[NH2+]CC2)c2ccncc2)cc1 ZINC000299781907 553613936 /nfs/dbraw/zinc/61/39/36/553613936.db2.gz FGDKHMWVJNVBEG-NRFANRHFSA-N 1 0 352.482 2.279 50 0 FEAARO Cc1ccccc1CN1CCN(C(=O)CC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000299779705 553614021 /nfs/dbraw/zinc/61/40/21/553614021.db2.gz RLPARHKFEOGOPT-IBGZPJMESA-N 1 0 359.514 2.140 50 0 FEAARO CO[C@]12CC[N@H+](CCc3nccn3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299783009 553614379 /nfs/dbraw/zinc/61/43/79/553614379.db2.gz WJZJSICKINWOHM-ABSDTBQOSA-N 1 0 356.470 2.449 50 0 FEAARO C[C@H]1CN(C(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)CC[NH2+]1 ZINC000299782619 553614564 /nfs/dbraw/zinc/61/45/64/553614564.db2.gz QAUOLWWMLXPKHW-AWEZNQCLSA-N 1 0 358.463 2.191 50 0 FEAARO CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000299793496 553615216 /nfs/dbraw/zinc/61/52/16/553615216.db2.gz HVWPUNTUBMLCGS-GOSISDBHSA-N 1 0 361.486 2.339 50 0 FEAARO COc1ccc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)cc1OCCC[NH3+] ZINC000299791509 553615387 /nfs/dbraw/zinc/61/53/87/553615387.db2.gz GHJKMLIVYJRIJP-MRXNPFEDSA-N 1 0 369.421 2.236 50 0 FEAARO Cc1ccccc1[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1ccncc1 ZINC000299799915 553616294 /nfs/dbraw/zinc/61/62/94/553616294.db2.gz VZHGDOXTIZXPGP-NRFANRHFSA-N 1 0 352.482 2.233 50 0 FEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)NCCN1CCc2ccccc2C1 ZINC000426496606 559735963 /nfs/dbraw/zinc/73/59/63/559735963.db2.gz AUKJNUBVNRJJJC-UHFFFAOYSA-N 1 0 371.456 2.341 50 0 FEAARO O=C1CCCN1c1ccc(C[N@H+]2CCC[C@H](c3ccn(CCO)n3)C2)cc1 ZINC000426504469 559736131 /nfs/dbraw/zinc/73/61/31/559736131.db2.gz KEZJERDTZKBTCT-SFHVURJKSA-N 1 0 368.481 2.382 50 0 FEAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000426518812 559736720 /nfs/dbraw/zinc/73/67/20/559736720.db2.gz PEDODNFXGQCWFL-UHFFFAOYSA-N 1 0 362.449 2.153 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c(=O)[nH]1 ZINC000426526485 559736758 /nfs/dbraw/zinc/73/67/58/559736758.db2.gz SVWVKOTXRWZWIY-HXUWFJFHSA-N 1 0 358.486 2.066 50 0 FEAARO COc1cccc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2)n1 ZINC000426525864 559736873 /nfs/dbraw/zinc/73/68/73/559736873.db2.gz IHLWTFDVUZBXOL-SFHVURJKSA-N 1 0 369.465 2.334 50 0 FEAARO Cc1ccsc1CN(CC[NH+](C)C)c1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426535134 559737079 /nfs/dbraw/zinc/73/70/79/559737079.db2.gz KYDKXVVKXAYYPD-CQSZACIVSA-N 1 0 361.515 2.501 50 0 FEAARO COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H](C[NH+](C)C)[C@H](O)C1 ZINC000426689832 559740296 /nfs/dbraw/zinc/74/02/96/559740296.db2.gz HDZSWVSGHPZVGB-QFBILLFUSA-N 1 0 371.481 2.302 50 0 FEAARO CC(C)Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc(N)n1 ZINC000426734029 559741159 /nfs/dbraw/zinc/74/11/59/559741159.db2.gz ONCFFOCHGDHOCO-OAQYLSRUSA-N 1 0 371.529 2.595 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccccn3)[C@H]1C[C@H](NC(=O)c1cc(C)on1)CC2 ZINC000534589578 562537552 /nfs/dbraw/zinc/53/75/52/562537552.db2.gz GIBJTWYQQUVBFD-MOXGXCLJSA-N 1 0 370.453 2.320 50 0 FEAARO O=C(NCCOCc1ccccc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534671359 562539913 /nfs/dbraw/zinc/53/99/13/562539913.db2.gz JBEHRMDFVJDPON-UHFFFAOYSA-N 1 0 363.527 2.426 50 0 FEAARO O=C(NC[C@H](c1ccccc1F)[NH+]1CCCC1)N1CCc2[nH]cnc2C1 ZINC000534669425 562539941 /nfs/dbraw/zinc/53/99/41/562539941.db2.gz SNXCCNFAMBDVSW-GOSISDBHSA-N 1 0 357.433 2.454 50 0 FEAARO O=C(CCCc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O ZINC000426475315 570607200 /nfs/dbraw/zinc/60/72/00/570607200.db2.gz BJJQFJPCJNCODA-WOJBJXKFSA-N 1 0 371.456 2.295 50 0 FEAARO C[C@H](NS(=O)(=O)c1sccc1Br)[C@H]1CCCC[NH2+]1 ZINC000583652138 570812496 /nfs/dbraw/zinc/81/24/96/570812496.db2.gz ZGSUHQPQTQSDIP-WCBMZHEXSA-N 1 0 353.307 2.320 50 0 FEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000048356224 570949961 /nfs/dbraw/zinc/94/99/61/570949961.db2.gz SCDMVJNVOSDYMK-QGZVFWFLSA-N 1 0 373.376 2.251 50 0 FEAARO Cc1cc(N)[nH+]c(C)c1-c1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000426429908 571138030 /nfs/dbraw/zinc/13/80/30/571138030.db2.gz ZXEZYQBUZJIVLK-CYBMUJFWSA-N 1 0 350.426 2.358 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCc1c[nH]c2ccccc12 ZINC000426358264 571214645 /nfs/dbraw/zinc/21/46/45/571214645.db2.gz HSMKELUJMDYQID-INIZCTEOSA-N 1 0 351.454 2.190 50 0 FEAARO COc1ccc(C(=O)NCc2cc3c(cc2OC)CCC3)cc1OCC[NH3+] ZINC000426358293 571214662 /nfs/dbraw/zinc/21/46/62/571214662.db2.gz JYWKTPYVBZMRLA-UHFFFAOYSA-N 1 0 370.449 2.460 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1csc(-c2ncccn2)n1 ZINC000426379761 571216928 /nfs/dbraw/zinc/21/69/28/571216928.db2.gz OMFQKRCMEOJOPD-UHFFFAOYSA-N 1 0 373.413 2.007 50 0 FEAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000426388586 571218718 /nfs/dbraw/zinc/21/87/18/571218718.db2.gz VMPPLZVMSFJQAZ-MRXNPFEDSA-N 1 0 367.453 2.038 50 0 FEAARO Cc1ccc2[nH]c(CN(C)C(=O)Cn3nccc3[C@H]3CCC[NH2+]C3)nc2c1 ZINC000426399228 571219977 /nfs/dbraw/zinc/21/99/77/571219977.db2.gz NADCYMVQPJYCHB-HNNXBMFYSA-N 1 0 366.469 2.193 50 0 FEAARO CCC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2nc(-c3ccncc3)no2)C1 ZINC000426474246 571227248 /nfs/dbraw/zinc/22/72/48/571227248.db2.gz KLFMQQBRVZXABU-OAHLLOKOSA-N 1 0 358.446 2.147 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)Nc1nnc(-c2ccccc2)s1 ZINC000023128806 670046605 /nfs/dbraw/zinc/04/66/05/670046605.db2.gz YJHNIDCSBDPDPN-ZDUSSCGKSA-N 1 0 361.471 2.031 50 0 FEAARO COC[C@H]1C[N@H+](C)CC12CCN(S(=O)(=O)c1cc(F)ccc1C)CC2 ZINC000169782650 672322194 /nfs/dbraw/zinc/32/21/94/672322194.db2.gz SPOMMDPTBYKNLY-OAHLLOKOSA-N 1 0 370.490 2.113 50 0 FEAARO COC[C@H](CC(C)(C)C)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000624311836 676572881 /nfs/dbraw/zinc/57/28/81/676572881.db2.gz BWZMBTYDWGUMSF-INIZCTEOSA-N 1 0 355.523 2.334 50 0 FEAARO COCc1csc(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](OC)C2)n1 ZINC000626412194 676705024 /nfs/dbraw/zinc/70/50/24/676705024.db2.gz QAPDKSBCVNGTHY-MJBXVCDLSA-N 1 0 354.476 2.053 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1CCN(C)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000952962699 681792829 /nfs/dbraw/zinc/79/28/29/681792829.db2.gz FMDHFTPQHADOQT-GFCCVEGCSA-N 1 0 353.444 2.028 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)COc2ccccc21 ZINC000006942055 539442103 /nfs/dbraw/zinc/44/21/03/539442103.db2.gz IBKLHKGCDJZTOJ-INIZCTEOSA-N 1 0 359.470 2.183 50 0 FEAARO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000012072513 539541511 /nfs/dbraw/zinc/54/15/11/539541511.db2.gz POPUVSRHKWHOBI-QGZVFWFLSA-N 1 0 371.485 2.189 50 0 FEAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]CCCn3cccn3)CC2)cc1 ZINC000012218673 539549520 /nfs/dbraw/zinc/54/95/20/539549520.db2.gz ZWRQXOFLJVGREB-UHFFFAOYSA-N 1 0 355.486 2.234 50 0 FEAARO CN(C)S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012595141 539566529 /nfs/dbraw/zinc/56/65/29/539566529.db2.gz IAHZDGGXOWRWNE-CQSZACIVSA-N 1 0 351.472 2.041 50 0 FEAARO O=C(C[C@H]1Oc2ccccc2NC1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012974481 539580622 /nfs/dbraw/zinc/58/06/22/539580622.db2.gz WCWCOAFGXMEQGC-MAUKXSAKSA-N 1 0 369.421 2.323 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3noc4ccccc34)cn2)CC1 ZINC000012995186 539581426 /nfs/dbraw/zinc/58/14/26/539581426.db2.gz BTBHMXMOTHKGQU-UHFFFAOYSA-N 1 0 351.410 2.156 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013056204 539583510 /nfs/dbraw/zinc/58/35/10/539583510.db2.gz IOMDUXRNTWQOQX-OKILXGFUSA-N 1 0 367.515 2.162 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000013572952 539588654 /nfs/dbraw/zinc/58/86/54/539588654.db2.gz ZOXZTVVYASKWLB-YRDWMISXSA-N 1 0 369.465 2.170 50 0 FEAARO CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000014096832 539595233 /nfs/dbraw/zinc/59/52/33/539595233.db2.gz KUNBQLCNVVJQMG-UHFFFAOYSA-N 1 0 353.307 2.273 50 0 FEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000014102465 539595263 /nfs/dbraw/zinc/59/52/63/539595263.db2.gz DDSQSHUCZLHDNA-UHFFFAOYSA-N 1 0 359.289 2.354 50 0 FEAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 ZINC000016606316 539634726 /nfs/dbraw/zinc/63/47/26/539634726.db2.gz FVZDPQFTMVDSMX-UHFFFAOYSA-N 1 0 359.514 2.046 50 0 FEAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000020535554 539675875 /nfs/dbraw/zinc/67/58/75/539675875.db2.gz DFMZRDATZQOKLR-HXUWFJFHSA-N 1 0 372.469 2.449 50 0 FEAARO Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCCN3CCOCC3)c12 ZINC000020547183 539675959 /nfs/dbraw/zinc/67/59/59/539675959.db2.gz JYUZOBRQCSHQHY-UHFFFAOYSA-N 1 0 352.442 2.176 50 0 FEAARO CC(C)(C)CN1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000020118790 539672744 /nfs/dbraw/zinc/67/27/44/539672744.db2.gz YVWVXLQTJDFDGJ-OAQYLSRUSA-N 1 0 359.514 2.208 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@H](C)O1 ZINC000020411636 539674576 /nfs/dbraw/zinc/67/45/76/539674576.db2.gz AGRFRTKLCPEWTJ-XHJFGODYSA-N 1 0 363.498 2.381 50 0 FEAARO Cc1nc2ncccn2c1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000020907948 539678510 /nfs/dbraw/zinc/67/85/10/539678510.db2.gz KYHFYESNIQNDJZ-HXUWFJFHSA-N 1 0 353.470 2.376 50 0 FEAARO NC(=O)CC[NH+]1CCN(Cc2c[nH]nc2-c2cccc3ccccc32)CC1 ZINC000022926551 539702612 /nfs/dbraw/zinc/70/26/12/539702612.db2.gz NCJBDMOLNTXGGN-UHFFFAOYSA-N 1 0 363.465 2.223 50 0 FEAARO CC[NH+]1CCN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022466293 539695992 /nfs/dbraw/zinc/69/59/92/539695992.db2.gz VKZRATRVJOEJLV-IBGZPJMESA-N 1 0 364.530 2.378 50 0 FEAARO COc1cccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022765572 539699040 /nfs/dbraw/zinc/69/90/40/539699040.db2.gz NOHDHRWXDWVCNI-SFHVURJKSA-N 1 0 359.495 2.475 50 0 FEAARO Cn1c2ccccc2n(CN2CC[NH+](CCc3ccccc3)CC2)c1=O ZINC000023249042 539709998 /nfs/dbraw/zinc/70/99/98/539709998.db2.gz FEICUGPKJYLPFL-UHFFFAOYSA-N 1 0 350.466 2.158 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000025134319 539749434 /nfs/dbraw/zinc/74/94/34/539749434.db2.gz SGMKHPSGMVPLIO-UHFFFAOYSA-N 1 0 362.437 2.057 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccsc1 ZINC000025329721 539755663 /nfs/dbraw/zinc/75/56/63/539755663.db2.gz JVIVDITXIXIKMI-MRXNPFEDSA-N 1 0 366.508 2.325 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccsc1 ZINC000025331532 539756146 /nfs/dbraw/zinc/75/61/46/539756146.db2.gz SBQOAMMUDUSFKR-OAHLLOKOSA-N 1 0 367.496 2.152 50 0 FEAARO CCO[C@@H]1C[C@@](O)(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000225602998 209822556 /nfs/dbraw/zinc/82/25/56/209822556.db2.gz BVUITQWKHSYCTG-SOIKWTOOSA-N 1 0 374.481 2.217 50 0 FEAARO Cc1sc2ncnc(NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2c1C ZINC000029831575 539865516 /nfs/dbraw/zinc/86/55/16/539865516.db2.gz TZLIFZCCDYMPFA-LSDHHAIUSA-N 1 0 362.499 2.457 50 0 FEAARO O=S(=O)(NC1CC[NH2+]CC1)c1ccc(Br)cc1Cl ZINC000034955863 539978391 /nfs/dbraw/zinc/97/83/91/539978391.db2.gz CFYFYHGBZLMIGF-UHFFFAOYSA-N 1 0 353.669 2.133 50 0 FEAARO c1ccc(-n2nnnc2C2(N3CC[NH2+]CC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170816 539979215 /nfs/dbraw/zinc/97/92/15/539979215.db2.gz PDKVEFWYGRQACQ-UHFFFAOYSA-N 1 0 364.497 2.219 50 0 FEAARO CCN(C(=O)C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1)C1CC1 ZINC000040120472 540006804 /nfs/dbraw/zinc/00/68/04/540006804.db2.gz WXOCGBCEEBVIQK-UHFFFAOYSA-N 1 0 357.498 2.211 50 0 FEAARO O=C(CCCNc1ncccn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000049637966 540391162 /nfs/dbraw/zinc/39/11/62/540391162.db2.gz WESWMDWUYYSDDX-UHFFFAOYSA-N 1 0 353.470 2.450 50 0 FEAARO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000050246614 540403717 /nfs/dbraw/zinc/40/37/17/540403717.db2.gz CTHZTIDLQILWSX-MRVPVSSYSA-N 1 0 353.669 2.072 50 0 FEAARO CCCCOc1c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cccc1OC ZINC000055309960 540645755 /nfs/dbraw/zinc/64/57/55/540645755.db2.gz VCDHQSCJFDXHGJ-UHFFFAOYSA-N 1 0 370.515 2.388 50 0 FEAARO Cn1cnnc1CC1CC[NH+](Cc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC000055413166 540652138 /nfs/dbraw/zinc/65/21/38/540652138.db2.gz XCZSEEFOLHAZMT-UHFFFAOYSA-N 1 0 355.417 2.250 50 0 FEAARO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(-n3cncn3)nc2)c1 ZINC000057992867 540825888 /nfs/dbraw/zinc/82/58/88/540825888.db2.gz MKRBOIHSMBQKAA-UHFFFAOYSA-N 1 0 361.409 2.351 50 0 FEAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1)CN2 ZINC000058366708 540840448 /nfs/dbraw/zinc/84/04/48/540840448.db2.gz NOFQHEGZAAUORR-WMZOPIPTSA-N 1 0 353.470 2.187 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC000058162649 540830602 /nfs/dbraw/zinc/83/06/02/540830602.db2.gz LYKWDUGOPWPVLO-KDOFPFPSSA-N 1 0 370.515 2.493 50 0 FEAARO O=C1c2ccccc2C(=O)N1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000058174553 540831567 /nfs/dbraw/zinc/83/15/67/540831567.db2.gz RYUUUCFISWXBBK-UHFFFAOYSA-N 1 0 369.490 2.204 50 0 FEAARO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000058250932 540836504 /nfs/dbraw/zinc/83/65/04/540836504.db2.gz JMZFAFUYMHCNIV-UHFFFAOYSA-N 1 0 365.499 2.065 50 0 FEAARO CCCOc1c(Br)cc(C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000236986441 209280926 /nfs/dbraw/zinc/28/09/26/209280926.db2.gz AGJXMCUFRHABLB-LLVKDONJSA-N 1 0 357.248 2.420 50 0 FEAARO Cc1cc(NC(=O)CN2CC[N@H+](CC3CC3)[C@@H](CCO)C2)ccc1Cl ZINC000106258237 209272691 /nfs/dbraw/zinc/27/26/91/209272691.db2.gz YXGRQPDYBYRWPU-KRWDZBQOSA-N 1 0 365.905 2.366 50 0 FEAARO CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)Cc1nnc([C@H](C)[NH3+])[nH]1 ZINC000063882107 541190517 /nfs/dbraw/zinc/19/05/17/541190517.db2.gz OJNPHGNWYSHYBR-LBPRGKRZSA-N 1 0 373.457 2.313 50 0 FEAARO O=C(c1cc2n(n1)CCC[NH2+]C2)N1CCC2(CCc3ccccc32)CC1 ZINC000065382823 541235536 /nfs/dbraw/zinc/23/55/36/541235536.db2.gz SAZYYLDJKKFIOA-UHFFFAOYSA-N 1 0 350.466 2.497 50 0 FEAARO COc1ccnc(N2CC[NH+](Cc3cc(C)ccc3-n3cccn3)CC2)n1 ZINC000065385590 541236288 /nfs/dbraw/zinc/23/62/88/541236288.db2.gz MKRMEZZZNPPXRA-UHFFFAOYSA-N 1 0 364.453 2.302 50 0 FEAARO CC(C)c1nc(CN(C)C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)cs1 ZINC000065383715 541236429 /nfs/dbraw/zinc/23/64/29/541236429.db2.gz HWJAGPGCRIORAJ-CYBMUJFWSA-N 1 0 362.503 2.130 50 0 FEAARO CNC(=O)Cn1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000065536424 541244093 /nfs/dbraw/zinc/24/40/93/541244093.db2.gz REIFSFFPJVGAEO-OAHLLOKOSA-N 1 0 369.469 2.113 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000041442318 209239324 /nfs/dbraw/zinc/23/93/24/209239324.db2.gz DXVJQSKMHIDFGD-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO Cc1cccnc1Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067559063 541480354 /nfs/dbraw/zinc/48/03/54/541480354.db2.gz UHYRDWNEHYOTSY-UHFFFAOYSA-N 1 0 363.465 2.312 50 0 FEAARO [NH3+][C@@H](CCO)C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067674832 541497618 /nfs/dbraw/zinc/49/76/18/541497618.db2.gz VOYRNWVPHRHMSX-AWEZNQCLSA-N 1 0 369.343 2.219 50 0 FEAARO C[N@@H+]1CC[C@H](CNC(=O)c2coc(COc3cccc4cccnc43)n2)C1 ZINC000067676340 541497905 /nfs/dbraw/zinc/49/79/05/541497905.db2.gz XENJKUMVPZBEAD-CQSZACIVSA-N 1 0 366.421 2.483 50 0 FEAARO Cc1ccc(C(=O)NCc2cccnc2N2CCC[N@@H+](C)CC2)c(O)c1 ZINC000067773062 541511319 /nfs/dbraw/zinc/51/13/19/541511319.db2.gz MFPZILOXTCOMEY-UHFFFAOYSA-N 1 0 354.454 2.168 50 0 FEAARO Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)[C@H]3CCOC3)CC2)nc1 ZINC000067788204 541513834 /nfs/dbraw/zinc/51/38/34/541513834.db2.gz JBPPAWLWZAKCPM-SFHVURJKSA-N 1 0 357.498 2.383 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000067740364 541507995 /nfs/dbraw/zinc/50/79/95/541507995.db2.gz ZHFZMFJAFPNACA-CYBMUJFWSA-N 1 0 355.438 2.315 50 0 FEAARO O=C(c1ccc(N2CCCCC2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067758180 541508279 /nfs/dbraw/zinc/50/82/79/541508279.db2.gz NIBYBIGMIFPIRK-UHFFFAOYSA-N 1 0 358.486 2.009 50 0 FEAARO CN(Cc1cc(C(=O)NC[C@@]2(C)CC[N@H+](C)C2)no1)Cc1ccccc1 ZINC000067846643 541519757 /nfs/dbraw/zinc/51/97/57/541519757.db2.gz DIWWEPNLBMQITF-HXUWFJFHSA-N 1 0 356.470 2.378 50 0 FEAARO O[C@@H]1C[N@H+](Cc2cccc3nonc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067840844 541520213 /nfs/dbraw/zinc/52/02/13/541520213.db2.gz XDBJFVHNIOILOI-GOEBONIOSA-N 1 0 353.378 2.302 50 0 FEAARO COc1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCC[NH2+]C3)n[nH]2)c1 ZINC000067805919 541515419 /nfs/dbraw/zinc/51/54/19/541515419.db2.gz UAONOFRNSPEWOF-AWEZNQCLSA-N 1 0 358.442 2.069 50 0 FEAARO CCOc1ccc(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc1CO ZINC000067872925 541523113 /nfs/dbraw/zinc/52/31/13/541523113.db2.gz OAHWRKPFARJUPA-WOJBJXKFSA-N 1 0 362.514 2.389 50 0 FEAARO Cc1ccn(CC[NH2+]C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067895749 541526217 /nfs/dbraw/zinc/52/62/17/541526217.db2.gz QELLVEBMSOPIRD-HXUWFJFHSA-N 1 0 362.518 2.105 50 0 FEAARO COc1cccc(C[C@]2(C3CC[NH2+]CC3)NC(=O)N(CC3CCC3)C2=O)c1 ZINC000067947356 541531940 /nfs/dbraw/zinc/53/19/40/541531940.db2.gz OZPOHHYSLAGXHT-OAQYLSRUSA-N 1 0 371.481 2.328 50 0 FEAARO COc1cc(C)ccc1OCc1nc(C(=O)N2CC[NH+]3CCC2CC3)co1 ZINC000067954529 541532754 /nfs/dbraw/zinc/53/27/54/541532754.db2.gz YEJZHIZJVOQCIA-UHFFFAOYSA-N 1 0 371.437 2.491 50 0 FEAARO CCNC(=O)N1CCC([NH2+][C@H](C)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000067934150 541529562 /nfs/dbraw/zinc/52/95/62/541529562.db2.gz NXRVSCSQYOFNNO-CQSZACIVSA-N 1 0 373.453 2.344 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4cc[nH]c4)C[C@H]3CO)CC2)on1 ZINC000097744848 209195440 /nfs/dbraw/zinc/19/54/40/209195440.db2.gz AKUHVGDQBONZGO-KRWDZBQOSA-N 1 0 372.469 2.048 50 0 FEAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCO[C@@H](CN2CCOCC2)C1 ZINC000097717395 209192252 /nfs/dbraw/zinc/19/22/52/209192252.db2.gz FCHMCNBMQYLKKZ-NRFANRHFSA-N 1 0 370.497 2.104 50 0 FEAARO Cc1nc2cc(C(=O)NCC3([NH+]4CCN(C)CC4)CCCC3)ccc2[nH]1 ZINC000097636478 209190447 /nfs/dbraw/zinc/19/04/47/209190447.db2.gz WKSSZVNZEKUBGS-UHFFFAOYSA-N 1 0 355.486 2.161 50 0 FEAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000097568969 209184996 /nfs/dbraw/zinc/18/49/96/209184996.db2.gz IMRMYGJXPXSUGI-UHFFFAOYSA-N 1 0 355.417 2.164 50 0 FEAARO COc1ccnc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707912 541768776 /nfs/dbraw/zinc/76/87/76/541768776.db2.gz PHRDYARHYXYIHZ-INIZCTEOSA-N 1 0 372.513 2.045 50 0 FEAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCc2c(=O)[nH]cnc2C1 ZINC000071721267 541769280 /nfs/dbraw/zinc/76/92/80/541769280.db2.gz LEFCCDCYPHTTGQ-UHFFFAOYSA-N 1 0 366.465 2.344 50 0 FEAARO Cc1nn(C)cc1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775886 541771797 /nfs/dbraw/zinc/77/17/97/541771797.db2.gz CGEAMTYZESXASW-SFHVURJKSA-N 1 0 373.545 2.027 50 0 FEAARO COc1ccc(CCN(Cc2ccncc2)C(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000072130889 541785246 /nfs/dbraw/zinc/78/52/46/541785246.db2.gz JKLALUIDUKFIQI-LJQANCHMSA-N 1 0 369.465 2.040 50 0 FEAARO CC(C)c1ccc2cc(C(=O)N3CCO[C@@]4(C3)C[NH2+]CCOC4)[nH]c2c1 ZINC000072126665 541784440 /nfs/dbraw/zinc/78/44/40/541784440.db2.gz IFTJXOGXLOMAOJ-HXUWFJFHSA-N 1 0 357.454 2.122 50 0 FEAARO CC(C)C[C@@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)c1ncnn1C ZINC000072129729 541785038 /nfs/dbraw/zinc/78/50/38/541785038.db2.gz NBELONLVOWRCTI-QGZVFWFLSA-N 1 0 355.486 2.118 50 0 FEAARO CC[C@@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 ZINC000072133229 541785123 /nfs/dbraw/zinc/78/51/23/541785123.db2.gz PZWUYTVJXRLHDJ-HNNXBMFYSA-N 1 0 368.485 2.195 50 0 FEAARO COCCNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072143463 541786830 /nfs/dbraw/zinc/78/68/30/541786830.db2.gz KSJSJZOFRHMZSH-UHFFFAOYSA-N 1 0 352.478 2.461 50 0 FEAARO CCCSc1ncc(C[N@@H+]2CC3(C[C@@H]2C(=O)[O-])CC[NH2+]CC3)cn1 ZINC000072146992 541787855 /nfs/dbraw/zinc/78/78/55/541787855.db2.gz CWQQHAAEVCEIAY-CQSZACIVSA-N 1 0 350.488 2.007 50 0 FEAARO CCCc1nc2c(cnn2C)c(N2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000072158843 541791875 /nfs/dbraw/zinc/79/18/75/541791875.db2.gz DIVIFMWYRRBWRP-UHFFFAOYSA-N 1 0 351.458 2.428 50 0 FEAARO CC(=O)NCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072165420 541794148 /nfs/dbraw/zinc/79/41/48/541794148.db2.gz KKFIJBKOLZWJHC-IBGZPJMESA-N 1 0 363.477 2.411 50 0 FEAARO CN(Cc1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2)Cc1cccnc1 ZINC000072169473 541795237 /nfs/dbraw/zinc/79/52/37/541795237.db2.gz MOLDLWAEVAALGO-UHFFFAOYSA-N 1 0 355.486 2.295 50 0 FEAARO Cn1cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072172801 541795976 /nfs/dbraw/zinc/79/59/76/541795976.db2.gz LKGLUXOJMJIHIO-IOMROCGXSA-N 1 0 366.465 2.211 50 0 FEAARO CSCCc1nc([C@H]2CC[NH2+]C2)n(-c2cc(=O)n(C)c3ccccc23)n1 ZINC000097334271 209179120 /nfs/dbraw/zinc/17/91/20/209179120.db2.gz TUOXTGBCEWAXHG-ZDUSSCGKSA-N 1 0 369.494 2.102 50 0 FEAARO Nc1nc2c(c(NCc3csc(-c4ccccc4)n3)n1)CC[NH2+]CC2 ZINC000072469543 541818344 /nfs/dbraw/zinc/81/83/44/541818344.db2.gz MOXZBWHWNGLIEG-UHFFFAOYSA-N 1 0 352.467 2.483 50 0 FEAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(OCCn4ccnc4)cc3)C2)O1 ZINC000072448457 541816086 /nfs/dbraw/zinc/81/60/86/541816086.db2.gz BGEYEXZJDZVMNH-LJQANCHMSA-N 1 0 356.426 2.037 50 0 FEAARO Cc1c[nH]c(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)c(C)c1=O ZINC000072477778 541820354 /nfs/dbraw/zinc/82/03/54/541820354.db2.gz MORQMPFWTCFFHU-LJQANCHMSA-N 1 0 361.530 2.441 50 0 FEAARO CC(C)c1nccn1[C@@H](C)c1nc(CC2CC[NH+](C)CC2)nn1CCO ZINC000096136629 209119031 /nfs/dbraw/zinc/11/90/31/209119031.db2.gz RRWNDHBCEBEWPA-HNNXBMFYSA-N 1 0 360.506 2.084 50 0 FEAARO C[NH+](C)Cc1ccc(-c2nc(CC(N)=O)nn2-c2cccc3c2CCC3)o1 ZINC000096149711 209122778 /nfs/dbraw/zinc/12/27/78/209122778.db2.gz ZIZYODNWOMDRTM-UHFFFAOYSA-N 1 0 365.437 2.105 50 0 FEAARO COc1ccc([C@@H](C[NH2+]Cc2c(N)ncnc2OC)N2CCCC2)cc1 ZINC000075093146 542151334 /nfs/dbraw/zinc/15/13/34/542151334.db2.gz MAMFNVCZNPTTNZ-QGZVFWFLSA-N 1 0 357.458 2.003 50 0 FEAARO O=c1oc2ccccc2c(=O)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000075250769 542164537 /nfs/dbraw/zinc/16/45/37/542164537.db2.gz FCMKRYXCALKDKH-UHFFFAOYSA-N 1 0 365.433 2.167 50 0 FEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NC[C@@H](O)c1ccc(O)cc1 ZINC000299783730 206648399 /nfs/dbraw/zinc/64/83/99/206648399.db2.gz WZDJKMPVDUGREN-MRXNPFEDSA-N 1 0 364.829 2.237 50 0 FEAARO Cc1cc(CN(C)C(=O)C[C@H](C[NH3+])CO)cc(C)c1OCC(F)(F)F ZINC000328596866 206712266 /nfs/dbraw/zinc/71/22/66/206712266.db2.gz AZDACNHSPRHGIH-CQSZACIVSA-N 1 0 362.392 2.160 50 0 FEAARO CC1(C)CC(NC(=O)c2coc(=O)c(Br)c2)CC(C)(C)[NH2+]1 ZINC000001251872 206872701 /nfs/dbraw/zinc/87/27/01/206872701.db2.gz MTIWZONHYYTCFT-UHFFFAOYSA-N 1 0 357.248 2.441 50 0 FEAARO C[NH+](C)CCN(C(=O)C1=COCCO1)c1nc2c(cccc2F)s1 ZINC000004359295 207015711 /nfs/dbraw/zinc/01/57/11/207015711.db2.gz ISLWVEQDBSJLJB-UHFFFAOYSA-N 1 0 351.403 2.218 50 0 FEAARO CCCC[N@H+](C)CCNC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961816 207066966 /nfs/dbraw/zinc/06/69/66/207066966.db2.gz WSBQHMRFAISJPP-UHFFFAOYSA-N 1 0 370.453 2.299 50 0 FEAARO COc1cc(COC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)cc(OC)c1OC ZINC000005028886 207073387 /nfs/dbraw/zinc/07/33/87/207073387.db2.gz IGFPZUIONLNUDO-HOCLYGCPSA-N 1 0 353.459 2.322 50 0 FEAARO COc1ccc2c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc2c1C ZINC000008791003 207250106 /nfs/dbraw/zinc/25/01/06/207250106.db2.gz NTWIEXVXMPWHSQ-UHFFFAOYSA-N 1 0 360.454 2.419 50 0 FEAARO C[NH+](C)CCN(Cc1cccs1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000009688408 207281374 /nfs/dbraw/zinc/28/13/74/207281374.db2.gz WINFJEXWIDRVDF-UHFFFAOYSA-N 1 0 359.451 2.246 50 0 FEAARO O=C(CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)NCc1ccco1 ZINC000009691268 207283206 /nfs/dbraw/zinc/28/32/06/207283206.db2.gz JOURBSPABFDBHQ-UHFFFAOYSA-N 1 0 355.438 2.312 50 0 FEAARO COc1ccc(NC(=O)CC(C)(C)CC(=O)NCC[NH+](C)C)c(OC)c1 ZINC000009833516 207287059 /nfs/dbraw/zinc/28/70/59/207287059.db2.gz BVTNJRVGLRJEJS-UHFFFAOYSA-N 1 0 365.474 2.127 50 0 FEAARO CCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1Br ZINC000010475042 207302368 /nfs/dbraw/zinc/30/23/68/207302368.db2.gz FJJQSRPHQCTOPR-UHFFFAOYSA-N 1 0 372.292 2.253 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000010544048 207303427 /nfs/dbraw/zinc/30/34/27/207303427.db2.gz AQXBSBPDLDTENV-GASCZTMLSA-N 1 0 367.515 2.291 50 0 FEAARO O=C(NCCc1cnccn1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000011818353 207324399 /nfs/dbraw/zinc/32/43/99/207324399.db2.gz QRFHLPMYZCPPTF-UHFFFAOYSA-N 1 0 350.466 2.159 50 0 FEAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@@H]3CCOC3)CC2)cc1 ZINC000012075259 207335832 /nfs/dbraw/zinc/33/58/32/207335832.db2.gz FSCITPMTCHMFQY-LJQANCHMSA-N 1 0 360.498 2.445 50 0 FEAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)n1C ZINC000012444466 207378510 /nfs/dbraw/zinc/37/85/10/207378510.db2.gz PNLGHZPIXQWZBQ-HXUWFJFHSA-N 1 0 353.470 2.138 50 0 FEAARO CCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012579331 207396423 /nfs/dbraw/zinc/39/64/23/207396423.db2.gz QPKPZWHTPBHGPF-GOSISDBHSA-N 1 0 357.498 2.416 50 0 FEAARO OCCOCCN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000022455575 207807349 /nfs/dbraw/zinc/80/73/49/207807349.db2.gz HRYOFWZLUOWOGX-UHFFFAOYSA-N 1 0 354.494 2.445 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](CCCOc3ccc(F)cc3)C2)CN1CCO ZINC000077303145 542364504 /nfs/dbraw/zinc/36/45/04/542364504.db2.gz CXXBCTOZYVGVTA-FQEVSTJZSA-N 1 0 364.461 2.292 50 0 FEAARO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000032851084 208049739 /nfs/dbraw/zinc/04/97/39/208049739.db2.gz BGQNWMOXHMKXEX-UHFFFAOYSA-N 1 0 370.840 2.226 50 0 FEAARO Cc1cc(CN2CC[NH+](CCC(=O)N3CCc4ccccc43)CC2)no1 ZINC000032870870 208050233 /nfs/dbraw/zinc/05/02/33/208050233.db2.gz XKKLHQUPWZACTR-UHFFFAOYSA-N 1 0 354.454 2.080 50 0 FEAARO CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)no2)cc1 ZINC000032594097 208032114 /nfs/dbraw/zinc/03/21/14/208032114.db2.gz DDKPXNZVRZTTHI-OAHLLOKOSA-N 1 0 372.469 2.106 50 0 FEAARO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)nc12 ZINC000032764326 208040347 /nfs/dbraw/zinc/04/03/47/208040347.db2.gz YRUGDEDKSQKXFX-UHFFFAOYSA-N 1 0 362.433 2.266 50 0 FEAARO C[C@@H](CCNC(=O)CSc1nc2ccccc2n(C)c1=O)[NH+]1CCCC1 ZINC000033006700 208064783 /nfs/dbraw/zinc/06/47/83/208064783.db2.gz LYIBSPJDHDLSGV-AWEZNQCLSA-N 1 0 374.510 2.016 50 0 FEAARO Cc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2)cc1 ZINC000033032891 208067276 /nfs/dbraw/zinc/06/72/76/208067276.db2.gz QDOARINSCSFNCV-UHFFFAOYSA-N 1 0 351.450 2.069 50 0 FEAARO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000033040100 208068052 /nfs/dbraw/zinc/06/80/52/208068052.db2.gz VMCMZYNGCUFGJF-UONOGXRCSA-N 1 0 361.467 2.320 50 0 FEAARO COCCN1CCN(C(=O)c2csc(-c3cccc(OC)c3)n2)CC1 ZINC000034717376 208107684 /nfs/dbraw/zinc/10/76/84/208107684.db2.gz XEBGXXFICBEPPH-UHFFFAOYSA-N 1 0 361.467 2.223 50 0 FEAARO Cc1ccccc1C[N@@H+](CCN1CCOCC1)C[C@H](O)COCC(C)C ZINC000036104379 208145523 /nfs/dbraw/zinc/14/55/23/208145523.db2.gz FARRYPXWBTUJMB-NRFANRHFSA-N 1 0 364.530 2.163 50 0 FEAARO COc1cc(C[NH2+]CCCO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743701 208268181 /nfs/dbraw/zinc/26/81/81/208268181.db2.gz YJQPPISPXGSKFV-UHFFFAOYSA-N 1 0 358.438 2.493 50 0 FEAARO Cn1ccnc1COc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000042743718 208295787 /nfs/dbraw/zinc/29/57/87/208295787.db2.gz XVOGPSHZANOECI-UHFFFAOYSA-N 1 0 368.481 2.490 50 0 FEAARO NC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000045570645 208336893 /nfs/dbraw/zinc/33/68/93/208336893.db2.gz PVBBAQXUICVJDY-IBGZPJMESA-N 1 0 366.465 2.422 50 0 FEAARO CCOc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1OCc1ccncc1 ZINC000299738395 208322042 /nfs/dbraw/zinc/32/20/42/208322042.db2.gz ADWWYEGSOBLSOB-QGZVFWFLSA-N 1 0 355.438 2.493 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000046214080 208360753 /nfs/dbraw/zinc/36/07/53/208360753.db2.gz DDQVMVAHINQIDO-GDBMZVCRSA-N 1 0 351.516 2.362 50 0 FEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cnc2ccccn2c1=O ZINC000048237568 208390759 /nfs/dbraw/zinc/39/07/59/208390759.db2.gz WRZRXWPCZCGHQI-GOSISDBHSA-N 1 0 362.433 2.261 50 0 FEAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077407445 542379079 /nfs/dbraw/zinc/37/90/79/542379079.db2.gz SPDSRMWAOTWKLQ-QGZVFWFLSA-N 1 0 372.387 2.005 50 0 FEAARO Cc1cnc(CN2C[C@@]3(CCCN(CC[NH+]4CCCC4)C3)CCC2=O)cn1 ZINC000077471781 542385948 /nfs/dbraw/zinc/38/59/48/542385948.db2.gz GUYSLJAVWMCCMI-NRFANRHFSA-N 1 0 371.529 2.085 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](CCOc3ccc(F)cc3)C2)CN1CCCO ZINC000077470207 542386048 /nfs/dbraw/zinc/38/60/48/542386048.db2.gz JACMOGVWGZABCB-FQEVSTJZSA-N 1 0 364.461 2.292 50 0 FEAARO COc1cc(F)c(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)c(F)c1 ZINC000077471486 542386202 /nfs/dbraw/zinc/38/62/02/542386202.db2.gz KVGVLBMFALDLKM-SFHVURJKSA-N 1 0 354.397 2.036 50 0 FEAARO C[NH2+]C1CCN(C(=O)c2cc(OCC3CCC3)cc(C(=O)OC)c2)CC1 ZINC000091871320 209001978 /nfs/dbraw/zinc/00/19/78/209001978.db2.gz GNTSQHZZCJHFMY-UHFFFAOYSA-N 1 0 360.454 2.476 50 0 FEAARO CS[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@H]1[NH+](C)C ZINC000095996474 209095425 /nfs/dbraw/zinc/09/54/25/209095425.db2.gz YWGMZYKFXMOBOL-RQJHMYQMSA-N 1 0 355.411 2.066 50 0 FEAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091965755 209006988 /nfs/dbraw/zinc/00/69/88/209006988.db2.gz KIMVJZQWSMCFPL-KRWDZBQOSA-N 1 0 356.470 2.286 50 0 FEAARO CC(C)C(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091997563 209009540 /nfs/dbraw/zinc/00/95/40/209009540.db2.gz RVTXASPWDUAHFI-VQTJNVASSA-N 1 0 371.525 2.314 50 0 FEAARO Cc1cc(N2CCCN(C(=O)c3c(C)cc(C)n(C)c3=O)CC2)cc[nH+]1 ZINC000092066723 209016547 /nfs/dbraw/zinc/01/65/47/209016547.db2.gz UJHOVOWMKLXKFZ-UHFFFAOYSA-N 1 0 354.454 2.058 50 0 FEAARO COC(=O)C1CC[NH+](CCCNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000095350355 209022778 /nfs/dbraw/zinc/02/27/78/209022778.db2.gz XDGNMZQKHYYNKA-UHFFFAOYSA-N 1 0 368.861 2.110 50 0 FEAARO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(CC(C)C)cc3)C[C@@H]2C1 ZINC000095357462 209025542 /nfs/dbraw/zinc/02/55/42/209025542.db2.gz MVNCJFJPIMSOEX-IFMALSPDSA-N 1 0 374.525 2.317 50 0 FEAARO CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095359826 209027613 /nfs/dbraw/zinc/02/76/13/209027613.db2.gz QFSGUSONNUVYSB-OAHLLOKOSA-N 1 0 358.442 2.072 50 0 FEAARO CCNC(=O)N1CCC(NC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095361343 209027952 /nfs/dbraw/zinc/02/79/52/209027952.db2.gz LEKJLZNWPKSYQC-QGZVFWFLSA-N 1 0 358.486 2.077 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3nnc(C)o3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095363055 209028818 /nfs/dbraw/zinc/02/88/18/209028818.db2.gz QESFYKBGIDLGGC-RCCFBDPRSA-N 1 0 368.437 2.089 50 0 FEAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000095361863 209030151 /nfs/dbraw/zinc/03/01/51/209030151.db2.gz IGQDYDZIQNSXOO-UHFFFAOYSA-N 1 0 360.454 2.266 50 0 FEAARO Cc1ccc(-c2ccno2)cc1S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000092045817 209014468 /nfs/dbraw/zinc/01/44/68/209014468.db2.gz TUDQWQSJXDIRNA-GOEBONIOSA-N 1 0 361.467 2.365 50 0 FEAARO CCCCc1nc(Cl)c(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])[nH]1 ZINC000092046373 209014725 /nfs/dbraw/zinc/01/47/25/209014725.db2.gz FHTPYCJXUYTILH-CABCVRRESA-N 1 0 370.925 2.096 50 0 FEAARO CCCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000095386006 209044830 /nfs/dbraw/zinc/04/48/30/209044830.db2.gz XTQZKVZGPCPZAO-SFHVURJKSA-N 1 0 361.534 2.027 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(CCn2cccc2)CC1 ZINC000095370000 209032797 /nfs/dbraw/zinc/03/27/97/209032797.db2.gz VDCAMMQKRSBBMJ-LJQANCHMSA-N 1 0 370.497 2.138 50 0 FEAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1C ZINC000095383551 209041600 /nfs/dbraw/zinc/04/16/00/209041600.db2.gz PRTMUQAOLQUTRF-QGZVFWFLSA-N 1 0 351.458 2.143 50 0 FEAARO C[NH+](C)CCOCCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000095465030 209056026 /nfs/dbraw/zinc/05/60/26/209056026.db2.gz VYBPVSZPLIWUSI-UHFFFAOYSA-N 1 0 361.467 2.308 50 0 FEAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Cc3cnc[nH]3)C2)cc1 ZINC000095497541 209060564 /nfs/dbraw/zinc/06/05/64/209060564.db2.gz JPXXYISOJGKUKQ-SFHVURJKSA-N 1 0 370.497 2.374 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000095499620 209060817 /nfs/dbraw/zinc/06/08/17/209060817.db2.gz WEVIINXDASAMPI-OAHLLOKOSA-N 1 0 359.449 2.389 50 0 FEAARO COC(=O)c1coc(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000095940216 209087156 /nfs/dbraw/zinc/08/71/56/209087156.db2.gz NVNNSINBKMFKPP-KBPBESRZSA-N 1 0 364.442 2.028 50 0 FEAARO O=C(NCc1nnc2ccccn21)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000079265210 542508813 /nfs/dbraw/zinc/50/88/13/542508813.db2.gz NMUPBHNVRFDNSO-UHFFFAOYSA-N 1 0 370.482 2.208 50 0 FEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnon1 ZINC000095505143 209065276 /nfs/dbraw/zinc/06/52/76/209065276.db2.gz SDOCYCUCIRXTMK-KRWDZBQOSA-N 1 0 372.469 2.495 50 0 FEAARO CCOCCn1nc(C)cc1C(=O)N1CCC(C2CC[NH+](C)CC2)CC1 ZINC000082098925 542683255 /nfs/dbraw/zinc/68/32/55/542683255.db2.gz NIFIFHQIGOSZLZ-UHFFFAOYSA-N 1 0 362.518 2.422 50 0 FEAARO C[NH+](C)C[C@H]1COCCN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000085469730 542728547 /nfs/dbraw/zinc/72/85/47/542728547.db2.gz YHYZUJIYKPCZLR-KRWDZBQOSA-N 1 0 352.434 2.320 50 0 FEAARO COc1cccc(N2C[C@H](C)N(C(=O)CC[NH+]3CCCCC3)CC2=O)c1 ZINC000082109280 132195471 /nfs/dbraw/zinc/19/54/71/132195471.db2.gz JJVKGOWYCGNIHO-INIZCTEOSA-N 1 0 359.470 2.135 50 0 FEAARO Cc1nnc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH+](C)C)c2ccccc12 ZINC000091486611 132201979 /nfs/dbraw/zinc/20/19/79/132201979.db2.gz HITPULLJXLKEBL-MOPGFXCFSA-N 1 0 370.497 2.236 50 0 FEAARO Cc1nc(C)c(C)c(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000091548455 132202105 /nfs/dbraw/zinc/20/21/05/132202105.db2.gz HTYIJDGGSDRADK-NRFANRHFSA-N 1 0 371.529 2.315 50 0 FEAARO CCCc1cc(N2CCC([N@H+]3[C@@H]4CC[C@H]3CNC(=O)C4)CC2)nc(C)n1 ZINC000096159823 132221330 /nfs/dbraw/zinc/22/13/30/132221330.db2.gz GQYALHABXWTAJK-MSOLQXFVSA-N 1 0 357.502 2.059 50 0 FEAARO Cc1cc(N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)nc(-c2cccnc2)n1 ZINC000106266946 132240201 /nfs/dbraw/zinc/24/02/01/132240201.db2.gz CXMMRJOFFCFQTP-SFHVURJKSA-N 1 0 355.486 2.376 50 0 FEAARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2nc1N1CCOCC1 ZINC000216318357 132271176 /nfs/dbraw/zinc/27/11/76/132271176.db2.gz NXTISCSPYMOACI-SFHVURJKSA-N 1 0 368.481 2.301 50 0 FEAARO Cn1ccnc(N2CCC[C@H]([NH2+]C3CC(C)(c4ccccc4)C3)C2)c1=O ZINC000284759555 132304204 /nfs/dbraw/zinc/30/42/04/132304204.db2.gz OQCWNIFOXLYPKE-XPQZIERPSA-N 1 0 352.482 2.459 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@H]1CCCCN21 ZINC000021647326 132901802 /nfs/dbraw/zinc/90/18/02/132901802.db2.gz XMBVZRGBCUVSJY-GOSISDBHSA-N 1 0 372.513 2.484 50 0 FEAARO CCC[C@@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+](C)C ZINC000089949407 542776245 /nfs/dbraw/zinc/77/62/45/542776245.db2.gz LLDGKJRIGAPSOR-ZDUSSCGKSA-N 1 0 356.264 2.234 50 0 FEAARO O=C(c1ccccc1-n1cccn1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091381916 542806489 /nfs/dbraw/zinc/80/64/89/542806489.db2.gz WEYXFFWCPRTRLT-QZTJIDSGSA-N 1 0 368.481 2.039 50 0 FEAARO CCCCc1nc(Cl)c(CN2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)[nH]1 ZINC000091469071 542808993 /nfs/dbraw/zinc/80/89/93/542808993.db2.gz HTTWRIJOMWONNS-SFHVURJKSA-N 1 0 367.925 2.192 50 0 FEAARO Cc1cc(C)c2[nH]c(C[NH2+][C@@H](Cc3ccc(O)cc3)C(N)=O)cc(=O)c2c1 ZINC000091461782 542809502 /nfs/dbraw/zinc/80/95/02/542809502.db2.gz GNKRWWWDAYOQOZ-SFHVURJKSA-N 1 0 365.433 2.037 50 0 FEAARO CCc1nc(N)sc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH+](C)C)C1 ZINC000091586972 542814300 /nfs/dbraw/zinc/81/43/00/542814300.db2.gz SMHIOIZKUHOGPS-GOEBONIOSA-N 1 0 374.510 2.466 50 0 FEAARO CC(=O)c1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091663114 542819102 /nfs/dbraw/zinc/81/91/02/542819102.db2.gz OLOXAXIAYQRKOO-QZTJIDSGSA-N 1 0 358.482 2.446 50 0 FEAARO Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)ccn1 ZINC000092099392 542845957 /nfs/dbraw/zinc/84/59/57/542845957.db2.gz TXAIBOMYDQFGPE-HNAYVOBHSA-N 1 0 362.477 2.368 50 0 FEAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3ccnc(N)n3)C2)cc1OC ZINC000072127232 136142240 /nfs/dbraw/zinc/14/22/40/136142240.db2.gz JQQWDDHTPRRKBH-INIZCTEOSA-N 1 0 371.485 2.219 50 0 FEAARO COc1ccccc1C1CCN(c2nc(N)nc3c2CC[NH2+]CC3)CC1 ZINC000072418569 136145654 /nfs/dbraw/zinc/14/56/54/136145654.db2.gz YESSEOZRPUIAIG-UHFFFAOYSA-N 1 0 353.470 2.140 50 0 FEAARO Cc1nc(C2CC[NH+](CC[C@H]3CCOC3)CC2)cc(N2CCOCC2)n1 ZINC000072478294 136149571 /nfs/dbraw/zinc/14/95/71/136149571.db2.gz MUSWMKKXYJIGLR-KRWDZBQOSA-N 1 0 360.502 2.228 50 0 FEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000094870893 542956216 /nfs/dbraw/zinc/95/62/16/542956216.db2.gz MSIWXWCTOIBVHK-VIFPVBQESA-N 1 0 353.307 2.192 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 ZINC000096000007 542986791 /nfs/dbraw/zinc/98/67/91/542986791.db2.gz YYGXTYOSCCFMDF-AWEZNQCLSA-N 1 0 364.471 2.169 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3cccnc3)C[C@H]2CCO)cc1C ZINC000104461305 543132324 /nfs/dbraw/zinc/13/23/24/543132324.db2.gz GPGQTHDZPPTAMC-HXUWFJFHSA-N 1 0 355.482 2.467 50 0 FEAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000095526505 209076279 /nfs/dbraw/zinc/07/62/79/209076279.db2.gz XDZNQBJTKSMTTO-SFHVURJKSA-N 1 0 353.466 2.402 50 0 FEAARO C[NH+](C)CCN1C[C@@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CC1=O ZINC000095524827 209076413 /nfs/dbraw/zinc/07/64/13/209076413.db2.gz LOIORSQDPMREQA-IBGZPJMESA-N 1 0 371.525 2.096 50 0 FEAARO CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000122934201 543732361 /nfs/dbraw/zinc/73/23/61/543732361.db2.gz AMNFPXLYLOCVGU-MRXNPFEDSA-N 1 0 363.481 2.221 50 0 FEAARO Cc1nc(CCN(C)C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000426488538 263603151 /nfs/dbraw/zinc/60/31/51/263603151.db2.gz VARZPDPJUULWKD-KRWDZBQOSA-N 1 0 357.458 2.051 50 0 FEAARO Cn1c(SCC(=O)NCC2CCCCC2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426621738 263645819 /nfs/dbraw/zinc/64/58/19/263645819.db2.gz PAUGYLPIBPUCGJ-AWEZNQCLSA-N 1 0 351.520 2.071 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CCCO)C3)C2=O)c1 ZINC000426739611 263666344 /nfs/dbraw/zinc/66/63/44/263666344.db2.gz DTINHCSXBTWBFK-IBGZPJMESA-N 1 0 350.434 2.031 50 0 FEAARO COC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000190918675 328240080 /nfs/dbraw/zinc/24/00/80/328240080.db2.gz MWWOZLHDVUSVIU-DKKFBQAASA-N 1 0 361.486 2.095 50 0 FEAARO O=C(c1cccn1Cc1cccs1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174166019 327309917 /nfs/dbraw/zinc/30/99/17/327309917.db2.gz YBFLPJVARCPSMT-INIZCTEOSA-N 1 0 359.495 2.392 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Cc3ccc(O)c(F)c3)cc2C1 ZINC000082109050 519723042 /nfs/dbraw/zinc/72/30/42/519723042.db2.gz HQNICDCQGKHTAL-UHFFFAOYSA-N 1 0 374.460 2.448 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[C@H](C)n3cccn3)cc2C1 ZINC000082157486 519723304 /nfs/dbraw/zinc/72/33/04/519723304.db2.gz WDRQXPWBMVUKGY-INIZCTEOSA-N 1 0 358.490 2.209 50 0 FEAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000248245030 519821381 /nfs/dbraw/zinc/82/13/81/519821381.db2.gz QAPCXHUSJBARQH-XIRDDKMYSA-N 1 0 352.500 2.007 50 0 FEAARO CCCOCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082161332 520253825 /nfs/dbraw/zinc/25/38/25/520253825.db2.gz NOXNMFZMEYJZBZ-GOSISDBHSA-N 1 0 351.535 2.212 50 0 FEAARO CCOc1ccc(C[N@H+](C)C[C@H](O)COC[C@H]2CCCO2)cc1OC ZINC000239653673 520961700 /nfs/dbraw/zinc/96/17/00/520961700.db2.gz BKQWMVSPNUAXKC-DLBZAZTESA-N 1 0 353.459 2.082 50 0 FEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)C1=O ZINC000091643270 523828960 /nfs/dbraw/zinc/82/89/60/523828960.db2.gz SLFPSNWOOFYNMH-FQEVSTJZSA-N 1 0 370.453 2.198 50 0 FEAARO COCCNC(=O)c1ccc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)nc1 ZINC000078672045 523925301 /nfs/dbraw/zinc/92/53/01/523925301.db2.gz NROTZBKLRCOERL-SFHVURJKSA-N 1 0 356.470 2.481 50 0 FEAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000020102856 524435090 /nfs/dbraw/zinc/43/50/90/524435090.db2.gz XIWOGASIEDRBKW-UHFFFAOYSA-N 1 0 359.514 2.046 50 0 FEAARO COc1ccccc1CN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]([NH3+])CN1C ZINC000216380283 524442475 /nfs/dbraw/zinc/44/24/75/524442475.db2.gz VCUVSBDCPORKMD-OALUTQOASA-N 1 0 371.456 2.395 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C[C@H](C)[NH2+]1 ZINC000154205411 524858808 /nfs/dbraw/zinc/85/88/08/524858808.db2.gz YRZZUIFAFIAWCM-OKILXGFUSA-N 1 0 359.857 2.372 50 0 FEAARO CC(=O)N1CCc2c(nc(C)nc2N2CCC([C@@H](C)[NH+]3CCCC3)CC2)C1 ZINC000071614433 534820096 /nfs/dbraw/zinc/82/00/96/534820096.db2.gz KDHFEWKPEZUGQD-OAHLLOKOSA-N 1 0 371.529 2.390 50 0 FEAARO COc1ccc([C@@H](CNC(=O)CCc2nc3cccnc3[nH]2)[NH+](C)C)cc1 ZINC000079477744 525182319 /nfs/dbraw/zinc/18/23/19/525182319.db2.gz PXDPLMPTZICCFR-QGZVFWFLSA-N 1 0 367.453 2.318 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)CCc3cn4ccccc4n3)C[C@@H]2[NH3+])cc1 ZINC000091625849 525421014 /nfs/dbraw/zinc/42/10/14/525421014.db2.gz RTQYEPIEBSJZTG-MOPGFXCFSA-N 1 0 364.449 2.229 50 0 FEAARO CSCC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000156174013 525578560 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FEAARO Cn1c(Cn2cncn2)nnc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000091656783 527072177 /nfs/dbraw/zinc/07/21/77/527072177.db2.gz SENMKRGHTKLLNK-UHFFFAOYSA-N 1 0 365.485 2.267 50 0 FEAARO Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000082139250 527617690 /nfs/dbraw/zinc/61/76/90/527617690.db2.gz JJIAWAJSSMXIDM-UHFFFAOYSA-N 1 0 369.513 2.488 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C)[C@H](C)C3)nc2)on1 ZINC000039485038 535395973 /nfs/dbraw/zinc/39/59/73/535395973.db2.gz SFOXEHOHKHDHIR-CQSZACIVSA-N 1 0 357.458 2.092 50 0 FEAARO C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000170599319 546163016 /nfs/dbraw/zinc/16/30/16/546163016.db2.gz QGAMAASPSHXDKU-QAPCUYQASA-N 1 0 369.465 2.425 50 0 FEAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)C1 ZINC000173562679 546283035 /nfs/dbraw/zinc/28/30/35/546283035.db2.gz SEMUFRHVQBCFMI-CQSZACIVSA-N 1 0 357.410 2.327 50 0 FEAARO CCCC[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)CC1 ZINC000188148200 548273071 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C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1nncn1C ZINC000229890723 548756665 /nfs/dbraw/zinc/75/66/65/548756665.db2.gz MBFDFDVKADJVMK-XYJFISCASA-N 1 0 370.501 2.428 50 0 FEAARO O=C(NCc1ccco1)c1cccc(CN2CC[C@H]3CCOC(=O)[C@H]32)c1 ZINC000230205472 548758997 /nfs/dbraw/zinc/75/89/97/548758997.db2.gz LJCLZAQKVHPGQT-YJBOKZPZSA-N 1 0 354.406 2.347 50 0 FEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000237614652 548838387 /nfs/dbraw/zinc/83/83/87/548838387.db2.gz HDNYJNQMCWCCGA-VHSXEESVSA-N 1 0 364.243 2.242 50 0 FEAARO CC(=O)N(C)c1ccc(NC(=O)CN2CC([N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000244723838 548894194 /nfs/dbraw/zinc/89/41/94/548894194.db2.gz MIHQCTIKBNAAJT-HNNXBMFYSA-N 1 0 358.486 2.166 50 0 FEAARO O=C(Cn1nc2ccccc2n1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244899958 548899143 /nfs/dbraw/zinc/89/91/43/548899143.db2.gz ZTOQSPZYMREJSK-SFHVURJKSA-N 1 0 363.465 2.460 50 0 FEAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000246997514 549259552 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50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cccc(-c2ccc[nH]c2=O)c1 ZINC000299760139 553610909 /nfs/dbraw/zinc/61/09/09/553610909.db2.gz HLRBIULCPRNSOK-KRWDZBQOSA-N 1 0 355.438 2.031 50 0 FEAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)c1cccc(-c2cnccn2)c1 ZINC000299764893 553611830 /nfs/dbraw/zinc/61/18/30/553611830.db2.gz VWXUVILYDVYLFK-SFHVURJKSA-N 1 0 354.454 2.110 50 0 FEAARO O=C(Cc1cnc[nH]c1=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299760885 553612078 /nfs/dbraw/zinc/61/20/78/553612078.db2.gz RYYYUVUAGSNZQF-QGZVFWFLSA-N 1 0 358.417 2.207 50 0 FEAARO O=C1N[C@](c2ccccn2)(C2CC[NH2+]CC2)C(=O)N1CCc1cccs1 ZINC000299769025 553612368 /nfs/dbraw/zinc/61/23/68/553612368.db2.gz LGMDDBDUOPOFAF-IBGZPJMESA-N 1 0 370.478 2.133 50 0 FEAARO O=C1N[C@@](c2ccccn2)(C2CC[NH2+]CC2)C(=O)N1CCc1cccs1 ZINC000299769027 553612394 /nfs/dbraw/zinc/61/23/94/553612394.db2.gz LGMDDBDUOPOFAF-LJQANCHMSA-N 1 0 370.478 2.133 50 0 FEAARO Cc1nccn1CC[C@@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000299765489 553612524 /nfs/dbraw/zinc/61/25/24/553612524.db2.gz BIRYZQACGSZIBP-HXUWFJFHSA-N 1 0 369.513 2.077 50 0 FEAARO CN1CC[NH+](CC2(CNC(=O)[C@H](O)c3ccc4ccccc4c3)CC2)CC1 ZINC000299765841 553612632 /nfs/dbraw/zinc/61/26/32/553612632.db2.gz YLBKRZUOOTYTQJ-HXUWFJFHSA-N 1 0 367.493 2.017 50 0 FEAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCN(CCCCO)CC1 ZINC000299779181 553613576 /nfs/dbraw/zinc/61/35/76/553613576.db2.gz SMWXQWVDFPLQJR-HBMCJLEFSA-N 1 0 371.525 2.129 50 0 FEAARO C[N@@H+]1CCN2CCN(C(=O)c3ccc(COc4ccccc4)cc3)C[C@H]2C1 ZINC000299779364 553613741 /nfs/dbraw/zinc/61/37/41/553613741.db2.gz VDWASWHYPLOQKG-HXUWFJFHSA-N 1 0 365.477 2.337 50 0 FEAARO Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000299778809 553613876 /nfs/dbraw/zinc/61/38/76/553613876.db2.gz OJYPJMYXSNBNOS-CVEARBPZSA-N 1 0 362.474 2.166 50 0 FEAARO Cc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)c(OCCC[NH3+])c1 ZINC000299777928 553614025 /nfs/dbraw/zinc/61/40/25/553614025.db2.gz LXJOBCUUQPKPOL-KRWDZBQOSA-N 1 0 356.470 2.472 50 0 FEAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCc1ccccn1)C2 ZINC000299777287 553614044 /nfs/dbraw/zinc/61/40/44/553614044.db2.gz MSOSQVWUOFBNMH-HNNXBMFYSA-N 1 0 355.438 2.380 50 0 FEAARO COc1cc(CCC(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)ccc1C ZINC000299776559 553614093 /nfs/dbraw/zinc/61/40/93/553614093.db2.gz MCEMTGGHLBDRFF-UHFFFAOYSA-N 1 0 359.514 2.080 50 0 FEAARO C[NH+](C)C[C@@]1(CO)CCCN(C(=O)CCSCc2ccccc2)C1 ZINC000299789475 553614884 /nfs/dbraw/zinc/61/48/84/553614884.db2.gz VQAOQKQQECQJEL-IBGZPJMESA-N 1 0 350.528 2.473 50 0 FEAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCCc2cccc(C(F)(F)F)c2)C1 ZINC000299797051 553615773 /nfs/dbraw/zinc/61/57/73/553615773.db2.gz PGAXBIOLQQARHF-MRXNPFEDSA-N 1 0 357.420 2.390 50 0 FEAARO CSCC[C@H]([NH3+])C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000299796397 553615852 /nfs/dbraw/zinc/61/58/52/553615852.db2.gz NPUFFLQKGFROGR-INIZCTEOSA-N 1 0 357.470 2.126 50 0 FEAARO Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000333263630 554595887 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Cc1cccc(=O)n1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000426649816 559739616 /nfs/dbraw/zinc/73/96/16/559739616.db2.gz YHWQSBDMVDGKIK-NRFANRHFSA-N 1 0 357.498 2.271 50 0 FEAARO Cc1ccc(SCCN(C)C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000584903064 570510148 /nfs/dbraw/zinc/51/01/48/570510148.db2.gz XHJQQJXLPOWKMM-QGZVFWFLSA-N 1 0 364.559 2.364 50 0 FEAARO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000075877425 570619693 /nfs/dbraw/zinc/61/96/93/570619693.db2.gz VTPWAFLSENGPBX-IRXDYDNUSA-N 1 0 373.545 2.418 50 0 FEAARO CNc1nc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000083884237 571056060 /nfs/dbraw/zinc/05/60/60/571056060.db2.gz NDTAYIWBMOORSP-UHFFFAOYSA-N 1 0 373.526 2.123 50 0 FEAARO CCNc1ncc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cn1 ZINC000426389240 571132076 /nfs/dbraw/zinc/13/20/76/571132076.db2.gz IWTLWQPSJPKQBT-WSTZPKSXSA-N 1 0 360.502 2.847 50 0 FEAARO C[C@H](NC(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1nc(-c2cccnc2)no1 ZINC000426358170 571214693 /nfs/dbraw/zinc/21/46/93/571214693.db2.gz DDTHEYFQJLMMFX-AWEZNQCLSA-N 1 0 370.457 2.320 50 0 FEAARO C[NH+]1CCN([C@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1 ZINC000426387140 571218296 /nfs/dbraw/zinc/21/82/96/571218296.db2.gz TUWPPYNPQQCJFK-NRFANRHFSA-N 1 0 366.509 2.414 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1c[nH]nc1-c1cccs1 ZINC000426397372 571219470 /nfs/dbraw/zinc/21/94/70/571219470.db2.gz JGRWCSRLRHHQJI-ZDUSSCGKSA-N 1 0 370.482 2.118 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426431736 571224775 /nfs/dbraw/zinc/22/47/75/571224775.db2.gz FJHBSOIENQFUCE-SFHVURJKSA-N 1 0 368.485 2.289 50 0 FEAARO Cc1c([C@H](C)NC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)cnn1C ZINC000426470804 571226780 /nfs/dbraw/zinc/22/67/80/571226780.db2.gz LHDYYXFIDDLMDJ-HNNXBMFYSA-N 1 0 370.501 2.491 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CC(NC[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000584887885 571314117 /nfs/dbraw/zinc/31/41/17/571314117.db2.gz IRPBCGUMOLNDGW-QGZVFWFLSA-N 1 0 365.543 2.078 50 0 FEAARO CCCOc1ccc(CCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1OC ZINC000584899570 571316020 /nfs/dbraw/zinc/31/60/20/571316020.db2.gz NTLZZYLUYDUSCS-CALCHBBNSA-N 1 0 361.486 2.230 50 0 FEAARO COC(=O)c1ccc(-c2cccc(C(=O)N3CCC[NH2+]CC3)c2)c(CO)c1 ZINC000584900401 571316032 /nfs/dbraw/zinc/31/60/32/571316032.db2.gz GQPQBPGENJTUCV-UHFFFAOYSA-N 1 0 368.433 2.068 50 0 FEAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+]([C@@H](C)CO)CC2 ZINC000014751373 670009349 /nfs/dbraw/zinc/00/93/49/670009349.db2.gz XURYFEKGMNNGON-INIZCTEOSA-N 1 0 353.507 2.168 50 0 FEAARO CCCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C(C)C)C2 ZINC000020909891 670031338 /nfs/dbraw/zinc/03/13/38/670031338.db2.gz AUENARMTAKLEPJ-CQSZACIVSA-N 1 0 350.532 2.337 50 0 FEAARO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 ZINC000652384247 677485404 /nfs/dbraw/zinc/48/54/04/677485404.db2.gz UROWPNSDGLNQMS-IXDOHACOSA-N 1 0 356.463 2.016 50 0 FEAARO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657917911 678045799 /nfs/dbraw/zinc/04/57/99/678045799.db2.gz MFXBWVQUCFFQQQ-SOLBZPMBSA-N 1 0 366.527 2.214 50 0 FEAARO CN(C)c1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000952972796 681793792 /nfs/dbraw/zinc/79/37/92/681793792.db2.gz GVJWKZSJAARXRE-GFCCVEGCSA-N 1 0 362.865 2.249 50 0 FEAARO CCn1nc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC000009750069 539508113 /nfs/dbraw/zinc/50/81/13/539508113.db2.gz SWYZWQNVVSASNT-UHFFFAOYSA-N 1 0 356.470 2.411 50 0 FEAARO COc1ccccc1[C@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000009835539 539508129 /nfs/dbraw/zinc/50/81/29/539508129.db2.gz RAIMZAQKINERHN-KRWDZBQOSA-N 1 0 365.393 2.303 50 0 FEAARO C[N@H+](CCCNC(=O)c1n[nH]c(=O)c2ccccc21)Cc1ccccc1 ZINC000012601724 539566876 /nfs/dbraw/zinc/56/68/76/539566876.db2.gz DNLBPLUUNDSYGG-UHFFFAOYSA-N 1 0 350.422 2.175 50 0 FEAARO O=S(=O)(Cc1ccc(Br)cc1)NCCC[NH+]1CCCC1 ZINC000013675772 539589643 /nfs/dbraw/zinc/58/96/43/539589643.db2.gz NRKJSCDEHAIINI-UHFFFAOYSA-N 1 0 361.305 2.354 50 0 FEAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000013727682 539591441 /nfs/dbraw/zinc/59/14/41/539591441.db2.gz ZDPJICLKPZORAX-UHFFFAOYSA-N 1 0 361.486 2.082 50 0 FEAARO Cc1c(CNc2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)cnn1C ZINC000014981372 539607827 /nfs/dbraw/zinc/60/78/27/539607827.db2.gz ZQWVQFOXQOGADM-SFHVURJKSA-N 1 0 370.501 2.340 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3CCCC3)C2=O)c1 ZINC000014974121 539608335 /nfs/dbraw/zinc/60/83/35/539608335.db2.gz MVEFKKVQPKSMEI-IBGZPJMESA-N 1 0 350.434 2.220 50 0 FEAARO CN(c1nc2nonc2nc1NCc1ccccc1)C1CC[NH+](C)CC1 ZINC000015062988 539610906 /nfs/dbraw/zinc/61/09/06/539610906.db2.gz AJUPUPQAJYOADM-UHFFFAOYSA-N 1 0 353.430 2.155 50 0 FEAARO CN1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccccc3)s2)CC1 ZINC000015728191 539622643 /nfs/dbraw/zinc/62/26/43/539622643.db2.gz UWNRPPNYXPYACB-UHFFFAOYSA-N 1 0 368.510 2.370 50 0 FEAARO C[NH2+]Cc1cn(C2CCN(C(=O)Cc3c(C)[nH]c4ccccc43)CC2)nn1 ZINC000019146424 539652304 /nfs/dbraw/zinc/65/23/04/539652304.db2.gz KZEVUCGOXGSPOT-UHFFFAOYSA-N 1 0 366.469 2.193 50 0 FEAARO CCC(C)(C)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000018940196 539649651 /nfs/dbraw/zinc/64/96/51/539649651.db2.gz UUSKEZMCROSDAR-UHFFFAOYSA-N 1 0 353.488 2.188 50 0 FEAARO C[C@@H](Cn1cncn1)[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000019334203 539655002 /nfs/dbraw/zinc/65/50/02/539655002.db2.gz GHQNXGWRLPCGSM-INIZCTEOSA-N 1 0 368.485 2.052 50 0 FEAARO O=C(CCC[NH+]1CCCC1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000252571088 209939544 /nfs/dbraw/zinc/93/95/44/209939544.db2.gz XQJFRHPJWLFHQY-LVCYWYKZSA-N 1 0 358.482 2.426 50 0 FEAARO Cc1noc(C)c1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019924845 539670743 /nfs/dbraw/zinc/67/07/43/539670743.db2.gz CXXDFHLBVGTUIQ-UHFFFAOYSA-N 1 0 357.458 2.231 50 0 FEAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000020914645 539678245 /nfs/dbraw/zinc/67/82/45/539678245.db2.gz KUJNLLGBWMQTDG-IBGZPJMESA-N 1 0 350.478 2.427 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000022693878 539696975 /nfs/dbraw/zinc/69/69/75/539696975.db2.gz XMFLYOZNHOHIFA-HNNXBMFYSA-N 1 0 360.458 2.433 50 0 FEAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000023249253 539710806 /nfs/dbraw/zinc/71/08/06/539710806.db2.gz IDANNXBKVXFZEW-UHFFFAOYSA-N 1 0 355.457 2.302 50 0 FEAARO Cc1cccc(CN2CC[N@@H+](C3CSCCSC3)C[C@@H]2CCO)n1 ZINC000023374799 539712881 /nfs/dbraw/zinc/71/28/81/539712881.db2.gz UHSRYXJWFLOYSR-KRWDZBQOSA-N 1 0 367.584 2.107 50 0 FEAARO C[C@H](O)c1cn(C2CC[NH+](Cc3cccn3-c3cccnc3)CC2)nn1 ZINC000023368918 539713480 /nfs/dbraw/zinc/71/34/80/539713480.db2.gz QKDXXPSVNSMUIW-HNNXBMFYSA-N 1 0 352.442 2.354 50 0 FEAARO Cc1cc2cc(C(=O)N3CCC[C@@H](Cn4cc(C[NH3+])nn4)C3)ccc2o1 ZINC000023542426 539715929 /nfs/dbraw/zinc/71/59/29/539715929.db2.gz NMQOAWQQNLQTEA-CQSZACIVSA-N 1 0 353.426 2.344 50 0 FEAARO CC[C@H](c1n[nH]c2c1CN(C(=O)C[C@H]1C[NH2+]CCO1)CC2)c1ccccc1 ZINC000023619421 539717744 /nfs/dbraw/zinc/71/77/44/539717744.db2.gz ZJRLKLWPWNPSPE-IRXDYDNUSA-N 1 0 368.481 2.215 50 0 FEAARO Cc1sc2nc(CC(=O)NCCC[NH+]3CCCCC3)[nH]c(=O)c2c1C ZINC000024715996 539739024 /nfs/dbraw/zinc/73/90/24/539739024.db2.gz ATJAMZRCGAEQPL-UHFFFAOYSA-N 1 0 362.499 2.136 50 0 FEAARO CCc1ccc2c(c1)c(C)cc(=O)n2Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C ZINC000244719211 209902756 /nfs/dbraw/zinc/90/27/56/209902756.db2.gz LYTOZSYPDDLLGH-SHTZXODSSA-N 1 0 351.454 2.254 50 0 FEAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000025061876 539747463 /nfs/dbraw/zinc/74/74/63/539747463.db2.gz NNLDAVCAVYDFLH-SLEUVZQESA-N 1 0 358.891 2.025 50 0 FEAARO Cc1ccc(NC(=O)c2cccc(C[NH3+])c2)cc1S(=O)(=O)NC1CC1 ZINC000240551640 209894558 /nfs/dbraw/zinc/89/45/58/209894558.db2.gz GVBQIHGHIQSNKW-UHFFFAOYSA-N 1 0 359.451 2.147 50 0 FEAARO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000028278894 539830155 /nfs/dbraw/zinc/83/01/55/539830155.db2.gz JUKWDFFUCBWRPL-QGZVFWFLSA-N 1 0 360.479 2.420 50 0 FEAARO COc1cccc(C[N@H+](C)CCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000037170643 539996178 /nfs/dbraw/zinc/99/61/78/539996178.db2.gz FKQHAZXOJGHHMR-UHFFFAOYSA-N 1 0 368.481 2.261 50 0 FEAARO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946339 540395388 /nfs/dbraw/zinc/39/53/88/540395388.db2.gz FMTIGMZROUNYIB-MRXNPFEDSA-N 1 0 369.456 2.423 50 0 FEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000054224042 540576552 /nfs/dbraw/zinc/57/65/52/540576552.db2.gz GBWJUBACLCACNA-ZFWWWQNUSA-N 1 0 372.498 2.052 50 0 FEAARO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000057996615 540826552 /nfs/dbraw/zinc/82/65/52/540826552.db2.gz NLYYGCPFNHZKKS-UHFFFAOYSA-N 1 0 356.474 2.020 50 0 FEAARO O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058172324 540831187 /nfs/dbraw/zinc/83/11/87/540831187.db2.gz WFMXPEZWGRPBSY-GOSISDBHSA-N 1 0 371.481 2.050 50 0 FEAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000238010633 209358064 /nfs/dbraw/zinc/35/80/64/209358064.db2.gz ORTOJBOISZTMAM-WBMJQRKESA-N 1 0 373.280 2.224 50 0 FEAARO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000237898520 209355496 /nfs/dbraw/zinc/35/54/96/209355496.db2.gz HQBUMUOATUSKEL-DAYGRLMNSA-N 1 0 365.905 2.347 50 0 FEAARO CC(C)C(=O)Nc1nc(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000058203084 540833238 /nfs/dbraw/zinc/83/32/38/540833238.db2.gz FTHYDKQDWBRGNO-CYBMUJFWSA-N 1 0 352.504 2.127 50 0 FEAARO CCNC(=O)CN(CC)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058216299 540833878 /nfs/dbraw/zinc/83/38/78/540833878.db2.gz ARGYFVLMHPKKFG-HNNXBMFYSA-N 1 0 366.531 2.128 50 0 FEAARO O=C(Nc1cccc(N2CCNC2=O)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058213354 540833975 /nfs/dbraw/zinc/83/39/75/540833975.db2.gz NKLFOCDLOXXAAS-QGZVFWFLSA-N 1 0 357.458 2.308 50 0 FEAARO COc1cccc(C[NH+]2CCC(NC(=O)/C=C/c3cnn(C)c3)CC2)c1 ZINC000058225009 540835099 /nfs/dbraw/zinc/83/50/99/540835099.db2.gz IKZKLAVFFBZWOC-VOTSOKGWSA-N 1 0 354.454 2.223 50 0 FEAARO Cc1cc(C)nc(SCC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000058246498 540835764 /nfs/dbraw/zinc/83/57/64/540835764.db2.gz BRPQPUSBEVFSBD-KRWDZBQOSA-N 1 0 358.511 2.475 50 0 FEAARO C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC[NH2+]1 ZINC000237576648 209349835 /nfs/dbraw/zinc/34/98/35/209349835.db2.gz JNAIKWHMOJEVRQ-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO CCC1CCC([N@H+](C)CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000048354347 209330459 /nfs/dbraw/zinc/33/04/59/209330459.db2.gz SYSADQKCEBQOBN-UHFFFAOYSA-N 1 0 364.490 2.173 50 0 FEAARO CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)c1ncn(C)c1Cl ZINC000059733444 540864815 /nfs/dbraw/zinc/86/48/15/540864815.db2.gz OIMMDQYDUQYKMF-UHFFFAOYSA-N 1 0 350.916 2.062 50 0 FEAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000106942960 209273847 /nfs/dbraw/zinc/27/38/47/209273847.db2.gz ACAAEUGJZFLRHS-MRXNPFEDSA-N 1 0 354.520 2.158 50 0 FEAARO O=C(c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1)N1CCSCC1 ZINC000065255793 541230393 /nfs/dbraw/zinc/23/03/93/541230393.db2.gz BGIPLYSRBSPRQC-GOSISDBHSA-N 1 0 368.506 2.422 50 0 FEAARO CNc1nccc(N2CCC(CC(=O)NCC[NH+]3CCCCCC3)CC2)n1 ZINC000065282116 541232826 /nfs/dbraw/zinc/23/28/26/541232826.db2.gz ONIYPBLCVLUSMX-UHFFFAOYSA-N 1 0 374.533 2.117 50 0 FEAARO CC(C)Cn1c(=O)c(C(=O)NCCC[NH+]2CCCCC2)nc2cccnc21 ZINC000065282919 541232920 /nfs/dbraw/zinc/23/29/20/541232920.db2.gz HNHFVLXREGWMMJ-UHFFFAOYSA-N 1 0 371.485 2.053 50 0 FEAARO CCn1c(=O)n(CC(=O)Nc2ccccc2C2CC2)nc1C1CC[NH2+]CC1 ZINC000065462196 541239932 /nfs/dbraw/zinc/23/99/32/541239932.db2.gz ABRSAZXULLBRMS-UHFFFAOYSA-N 1 0 369.469 2.048 50 0 FEAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1cn2ncsc2n1 ZINC000065394878 541235846 /nfs/dbraw/zinc/23/58/46/541235846.db2.gz HDKJEGQHPXRYLX-LBPRGKRZSA-N 1 0 359.455 2.473 50 0 FEAARO COc1ccc2[nH]c(CNC(=O)[C@H]3[C@@H]4C[N@H+](C5CCCC5)C[C@@H]43)nc2c1 ZINC000102462284 209235817 /nfs/dbraw/zinc/23/58/17/209235817.db2.gz YHCXKEFSFMVLSV-QWHZDKJVSA-N 1 0 354.454 2.308 50 0 FEAARO COc1cccc(C)c1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067714688 541503994 /nfs/dbraw/zinc/50/39/94/541503994.db2.gz SJIYNQNJEKHBPL-UHFFFAOYSA-N 1 0 354.454 2.080 50 0 FEAARO CC(C)n1cncc1Cn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067714505 541504216 /nfs/dbraw/zinc/50/42/16/541504216.db2.gz NDELYLUDHWSMHV-MRXNPFEDSA-N 1 0 366.469 2.327 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)NC[C@]2(C)CC[N@H+](C)C2)[nH]n1 ZINC000067773824 541511927 /nfs/dbraw/zinc/51/19/27/541511927.db2.gz HZNGVPJLKDBUBH-IBGZPJMESA-N 1 0 358.442 2.069 50 0 FEAARO COc1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)n[nH]2)c1 ZINC000067817304 541516805 /nfs/dbraw/zinc/51/68/05/541516805.db2.gz PSFIGOMCHZARCR-OAHLLOKOSA-N 1 0 358.442 2.164 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](NC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)C1 ZINC000067820961 541517715 /nfs/dbraw/zinc/51/77/15/541517715.db2.gz MRDBNBLWVRYRRE-NXEZZACHSA-N 1 0 351.332 2.167 50 0 FEAARO Cc1cccc(NC(=O)CC[NH2+]C2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000067820143 541517785 /nfs/dbraw/zinc/51/77/85/541517785.db2.gz JEFZJVUYRDOPDO-SFHVURJKSA-N 1 0 359.470 2.083 50 0 FEAARO CCC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cncn2CC(C)C)C1=O ZINC000067841193 541519802 /nfs/dbraw/zinc/51/98/02/541519802.db2.gz GWBBXDCBRWOLGP-LJQANCHMSA-N 1 0 361.490 2.129 50 0 FEAARO CCCC[N@H+](C)C[C@@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067789935 541514469 /nfs/dbraw/zinc/51/44/69/541514469.db2.gz YMXCHJVOKCQQSL-IBGZPJMESA-N 1 0 352.450 2.420 50 0 FEAARO COCC1([NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CCCC1 ZINC000067802970 541514905 /nfs/dbraw/zinc/51/49/05/541514905.db2.gz NMHUVGRKHRVHKD-FQEVSTJZSA-N 1 0 364.461 2.228 50 0 FEAARO Cc1cccc(C)c1N[C@@H](C)C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067805835 541514974 /nfs/dbraw/zinc/51/49/74/541514974.db2.gz WVRYLZXXESNQFJ-SFHVURJKSA-N 1 0 358.530 2.342 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3c(C)cc(=O)[nH]c3C)cnn2c1 ZINC000067805768 541515157 /nfs/dbraw/zinc/51/51/57/541515157.db2.gz PAYSCBYAWYRJMQ-UHFFFAOYSA-N 1 0 368.441 2.129 50 0 FEAARO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)ccc1OCC(N)=O ZINC000067803409 541515351 /nfs/dbraw/zinc/51/53/51/541515351.db2.gz WVWLXUSPXDAZMU-OXJNMPFZSA-N 1 0 364.486 2.178 50 0 FEAARO Cc1cnn(CCCn2nc([C@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)c1 ZINC000067880614 541523853 /nfs/dbraw/zinc/52/38/53/541523853.db2.gz FBFHJHAYOVECIF-KRWDZBQOSA-N 1 0 366.469 2.096 50 0 FEAARO O=C1C[C@H](NCc2ccncc2)C(=O)N1c1ccc(Br)cc1 ZINC000100552075 209214791 /nfs/dbraw/zinc/21/47/91/209214791.db2.gz VNAWBTFGEVIDME-AWEZNQCLSA-N 1 0 360.211 2.266 50 0 FEAARO CCn1nccc1NC(=O)c1cccc(C[N@@H+]2CC[C@H](N(C)C(C)=O)C2)c1 ZINC000067934218 541529700 /nfs/dbraw/zinc/52/97/00/541529700.db2.gz HGPCOMSLFGDHQP-SFHVURJKSA-N 1 0 369.469 2.208 50 0 FEAARO Cc1[nH+]c(N(C)C)nc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1C ZINC000067966574 541533829 /nfs/dbraw/zinc/53/38/29/541533829.db2.gz TUSGPLSATLFVSE-JKSUJKDBSA-N 1 0 370.453 2.243 50 0 FEAARO CC1(C)Cc2ccccc2CN1C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067975653 541535228 /nfs/dbraw/zinc/53/52/28/541535228.db2.gz DKOQJXSQBVPSFH-HNNXBMFYSA-N 1 0 353.470 2.255 50 0 FEAARO Cc1ccccc1-c1ncc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000097694977 209193858 /nfs/dbraw/zinc/19/38/58/209193858.db2.gz QMPXDTGHHMRRKC-PMACEKPBSA-N 1 0 352.482 2.483 50 0 FEAARO CCc1nn(C)c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1-c1ccc(F)cc1 ZINC000097532242 209184701 /nfs/dbraw/zinc/18/47/01/209184701.db2.gz YUFHBIKNWFBDQP-OKILXGFUSA-N 1 0 357.433 2.472 50 0 FEAARO COc1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1Cn1cccn1 ZINC000097446840 209181437 /nfs/dbraw/zinc/18/14/37/209181437.db2.gz AOSQABNOBIIVHE-UHFFFAOYSA-N 1 0 366.469 2.448 50 0 FEAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNc1cc(C)[nH+]c(N)n1 ZINC000071551636 541768211 /nfs/dbraw/zinc/76/82/11/541768211.db2.gz MSOYZYILHKIOPD-UHFFFAOYSA-N 1 0 368.441 2.281 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccn3)CC2)C1 ZINC000071748522 541769743 /nfs/dbraw/zinc/76/97/43/541769743.db2.gz UEZAXVZHLSLWMU-KRWDZBQOSA-N 1 0 356.514 2.079 50 0 FEAARO O=C(c1cnn2cccnc12)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071754151 541770321 /nfs/dbraw/zinc/77/03/21/541770321.db2.gz SWKFQLMFYIJHKK-XUVXKRRUSA-N 1 0 373.460 2.432 50 0 FEAARO O=C(NCC(F)F)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071750220 541770526 /nfs/dbraw/zinc/77/05/26/541770526.db2.gz XWPQSJHTUZPFJM-MRXNPFEDSA-N 1 0 366.456 2.139 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(=O)[nH]2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071776446 541772052 /nfs/dbraw/zinc/77/20/52/541772052.db2.gz GYFRSMSHNZRLFR-KRWDZBQOSA-N 1 0 360.433 2.215 50 0 FEAARO CC(C)[C@H]1C[N@H+](CCn2cncn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764582 541772179 /nfs/dbraw/zinc/77/21/79/541772179.db2.gz DLRNYLRPZMXVOH-GOSISDBHSA-N 1 0 359.449 2.176 50 0 FEAARO O=C(c1ccc2cccnc2c1O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072129130 541785265 /nfs/dbraw/zinc/78/52/65/541785265.db2.gz IKGCTKLQVOBBFY-INIZCTEOSA-N 1 0 355.438 2.002 50 0 FEAARO C[N@H+](CCc1ccccc1)C1(C(=O)NCCCO)Cc2ccccc2C1 ZINC000072123910 541784533 /nfs/dbraw/zinc/78/45/33/541784533.db2.gz FSMVPYIGCWXASH-UHFFFAOYSA-N 1 0 352.478 2.197 50 0 FEAARO c1cc([C@H]2C[N@@H+](C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072138982 541786489 /nfs/dbraw/zinc/78/64/89/541786489.db2.gz XJKKMMBKLONNIM-DUXKGJEZSA-N 1 0 356.466 2.456 50 0 FEAARO COc1ccc(F)c(F)c1C(=O)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072144354 541786962 /nfs/dbraw/zinc/78/69/62/541786962.db2.gz GNKWPIFXBNJLMR-UHFFFAOYSA-N 1 0 354.397 2.035 50 0 FEAARO COc1ccc(OC)c([C@H]2CCN(Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072144985 541787835 /nfs/dbraw/zinc/78/78/35/541787835.db2.gz SXTAYMOICORYBS-HNNXBMFYSA-N 1 0 356.470 2.383 50 0 FEAARO CCC[N@@H+]1CC[C@H]2N(C(=O)CN(C)c3ccccc3)CCC[C@]2(CO)C1 ZINC000072141720 541787310 /nfs/dbraw/zinc/78/73/10/541787310.db2.gz ZFEHDPDVKBHNSD-TZIWHRDSSA-N 1 0 359.514 2.208 50 0 FEAARO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cn1 ZINC000072154762 541790680 /nfs/dbraw/zinc/79/06/80/541790680.db2.gz OUDGBVLEOBAIQE-OAHLLOKOSA-N 1 0 354.520 2.369 50 0 FEAARO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c(=O)[nH]1 ZINC000072156005 541791427 /nfs/dbraw/zinc/79/14/27/541791427.db2.gz YRIRZAPNEOGHCW-INIZCTEOSA-N 1 0 360.502 2.233 50 0 FEAARO NC(=O)c1csc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072162416 541792126 /nfs/dbraw/zinc/79/21/26/541792126.db2.gz RCENNQLWIWFHBV-USXIJHARSA-N 1 0 354.479 2.309 50 0 FEAARO Cc1cn2c(nc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3=O)cc2=O)s1 ZINC000072162961 541792315 /nfs/dbraw/zinc/79/23/15/541792315.db2.gz QZHVFUJLXDLKAZ-INIZCTEOSA-N 1 0 374.510 2.431 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072163145 541793543 /nfs/dbraw/zinc/79/35/43/541793543.db2.gz IFVPJDYBMONNHX-QGZVFWFLSA-N 1 0 365.481 2.406 50 0 FEAARO O=C(CC[N@@H+]1CCCn2nc(CN3CCCC3)cc2C1)Nc1cccnc1 ZINC000072165023 541793931 /nfs/dbraw/zinc/79/39/31/541793931.db2.gz JYUNYHPEJGNQGF-UHFFFAOYSA-N 1 0 368.485 2.108 50 0 FEAARO Cc1sc(-n2cccc2)c(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c1C ZINC000072409917 541806703 /nfs/dbraw/zinc/80/67/03/541806703.db2.gz BTTFBCRZPMRNIY-HOTGVXAUSA-N 1 0 359.495 2.437 50 0 FEAARO Cc1nc2cc([C@H]3CC[NH2+]C3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000072370832 541802206 /nfs/dbraw/zinc/80/22/06/541802206.db2.gz GFBQKIMTDXKKQM-HNNXBMFYSA-N 1 0 355.486 2.414 50 0 FEAARO C[C@H](c1ccon1)N(C)C(=O)c1cccc2c1CN(CC[NH+](C)C)C2=O ZINC000072429680 541811879 /nfs/dbraw/zinc/81/18/79/541811879.db2.gz RUKZHTORDNVIGQ-CYBMUJFWSA-N 1 0 356.426 2.025 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1)NC1CC1 ZINC000072433056 541813580 /nfs/dbraw/zinc/81/35/80/541813580.db2.gz LWIHSLVARWHSTL-OAQYLSRUSA-N 1 0 355.482 2.170 50 0 FEAARO O=C(C1CC[NH+](CCO)CC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000072440072 541815278 /nfs/dbraw/zinc/81/52/78/541815278.db2.gz QDHVIPVFZACTQQ-MRXNPFEDSA-N 1 0 364.461 2.147 50 0 FEAARO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccn3)C2)on1 ZINC000072479207 541821784 /nfs/dbraw/zinc/82/17/84/541821784.db2.gz UHCMCTBLMSEZRO-QFBILLFUSA-N 1 0 354.454 2.434 50 0 FEAARO OC[C@H](Cc1c[nH]c2ccccc12)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072479377 541821837 /nfs/dbraw/zinc/82/18/37/541821837.db2.gz JHYKWFKOTVXVOG-INIZCTEOSA-N 1 0 362.437 2.107 50 0 FEAARO CN(C(=O)c1ccc(-n2cnnc2)nc1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097323946 209178468 /nfs/dbraw/zinc/17/84/68/209178468.db2.gz KIFXBTNSFLJWIQ-QGZVFWFLSA-N 1 0 350.426 2.037 50 0 FEAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C2CC[NH+](C3CCCC3)CC2)on1 ZINC000097272368 209177051 /nfs/dbraw/zinc/17/70/51/209177051.db2.gz HBRWGJPNJNCOGF-APWZRJJASA-N 1 0 361.486 2.311 50 0 FEAARO Cc1cc(=O)[nH]c2cc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)ccc12 ZINC000096160205 209127270 /nfs/dbraw/zinc/12/72/70/209127270.db2.gz ZIWUDARPQGLRLK-INIZCTEOSA-N 1 0 372.469 2.411 50 0 FEAARO Cc1nc(-c2cn(C[C@@H]3CCC[NH2+]C3)nn2)n(C2Cc3ccccc3C2)n1 ZINC000096165935 209130140 /nfs/dbraw/zinc/13/01/40/209130140.db2.gz MZIRBHWBTRODCZ-OAHLLOKOSA-N 1 0 363.469 2.185 50 0 FEAARO C[NH+](C)[C@H]1CCN(Cc2nc(-c3ccncc3)nn2CC(F)(F)F)C1 ZINC000096160824 209128082 /nfs/dbraw/zinc/12/80/82/209128082.db2.gz PARKJUMJKDHFTA-ZDUSSCGKSA-N 1 0 354.380 2.038 50 0 FEAARO O=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000096141387 209120494 /nfs/dbraw/zinc/12/04/94/209120494.db2.gz RUCJHKPQBCDUNK-UHFFFAOYSA-N 1 0 373.522 2.467 50 0 FEAARO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000075094263 542151381 /nfs/dbraw/zinc/15/13/81/542151381.db2.gz NMJXZMZLPRGMEP-WIYYLYMNSA-N 1 0 367.493 2.468 50 0 FEAARO Cc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CC[NH2+]CC1 ZINC000075629585 542193253 /nfs/dbraw/zinc/19/32/53/542193253.db2.gz FUYRBZDWGXUBRC-UHFFFAOYSA-N 1 0 361.833 2.106 50 0 FEAARO CCc1nccn1CCC(=O)NC[C@@H]1CCC2(CC[NH+](C(C)C)CC2)O1 ZINC000299766685 206638200 /nfs/dbraw/zinc/63/82/00/206638200.db2.gz DYIPJEPFZMOXRG-KRWDZBQOSA-N 1 0 362.518 2.374 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002226046 206905248 /nfs/dbraw/zinc/90/52/48/206905248.db2.gz WHMHVBLCJZVDRJ-UHFFFAOYSA-N 1 0 372.498 2.289 50 0 FEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004488477 207022202 /nfs/dbraw/zinc/02/22/02/207022202.db2.gz KUJIJSFNKIFOOX-UHFFFAOYSA-N 1 0 361.789 2.085 50 0 FEAARO CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCC[NH+](C)C)c12 ZINC000006659291 207151386 /nfs/dbraw/zinc/15/13/86/207151386.db2.gz PJVBGNLKHLQHLO-CQSZACIVSA-N 1 0 360.454 2.499 50 0 FEAARO Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000007064710 207185169 /nfs/dbraw/zinc/18/51/69/207185169.db2.gz LJSSXMKNCFYPCF-UHFFFAOYSA-N 1 0 366.469 2.052 50 0 FEAARO CN1C2=C(C(=O)N(CC[NH+]3CCCCC3)C2)[C@H](c2cccs2)NC1=O ZINC000035590353 207222874 /nfs/dbraw/zinc/22/28/74/207222874.db2.gz GMDQSFDBQYORKK-INIZCTEOSA-N 1 0 360.483 2.026 50 0 FEAARO CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000008780414 207249055 /nfs/dbraw/zinc/24/90/55/207249055.db2.gz HRQIIVSJVCUZPJ-UHFFFAOYSA-N 1 0 355.826 2.184 50 0 FEAARO CNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000012334585 207363269 /nfs/dbraw/zinc/36/32/69/207363269.db2.gz SAAFYNTYGNETKX-QGZVFWFLSA-N 1 0 371.525 2.314 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3=NNC(=O)CC3)C2)cc1 ZINC000012579700 207395780 /nfs/dbraw/zinc/39/57/80/207395780.db2.gz IOZXXDWXVRSHGB-GOSISDBHSA-N 1 0 370.497 2.232 50 0 FEAARO COCCNC(=O)c1cccc(OC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000012587919 207398920 /nfs/dbraw/zinc/39/89/20/207398920.db2.gz ALCQDVGNIBIXPM-INIZCTEOSA-N 1 0 364.511 2.412 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 ZINC000022683116 207818297 /nfs/dbraw/zinc/81/82/97/207818297.db2.gz JZBQOEAKNHFYIH-ROUUACIJSA-N 1 0 356.397 2.326 50 0 FEAARO COc1ccc([C@H](C[NH2+]Cc2c(C)nn(C)c2C)N2CCOCC2)cc1 ZINC000032740385 208037147 /nfs/dbraw/zinc/03/71/47/208037147.db2.gz NDPFAABCINARSR-FQEVSTJZSA-N 1 0 358.486 2.209 50 0 FEAARO CCCCOc1ccc(C(=O)N(CC)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000035421789 208124389 /nfs/dbraw/zinc/12/43/89/208124389.db2.gz QJWWMAFJVLTSRU-UHFFFAOYSA-N 1 0 361.486 2.150 50 0 FEAARO C[NH2+]C1(c2nnnn2-c2cccc(C(=O)OC)c2)C2CC3CC(C2)CC1C3 ZINC000035622666 208132562 /nfs/dbraw/zinc/13/25/62/208132562.db2.gz SAZOQZFYYHFPCE-UHFFFAOYSA-N 1 0 367.453 2.320 50 0 FEAARO O=S(=O)(c1ccc(Br)cc1Cl)N1CCC[NH2+]CC1 ZINC000020432368 208137801 /nfs/dbraw/zinc/13/78/01/208137801.db2.gz HMIZDLCKXFBIEW-UHFFFAOYSA-N 1 0 353.669 2.087 50 0 FEAARO CN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2C1=O ZINC000036685213 208170075 /nfs/dbraw/zinc/17/00/75/208170075.db2.gz MPWFCVQJUSIVDJ-AWEZNQCLSA-N 1 0 357.435 2.007 50 0 FEAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COC(C)(C)C)c1 ZINC000036098614 208146175 /nfs/dbraw/zinc/14/61/75/208146175.db2.gz CIWDPHKBSOTGAW-FQEVSTJZSA-N 1 0 364.530 2.305 50 0 FEAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCO4)c3)CC2)CC1 ZINC000039380044 208212218 /nfs/dbraw/zinc/21/22/18/208212218.db2.gz RTCKIFZEMDCKGG-UHFFFAOYSA-N 1 0 373.497 2.402 50 0 FEAARO CC(=O)NCc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000040007683 208217981 /nfs/dbraw/zinc/21/79/81/208217981.db2.gz QWQLZSMEOHDPOZ-IBGZPJMESA-N 1 0 357.429 2.495 50 0 FEAARO CCC(CC)[C@H](CNC(=O)c1cc2ccccc2[nH]c1=O)[NH+]1CCOCC1 ZINC000040051067 208218611 /nfs/dbraw/zinc/21/86/11/208218611.db2.gz QYQTVBXZIOPNEK-IBGZPJMESA-N 1 0 371.481 2.395 50 0 FEAARO CSc1ccc(N2C[C@H](C(=O)NCCC[NH+]3CCCC3)CC2=O)cc1 ZINC000040051463 208219298 /nfs/dbraw/zinc/21/92/98/208219298.db2.gz PNZDLFMTOHKITG-OAHLLOKOSA-N 1 0 361.511 2.364 50 0 FEAARO COCCn1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000040135584 208233965 /nfs/dbraw/zinc/23/39/65/208233965.db2.gz RJHNSPABOHHIME-UHFFFAOYSA-N 1 0 357.458 2.316 50 0 FEAARO CC[NH+](CC)CCNS(=O)(=O)c1ccc(-c2n[nH]c(C)c2C)s1 ZINC000040285873 208244811 /nfs/dbraw/zinc/24/48/11/208244811.db2.gz QSGQJJTYDHORNX-UHFFFAOYSA-N 1 0 356.517 2.375 50 0 FEAARO COc1cc(Br)cc(C[NH2+]CCOCCO)c1OC(C)C ZINC000040728590 208266053 /nfs/dbraw/zinc/26/60/53/208266053.db2.gz ABOWHXRJZPKRQA-UHFFFAOYSA-N 1 0 362.264 2.343 50 0 FEAARO COc1cc(Cl)cc(C[NH2+]CCCSc2nnnn2C)c1OC ZINC000040744615 208268494 /nfs/dbraw/zinc/26/84/94/208268494.db2.gz UICGONOIOBBFRY-UHFFFAOYSA-N 1 0 357.867 2.153 50 0 FEAARO CC(C)CN1C[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC1=O ZINC000041363371 208285281 /nfs/dbraw/zinc/28/52/81/208285281.db2.gz TUHJJHGUXVOBDZ-MRXNPFEDSA-N 1 0 363.527 2.287 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000045744826 208338962 /nfs/dbraw/zinc/33/89/62/208338962.db2.gz SCUAKLXHOGXLAZ-AWEZNQCLSA-N 1 0 353.488 2.045 50 0 FEAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000045966889 208344673 /nfs/dbraw/zinc/34/46/73/208344673.db2.gz RADIXPCXBONCIN-UHFFFAOYSA-N 1 0 351.878 2.404 50 0 FEAARO CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CC2)cc1 ZINC000045966644 208353531 /nfs/dbraw/zinc/35/35/31/208353531.db2.gz OKQWHQQWERSBBK-UHFFFAOYSA-N 1 0 357.498 2.411 50 0 FEAARO CN(C)C(=O)Cc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000047549441 208380662 /nfs/dbraw/zinc/38/06/62/208380662.db2.gz VWKKLXMRHCRAON-UHFFFAOYSA-N 1 0 358.486 2.409 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1)NCc1ccccc1 ZINC000077341727 542369519 /nfs/dbraw/zinc/36/95/19/542369519.db2.gz VGUPWTFCMPRJEI-JOCHJYFZSA-N 1 0 369.509 2.417 50 0 FEAARO Cc1cc(N2CCCN(C(=O)c3ccc(N(C)CCO)cc3)CC2)cc[nH+]1 ZINC000077517494 542391605 /nfs/dbraw/zinc/39/16/05/542391605.db2.gz RZUZXAYBAIKQDZ-UHFFFAOYSA-N 1 0 368.481 2.171 50 0 FEAARO COc1cc(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000058223677 208571403 /nfs/dbraw/zinc/57/14/03/208571403.db2.gz KKDNKWZRHJDCEA-HNNXBMFYSA-N 1 0 364.486 2.492 50 0 FEAARO Cc1cc(-n2nnc(C(=O)NCC[NH+](C)C)c2-c2ccncc2)ccc1F ZINC000065083431 208633702 /nfs/dbraw/zinc/63/37/02/208633702.db2.gz WPFMUWXXNMGGBX-UHFFFAOYSA-N 1 0 368.416 2.068 50 0 FEAARO O=C(NCc1ccc(F)cc1F)c1ccc(=O)n(CC[NH+]2CCCC2)c1 ZINC000064760509 208622817 /nfs/dbraw/zinc/62/28/17/208622817.db2.gz SYDQWCIZVSASPS-UHFFFAOYSA-N 1 0 361.392 2.152 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)Cc3nccs3)cnn2c1 ZINC000067955168 208742111 /nfs/dbraw/zinc/74/21/11/208742111.db2.gz IFQAJZNLFJZMAM-UHFFFAOYSA-N 1 0 358.471 2.300 50 0 FEAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)ccn1 ZINC000067966535 208742221 /nfs/dbraw/zinc/74/22/21/208742221.db2.gz ZQJRJJKVUDPKOG-JOCHJYFZSA-N 1 0 367.493 2.466 50 0 FEAARO Cc1cc(C)n(CC[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)c(=O)n1 ZINC000067840951 208731751 /nfs/dbraw/zinc/73/17/51/208731751.db2.gz MUWDQZNAZDBTIK-IBGZPJMESA-N 1 0 368.481 2.031 50 0 FEAARO CCN1CC[C@]2(CN(Cc3cc(C(C)(C)C)n[nH]3)CC[N@@H+]2C)CCC1=O ZINC000091860827 209001731 /nfs/dbraw/zinc/00/17/31/209001731.db2.gz YAHMFUSFWNVRJZ-FQEVSTJZSA-N 1 0 361.534 2.226 50 0 FEAARO CC(C)[N@H+](C)CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091914774 209003642 /nfs/dbraw/zinc/00/36/42/209003642.db2.gz QTLCYCBHQPVRGF-UHFFFAOYSA-N 1 0 372.513 2.153 50 0 FEAARO Cc1csc(SCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000091724818 208991346 /nfs/dbraw/zinc/99/13/46/208991346.db2.gz QAYBOTUICSCJIH-HUUCEWRRSA-N 1 0 369.556 2.096 50 0 FEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000091745360 208993068 /nfs/dbraw/zinc/99/30/68/208993068.db2.gz HWSYLODIQIWHJT-UHFFFAOYSA-N 1 0 360.454 2.476 50 0 FEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2c(C)n(C)c3ccc(OC)cc32)C[C@@H]1CO ZINC000091908164 209004610 /nfs/dbraw/zinc/00/46/10/209004610.db2.gz OERZCHVGNJBPKM-HZPDHXFCSA-N 1 0 373.497 2.128 50 0 FEAARO CCN(CC[NH+](C)C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091987567 209009196 /nfs/dbraw/zinc/00/91/96/209009196.db2.gz UZSGHDBAASVZKR-UHFFFAOYSA-N 1 0 361.398 2.006 50 0 FEAARO O=C(CCn1cccn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000092038408 209013771 /nfs/dbraw/zinc/01/37/71/209013771.db2.gz OQEXUCGBAPUYQK-FXAWDEMLSA-N 1 0 364.493 2.363 50 0 FEAARO COCCN(C)CC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000095353201 209022423 /nfs/dbraw/zinc/02/24/23/209022423.db2.gz GXGICASDMZIBKU-HXUWFJFHSA-N 1 0 373.541 2.293 50 0 FEAARO CC[NH+]1CCC(CC(=O)N2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000095355769 209024848 /nfs/dbraw/zinc/02/48/48/209024848.db2.gz CJYLVSYZCUUQKC-UHFFFAOYSA-N 1 0 350.532 2.218 50 0 FEAARO O=C(c1cnc(-c2ccncc2)nc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000095353670 209024997 /nfs/dbraw/zinc/02/49/97/209024997.db2.gz PRNIKEAWQRFSLG-UHFFFAOYSA-N 1 0 369.494 2.192 50 0 FEAARO COc1ccccc1N1C[C@H](Nc2nc(N)[nH+]c3c2CCCC3)CC1=O ZINC000095354007 209025259 /nfs/dbraw/zinc/02/52/59/209025259.db2.gz IZXWTPZILJUKLU-GFCCVEGCSA-N 1 0 353.426 2.164 50 0 FEAARO COCCN(Cc1cnn(C)c1)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095360422 209027327 /nfs/dbraw/zinc/02/73/27/209027327.db2.gz YHIOYVMREQYVMO-UHFFFAOYSA-N 1 0 362.518 2.440 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)CCc2ccncc2)CC1 ZINC000092065217 209015460 /nfs/dbraw/zinc/01/54/60/209015460.db2.gz MYJYGWXULGDMQZ-UHFFFAOYSA-N 1 0 355.486 2.179 50 0 FEAARO CC(=O)NCCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095390701 209045762 /nfs/dbraw/zinc/04/57/62/209045762.db2.gz FYSCQCFQSYTXHU-PKOBYXMFSA-N 1 0 361.461 2.165 50 0 FEAARO Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095364382 209031483 /nfs/dbraw/zinc/03/14/83/209031483.db2.gz YMNPHCILGJNKDW-MRXNPFEDSA-N 1 0 370.501 2.373 50 0 FEAARO Cc1cc2cccc(C(=O)N3CC[N@@H+](C)[C@]4(C3)CCNC(=O)CC4)c2o1 ZINC000095375787 209037269 /nfs/dbraw/zinc/03/72/69/209037269.db2.gz HDJDWNNBCNMXFO-FQEVSTJZSA-N 1 0 355.438 2.168 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1nccn1-c1ccc(OC)cc1)C2 ZINC000095377357 209039669 /nfs/dbraw/zinc/03/96/69/209039669.db2.gz VLIJEYLSUPKTEI-PKOBYXMFSA-N 1 0 370.497 2.424 50 0 FEAARO CC(C)c1nnsc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095382005 209040430 /nfs/dbraw/zinc/04/04/30/209040430.db2.gz KHVJQZCNNBJAEP-CYBMUJFWSA-N 1 0 352.504 2.169 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000095499378 209061496 /nfs/dbraw/zinc/06/14/96/209061496.db2.gz BAENPHYPWFERAA-LJQANCHMSA-N 1 0 370.497 2.347 50 0 FEAARO Cc1ncc(C[NH2+]CCO)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095473417 209057074 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COc1cc(Cl)c(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000091616528 542816079 /nfs/dbraw/zinc/81/60/79/542816079.db2.gz HPWVHZBGFLQLCR-HZPDHXFCSA-N 1 0 368.905 2.493 50 0 FEAARO CCN1CC2(CCN(C(=O)C(C)(C)[NH3+])CC2)C[C@H](c2ccccc2)C1=O ZINC000091644192 542818333 /nfs/dbraw/zinc/81/83/33/542818333.db2.gz LQFNTRZMVZEKSK-QGZVFWFLSA-N 1 0 357.498 2.369 50 0 FEAARO O=C1CN(C2CC[NH2+]CC2)C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000091689943 542820526 /nfs/dbraw/zinc/82/05/26/542820526.db2.gz TUVAKIFXMWJKBI-AWEZNQCLSA-N 1 0 356.253 2.135 50 0 FEAARO CCCN1CCC[C@]2(CC[N@H+](Cc3cc(=O)n4c(C)cccc4n3)C2)C1=O ZINC000091754597 542823391 /nfs/dbraw/zinc/82/33/91/542823391.db2.gz DYRFFQWANVQKBW-OAQYLSRUSA-N 1 0 368.481 2.227 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091656629 542818156 /nfs/dbraw/zinc/81/81/56/542818156.db2.gz GPQSGWSQHNNCLB-HUUCEWRRSA-N 1 0 354.397 2.064 50 0 FEAARO Cc1onc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1CO ZINC000091793441 542826016 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FEAARO CC[NH+]1CCN(c2ncc(C(=O)NCc3ccc(C)cc3)c(C)n2)CC1 ZINC000021638361 263384313 /nfs/dbraw/zinc/38/43/13/263384313.db2.gz GYDHSPCLTRLSQC-UHFFFAOYSA-N 1 0 353.470 2.165 50 0 FEAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3cccc(F)c3)C2=O)cc1 ZINC000019972527 519721320 /nfs/dbraw/zinc/72/13/20/519721320.db2.gz PPGIIFIICKVMNC-GOSISDBHSA-N 1 0 369.396 2.248 50 0 FEAARO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2Cc2ccccc2)NC(=O)N[C@H]1C ZINC000241795543 520511053 /nfs/dbraw/zinc/51/10/53/520511053.db2.gz SAAXFIUAGUJFQO-HOCLYGCPSA-N 1 0 357.454 2.212 50 0 FEAARO CCN(CCSc1ccc(C)cc1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091665594 521155275 /nfs/dbraw/zinc/15/52/75/521155275.db2.gz BUEVAALDVOEGPQ-INIZCTEOSA-N 1 0 363.527 2.133 50 0 FEAARO CCCCn1ccnc1C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091625513 521395093 /nfs/dbraw/zinc/39/50/93/521395093.db2.gz NTSBIGWKOGBQCJ-QGZVFWFLSA-N 1 0 362.518 2.358 50 0 FEAARO CCN1CC[NH+](C2CCN(Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000019835582 521671930 /nfs/dbraw/zinc/67/19/30/521671930.db2.gz OQOVZWWZYQBYGV-UHFFFAOYSA-N 1 0 355.486 2.339 50 0 FEAARO CC[NH+]1CCN(CC(=O)NCc2cccnc2Oc2ccccc2C)CC1 ZINC000020204832 521675889 /nfs/dbraw/zinc/67/58/89/521675889.db2.gz QEAPIRGDLLYXPK-UHFFFAOYSA-N 1 0 368.481 2.436 50 0 FEAARO CCN1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000020534845 521686853 /nfs/dbraw/zinc/68/68/53/521686853.db2.gz MOTNQGWLRXXKJB-JOCHJYFZSA-N 1 0 373.541 2.301 50 0 FEAARO CCc1nnc(SCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)[nH]1 ZINC000091620216 522131251 /nfs/dbraw/zinc/13/12/51/522131251.db2.gz PKVSOSDRKSQLKN-HUUCEWRRSA-N 1 0 363.531 2.348 50 0 FEAARO Cn1cc(CC[N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)cn1 ZINC000020515585 522984609 /nfs/dbraw/zinc/98/46/09/522984609.db2.gz LGIAHKLWGHEYNX-UHFFFAOYSA-N 1 0 367.453 2.266 50 0 FEAARO CN1C(=O)C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000158036577 523704318 /nfs/dbraw/zinc/70/43/18/523704318.db2.gz ZHCADXYTPLSZEW-OFQRWUPVSA-N 1 0 369.387 2.175 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccccn2)CC1 ZINC000096162589 523812047 /nfs/dbraw/zinc/81/20/47/523812047.db2.gz QTEGPXSZNIGIEY-GOSISDBHSA-N 1 0 361.486 2.061 50 0 FEAARO C[NH+]1CCN([C@H](CNC(=O)c2cccs2)c2ccc3c(c2)OCO3)CC1 ZINC000020614308 523921735 /nfs/dbraw/zinc/92/17/35/523921735.db2.gz GLHPUMMNJGOTBW-OAHLLOKOSA-N 1 0 373.478 2.195 50 0 FEAARO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252458413 524127241 /nfs/dbraw/zinc/12/72/41/524127241.db2.gz FZCDEFXZJPTLER-RDJZCZTQSA-N 1 0 371.510 2.412 50 0 FEAARO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000156963851 524210601 /nfs/dbraw/zinc/21/06/01/524210601.db2.gz BTGNHZSOBCEZEE-MFKMUULPSA-N 1 0 364.389 2.180 50 0 FEAARO Cc1ccc(OCC[N@@H+]2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)cc1C ZINC000077321301 525419209 /nfs/dbraw/zinc/41/92/09/525419209.db2.gz TYUDDZYEHOPMKR-OAQYLSRUSA-N 1 0 360.498 2.379 50 0 FEAARO Cc1ccc(OCCn2ncc(N3CCC[N@@H+](C)CC3)cc2=O)c(C)c1 ZINC000020821644 525427506 /nfs/dbraw/zinc/42/75/06/525427506.db2.gz NJPNXFWAZVUNLU-UHFFFAOYSA-N 1 0 356.470 2.081 50 0 FEAARO CSCCC[NH+]1CCC2(CCN(Cc3nc(C)c[nH]3)C[C@@H]2CO)CC1 ZINC000097815464 525446163 /nfs/dbraw/zinc/44/61/63/525446163.db2.gz GEQPZZLSLISCMM-QGZVFWFLSA-N 1 0 366.575 2.368 50 0 FEAARO Cc1c(C(=O)N2CCC(Oc3ccccc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000151709880 525570540 /nfs/dbraw/zinc/57/05/40/525570540.db2.gz NVQKYXWGNQKXRT-UHFFFAOYSA-N 1 0 369.469 2.195 50 0 FEAARO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000252452655 525949108 /nfs/dbraw/zinc/94/91/08/525949108.db2.gz UJDOSTDOCAAGFC-MAUKXSAKSA-N 1 0 350.434 2.306 50 0 FEAARO OC[C@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000091645870 527619626 /nfs/dbraw/zinc/61/96/26/527619626.db2.gz XDXGTUKZISHYJQ-QZTJIDSGSA-N 1 0 358.461 2.352 50 0 FEAARO FC(F)(F)c1cccc(OCCOCC[NH2+]CCN2CCOCC2)c1 ZINC000020482219 527686470 /nfs/dbraw/zinc/68/64/70/527686470.db2.gz YHHGFYYKKQVAFK-UHFFFAOYSA-N 1 0 362.392 2.023 50 0 FEAARO CC(C)CC(=O)Nc1nc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000040355335 535381377 /nfs/dbraw/zinc/38/13/77/535381377.db2.gz CQTLECQWLAZMQI-UHFFFAOYSA-N 1 0 373.482 2.485 50 0 FEAARO Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183663312 547697319 /nfs/dbraw/zinc/69/73/19/547697319.db2.gz FTQRJISTJJQHNW-QGZVFWFLSA-N 1 0 369.469 2.367 50 0 FEAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccc(OCCn3ccnc3)cc1)C2 ZINC000215112505 548668500 /nfs/dbraw/zinc/66/85/00/548668500.db2.gz WBPQZNMGRNJUIU-MSOLQXFVSA-N 1 0 354.454 2.063 50 0 FEAARO Cc1nccc(-c2ccccc2)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000215038058 548668758 /nfs/dbraw/zinc/66/87/58/548668758.db2.gz PDPRCQBIJINHEX-UHFFFAOYSA-N 1 0 352.482 2.424 50 0 FEAARO c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc(OCCCN2CCOCC2)c1 ZINC000215133492 548670010 /nfs/dbraw/zinc/67/00/10/548670010.db2.gz RTGROBDWYYWBBZ-OAQYLSRUSA-N 1 0 373.541 2.458 50 0 FEAARO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCCCn2ccnc2)cc1 ZINC000215645690 548672652 /nfs/dbraw/zinc/67/26/52/548672652.db2.gz VFZHWYRONOBDTQ-LJQANCHMSA-N 1 0 356.470 2.453 50 0 FEAARO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCCn2ccnc2)cc1 ZINC000215645643 548673543 /nfs/dbraw/zinc/67/35/43/548673543.db2.gz VFZHWYRONOBDTQ-IBGZPJMESA-N 1 0 356.470 2.453 50 0 FEAARO O=C(NCC1(CN2CCOCC2)CC1)c1cc(-n2cccn2)ccc1Cl ZINC000215899479 548674762 /nfs/dbraw/zinc/67/47/62/548674762.db2.gz ALCJWJRDLSMYIR-UHFFFAOYSA-N 1 0 374.872 2.368 50 0 FEAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCc4nc(C)[nH]c(=O)c4CC3)c2)n1 ZINC000216249160 548676174 /nfs/dbraw/zinc/67/61/74/548676174.db2.gz VIFHDCBHRVRYNI-UHFFFAOYSA-N 1 0 363.465 2.482 50 0 FEAARO COc1c(F)cccc1CN1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000218864752 548690013 /nfs/dbraw/zinc/69/00/13/548690013.db2.gz IACPOXMCVLBMLA-GOSISDBHSA-N 1 0 362.449 2.032 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1cc2cc(F)ccc2o1 ZINC000220599556 548700631 /nfs/dbraw/zinc/70/06/31/548700631.db2.gz KOVIZUWDEGNYSP-RHSMWYFYSA-N 1 0 350.390 2.037 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000229526094 548755911 /nfs/dbraw/zinc/75/59/11/548755911.db2.gz FJQHNQMZQRWMAE-UYAOXDASSA-N 1 0 369.509 2.418 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000230207489 548759215 /nfs/dbraw/zinc/75/92/15/548759215.db2.gz MNDPSUHKETTYPN-BQFCYCMXSA-N 1 0 359.470 2.009 50 0 FEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237258830 548812003 /nfs/dbraw/zinc/81/20/03/548812003.db2.gz WLXIXWJBLUVKIU-LLVKDONJSA-N 1 0 364.243 2.115 50 0 FEAARO Cc1ccc(C2(O)CC[NH+](C[C@@H]3Cc4c(nc(C)nc4C)O3)CC2)nc1 ZINC000244817023 548896396 /nfs/dbraw/zinc/89/63/96/548896396.db2.gz SSXWKAIWTOGRMU-INIZCTEOSA-N 1 0 354.454 2.084 50 0 FEAARO CSc1nn2c(nc(CN(C)CC[N@H+](C)C3CCCC3)cc2=O)s1 ZINC000244866664 548897433 /nfs/dbraw/zinc/89/74/33/548897433.db2.gz WAHWBKCMDLUMFC-UHFFFAOYSA-N 1 0 367.544 2.179 50 0 FEAARO Cc1cccc2[nH]c([C@@H]3CCCN(CC(=O)Nc4ccn(C)n4)C3)nc21 ZINC000244874493 548897953 /nfs/dbraw/zinc/89/79/53/548897953.db2.gz XCHMZQQUQRQKSP-CQSZACIVSA-N 1 0 352.442 2.423 50 0 FEAARO COc1cccc(N2CCN(C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000252510561 549671370 /nfs/dbraw/zinc/67/13/70/549671370.db2.gz ZNSBQXNPMGDSNE-NRFANRHFSA-N 1 0 359.514 2.461 50 0 FEAARO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccccc1Br ZINC000253425418 549688516 /nfs/dbraw/zinc/68/85/16/549688516.db2.gz TVPGRTUZBHUPLZ-UHFFFAOYSA-N 1 0 357.296 2.454 50 0 FEAARO CCOCC(=O)N1CCC2(CC1)[NH2+]CCc1c3cc(OC)ccc3[nH]c12 ZINC000257176865 549711670 /nfs/dbraw/zinc/71/16/70/549711670.db2.gz ASWXGDBBNIIUSU-UHFFFAOYSA-N 1 0 357.454 2.176 50 0 FEAARO COc1cccc(CN2CCOCCNC(=O)[C@H]3CCCC[C@H]32)c1OC ZINC000257191053 549714343 /nfs/dbraw/zinc/71/43/43/549714343.db2.gz PHXOSVCYNKAICX-DLBZAZTESA-N 1 0 362.470 2.211 50 0 FEAARO CCC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299757198 553610927 /nfs/dbraw/zinc/61/09/27/553610927.db2.gz IZMNENIFERQQME-GOSISDBHSA-N 1 0 350.434 2.306 50 0 FEAARO CCCc1ncncc1C(=O)N1CCCC[C@@H]1CCN1CC[NH+](C)CC1 ZINC000299758292 553611041 /nfs/dbraw/zinc/61/10/41/553611041.db2.gz OAAZOQPTVZGIRB-QGZVFWFLSA-N 1 0 359.518 2.061 50 0 FEAARO CC[NH+]1CCN(CC(=O)N[C@H](c2ccncc2)c2ccccc2C)CC1 ZINC000299769625 553612617 /nfs/dbraw/zinc/61/26/17/553612617.db2.gz SQCNHDPTDRXGEV-OAQYLSRUSA-N 1 0 352.482 2.233 50 0 FEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000299780688 553613627 /nfs/dbraw/zinc/61/36/27/553613627.db2.gz CGYINXRKJJSUDZ-GFCCVEGCSA-N 1 0 371.384 2.488 50 0 FEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NC[C@H](O)c1ccc(O)cc1 ZINC000299783728 553614284 /nfs/dbraw/zinc/61/42/84/553614284.db2.gz WZDJKMPVDUGREN-INIZCTEOSA-N 1 0 364.829 2.237 50 0 FEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1cccc(-c2ccncc2F)c1 ZINC000299788655 553614549 /nfs/dbraw/zinc/61/45/49/553614549.db2.gz ZBVYSBVPGZNCIB-OALUTQOASA-N 1 0 355.413 2.481 50 0 FEAARO O=C(CN1CCCCCC1=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000299793445 553614955 /nfs/dbraw/zinc/61/49/55/553614955.db2.gz ISTDLXUEAWHRPT-HXUWFJFHSA-N 1 0 369.509 2.091 50 0 FEAARO COc1cc(-c2cccc(C(=O)NCC[C@H]3CCC[N@@H+]3C)c2)nc(OC)n1 ZINC000299789661 553615234 /nfs/dbraw/zinc/61/52/34/553615234.db2.gz ZPLJHFJAQZAXDB-MRXNPFEDSA-N 1 0 370.453 2.375 50 0 FEAARO Cc1nc(-c2ccc(NC(=O)NCC3([NH+](C)C)CCOCC3)cc2)n[nH]1 ZINC000299793889 553615769 /nfs/dbraw/zinc/61/57/69/553615769.db2.gz HZUPOMIHYPTEME-UHFFFAOYSA-N 1 0 358.446 2.012 50 0 FEAARO C[C@H]1Cc2cc(C(=O)NCC3([NH+]4CCN(C)CC4)CCCC3)ccc2O1 ZINC000299798060 553616212 /nfs/dbraw/zinc/61/62/12/553616212.db2.gz UHCDVISHVOZDFP-INIZCTEOSA-N 1 0 357.498 2.300 50 0 FEAARO Cn1cc(SCC(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c2ccccc21 ZINC000299798520 553616371 /nfs/dbraw/zinc/61/63/71/553616371.db2.gz SUMVAXWQGIPYTP-HNNXBMFYSA-N 1 0 361.511 2.307 50 0 FEAARO Cc1cc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)n(Cc2ccccc2)n1 ZINC000299797970 553616486 /nfs/dbraw/zinc/61/64/86/553616486.db2.gz PBQOLJKWGXKUKO-ROUUACIJSA-N 1 0 369.469 2.225 50 0 FEAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000328596005 553794413 /nfs/dbraw/zinc/79/44/13/553794413.db2.gz NFNGSXBYVSJVAS-YUELXQCFSA-N 1 0 353.260 2.476 50 0 FEAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426486428 559735601 /nfs/dbraw/zinc/73/56/01/559735601.db2.gz QGPVAPALBWASJC-QGZVFWFLSA-N 1 0 372.517 2.403 50 0 FEAARO COc1ccc(C(=O)N[C@H](C)c2nncn2C2CCCC2)cc1OCC[NH3+] ZINC000426491619 559735742 /nfs/dbraw/zinc/73/57/42/559735742.db2.gz ZUPJVEKVQHTIQW-CYBMUJFWSA-N 1 0 373.457 2.230 50 0 FEAARO CCN(Cc1noc(C2CCC2)n1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426496789 559735945 /nfs/dbraw/zinc/73/59/45/559735945.db2.gz FEOXYPPVEASANZ-OAHLLOKOSA-N 1 0 372.473 2.049 50 0 FEAARO CCc1cc(N2CCC[C@H](c3ccn(CCO)n3)C2)nc(N2CCCC2)[nH+]1 ZINC000426563264 559737807 /nfs/dbraw/zinc/73/78/07/559737807.db2.gz YLBNDRAXEGPUCX-INIZCTEOSA-N 1 0 370.501 2.212 50 0 FEAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3ccccc3Cn3cccn3)C2)n1 ZINC000426578887 559738228 /nfs/dbraw/zinc/73/82/28/559738228.db2.gz WXXBKMLRYJOTKN-HXUWFJFHSA-N 1 0 365.481 2.500 50 0 FEAARO O=C(NCc1nnnn1-c1ccccc1)C1([NH+]2CCCCC2)CCCCC1 ZINC000426640543 559739430 /nfs/dbraw/zinc/73/94/30/559739430.db2.gz SIXPMHQAEZLDNO-UHFFFAOYSA-N 1 0 368.485 2.467 50 0 FEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCN(Cc2ccco2)CC1 ZINC000426737402 559741134 /nfs/dbraw/zinc/74/11/34/559741134.db2.gz MKVIHODWRAFGDD-UHFFFAOYSA-N 1 0 361.417 2.104 50 0 FEAARO C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nnc2n1CCCC2 ZINC000527825573 562305257 /nfs/dbraw/zinc/30/52/57/562305257.db2.gz XIGTWXYSUBYTDU-GOEBONIOSA-N 1 0 360.506 2.382 50 0 FEAARO Cc1ccccc1[C@@H](CNC(=O)N1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000534634294 562538753 /nfs/dbraw/zinc/53/87/53/562538753.db2.gz XMKNMHMPAFGDKK-LJQANCHMSA-N 1 0 372.513 2.300 50 0 FEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1CCC(F)(F)CC1 ZINC000534650443 562539247 /nfs/dbraw/zinc/53/92/47/562539247.db2.gz KUPIASWFKXMTQW-UHFFFAOYSA-N 1 0 366.456 2.245 50 0 FEAARO COC(=O)c1nn(C)cc1-c1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000534669160 562540023 /nfs/dbraw/zinc/54/00/23/562540023.db2.gz QEMSWMJTFVPGOG-UHFFFAOYSA-N 1 0 370.453 2.040 50 0 FEAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426434865 570605028 /nfs/dbraw/zinc/60/50/28/570605028.db2.gz PMVSSQNSDHLZJG-OAHLLOKOSA-N 1 0 370.501 2.001 50 0 FEAARO COc1ccc(C[NH+]2CCC(NC(=O)Nc3nncs3)CC2)cc1F ZINC000047320396 570885807 /nfs/dbraw/zinc/88/58/07/570885807.db2.gz UUKPYDYXJKTONM-UHFFFAOYSA-N 1 0 365.434 2.472 50 0 FEAARO O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048333519 570947017 /nfs/dbraw/zinc/94/70/17/570947017.db2.gz FEMMNVIMHSMLMT-GOSISDBHSA-N 1 0 364.873 2.214 50 0 FEAARO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C(=O)N1CCc2ccccc21 ZINC000083927591 571060541 /nfs/dbraw/zinc/06/05/41/571060541.db2.gz LBRPZIHSAFXTEH-WMZOPIPTSA-N 1 0 370.497 2.234 50 0 FEAARO O=S(=O)(/C=C/c1ccccc1)NCC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000575617102 571169896 /nfs/dbraw/zinc/16/98/96/571169896.db2.gz YRAUXASTKRZOHD-FUNAXGEOSA-N 1 0 350.484 2.078 50 0 FEAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)c1cc(F)ccc1OCC[NH3+] ZINC000426361060 571215364 /nfs/dbraw/zinc/21/53/64/571215364.db2.gz DBTUFIOZLPXVBH-UHFFFAOYSA-N 1 0 360.433 2.427 50 0 FEAARO Cc1nnc(CNC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)o1 ZINC000426420274 571222857 /nfs/dbraw/zinc/22/28/57/571222857.db2.gz UZETUIFUMPRAHQ-UHFFFAOYSA-N 1 0 357.458 2.228 50 0 FEAARO CO[C@]12CC[N@H+](Cc3coc4ccccc4c3=O)[C@H]1C[C@H](OCCO)CC2 ZINC000426431843 571224824 /nfs/dbraw/zinc/22/48/24/571224824.db2.gz LKGGNCCWFQARHA-LKUPVBHCSA-N 1 0 373.449 2.314 50 0 FEAARO CCC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2nc(-c3ccncc3)no2)C1 ZINC000426474245 571227219 /nfs/dbraw/zinc/22/72/19/571227219.db2.gz KLFMQQBRVZXABU-HNNXBMFYSA-N 1 0 358.446 2.147 50 0 FEAARO Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)sc1C ZINC000012714480 670003365 /nfs/dbraw/zinc/00/33/65/670003365.db2.gz JVBLGGXJPLRXHO-MRXNPFEDSA-N 1 0 364.559 2.225 50 0 FEAARO Cc1ncsc1CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000014954525 670009583 /nfs/dbraw/zinc/00/95/83/670009583.db2.gz BPSCAUKOMJQICC-INIZCTEOSA-N 1 0 364.559 2.307 50 0 FEAARO C[NH+]1CCN(CCC2N=NC(=S)N2c2cccc(C(F)(F)F)c2)CC1 ZINC000022942910 670045498 /nfs/dbraw/zinc/04/54/98/670045498.db2.gz VJWUYALWISXXIV-UHFFFAOYSA-N 1 0 371.432 2.365 50 0 FEAARO O=C(NCCN1CCNC1=O)c1ccc([C@H]2CCC[N@@H+]2C2CCC2)s1 ZINC000023311497 670047603 /nfs/dbraw/zinc/04/76/03/670047603.db2.gz BPEGXMJAKJTAGQ-CQSZACIVSA-N 1 0 362.499 2.193 50 0 FEAARO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1F ZINC000173177197 672348478 /nfs/dbraw/zinc/34/84/78/672348478.db2.gz DTKFDDXAMTWLRZ-NSHDSACASA-N 1 0 351.813 2.050 50 0 FEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@H]1CC(=O)OC12CCCC2 ZINC000952970240 681793133 /nfs/dbraw/zinc/79/31/33/681793133.db2.gz LNLFLQQXGVLJHN-MRXNPFEDSA-N 1 0 366.527 2.339 50 0 FEAARO Cc1cc(C)c(S(=O)(=O)N(C)CC[N@H+](C)C2CCCC2)c2nonc21 ZINC000952967075 681793310 /nfs/dbraw/zinc/79/33/10/681793310.db2.gz IKXIUUDPNIGYJB-UHFFFAOYSA-N 1 0 366.487 2.335 50 0 FEAARO CCCOc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)cc1Cl ZINC000952975102 681793755 /nfs/dbraw/zinc/79/37/55/681793755.db2.gz RTBQETHELITOFZ-LBPRGKRZSA-N 1 0 353.850 2.265 50 0 FEAARO O=C(NCC1CC[NH+](CCN2CCOCC2)CC1)C1CCCCCC1 ZINC000952972704 681793780 /nfs/dbraw/zinc/79/37/80/681793780.db2.gz HOEWLHBQHMNBEX-UHFFFAOYSA-N 1 0 351.535 2.117 50 0 FEAARO Cc1ccc(N(C[C@@H](O)C[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001814865 539344092 /nfs/dbraw/zinc/34/40/92/539344092.db2.gz HVDDNZRUHMWIMK-SFHVURJKSA-N 1 0 362.495 2.421 50 0 FEAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]C[C@H](O)c3ccccc3)C2=O)cc1 ZINC000003618409 539372413 /nfs/dbraw/zinc/37/24/13/539372413.db2.gz CEVDMHRNDCXSHC-OALUTQOASA-N 1 0 368.433 2.431 50 0 FEAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CN1N=C(c2ccccc2)CCC1=O ZINC000004688097 539390602 /nfs/dbraw/zinc/39/06/02/539390602.db2.gz FWIXGEDYWTULDY-CALCHBBNSA-N 1 0 370.497 2.392 50 0 FEAARO Cc1cc(Br)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000006533348 539429868 /nfs/dbraw/zinc/42/98/68/539429868.db2.gz WGFRHDFWJVFQLS-UHFFFAOYSA-N 1 0 368.260 2.443 50 0 FEAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000008075792 539476106 /nfs/dbraw/zinc/47/61/06/539476106.db2.gz UWAUXVUFQLCIDD-UHFFFAOYSA-N 1 0 362.437 2.188 50 0 FEAARO Cc1cccc(OCC[N@@H+](C)CCC(=O)Nc2sccc2C(N)=O)c1 ZINC000008753180 539491925 /nfs/dbraw/zinc/49/19/25/539491925.db2.gz QBSPSULOXXPSQD-UHFFFAOYSA-N 1 0 361.467 2.495 50 0 FEAARO CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccncc2)C1 ZINC000014540136 539603879 /nfs/dbraw/zinc/60/38/79/539603879.db2.gz BYTHFWJESRCLCJ-WOJBJXKFSA-N 1 0 358.530 2.388 50 0 FEAARO CC[NH+]1CCC(N[C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000014948080 539607632 /nfs/dbraw/zinc/60/76/32/539607632.db2.gz MOZGOJIQAKMVRV-IBGZPJMESA-N 1 0 373.545 2.137 50 0 FEAARO Cc1ccc(CCC(=O)N2CCC(=O)N(CC[NH+]3CCCC3)CC2)cc1 ZINC000014986908 539609595 /nfs/dbraw/zinc/60/95/95/539609595.db2.gz TWOSXBSIXMCSBV-UHFFFAOYSA-N 1 0 357.498 2.084 50 0 FEAARO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)s1 ZINC000015066369 539610878 /nfs/dbraw/zinc/61/08/78/539610878.db2.gz MLBOPNWBQLPXBV-RTBURBONSA-N 1 0 372.538 2.209 50 0 FEAARO CSc1ncccc1C(=O)NCc1cccnc1N1CCC[N@H+](C)CC1 ZINC000015071016 539611714 /nfs/dbraw/zinc/61/17/14/539611714.db2.gz VTLLNJJMANZVNM-UHFFFAOYSA-N 1 0 371.510 2.270 50 0 FEAARO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000016022213 539626834 /nfs/dbraw/zinc/62/68/34/539626834.db2.gz DMKXXMBABNHHDX-FQSKDFRHSA-N 1 0 369.465 2.170 50 0 FEAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccc(F)cc2)cc1)N1CCOCC1 ZINC000017317374 539641219 /nfs/dbraw/zinc/64/12/19/539641219.db2.gz VVLIPLDOPIZPHZ-UHFFFAOYSA-N 1 0 364.442 2.136 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548348 539675889 /nfs/dbraw/zinc/67/58/89/539675889.db2.gz IXTCTVMNUPUTKN-ZFCANOHDSA-N 1 0 373.428 2.002 50 0 FEAARO C[C@@H]1CCc2c(sc3nc(SCC[NH+]4CCCC4)n(N)c(=O)c23)C1 ZINC000019797045 539669931 /nfs/dbraw/zinc/66/99/31/539669931.db2.gz JWIHJQJNIKCKKN-LLVKDONJSA-N 1 0 364.540 2.485 50 0 FEAARO O=C(Nc1nnc(CCc2ccccc2)[nH]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000020203083 539673346 /nfs/dbraw/zinc/67/33/46/539673346.db2.gz ANERULXXXASHLR-MRXNPFEDSA-N 1 0 354.458 2.292 50 0 FEAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1O ZINC000022919523 539702217 /nfs/dbraw/zinc/70/22/17/539702217.db2.gz YWWHDKSKGXJRNK-IBGZPJMESA-N 1 0 356.466 2.470 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)c(C)c1C ZINC000022925966 539702679 /nfs/dbraw/zinc/70/26/79/539702679.db2.gz AKEXEXZXAMWCBM-FQEVSTJZSA-N 1 0 372.513 2.114 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022579784 539696682 /nfs/dbraw/zinc/69/66/82/539696682.db2.gz QVGURQOGBHRKDH-QGZVFWFLSA-N 1 0 359.495 2.475 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)CNC(=O)c1ccccc1)Cc1ccccc1 ZINC000023197522 539709351 /nfs/dbraw/zinc/70/93/51/539709351.db2.gz UNIGNDDPSNVEMT-FQEVSTJZSA-N 1 0 367.493 2.486 50 0 FEAARO Cc1sc2nc([C@@H](C)N3CC[NH+](CC(C)(C)O)CC3)[nH]c(=O)c2c1C ZINC000225538810 209818555 /nfs/dbraw/zinc/81/85/55/209818555.db2.gz MVWPQVCAIZUSDV-GFCCVEGCSA-N 1 0 364.515 2.051 50 0 FEAARO CCCn1c2ccccc2n(CC(=O)NCCC[NH+]2CCC(C)CC2)c1=O ZINC000028069551 539825396 /nfs/dbraw/zinc/82/53/96/539825396.db2.gz KNJRUBVTGDHUKD-UHFFFAOYSA-N 1 0 372.513 2.451 50 0 FEAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000032976372 539961809 /nfs/dbraw/zinc/96/18/09/539961809.db2.gz ATYGTDDSTGSZLQ-OAHLLOKOSA-N 1 0 370.453 2.097 50 0 FEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1sccc1-n1cnnn1 ZINC000040093134 540006467 /nfs/dbraw/zinc/00/64/67/540006467.db2.gz DPUZQHMYLUUUAS-ZDUSSCGKSA-N 1 0 374.495 2.352 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 ZINC000042524597 540064949 /nfs/dbraw/zinc/06/49/49/540064949.db2.gz GFRPRIHLCCFBIN-VIFPVBQESA-N 1 0 353.307 2.131 50 0 FEAARO COCC(=O)Nc1cccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000044109398 540118849 /nfs/dbraw/zinc/11/88/49/540118849.db2.gz CRNBAPDCWSDSGM-UHFFFAOYSA-N 1 0 369.425 2.021 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[NH+]3CCC4(CC3)OCCC[C@@H]4O)cc2c1 ZINC000215447119 209637445 /nfs/dbraw/zinc/63/74/45/209637445.db2.gz DJUIPJGAGQDZJM-SFHVURJKSA-N 1 0 358.438 2.043 50 0 FEAARO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3cccc(O)c3)C2)nc1 ZINC000049421008 540389287 /nfs/dbraw/zinc/38/92/87/540389287.db2.gz UMBWZMNCZRGCSS-KRWDZBQOSA-N 1 0 352.438 2.048 50 0 FEAARO CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)CCCn1cnc2ccccc2c1=O ZINC000055090006 540627106 /nfs/dbraw/zinc/62/71/06/540627106.db2.gz BXJSUWKVWLYPQD-QGZVFWFLSA-N 1 0 370.497 2.367 50 0 FEAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)c(NC(=O)C3CC3)c2)C1 ZINC000055393646 540650367 /nfs/dbraw/zinc/65/03/67/540650367.db2.gz HWOJJRJLWRVUOQ-OAHLLOKOSA-N 1 0 359.470 2.042 50 0 FEAARO C[C@H](C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12)Oc1cccnc1 ZINC000055393137 540650502 /nfs/dbraw/zinc/65/05/02/540650502.db2.gz JIIBTCANHPPLNA-OAHLLOKOSA-N 1 0 352.438 2.469 50 0 FEAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000055401929 540651341 /nfs/dbraw/zinc/65/13/41/540651341.db2.gz KBOSIPKOOZNNNK-HUUCEWRRSA-N 1 0 356.470 2.092 50 0 FEAARO C[C@H]1C[NH+](Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@H](C)O1 ZINC000055869920 540682948 /nfs/dbraw/zinc/68/29/48/540682948.db2.gz YXYSJSRRAMGIAV-STQMWFEESA-N 1 0 359.392 2.386 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000237428491 209348596 /nfs/dbraw/zinc/34/85/96/209348596.db2.gz WOXQFPNKKUOUQA-QWRGUYRKSA-N 1 0 352.378 2.333 50 0 FEAARO C[C@@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)[NH+]1CCC(C)CC1 ZINC000058179255 540831024 /nfs/dbraw/zinc/83/10/24/540831024.db2.gz JJZKTWAJLPAXPL-ZDUSSCGKSA-N 1 0 359.392 2.104 50 0 FEAARO Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)cc1 ZINC000237817195 209354584 /nfs/dbraw/zinc/35/45/84/209354584.db2.gz YIJBECWBPRNGCW-KRWDZBQOSA-N 1 0 358.463 2.142 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000237479760 209350992 /nfs/dbraw/zinc/35/09/92/209350992.db2.gz YFAFVDPKWHXIMY-WDEREUQCSA-N 1 0 352.378 2.333 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C)C1 ZINC000237320229 209345345 /nfs/dbraw/zinc/34/53/45/209345345.db2.gz GSOSJDZIJPSKRG-GFCCVEGCSA-N 1 0 361.305 2.378 50 0 FEAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000237270736 209342154 /nfs/dbraw/zinc/34/21/54/209342154.db2.gz PQVODIMJNJMPIT-LPHOPBHVSA-N 1 0 362.470 2.006 50 0 FEAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)C[C@H]1COc2ccccc2O1 ZINC000046560260 209328177 /nfs/dbraw/zinc/32/81/77/209328177.db2.gz OKXUWCLDOJNOQA-AWEZNQCLSA-N 1 0 352.390 2.054 50 0 FEAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C ZINC000059118162 540863592 /nfs/dbraw/zinc/86/35/92/540863592.db2.gz MAAUFLPFRISMHW-UHFFFAOYSA-N 1 0 374.489 2.116 50 0 FEAARO O[C@@H]1CN(c2nc(-c3ccccc3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000108266951 209284397 /nfs/dbraw/zinc/28/43/97/209284397.db2.gz WYIXTENBERBBMT-SFHVURJKSA-N 1 0 350.422 2.420 50 0 FEAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@H]4CC(=O)N(C)C4)CC3)c2)n1 ZINC000063870018 541190021 /nfs/dbraw/zinc/19/00/21/541190021.db2.gz KOUSDGGWKVNNPX-SFHVURJKSA-N 1 0 365.481 2.241 50 0 FEAARO CCOCCCNC(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065256392 541230436 /nfs/dbraw/zinc/23/04/36/541230436.db2.gz WFRBGXFORYZYTD-IBGZPJMESA-N 1 0 368.481 2.389 50 0 FEAARO Cc1ccsc1[C@H](CNC(=O)c1cc2n(n1)CCCN(C)C2)[NH+](C)C ZINC000065370992 541235311 /nfs/dbraw/zinc/23/53/11/541235311.db2.gz MKFRCXZDINDYJS-INIZCTEOSA-N 1 0 361.515 2.121 50 0 FEAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2nc3ccccc3s2)c1=O ZINC000065385277 541236433 /nfs/dbraw/zinc/23/64/33/541236433.db2.gz KVNIEJXMELJCTC-UHFFFAOYSA-N 1 0 357.483 2.265 50 0 FEAARO CCCO[C@H]1CCCN(C(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)C1 ZINC000065424405 541236865 /nfs/dbraw/zinc/23/68/65/541236865.db2.gz UADPLJAPYCBQRL-KRWDZBQOSA-N 1 0 361.486 2.309 50 0 FEAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccnc1N1CCCC1 ZINC000065478763 541240596 /nfs/dbraw/zinc/24/05/96/541240596.db2.gz CBXHQQSSJQLGMK-AEFFLSMTSA-N 1 0 373.501 2.304 50 0 FEAARO CCOc1cc(Br)c(CC(=O)N2CC[C@H]([NH3+])C2)cc1OCC ZINC000236879035 209249728 /nfs/dbraw/zinc/24/97/28/209249728.db2.gz NKNKMEIGUTZTEE-LBPRGKRZSA-N 1 0 371.275 2.349 50 0 FEAARO O=C([C@H]1[C@@H]2C[N@@H+](Cc3ccccc3-c3ccco3)C[C@@H]21)N1CCOCC1 ZINC000102657536 209239979 /nfs/dbraw/zinc/23/99/79/209239979.db2.gz DYCOGRMQXHTFNH-RUYXUALKSA-N 1 0 352.434 2.483 50 0 FEAARO Cc1cc(C)c(C(=O)N[C@@H](c2nnc3n2CC[NH2+]CC3)C(C)C)c(C)c1 ZINC000067676135 541498049 /nfs/dbraw/zinc/49/80/49/541498049.db2.gz PSLDADPNSFWPTK-GOSISDBHSA-N 1 0 355.486 2.476 50 0 FEAARO CC(C)[C@@H](NC(=O)c1cc2ccccc2o1)c1nnc2n1CC[NH2+]CC2 ZINC000067713594 541503921 /nfs/dbraw/zinc/50/39/21/541503921.db2.gz KQOGVSQKGOUJRX-QGZVFWFLSA-N 1 0 353.426 2.297 50 0 FEAARO Cc1ccc2c(c1)c(C[NH2+]C1CCN(C(=O)[C@@H]3CCCO3)CC1)nn2C ZINC000067713500 541504097 /nfs/dbraw/zinc/50/40/97/541504097.db2.gz WOWOKAZMAQNEFP-IBGZPJMESA-N 1 0 356.470 2.141 50 0 FEAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCC[NH2+]CC2)nc1 ZINC000067712888 541504139 /nfs/dbraw/zinc/50/41/39/541504139.db2.gz KEMWWTCZFLIKEK-UHFFFAOYSA-N 1 0 370.501 2.021 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000067727346 541505820 /nfs/dbraw/zinc/50/58/20/541505820.db2.gz AKLIVWJHGOPUHH-QGZVFWFLSA-N 1 0 365.543 2.187 50 0 FEAARO O=C1N(CC2CCC2)CCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000067783758 541513379 /nfs/dbraw/zinc/51/33/79/541513379.db2.gz BWLLYKOIEGJIQU-OAQYLSRUSA-N 1 0 374.481 2.091 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3cn[nH]c3)C2=O)cc1 ZINC000067757366 541508662 /nfs/dbraw/zinc/50/86/62/541508662.db2.gz JUKXXGBVAGAZNT-OAQYLSRUSA-N 1 0 370.497 2.219 50 0 FEAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067804721 541515230 /nfs/dbraw/zinc/51/52/30/541515230.db2.gz UFTCVPCQOGVDOJ-SFHVURJKSA-N 1 0 364.453 2.076 50 0 FEAARO C1=CCN(c2nc(CC3CC3)nc3c2CC[N@@H+](C2CCOCC2)CC3)C1 ZINC000101137410 209222186 /nfs/dbraw/zinc/22/21/86/209222186.db2.gz GGWWFBOXUYMQGN-UHFFFAOYSA-N 1 0 354.498 2.385 50 0 FEAARO COc1ccc(N2C(=O)C[C@@H](N3CCC([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000100778704 209217518 /nfs/dbraw/zinc/21/75/18/209217518.db2.gz RPINARXRRDJANH-LJQANCHMSA-N 1 0 371.481 2.277 50 0 FEAARO CC(C)([NH3+])C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000067909655 541527694 /nfs/dbraw/zinc/52/76/94/541527694.db2.gz AYJYBFZDRAPFRL-UHFFFAOYSA-N 1 0 373.432 2.175 50 0 FEAARO COc1ccc(NC(=O)NCCNc2cc[nH+]cc2C)cc1C(=O)N(C)C ZINC000097660377 209191242 /nfs/dbraw/zinc/19/12/42/209191242.db2.gz OZIPNTJUAQLMJT-UHFFFAOYSA-N 1 0 371.441 2.334 50 0 FEAARO COc1cc(NC(=O)N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)ccc1C ZINC000097551393 209185410 /nfs/dbraw/zinc/18/54/10/209185410.db2.gz GREWWWTZLIUCBP-KRWDZBQOSA-N 1 0 360.502 2.495 50 0 FEAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(-c2ccccc2)o1 ZINC000097425677 209182195 /nfs/dbraw/zinc/18/21/95/209182195.db2.gz SKCCUMSRLCAGGO-INIZCTEOSA-N 1 0 355.438 2.182 50 0 FEAARO O=S(=O)(N1CCCC1)N1CCC[N@H+](Cc2cccc3ncccc23)CC1 ZINC000097463686 209181421 /nfs/dbraw/zinc/18/14/21/209181421.db2.gz ZPEXMGVRYDBHEH-UHFFFAOYSA-N 1 0 374.510 2.083 50 0 FEAARO O=C(C[N@H+]1CCCC[C@H]1CCO)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000069249622 541670556 /nfs/dbraw/zinc/67/05/56/541670556.db2.gz SPLMCFBDIXPGGL-IBGZPJMESA-N 1 0 373.497 2.101 50 0 FEAARO Cc1nc2cc(OCc3nc(C(=O)N4C[C@@H]5C[C@H]4C[NH2+]5)co3)ccc2s1 ZINC000071388545 541766686 /nfs/dbraw/zinc/76/66/86/541766686.db2.gz RCVSVWDLRZQZSN-RYUDHWBXSA-N 1 0 370.434 2.358 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)Cn2cncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071708036 541768553 /nfs/dbraw/zinc/76/85/53/541768553.db2.gz ZUNCNTRMMGXSSP-SFHVURJKSA-N 1 0 359.449 2.176 50 0 FEAARO O=C(NCCF)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071748834 541769456 /nfs/dbraw/zinc/76/94/56/541769456.db2.gz UUALUXQVRWPCPW-LJQANCHMSA-N 1 0 361.505 2.491 50 0 FEAARO O=C(c1cc2ncccn2n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071751417 541770494 /nfs/dbraw/zinc/77/04/94/541770494.db2.gz SYVDLYTYETYVLC-IOMROCGXSA-N 1 0 373.460 2.432 50 0 FEAARO [NH3+][C@@H](CC1CCCC1)C(=O)N1CCc2c(=O)[nH]c(-c3ccccc3)nc2C1 ZINC000071753364 541770705 /nfs/dbraw/zinc/77/07/05/541770705.db2.gz WXMWVPDFAISVAC-KRWDZBQOSA-N 1 0 366.465 2.229 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000071768194 541771976 /nfs/dbraw/zinc/77/19/76/541771976.db2.gz BDCKPRRPWILLLQ-UHFFFAOYSA-N 1 0 354.454 2.114 50 0 FEAARO O=C(c1csc(Cc2ccccc2)n1)N1CC[C@H]2[NH2+]CCC[C@]2(CO)C1 ZINC000072154612 541790918 /nfs/dbraw/zinc/79/09/18/541790918.db2.gz JBLWCYXIAZRKIQ-YLJYHZDGSA-N 1 0 371.506 2.311 50 0 FEAARO Cc1cc(=O)c(C(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000072157797 541791703 /nfs/dbraw/zinc/79/17/03/541791703.db2.gz NDNHXSISCFLBPX-KRWDZBQOSA-N 1 0 351.450 2.045 50 0 FEAARO Nc1nccc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072162846 541792336 /nfs/dbraw/zinc/79/23/36/541792336.db2.gz SGCKXHHQIAHYPY-CGTJXYLNSA-N 1 0 357.408 2.404 50 0 FEAARO CN(CC1CC[NH+](CCO)CC1)c1nc(C2CCCC2)nc2c1cnn2C ZINC000072167820 541795206 /nfs/dbraw/zinc/79/52/06/541795206.db2.gz SZUQQKJZHHLLOH-UHFFFAOYSA-N 1 0 372.517 2.161 50 0 FEAARO Nc1cc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072174089 541795465 /nfs/dbraw/zinc/79/54/65/541795465.db2.gz BRBAGIMRGQTRAN-UPRAQXHNSA-N 1 0 357.408 2.404 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 ZINC000072173848 541796165 /nfs/dbraw/zinc/79/61/65/541796165.db2.gz QBINABLRXXGRGF-CQSZACIVSA-N 1 0 363.469 2.488 50 0 FEAARO COc1ccc2c(C)c(C(=O)N3CCN(C)C4(CC[NH2+]CC4)C3)oc2c1 ZINC000097324080 209179097 /nfs/dbraw/zinc/17/90/97/209179097.db2.gz VQIXOIKCCXDXQN-UHFFFAOYSA-N 1 0 357.454 2.260 50 0 FEAARO Fc1ccc(-c2n[nH]cc2Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)cc1 ZINC000072419895 541808450 /nfs/dbraw/zinc/80/84/50/541808450.db2.gz RZXBLZQCYXEZGU-UHFFFAOYSA-N 1 0 363.400 2.427 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNS(=O)(=O)c2cc(F)ccc2C)n1 ZINC000072437162 541814059 /nfs/dbraw/zinc/81/40/59/541814059.db2.gz DQAJHGYAYUQDEV-UHFFFAOYSA-N 1 0 367.450 2.055 50 0 FEAARO Cc1ccnc([C@@H](Nc2nc(N(C)C)nc3c2CC[NH2+]CC3)C2CC2)c1 ZINC000072440289 541814790 /nfs/dbraw/zinc/81/47/90/541814790.db2.gz AANOLQWQTKAJSJ-SFHVURJKSA-N 1 0 352.486 2.497 50 0 FEAARO CC(C)c1cc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CC[NH2+]C3)no1 ZINC000072458911 541816777 /nfs/dbraw/zinc/81/67/77/541816777.db2.gz DQVOXLQKXYPVCM-QGZVFWFLSA-N 1 0 357.458 2.394 50 0 FEAARO OCC1(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]CC3)CCCC1 ZINC000072462810 541816837 /nfs/dbraw/zinc/81/68/37/541816837.db2.gz YGJKYIQDUNNHSL-UHFFFAOYSA-N 1 0 353.470 2.191 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CN(C)c2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072462948 541816845 /nfs/dbraw/zinc/81/68/45/541816845.db2.gz VTKZGMQPEMPYNA-HNNXBMFYSA-N 1 0 372.517 2.425 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072463533 541817570 /nfs/dbraw/zinc/81/75/70/541817570.db2.gz HJXDWYBCTYVPOQ-NRFANRHFSA-N 1 0 365.481 2.285 50 0 FEAARO O=C1OCCN1c1cccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072469812 541818312 /nfs/dbraw/zinc/81/83/12/541818312.db2.gz UGVYHOSZQLZTDQ-UHFFFAOYSA-N 1 0 364.409 2.186 50 0 FEAARO CN(C)Cc1nnc([C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)n1C ZINC000072473601 541818335 /nfs/dbraw/zinc/81/83/35/541818335.db2.gz HXILXDMLHLPXRL-AWEZNQCLSA-N 1 0 371.514 2.261 50 0 FEAARO Cc1nc[nH]c1C(=O)N1CCn2nc(C[NH+]3CCCCCCC3)cc2C1 ZINC000072480470 541821728 /nfs/dbraw/zinc/82/17/28/541821728.db2.gz MJXPXVUZLFYBIM-UHFFFAOYSA-N 1 0 356.474 2.337 50 0 FEAARO CCOCc1nc2c(c(NCc3cn4ccsc4n3)n1)CC[NH2+]CC2 ZINC000072477689 541820484 /nfs/dbraw/zinc/82/04/84/541820484.db2.gz ZSLJNGBHDSBSAZ-UHFFFAOYSA-N 1 0 358.471 2.023 50 0 FEAARO O=C(c1cnc(-c2cccnc2)nc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097272542 209177001 /nfs/dbraw/zinc/17/70/01/209177001.db2.gz YQVGLQWKUMDRFH-UHFFFAOYSA-N 1 0 369.494 2.192 50 0 FEAARO CCn1nc(CC2CC[NH+](C)CC2)nc1-c1nc2ccccc2n(C)c1=O ZINC000096160814 209127405 /nfs/dbraw/zinc/12/74/05/209127405.db2.gz JNHSKFJOOAQNKQ-UHFFFAOYSA-N 1 0 366.469 2.096 50 0 FEAARO CSCCc1nc(CCN2CCCCC2=O)n(C2CC[NH+](C)CC2)n1 ZINC000096152319 209124995 /nfs/dbraw/zinc/12/49/95/209124995.db2.gz QLTNWSCOGXNDMV-UHFFFAOYSA-N 1 0 365.547 2.005 50 0 FEAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](Cc2[nH]cnc2C)CC1 ZINC000096141636 209120247 /nfs/dbraw/zinc/12/02/47/209120247.db2.gz VKSOPSKGVOYVSG-UHFFFAOYSA-N 1 0 368.489 2.262 50 0 FEAARO Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000096139491 209119943 /nfs/dbraw/zinc/11/99/43/209119943.db2.gz TWZCUXUBMQKNLL-INIZCTEOSA-N 1 0 365.905 2.171 50 0 FEAARO CCn1nc(CC2CC[NH+](C)CC2)nc1CCNC(=O)c1ccc(F)cc1 ZINC000096138168 209118381 /nfs/dbraw/zinc/11/83/81/209118381.db2.gz GINJEZPZYQQUNX-UHFFFAOYSA-N 1 0 373.476 2.294 50 0 FEAARO O=C(NCCC[N@H+]1CCCC[C@@H]1CO)c1cccc(-c2cncnc2)c1 ZINC000299757204 206632441 /nfs/dbraw/zinc/63/24/41/206632441.db2.gz JAEBBGNMWQOASK-LJQANCHMSA-N 1 0 354.454 2.110 50 0 FEAARO COC[C@@H](c1ccccn1)N(C)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299776092 206642791 /nfs/dbraw/zinc/64/27/91/206642791.db2.gz NEFDYBZNJKMCHA-IBGZPJMESA-N 1 0 361.486 2.119 50 0 FEAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000123609719 206673938 /nfs/dbraw/zinc/67/39/38/206673938.db2.gz RGMOLRZEGPRXGU-MRVPVSSYSA-N 1 0 373.194 2.190 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000124519817 206674452 /nfs/dbraw/zinc/67/44/52/206674452.db2.gz CEWMYHBUSDGIMM-LLVKDONJSA-N 1 0 363.259 2.377 50 0 FEAARO Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000132350105 206681085 /nfs/dbraw/zinc/68/10/85/206681085.db2.gz WTYKLUMRWNAUJD-CYBMUJFWSA-N 1 0 367.375 2.005 50 0 FEAARO COC(=O)c1cn(C2CC[NH+](Cc3ccccc3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263588507 206795407 /nfs/dbraw/zinc/79/54/07/206795407.db2.gz UYYRFJZOFDQBTF-UHFFFAOYSA-N 1 0 366.421 2.300 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000004711037 207040145 /nfs/dbraw/zinc/04/01/45/207040145.db2.gz XIXZWXSUBKYBAY-AZUAARDMSA-N 1 0 371.525 2.316 50 0 FEAARO CC1(C)CC(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)CC(C)(C)[NH2+]1 ZINC000004727018 207042438 /nfs/dbraw/zinc/04/24/38/207042438.db2.gz MZMDDAQTLLNCJZ-UHFFFAOYSA-N 1 0 364.467 2.381 50 0 FEAARO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2C)ccc1OC ZINC000007059012 207185268 /nfs/dbraw/zinc/18/52/68/207185268.db2.gz FOZYIUKTNZMRLV-MRXNPFEDSA-N 1 0 359.422 2.320 50 0 FEAARO O=C(CCN1CCCCC1=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011770927 207322279 /nfs/dbraw/zinc/32/22/79/207322279.db2.gz KKVLPGLRYCYANM-LJQANCHMSA-N 1 0 357.498 2.212 50 0 FEAARO Cn1ccc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC000011970462 207332291 /nfs/dbraw/zinc/33/22/91/207332291.db2.gz QDDWDPRAMSGFRR-SFHVURJKSA-N 1 0 368.481 2.364 50 0 FEAARO Cc1n[nH]c(C)c1C[N@@H+](C)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000011952091 207332357 /nfs/dbraw/zinc/33/23/57/207332357.db2.gz RNLDSOCTIVGPOB-FQEVSTJZSA-N 1 0 362.518 2.392 50 0 FEAARO CC(=O)NCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011841266 207324955 /nfs/dbraw/zinc/32/49/55/207324955.db2.gz ZJIINDKFLZCPCO-HXUWFJFHSA-N 1 0 359.514 2.492 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2nc(C)c[nH]2)CC1 ZINC000012306055 207357850 /nfs/dbraw/zinc/35/78/50/207357850.db2.gz FLNIVYIXCGGADA-SFHVURJKSA-N 1 0 361.534 2.311 50 0 FEAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000012307763 207359134 /nfs/dbraw/zinc/35/91/34/207359134.db2.gz UANGYNOAUUDFFL-SFHVURJKSA-N 1 0 359.495 2.409 50 0 FEAARO Cc1ccn2cc(CNC(=O)[C@@H]3CCC[N@@H+](C4CCN(C)CC4)C3)nc2c1 ZINC000012444643 207378347 /nfs/dbraw/zinc/37/83/47/207378347.db2.gz BJQUXPPWUNGRRY-QGZVFWFLSA-N 1 0 369.513 2.065 50 0 FEAARO Cc1cnc(CN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)cn1 ZINC000012508603 207385729 /nfs/dbraw/zinc/38/57/29/207385729.db2.gz HYDKABNCARDDNI-SFHVURJKSA-N 1 0 372.444 2.474 50 0 FEAARO CC(C)C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)N3CCCCC3)C2)CC1 ZINC000012711617 207409640 /nfs/dbraw/zinc/40/96/40/207409640.db2.gz NYPPMAMTNYMLDI-GOSISDBHSA-N 1 0 357.564 2.407 50 0 FEAARO Cc1cccc(C(=O)NCCC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000012918072 207435242 /nfs/dbraw/zinc/43/52/42/207435242.db2.gz QXLNZTVTPUVSED-HXUWFJFHSA-N 1 0 367.493 2.404 50 0 FEAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)N1CCOCC1 ZINC000014981207 207535424 /nfs/dbraw/zinc/53/54/24/207535424.db2.gz PWBJMYOTYUJLGD-QGZVFWFLSA-N 1 0 374.481 2.309 50 0 FEAARO Cc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c2cc(O)ccc2n1C ZINC000077284677 542361446 /nfs/dbraw/zinc/36/14/46/542361446.db2.gz JZOSXIWFZAKPBA-UHFFFAOYSA-N 1 0 371.481 2.377 50 0 FEAARO Cc1cc(-c2nnc(CCC(=O)N(C)C[C@@H](C)C[NH+]3CCCC3)o2)no1 ZINC000019222767 207651207 /nfs/dbraw/zinc/65/12/07/207651207.db2.gz IKWAAOUNQFCDOT-CYBMUJFWSA-N 1 0 361.446 2.156 50 0 FEAARO COc1ccc(Cl)cc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000019872426 207714147 /nfs/dbraw/zinc/71/41/47/207714147.db2.gz MEBJPYOZQQKOPN-UHFFFAOYSA-N 1 0 354.859 2.328 50 0 FEAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000032594114 208032517 /nfs/dbraw/zinc/03/25/17/208032517.db2.gz VICAPRZGFCCPNK-OAHLLOKOSA-N 1 0 372.469 2.106 50 0 FEAARO NC(=O)NCc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000032747937 208039004 /nfs/dbraw/zinc/03/90/04/208039004.db2.gz MOTRUUOFNBULCP-KRWDZBQOSA-N 1 0 370.453 2.405 50 0 FEAARO CCn1c2ccccc2nc(SCC(=O)NCCC[NH+]2CCCC2)c1=O ZINC000033259818 208079395 /nfs/dbraw/zinc/07/93/95/208079395.db2.gz GOKLVJYRKGZLDF-UHFFFAOYSA-N 1 0 374.510 2.111 50 0 FEAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCC[C@H]2[C@@H]1N1CCOCC1 ZINC000035939834 208137388 /nfs/dbraw/zinc/13/73/88/208137388.db2.gz DDVCADSEIQHMPX-NBHGPNQESA-N 1 0 368.481 2.208 50 0 FEAARO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000036616166 208165217 /nfs/dbraw/zinc/16/52/17/208165217.db2.gz XBMRLBGQIULMKX-CQSZACIVSA-N 1 0 365.437 2.457 50 0 FEAARO Cc1c(C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C ZINC000040087730 208223773 /nfs/dbraw/zinc/22/37/73/208223773.db2.gz ZFFYGRZJMZFBPZ-GASCZTMLSA-N 1 0 356.470 2.268 50 0 FEAARO O=C(NCC[NH+]1CCCCCC1)c1nc(N2CCCC2)ncc1Cl ZINC000040141974 208234705 /nfs/dbraw/zinc/23/47/05/208234705.db2.gz BSSKHYHYRLUBCY-UHFFFAOYSA-N 1 0 351.882 2.336 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000043730386 208307437 /nfs/dbraw/zinc/30/74/37/208307437.db2.gz OJJVXOQKRGGSGH-NWZZKEMCSA-N 1 0 369.465 2.172 50 0 FEAARO CC(C)C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2Cl)CC1 ZINC000042379871 208290409 /nfs/dbraw/zinc/29/04/09/208290409.db2.gz GXFVTUDDCCKARR-UHFFFAOYSA-N 1 0 369.868 2.399 50 0 FEAARO CCn1c2ccccc2n(CC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1=O ZINC000048287003 208395819 /nfs/dbraw/zinc/39/58/19/208395819.db2.gz KBBFKPTVLPRTQW-UHFFFAOYSA-N 1 0 358.486 2.202 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000058413303 208583872 /nfs/dbraw/zinc/58/38/72/208583872.db2.gz CAZAUWBHRJFYJS-GOSISDBHSA-N 1 0 364.449 2.288 50 0 FEAARO O=C(C1CC1)N1CCc2c(ncnc2NCCC23CCC[NH+]2CCC3)C1 ZINC000071763006 208778782 /nfs/dbraw/zinc/77/87/82/208778782.db2.gz XJJQDXDSNSLDQO-UHFFFAOYSA-N 1 0 355.486 2.202 50 0 FEAARO Cc1nn(CC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCC2)c(=O)c2ccccc12 ZINC000072129250 208803251 /nfs/dbraw/zinc/80/32/51/208803251.db2.gz VVJNFQNHVOIMBB-MOPGFXCFSA-N 1 0 368.481 2.274 50 0 FEAARO Cc1cc(N2CCCN(C(=O)[C@@H](O)COc3ccccc3C)CC2)cc[nH+]1 ZINC000077457035 208909961 /nfs/dbraw/zinc/90/99/61/208909961.db2.gz GWRQXFBWJGXTCF-IBGZPJMESA-N 1 0 369.465 2.177 50 0 FEAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000091452316 208976606 /nfs/dbraw/zinc/97/66/06/208976606.db2.gz VUIWBDVZSWQRMQ-UHFFFAOYSA-N 1 0 358.490 2.210 50 0 FEAARO CCOc1cccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)c1 ZINC000091849020 209000939 /nfs/dbraw/zinc/00/09/39/209000939.db2.gz SSUIDBUQZDZTJV-UHFFFAOYSA-N 1 0 354.454 2.428 50 0 FEAARO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000091894254 209004305 /nfs/dbraw/zinc/00/43/05/209004305.db2.gz IYNBZTAXAQOGSA-SFHVURJKSA-N 1 0 362.481 2.407 50 0 FEAARO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccccc32)CC[C@@]1(O)C1CCOCC1 ZINC000091985673 209008932 /nfs/dbraw/zinc/00/89/32/209008932.db2.gz FCWDIMVQXCKCHZ-IERDGZPVSA-N 1 0 358.482 2.075 50 0 FEAARO O=C1CCC2(CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CN1CCO ZINC000092001441 209010918 /nfs/dbraw/zinc/01/09/18/209010918.db2.gz ZWNNNXVPLZBRLE-UHFFFAOYSA-N 1 0 368.424 2.485 50 0 FEAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000092077828 209016410 /nfs/dbraw/zinc/01/64/10/209016410.db2.gz DCOQEAICDWMTBP-XACAWQSSSA-N 1 0 356.470 2.132 50 0 FEAARO Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000092081539 209016790 /nfs/dbraw/zinc/01/67/90/209016790.db2.gz ZMDFIZPADNSFOM-PKOBYXMFSA-N 1 0 367.497 2.477 50 0 FEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCCN(c2ncccn2)CC1 ZINC000095355593 209024417 /nfs/dbraw/zinc/02/44/17/209024417.db2.gz LEXSUCUGSFYIEU-KRWDZBQOSA-N 1 0 369.469 2.021 50 0 FEAARO CN(C)[C@@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095358617 209026486 /nfs/dbraw/zinc/02/64/86/209026486.db2.gz UALXEKIKIFRKNI-GOSISDBHSA-N 1 0 365.518 2.468 50 0 FEAARO O=C(c1cccc2nccnc21)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095356959 209026793 /nfs/dbraw/zinc/02/67/93/209026793.db2.gz TWAREWWKPUATCA-DOTOQJQBSA-N 1 0 366.465 2.345 50 0 FEAARO O=C(CCCc1cn[nH]c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095363210 209028740 /nfs/dbraw/zinc/02/87/40/209028740.db2.gz YPFKZUVRKLHQGE-PKOBYXMFSA-N 1 0 353.470 2.250 50 0 FEAARO CCn1ncc(Cl)c1C(=O)N[C@H]1C[N@H+](CCCOC)C[C@@H]1C1CC1 ZINC000092062404 209015492 /nfs/dbraw/zinc/01/54/92/209015492.db2.gz MODDGNPJALZTEV-HIFRSBDPSA-N 1 0 354.882 2.033 50 0 FEAARO CCN1CC[C@]2(CN(C(=O)N(C)c3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000095387021 209044274 /nfs/dbraw/zinc/04/42/74/209044274.db2.gz YYKPQVUOBOOGLK-FQEVSTJZSA-N 1 0 358.486 2.261 50 0 FEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000095389547 209045732 /nfs/dbraw/zinc/04/57/32/209045732.db2.gz JUKUINYDKQURSG-LJQANCHMSA-N 1 0 372.469 2.006 50 0 FEAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1cn3ccc(C)cc3n1)CC2 ZINC000095365754 209031513 /nfs/dbraw/zinc/03/15/13/209031513.db2.gz DERZRHSTXPVTDP-UHFFFAOYSA-N 1 0 370.497 2.494 50 0 FEAARO Cc1ccc(O)c(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095367078 209031819 /nfs/dbraw/zinc/03/18/19/209031819.db2.gz CWSSKMDEHQUNLY-MRXNPFEDSA-N 1 0 356.470 2.479 50 0 FEAARO Cc1cc(N2CCCN(C(=O)[C@H]3Cc4ccccc4CN3C)CC2)cc[nH+]1 ZINC000095368478 209033762 /nfs/dbraw/zinc/03/37/62/209033762.db2.gz RWKRCKSTTUIZMH-OAQYLSRUSA-N 1 0 364.493 2.485 50 0 FEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(CCn2cccc2)CC1 ZINC000095370001 209034012 /nfs/dbraw/zinc/03/40/12/209034012.db2.gz VDCAMMQKRSBBMJ-IBGZPJMESA-N 1 0 370.497 2.138 50 0 FEAARO CC(C)[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1NS(=O)(=O)N(C)C ZINC000095380730 209040283 /nfs/dbraw/zinc/04/02/83/209040283.db2.gz JDJHWXIFMAXOBD-DOTOQJQBSA-N 1 0 362.499 2.092 50 0 FEAARO O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384974 209042038 /nfs/dbraw/zinc/04/20/38/209042038.db2.gz ZUGYCWXJZKZAFA-HNNXBMFYSA-N 1 0 356.470 2.113 50 0 FEAARO c1ccc([C@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)c2ccccn2)cc1 ZINC000095466203 209055660 /nfs/dbraw/zinc/05/56/60/209055660.db2.gz RQAHSMVLVHZAIK-HJNYFJLDSA-N 1 0 367.493 2.498 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000095499621 209061942 /nfs/dbraw/zinc/06/19/42/209061942.db2.gz WEVIINXDASAMPI-HNNXBMFYSA-N 1 0 359.449 2.389 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000095500095 209062352 /nfs/dbraw/zinc/06/23/52/209062352.db2.gz HCRARIAGGLOILX-MAUKXSAKSA-N 1 0 372.444 2.285 50 0 FEAARO COCCc1nc(Cc2ccc(N(C)C)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000095501935 209063958 /nfs/dbraw/zinc/06/39/58/209063958.db2.gz OOHLESIPTRKCLK-UHFFFAOYSA-N 1 0 357.502 2.391 50 0 FEAARO C[N@H+](CCN1CCO[C@@H]2CCCC[C@@H]21)CCN1CCO[C@H]2CCCC[C@@H]21 ZINC000095972761 209091393 /nfs/dbraw/zinc/09/13/93/209091393.db2.gz MARNIHIDPVBCJS-XSDIEEQYSA-N 1 0 365.562 2.205 50 0 FEAARO O=C(NCCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1)c1ccc(F)cc1 ZINC000095507743 209066816 /nfs/dbraw/zinc/06/68/16/209066816.db2.gz GPTOMRMYPQNZLY-INIZCTEOSA-N 1 0 373.428 2.177 50 0 FEAARO O=c1oc2ccccc2n1CC[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095521076 209072854 /nfs/dbraw/zinc/07/28/54/209072854.db2.gz LNIKRFCVEXALQM-IIBYNOLFSA-N 1 0 366.417 2.065 50 0 FEAARO O[C@@H]1C[C@H](O)C12CC[NH+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000091985953 132204983 /nfs/dbraw/zinc/20/49/83/132204983.db2.gz QFYOPPOPVHXBGK-HDICACEKSA-N 1 0 352.425 2.141 50 0 FEAARO CCc1ccc(N2C(=O)C[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 ZINC000100750402 132233216 /nfs/dbraw/zinc/23/32/16/132233216.db2.gz YKSSCFGRBCPBAI-SFHVURJKSA-N 1 0 364.449 2.098 50 0 FEAARO Cc1noc2ncnc(N3CC[N@H+](Cc4cccs4)[C@@H](CCO)C3)c12 ZINC000106974263 132240557 /nfs/dbraw/zinc/24/05/57/132240557.db2.gz PYTCFTXFGKTZKC-ZDUSSCGKSA-N 1 0 359.455 2.061 50 0 FEAARO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237485940 132248040 /nfs/dbraw/zinc/24/80/40/132248040.db2.gz QAJSNQHOTRPRPW-VBKZILBWSA-N 1 0 363.477 2.496 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3cc(C(C)C)nc(N)n3)CC2)cc(C)[nH+]1 ZINC000215982124 132270677 /nfs/dbraw/zinc/27/06/77/132270677.db2.gz ARYYQFXKRVYDQW-UHFFFAOYSA-N 1 0 354.458 2.156 50 0 FEAARO COc1cccc(N2CC[N@H+](Cc3cn(CCO)nc3C)CC2(C)C)c1 ZINC000215913697 132270804 /nfs/dbraw/zinc/27/08/04/132270804.db2.gz PEDPFWQMDYPPNQ-UHFFFAOYSA-N 1 0 358.486 2.293 50 0 FEAARO Cc1[nH]c2c(cccc2C[NH+]2CCN(c3cnn(C)c(=O)c3)CC2)c1C ZINC000215798190 132270862 /nfs/dbraw/zinc/27/08/62/132270862.db2.gz QJMBNTFTPGGUHT-UHFFFAOYSA-N 1 0 351.454 2.201 50 0 FEAARO Nc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000219023320 132273677 /nfs/dbraw/zinc/27/36/77/132273677.db2.gz SUIZASNKEQRBEB-UHFFFAOYSA-N 1 0 374.872 2.439 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(C(N)=O)oc1C(C)(C)C)C2 ZINC000091381055 542805749 /nfs/dbraw/zinc/80/57/49/542805749.db2.gz SLJOBIABLPYOJY-GOEBONIOSA-N 1 0 363.502 2.219 50 0 FEAARO Cc1cc(-c2cc(S(=O)(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c(C)s2)n[nH]1 ZINC000091411215 542806321 /nfs/dbraw/zinc/80/63/21/542806321.db2.gz UXGHMRWJCXDMBD-OLZOCXBDSA-N 1 0 366.512 2.113 50 0 FEAARO CCN1CC[C@@]2(CN(c3noc(-c4ccccc4)n3)CC[N@@H+]2C)CCC1=O ZINC000091425591 542806326 /nfs/dbraw/zinc/80/63/26/542806326.db2.gz HRAKHGGYTFAZTK-HXUWFJFHSA-N 1 0 369.469 2.260 50 0 FEAARO CCNC(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091411083 542806554 /nfs/dbraw/zinc/80/65/54/542806554.db2.gz ICLPWMFAQNBNAP-IBGZPJMESA-N 1 0 369.509 2.383 50 0 FEAARO Cc1ccccc1C[NH+]1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000091468805 542809149 /nfs/dbraw/zinc/80/91/49/542809149.db2.gz NOVGEXNRQLAUGO-UHFFFAOYSA-N 1 0 374.510 2.027 50 0 FEAARO O=C1CCC2(CC[NH+](CCCOc3ccc(F)cc3)CC2)CN1CCO ZINC000091550576 542812343 /nfs/dbraw/zinc/81/23/43/542812343.db2.gz WDOODEKJFZSCKM-UHFFFAOYSA-N 1 0 364.461 2.292 50 0 FEAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000058223922 136131189 /nfs/dbraw/zinc/13/11/89/136131189.db2.gz XBEQUFKYYKIRPM-ZHALLVOQSA-N 1 0 372.513 2.396 50 0 FEAARO CCN1C[C@@H](C[N@H+](C)Cc2cc(=O)n3ccccc3n2)Oc2ccccc21 ZINC000058289086 136131383 /nfs/dbraw/zinc/13/13/83/136131383.db2.gz BVENDTPDJZCPOT-QGZVFWFLSA-N 1 0 364.449 2.414 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3nc(C)cc(C4CCC4)n3)CC[C@H]21 ZINC000072435685 136147244 /nfs/dbraw/zinc/14/72/44/136147244.db2.gz YANCMUPILUEFKV-FUHWJXTLSA-N 1 0 357.502 2.089 50 0 FEAARO Cc1noc2ncnc(N3CC[N@H+](Cc4ccc(C)cc4)[C@@H](CCO)C3)c12 ZINC000072459087 136148713 /nfs/dbraw/zinc/14/87/13/136148713.db2.gz FYUHDYHSQLKJSJ-KRWDZBQOSA-N 1 0 367.453 2.308 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3ccnc(C)n3)C[C@@H]2CCO)c(C)c1C ZINC000072470603 136148986 /nfs/dbraw/zinc/14/89/86/136148986.db2.gz HUWDPPUEOFPAKF-IBGZPJMESA-N 1 0 370.497 2.484 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000026913232 136153328 /nfs/dbraw/zinc/15/33/28/136153328.db2.gz FCEVADKSLMUSCG-IBGZPJMESA-N 1 0 365.481 2.352 50 0 FEAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)c1ccoc1 ZINC000096024202 542987486 /nfs/dbraw/zinc/98/74/86/542987486.db2.gz NPZJPLDQTOFLAD-UHFFFAOYSA-N 1 0 366.421 2.015 50 0 FEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000106135218 543206354 /nfs/dbraw/zinc/20/63/54/543206354.db2.gz GBWJUBACLCACNA-UKRRQHHQSA-N 1 0 372.498 2.052 50 0 FEAARO CCc1ccc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000107422568 543270423 /nfs/dbraw/zinc/27/04/23/543270423.db2.gz GCHDQNVWHNCFFG-JOCHJYFZSA-N 1 0 373.541 2.394 50 0 FEAARO O=C(C1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1)N1CCOCC1 ZINC000095525094 209075758 /nfs/dbraw/zinc/07/57/58/209075758.db2.gz KSPJTQJHTRUEAO-QGZVFWFLSA-N 1 0 358.482 2.199 50 0 FEAARO CC(C)C(=O)NCC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095531423 209078706 /nfs/dbraw/zinc/07/87/06/209078706.db2.gz YVXHRGRJPHBWCK-SFHVURJKSA-N 1 0 357.498 2.239 50 0 FEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCc1coc(-c2ccccc2)n1 ZINC000426379616 263568856 /nfs/dbraw/zinc/56/88/56/263568856.db2.gz DQUTVNDPYMUROD-MRXNPFEDSA-N 1 0 365.437 2.322 50 0 FEAARO CN(Cc1cnccn1)C(=O)NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000426633854 263648286 /nfs/dbraw/zinc/64/82/86/263648286.db2.gz INHYNLIYCVBOLX-GOSISDBHSA-N 1 0 353.470 2.498 50 0 FEAARO C[NH+](C)Cc1cc(CNC(=O)[C@H]2COCCN2C2CCCC2)ccc1F ZINC000189022770 328124042 /nfs/dbraw/zinc/12/40/42/328124042.db2.gz PRJMFODMQRVMOR-LJQANCHMSA-N 1 0 363.477 2.147 50 0 FEAARO C[C@@H]1Cc2cc(S(=O)(=O)NCC3(C)CC[NH2+]CC3)cc(Cl)c2O1 ZINC000193373816 328371359 /nfs/dbraw/zinc/37/13/59/328371359.db2.gz JVONZACMWNSKFP-LLVKDONJSA-N 1 0 358.891 2.331 50 0 FEAARO [NH3+]C1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000237828874 328530558 /nfs/dbraw/zinc/53/05/58/328530558.db2.gz QWESBIUXZZMLPO-LJQANCHMSA-N 1 0 351.450 2.498 50 0 FEAARO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)no1 ZINC000171406479 327137605 /nfs/dbraw/zinc/13/76/05/327137605.db2.gz AWOXSIHPTVVAIN-ZDUSSCGKSA-N 1 0 373.844 2.494 50 0 FEAARO C[C@H]([NH3+])CC(=O)N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000261763764 328817504 /nfs/dbraw/zinc/81/75/04/328817504.db2.gz IDJAAIHNYVWQLX-GJZGRUSLSA-N 1 0 353.422 2.438 50 0 FEAARO COc1ccc([C@@H](C)NC(=O)COC2CC[NH2+]CC2)cc1Br ZINC000261819453 328821958 /nfs/dbraw/zinc/82/19/58/328821958.db2.gz AOIGVGNVWSSGTC-LLVKDONJSA-N 1 0 371.275 2.404 50 0 FEAARO CCCCS(=O)(=O)N[C@H]1C[N@H+](Cc2c(C)noc2C)C[C@@H]1C(C)C ZINC000091503590 520940843 /nfs/dbraw/zinc/94/08/43/520940843.db2.gz CKSLSDDAXDUGTC-WBVHZDCISA-N 1 0 357.520 2.467 50 0 FEAARO CCCCn1ccnc1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091625512 521394885 /nfs/dbraw/zinc/39/48/85/521394885.db2.gz NTSBIGWKOGBQCJ-KRWDZBQOSA-N 1 0 362.518 2.358 50 0 FEAARO CCN1C[C@@]2(CCCN(C(=O)CSCC[NH+]3CCCC3)C2)CCC1=O ZINC000082116053 521727513 /nfs/dbraw/zinc/72/75/13/521727513.db2.gz ANSRDVIIINIGEQ-LJQANCHMSA-N 1 0 367.559 2.067 50 0 FEAARO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000252477156 523629808 /nfs/dbraw/zinc/62/98/08/523629808.db2.gz JFJVQXPHDLKODV-HOTGVXAUSA-N 1 0 355.404 2.356 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)on1 ZINC000091680300 524678746 /nfs/dbraw/zinc/67/87/46/524678746.db2.gz ZGLAEOWKQOIRLE-UHFFFAOYSA-N 1 0 371.485 2.474 50 0 FEAARO Cc1cccc(OC2CCN(C(=O)CN(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000082098081 524710901 /nfs/dbraw/zinc/71/09/01/524710901.db2.gz JSZBJVBHZYPKLD-UHFFFAOYSA-N 1 0 359.514 2.391 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000299748132 525015267 /nfs/dbraw/zinc/01/52/67/525015267.db2.gz GEGXJXFHOJBJDR-VIPLHTEESA-N 1 0 359.514 2.430 50 0 FEAARO Cc1ccc(OCC(=O)N2CCC(C[N@H+]3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468259 525379392 /nfs/dbraw/zinc/37/93/92/525379392.db2.gz JDZBJOPSPXUFPG-SFHVURJKSA-N 1 0 359.514 2.248 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)CCc3[nH]nc4c3CCCC4)C[C@@H]2[NH3+])cc1 ZINC000091575267 525420821 /nfs/dbraw/zinc/42/08/21/525420821.db2.gz BCVNUXPXKBIYAJ-MSOLQXFVSA-N 1 0 368.481 2.183 50 0 FEAARO Cc1cccnc1[C@@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)C1CC1 ZINC000244735082 525548774 /nfs/dbraw/zinc/54/87/74/525548774.db2.gz NSUALPDFBILCAH-DAYGRLMNSA-N 1 0 354.458 2.305 50 0 FEAARO Cc1cccnc1[C@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)C1CC1 ZINC000244735083 525553801 /nfs/dbraw/zinc/55/38/01/525553801.db2.gz NSUALPDFBILCAH-RVKKMQEKSA-N 1 0 354.458 2.305 50 0 FEAARO Cc1ccn(CC(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)n1 ZINC000082091249 525598080 /nfs/dbraw/zinc/59/80/80/525598080.db2.gz DKYDDEXOKPYTHR-UHFFFAOYSA-N 1 0 370.501 2.243 50 0 FEAARO CSCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)n1 ZINC000091594247 525771508 /nfs/dbraw/zinc/77/15/08/525771508.db2.gz LVOLZPYDDDOQRM-DZGCQCFKSA-N 1 0 352.504 2.008 50 0 FEAARO O=C(CCCN1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091416440 526435132 /nfs/dbraw/zinc/43/51/32/526435132.db2.gz XDVKTOBHLNEFGN-LEWJYISDSA-N 1 0 371.525 2.222 50 0 FEAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N[C@H]1CC[C@H](n2cnnc2)CC1 ZINC000244872898 526809590 /nfs/dbraw/zinc/80/95/90/526809590.db2.gz WGPOZKXRCGQRCU-FHWLQOOXSA-N 1 0 353.470 2.368 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000178520495 527217705 /nfs/dbraw/zinc/21/77/05/527217705.db2.gz NETKBMGQFCFGNW-HNNXBMFYSA-N 1 0 358.463 2.081 50 0 FEAARO OCCc1cn(CC2CC[NH+](Cc3cccc4ncccc34)CC2)nn1 ZINC000020110085 527574603 /nfs/dbraw/zinc/57/46/03/527574603.db2.gz GNMBTZRGVHUYGN-UHFFFAOYSA-N 1 0 351.454 2.273 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(c3cc(C4CC4)ncn3)C[C@H]2CCO)CC1 ZINC000106996524 535156808 /nfs/dbraw/zinc/15/68/08/535156808.db2.gz HDDPFPCYTNKMCN-LJQANCHMSA-N 1 0 373.545 2.100 50 0 FEAARO CCc1cnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071776438 536056999 /nfs/dbraw/zinc/05/69/99/536056999.db2.gz UGNJBMMYYRFTGI-SFHVURJKSA-N 1 0 371.529 2.342 50 0 FEAARO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C)c(S(C)(=O)=O)c1 ZINC000170607654 546164316 /nfs/dbraw/zinc/16/43/16/546164316.db2.gz CWHSSUWWTKYARN-UHFFFAOYSA-N 1 0 352.500 2.347 50 0 FEAARO C[NH+]1CCN(Cc2cccc(C(=O)NCc3nc4ccccc4[nH]3)c2)CC1 ZINC000170642148 546168252 /nfs/dbraw/zinc/16/82/52/546168252.db2.gz HPFWHFTXRZDSSX-UHFFFAOYSA-N 1 0 363.465 2.240 50 0 FEAARO O=C(NC[C@H]1CCC[NH2+]1)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000178722258 546838782 /nfs/dbraw/zinc/83/87/82/546838782.db2.gz GHGRWASITNGSEI-MRXNPFEDSA-N 1 0 358.463 2.142 50 0 FEAARO Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000194442122 548482785 /nfs/dbraw/zinc/48/27/85/548482785.db2.gz IMZADKMODBUKTB-RBUKOAKNSA-N 1 0 367.497 2.441 50 0 FEAARO Cn1ccn2ncc(C(=O)NCC3CC[NH+](CCc4ccccc4)CC3)c12 ZINC000215448123 548670913 /nfs/dbraw/zinc/67/09/13/548670913.db2.gz VXJFZYIQNYISNS-UHFFFAOYSA-N 1 0 365.481 2.357 50 0 FEAARO CCn1ccc2c1cccc2CN1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000215805708 548675120 /nfs/dbraw/zinc/67/51/20/548675120.db2.gz QPGLIECROJZYST-UHFFFAOYSA-N 1 0 354.498 2.448 50 0 FEAARO Cc1nn(C)c(C)c1CN(CCO)C(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000216430402 548677273 /nfs/dbraw/zinc/67/72/73/548677273.db2.gz ORKNUTQOOCZSDG-IBGZPJMESA-N 1 0 370.497 2.139 50 0 FEAARO O=C1CC[C@@H](CN(Cc2cnc(-c3ccccn3)nc2)Cc2ccccn2)N1 ZINC000216426367 548677753 /nfs/dbraw/zinc/67/77/53/548677753.db2.gz HLWUUZRHNXOMGC-SFHVURJKSA-N 1 0 374.448 2.214 50 0 FEAARO COc1ccc([C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000219752711 548696776 /nfs/dbraw/zinc/69/67/76/548696776.db2.gz ZYZCCMZRGBADSP-WDYCEAGBSA-N 1 0 361.486 2.139 50 0 FEAARO Cn1c(CN2CCC(OCc3ccccc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000220190144 548699107 /nfs/dbraw/zinc/69/91/07/548699107.db2.gz ZVHYOHWHIRKCRH-CALCHBBNSA-N 1 0 355.486 2.201 50 0 FEAARO CN(C)[C@@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1cccc(F)c1 ZINC000220465143 548700914 /nfs/dbraw/zinc/70/09/14/548700914.db2.gz CDKQYRROVYEDHK-LJQANCHMSA-N 1 0 363.477 2.188 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000222481943 548709263 /nfs/dbraw/zinc/70/92/63/548709263.db2.gz SBJLCFJNSQEQEA-QGZVFWFLSA-N 1 0 350.532 2.483 50 0 FEAARO Cn1cc([C@H](NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C2CC(O)C2)cn1 ZINC000223139784 548715334 /nfs/dbraw/zinc/71/53/34/548715334.db2.gz OTTSLZIVFUVXQR-JFUPDXTOSA-N 1 0 362.518 2.295 50 0 FEAARO O=C(C[NH+]1CCCCCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000223561374 548720595 /nfs/dbraw/zinc/72/05/95/548720595.db2.gz DKKZRPHUVWYWCO-WIXQSORDSA-N 1 0 358.482 2.426 50 0 FEAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000225564086 548737758 /nfs/dbraw/zinc/73/77/58/548737758.db2.gz DKBYHWYDUKLVRF-UHFFFAOYSA-N 1 0 358.529 2.226 50 0 FEAARO CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2nncn2C)CC1 ZINC000243956716 548889463 /nfs/dbraw/zinc/88/94/63/548889463.db2.gz CCNYRCSWOAQXMZ-UHFFFAOYSA-N 1 0 357.458 2.422 50 0 FEAARO O=C(NCc1ccccn1)C1CC[NH+](CCn2cnc3ccccc32)CC1 ZINC000244601870 548890538 /nfs/dbraw/zinc/89/05/38/548890538.db2.gz DTDZPSPQTNXEKU-UHFFFAOYSA-N 1 0 363.465 2.460 50 0 FEAARO [NH3+][C@H]1C[C@H](c2cc(NCCn3nc(-c4ccccc4)ccc3=O)ncn2)C1 ZINC000244724451 548893821 /nfs/dbraw/zinc/89/38/21/548893821.db2.gz MUJACDVEHKZODQ-WKILWMFISA-N 1 0 362.437 2.017 50 0 FEAARO COc1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c2ccccc2n1 ZINC000244719122 548893831 /nfs/dbraw/zinc/89/38/31/548893831.db2.gz LXJNYFRSZZMTIM-ROUUACIJSA-N 1 0 355.438 2.227 50 0 FEAARO Cc1ccc2[nH]c(CNC(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)nc2c1C ZINC000244734458 548893843 /nfs/dbraw/zinc/89/38/43/548893843.db2.gz NFTKMFNVQGPJOH-OAHLLOKOSA-N 1 0 357.502 2.212 50 0 FEAARO CCc1nccn1CCC(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244787660 548894659 /nfs/dbraw/zinc/89/46/59/548894659.db2.gz QBCIFZNGVULSQU-FVJLSDCUSA-N 1 0 369.465 2.399 50 0 FEAARO CCc1nc(C)sc1CNC(=O)[C@@H]1CCCN1C1CC[NH+](C)CC1 ZINC000244852597 548896961 /nfs/dbraw/zinc/89/69/61/548896961.db2.gz UVKDYEMLLRBAIO-INIZCTEOSA-N 1 0 350.532 2.189 50 0 FEAARO O=C(CN1CC[NH+](C2Cc3ccccc3C2)CC1)Nc1ccc(Cl)cn1 ZINC000244884277 548898345 /nfs/dbraw/zinc/89/83/45/548898345.db2.gz YITJLGSPNBDSMN-UHFFFAOYSA-N 1 0 370.884 2.459 50 0 FEAARO Cc1cc(N)n(CC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000244893032 548898363 /nfs/dbraw/zinc/89/83/63/548898363.db2.gz YUBBIOAYIGGBAL-INIZCTEOSA-N 1 0 361.877 2.380 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CN2CCc3ccccc3C2)CC1 ZINC000252481637 549667551 /nfs/dbraw/zinc/66/75/51/549667551.db2.gz CPTMLGPQMKIPHB-UHFFFAOYSA-N 1 0 364.493 2.487 50 0 FEAARO Cc1noc(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4F)C3)C2=O)n1 ZINC000257190350 549714428 /nfs/dbraw/zinc/71/44/28/549714428.db2.gz OOZGYGVWZPPSRZ-HNNXBMFYSA-N 1 0 359.405 2.029 50 0 FEAARO CN(C(=O)c1ncn(C(C)(C)C)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292205819 552704495 /nfs/dbraw/zinc/70/44/95/552704495.db2.gz HTZWFGUGLDWWNZ-UHFFFAOYSA-N 1 0 370.501 2.207 50 0 FEAARO O=C(C[NH+]1CCC(C(=O)NCCc2ccccc2)CC1)N1CCCCCC1 ZINC000299763925 553611750 /nfs/dbraw/zinc/61/17/50/553611750.db2.gz HMBZWEHXQLMQAL-UHFFFAOYSA-N 1 0 371.525 2.460 50 0 FEAARO COCC[NH+]1CCC(CN(C)C(=O)Nc2cccc(-n3cnnc3)c2)CC1 ZINC000299765319 553611849 /nfs/dbraw/zinc/61/18/49/553611849.db2.gz FSLPCXBKXHBQDJ-UHFFFAOYSA-N 1 0 372.473 2.089 50 0 FEAARO COc1ccc(C(=O)NCc2nc3cc(F)ccc3[nH]2)cc1OCCC[NH3+] ZINC000299765669 553612339 /nfs/dbraw/zinc/61/23/39/553612339.db2.gz PRWCWAXWBZDFCK-UHFFFAOYSA-N 1 0 372.400 2.368 50 0 FEAARO O=C(c1cccc(-c2cnccn2)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000299775490 553613409 /nfs/dbraw/zinc/61/34/09/553613409.db2.gz FYZFILDYHPPYFT-QGZVFWFLSA-N 1 0 366.465 2.328 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3nc4ccccc4o3)C2)CC1 ZINC000299786413 553614508 /nfs/dbraw/zinc/61/45/08/553614508.db2.gz XFDBMRYERZHAJE-MRXNPFEDSA-N 1 0 370.497 2.293 50 0 FEAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH2+]CC2)N1CCc1ccccc1 ZINC000299794131 553615902 /nfs/dbraw/zinc/61/59/02/553615902.db2.gz JPROVLOGBAOPAM-UHFFFAOYSA-N 1 0 364.449 2.211 50 0 FEAARO CC1(C)CC([NH2+]Cc2cc3n(n2)CCN(S(C)(=O)=O)C3)CC(C)(C)C1 ZINC000299801368 553616467 /nfs/dbraw/zinc/61/64/67/553616467.db2.gz WREYMLCNKDXFKW-UHFFFAOYSA-N 1 0 368.547 2.353 50 0 FEAARO Cn1ncc2c1nc(N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)nc2N ZINC000328807133 553825114 /nfs/dbraw/zinc/82/51/14/553825114.db2.gz NOMOOVUBLIEONZ-MRXNPFEDSA-N 1 0 365.485 2.658 50 0 FEAARO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O)[NH+]1CCCCC1 ZINC000329208428 553902584 /nfs/dbraw/zinc/90/25/84/553902584.db2.gz XYNXPAGWUUPMQO-SOAMZJECSA-N 1 0 352.519 2.275 50 0 FEAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)NCCc2ccc(O)cc2)CC1 ZINC000426500306 559736165 /nfs/dbraw/zinc/73/61/65/559736165.db2.gz QNPSPKBIFLJNGX-LJQANCHMSA-N 1 0 374.529 2.136 50 0 FEAARO COc1cccc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000426525862 559736894 /nfs/dbraw/zinc/73/68/94/559736894.db2.gz IHLWTFDVUZBXOL-GOSISDBHSA-N 1 0 369.465 2.334 50 0 FEAARO CCn1c(CCNC(=O)CC[C@H](C)[NH+]2CCOCC2)nc2ccccc21 ZINC000426526782 559736972 /nfs/dbraw/zinc/73/69/72/559736972.db2.gz DFQXKDQZEQKGLL-INIZCTEOSA-N 1 0 358.486 2.216 50 0 FEAARO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC000426548370 559737511 /nfs/dbraw/zinc/73/75/11/559737511.db2.gz AXXLDQPQGLCDSW-ZGBFETHSSA-N 1 0 356.514 2.369 50 0 FEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)NCCn2cccn2)CC1 ZINC000426584016 559738433 /nfs/dbraw/zinc/73/84/33/559738433.db2.gz LXUVBTSEBICPFT-UHFFFAOYSA-N 1 0 355.486 2.232 50 0 FEAARO Cc1cccc(=O)n1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000426649819 559739625 /nfs/dbraw/zinc/73/96/25/559739625.db2.gz YHWQSBDMVDGKIK-OAQYLSRUSA-N 1 0 357.498 2.271 50 0 FEAARO CN(CCOc1ccccc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCC1 ZINC000534593353 562537838 /nfs/dbraw/zinc/53/78/38/562537838.db2.gz IEPVXDHGUCBCKT-UHFFFAOYSA-N 1 0 374.529 2.267 50 0 FEAARO COc1ccc(CCCNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000426436760 570605844 /nfs/dbraw/zinc/60/58/44/570605844.db2.gz TYQQFRBVIATCHC-QGZVFWFLSA-N 1 0 356.470 2.108 50 0 FEAARO C[C@@H](NS(=O)(=O)c1sccc1Br)[C@H]1CCCC[NH2+]1 ZINC000583652136 570812607 /nfs/dbraw/zinc/81/26/07/570812607.db2.gz ZGSUHQPQTQSDIP-PSASIEDQSA-N 1 0 353.307 2.320 50 0 FEAARO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(N2CCCNC2=O)c1 ZINC000081412283 570944364 /nfs/dbraw/zinc/94/43/64/570944364.db2.gz LWUUMIPKSAMNHL-MRXNPFEDSA-N 1 0 356.470 2.353 50 0 FEAARO CCc1nnc2cc(N3CC[NH+](Cc4cccc5[nH]ccc54)CC3)cnn21 ZINC000097096491 571093915 /nfs/dbraw/zinc/09/39/15/571093915.db2.gz GWVAJJVPBZVTCF-UHFFFAOYSA-N 1 0 361.453 2.490 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cccc1-c1nnc(C2CCC2)o1 ZINC000035526491 571148484 /nfs/dbraw/zinc/14/84/84/571148484.db2.gz GRICJGZUJCCZEL-HNNXBMFYSA-N 1 0 357.458 2.406 50 0 FEAARO Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000333803398 571203860 /nfs/dbraw/zinc/20/38/60/571203860.db2.gz IEQOGYRGJTXPKB-KSSFIOAISA-N 1 0 357.433 2.319 50 0 FEAARO Cc1nc(CSc2nnc([C@@H]([NH3+])Cc3ccccc3)n2C)cc(=O)[nH]1 ZINC000426399027 571219664 /nfs/dbraw/zinc/21/96/64/571219664.db2.gz LPRGHJUXXREAKM-AWEZNQCLSA-N 1 0 356.455 2.154 50 0 FEAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1 ZINC000426420267 571222887 /nfs/dbraw/zinc/22/28/87/571222887.db2.gz TWYNNTFDTSIPLX-UHFFFAOYSA-N 1 0 356.426 2.161 50 0 FEAARO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000585139997 571231989 /nfs/dbraw/zinc/23/19/89/571231989.db2.gz CGJMRDZAJMSKLG-KZNAEPCWSA-N 1 0 363.502 2.215 50 0 FEAARO C[C@H](CNC(=O)N(C)Cc1nc(-c2ccncc2)no1)[NH+]1CCCCC1 ZINC000584891915 571314684 /nfs/dbraw/zinc/31/46/84/571314684.db2.gz DFEYJTUYWPLKCJ-CQSZACIVSA-N 1 0 358.446 2.147 50 0 FEAARO COc1ccccc1CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000584893407 571314928 /nfs/dbraw/zinc/31/49/28/571314928.db2.gz LTWSUNLNQZYXQY-IBGZPJMESA-N 1 0 374.529 2.395 50 0 FEAARO CCc1nnc(CN(C)C(=O)NC2CC[NH+](C3CCSCC3)CC2)o1 ZINC000584895133 571315243 /nfs/dbraw/zinc/31/52/43/571315243.db2.gz OECOBRFVTFGSHI-UHFFFAOYSA-N 1 0 367.519 2.133 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)N2CCC(Cn3ccnc3)CC2)CC1 ZINC000584900047 571316041 /nfs/dbraw/zinc/31/60/41/571316041.db2.gz UGYBIDVZBAPJSN-UHFFFAOYSA-N 1 0 365.547 2.132 50 0 FEAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2nc(Cc3cccs3)no2)CC1 ZINC000584900759 571316165 /nfs/dbraw/zinc/31/61/65/571316165.db2.gz DHIRAZWRLDOVJO-CYBMUJFWSA-N 1 0 363.487 2.348 50 0 FEAARO O=C(c1ccccc1)N1CCC(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000585091199 571320308 /nfs/dbraw/zinc/32/03/08/571320308.db2.gz FKCUQBKONJZYQQ-NRFANRHFSA-N 1 0 371.525 2.382 50 0 FEAARO CCCn1ncc(C[NH+]2CCC(CCC(=O)NCCOC)CC2)c1C ZINC000012074161 670000381 /nfs/dbraw/zinc/00/03/81/670000381.db2.gz GSLYKIZYRQRMJW-UHFFFAOYSA-N 1 0 350.507 2.356 50 0 FEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(F)c(OC)c3)C2)C1=O ZINC000012465442 670002442 /nfs/dbraw/zinc/00/24/42/670002442.db2.gz LQEPKTIEVGPGJK-IBGZPJMESA-N 1 0 350.434 2.295 50 0 FEAARO CCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cc4ccccc4s3)CN2C1=O ZINC000014746884 670009352 /nfs/dbraw/zinc/00/93/52/670009352.db2.gz SMZYQRYIQVYCKT-BPUTZDHNSA-N 1 0 357.479 2.259 50 0 FEAARO COc1ccc(F)c(C[NH+]2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)c1 ZINC000014882833 670009646 /nfs/dbraw/zinc/00/96/46/670009646.db2.gz HOSLPFFAAGFYGR-KRWDZBQOSA-N 1 0 350.434 2.484 50 0 FEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652384605 677485741 /nfs/dbraw/zinc/48/57/41/677485741.db2.gz GOMOPULICNMTSF-XHSDSOJGSA-N 1 0 356.463 2.184 50 0 FEAARO O[C@H](C[NH2+][C@H]1COC2(CCC2)C1)COc1ccccc1Br ZINC000657927334 678046009 /nfs/dbraw/zinc/04/60/09/678046009.db2.gz PRMYABFJCAVPSC-CHWSQXEVSA-N 1 0 356.260 2.490 50 0 FEAARO Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000952975699 681793591 /nfs/dbraw/zinc/79/35/91/681793591.db2.gz LPABSWXQHVTMJC-SFHVURJKSA-N 1 0 362.499 2.143 50 0 FEAARO CS(=O)(=O)c1ccc([C@]2(O)Cc3cccc[n+]3[C@@H]2c2ccccc2)cc1 ZINC000003098859 539359797 /nfs/dbraw/zinc/35/97/97/539359797.db2.gz LVIWXYDETRIGBP-NHCUHLMSSA-N 1 0 366.462 2.411 50 0 FEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000012630157 539569023 /nfs/dbraw/zinc/56/90/23/539569023.db2.gz ABYBZHBHOHTNHO-QGZVFWFLSA-N 1 0 365.393 2.303 50 0 FEAARO C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012810993 539576020 /nfs/dbraw/zinc/57/60/20/539576020.db2.gz MSWLVIWHIOVPRV-CQSZACIVSA-N 1 0 358.417 2.379 50 0 FEAARO NC(=O)Cc1csc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000012910876 539578973 /nfs/dbraw/zinc/57/89/73/539578973.db2.gz KWHHSWHQRZXHRQ-UHFFFAOYSA-N 1 0 358.467 2.409 50 0 FEAARO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000014200959 539598611 /nfs/dbraw/zinc/59/86/11/539598611.db2.gz VVTAFDKWCQUACT-JXTAAOLFSA-N 1 0 362.470 2.022 50 0 FEAARO CCC[NH+]1CCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC1 ZINC000015075335 539611940 /nfs/dbraw/zinc/61/19/40/539611940.db2.gz QBUCVCQSNLTQBI-UHFFFAOYSA-N 1 0 367.497 2.371 50 0 FEAARO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015074586 539612119 /nfs/dbraw/zinc/61/21/19/539612119.db2.gz UTZBQWQENPJCFG-AWEZNQCLSA-N 1 0 351.520 2.211 50 0 FEAARO Cn1cc(C[NH2+]Cc2[nH]nc3c2CCC3)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019741093 539668085 /nfs/dbraw/zinc/66/80/85/539668085.db2.gz RFDDQUXVCALFEK-UHFFFAOYSA-N 1 0 365.437 2.360 50 0 FEAARO O=C(Nc1nnc(CCc2ccccc2)[nH]1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000020203086 539673358 /nfs/dbraw/zinc/67/33/58/539673358.db2.gz ANERULXXXASHLR-INIZCTEOSA-N 1 0 354.458 2.292 50 0 FEAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1OC ZINC000020373546 539674013 /nfs/dbraw/zinc/67/40/13/539674013.db2.gz CDQYJYLWMSLCKB-UHFFFAOYSA-N 1 0 356.426 2.103 50 0 FEAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCN1CCCCC1)C2 ZINC000020994104 539679284 /nfs/dbraw/zinc/67/92/84/539679284.db2.gz KTEHXCRGVCHYAZ-QGZVFWFLSA-N 1 0 373.545 2.072 50 0 FEAARO CCOC(=O)c1nn(CC[NH+](C)C)c2c1CN(Cc1ccc(C)o1)CC2 ZINC000020905977 539678376 /nfs/dbraw/zinc/67/83/76/539678376.db2.gz GZLZPUIVMDXBFP-UHFFFAOYSA-N 1 0 360.458 2.081 50 0 FEAARO COc1cccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c1 ZINC000022765570 539699006 /nfs/dbraw/zinc/69/90/06/539699006.db2.gz NOHDHRWXDWVCNI-GOSISDBHSA-N 1 0 359.495 2.475 50 0 FEAARO COc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127408 539706739 /nfs/dbraw/zinc/70/67/39/539706739.db2.gz VZQTYSAMTQAGIN-UHFFFAOYSA-N 1 0 359.470 2.405 50 0 FEAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000023127361 539706749 /nfs/dbraw/zinc/70/67/49/539706749.db2.gz LHRNAZRPGKJVGC-UHFFFAOYSA-N 1 0 367.877 2.062 50 0 FEAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccccc1 ZINC000023363159 539712360 /nfs/dbraw/zinc/71/23/60/539712360.db2.gz SJGIFYKBJSUGLZ-BEFAXECRSA-N 1 0 359.420 2.444 50 0 FEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccccc1OC(F)(F)F ZINC000023437491 539714927 /nfs/dbraw/zinc/71/49/27/539714927.db2.gz YPTHNRVXIBOTSQ-UHFFFAOYSA-N 1 0 364.389 2.490 50 0 FEAARO CCn1nnc2cc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+](C)C)ccc21 ZINC000023656403 539718245 /nfs/dbraw/zinc/71/82/45/539718245.db2.gz IPILBRDCOWQRSW-LJQANCHMSA-N 1 0 367.453 2.493 50 0 FEAARO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3ccccc3=O)cc2)CC1 ZINC000032769514 209850623 /nfs/dbraw/zinc/85/06/23/209850623.db2.gz KOVSWPZZMYDNFV-UHFFFAOYSA-N 1 0 353.466 2.397 50 0 FEAARO COc1ccccc1N1CN(CCC[NH+](C)C)Cn2c(=O)c(C)c(C)nc21 ZINC000038830066 540000664 /nfs/dbraw/zinc/00/06/64/540000664.db2.gz IHQPETJQZQGSIF-UHFFFAOYSA-N 1 0 371.485 2.189 50 0 FEAARO O=c1oc2ccccc2n1CC[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000215215742 209633794 /nfs/dbraw/zinc/63/37/94/209633794.db2.gz QFIXBIBOXMTQGF-IBGZPJMESA-N 1 0 353.422 2.435 50 0 FEAARO CCn1nc(C)c(CN(CCOC)C(=O)C[N@H+](C)C2CCCC2)c1C ZINC000055099683 540628726 /nfs/dbraw/zinc/62/87/26/540628726.db2.gz IYDLYMBGKIBWPQ-UHFFFAOYSA-N 1 0 350.507 2.369 50 0 FEAARO O=C(COc1ccccc1)N1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055211543 540635669 /nfs/dbraw/zinc/63/56/69/540635669.db2.gz PUHCTTPHLBGVRM-PZJWPPBQSA-N 1 0 371.525 2.474 50 0 FEAARO CCc1oc(C(=O)N[C@@H](COC)c2ccnn2C)cc1C[NH+]1CCCC1 ZINC000055227137 540638396 /nfs/dbraw/zinc/63/83/96/540638396.db2.gz MRFPXSJFWOLMNV-HNNXBMFYSA-N 1 0 360.458 2.289 50 0 FEAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cncn1-c1ccc(F)cc1 ZINC000172380132 209554168 /nfs/dbraw/zinc/55/41/68/209554168.db2.gz NJCXUNDIYCOJTK-OAHLLOKOSA-N 1 0 372.444 2.242 50 0 FEAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H](CN1CCCC1=O)c1ccccc1)CN2 ZINC000058366710 540840276 /nfs/dbraw/zinc/84/02/76/540840276.db2.gz NOFQHEGZAAUORR-SJLPKXTDSA-N 1 0 353.470 2.187 50 0 FEAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000237979579 209357719 /nfs/dbraw/zinc/35/77/19/209357719.db2.gz ZTECVHBJWRDEGI-QMMMGPOBSA-N 1 0 371.659 2.353 50 0 FEAARO C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(-n3ccnc3)cc2)C[C@@H](C)O1 ZINC000058210701 540834120 /nfs/dbraw/zinc/83/41/20/540834120.db2.gz QXBJAKQAYXHJHU-IAGOWNOFSA-N 1 0 371.485 2.171 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+][C@@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000237585870 209350621 /nfs/dbraw/zinc/35/06/21/209350621.db2.gz DAXDFVKXIMKTPM-NSHDSACASA-N 1 0 363.259 2.377 50 0 FEAARO C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCC(=O)NC(N)=O)OCCO3 ZINC000058571534 540849480 /nfs/dbraw/zinc/84/94/80/540849480.db2.gz YMGXTDBCDHUEBL-ZDUSSCGKSA-N 1 0 373.453 2.231 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN(C)C(=O)c2cccs2)C1 ZINC000048271046 209331004 /nfs/dbraw/zinc/33/10/04/209331004.db2.gz SWJRAYWFSKQFQU-GASCZTMLSA-N 1 0 351.516 2.304 50 0 FEAARO COc1ccc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)cc1 ZINC000065288764 541232836 /nfs/dbraw/zinc/23/28/36/541232836.db2.gz BODMOLJYPGKFJJ-LJQANCHMSA-N 1 0 359.514 2.256 50 0 FEAARO Cc1cc(N2CCC(C)CC2)n2nc(CN3CC[NH+](C(C)C)CC3)nc2n1 ZINC000065311614 541233958 /nfs/dbraw/zinc/23/39/58/541233958.db2.gz BKAPQONLVHXCCD-UHFFFAOYSA-N 1 0 371.533 2.195 50 0 FEAARO COC(=O)c1ccc(NC(=O)CC[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000065371469 541235395 /nfs/dbraw/zinc/23/53/95/541235395.db2.gz VNNDKLGXROAPNI-MJGOQNOKSA-N 1 0 354.406 2.050 50 0 FEAARO CCN(Cc1cnn(CC)c1)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065386996 541236446 /nfs/dbraw/zinc/23/64/46/541236446.db2.gz UNCRBYNSCKUXIT-UHFFFAOYSA-N 1 0 355.486 2.317 50 0 FEAARO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 ZINC000105630805 209266565 /nfs/dbraw/zinc/26/65/65/209266565.db2.gz ZNENRXPPAFBENG-QGZVFWFLSA-N 1 0 365.543 2.479 50 0 FEAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000065493626 541241182 /nfs/dbraw/zinc/24/11/82/541241182.db2.gz VLLFYPQBSQGXPX-MSOLQXFVSA-N 1 0 350.466 2.498 50 0 FEAARO OC1CC[NH+](C2CCN(Cc3cccc(Cn4cccn4)c3)CC2)CC1 ZINC000065529432 541244033 /nfs/dbraw/zinc/24/40/33/541244033.db2.gz JBMIRPJPZMVBBS-UHFFFAOYSA-N 1 0 354.498 2.353 50 0 FEAARO C[C@H](NC(=O)c1ccoc1)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000066946110 541398661 /nfs/dbraw/zinc/39/86/61/541398661.db2.gz OENVBIISIGJWAF-KRWDZBQOSA-N 1 0 371.481 2.421 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3ncc[nH]3)C2=O)cc1 ZINC000067540357 541477189 /nfs/dbraw/zinc/47/71/89/541477189.db2.gz KJCJDIMRKYMUJH-NRFANRHFSA-N 1 0 370.497 2.219 50 0 FEAARO CC(C)[C@@H](NC(=O)c1ccc2ccccc2n1)c1nnc2n1CC[NH2+]CC2 ZINC000067678511 541497651 /nfs/dbraw/zinc/49/76/51/541497651.db2.gz RWLJFPBNQIQGGW-GOSISDBHSA-N 1 0 364.453 2.099 50 0 FEAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H]1C[NH2+]CCO1)CCO2 ZINC000067673379 541497701 /nfs/dbraw/zinc/49/77/01/541497701.db2.gz BDFVTMNLDTURPV-LJQANCHMSA-N 1 0 368.433 2.077 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CC(C)(C)CO)C2=O)cc1 ZINC000067673697 541497712 /nfs/dbraw/zinc/49/77/12/541497712.db2.gz DIJNTMAHYMAIFY-NRFANRHFSA-N 1 0 362.514 2.272 50 0 FEAARO C[C@H](NC(=O)C1c2ccccc2-c2ccccc21)c1nnc2n1CC[NH2+]CC2 ZINC000067773036 541511164 /nfs/dbraw/zinc/51/11/64/541511164.db2.gz FPUAAOLMNAORAD-AWEZNQCLSA-N 1 0 373.460 2.414 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cccc2ccccc21 ZINC000067817365 541516924 /nfs/dbraw/zinc/51/69/24/541516924.db2.gz PBEDQGWVDFOPHN-MJGOQNOKSA-N 1 0 353.466 2.179 50 0 FEAARO COCC(=O)N1CCC[N@H+](Cc2c[nH]nc2-c2cc(C)ccc2C)CC1 ZINC000067821038 541517404 /nfs/dbraw/zinc/51/74/04/541517404.db2.gz WGJKGANJTFWZGO-UHFFFAOYSA-N 1 0 356.470 2.374 50 0 FEAARO CN1CC[N@@H+]2C[C@@H](NC(=O)c3ccc(-c4ccc(O)cc4)cc3)C[C@H]2C1 ZINC000067821427 541517798 /nfs/dbraw/zinc/51/77/98/541517798.db2.gz FZXJQJSMJDXUEJ-OALUTQOASA-N 1 0 351.450 2.177 50 0 FEAARO COC(=O)N1CCC2(CCC([N@@H+]3CC[C@@H](N(C)C(C)=O)C3)CC2)CC1 ZINC000067846914 541520061 /nfs/dbraw/zinc/52/00/61/541520061.db2.gz BCCKMETUAFBJAF-QGZVFWFLSA-N 1 0 351.491 2.330 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H](C)Cc3ccccn3)cnn2c1 ZINC000067843453 541520186 /nfs/dbraw/zinc/52/01/86/541520186.db2.gz FVNRHERENRYGSD-HNNXBMFYSA-N 1 0 366.469 2.327 50 0 FEAARO CS(=O)(=O)c1cnc(COc2ccc(F)cc2)nc1[C@H]1CCC[NH2+]C1 ZINC000071440406 541767675 /nfs/dbraw/zinc/76/76/75/541767675.db2.gz QXJWCSITPPORMN-LBPRGKRZSA-N 1 0 365.430 2.065 50 0 FEAARO COCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071552090 541768315 /nfs/dbraw/zinc/76/83/15/541768315.db2.gz QUDJDWZHJVDWLX-FQEVSTJZSA-N 1 0 373.541 2.468 50 0 FEAARO O=C(c1cn2cccnc2n1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071762991 541771516 /nfs/dbraw/zinc/77/15/16/541771516.db2.gz QYYMAZLEHJZLDE-MISYRCLQSA-N 1 0 373.460 2.432 50 0 FEAARO Cc1cc(C)n(C[C@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000071768003 541772272 /nfs/dbraw/zinc/77/22/72/541772272.db2.gz CWHBHVCJGAIRAA-AWEZNQCLSA-N 1 0 363.469 2.498 50 0 FEAARO Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC000072150388 541789840 /nfs/dbraw/zinc/78/98/40/541789840.db2.gz FCRSAAXNWBPIAD-GOSISDBHSA-N 1 0 371.529 2.439 50 0 FEAARO O=C(c1ncoc1-c1ccccc1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072156172 541791358 /nfs/dbraw/zinc/79/13/58/541791358.db2.gz IJUYIEYMYJJEKW-UHFFFAOYSA-N 1 0 355.438 2.403 50 0 FEAARO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)o2)n1C ZINC000072157280 541791571 /nfs/dbraw/zinc/79/15/71/541791571.db2.gz BKIXDITVMRGSAV-QGZVFWFLSA-N 1 0 373.501 2.460 50 0 FEAARO COc1cccc([C@@H]2CN(c3nccc(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072159335 541791612 /nfs/dbraw/zinc/79/16/12/541791612.db2.gz KGADMAPDGAZONO-QXAKKESOSA-N 1 0 351.454 2.134 50 0 FEAARO CCc1oc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cc1C[NH+](CC)CC ZINC000072162826 541792368 /nfs/dbraw/zinc/79/23/68/541792368.db2.gz AYLYKAMTVALXQI-LJQANCHMSA-N 1 0 363.458 2.351 50 0 FEAARO CN(C)c1ccccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072166066 541794179 /nfs/dbraw/zinc/79/41/79/541794179.db2.gz QRNAVDUJTLBACY-UXHICEINSA-N 1 0 365.477 2.301 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3nc(C)c[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072174573 541795774 /nfs/dbraw/zinc/79/57/74/541795774.db2.gz HUTJRQRMGHWWLX-GUDVDZBRSA-N 1 0 366.465 2.429 50 0 FEAARO CO[C@@H]1c2ccccc2C2(CC[NH+](C3CCN(C(C)=O)CC3)CC2)[C@H]1O ZINC000072169435 541795298 /nfs/dbraw/zinc/79/52/98/541795298.db2.gz SITGOVNOXNGKJP-UXHICEINSA-N 1 0 358.482 2.093 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000072272924 541796565 /nfs/dbraw/zinc/79/65/65/541796565.db2.gz QGPABDDUQIRRDY-UHFFFAOYSA-N 1 0 361.461 2.280 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000072273951 541796843 /nfs/dbraw/zinc/79/68/43/541796843.db2.gz UOBXRACRMQOXBJ-ZDUSSCGKSA-N 1 0 354.834 2.252 50 0 FEAARO Cc1cc(NC(=O)CCc2cc3n(n2)CC[NH2+]C3)cc2sc(N)nc21 ZINC000072410423 541807486 /nfs/dbraw/zinc/80/74/86/541807486.db2.gz ZIEAHHQJFOTNGB-UHFFFAOYSA-N 1 0 356.455 2.058 50 0 FEAARO O=C(COc1ccccc1-c1nccn1[C@@H]1CC[NH2+]C1)N1CCCCC1 ZINC000072411959 541807502 /nfs/dbraw/zinc/80/75/02/541807502.db2.gz IJANUZKAWWITSE-MRXNPFEDSA-N 1 0 354.454 2.476 50 0 FEAARO Cc1ccc(C(=O)N2CCc3ncnc(NCC[NH+](C)C)c3CC2)s1 ZINC000072418925 541808171 /nfs/dbraw/zinc/80/81/71/541808171.db2.gz WCPRZZIQOFLWJU-UHFFFAOYSA-N 1 0 359.499 2.061 50 0 FEAARO Cc1ncc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cn1 ZINC000072420406 541808978 /nfs/dbraw/zinc/80/89/78/541808978.db2.gz ARYXTPJNPWXAIN-SFHVURJKSA-N 1 0 369.517 2.279 50 0 FEAARO CS(=O)(=O)c1cnc(NCCCc2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072428047 541812116 /nfs/dbraw/zinc/81/21/16/541812116.db2.gz OQRLRZYJTVZEHX-MRXNPFEDSA-N 1 0 374.510 2.392 50 0 FEAARO CCCc1nnsc1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072478848 541820280 /nfs/dbraw/zinc/82/02/80/541820280.db2.gz OFAZALGXTWKRPY-ZDUSSCGKSA-N 1 0 352.504 2.064 50 0 FEAARO C[NH+]1CCC(N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588747 220010823 /nfs/dbraw/zinc/01/08/23/220010823.db2.gz GXZLMJMMRBOIQL-LJQANCHMSA-N 1 0 353.470 2.369 50 0 FEAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000072712705 541856275 /nfs/dbraw/zinc/85/62/75/541856275.db2.gz YHFRKTQLZVHCFT-HNNXBMFYSA-N 1 0 367.902 2.478 50 0 FEAARO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@H](CC[NH3+])C2)c1 ZINC000096151282 209125218 /nfs/dbraw/zinc/12/52/18/209125218.db2.gz CXIFLLDLOVSCPY-CYBMUJFWSA-N 1 0 369.849 2.487 50 0 FEAARO Cc1cccc(Cn2nc(CC3CC[NH+](C)CC3)nc2Cn2nccn2)c1 ZINC000096138245 209118614 /nfs/dbraw/zinc/11/86/14/209118614.db2.gz OPVZBGODYJWBSJ-UHFFFAOYSA-N 1 0 365.485 2.159 50 0 FEAARO CCC(=O)Nc1ccc(F)c(NC(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000096141731 209122439 /nfs/dbraw/zinc/12/24/39/209122439.db2.gz LWCCDLAGTWPWQO-CYBMUJFWSA-N 1 0 366.437 2.000 50 0 FEAARO C[NH+]1CCN(CCc2nc(-c3ccncc3)nn2-c2ccccc2F)CC1 ZINC000096132815 209116702 /nfs/dbraw/zinc/11/67/02/209116702.db2.gz ZOMTYNSHIQQWOK-UHFFFAOYSA-N 1 0 366.444 2.258 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)C1 ZINC000076091455 542232270 /nfs/dbraw/zinc/23/22/70/542232270.db2.gz OEAPINJSWQRYRA-KZNAEPCWSA-N 1 0 374.529 2.405 50 0 FEAARO O=C(c1cccc(-c2cnccn2)c1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000299794544 206653073 /nfs/dbraw/zinc/65/30/73/206653073.db2.gz KGKBYKIPOOTRQX-UHFFFAOYSA-N 1 0 366.465 2.207 50 0 FEAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3)C2=O)cc1 ZINC000000892385 206844411 /nfs/dbraw/zinc/84/44/11/206844411.db2.gz GEQXKGDDZBZLKQ-KRWDZBQOSA-N 1 0 352.390 2.285 50 0 FEAARO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000004682149 207038043 /nfs/dbraw/zinc/03/80/43/207038043.db2.gz BUZZGPPCFVBBLP-UHFFFAOYSA-N 1 0 363.889 2.276 50 0 FEAARO Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)no1 ZINC000004784073 207048284 /nfs/dbraw/zinc/04/82/84/207048284.db2.gz DIQWZKJXPOMABH-UHFFFAOYSA-N 1 0 356.426 2.224 50 0 FEAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCC(=O)NC(C)(C)C ZINC000005019162 207072871 /nfs/dbraw/zinc/07/28/71/207072871.db2.gz NECSVBQEVNMYNH-OAHLLOKOSA-N 1 0 350.459 2.257 50 0 FEAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000007781977 207207833 /nfs/dbraw/zinc/20/78/33/207207833.db2.gz HCYPLRGEKVTYJN-UHFFFAOYSA-N 1 0 365.499 2.286 50 0 FEAARO O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)NC[C@@H]1CCCO1 ZINC000036708877 207288080 /nfs/dbraw/zinc/28/80/80/207288080.db2.gz IIXZPJKDIUWTLJ-KRWDZBQOSA-N 1 0 356.470 2.044 50 0 FEAARO CCNc1cc(NCCNC(=O)Nc2ccc3c(c2)OCO3)nc(C)[nH+]1 ZINC000036708108 207288340 /nfs/dbraw/zinc/28/83/40/207288340.db2.gz UDZZCFGCSNEEHN-UHFFFAOYSA-N 1 0 358.402 2.179 50 0 FEAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)n1 ZINC000011666714 207317048 /nfs/dbraw/zinc/31/70/48/207317048.db2.gz HDTYSIGHGOAHKV-FQEVSTJZSA-N 1 0 357.429 2.172 50 0 FEAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)CSc2ncccn2)C1 ZINC000011937323 207331597 /nfs/dbraw/zinc/33/15/97/207331597.db2.gz VFLYZSCYFQZVDV-QGZVFWFLSA-N 1 0 371.510 2.129 50 0 FEAARO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)no2)c1 ZINC000011878789 207327584 /nfs/dbraw/zinc/32/75/84/207327584.db2.gz ZCZZMYCPQMBTRO-INIZCTEOSA-N 1 0 369.421 2.376 50 0 FEAARO O=C(Nc1ccc(F)cc1F)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000076639481 542303985 /nfs/dbraw/zinc/30/39/85/542303985.db2.gz KYDQFCXIOAKMNJ-AWEZNQCLSA-N 1 0 351.397 2.284 50 0 FEAARO COCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)o1 ZINC000012588573 207398457 /nfs/dbraw/zinc/39/84/57/207398457.db2.gz IYDBSQNDKYZESX-MRXNPFEDSA-N 1 0 350.459 2.277 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+][C@H](C)C2)cnn1-c1ccc(Br)cc1 ZINC000188447728 208019609 /nfs/dbraw/zinc/01/96/09/208019609.db2.gz DAXDFVKXIMKTPM-LLVKDONJSA-N 1 0 363.259 2.377 50 0 FEAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2nnc3ccccc32)CC1 ZINC000032914581 208055604 /nfs/dbraw/zinc/05/56/04/208055604.db2.gz JATLBNPFNXSYQH-UHFFFAOYSA-N 1 0 363.465 2.474 50 0 FEAARO Cc1ccc(C(=O)N2CCC(CC(=O)NCC[NH+]3CCCC3)CC2)cc1 ZINC000032974201 208061979 /nfs/dbraw/zinc/06/19/79/208061979.db2.gz UWJYQGITBFYDKM-UHFFFAOYSA-N 1 0 357.498 2.449 50 0 FEAARO Cn1nc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c2ccccc2c1=O ZINC000032970906 208062543 /nfs/dbraw/zinc/06/25/43/208062543.db2.gz WCIGDGOEHIJSLX-AWEZNQCLSA-N 1 0 356.451 2.028 50 0 FEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)cc1 ZINC000040091410 208225966 /nfs/dbraw/zinc/22/59/66/208225966.db2.gz DXZHCRDPTLZNMY-QFBILLFUSA-N 1 0 374.460 2.043 50 0 FEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(C)nc3)cc2)CC1 ZINC000040115248 208230068 /nfs/dbraw/zinc/23/00/68/208230068.db2.gz AHAUTXRKNYEPMB-UHFFFAOYSA-N 1 0 352.482 2.458 50 0 FEAARO CC[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040721188 208262996 /nfs/dbraw/zinc/26/29/96/208262996.db2.gz MPNJSEXMPDZYES-LJQANCHMSA-N 1 0 355.438 2.099 50 0 FEAARO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000042392734 208290260 /nfs/dbraw/zinc/29/02/60/208290260.db2.gz UJDOSTDOCAAGFC-YJBOKZPZSA-N 1 0 350.434 2.306 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000299740402 208324538 /nfs/dbraw/zinc/32/45/38/208324538.db2.gz ZHLNURLNPPGVFT-NWANDNLSSA-N 1 0 360.376 2.031 50 0 FEAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)C1 ZINC000047617811 208382036 /nfs/dbraw/zinc/38/20/36/208382036.db2.gz WDPCAHZRSFPJLK-GOSISDBHSA-N 1 0 374.529 2.050 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(=O)n(C)n3)cc2)C1 ZINC000048310217 208398473 /nfs/dbraw/zinc/39/84/73/208398473.db2.gz JBYLDMNSRCAUQJ-HOTGVXAUSA-N 1 0 368.481 2.188 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000048301894 208399150 /nfs/dbraw/zinc/39/91/50/208399150.db2.gz HKHHNAVAPVXWCO-HZPDHXFCSA-N 1 0 370.497 2.389 50 0 FEAARO C[C@@H](C1CCN(Cc2cnc(N3CCCC3)nc2)CC1)[NH+]1CCOCC1 ZINC000077344271 542370527 /nfs/dbraw/zinc/37/05/27/542370527.db2.gz RSTHHAGPVXGXFC-KRWDZBQOSA-N 1 0 359.518 2.010 50 0 FEAARO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000058191823 208562516 /nfs/dbraw/zinc/56/25/16/208562516.db2.gz ZBKSNOLVTPUBTR-NSHDSACASA-N 1 0 364.515 2.381 50 0 FEAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCOCCO)CC2 ZINC000077516681 542391248 /nfs/dbraw/zinc/39/12/48/542391248.db2.gz UWVJVFYTOLABOP-UHFFFAOYSA-N 1 0 366.889 2.163 50 0 FEAARO C[C@@H](CN1CC2(CC[NH+](CCOCCO)CC2)OC1=O)c1ccccc1 ZINC000077519194 542391492 /nfs/dbraw/zinc/39/14/92/542391492.db2.gz JNHFGIMTQRZWHK-KRWDZBQOSA-N 1 0 362.470 2.086 50 0 FEAARO c1ccc(-c2ncc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)cn2)nc1 ZINC000077522581 542392021 /nfs/dbraw/zinc/39/20/21/542392021.db2.gz OVTXPXZNXZVDMH-SFHVURJKSA-N 1 0 353.470 2.225 50 0 FEAARO O=c1cc(CN2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)[nH]c2c(F)cccc12 ZINC000077452724 542384026 /nfs/dbraw/zinc/38/40/26/542384026.db2.gz SDLWNPPCKBOOPF-OAHLLOKOSA-N 1 0 373.472 2.336 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)CN(C)Cc3ccncc3)C[C@H]2[NH+](C)C)cc1 ZINC000077471809 542385615 /nfs/dbraw/zinc/38/56/15/542385615.db2.gz WMNPFZLTKNTFPH-LEWJYISDSA-N 1 0 366.509 2.378 50 0 FEAARO Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H]4C[NH2+]C[C@H]43)s2)cs1 ZINC000077535616 542393591 /nfs/dbraw/zinc/39/35/91/542393591.db2.gz MXWXFMPDERNNLL-CMPLNLGQSA-N 1 0 355.510 2.162 50 0 FEAARO CCC(=O)N1CCC2(CN(CC[N@H+](C)CCc3ccccc3)C(=O)O2)CC1 ZINC000077537048 542394520 /nfs/dbraw/zinc/39/45/20/542394520.db2.gz GWBLRQKAWZIDOJ-UHFFFAOYSA-N 1 0 373.497 2.384 50 0 FEAARO Cc1noc([C@@H](C)NC(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)n1 ZINC000065394158 208671515 /nfs/dbraw/zinc/67/15/15/208671515.db2.gz BHSFDWQIWJVDLO-LLVKDONJSA-N 1 0 364.833 2.410 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CC(C)(C)CO)C2=O)cc1 ZINC000067673699 208715913 /nfs/dbraw/zinc/71/59/13/208715913.db2.gz DIJNTMAHYMAIFY-OAQYLSRUSA-N 1 0 362.514 2.272 50 0 FEAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000072028991 208794969 /nfs/dbraw/zinc/79/49/69/208794969.db2.gz ACXMYFIQKUIEOW-UHFFFAOYSA-N 1 0 360.506 2.110 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072144213 208808807 /nfs/dbraw/zinc/80/88/07/208808807.db2.gz ZKHVBXXRWKRCHQ-KRWDZBQOSA-N 1 0 370.453 2.114 50 0 FEAARO CS(=O)(=O)c1cnc(N2CCC3(CCCC3)C2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072447560 208864680 /nfs/dbraw/zinc/86/46/80/208864680.db2.gz GQFJXVXFDXBCFC-CQSZACIVSA-N 1 0 364.515 2.118 50 0 FEAARO O=C(N[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1C1CC1)C1CCOCC1 ZINC000091849304 209000624 /nfs/dbraw/zinc/00/06/24/209000624.db2.gz OCVKAHWTGZKUPS-RTWAWAEBSA-N 1 0 354.494 2.407 50 0 FEAARO CC[C@@]1(CO)CCC[N@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000091849260 209001237 /nfs/dbraw/zinc/00/12/37/209001237.db2.gz QTUYVFNULKFBKZ-OAQYLSRUSA-N 1 0 362.514 2.382 50 0 FEAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)NCc1ccccc1)CC2 ZINC000091873101 209001574 /nfs/dbraw/zinc/00/15/74/209001574.db2.gz NYDREOMTMNMAGR-UHFFFAOYSA-N 1 0 372.513 2.162 50 0 FEAARO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCC1)C2=O)NCc1ccco1 ZINC000091943538 209005421 /nfs/dbraw/zinc/00/54/21/209005421.db2.gz NDFHKSJNFZRCJN-FQEVSTJZSA-N 1 0 359.470 2.153 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)CN3CCc4ccccc4C3)C[C@@H]2[NH3+])cc1 ZINC000092077698 209016388 /nfs/dbraw/zinc/01/63/88/209016388.db2.gz YBMGLKVOZFBCAD-RTWAWAEBSA-N 1 0 365.477 2.007 50 0 FEAARO C[NH2+]CCCNC(=O)c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]c1=O ZINC000092077196 209016691 /nfs/dbraw/zinc/01/66/91/209016691.db2.gz HRZOULSXNJGHPL-UHFFFAOYSA-N 1 0 355.225 2.495 50 0 FEAARO COc1c[nH]c(C[NH+]2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)cc1=O ZINC000095358873 209027667 /nfs/dbraw/zinc/02/76/67/209027667.db2.gz GXAOJEUGWMOPSD-KRWDZBQOSA-N 1 0 367.449 2.022 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095363416 209029942 /nfs/dbraw/zinc/02/99/42/209029942.db2.gz BQGYDGXWUKCBLH-MRXNPFEDSA-N 1 0 370.453 2.193 50 0 FEAARO Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cs1 ZINC000092078180 209016052 /nfs/dbraw/zinc/01/60/52/209016052.db2.gz ITCAIVSUGZRWOF-WMLDXEAASA-N 1 0 371.510 2.176 50 0 FEAARO CCN1CC2(CC[NH+](CCOCCO)CC2)C[C@H](c2ccccc2)C1=O ZINC000095365272 209031315 /nfs/dbraw/zinc/03/13/15/209031315.db2.gz FYBJMSFHFSHVOV-LJQANCHMSA-N 1 0 360.498 2.114 50 0 FEAARO Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000095369811 209032299 /nfs/dbraw/zinc/03/22/99/209032299.db2.gz MYKARXIMRDNRLW-CQSZACIVSA-N 1 0 353.470 2.028 50 0 FEAARO O=C(CCN1CCCC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095371737 209034570 /nfs/dbraw/zinc/03/45/70/209034570.db2.gz CWQSRQJBKZDNMH-RBUKOAKNSA-N 1 0 355.482 2.122 50 0 FEAARO O=C(NCCc1noc([C@@H]2CCCO2)n1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095371312 209035604 /nfs/dbraw/zinc/03/56/04/209035604.db2.gz NHMDNNYWKUVSMY-INIZCTEOSA-N 1 0 374.441 2.085 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000095379206 209037934 /nfs/dbraw/zinc/03/79/34/209037934.db2.gz NMHSGPFYPXBECZ-QGZVFWFLSA-N 1 0 356.470 2.230 50 0 FEAARO CN1CC[N@H+](CCCCOc2ccccc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000095379069 209039103 /nfs/dbraw/zinc/03/91/03/209039103.db2.gz ZKMKQVJPGGYOST-NRFANRHFSA-N 1 0 359.514 2.474 50 0 FEAARO Cc1cccc2[nH]c(C3CCN(C(=O)C[N@@H+]4CCC[C@H](O)C4)CC3)nc21 ZINC000095379478 209040630 /nfs/dbraw/zinc/04/06/30/209040630.db2.gz RTHJCTOOWJMENK-INIZCTEOSA-N 1 0 356.470 2.034 50 0 FEAARO CC[NH+](CC)CCN(C(=O)Nc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000095951622 209090228 /nfs/dbraw/zinc/09/02/28/209090228.db2.gz HLCSZVGNDHEDLR-QGZVFWFLSA-N 1 0 367.515 2.358 50 0 FEAARO Cn1ccnc1C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)CC1 ZINC000095496926 209060209 /nfs/dbraw/zinc/06/02/09/209060209.db2.gz YIZTZUVJXKHZGR-KRWDZBQOSA-N 1 0 360.502 2.017 50 0 FEAARO CC(=O)c1c(C)nn(CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1C ZINC000095500399 209061098 /nfs/dbraw/zinc/06/10/98/209061098.db2.gz KWMINHYVWGMYLO-RTBURBONSA-N 1 0 372.513 2.425 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2cnc[nH]2)C1 ZINC000095498821 209062276 /nfs/dbraw/zinc/06/22/76/209062276.db2.gz ZNJYTBKOADTAMS-KRWDZBQOSA-N 1 0 370.497 2.374 50 0 FEAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1Cc2cnn(CCO)c2C1 ZINC000095499121 209062306 /nfs/dbraw/zinc/06/23/06/209062306.db2.gz OJLPKUFZJCENMW-UHFFFAOYSA-N 1 0 354.454 2.017 50 0 FEAARO CNS(=O)(=O)c1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1C ZINC000095944198 209088027 /nfs/dbraw/zinc/08/80/27/209088027.db2.gz UJTFQXIRWMVASX-MJBXVCDLSA-N 1 0 353.488 2.103 50 0 FEAARO COCC[NH+]1CCC(CN(Cc2ccncc2)C(=O)c2cnco2)CC1 ZINC000095517034 209070705 /nfs/dbraw/zinc/07/07/05/209070705.db2.gz GWLAKGIOJPIVBS-UHFFFAOYSA-N 1 0 358.442 2.070 50 0 FEAARO OC[C@H]1CCCC[N@@H+]1CCNc1ncnc2c1Cc1ccccc1OC2 ZINC000095517150 209071224 /nfs/dbraw/zinc/07/12/24/209071224.db2.gz AWTQCGSXARNJIL-MRXNPFEDSA-N 1 0 354.454 2.219 50 0 FEAARO CSCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082127645 542685730 /nfs/dbraw/zinc/68/57/30/542685730.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 1 0 350.532 2.410 50 0 FEAARO Cn1c2ccccc2cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1=O ZINC000085879933 542732983 /nfs/dbraw/zinc/73/29/83/542732983.db2.gz NBKGNXIGMLQADX-WBVHZDCISA-N 1 0 361.445 2.320 50 0 FEAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc(N)[nH+]1 ZINC000082170992 132198116 /nfs/dbraw/zinc/19/81/16/132198116.db2.gz XZXCIBVAAGYEGH-HXUWFJFHSA-N 1 0 366.469 2.171 50 0 FEAARO CC(C)c1cncnc1N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091468796 132201644 /nfs/dbraw/zinc/20/16/44/132201644.db2.gz XFKATNHUXONGBR-UHFFFAOYSA-N 1 0 359.518 2.371 50 0 FEAARO CCCc1nc(C)cc(N2CCC([N@@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)n1 ZINC000095499223 132212153 /nfs/dbraw/zinc/21/21/53/132212153.db2.gz UBBIOSHWFVZQSB-HXUWFJFHSA-N 1 0 373.501 2.233 50 0 FEAARO Cc1nc2sccc2c(N2CCC([NH2+][C@@H](C)Cn3cncn3)CC2)n1 ZINC000095503532 132212593 /nfs/dbraw/zinc/21/25/93/132212593.db2.gz XGPVHXYZZAKCSM-LBPRGKRZSA-N 1 0 357.487 2.238 50 0 FEAARO Cc1ncccc1Oc1ncnc(N2CCC(N3CC[NH2+]CC3)CC2)c1C ZINC000096166890 132221685 /nfs/dbraw/zinc/22/16/85/132221685.db2.gz ATXYTLABIXXPGQ-UHFFFAOYSA-N 1 0 368.485 2.155 50 0 FEAARO O=C([C@@H]1CC[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237706432 132248450 /nfs/dbraw/zinc/24/84/50/132248450.db2.gz GFKDLTNHDVPXGV-SNVBAGLBSA-N 1 0 362.783 2.012 50 0 FEAARO Cc1cc(N2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)nc(N)[nH+]1 ZINC000215165912 132269612 /nfs/dbraw/zinc/26/96/12/132269612.db2.gz DUOZSUNCLLGSIH-UHFFFAOYSA-N 1 0 363.469 2.090 50 0 FEAARO CCc1nccn1CC[NH+]1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000244734476 132290669 /nfs/dbraw/zinc/29/06/69/132290669.db2.gz NGFDECLQWGGXIC-UHFFFAOYSA-N 1 0 368.407 2.385 50 0 FEAARO Cc1cnc(C)c(N2CC[NH+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)n1 ZINC000299775801 132299064 /nfs/dbraw/zinc/29/90/64/132299064.db2.gz KSSYOJUHYQLNGQ-SFHVURJKSA-N 1 0 365.481 2.269 50 0 FEAARO O=C(N1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091364831 542805684 /nfs/dbraw/zinc/80/56/84/542805684.db2.gz LCEKKFQQCYNDRA-QFBILLFUSA-N 1 0 355.482 2.002 50 0 FEAARO C[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)[NH+]1CCCCC1 ZINC000091382140 542806075 /nfs/dbraw/zinc/80/60/75/542806075.db2.gz QAHUBXKDUDLQMX-OAHLLOKOSA-N 1 0 356.470 2.286 50 0 FEAARO CCN1CCC([NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)CC1 ZINC000091551363 542812479 /nfs/dbraw/zinc/81/24/79/542812479.db2.gz QAWFWZUTUMTATQ-UHFFFAOYSA-N 1 0 373.545 2.141 50 0 FEAARO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)cc(=O)c2c1 ZINC000091574220 542813042 /nfs/dbraw/zinc/81/30/42/542813042.db2.gz ZULGYPJZPLFTHQ-KRWDZBQOSA-N 1 0 355.482 2.381 50 0 FEAARO CCN1CC[C@]2(CN(Cc3cncn3CC(C)C)CC[N@@H+]2C)CCC1=O ZINC000091587457 542814405 /nfs/dbraw/zinc/81/44/05/542814405.db2.gz WLTZLZAVFQQELK-FQEVSTJZSA-N 1 0 361.534 2.058 50 0 FEAARO c1cn(Cc2ccc3nsnc3c2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091595852 542815139 /nfs/dbraw/zinc/81/51/39/542815139.db2.gz BAHZRFKQSAPBOC-UHFFFAOYSA-N 1 0 366.454 2.119 50 0 FEAARO COCCCN1CCC[C@]2(CC[N@H+](Cc3c(C)nc4ccccn43)C2)C1=O ZINC000091664437 542818737 /nfs/dbraw/zinc/81/87/37/542818737.db2.gz OWNWXFISIBRKCR-OAQYLSRUSA-N 1 0 370.497 2.494 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2nc3ccccc3[nH]2)CC1 ZINC000091665826 542818998 /nfs/dbraw/zinc/81/89/98/542818998.db2.gz JSRQGMFJOQEBEH-UHFFFAOYSA-N 1 0 366.469 2.341 50 0 FEAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC000091769193 542824297 /nfs/dbraw/zinc/82/42/97/542824297.db2.gz OXXGAVPXQPIPSZ-UHFFFAOYSA-N 1 0 367.852 2.169 50 0 FEAARO Cc1ccc(-c2ncc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c(=O)[nH]2)cc1 ZINC000091807373 542826448 /nfs/dbraw/zinc/82/64/48/542826448.db2.gz RDOQAISUPBPECS-OAHLLOKOSA-N 1 0 366.465 2.444 50 0 FEAARO COc1ccccc1N1CC[N@H+](Cc2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000072148733 136142730 /nfs/dbraw/zinc/14/27/30/136142730.db2.gz FWCWKZGPUCUFMQ-INIZCTEOSA-N 1 0 369.465 2.270 50 0 FEAARO Cc1ccc2nc(N3CCC[C@H](O)C3)c(CN3CC[NH+](C)CC3)cc2c1 ZINC000072412242 136145721 /nfs/dbraw/zinc/14/57/21/136145721.db2.gz UBMCSLUQQYKTGE-IBGZPJMESA-N 1 0 354.498 2.252 50 0 FEAARO CNC(=O)c1ccc(/C=C\C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000096401526 542999372 /nfs/dbraw/zinc/99/93/72/542999372.db2.gz YYVDJRPXLBAJEH-FLIBITNWSA-N 1 0 363.461 2.234 50 0 FEAARO CCn1cnnc1[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)C1 ZINC000103477607 543110312 /nfs/dbraw/zinc/11/03/12/543110312.db2.gz SVHVJXOOEUNPDJ-LSDHHAIUSA-N 1 0 359.478 2.282 50 0 FEAARO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1Br ZINC000106380054 543227182 /nfs/dbraw/zinc/22/71/82/543227182.db2.gz CRCIGBAFWVVKIE-AWEZNQCLSA-N 1 0 355.276 2.411 50 0 FEAARO O=C(c1ccc(OC2CC[NH+](CCn3cnnc3)CC2)cc1)N1CCCC1 ZINC000095528774 209077196 /nfs/dbraw/zinc/07/71/96/209077196.db2.gz PTRWDRLHEHTRIS-UHFFFAOYSA-N 1 0 369.469 2.058 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000095531751 209078484 /nfs/dbraw/zinc/07/84/84/209078484.db2.gz CWJJZMNOYRCMTP-ROUUACIJSA-N 1 0 355.442 2.293 50 0 FEAARO C[NH+]1CCC(Oc2ccc(NC(=O)NCCCN3CCCC3=O)cc2)CC1 ZINC000095530305 209079467 /nfs/dbraw/zinc/07/94/67/209079467.db2.gz XQJMEDFDNHEJDH-UHFFFAOYSA-N 1 0 374.485 2.294 50 0 FEAARO NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000131048927 544175230 /nfs/dbraw/zinc/17/52/30/544175230.db2.gz JYDGZDRSJRDRKZ-QGZVFWFLSA-N 1 0 367.449 2.318 50 0 FEAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000151049420 544499046 /nfs/dbraw/zinc/49/90/46/544499046.db2.gz QNGQEVHKQJXQBK-JTQLQIEISA-N 1 0 364.243 2.115 50 0 FEAARO CC(C)n1cnc(S(=O)(=O)NCc2cccc(Cn3ccnc3)c2)c1 ZINC000151790937 544580053 /nfs/dbraw/zinc/58/00/53/544580053.db2.gz KVDSOMLTSNKTFP-UHFFFAOYSA-N 1 0 359.455 2.187 50 0 FEAARO CCc1cc(CNC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)on1 ZINC000426599770 263642447 /nfs/dbraw/zinc/64/24/47/263642447.db2.gz QUYBVDXUMAEZJK-UHFFFAOYSA-N 1 0 354.454 2.232 50 0 FEAARO OC[C@H]1CCCCN1c1cc(N2CCCN(c3nccs3)CC2)ncn1 ZINC000192285855 328310953 /nfs/dbraw/zinc/31/09/53/328310953.db2.gz XPJNARCUPLQYTP-OAHLLOKOSA-N 1 0 374.514 2.001 50 0 FEAARO Cc1cc(N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)n2ncnc2n1 ZINC000275663652 330075632 /nfs/dbraw/zinc/07/56/32/330075632.db2.gz LEQVBVZESYSWGM-QGZVFWFLSA-N 1 0 351.458 2.319 50 0 FEAARO CC(C)c1cc(C(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)n(C)n1 ZINC000082087737 519831504 /nfs/dbraw/zinc/83/15/04/519831504.db2.gz BJYZTHGFLHBHJJ-INIZCTEOSA-N 1 0 361.534 2.032 50 0 FEAARO CCNc1nc(NCCNS(=O)(=O)c2ccccc2Cl)cc(C)[nH+]1 ZINC000082230425 520356794 /nfs/dbraw/zinc/35/67/94/520356794.db2.gz LOXHWALWJZLWTF-UHFFFAOYSA-N 1 0 369.878 2.261 50 0 FEAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCCn2cnnn2)cc1 ZINC000082157218 521908779 /nfs/dbraw/zinc/90/87/79/521908779.db2.gz VMPWMDFFTLIJCA-GOSISDBHSA-N 1 0 356.474 2.269 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000152441521 523101616 /nfs/dbraw/zinc/10/16/16/523101616.db2.gz CZRRUKIPWDACKR-SCRDCRAPSA-N 1 0 360.376 2.031 50 0 FEAARO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCOCC2)cc1 ZINC000020994508 523342529 /nfs/dbraw/zinc/34/25/29/523342529.db2.gz OUEHJSPIMWRUKV-NRFANRHFSA-N 1 0 370.493 2.391 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000091254843 523620070 /nfs/dbraw/zinc/62/00/70/523620070.db2.gz PSNAYLWGOUDZFN-HZPDHXFCSA-N 1 0 368.905 2.297 50 0 FEAARO CC[C@H](C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1)[NH+](C)C ZINC000084718714 523757932 /nfs/dbraw/zinc/75/79/32/523757932.db2.gz GDNNTVSBBRRABV-GOSISDBHSA-N 1 0 363.477 2.329 50 0 FEAARO CN1CC[NH+](CCC(=O)NCc2cccnc2Oc2ccccc2F)CC1 ZINC000020539257 523895135 /nfs/dbraw/zinc/89/51/35/523895135.db2.gz LGEODGGTDXTEIL-UHFFFAOYSA-N 1 0 372.444 2.267 50 0 FEAARO CN(C)CC[N@H+](C)C1CCN(C(=O)[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000217930554 524061459 /nfs/dbraw/zinc/06/14/59/524061459.db2.gz SSGYXLDIUPNMGW-OAQYLSRUSA-N 1 0 369.509 2.358 50 0 FEAARO COc1ccccc1C[NH+]1CCC(c2nnc(Cn3ccnc3)n2C)CC1 ZINC000091411453 524448055 /nfs/dbraw/zinc/44/80/55/524448055.db2.gz ZEDBRCZUUDXPQN-UHFFFAOYSA-N 1 0 366.469 2.448 50 0 FEAARO Cc1ccccc1OCC(=O)N1CCC(C[N@H+]2CCN(C)C[C@@H]2C)CC1 ZINC000085468253 525276915 /nfs/dbraw/zinc/27/69/15/525276915.db2.gz OSSHXRHMPSMKNG-SFHVURJKSA-N 1 0 359.514 2.248 50 0 FEAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000241439914 525534177 /nfs/dbraw/zinc/53/41/77/525534177.db2.gz NNLDAVCAVYDFLH-HUBLWGQQSA-N 1 0 358.891 2.025 50 0 FEAARO COc1cccc(NC(=O)[C@H]([NH2+]CCN2CCOCC2)c2ccccc2)c1 ZINC000083973590 526199910 /nfs/dbraw/zinc/19/99/10/526199910.db2.gz CLLBWBVWZSXESY-HXUWFJFHSA-N 1 0 369.465 2.297 50 0 FEAARO O=C(c1ccccn1)N1CCC([N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)CC1 ZINC000091625266 526814130 /nfs/dbraw/zinc/81/41/30/526814130.db2.gz BNYZDJQDPNPQMQ-UYAOXDASSA-N 1 0 368.525 2.492 50 0 FEAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000082137745 526882792 /nfs/dbraw/zinc/88/27/92/526882792.db2.gz KIWCFNJEHPBKER-IBGZPJMESA-N 1 0 357.498 2.055 50 0 FEAARO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000082116000 527014493 /nfs/dbraw/zinc/01/44/93/527014493.db2.gz ILWRWKKKHWRWPD-KRWDZBQOSA-N 1 0 367.449 2.413 50 0 FEAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000091321820 527129574 /nfs/dbraw/zinc/12/95/74/527129574.db2.gz RYPOBIJDUVNPAP-MRXNPFEDSA-N 1 0 372.387 2.454 50 0 FEAARO Cn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cn1 ZINC000020541651 527201887 /nfs/dbraw/zinc/20/18/87/527201887.db2.gz QNORCULYAGJZPD-SFHVURJKSA-N 1 0 357.477 2.346 50 0 FEAARO O=S1(=O)CC[C@@H](Cn2cc(-c3cc(C[NH+]4CCCC4)cs3)nn2)C1 ZINC000091536486 527308531 /nfs/dbraw/zinc/30/85/31/527308531.db2.gz HFHAIQKFAFPFQX-ZDUSSCGKSA-N 1 0 366.512 2.037 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCc3nc(C4CCCCC4)no3)nn2)CC1 ZINC000244594220 527413749 /nfs/dbraw/zinc/41/37/49/527413749.db2.gz DIPAWJYAZZYSNG-OKILXGFUSA-N 1 0 373.461 2.081 50 0 FEAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000091650463 527448695 /nfs/dbraw/zinc/44/86/95/527448695.db2.gz OMNAOWGHPICNHN-UHFFFAOYSA-N 1 0 351.458 2.143 50 0 FEAARO OCCCc1cn(C2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3)CC2)nn1 ZINC000019940162 527546975 /nfs/dbraw/zinc/54/69/75/527546975.db2.gz HZNDSGWJJMBCMQ-FQEVSTJZSA-N 1 0 373.476 2.258 50 0 FEAARO CCCNC(=O)C[N@H+](CCN1CCN(c2cccc(C)c2)CC1)CC1CC1 ZINC000095456042 535066752 /nfs/dbraw/zinc/06/67/52/535066752.db2.gz BZWLXTASKOGUPF-UHFFFAOYSA-N 1 0 372.557 2.355 50 0 FEAARO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000058174719 535602646 /nfs/dbraw/zinc/60/26/46/535602646.db2.gz DDGAOIUUPBOFOD-UHFFFAOYSA-N 1 0 357.458 2.310 50 0 FEAARO C[NH2+][C@@H]1CCN(C(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)C1 ZINC000097019463 536369890 /nfs/dbraw/zinc/36/98/90/536369890.db2.gz MYUTZLNEURUYAE-OAHLLOKOSA-N 1 0 373.526 2.345 50 0 FEAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155772627 545568056 /nfs/dbraw/zinc/56/80/56/545568056.db2.gz IGZDLDWJAAKIHV-WBVHZDCISA-N 1 0 370.428 2.488 50 0 FEAARO c1ccc(N2CCOCC2)c(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000179627687 546987752 /nfs/dbraw/zinc/98/77/52/546987752.db2.gz RJCXSSRGLKHAAG-UHFFFAOYSA-N 1 0 359.514 2.067 50 0 FEAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCS(=O)(=O)CC1 ZINC000186987874 548235458 /nfs/dbraw/zinc/23/54/58/548235458.db2.gz PZTHOJXOXZKYOP-OAHLLOKOSA-N 1 0 364.511 2.112 50 0 FEAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NCC1CCN(CC(F)(F)F)CC1 ZINC000187494403 548258273 /nfs/dbraw/zinc/25/82/73/548258273.db2.gz BDURIDYWHRCFKV-AWEZNQCLSA-N 1 0 362.440 2.044 50 0 FEAARO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)CCO4)CC2)CC1 ZINC000195343395 548628433 /nfs/dbraw/zinc/62/84/33/548628433.db2.gz YZFHQHPKALDTLV-UHFFFAOYSA-N 1 0 358.486 2.302 50 0 FEAARO Cc1ccc2nccc(C(=O)N3CCN(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000215653784 548673567 /nfs/dbraw/zinc/67/35/67/548673567.db2.gz CUZYGSYCRZSOEJ-UHFFFAOYSA-N 1 0 352.482 2.395 50 0 FEAARO COc1cc(OC)c(CN2CCC[C@](CO)(C[NH+](C)C)C2)cc1Cl ZINC000216095652 548676443 /nfs/dbraw/zinc/67/64/43/548676443.db2.gz VGLZYTYYWNGSBU-SFHVURJKSA-N 1 0 356.894 2.493 50 0 FEAARO O=C(COc1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000219214228 548693055 /nfs/dbraw/zinc/69/30/55/548693055.db2.gz BDVMMZQCYFVBBJ-UHFFFAOYSA-N 1 0 352.862 2.168 50 0 FEAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000222551635 548709224 /nfs/dbraw/zinc/70/92/24/548709224.db2.gz STIYDVVJTVZDFB-SFHVURJKSA-N 1 0 370.497 2.068 50 0 FEAARO COc1ccc(CCCC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000222877374 548713469 /nfs/dbraw/zinc/71/34/69/548713469.db2.gz NERPDVSDBXTTBS-UHFFFAOYSA-N 1 0 360.498 2.467 50 0 FEAARO Cc1nc2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC[NH+](C)C)ccc2s1 ZINC000223048469 548715589 /nfs/dbraw/zinc/71/55/89/548715589.db2.gz KYHLPBGTCBJOGL-GDBMZVCRSA-N 1 0 363.483 2.070 50 0 FEAARO O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000223601097 548721831 /nfs/dbraw/zinc/72/18/31/548721831.db2.gz ZSABODXBSUICFY-IAGOWNOFSA-N 1 0 359.470 2.143 50 0 FEAARO Cc1sc2nc([C@H](C)N3CC[NH+](CC(C)(C)O)CC3)[nH]c(=O)c2c1C ZINC000225538776 548738231 /nfs/dbraw/zinc/73/82/31/548738231.db2.gz MVWPQVCAIZUSDV-LBPRGKRZSA-N 1 0 364.515 2.051 50 0 FEAARO COc1ccc([C@H](CNC(=O)[C@H]2CCCC23OCCO3)[NH+]2CCCC2)cc1 ZINC000225807456 548743875 /nfs/dbraw/zinc/74/38/75/548743875.db2.gz YIASKCPTYUXNIF-MOPGFXCFSA-N 1 0 374.481 2.492 50 0 FEAARO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000229379847 548755537 /nfs/dbraw/zinc/75/55/37/548755537.db2.gz NPYRQPCFLVIMLZ-NVXWUHKLSA-N 1 0 360.502 2.206 50 0 FEAARO O=C(C1CC[NH2+]CC1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000236588958 548768083 /nfs/dbraw/zinc/76/80/83/548768083.db2.gz DUSHNCCJUXZCSQ-OAHLLOKOSA-N 1 0 353.260 2.349 50 0 FEAARO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(F)cccc1Br ZINC000237504195 548830594 /nfs/dbraw/zinc/83/05/94/548830594.db2.gz MWXSSBBLMPJJBW-BDAKNGLRSA-N 1 0 351.241 2.089 50 0 FEAARO Cc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000244678826 548892954 /nfs/dbraw/zinc/89/29/54/548892954.db2.gz IKYBNXLEYVKDIU-INIZCTEOSA-N 1 0 371.481 2.218 50 0 FEAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000244734930 548894150 /nfs/dbraw/zinc/89/41/50/548894150.db2.gz NOCMUVXJISSNEA-CQSZACIVSA-N 1 0 367.453 2.451 50 0 FEAARO Cn1c2ccccc2nc1C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000244787800 548895226 /nfs/dbraw/zinc/89/52/26/548895226.db2.gz QDXNTXBEZBVGRS-INIZCTEOSA-N 1 0 356.470 2.048 50 0 FEAARO Cc1cc(N)n(CC(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)n1 ZINC000244831526 548896264 /nfs/dbraw/zinc/89/62/64/548896264.db2.gz UFKYWXHDRHQIFS-QGZVFWFLSA-N 1 0 359.449 2.256 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245225142 548901209 /nfs/dbraw/zinc/90/12/09/548901209.db2.gz NXCHVFFVTCLFRT-ZIAGYGMSSA-N 1 0 354.472 2.014 50 0 FEAARO C[C@@H](CCC(=O)N(C)CCc1nc2cc(F)ccc2[nH]1)[NH+]1CCOCC1 ZINC000252479976 549666825 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CSCC[NH+]1CCC(NC(=O)Nc2cccc(-n3cnnc3)c2)CC1 ZINC000299759200 553611154 /nfs/dbraw/zinc/61/11/54/553611154.db2.gz BKSQWFOTUWHREH-UHFFFAOYSA-N 1 0 360.487 2.216 50 0 FEAARO COc1ccc(C(=O)N2CC[C@@H](n3nc(C)cc3C)C2)cc1OCCC[NH3+] ZINC000299755729 553611310 /nfs/dbraw/zinc/61/13/10/553611310.db2.gz CEPGXZOOXZLXJL-QGZVFWFLSA-N 1 0 372.469 2.323 50 0 FEAARO Cc1cc2oc(=O)cc(C)c2cc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000299761292 553611822 /nfs/dbraw/zinc/61/18/22/553611822.db2.gz UUDLEFZPOJBSEP-OAHLLOKOSA-N 1 0 373.453 2.378 50 0 FEAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CC2CC2)CC1 ZINC000299761887 553611900 /nfs/dbraw/zinc/61/19/00/553611900.db2.gz ZPHFGPSEFSRAHE-LJQANCHMSA-N 1 0 362.445 2.306 50 0 FEAARO Cc1cccc(-n2cc(CNC(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)cn2)c1 ZINC000299771973 553613004 /nfs/dbraw/zinc/61/30/04/553613004.db2.gz YNZFMQQTHHGSAN-GOSISDBHSA-N 1 0 369.513 2.213 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCOc2cccc3cccnc32)C1 ZINC000299772799 553613067 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O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000332869533 554533798 /nfs/dbraw/zinc/53/37/98/554533798.db2.gz LVKJGMJILBMNDQ-RBUKOAKNSA-N 1 0 365.518 2.088 50 0 FEAARO O=C(NC[C@H]1C[NH2+]CCO1)c1cccc(-c2cccc(C(F)(F)F)n2)c1 ZINC000426529255 559737028 /nfs/dbraw/zinc/73/70/28/559737028.db2.gz IYBZKYBAJNBWPA-CQSZACIVSA-N 1 0 365.355 2.486 50 0 FEAARO CNc1cc(C)nc(-c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)cc2)n1 ZINC000426545203 559737465 /nfs/dbraw/zinc/73/74/65/559737465.db2.gz UJPGTYCVFDEWSY-KRWDZBQOSA-N 1 0 353.470 2.130 50 0 FEAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)CCn2c(C)cccc2=O)C1 ZINC000426545157 559737489 /nfs/dbraw/zinc/73/74/89/559737489.db2.gz WHRBIDXCFIBFLF-LJQANCHMSA-N 1 0 367.493 2.461 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccc(OCCn4ccnc4)cc3)[C@H]1C[C@H](O)CC2 ZINC000426584692 559738361 /nfs/dbraw/zinc/73/83/61/559738361.db2.gz MADUQFYJGKLODH-HLAWJBBLSA-N 1 0 371.481 2.466 50 0 FEAARO Cn1cc(CC[N@H+](C)Cc2ccccc2OCC(=O)N2CCCCC2)cn1 ZINC000216055811 568102950 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CC(C)C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000084544246 571088623 /nfs/dbraw/zinc/08/86/23/571088623.db2.gz MUECVXYCNFLRSF-QGZVFWFLSA-N 1 0 359.470 2.075 50 0 FEAARO Cc1cc(C)n([C@@H]2CCCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)C2)n1 ZINC000685941197 571100436 /nfs/dbraw/zinc/10/04/36/571100436.db2.gz AIXMWEQECSMYLL-MRXNPFEDSA-N 1 0 356.474 2.167 50 0 FEAARO CCc1nccn1[C@H]1CCCN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)C1 ZINC000685942546 571102679 /nfs/dbraw/zinc/10/26/79/571102679.db2.gz ORYOCHRRRCDWTO-HNNXBMFYSA-N 1 0 356.474 2.113 50 0 FEAARO CN(C)C(=O)CCc1cccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000426405869 571220878 /nfs/dbraw/zinc/22/08/78/571220878.db2.gz ZZCCQFWUBZYXQP-SFHVURJKSA-N 1 0 358.486 2.409 50 0 FEAARO CCNC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000426412357 571221787 /nfs/dbraw/zinc/22/17/87/571221787.db2.gz IKQAOJDSUYDMGG-OAQYLSRUSA-N 1 0 357.498 2.336 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2cn(C)nc2CC)c1 ZINC000426441750 571225480 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O=C1C[C@H](C[NH+]2CCC(O)(c3ccccn3)CC2)CN1c1ccccc1 ZINC000670469977 571360229 /nfs/dbraw/zinc/36/02/29/571360229.db2.gz GNDSNJHDYYEJEN-QGZVFWFLSA-N 1 0 351.450 2.418 50 0 FEAARO CC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000011753495 669999429 /nfs/dbraw/zinc/99/94/29/669999429.db2.gz VHYYTLWQSVUBOW-GOSISDBHSA-N 1 0 363.889 2.084 50 0 FEAARO C[NH+]1CCC(N(Cc2cccnc2)C(=O)c2cc(Cl)c[nH]c2=O)CC1 ZINC000072429963 670495569 /nfs/dbraw/zinc/49/55/69/670495569.db2.gz CPKSOTUTDVENSB-UHFFFAOYSA-N 1 0 360.845 2.160 50 0 FEAARO COc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2nccn2CC(F)(F)F)cn1 ZINC000284925013 672977759 /nfs/dbraw/zinc/97/77/59/672977759.db2.gz IWAHQWRTOQZOBW-SWLSCSKDSA-N 1 0 356.348 2.469 50 0 FEAARO CC[NH+]1CCN(CC(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000952979085 681794297 /nfs/dbraw/zinc/79/42/97/681794297.db2.gz MTQWADTUTOVJHW-UHFFFAOYSA-N 1 0 355.935 2.327 50 0 FEAARO COc1cc(Cl)cc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000952986447 681795625 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O=C(NCC[NH2+]CCNC(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006475181 539428743 /nfs/dbraw/zinc/42/87/43/539428743.db2.gz DWPBEWIGNADCAX-UHFFFAOYSA-N 1 0 371.437 2.429 50 0 FEAARO Cc1cc(=O)c2ccccc2n1CC(=O)NCCC12CCC[NH+]1CCC2 ZINC000219522366 222702193 /nfs/dbraw/zinc/70/21/93/222702193.db2.gz CYJVCELTYDTHEA-UHFFFAOYSA-N 1 0 353.466 2.445 50 0 FEAARO CC(=O)N1CCC(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000006698333 539434969 /nfs/dbraw/zinc/43/49/69/539434969.db2.gz RRSWXBZNASQDSB-UHFFFAOYSA-N 1 0 373.541 2.358 50 0 FEAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC000009902821 539509989 /nfs/dbraw/zinc/50/99/89/539509989.db2.gz KOCDPNCMNJFGST-GOSISDBHSA-N 1 0 360.454 2.244 50 0 FEAARO CC(C)C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000012152347 539546782 /nfs/dbraw/zinc/54/67/82/539546782.db2.gz ZBUVHEVMHLYBCZ-MRXNPFEDSA-N 1 0 371.481 2.240 50 0 FEAARO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccncc3)CC2)c(OC)c1 ZINC000047609838 210059251 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CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(=O)n4cc(C)ccc4n3)[C@H]2C1 ZINC000299789313 210030813 /nfs/dbraw/zinc/03/08/13/210030813.db2.gz ZCSTYWFAHBEZAI-FUHIMQAGSA-N 1 0 357.454 2.161 50 0 FEAARO Cc1nc2cc(CNC(=O)[C@@H]3CCCN3C3CC[NH+](C)CC3)ccc2[nH]1 ZINC000299786865 210028966 /nfs/dbraw/zinc/02/89/66/210028966.db2.gz NRSQHDNQWMEKTJ-IBGZPJMESA-N 1 0 355.486 2.046 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1c(C)nc2ccc(Cl)cn21 ZINC000299787978 210028599 /nfs/dbraw/zinc/02/85/99/210028599.db2.gz UKWUTUXXYXIECZ-KBPBESRZSA-N 1 0 350.850 2.134 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(C(=O)Nc2snnc2-c2ccccc2)C1 ZINC000299785553 210027845 /nfs/dbraw/zinc/02/78/45/210027845.db2.gz LWYUCFUPPCOPBU-CYBMUJFWSA-N 1 0 361.471 2.247 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cnc4c(c3)CCC4)cc2C1 ZINC000299781525 210024794 /nfs/dbraw/zinc/02/47/94/210024794.db2.gz WBQFQIHZXCEEEH-UHFFFAOYSA-N 1 0 353.470 2.313 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)NCc1nc(-c2ccccc2F)no1 ZINC000299774877 210021612 /nfs/dbraw/zinc/02/16/12/210021612.db2.gz IGNHHBSLEIESIX-UHFFFAOYSA-N 1 0 364.446 2.321 50 0 FEAARO CC(C)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)NC2CCCC2)C1 ZINC000299771066 210019691 /nfs/dbraw/zinc/01/96/91/210019691.db2.gz ROXJSGHJXDPULS-PKOBYXMFSA-N 1 0 351.535 2.257 50 0 FEAARO O=C1N[C@@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000299772548 210019249 /nfs/dbraw/zinc/01/92/49/210019249.db2.gz BDJSFSXKPSYJIC-HXUWFJFHSA-N 1 0 368.412 2.168 50 0 FEAARO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000012703624 539570943 /nfs/dbraw/zinc/57/09/43/539570943.db2.gz UBUVIHIMBZTRAJ-SFHVURJKSA-N 1 0 367.559 2.340 50 0 FEAARO Cn1cc(SCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c2ccccc21 ZINC000299764659 210015749 /nfs/dbraw/zinc/01/57/49/210015749.db2.gz CFNKKWPRGUIZCD-RDJZCZTQSA-N 1 0 359.495 2.250 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cn4ccc(C)cc4n3)cc2C1 ZINC000299763892 210013745 /nfs/dbraw/zinc/01/37/45/210013745.db2.gz YOKIMSTUDUUEAR-UHFFFAOYSA-N 1 0 366.469 2.385 50 0 FEAARO CCCn1cnc2cc(NC(=O)N3CCOC[C@H](C[NH+](C)C)C3)ccc21 ZINC000299758936 210012013 /nfs/dbraw/zinc/01/20/13/210012013.db2.gz LVWANDOYKIEOSQ-OAHLLOKOSA-N 1 0 359.474 2.488 50 0 FEAARO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000014163824 539597292 /nfs/dbraw/zinc/59/72/92/539597292.db2.gz FDXZUGDSBYONEP-UHFFFAOYSA-N 1 0 364.449 2.280 50 0 FEAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)s1 ZINC000033011001 539963806 /nfs/dbraw/zinc/96/38/06/539963806.db2.gz FCCYHQKLTGPKJS-UHFFFAOYSA-N 1 0 373.482 2.315 50 0 FEAARO Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2)c(C)c1 ZINC000035485443 539982016 /nfs/dbraw/zinc/98/20/16/539982016.db2.gz CXAZEADRWYTSEP-KXBFYZLASA-N 1 0 351.450 2.461 50 0 FEAARO Cc1ccccc1Cc1c(C)nc(C)nc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000036340125 539989157 /nfs/dbraw/zinc/98/91/57/539989157.db2.gz NJQOCWOTENQWAB-INIZCTEOSA-N 1 0 354.498 2.495 50 0 FEAARO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000036300033 539988654 /nfs/dbraw/zinc/98/86/54/539988654.db2.gz ACJVQXWOLSIJFC-UHFFFAOYSA-N 1 0 367.696 2.475 50 0 FEAARO COc1cccc(C(=O)NCc2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000040089772 540005829 /nfs/dbraw/zinc/00/58/29/540005829.db2.gz CKVMEDAMKYWAJQ-UHFFFAOYSA-N 1 0 353.466 2.373 50 0 FEAARO C[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@H]1c1ccccc1 ZINC000237376349 222906558 /nfs/dbraw/zinc/90/65/58/222906558.db2.gz DTNVPEAYZBLOJX-CRAIPNDOSA-N 1 0 353.470 2.468 50 0 FEAARO Cc1nc(C[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)no1 ZINC000237677608 222909569 /nfs/dbraw/zinc/90/95/69/222909569.db2.gz WKLGHFDBFDMMCO-KRWDZBQOSA-N 1 0 368.481 2.481 50 0 FEAARO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1Br ZINC000044492798 540128096 /nfs/dbraw/zinc/12/80/96/540128096.db2.gz AEGQIYXVFOMJGU-JTQLQIEISA-N 1 0 351.241 2.009 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000047415997 540308589 /nfs/dbraw/zinc/30/85/89/540308589.db2.gz BQNCEJLTGVQCIY-GASCZTMLSA-N 1 0 352.500 2.188 50 0 FEAARO Cc1ccc(F)cc1C(=O)N1CCC[C@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048140042 540347246 /nfs/dbraw/zinc/34/72/46/540347246.db2.gz BWEWXMYFXZWHJW-AWEZNQCLSA-N 1 0 359.449 2.472 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@@H+](C/C=C/c2ccccc2)CCO)cc1 ZINC000055036846 540623621 /nfs/dbraw/zinc/62/36/21/540623621.db2.gz OXFYMXCJQKVFHZ-VMPITWQZSA-N 1 0 360.479 2.102 50 0 FEAARO O=S(=O)(c1c(F)cccc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000058210311 540834055 /nfs/dbraw/zinc/83/40/55/540834055.db2.gz GJLVWHVRHUYBMY-UHFFFAOYSA-N 1 0 374.453 2.088 50 0 FEAARO O=C([C@@H]1C[NH2+]CCO1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067540252 541477209 /nfs/dbraw/zinc/47/72/09/541477209.db2.gz UWJRCUIKMAZJID-IBGZPJMESA-N 1 0 362.433 2.103 50 0 FEAARO O=C(NCCCOc1ccccc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069922057 541724195 /nfs/dbraw/zinc/72/41/95/541724195.db2.gz QTOJJRNHEMKUOF-GOSISDBHSA-N 1 0 361.486 2.209 50 0 FEAARO CCc1nccn1CC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072137225 541785783 /nfs/dbraw/zinc/78/57/83/541785783.db2.gz FHFMABPNBHIKQC-IBGZPJMESA-N 1 0 352.482 2.147 50 0 FEAARO CN(CC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccc3cccnc3c2O)C1 ZINC000072164758 541792931 /nfs/dbraw/zinc/79/29/31/541792931.db2.gz MKVFJTCJKCSRTH-MRXNPFEDSA-N 1 0 356.470 2.038 50 0 FEAARO O=S(=O)(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC000072173829 541795522 /nfs/dbraw/zinc/79/55/22/541795522.db2.gz HTCNWBFJMYWWED-GOSISDBHSA-N 1 0 351.516 2.014 50 0 FEAARO Cc1nc2cnccn2c1NCCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000064758444 212043325 /nfs/dbraw/zinc/04/33/25/212043325.db2.gz HZVDKKSUXVKVNK-UHFFFAOYSA-N 1 0 370.501 2.317 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)CN3CCCC3=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072411745 541806969 /nfs/dbraw/zinc/80/69/69/541806969.db2.gz NXYUWEXLHPSASU-STZQEDGTSA-N 1 0 367.493 2.006 50 0 FEAARO CC(C)Cc1cc(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n(C)n1 ZINC000072410270 541807510 /nfs/dbraw/zinc/80/75/10/541807510.db2.gz GNFVKDCEILBMFH-IYBDPMFKSA-N 1 0 362.518 2.332 50 0 FEAARO O=C1C[C@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)CN1C1CCCC1 ZINC000072418446 541808532 /nfs/dbraw/zinc/80/85/32/541808532.db2.gz NWSMTIAHZAFZMB-OAHLLOKOSA-N 1 0 368.485 2.031 50 0 FEAARO COCCN(C)CC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072421865 541809000 /nfs/dbraw/zinc/80/90/00/541809000.db2.gz KVNUCKSXVRTKQH-QFIPXVFZSA-N 1 0 373.541 2.469 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1ccccc1-c1nccn1C)CC[NH2+]C2 ZINC000072424603 541809652 /nfs/dbraw/zinc/80/96/52/541809652.db2.gz PTMKXXWNILVVCD-UHFFFAOYSA-N 1 0 361.449 2.366 50 0 FEAARO C[C@@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072424329 541810088 /nfs/dbraw/zinc/81/00/88/541810088.db2.gz AQISWHLQTJDNPW-HNNXBMFYSA-N 1 0 374.452 2.430 50 0 FEAARO Cc1nc(C[N@H+]2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c2ccccn12 ZINC000072439422 541814908 /nfs/dbraw/zinc/81/49/08/541814908.db2.gz MBMWTGIPWUTKTH-INIZCTEOSA-N 1 0 367.501 2.212 50 0 FEAARO C[N@H+](Cc1cccc(-n2cccn2)c1)Cc1cnc(N2CCOCC2)nc1 ZINC000072468994 541817744 /nfs/dbraw/zinc/81/77/44/541817744.db2.gz BYUHCXLWYCCWNW-UHFFFAOYSA-N 1 0 364.453 2.131 50 0 FEAARO Cc1ncn(-c2cc(NCCNC(=O)Cc3ccccc3)[nH+]c(C)n2)c1C ZINC000072441297 541815383 /nfs/dbraw/zinc/81/53/83/541815383.db2.gz NGNDKLBHMOKPHP-UHFFFAOYSA-N 1 0 364.453 2.358 50 0 FEAARO CN1CC23CN(C)CC2(C1)C[NH+](Cc1ccc(CCC(C)(C)O)cc1)C3 ZINC000072475419 541819289 /nfs/dbraw/zinc/81/92/89/541819289.db2.gz FUKIWDSYUHOYJG-UHFFFAOYSA-N 1 0 357.542 2.069 50 0 FEAARO CCc1ncc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000072457008 541816652 /nfs/dbraw/zinc/81/66/52/541816652.db2.gz UZLUJOBDCBCDNJ-KRWDZBQOSA-N 1 0 369.517 2.143 50 0 FEAARO CS(=O)(=O)c1cnc(NCC2CCCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072476450 541819697 /nfs/dbraw/zinc/81/96/97/541819697.db2.gz DYNMGQDZDKSSOZ-AWEZNQCLSA-N 1 0 352.504 2.339 50 0 FEAARO CSCCC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000012707390 220019451 /nfs/dbraw/zinc/01/94/51/220019451.db2.gz PPHOKDQMWIPSAI-CQSZACIVSA-N 1 0 352.504 2.248 50 0 FEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000012772533 220027859 /nfs/dbraw/zinc/02/78/59/220027859.db2.gz INGKGXGZXACRMR-UHFFFAOYSA-N 1 0 359.289 2.354 50 0 FEAARO O=C(c1cccc(-n2cnnn2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000058264453 212000897 /nfs/dbraw/zinc/00/08/97/212000897.db2.gz RXBAASDQGNXNIF-UHFFFAOYSA-N 1 0 368.485 2.391 50 0 FEAARO COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000013324993 220064174 /nfs/dbraw/zinc/06/41/74/220064174.db2.gz QFDSGZBHHJMYRQ-UHFFFAOYSA-N 1 0 360.439 2.279 50 0 FEAARO C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCc2ccccc21 ZINC000018935292 220233562 /nfs/dbraw/zinc/23/35/62/220233562.db2.gz OJDRPBPHYISKPZ-GOSISDBHSA-N 1 0 373.478 2.282 50 0 FEAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)cc(=O)[nH]1 ZINC000023479146 211390527 /nfs/dbraw/zinc/39/05/27/211390527.db2.gz WNYGELGFGWSVGM-INIZCTEOSA-N 1 0 350.426 2.039 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 ZINC000022683124 211361302 /nfs/dbraw/zinc/36/13/02/211361302.db2.gz JZBQOEAKNHFYIH-ZWKOTPCHSA-N 1 0 356.397 2.326 50 0 FEAARO COc1ccc2c(CC(=O)N3CCN(CC[NH+]4CCCC4)CC3)coc2c1 ZINC000022801520 211365820 /nfs/dbraw/zinc/36/58/20/211365820.db2.gz BTOBYGYDXLXQCX-UHFFFAOYSA-N 1 0 371.481 2.224 50 0 FEAARO COc1ccc([C@H](C[NH2+]CC(=O)N2CCc3ccccc32)N(C)C)cc1 ZINC000022038336 211335609 /nfs/dbraw/zinc/33/56/09/211335609.db2.gz YSGAQWPOUMCEIO-FQEVSTJZSA-N 1 0 353.466 2.477 50 0 FEAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000022075882 211337243 /nfs/dbraw/zinc/33/72/43/211337243.db2.gz WJFBKIUTUHEMEH-UHFFFAOYSA-N 1 0 351.491 2.030 50 0 FEAARO Cc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 ZINC000020999271 211302894 /nfs/dbraw/zinc/30/28/94/211302894.db2.gz JVIVJVDZBOODNL-INIZCTEOSA-N 1 0 355.486 2.478 50 0 FEAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454857 211282344 /nfs/dbraw/zinc/28/23/44/211282344.db2.gz DMMDMBCOAQYTMQ-SFHVURJKSA-N 1 0 367.497 2.161 50 0 FEAARO CC[NH+]1CCN(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1 ZINC000020449348 211278328 /nfs/dbraw/zinc/27/83/28/211278328.db2.gz PKFDLTRYKFULLE-UHFFFAOYSA-N 1 0 372.494 2.090 50 0 FEAARO CC(C)(C)CN1CCC[C@](O)(CN2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000019536058 211229602 /nfs/dbraw/zinc/22/96/02/211229602.db2.gz GYJUCMIRGQOLFG-NRFANRHFSA-N 1 0 365.562 2.336 50 0 FEAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Cl)c1OCC(N)=O ZINC000019366854 211219271 /nfs/dbraw/zinc/21/92/71/211219271.db2.gz NPXMYXWICHRIAL-CQSZACIVSA-N 1 0 369.893 2.177 50 0 FEAARO COCCNC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019299361 211214719 /nfs/dbraw/zinc/21/47/19/211214719.db2.gz NULOYZBSYYHFFN-UHFFFAOYSA-N 1 0 367.493 2.156 50 0 FEAARO O=S(=O)(c1ccc(C[NH2+]Cc2ccsc2)cc1)N1CCOCC1 ZINC000017317413 211184129 /nfs/dbraw/zinc/18/41/29/211184129.db2.gz OLQAHQLCYUGJEZ-UHFFFAOYSA-N 1 0 352.481 2.059 50 0 FEAARO C[C@H]([NH2+]CCOc1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016695443 211165752 /nfs/dbraw/zinc/16/57/52/211165752.db2.gz STOYTLOLEISKSW-ZDUSSCGKSA-N 1 0 360.385 2.228 50 0 FEAARO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000015067200 211117750 /nfs/dbraw/zinc/11/77/50/211117750.db2.gz VLTOTQFRISVEIL-HXUWFJFHSA-N 1 0 362.470 2.165 50 0 FEAARO Cc1cc(S(=O)(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)c(C)s1 ZINC000015066251 211116449 /nfs/dbraw/zinc/11/64/49/211116449.db2.gz ILARUONIUFHLLP-INIZCTEOSA-N 1 0 373.588 2.402 50 0 FEAARO NC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000014199418 211085861 /nfs/dbraw/zinc/08/58/61/211085861.db2.gz WCOKFHXMDNHANZ-UHFFFAOYSA-N 1 0 353.422 2.342 50 0 FEAARO COc1ccc(OC)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000004597910 210544440 /nfs/dbraw/zinc/54/44/40/210544440.db2.gz ZCHRUHHQWSFORI-UHFFFAOYSA-N 1 0 356.488 2.291 50 0 FEAARO C[C@H]1CCc2sc3ncn4nc(C(=O)NCCC[NH+](C)C)nc4c3c2C1 ZINC000002330934 210392148 /nfs/dbraw/zinc/39/21/48/210392148.db2.gz XGJUACFXRVMQNI-NSHDSACASA-N 1 0 372.498 2.145 50 0 FEAARO Cc1cc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)nc(-c2ccccc2)n1 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365.499 2.093 50 0 FEAARO COC(=O)c1sccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000048273891 221003959 /nfs/dbraw/zinc/00/39/59/221003959.db2.gz NCVLHQGVOZSASE-UHFFFAOYSA-N 1 0 360.501 2.078 50 0 FEAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCC[NH+]1CCCC1 ZINC000065329644 221200481 /nfs/dbraw/zinc/20/04/81/221200481.db2.gz NJDMGTUXURLWGM-UHFFFAOYSA-N 1 0 360.458 2.170 50 0 FEAARO Cc1cc(C)cc(CCC(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)c1 ZINC000065381904 221207166 /nfs/dbraw/zinc/20/71/66/221207166.db2.gz NAQNJOQTKRQUNB-UHFFFAOYSA-N 1 0 353.470 2.265 50 0 FEAARO O=C([C@@H]1CC(=O)N(CCc2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000065257712 221190219 /nfs/dbraw/zinc/19/02/19/221190219.db2.gz VGDGKFBVKIRMRZ-LJQANCHMSA-N 1 0 369.509 2.164 50 0 FEAARO CC[C@H](NC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1)c1nc(C)no1 ZINC000065403954 221213449 /nfs/dbraw/zinc/21/34/49/221213449.db2.gz PPNHGJNRCWGVKN-INIZCTEOSA-N 1 0 358.442 2.455 50 0 FEAARO Cc1nc2ccc(C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)cc2nc1C ZINC000065410064 221215895 /nfs/dbraw/zinc/21/58/95/221215895.db2.gz FRZVFNFNWRLSPB-QGZVFWFLSA-N 1 0 356.470 2.429 50 0 FEAARO Cc1sc2nc(CC[NH3+])nc(N(C)CC3(CO)CCOCC3)c2c1C ZINC000065488386 221224035 /nfs/dbraw/zinc/22/40/35/221224035.db2.gz IUBCASGAUBSXHJ-UHFFFAOYSA-N 1 0 364.515 2.035 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)CC[N@H+]2CC=C(c3cnn(C)c3)CC2)c1 ZINC000065505054 221228565 /nfs/dbraw/zinc/22/85/65/221228565.db2.gz DIGGUJFTRMQCEJ-UHFFFAOYSA-N 1 0 367.453 2.496 50 0 FEAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1Cn1nnc2ccccc2c1=O ZINC000065535927 221232940 /nfs/dbraw/zinc/23/29/40/221232940.db2.gz YWLVAERQIHWLLN-UHFFFAOYSA-N 1 0 361.409 2.247 50 0 FEAARO Cc1n[nH]c(C)c1C[C@@H](C)[N@@H+]1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000067643098 221265661 /nfs/dbraw/zinc/26/56/61/221265661.db2.gz RCSWBTRYDNCVLD-CQSZACIVSA-N 1 0 370.501 2.296 50 0 FEAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000067673391 221268676 /nfs/dbraw/zinc/26/86/76/221268676.db2.gz GUSCNOAMQMGLAL-AWEZNQCLSA-N 1 0 370.457 2.346 50 0 FEAARO CC(C)c1noc(CCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000067688812 221270217 /nfs/dbraw/zinc/27/02/17/221270217.db2.gz UWQJTWPRFJQUDX-UHFFFAOYSA-N 1 0 365.441 2.345 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)n[nH]1 ZINC000067834495 221292040 /nfs/dbraw/zinc/29/20/40/221292040.db2.gz SSHQBTLRHNOYMX-INIZCTEOSA-N 1 0 370.453 2.308 50 0 FEAARO Cc1csc(SCC(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067847133 221294210 /nfs/dbraw/zinc/29/42/10/221294210.db2.gz ZBJIVROOEXDFFA-UHFFFAOYSA-N 1 0 368.572 2.172 50 0 FEAARO C[C@@H](c1nc(CC2CC[NH+](C)CC2)no1)c1n[nH]c(=O)c2ccccc21 ZINC000067850853 221295090 /nfs/dbraw/zinc/29/50/90/221295090.db2.gz CRUCINHLFLCZGL-GFCCVEGCSA-N 1 0 353.426 2.342 50 0 FEAARO COCCN1CCC[C@@](O)(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000067974185 221310237 /nfs/dbraw/zinc/31/02/37/221310237.db2.gz QPMKCDIHNJUIIY-QGZVFWFLSA-N 1 0 374.403 2.137 50 0 FEAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000071278655 221337269 /nfs/dbraw/zinc/33/72/69/221337269.db2.gz BKEDIYUFUGCRFV-IRWQIABSSA-N 1 0 369.465 2.016 50 0 FEAARO CN(Cc1ccoc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071385524 221345475 /nfs/dbraw/zinc/34/54/75/221345475.db2.gz BCTFVJIXMJVITE-SFHVURJKSA-N 1 0 373.497 2.351 50 0 FEAARO Cc1oc(-c2cccs2)nc1CN1CC[NH2+][C@H](C(=O)N2CCCC2)C1 ZINC000072154193 221432529 /nfs/dbraw/zinc/43/25/29/221432529.db2.gz UOSYGHWIFAXJLG-HNNXBMFYSA-N 1 0 360.483 2.108 50 0 FEAARO O=c1c2c3c(sc2ncn1CC[C@@H]1COc2ccccc2O1)C[NH2+]CC3 ZINC000082083782 542683102 /nfs/dbraw/zinc/68/31/02/542683102.db2.gz LLDKBWXHQWFRRA-GFCCVEGCSA-N 1 0 369.446 2.334 50 0 FEAARO COC(=O)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000082096779 542683152 /nfs/dbraw/zinc/68/31/52/542683152.db2.gz JWJZSJXIOABZTG-MRXNPFEDSA-N 1 0 365.499 2.403 50 0 FEAARO Cc1cc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc(C)[nH+]1 ZINC000077353928 132181918 /nfs/dbraw/zinc/18/19/18/132181918.db2.gz ZWQKUAKQPPDMFP-LJQANCHMSA-N 1 0 353.422 2.187 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1nccnc1OC)CC2 ZINC000091769833 132203672 /nfs/dbraw/zinc/20/36/72/132203672.db2.gz IIFCCTQASIJEEZ-UHFFFAOYSA-N 1 0 356.474 2.362 50 0 FEAARO Cc1ccccc1N1CCC([N@@H+]2CC[C@]3(C2)CCCN(CCO)C3=O)CC1 ZINC000091793295 132204124 /nfs/dbraw/zinc/20/41/24/132204124.db2.gz ZDWRNVMBUSRDEF-QFIPXVFZSA-N 1 0 371.525 2.271 50 0 FEAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000092019324 132205343 /nfs/dbraw/zinc/20/53/43/132205343.db2.gz UEMXRKFLMZTZJS-GFCCVEGCSA-N 1 0 358.269 2.021 50 0 FEAARO COc1cccc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2=O)c1 ZINC000095354695 132207076 /nfs/dbraw/zinc/20/70/76/132207076.db2.gz YQSGMQRFSXOGHN-MRXNPFEDSA-N 1 0 359.470 2.135 50 0 FEAARO C[C@@H]1CN(c2cc(C[NH2+]Cc3cccc4c3OCCO4)ccn2)CCO1 ZINC000095963241 132216486 /nfs/dbraw/zinc/21/64/86/132216486.db2.gz MXMKKYBYMDRVHL-OAHLLOKOSA-N 1 0 355.438 2.368 50 0 FEAARO Cc1noc2ncnc(N3CC[N@H+](Cc4ccc(C)cc4)[C@H](CCO)C3)c12 ZINC000106990273 132265805 /nfs/dbraw/zinc/26/58/05/132265805.db2.gz FYUHDYHSQLKJSJ-QGZVFWFLSA-N 1 0 367.453 2.308 50 0 FEAARO CN1C(=O)C[C@H](C(=O)N2CCC([NH+]3CCSCC3)CC2)c2ccccc21 ZINC000216466174 132271541 /nfs/dbraw/zinc/27/15/41/132271541.db2.gz CEKJFZCJPSLPAV-KRWDZBQOSA-N 1 0 373.522 2.177 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000219893837 132275211 /nfs/dbraw/zinc/27/52/11/132275211.db2.gz LSBLYJDRHBEMFZ-QPJJXVBHSA-N 1 0 364.497 2.099 50 0 FEAARO Cc1nnc([C@@H]2CCC[N@H+](CCN3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000244594081 132289896 /nfs/dbraw/zinc/28/98/96/132289896.db2.gz DGDRMBIKDQEBRM-GOSISDBHSA-N 1 0 354.502 2.115 50 0 FEAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CN2CCSC2=O)CC1 ZINC000009113708 132844718 /nfs/dbraw/zinc/84/47/18/132844718.db2.gz HCTFJXAAXMJPHK-UHFFFAOYSA-N 1 0 368.890 2.199 50 0 FEAARO C[C@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 ZINC000012761814 132862962 /nfs/dbraw/zinc/86/29/62/132862962.db2.gz IYLIAPDVVAWFHG-SJCJKPOMSA-N 1 0 373.840 2.270 50 0 FEAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)ccc1=O ZINC000091364713 542805379 /nfs/dbraw/zinc/80/53/79/542805379.db2.gz FLXUPJBISHQCON-QFBILLFUSA-N 1 0 369.440 2.261 50 0 FEAARO Cc1cn2c(nc(C[N@H+]3CC[C@@]4(C3)CCCN(C(C)C)C4=O)cc2=O)s1 ZINC000091325548 542804788 /nfs/dbraw/zinc/80/47/88/542804788.db2.gz XYCQARFHWJVXIE-LJQANCHMSA-N 1 0 374.510 2.287 50 0 FEAARO Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCC(=O)[O-])C2)s1 ZINC000091476184 542809294 /nfs/dbraw/zinc/80/92/94/542809294.db2.gz DKBIPNHGMSMDDN-AEFFLSMTSA-N 1 0 365.543 2.359 50 0 FEAARO Cc1nc(N(C)C)nc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000091526842 542811375 /nfs/dbraw/zinc/81/13/75/542811375.db2.gz ISRZTQFOSZNDAH-QZTJIDSGSA-N 1 0 361.534 2.080 50 0 FEAARO C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)Cc2ccccc2)CC3)C1 ZINC000091620014 542815642 /nfs/dbraw/zinc/81/56/42/542815642.db2.gz KHUMVQALJGNUFU-IBGZPJMESA-N 1 0 369.509 2.164 50 0 FEAARO CC1(C)CN(C(=O)c2ccc(Cl)s2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091707822 542821284 /nfs/dbraw/zinc/82/12/84/542821284.db2.gz RKSBHQXERBFEQN-QGZVFWFLSA-N 1 0 372.918 2.337 50 0 FEAARO COc1ccc(F)cc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091768995 542824626 /nfs/dbraw/zinc/82/46/26/542824626.db2.gz AKRQPPGJZYPEPJ-HUUCEWRRSA-N 1 0 350.434 2.001 50 0 FEAARO O=c1cc(CN2CCC(O)(C[NH+]3CCCC3)CC2)[nH]c2c(F)cccc12 ZINC000091829567 542827299 /nfs/dbraw/zinc/82/72/99/542827299.db2.gz ZAJPVGYTOWLHHU-UHFFFAOYSA-N 1 0 359.445 2.090 50 0 FEAARO C[N@H+]1C[C@H]2CC[C@H](CN2S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)C1 ZINC000091848692 542828091 /nfs/dbraw/zinc/82/80/91/542828091.db2.gz QXGJQJVYIWHRQS-QWHCGFSZSA-N 1 0 371.462 2.120 50 0 FEAARO O=C1CCC2(CC[NH+](CCOc3ccc(F)cc3)CC2)CN1CCCO ZINC000091931690 542833427 /nfs/dbraw/zinc/83/34/27/542833427.db2.gz YOYUWAIBILVZNK-UHFFFAOYSA-N 1 0 364.461 2.292 50 0 FEAARO COc1c[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)cc1=O ZINC000091951839 542833896 /nfs/dbraw/zinc/83/38/96/542833896.db2.gz GGHMXVUUKRRBBR-HXUWFJFHSA-N 1 0 359.470 2.141 50 0 FEAARO CCCn1ncc(C(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)c1C ZINC000091986101 542835238 /nfs/dbraw/zinc/83/52/38/542835238.db2.gz SLVDSGJHVFCYCA-INIZCTEOSA-N 1 0 361.534 2.090 50 0 FEAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1c(C)nn(C)c1C)CC2 ZINC000091988335 542835474 /nfs/dbraw/zinc/83/54/74/542835474.db2.gz DTMIKUWNSZEUSQ-UHFFFAOYSA-N 1 0 370.501 2.046 50 0 FEAARO Cc1ncc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000092098956 542845998 /nfs/dbraw/zinc/84/59/98/542845998.db2.gz JHKUDMGLMZTGLE-SJORKVTESA-N 1 0 368.481 2.084 50 0 FEAARO O=C(CC[NH+]1CCN(c2cnccn2)CC1)Nc1ccc2c(c1)CCC2 ZINC000046504128 136122420 /nfs/dbraw/zinc/12/24/20/136122420.db2.gz NOLDUKMLYPWHPM-UHFFFAOYSA-N 1 0 351.454 2.116 50 0 FEAARO Oc1ccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000052798418 136124662 /nfs/dbraw/zinc/12/46/62/136124662.db2.gz RJFBFEGSLDTVCX-SFHVURJKSA-N 1 0 356.422 2.019 50 0 FEAARO O=C(CCN1C(=O)COc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000058210354 136131097 /nfs/dbraw/zinc/13/10/97/136131097.db2.gz LIRIAPZUJXPTSU-UHFFFAOYSA-N 1 0 371.481 2.279 50 0 FEAARO CC(C)OCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058380713 136131733 /nfs/dbraw/zinc/13/17/33/136131733.db2.gz FXUYYQJGIBSATL-LJQANCHMSA-N 1 0 374.529 2.257 50 0 FEAARO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@@H+](CCCc3cccnc3)C[C@@H]2C1 ZINC000095370752 542962772 /nfs/dbraw/zinc/96/27/72/542962772.db2.gz HVXVAPGTGUUQHN-IFMALSPDSA-N 1 0 371.525 2.490 50 0 FEAARO c1cnc(OC2CCN(c3ncnc4sc5c(c43)CC[NH2+]C5)CC2)nc1 ZINC000065489413 136136573 /nfs/dbraw/zinc/13/65/73/136136573.db2.gz XZSQFITVBSAABI-UHFFFAOYSA-N 1 0 368.466 2.175 50 0 FEAARO Cc1occc1C(=O)N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095373248 542963605 /nfs/dbraw/zinc/96/36/05/542963605.db2.gz LUXBXCDFQOIONK-HXUWFJFHSA-N 1 0 359.470 2.137 50 0 FEAARO C[NH+](C)[C@H]1CCN(c2cc(-c3ccc(F)cc3)nc3ccnn32)C[C@@H]1O ZINC000072418069 136145701 /nfs/dbraw/zinc/14/57/01/136145701.db2.gz HMFJCDLRHBFLKO-IRXDYDNUSA-N 1 0 355.417 2.037 50 0 FEAARO O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095373048 542963932 /nfs/dbraw/zinc/96/39/32/542963932.db2.gz DLGWFDLXLURRGA-MAUKXSAKSA-N 1 0 355.413 2.251 50 0 FEAARO Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)cc(N(C)C)[nH+]1 ZINC000072437008 136147364 /nfs/dbraw/zinc/14/73/64/136147364.db2.gz RZFVWTWHQGBMGC-UHFFFAOYSA-N 1 0 353.470 2.132 50 0 FEAARO COc1ccc([C@@H]2CN(S(=O)(=O)C3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095353228 542957544 /nfs/dbraw/zinc/95/75/44/542957544.db2.gz AJUAQFFRMYPJJT-IPMKNSEASA-N 1 0 362.495 2.049 50 0 FEAARO CC(=O)N1CC[C@]2(O)CC[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]2C1 ZINC000095367094 542960879 /nfs/dbraw/zinc/96/08/79/542960879.db2.gz QZBKFPAVDBHCDM-CRAIPNDOSA-N 1 0 354.397 2.093 50 0 FEAARO Cc1nc([C@@H]2CCCN(C(=O)CC3CC[NH+](C(C)C)CC3)C2)cc(=O)[nH]1 ZINC000095364257 542961006 /nfs/dbraw/zinc/96/10/06/542961006.db2.gz JYLROWBZLQODQY-QGZVFWFLSA-N 1 0 360.502 2.295 50 0 FEAARO CCCn1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c1C ZINC000095382820 542965474 /nfs/dbraw/zinc/96/54/74/542965474.db2.gz ZGQHIPHDBYWTAM-FUHWJXTLSA-N 1 0 360.502 2.317 50 0 FEAARO CC(C)[C@@H]1C[N@H+](Cc2ccc3occc3c2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095380329 542965511 /nfs/dbraw/zinc/96/55/11/542965511.db2.gz SXSQEIPEBCZLNZ-DLBZAZTESA-N 1 0 365.499 2.285 50 0 FEAARO O=C(c1ccc2c(c1)NC(=O)CN2)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095386000 542965904 /nfs/dbraw/zinc/96/59/04/542965904.db2.gz PJIWXGRZQMMEJV-NVXWUHKLSA-N 1 0 368.481 2.387 50 0 FEAARO COc1ccc([C@@H]2C[N@H+](Cc3c(CO)cnc(C)c3O)C[C@H]2N(C)C)cc1 ZINC000095496866 542973291 /nfs/dbraw/zinc/97/32/91/542973291.db2.gz AGBCBFNWZOUBLA-AZUAARDMSA-N 1 0 371.481 2.126 50 0 FEAARO CN(CC(N)=O)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500283 542974244 /nfs/dbraw/zinc/97/42/44/542974244.db2.gz NLPIUILAFPRGKQ-OAHLLOKOSA-N 1 0 357.420 2.377 50 0 FEAARO CN(CC(N)=O)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500282 542974269 /nfs/dbraw/zinc/97/42/69/542974269.db2.gz NLPIUILAFPRGKQ-HNNXBMFYSA-N 1 0 357.420 2.377 50 0 FEAARO Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CC2(CC[NH2+]CC2)OC1=O ZINC000095500862 542974483 /nfs/dbraw/zinc/97/44/83/542974483.db2.gz BZUNOWDHNSHOGV-KRWDZBQOSA-N 1 0 357.454 2.233 50 0 FEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](Cc1cnn(C)c1)C(N)=O ZINC000095996699 542986173 /nfs/dbraw/zinc/98/61/73/542986173.db2.gz IHUHMQLTOMGAIU-LBPRGKRZSA-N 1 0 371.268 2.169 50 0 FEAARO O=C(CC[C@H]1CCC[N@@H+](CCCO)C1)N1CCN(Cc2ccccc2)CC1 ZINC000095523736 542979842 /nfs/dbraw/zinc/97/98/42/542979842.db2.gz WXYZZJKBZBKXBA-OAQYLSRUSA-N 1 0 373.541 2.205 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(N)n[nH]2)C1 ZINC000095526275 542980968 /nfs/dbraw/zinc/98/09/68/542980968.db2.gz NIJPHNOZGSXRJW-OAHLLOKOSA-N 1 0 371.485 2.027 50 0 FEAARO Cc1nnc2n1[C@@H](C)CN(C(=O)C[NH+]1CCC(c3ccccc3)CC1)C2 ZINC000096162416 542994482 /nfs/dbraw/zinc/99/44/82/542994482.db2.gz JJANWHPFFWLECH-HNNXBMFYSA-N 1 0 353.470 2.369 50 0 FEAARO CCc1cc(N2CCC([NH2+]C[C@@H](O)c3cccc(O)c3)CC2)nc(C)n1 ZINC000096162873 542994540 /nfs/dbraw/zinc/99/45/40/542994540.db2.gz UGAQAGVIUNGSDT-LJQANCHMSA-N 1 0 356.470 2.345 50 0 FEAARO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000122934380 543732230 /nfs/dbraw/zinc/73/22/30/543732230.db2.gz AMNFPXLYLOCVGU-INIZCTEOSA-N 1 0 363.481 2.221 50 0 FEAARO O=C(CCn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1)Nc1ccccc1 ZINC000091997821 221824117 /nfs/dbraw/zinc/82/41/17/221824117.db2.gz KECRGRYBHBHJNG-UHFFFAOYSA-N 1 0 365.441 2.095 50 0 FEAARO CC[C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)[NH+]1CCCC1 ZINC000092066376 221834042 /nfs/dbraw/zinc/83/40/42/221834042.db2.gz YROWQRJRXUCCEN-QGZVFWFLSA-N 1 0 356.470 2.286 50 0 FEAARO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)c(F)c1F ZINC000095374459 221877592 /nfs/dbraw/zinc/87/75/92/221877592.db2.gz OSHJWKSLQFPOBG-AWEZNQCLSA-N 1 0 368.424 2.481 50 0 FEAARO COCCN(Cc1cnn(C)c1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095388671 221895080 /nfs/dbraw/zinc/89/50/80/221895080.db2.gz PTLMMJDZISYIMS-LJQANCHMSA-N 1 0 356.470 2.176 50 0 FEAARO COc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000095918125 221972427 /nfs/dbraw/zinc/97/24/27/221972427.db2.gz IRLZFAWDSQRDHV-INIZCTEOSA-N 1 0 361.438 2.284 50 0 FEAARO OC[C@@H]1COCC[N@@H+](C2CCN(c3nnc(-c4ccccc4)s3)CC2)C1 ZINC000096180836 222069909 /nfs/dbraw/zinc/06/99/09/222069909.db2.gz RPQUPQUFUIEKHB-OAHLLOKOSA-N 1 0 374.510 2.115 50 0 FEAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn2cccnc2n1 ZINC000097173390 222167558 /nfs/dbraw/zinc/16/75/58/222167558.db2.gz DMEOAPZQIUBHPT-QGZVFWFLSA-N 1 0 353.401 2.435 50 0 FEAARO Cn1cc(C[N@@H+]2CCCO[C@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000097610269 222198788 /nfs/dbraw/zinc/19/87/88/222198788.db2.gz VYPJKEUWEFWUQZ-HXUWFJFHSA-N 1 0 370.497 2.010 50 0 FEAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](C)CC1 ZINC000097618050 222199300 /nfs/dbraw/zinc/19/93/00/222199300.db2.gz HFAJYPCQJZVLLK-INIZCTEOSA-N 1 0 351.878 2.259 50 0 FEAARO CCOC(=O)c1nc[nH]c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000097619447 222200023 /nfs/dbraw/zinc/20/00/23/222200023.db2.gz QVYKAINFGHNHQR-HNNXBMFYSA-N 1 0 370.453 2.147 50 0 FEAARO O=C(NC[C@@H]1C[NH2+]CCOC1)Nc1ccc(OCc2ccccn2)cc1 ZINC000097638022 222201573 /nfs/dbraw/zinc/20/15/73/222201573.db2.gz RBSXZPDWGNWREM-HNNXBMFYSA-N 1 0 356.426 2.018 50 0 FEAARO Cc1c(C(=O)NC2CC[NH+](Cc3cccs3)CC2)cnc2ccnn21 ZINC000097730102 222208172 /nfs/dbraw/zinc/20/81/72/222208172.db2.gz OKJYIXLKBWBJHU-UHFFFAOYSA-N 1 0 355.467 2.494 50 0 FEAARO Cc1nc(C[NH+]2CCC3(CCN(C(=O)C4CCCC4)C[C@@H]3CO)CC2)c[nH]1 ZINC000097766378 222211789 /nfs/dbraw/zinc/21/17/89/222211789.db2.gz YAFIRUBVIRZYIC-GOSISDBHSA-N 1 0 374.529 2.331 50 0 FEAARO Cc1nc2sccn2c1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000097784790 222213536 /nfs/dbraw/zinc/21/35/36/222213536.db2.gz ODQBURUFAKEIEE-UHFFFAOYSA-N 1 0 350.513 2.358 50 0 FEAARO CC(C)C[NH2+][C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000100936640 222258013 /nfs/dbraw/zinc/25/80/13/222258013.db2.gz ODZPBAGQYIHJJQ-LBPRGKRZSA-N 1 0 372.206 2.169 50 0 FEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C(=O)CC)cc2)C1 ZINC000101612762 222279286 /nfs/dbraw/zinc/27/92/86/222279286.db2.gz XHGFHHHCWUPLHA-SJORKVTESA-N 1 0 363.454 2.294 50 0 FEAARO CCc1nnc([C@@H]2CN(c3cc(C)nc(-c4ccncc4)n3)CCO2)[nH]1 ZINC000131678725 544201423 /nfs/dbraw/zinc/20/14/23/544201423.db2.gz QCSUXXLZVFYVMF-AWEZNQCLSA-N 1 0 351.414 2.105 50 0 FEAARO COc1cc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cc2c1OCO2 ZINC000104460260 222357535 /nfs/dbraw/zinc/35/75/35/222357535.db2.gz GEZMAXCROQUKOB-MRXNPFEDSA-N 1 0 364.486 2.339 50 0 FEAARO C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@@]12CCNC(=O)CC2 ZINC000107649785 222398348 /nfs/dbraw/zinc/39/83/48/222398348.db2.gz ANRMGHWCOULHRX-HXUWFJFHSA-N 1 0 359.518 2.244 50 0 FEAARO CN(Cc1noc(C2CCCC2)n1)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426489333 263603348 /nfs/dbraw/zinc/60/33/48/263603348.db2.gz HSDMGZDKRXFLHO-OAHLLOKOSA-N 1 0 372.473 2.049 50 0 FEAARO Cc1cccc(N2CCN(C(=O)Cn3ccc([C@@H]4CCC[NH2+]C4)n3)CC2)c1 ZINC000426596488 263641535 /nfs/dbraw/zinc/64/15/35/263641535.db2.gz LHHZQPZZFSIYHF-GOSISDBHSA-N 1 0 367.497 2.007 50 0 FEAARO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@]2(CCO)CCOC2)CC1 ZINC000125451764 326472040 /nfs/dbraw/zinc/47/20/40/326472040.db2.gz KLTBGSMKWCMIKJ-IBGZPJMESA-N 1 0 366.889 2.323 50 0 FEAARO CCC[NH+]1CCN(C(=O)CN2c3cc(C)ccc3O[C@@H](CC)C2=O)CC1 ZINC000020687304 519855843 /nfs/dbraw/zinc/85/58/43/519855843.db2.gz KYGQDADXQYTHBN-KRWDZBQOSA-N 1 0 359.470 2.053 50 0 FEAARO CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCCC2=CCCCC2)CC1 ZINC000089488035 521584830 /nfs/dbraw/zinc/58/48/30/521584830.db2.gz DMFUCZCXALBGNY-UHFFFAOYSA-N 1 0 373.501 2.485 50 0 FEAARO CCCn1c(=O)c(C(=O)NCCC[NH+](CC)CC)c(O)c2c1CCCC2 ZINC000019929022 521616267 /nfs/dbraw/zinc/61/62/67/521616267.db2.gz FIKGANRWQNKLDW-UHFFFAOYSA-N 1 0 363.502 2.304 50 0 FEAARO CCNC(=O)NC(=O)CN1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000241144852 521740974 /nfs/dbraw/zinc/74/09/74/521740974.db2.gz JTQHDTLCGPXOBN-OALUTQOASA-N 1 0 372.513 2.209 50 0 FEAARO COc1cc(Br)cc(C[NH2+]CCCN2CCOCC2)c1OC ZINC000020968325 522026552 /nfs/dbraw/zinc/02/65/52/522026552.db2.gz ZYVBTINSJORIMW-UHFFFAOYSA-N 1 0 373.291 2.278 50 0 FEAARO CN(CCO)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091547989 522882383 /nfs/dbraw/zinc/88/23/83/522882383.db2.gz LWZUQSTUGHOESZ-QZTJIDSGSA-N 1 0 360.523 2.380 50 0 FEAARO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cn1 ZINC000082161097 523373433 /nfs/dbraw/zinc/37/34/33/523373433.db2.gz MSQGBSZUAYBBEW-HXUWFJFHSA-N 1 0 370.501 2.073 50 0 FEAARO C[N@@H+]1CCCN(CC(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000243957187 523808208 /nfs/dbraw/zinc/80/82/08/523808208.db2.gz CHHWJXLKTQNWJO-SFHVURJKSA-N 1 0 373.476 2.393 50 0 FEAARO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000252467605 523816947 /nfs/dbraw/zinc/81/69/47/523816947.db2.gz VGKKELZSWMMUAW-ZIAGYGMSSA-N 1 0 352.429 2.185 50 0 FEAARO Cc1ccc(CN2CCN(C(=O)[C@H](C)C[NH+]3CCCC3)CC2=O)cc1C ZINC000082138631 524455816 /nfs/dbraw/zinc/45/58/16/524455816.db2.gz OOMHFPCDUQSUNC-GOSISDBHSA-N 1 0 357.498 2.206 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)C[C@@H](C)[NH2+]1 ZINC000153681137 524867077 /nfs/dbraw/zinc/86/70/77/524867077.db2.gz VNMXAXDOHCTRRI-ZIAGYGMSSA-N 1 0 350.484 2.225 50 0 FEAARO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1S(N)(=O)=O ZINC000245237008 525057122 /nfs/dbraw/zinc/05/71/22/525057122.db2.gz AYDQVYFUEGEDBR-CABCVRRESA-N 1 0 365.499 2.093 50 0 FEAARO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000179079091 525560782 /nfs/dbraw/zinc/56/07/82/525560782.db2.gz SVUORXARCOCNOB-AWEZNQCLSA-N 1 0 363.259 2.377 50 0 FEAARO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000241439915 525589492 /nfs/dbraw/zinc/58/94/92/525589492.db2.gz NNLDAVCAVYDFLH-XUJVJEKNSA-N 1 0 358.891 2.025 50 0 FEAARO Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c1 ZINC000244673917 525659972 /nfs/dbraw/zinc/65/99/72/525659972.db2.gz HYAGFESBYBEGNV-INMHGKMJSA-N 1 0 356.474 2.127 50 0 FEAARO C[C@@H](O)c1cn(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)nn1 ZINC000020138457 525874744 /nfs/dbraw/zinc/87/47/44/525874744.db2.gz GSZHVKTYYHXOKS-OAHLLOKOSA-N 1 0 352.442 2.354 50 0 FEAARO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000242140815 525934357 /nfs/dbraw/zinc/93/43/57/525934357.db2.gz WPLWMXVVMMJOJE-JBBXEZCESA-N 1 0 368.424 2.226 50 0 FEAARO COc1cccc(OC2CN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)C2)c1 ZINC000091594176 526226090 /nfs/dbraw/zinc/22/60/90/526226090.db2.gz WXFJHJVJTJJWKE-FQEVSTJZSA-N 1 0 354.450 2.458 50 0 FEAARO Cc1nn(CCO)cc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091416887 526281513 /nfs/dbraw/zinc/28/15/13/526281513.db2.gz RWPCHCJLZVLKLB-GHTZIAJQSA-N 1 0 372.488 2.419 50 0 FEAARO NC(=O)COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000216483671 526892749 /nfs/dbraw/zinc/89/27/49/526892749.db2.gz JTSCXMIJSWOWIM-CQSZACIVSA-N 1 0 362.861 2.313 50 0 FEAARO CCCc1cnc(C)nc1N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000230152413 535436632 /nfs/dbraw/zinc/43/66/32/535436632.db2.gz SRCQOFBASKWOLS-HXUWFJFHSA-N 1 0 359.518 2.261 50 0 FEAARO COCC[NH+]1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252480029 536857237 /nfs/dbraw/zinc/85/72/37/536857237.db2.gz BSMJXWYFASRNPI-UHFFFAOYSA-N 1 0 372.435 2.333 50 0 FEAARO COCC[NH+]1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC000240002206 536858217 /nfs/dbraw/zinc/85/82/17/536858217.db2.gz POVCNMFCKAULNU-UHFFFAOYSA-N 1 0 372.435 2.333 50 0 FEAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccon3)C2)CC1 ZINC000023374546 537071160 /nfs/dbraw/zinc/07/11/60/537071160.db2.gz XYLDWGTULRAYMS-SFHVURJKSA-N 1 0 356.470 2.470 50 0 FEAARO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000215128476 548668018 /nfs/dbraw/zinc/66/80/18/548668018.db2.gz UPXQWZHBOHLIAI-ZDUSSCGKSA-N 1 0 356.850 2.214 50 0 FEAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000215283841 548669176 /nfs/dbraw/zinc/66/91/76/548669176.db2.gz RQBYVVVMLXSNAB-GOSISDBHSA-N 1 0 350.426 2.207 50 0 FEAARO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)[nH]1 ZINC000216317879 548677387 /nfs/dbraw/zinc/67/73/87/548677387.db2.gz TZGVAINFKUFTSR-GFCCVEGCSA-N 1 0 359.459 2.365 50 0 FEAARO Cc1cccc2[nH]c(CCN(C)c3cc(C4CC(O)C4)[nH+]c(N)n3)nc21 ZINC000222902970 548713201 /nfs/dbraw/zinc/71/32/01/548713201.db2.gz AVAXFXZLGJPRJJ-UHFFFAOYSA-N 1 0 352.442 2.161 50 0 FEAARO Cn1ccnc1[C@H](O)C1CCN(C(=O)CC[NH+]2Cc3ccccc3C2)CC1 ZINC000223649196 548722239 /nfs/dbraw/zinc/72/22/39/548722239.db2.gz OPQKTMOCCMYBOO-HXUWFJFHSA-N 1 0 368.481 2.098 50 0 FEAARO C[N@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H]1CCSC1 ZINC000225513575 548736523 /nfs/dbraw/zinc/73/65/23/548736523.db2.gz CGLHDJHJSHPZNR-CABCVRRESA-N 1 0 371.547 2.187 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236793838 548780600 /nfs/dbraw/zinc/78/06/00/548780600.db2.gz VPATVNNJMMXLLR-YJBOKZPZSA-N 1 0 356.470 2.312 50 0 FEAARO COc1ccccc1[C@@H]1CCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237243879 548810884 /nfs/dbraw/zinc/81/08/84/548810884.db2.gz WMYSHWCICSQZAG-KRWDZBQOSA-N 1 0 355.442 2.189 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000237399441 548823318 /nfs/dbraw/zinc/82/33/18/548823318.db2.gz BYPFRHYHNJQKPC-SKDRFNHKSA-N 1 0 365.268 2.479 50 0 FEAARO C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)[C@@H]1C[NH3+] ZINC000237457819 548828583 /nfs/dbraw/zinc/82/85/83/548828583.db2.gz LCWZQKHRUZWPBR-IUODEOHRSA-N 1 0 364.467 2.177 50 0 FEAARO Cc1ccc(N2CC[C@@H](C(=O)N3CCC(OCCC[NH3+])CC3)C2=O)cc1C ZINC000237628640 548840585 /nfs/dbraw/zinc/84/05/85/548840585.db2.gz GGQXRJBZYDONOC-IBGZPJMESA-N 1 0 373.497 2.013 50 0 FEAARO Cc1cccc(C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]2CCCO2)c1 ZINC000243901765 548889731 /nfs/dbraw/zinc/88/97/31/548889731.db2.gz BDRDWPKGDALJNQ-GOSISDBHSA-N 1 0 354.516 2.258 50 0 FEAARO C[C@H](CCC(=O)NCc1nc(C2CCCCC2)no1)[NH+]1CCN(C)CC1 ZINC000244647039 548891820 /nfs/dbraw/zinc/89/18/20/548891820.db2.gz GTXKWIRLLRTLAE-OAHLLOKOSA-N 1 0 363.506 2.150 50 0 FEAARO COc1ccc(C[N@H+](C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccnc12 ZINC000244748634 548895178 /nfs/dbraw/zinc/89/51/78/548895178.db2.gz OLNYKZPAUBDMIE-GASCZTMLSA-N 1 0 357.454 2.311 50 0 FEAARO Cc1ccccc1Cn1nc(C[NH2+]CCOCCO)c(-c2ccccc2)n1 ZINC000248154082 549412198 /nfs/dbraw/zinc/41/21/98/549412198.db2.gz LEEUEFCTVHMEOW-UHFFFAOYSA-N 1 0 366.465 2.400 50 0 FEAARO C[C@H](CCC(=O)N(C)CCc1nc2cc(F)ccc2[nH]1)[NH+]1CCOCC1 ZINC000252479977 549666926 /nfs/dbraw/zinc/66/69/26/549666926.db2.gz BRALXAGIPXWAED-CQSZACIVSA-N 1 0 362.449 2.204 50 0 FEAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000252493399 549669155 /nfs/dbraw/zinc/66/91/55/549669155.db2.gz NBKCKWVHEXIUTC-UHFFFAOYSA-N 1 0 373.497 2.203 50 0 FEAARO O=C(c1cc2ncccn2n1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000252509813 549671056 /nfs/dbraw/zinc/67/10/56/549671056.db2.gz YWEUQQIZASRYHR-UHFFFAOYSA-N 1 0 361.449 2.045 50 0 FEAARO COC(=O)c1cn(-c2ccc(C[NH+]3CCCCC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000253402076 549686701 /nfs/dbraw/zinc/68/67/01/549686701.db2.gz GAGWIINERWBOKX-UHFFFAOYSA-N 1 0 366.421 2.438 50 0 FEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000253536480 549691516 /nfs/dbraw/zinc/69/15/16/549691516.db2.gz GOVJPAAVUCWRKM-OALUTQOASA-N 1 0 367.449 2.437 50 0 FEAARO Cc1nc(C)c(CC(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c(=O)[nH]1 ZINC000253536333 549691538 /nfs/dbraw/zinc/69/15/38/549691538.db2.gz DCBBLAIJEXKUGH-SFHVURJKSA-N 1 0 372.444 2.434 50 0 FEAARO Cc1ccc(NC(=O)N2CC[C@@H](c3nnc4n3CC[N@@H+](C)CC4)C2)cc1C ZINC000257186440 549713769 /nfs/dbraw/zinc/71/37/69/549713769.db2.gz KKZPWXUFUUCZPH-MRXNPFEDSA-N 1 0 368.485 2.404 50 0 FEAARO Cn1nc2n(c1=O)CC[C@@H]([N@H+](C)Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000257190656 549714534 /nfs/dbraw/zinc/71/45/34/549714534.db2.gz NFQDOXMZVKZHDL-ZDUSSCGKSA-N 1 0 370.375 2.317 50 0 FEAARO CC(=O)N1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257193781 549715895 /nfs/dbraw/zinc/71/58/95/549715895.db2.gz ZRGZUYYAJZJTHS-IBGZPJMESA-N 1 0 353.470 2.484 50 0 FEAARO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000278436091 550785824 /nfs/dbraw/zinc/78/58/24/550785824.db2.gz KUJVFJRAVCJGKM-IAGOWNOFSA-N 1 0 373.497 2.447 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000299739008 553609773 /nfs/dbraw/zinc/60/97/73/553609773.db2.gz JJZVHVKAMPIUFL-MRXNPFEDSA-N 1 0 358.463 2.081 50 0 FEAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329028184 553867107 /nfs/dbraw/zinc/86/71/07/553867107.db2.gz OTXKDXVCJSDARQ-NZSAHSFTSA-N 1 0 353.470 2.037 50 0 FEAARO Cc1ncc2n1CC[C@H](C(=O)N1CCC[C@H](c3nnc4ccccn43)C1)C2 ZINC000329563887 553968090 /nfs/dbraw/zinc/96/80/90/553968090.db2.gz JXMFKVBZCLAGHW-HOTGVXAUSA-N 1 0 364.453 2.203 50 0 FEAARO COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1=O ZINC000332859493 554532073 /nfs/dbraw/zinc/53/20/73/554532073.db2.gz AVULQLCBFNAUGW-WBVHZDCISA-N 1 0 371.481 2.123 50 0 FEAARO CCc1noc(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)n1 ZINC000426486537 559735573 /nfs/dbraw/zinc/73/55/73/559735573.db2.gz WLKHTMGHZRZOQG-QGZVFWFLSA-N 1 0 369.469 2.017 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)CCc3ccnn3C)O2)CC1 ZINC000426509517 559736388 /nfs/dbraw/zinc/73/63/88/559736388.db2.gz RGIHIKDOGOWWSZ-LJQANCHMSA-N 1 0 374.529 2.449 50 0 FEAARO COc1ccc(CCNC(=O)N2CC[NH+](CC3CCC3)CC2)cc1OC ZINC000426590041 559738498 /nfs/dbraw/zinc/73/84/98/559738498.db2.gz UKXGUBXQKJASPH-UHFFFAOYSA-N 1 0 361.486 2.374 50 0 FEAARO Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc([C@H]2CCOC2)n1 ZINC000426693665 559740425 /nfs/dbraw/zinc/74/04/25/559740425.db2.gz FJUVCCNSFDKRRP-SFHVURJKSA-N 1 0 367.497 2.309 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000461983739 560790917 /nfs/dbraw/zinc/79/09/17/560790917.db2.gz RRQWBUXHKBFVSN-NRFANRHFSA-N 1 0 352.482 2.057 50 0 FEAARO C[C@H]1CN([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000222088978 568495834 /nfs/dbraw/zinc/49/58/34/568495834.db2.gz NTKVWQNMNACXGL-LAUBAEHRSA-N 1 0 370.541 2.107 50 0 FEAARO C[NH+](C)CC[C@H](N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000653090087 570614340 /nfs/dbraw/zinc/61/43/40/570614340.db2.gz DWBKQYHSWZACSU-AWEZNQCLSA-N 1 0 355.364 2.109 50 0 FEAARO COc1cccc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2=O)c1 ZINC000105581231 570873997 /nfs/dbraw/zinc/87/39/97/570873997.db2.gz YEDRDEYZDJTZDM-IRXDYDNUSA-N 1 0 373.497 2.286 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000047406826 570887490 /nfs/dbraw/zinc/88/74/90/570887490.db2.gz UODCXAQURKLXRW-GJZGRUSLSA-N 1 0 352.500 2.268 50 0 FEAARO O=C(COc1ccccc1Cl)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000046048085 570921886 /nfs/dbraw/zinc/92/18/86/570921886.db2.gz YAVOJHPLIKQEAG-HNNXBMFYSA-N 1 0 352.862 2.432 50 0 FEAARO CN(C)c1ccc(NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)cn1 ZINC000048091793 570933915 /nfs/dbraw/zinc/93/39/15/570933915.db2.gz CMMLMPAXAPOANN-APWZRJJASA-N 1 0 371.485 2.181 50 0 FEAARO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(N2CCCNC2=O)c1 ZINC000081412284 570944331 /nfs/dbraw/zinc/94/43/31/570944331.db2.gz LWUUMIPKSAMNHL-INIZCTEOSA-N 1 0 356.470 2.353 50 0 FEAARO O=C(NN=c1nccc[nH]1)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000096012294 571008886 /nfs/dbraw/zinc/00/88/86/571008886.db2.gz UWXZNHSPEFPDJA-IRXDYDNUSA-N 1 0 351.454 2.362 50 0 FEAARO C[C@H](NC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1)c1nc2ccccc2n1C ZINC000685941584 571101432 /nfs/dbraw/zinc/10/14/32/571101432.db2.gz DKFLXLVUCLBINX-LBPRGKRZSA-N 1 0 352.442 2.254 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2)CC1 ZINC000078305810 571141204 /nfs/dbraw/zinc/14/12/04/571141204.db2.gz TVTWFXQQPCWTGT-UHFFFAOYSA-N 1 0 353.426 2.181 50 0 FEAARO C[C@@H](NC(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1nc(-c2cccnc2)no1 ZINC000426358174 571214582 /nfs/dbraw/zinc/21/45/82/571214582.db2.gz DDTHEYFQJLMMFX-CQSZACIVSA-N 1 0 370.457 2.320 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)NCc2nc3cc(F)ccc3[nH]2)c1 ZINC000426382868 571217590 /nfs/dbraw/zinc/21/75/90/571217590.db2.gz CTXJYTRBYSBNMD-UHFFFAOYSA-N 1 0 372.400 2.368 50 0 FEAARO [NH3+]CCOc1ccc(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)cc1 ZINC000426414777 571222267 /nfs/dbraw/zinc/22/22/67/571222267.db2.gz USYGIYJZSKBGGV-INIZCTEOSA-N 1 0 353.344 2.381 50 0 FEAARO Cc1ccc2[nH]c(CNC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)nc2c1C ZINC000584897406 571315634 /nfs/dbraw/zinc/31/56/34/571315634.db2.gz ZNTBFAZMZMUUGQ-MRXNPFEDSA-N 1 0 373.501 2.432 50 0 FEAARO O=C1CC[C@H]([N@@H+]2CCC[C@@H](O)C2)CCN1CCOc1ccc(F)cc1 ZINC000011782225 669999389 /nfs/dbraw/zinc/99/93/89/669999389.db2.gz CHIZAJRLCVAVBV-DLBZAZTESA-N 1 0 350.434 2.042 50 0 FEAARO O[C@@H](COc1ccccc1CN1CCCCO1)C[NH+]1CCSCC1 ZINC000012439771 670002023 /nfs/dbraw/zinc/00/20/23/670002023.db2.gz LKFNWGQFEAIZDD-QGZVFWFLSA-N 1 0 352.500 2.003 50 0 FEAARO O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1C[N@@H+](CCO)C[C@@H]1C1CC1 ZINC000091807847 670731633 /nfs/dbraw/zinc/73/16/33/670731633.db2.gz MAAMUCXUMCWSJQ-CVEARBPZSA-N 1 0 356.388 2.067 50 0 FEAARO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)cc1Cl)CC2 ZINC000169757503 672321523 /nfs/dbraw/zinc/32/15/23/672321523.db2.gz AFBXHVKCBFODRT-UHFFFAOYSA-N 1 0 350.825 2.229 50 0 FEAARO COc1ccc(F)cc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000624389684 676576877 /nfs/dbraw/zinc/57/68/77/676576877.db2.gz HUWYDNIZXQMPLC-UHFFFAOYSA-N 1 0 350.415 2.435 50 0 FEAARO C[C@H]1CCCC[N@@H+]1CCN(C)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000952962710 681792845 /nfs/dbraw/zinc/79/28/45/681792845.db2.gz FMDHFTPQHADOQT-LBPRGKRZSA-N 1 0 353.444 2.028 50 0 FEAARO CC1(C)CC(NC(=O)C(=O)NCc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000002810297 539354689 /nfs/dbraw/zinc/35/46/89/539354689.db2.gz KUVRPTKHDIPXQG-UHFFFAOYSA-N 1 0 351.878 2.382 50 0 FEAARO COc1ccc(CC[NH2+]CC(=O)N2CCc3ccccc3C2)cc1OC ZINC000003342463 539363840 /nfs/dbraw/zinc/36/38/40/539363840.db2.gz XIKTUXJZWDQGNR-UHFFFAOYSA-N 1 0 354.450 2.421 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261693 539380929 /nfs/dbraw/zinc/38/09/29/539380929.db2.gz KMDXQYUKMCGYRY-LJQANCHMSA-N 1 0 359.514 2.126 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(=O)CC)cc2)C1 ZINC000004320414 539381683 /nfs/dbraw/zinc/38/16/83/539381683.db2.gz XHGFHHHCWUPLHA-DLBZAZTESA-N 1 0 363.454 2.294 50 0 FEAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCC(=O)NC(C)(C)C ZINC000004999694 539399739 /nfs/dbraw/zinc/39/97/39/539399739.db2.gz KDJJAMKTSYZVRW-OAHLLOKOSA-N 1 0 350.459 2.257 50 0 FEAARO C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1CN(Cc1ccccc1)CC2 ZINC000005386572 539409993 /nfs/dbraw/zinc/40/99/93/539409993.db2.gz PIRMRYPNVWMRTF-UHFFFAOYSA-N 1 0 365.485 2.072 50 0 FEAARO Cc1c(OCC(=O)NCCC[NH+](C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000006659760 539432804 /nfs/dbraw/zinc/43/28/04/539432804.db2.gz DZDYUYCAGDYHFE-UHFFFAOYSA-N 1 0 358.438 2.037 50 0 FEAARO C[N@@H+]1CCN(Cn2ncc(Cl)c(Cl)c2=O)[C@@H](c2ccccc2)C1 ZINC000032935377 210102381 /nfs/dbraw/zinc/10/23/81/210102381.db2.gz GGQMVTKLJIEDOX-CQSZACIVSA-N 1 0 353.253 2.496 50 0 FEAARO COc1ccccc1C(=O)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000011697770 539532921 /nfs/dbraw/zinc/53/29/21/539532921.db2.gz GNCMYTSQDBEQPK-UHFFFAOYSA-N 1 0 364.409 2.466 50 0 FEAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc2c(c1)no[n+]2[O-] ZINC000012094516 539542585 /nfs/dbraw/zinc/54/25/85/539542585.db2.gz STWZWIQPAQFMBS-OAHLLOKOSA-N 1 0 358.442 2.378 50 0 FEAARO CCOc1c(Br)cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1OC ZINC000191373449 210075057 /nfs/dbraw/zinc/07/50/57/210075057.db2.gz HTFVNXRFGGVPRM-LLVKDONJSA-N 1 0 357.248 2.420 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000012180130 539547879 /nfs/dbraw/zinc/54/78/79/539547879.db2.gz QMGKANATMRUCEC-FUHWJXTLSA-N 1 0 358.486 2.192 50 0 FEAARO O=C(Nc1ccc2c(c1)C[N@@H+](CCCn1cccn1)CC2)[C@H]1CCCO1 ZINC000012300315 539553471 /nfs/dbraw/zinc/55/34/71/539553471.db2.gz DEMTVAXXRFPLIW-LJQANCHMSA-N 1 0 354.454 2.449 50 0 FEAARO COc1ccc(C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)c(OC)c1 ZINC000047609846 210060508 /nfs/dbraw/zinc/06/05/08/210060508.db2.gz RAPFBAKVVLBHPL-UHFFFAOYSA-N 1 0 355.438 2.493 50 0 FEAARO CCOC(=O)CCNC(=O)N1CCC[C@@H]([N@H+](CC)Cc2ccncc2)C1 ZINC000012434761 539560530 /nfs/dbraw/zinc/56/05/30/539560530.db2.gz IMACIRJXGXNYGK-QGZVFWFLSA-N 1 0 362.474 2.031 50 0 FEAARO O=C(N[C@@H](c1ccco1)C(F)(F)F)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012459790 539561343 /nfs/dbraw/zinc/56/13/43/539561343.db2.gz WJKAMTKYEBJXFJ-AWEZNQCLSA-N 1 0 371.363 2.390 50 0 FEAARO CC[NH+](CC)CC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012472798 539562071 /nfs/dbraw/zinc/56/20/71/539562071.db2.gz AZXUIPJOEDFEQI-AWEZNQCLSA-N 1 0 371.403 2.264 50 0 FEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(=O)n4ccc(C)cc4n3)[C@H]2C1 ZINC000299796022 210035287 /nfs/dbraw/zinc/03/52/87/210035287.db2.gz NIIFYOUMJPAHIB-FUHIMQAGSA-N 1 0 357.454 2.161 50 0 FEAARO Cc1ccc(CN(C)CC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000299793501 210034038 /nfs/dbraw/zinc/03/40/38/210034038.db2.gz HRXSHMYJOICAOR-HXUWFJFHSA-N 1 0 359.514 2.186 50 0 FEAARO Cc1nc(C)c(CC(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC000299792182 210033447 /nfs/dbraw/zinc/03/34/47/210033447.db2.gz DKGGJNXDNXRTRI-SFHVURJKSA-N 1 0 368.481 2.370 50 0 FEAARO COCCN1C[C@@H](C[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)CC1=O ZINC000299781036 210024357 /nfs/dbraw/zinc/02/43/57/210024357.db2.gz HJBYWJZCYDIEOG-CQSZACIVSA-N 1 0 374.460 2.376 50 0 FEAARO O=C1N[C@@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccsc1 ZINC000299773897 210018132 /nfs/dbraw/zinc/01/81/32/210018132.db2.gz FUWAGKRQPUSKRZ-GOSISDBHSA-N 1 0 356.451 2.090 50 0 FEAARO C[C@@H]1C[N@@H+](CCC(=O)N(C)Cc2cccc(-n3cccn3)c2)C[C@H](C)O1 ZINC000299755502 210008978 /nfs/dbraw/zinc/00/89/78/210008978.db2.gz DRSBPEPMRCUZSK-CALCHBBNSA-N 1 0 356.470 2.330 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccccc1C(F)(F)F ZINC000223288112 222773400 /nfs/dbraw/zinc/77/34/00/222773400.db2.gz GQJGLVIBSCORAF-HUUCEWRRSA-N 1 0 360.376 2.171 50 0 FEAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000023127381 539706761 /nfs/dbraw/zinc/70/67/61/539706761.db2.gz YCZBKVMIZWLVRE-UHFFFAOYSA-N 1 0 373.453 2.125 50 0 FEAARO COc1ccccc1CNC(=O)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127401 539706851 /nfs/dbraw/zinc/70/68/51/539706851.db2.gz ZQLLPKAMQQWODA-UHFFFAOYSA-N 1 0 373.497 2.082 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccs1 ZINC000025385477 539758956 /nfs/dbraw/zinc/75/89/56/539758956.db2.gz FHGULYXRCQAFIW-CQSZACIVSA-N 1 0 367.496 2.152 50 0 FEAARO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H]2Cc2ccccc2)NC(=O)N[C@@H]1C ZINC000025440421 539759941 /nfs/dbraw/zinc/75/99/41/539759941.db2.gz SAAXFIUAGUJFQO-ZBFHGGJFSA-N 1 0 357.454 2.212 50 0 FEAARO COC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000026455906 539787596 /nfs/dbraw/zinc/78/75/96/539787596.db2.gz IACGZNKMBXRIEP-SFHVURJKSA-N 1 0 373.453 2.352 50 0 FEAARO COC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000026455902 539787745 /nfs/dbraw/zinc/78/77/45/539787745.db2.gz IACGZNKMBXRIEP-GOSISDBHSA-N 1 0 373.453 2.352 50 0 FEAARO COc1ccc([C@H]2CCC[N@@H+]2CCn2nc3ccccn3c2=O)c(OC)c1 ZINC000026908139 539796961 /nfs/dbraw/zinc/79/69/61/539796961.db2.gz FPLNSUPZDMZYQV-QGZVFWFLSA-N 1 0 368.437 2.350 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)[NH+](C)C)cc1 ZINC000032200444 539930439 /nfs/dbraw/zinc/93/04/39/539930439.db2.gz YYHJRAWFDIILMB-GOSISDBHSA-N 1 0 367.453 2.318 50 0 FEAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COC(C)C ZINC000036097168 539986802 /nfs/dbraw/zinc/98/68/02/539986802.db2.gz XTHDQQPHZDRANR-QGZVFWFLSA-N 1 0 355.475 2.328 50 0 FEAARO Cc1cccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCC(C)C)c1 ZINC000036098597 539986896 /nfs/dbraw/zinc/98/68/96/539986896.db2.gz RIWBNLYJRXEAJS-OAQYLSRUSA-N 1 0 364.530 2.163 50 0 FEAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)Cc2cccc(F)c2)CC1 ZINC000040089779 540005792 /nfs/dbraw/zinc/00/57/92/540005792.db2.gz WCTAQYWDZZGVJC-UHFFFAOYSA-N 1 0 355.457 2.432 50 0 FEAARO COC(=O)CC[N@H+](CC(C)C)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000040151390 540008125 /nfs/dbraw/zinc/00/81/25/540008125.db2.gz UKLKPHUBVGGPSX-UHFFFAOYSA-N 1 0 353.463 2.110 50 0 FEAARO O=C(Cc1ccccc1)NCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000040158561 540008746 /nfs/dbraw/zinc/00/87/46/540008746.db2.gz GEQNBEBOKXYQTM-UHFFFAOYSA-N 1 0 357.498 2.070 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000041442667 540021943 /nfs/dbraw/zinc/02/19/43/540021943.db2.gz BBRBNIOLTKXWHJ-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO O=S(=O)(c1ccccc1)c1cnc2c(cccc2N2CC[NH2+]CC2)c1 ZINC000043199965 540093494 /nfs/dbraw/zinc/09/34/94/540093494.db2.gz JJZFWROHYSMCMU-UHFFFAOYSA-N 1 0 353.447 2.477 50 0 in-man FEAARO CS(=O)(=O)NC1CC[NH+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000252490675 222973322 /nfs/dbraw/zinc/97/33/22/222973322.db2.gz KYWOAXLDOQIQSX-UHFFFAOYSA-N 1 0 374.462 2.024 50 0 FEAARO C[NH+](C)C1(CNC(=O)c2cccc(S(C)(=O)=O)c2)CCCCCC1 ZINC000048236246 540352959 /nfs/dbraw/zinc/35/29/59/540352959.db2.gz FVOCETYVZTZYQK-UHFFFAOYSA-N 1 0 352.500 2.475 50 0 FEAARO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000048354796 540358543 /nfs/dbraw/zinc/35/85/43/540358543.db2.gz RSQRKKOKTDOEFQ-CYBMUJFWSA-N 1 0 351.447 2.135 50 0 FEAARO CC[NH+](CC)CCC[NH2+][C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000054173061 540573243 /nfs/dbraw/zinc/57/32/43/540573243.db2.gz CPLHFFFGFNRHGG-OAHLLOKOSA-N 1 0 355.866 2.443 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)CCn1c(C)cc(C)nc1=O)c1ccco1 ZINC000055270849 540641886 /nfs/dbraw/zinc/64/18/86/540641886.db2.gz JUSSKLPYQBQAAO-INIZCTEOSA-N 1 0 360.458 2.043 50 0 FEAARO Cc1sc(N2CC[NH+](C)CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000057352332 540790998 /nfs/dbraw/zinc/79/09/98/540790998.db2.gz ZXJSUEBXSCCKPA-UHFFFAOYSA-N 1 0 366.512 2.242 50 0 FEAARO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000058161007 540830246 /nfs/dbraw/zinc/83/02/46/540830246.db2.gz CTSMJRRRASDSDK-AWEZNQCLSA-N 1 0 364.456 2.386 50 0 FEAARO O=C(NC1CCCCC1)[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000058181619 540831991 /nfs/dbraw/zinc/83/19/91/540831991.db2.gz HCMGXCZOAUNGTH-AWEZNQCLSA-N 1 0 374.510 2.417 50 0 FEAARO CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000058184895 540832198 /nfs/dbraw/zinc/83/21/98/540832198.db2.gz ALTSHPGUXZLJRN-ZDUSSCGKSA-N 1 0 367.877 2.212 50 0 FEAARO COc1ccc(C[NH+]2CCC(CNS(=O)(=O)N(C)C(C)C)CC2)cc1 ZINC000058210355 540834027 /nfs/dbraw/zinc/83/40/27/540834027.db2.gz RPZJRFDFCTVRGP-UHFFFAOYSA-N 1 0 369.531 2.082 50 0 FEAARO CC(C)c1ccc(NC(=O)c2cnn3c2n(C)c2c(c3=O)C[NH2+]CC2)cc1 ZINC000064966157 541222082 /nfs/dbraw/zinc/22/20/82/541222082.db2.gz DQJJPXNUKUPRSL-UHFFFAOYSA-N 1 0 365.437 2.054 50 0 FEAARO CCCN1C[C@@H](Nc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CC1=O ZINC000067540325 541477456 /nfs/dbraw/zinc/47/74/56/541477456.db2.gz KHLTXMMQBKEYQW-HNNXBMFYSA-N 1 0 351.454 2.212 50 0 FEAARO Cc1ccccc1-c1ncc(CN2CC[NH2+][C@@H](C(=O)NC3CC3)C2)s1 ZINC000072124205 541784240 /nfs/dbraw/zinc/78/42/40/541784240.db2.gz XTDTUBFJCUTHPF-QGZVFWFLSA-N 1 0 356.495 2.171 50 0 FEAARO CC[C@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 ZINC000072133230 541785396 /nfs/dbraw/zinc/78/53/96/541785396.db2.gz PZWUYTVJXRLHDJ-OAHLLOKOSA-N 1 0 368.485 2.195 50 0 FEAARO NC(=O)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1=O ZINC000072122551 541784470 /nfs/dbraw/zinc/78/44/70/541784470.db2.gz LCADSGFLSQHCLF-HXUWFJFHSA-N 1 0 369.852 2.316 50 0 FEAARO C[C@H](O)CNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072146921 541788432 /nfs/dbraw/zinc/78/84/32/541788432.db2.gz AUXSHIGIWMTLJD-KRWDZBQOSA-N 1 0 352.478 2.196 50 0 FEAARO NC(=O)c1cnn2cc(-c3cc(O)cc(CC[C@@H]4CCCC[NH2+]4)c3)cnc12 ZINC000072151848 541790117 /nfs/dbraw/zinc/79/01/17/541790117.db2.gz WXSGFZHPWKUFEP-INIZCTEOSA-N 1 0 365.437 2.276 50 0 FEAARO Cc1cccc(C[N@H+]2CC=C(C(=O)N3CCC4(CC3)OCCO4)CC2)c1 ZINC000064818021 212045689 /nfs/dbraw/zinc/04/56/89/212045689.db2.gz QPPJDPWDLUCADE-UHFFFAOYSA-N 1 0 356.466 2.493 50 0 FEAARO CC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072168483 541794906 /nfs/dbraw/zinc/79/49/06/541794906.db2.gz CUMGXTCXYHXEDV-UXHICEINSA-N 1 0 351.450 2.479 50 0 FEAARO CCc1cc(N2CCC[C@@]3(CN(C)C(=O)O3)CC2)nc(N2CCCC2)[nH+]1 ZINC000072171520 541796097 /nfs/dbraw/zinc/79/60/97/541796097.db2.gz DKMXVRKEYADNJK-IBGZPJMESA-N 1 0 359.474 2.450 50 0 FEAARO O=C(CNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000063857077 212034625 /nfs/dbraw/zinc/03/46/25/212034625.db2.gz NGHXKWDAJHQTNJ-RDTXWAMCSA-N 1 0 371.403 2.011 50 0 FEAARO CC(C)Oc1ccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c(F)c1 ZINC000072270425 541796918 /nfs/dbraw/zinc/79/69/18/541796918.db2.gz ZNYPVYYZWRPVKU-AWEZNQCLSA-N 1 0 352.454 2.370 50 0 FEAARO O=c1ccc(-c2ccco2)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000072402271 541804697 /nfs/dbraw/zinc/80/46/97/541804697.db2.gz XSFLZODLIWAQBI-UHFFFAOYSA-N 1 0 350.422 2.279 50 0 FEAARO O=C1CC[C@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@H]2N1CCCO ZINC000072409745 541806431 /nfs/dbraw/zinc/80/64/31/541806431.db2.gz DGHNMOMMUNIXSE-FXAWDEMLSA-N 1 0 353.466 2.430 50 0 FEAARO O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072431311 541812777 /nfs/dbraw/zinc/81/27/77/541812777.db2.gz ABVWKGHVHYIEHG-OAHLLOKOSA-N 1 0 373.888 2.139 50 0 FEAARO COCCc1ncc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)cn1 ZINC000072433711 541813776 /nfs/dbraw/zinc/81/37/76/541813776.db2.gz BYLRRPFCRDHTMG-FQEVSTJZSA-N 1 0 355.482 2.481 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cc3ccccc3oc2=O)n1 ZINC000072437397 541814045 /nfs/dbraw/zinc/81/40/45/541814045.db2.gz RNIWIILBFSLFFI-UHFFFAOYSA-N 1 0 367.409 2.165 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072462597 541816919 /nfs/dbraw/zinc/81/69/19/541816919.db2.gz GHBKWTBOOYQDRT-INIZCTEOSA-N 1 0 361.534 2.284 50 0 FEAARO CCn1c2ccc(-n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)cc2oc1=O ZINC000072468933 541817891 /nfs/dbraw/zinc/81/78/91/541817891.db2.gz SGDNKJRIIAYBJT-UHFFFAOYSA-N 1 0 364.409 2.157 50 0 FEAARO CC(C)c1noc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072472974 541818368 /nfs/dbraw/zinc/81/83/68/541818368.db2.gz XRVLMAFHWHNJCI-MRXNPFEDSA-N 1 0 372.473 2.179 50 0 FEAARO CCN1C[C@@]2(CCC[N@H+](CC(=O)NCc3ccccc3C)C2)CCC1=O ZINC000072453704 541815741 /nfs/dbraw/zinc/81/57/41/541815741.db2.gz ZHVUPVRJMXKMTE-NRFANRHFSA-N 1 0 357.498 2.336 50 0 FEAARO CCOCc1nc2c(c(NCCCc3c(C)noc3C)n1)CC[NH2+]CC2 ZINC000072478044 541820399 /nfs/dbraw/zinc/82/03/99/541820399.db2.gz NRYJLWOGHXKHSU-UHFFFAOYSA-N 1 0 359.474 2.351 50 0 FEAARO CCc1cc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)on1 ZINC000072477346 541820442 /nfs/dbraw/zinc/82/04/42/541820442.db2.gz ZFBQQZJVPSYXFG-HNNXBMFYSA-N 1 0 358.490 2.341 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCC(O)CC3)C2=O)cc1 ZINC000012711012 220019248 /nfs/dbraw/zinc/01/92/48/220019248.db2.gz HCIMIAXTCQSGJU-OAQYLSRUSA-N 1 0 360.498 2.120 50 0 FEAARO C[NH+](C)CC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000058268203 212001309 /nfs/dbraw/zinc/00/13/09/212001309.db2.gz ILKWYMSTCNERSL-UHFFFAOYSA-N 1 0 359.257 2.231 50 0 FEAARO CC(C)[N@H+](C)CC(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000058304598 212003385 /nfs/dbraw/zinc/00/33/85/212003385.db2.gz XGBMPEULAVEVFZ-UHFFFAOYSA-N 1 0 356.264 2.234 50 0 FEAARO Cc1csc(NC(=O)CN2CC[NH+](CCc3cccs3)CC2)n1 ZINC000058162287 211987652 /nfs/dbraw/zinc/98/76/52/211987652.db2.gz NMFURJNCEBXPEL-UHFFFAOYSA-N 1 0 350.513 2.312 50 0 FEAARO CN1CCC([N@@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000023340390 211384266 /nfs/dbraw/zinc/38/42/66/211384266.db2.gz BIBTYNDEPPOZBA-ZWKOTPCHSA-N 1 0 363.889 2.482 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(NC(=O)C3CC3)s2)C1 ZINC000022693932 211359825 /nfs/dbraw/zinc/35/98/25/211359825.db2.gz AKWGCNBYTOBCGP-CQSZACIVSA-N 1 0 365.499 2.183 50 0 FEAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-n2cnnn2)cc1 ZINC000022277124 211345995 /nfs/dbraw/zinc/34/59/95/211345995.db2.gz XVGOXNJFWBPXNM-UHFFFAOYSA-N 1 0 364.453 2.434 50 0 FEAARO O=C(CCn1cccc1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000021016633 211303864 /nfs/dbraw/zinc/30/38/64/211303864.db2.gz MGJJVGNEHODPGI-UHFFFAOYSA-N 1 0 354.498 2.202 50 0 FEAARO CC[NH+](CC)CCCN(C)C(=O)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000020921553 211298906 /nfs/dbraw/zinc/29/89/06/211298906.db2.gz KLWSBDPKMFZEBZ-UHFFFAOYSA-N 1 0 360.458 2.478 50 0 FEAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000020363258 211276899 /nfs/dbraw/zinc/27/68/99/211276899.db2.gz ZHOCVIMVRKQRET-MRXNPFEDSA-N 1 0 359.495 2.421 50 0 FEAARO COc1cc(CN2CCC([NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000019889178 211259372 /nfs/dbraw/zinc/25/93/72/211259372.db2.gz KPJAVWMEGKVMFL-UHFFFAOYSA-N 1 0 350.459 2.009 50 0 FEAARO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c1OCO2 ZINC000016672171 211166138 /nfs/dbraw/zinc/16/61/38/211166138.db2.gz AEIQMEFSTCRETL-CABCVRRESA-N 1 0 354.406 2.205 50 0 FEAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CC[C@H](O)C2)Cc2ccccc2C1 ZINC000015065388 211117928 /nfs/dbraw/zinc/11/79/28/211117928.db2.gz OWUHAVCKSHAZHQ-NRFANRHFSA-N 1 0 364.489 2.292 50 0 FEAARO Cn1cc(CN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)cn1 ZINC000014992856 211113423 /nfs/dbraw/zinc/11/34/23/211113423.db2.gz JXZLFZJGBLFKIJ-QGZVFWFLSA-N 1 0 360.433 2.109 50 0 FEAARO COc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000014543247 211095197 /nfs/dbraw/zinc/09/51/97/211095197.db2.gz HTOVOZQVAPKYMF-MRXNPFEDSA-N 1 0 368.481 2.312 50 0 FEAARO C[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3sc4ccccc4c3Cl)CN2C1=O ZINC000014751144 211100909 /nfs/dbraw/zinc/10/09/09/211100909.db2.gz XXQJUOANLACEGP-NHCYSSNCSA-N 1 0 363.870 2.132 50 0 FEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCSC)C2 ZINC000014744451 211100786 /nfs/dbraw/zinc/10/07/86/211100786.db2.gz QKVGWFWFBADVSA-CQSZACIVSA-N 1 0 350.532 2.339 50 0 FEAARO CC(C)C[N@H+](C)[C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014749514 211100025 /nfs/dbraw/zinc/10/00/25/211100025.db2.gz HHASFBLBNIFCMV-INIZCTEOSA-N 1 0 355.486 2.190 50 0 FEAARO C[NH+]1CCC2(CC1)OCCN2C(=O)COc1ccc(Br)cc1 ZINC000013690531 211049953 /nfs/dbraw/zinc/04/99/53/211049953.db2.gz CQUBPILINDLEQL-UHFFFAOYSA-N 1 0 369.259 2.109 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000012588951 210974789 /nfs/dbraw/zinc/97/47/89/210974789.db2.gz XXOZPUGJNVRETR-KRWDZBQOSA-N 1 0 355.482 2.282 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077298241 542363326 /nfs/dbraw/zinc/36/33/26/542363326.db2.gz SGZHEAUWAURHKO-GOSISDBHSA-N 1 0 354.397 2.351 50 0 FEAARO Cc1nc(C(C)C)sc1C(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077299893 542363426 /nfs/dbraw/zinc/36/34/26/542363426.db2.gz OSRITHYMEJNGQY-MRXNPFEDSA-N 1 0 362.543 2.427 50 0 FEAARO [NH3+]CCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004322663 210523596 /nfs/dbraw/zinc/52/35/96/210523596.db2.gz QXXANJFUYMPTRI-UHFFFAOYSA-N 1 0 350.284 2.351 50 0 FEAARO Cc1ccc(OC2(C(=O)NCCNc3ncccc3C)CC[NH2+]CC2)cc1 ZINC000077377519 542374581 /nfs/dbraw/zinc/37/45/81/542374581.db2.gz PMVJSNMFRCERFZ-UHFFFAOYSA-N 1 0 368.481 2.428 50 0 FEAARO Cn1cccc1[C@@H](CNC(=O)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000021152985 220353118 /nfs/dbraw/zinc/35/31/18/220353118.db2.gz DDMZUAXUFOIDMH-GOSISDBHSA-N 1 0 360.889 2.397 50 0 FEAARO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000058172614 221102811 /nfs/dbraw/zinc/10/28/11/221102811.db2.gz KDGJTIQHIFBQMV-LBPRGKRZSA-N 1 0 358.442 2.200 50 0 FEAARO COc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000065362246 221202757 /nfs/dbraw/zinc/20/27/57/221202757.db2.gz VXTHXUOKEVKRSZ-UHFFFAOYSA-N 1 0 355.442 2.236 50 0 FEAARO CN1Cc2ccccc2C[C@@H]1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065376505 221206688 /nfs/dbraw/zinc/20/66/88/221206688.db2.gz YKJVZWLKFXHRIC-OAHLLOKOSA-N 1 0 366.490 2.160 50 0 FEAARO CN(CCn1ccc2ccccc21)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065384372 221207214 /nfs/dbraw/zinc/20/72/14/221207214.db2.gz OEFQQMUPPOPYOB-INIZCTEOSA-N 1 0 366.469 2.005 50 0 FEAARO CCN(C(C)=O)[C@@H]1CCN(c2nc(CC[NH3+])nc3sc(C)c(C)c32)C1 ZINC000065406477 221214526 /nfs/dbraw/zinc/21/45/26/221214526.db2.gz ABHHTBYJQFAQBI-CQSZACIVSA-N 1 0 361.515 2.256 50 0 FEAARO Cc1ncccc1OC1(C(=O)N(Cc2nccn2C)C(C)C)CC[NH2+]CC1 ZINC000065407762 221215229 /nfs/dbraw/zinc/21/52/29/221215229.db2.gz AHFFZUPYKXWWKH-UHFFFAOYSA-N 1 0 371.485 2.062 50 0 FEAARO Cc1nn(C)c(C)c1NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000065455719 221220556 /nfs/dbraw/zinc/22/05/56/221220556.db2.gz JLAOWVCCECYELT-HDICACEKSA-N 1 0 353.470 2.225 50 0 FEAARO C[C@@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000065470713 221222641 /nfs/dbraw/zinc/22/26/41/221222641.db2.gz XMRLQVORKBMGJU-CYBMUJFWSA-N 1 0 364.442 2.196 50 0 FEAARO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)cc1 ZINC000065491868 221225896 /nfs/dbraw/zinc/22/58/96/221225896.db2.gz FOGJHJRPKURXHH-KRWDZBQOSA-N 1 0 366.465 2.464 50 0 FEAARO COCC[NH+]1CCC(c2c(-c3ccccc3)ncn2CCOCCO)CC1 ZINC000065496117 221227268 /nfs/dbraw/zinc/22/72/68/221227268.db2.gz FLTFQGDLLGQCBF-UHFFFAOYSA-N 1 0 373.497 2.385 50 0 FEAARO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1OC)N[C@]2(CO)c1ccccc1 ZINC000065527906 221230811 /nfs/dbraw/zinc/23/08/11/221230811.db2.gz AULXTWNSSAPONY-RCLSDMTESA-N 1 0 353.466 2.190 50 0 FEAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2ccc(F)cc2Cl)[nH+]1 ZINC000067613679 221262305 /nfs/dbraw/zinc/26/23/05/221262305.db2.gz MSEFVDVOMGWHSX-UHFFFAOYSA-N 1 0 351.813 2.485 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000067689126 221272412 /nfs/dbraw/zinc/27/24/12/221272412.db2.gz LXJVUENLTNZXEY-CYBMUJFWSA-N 1 0 373.409 2.149 50 0 FEAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000067743843 221279799 /nfs/dbraw/zinc/27/97/99/221279799.db2.gz OTQYZTVAZCWWPE-LIRRHRJNSA-N 1 0 368.481 2.113 50 0 FEAARO COC(=O)c1cc2n(n1)CCC[N@@H+]([C@@H]1CCc3ccc(OC)cc3C1)C2 ZINC000067772192 221282846 /nfs/dbraw/zinc/28/28/46/221282846.db2.gz YCYKCHYIOBCESO-MRXNPFEDSA-N 1 0 355.438 2.442 50 0 FEAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067787840 221285421 /nfs/dbraw/zinc/28/54/21/221285421.db2.gz BBEUCFCDRKCAAW-KDOFPFPSSA-N 1 0 363.417 2.102 50 0 FEAARO Cc1cnccc1C[N@@H+](C)C[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067789204 221286125 /nfs/dbraw/zinc/28/61/25/221286125.db2.gz FJMRTCSKLUCTSE-JOCHJYFZSA-N 1 0 367.493 2.418 50 0 FEAARO O=C(N[C@H]1CCC[NH2+]C1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000067895192 221302074 /nfs/dbraw/zinc/30/20/74/221302074.db2.gz SDVWAKLUWBTPDJ-LBPRGKRZSA-N 1 0 368.359 2.489 50 0 FEAARO Nc1nc2c(s1)CN(c1nc(-c3ccccc3)nc3c1CC[NH2+]C3)CC2 ZINC000067921536 221305140 /nfs/dbraw/zinc/30/51/40/221305140.db2.gz JVYOSIXCNJTHTN-UHFFFAOYSA-N 1 0 364.478 2.391 50 0 FEAARO CCS(=O)(=O)Nc1ccc(C(=O)N2CC[N@H+](C(C)C)[C@@H](C)C2)cc1 ZINC000067946774 221306998 /nfs/dbraw/zinc/30/69/98/221306998.db2.gz XOSXMLLIUROPSE-AWEZNQCLSA-N 1 0 353.488 2.003 50 0 FEAARO CC(C)[C@@H]1CN(S(=O)(=O)N(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071745662 221358666 /nfs/dbraw/zinc/35/86/66/221358666.db2.gz ZAESGKRVNZOBFS-KRWDZBQOSA-N 1 0 357.495 2.164 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccn3)CC2)C1 ZINC000071748523 221359537 /nfs/dbraw/zinc/35/95/37/221359537.db2.gz UEZAXVZHLSLWMU-QGZVFWFLSA-N 1 0 356.514 2.079 50 0 FEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CC(F)F)CC2)C1 ZINC000071760332 221367716 /nfs/dbraw/zinc/36/77/16/221367716.db2.gz TZHFRHRQPHNXLU-HNNXBMFYSA-N 1 0 366.456 2.139 50 0 FEAARO COc1ccnc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707913 221354143 /nfs/dbraw/zinc/35/41/43/221354143.db2.gz PHRDYARHYXYIHZ-MRXNPFEDSA-N 1 0 372.513 2.045 50 0 FEAARO Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071762176 221370174 /nfs/dbraw/zinc/37/01/74/221370174.db2.gz GNDFMZAMFGEYMO-UHFFFAOYSA-N 1 0 351.454 2.453 50 0 FEAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000085468224 542728081 /nfs/dbraw/zinc/72/80/81/542728081.db2.gz SIYQHGNXTJCZRA-CQSZACIVSA-N 1 0 351.441 2.453 50 0 FEAARO C[NH+]1CCN(c2ccc(C(=O)N3Cc4ccccc4[C@H](O)C3)cc2)CC1 ZINC000082146845 132197426 /nfs/dbraw/zinc/19/74/26/132197426.db2.gz DNXFNBOSNJCUND-HXUWFJFHSA-N 1 0 351.450 2.128 50 0 FEAARO CCCc1cncnc1N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091574858 132202400 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CCC[C@H](C(=O)NCC(=O)Nc1ccc(Br)cc1)[NH+](C)C ZINC000089949408 542776247 /nfs/dbraw/zinc/77/62/47/542776247.db2.gz LLDGKJRIGAPSOR-CYBMUJFWSA-N 1 0 356.264 2.234 50 0 FEAARO [NH3+]C[C@@H]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1 ZINC000091381645 542806423 /nfs/dbraw/zinc/80/64/23/542806423.db2.gz CFMXXDBHGQFRER-JHMRYYBSSA-N 1 0 370.497 2.049 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1snnc1C)CC2 ZINC000091390707 542806428 /nfs/dbraw/zinc/80/64/28/542806428.db2.gz OUJVLJPMNJDEGT-UHFFFAOYSA-N 1 0 374.514 2.359 50 0 FEAARO CN1CC[C@@]2(CN(Cc3ccc(-n4ccnc4)cc3)CC[N@@H+]2C)CCC1=O ZINC000091390837 542806461 /nfs/dbraw/zinc/80/64/61/542806461.db2.gz DOMGHBFBUNPNNX-OAQYLSRUSA-N 1 0 367.497 2.001 50 0 FEAARO O=C(c1ccccc1)N1CCC[C@@H](N2CC3(CC[NH2+]CC3)CCC2=O)C1 ZINC000091643577 542817402 /nfs/dbraw/zinc/81/74/02/542817402.db2.gz ICHHDUDZQFRGHK-GOSISDBHSA-N 1 0 355.482 2.283 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3cccc(OC)c3n2)C[C@@H]1CO ZINC000091663950 542819075 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FEAARO CCOc1ccccc1NC(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000092022571 542838855 /nfs/dbraw/zinc/83/88/55/542838855.db2.gz ZWECNRPLFBPCIQ-HXUWFJFHSA-N 1 0 374.485 2.246 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1sc(C)nc1C)CC2 ZINC000092028254 542838945 /nfs/dbraw/zinc/83/89/45/542838945.db2.gz HXNGOEPNVGZGSN-UHFFFAOYSA-N 1 0 359.499 2.493 50 0 FEAARO CC1(C)Cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(S(C)(=O)=O)C4)ccc2O1 ZINC000095369707 542962275 /nfs/dbraw/zinc/96/22/75/542962275.db2.gz VZZBTCYLGPLPKI-NVXWUHKLSA-N 1 0 364.511 2.256 50 0 FEAARO COc1ccc(CCCNC(=O)c2ccc(N3CCC([NH3+])CC3)nc2)cc1 ZINC000067648912 136137347 /nfs/dbraw/zinc/13/73/47/136137347.db2.gz SWBJHCBVBNAUBH-UHFFFAOYSA-N 1 0 368.481 2.380 50 0 FEAARO C[C@@H](NC(=O)CCn1ccnc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000069583018 136138070 /nfs/dbraw/zinc/13/80/70/136138070.db2.gz HUJTVJKGUDJTEE-OAHLLOKOSA-N 1 0 359.449 2.042 50 0 FEAARO O[C@H]1CCC[N@@H+](C2CCN(c3nccc(CCC(F)(F)F)n3)CC2)C1 ZINC000071758979 136140462 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COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccc(F)cc1F)C2 ZINC000095374833 542963906 /nfs/dbraw/zinc/96/39/06/542963906.db2.gz XPLIVLCMOAKZHX-RHSMWYFYSA-N 1 0 352.425 2.467 50 0 FEAARO Cc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072446888 136147968 /nfs/dbraw/zinc/14/79/68/136147968.db2.gz TYLMLRDOFFWCOB-UHFFFAOYSA-N 1 0 365.481 2.277 50 0 FEAARO NC(=O)[C@H]1CCC[N@@H+](C2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)C1 ZINC000023398422 136153025 /nfs/dbraw/zinc/15/30/25/136153025.db2.gz JTDAFWHZIVAMQV-INIZCTEOSA-N 1 0 353.470 2.243 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)c1 ZINC000028892070 136153470 /nfs/dbraw/zinc/15/34/70/136153470.db2.gz DQQISFJPOILYLI-UHFFFAOYSA-N 1 0 372.494 2.306 50 0 FEAARO COCc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095354939 542958116 /nfs/dbraw/zinc/95/81/16/542958116.db2.gz DCTOLYWAEGBOJA-MRXNPFEDSA-N 1 0 371.485 2.006 50 0 FEAARO CCCCSc1nc(NC[C@H]2CCCN(S(C)(=O)=O)C2)cc(N)[nH+]1 ZINC000095362334 542960249 /nfs/dbraw/zinc/96/02/49/542960249.db2.gz APFAINWCYJJZNK-GFCCVEGCSA-N 1 0 373.548 2.035 50 0 FEAARO O=C(NCc1nc(-c2cccnc2)no1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380121 542965490 /nfs/dbraw/zinc/96/54/90/542965490.db2.gz YQJUMMGTQFDHQH-OAHLLOKOSA-N 1 0 367.409 2.253 50 0 FEAARO Cn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)CC1 ZINC000095496925 542973071 /nfs/dbraw/zinc/97/30/71/542973071.db2.gz YIZTZUVJXKHZGR-QGZVFWFLSA-N 1 0 360.502 2.017 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000095478863 542973670 /nfs/dbraw/zinc/97/36/70/542973670.db2.gz TYLLTWLVJJKBNN-OAHLLOKOSA-N 1 0 356.470 2.120 50 0 FEAARO Cc1ccc2nc(C)c(C)c(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000095512618 542977945 /nfs/dbraw/zinc/97/79/45/542977945.db2.gz YNCMXFCWAFUNIE-INIZCTEOSA-N 1 0 368.481 2.087 50 0 FEAARO COC(=O)c1coc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000095940215 542983768 /nfs/dbraw/zinc/98/37/68/542983768.db2.gz NVNNSINBKMFKPP-OKILXGFUSA-N 1 0 364.442 2.028 50 0 FEAARO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]CN2CCC(=O)CC2)cc1 ZINC000096009243 542987111 /nfs/dbraw/zinc/98/71/11/542987111.db2.gz FUYYQRWGLJVNFO-INIZCTEOSA-N 1 0 361.486 2.255 50 0 FEAARO CCn1cc(NC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nn1 ZINC000095520645 542978971 /nfs/dbraw/zinc/97/89/71/542978971.db2.gz VNGBUXCXYXFXDO-UHFFFAOYSA-N 1 0 354.458 2.353 50 0 FEAARO C[C@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000109049286 543312021 /nfs/dbraw/zinc/31/20/21/543312021.db2.gz YVFIXMDIGIYEDR-LSDHHAIUSA-N 1 0 372.444 2.222 50 0 FEAARO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCN(c3cnccn3)CC2)CC1 ZINC000116675435 543612568 /nfs/dbraw/zinc/61/25/68/543612568.db2.gz XBRYIPAIEFDUJQ-UHFFFAOYSA-N 1 0 361.490 2.246 50 0 FEAARO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129427293 544111638 /nfs/dbraw/zinc/11/16/38/544111638.db2.gz LLBMWKQZZQMYSU-VKJFTORMSA-N 1 0 367.453 2.140 50 0 FEAARO O=c1c2c3c(sc2ncn1CCc1nc2ccccc2[nH]1)C[NH2+]CC3 ZINC000077556350 221643747 /nfs/dbraw/zinc/64/37/47/221643747.db2.gz LGNPHENFBCYXCC-UHFFFAOYSA-N 1 0 351.435 2.223 50 0 FEAARO O=C(c1cccc2cnccc21)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091526210 221765576 /nfs/dbraw/zinc/76/55/76/221765576.db2.gz FPUDUDVXMJJJQB-QZTJIDSGSA-N 1 0 353.466 2.401 50 0 FEAARO Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1O ZINC000092046463 221832577 /nfs/dbraw/zinc/83/25/77/221832577.db2.gz RUYIJJDNJVTFBU-UHFFFAOYSA-N 1 0 373.497 2.107 50 0 FEAARO COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)C3)c1 ZINC000096152888 222055147 /nfs/dbraw/zinc/05/51/47/222055147.db2.gz CWJRBHMGMLHLIQ-OAHLLOKOSA-N 1 0 354.454 2.312 50 0 FEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cn4cccnc4n3)CC2)o1 ZINC000097179305 222167158 /nfs/dbraw/zinc/16/71/58/222167158.db2.gz IRCBLPVCKDLRTG-UHFFFAOYSA-N 1 0 353.426 2.273 50 0 FEAARO CN(C(=O)c1ccc2c(c1)ncn2CCO)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097370579 222178260 /nfs/dbraw/zinc/17/82/60/222178260.db2.gz ANIDWMZLYYRBPV-HXUWFJFHSA-N 1 0 366.465 2.404 50 0 FEAARO O=C(NC[C@@H]1C[NH2+]CCOC1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000097527919 222187888 /nfs/dbraw/zinc/18/78/88/222187888.db2.gz KKNXUUYICHMUFN-HNNXBMFYSA-N 1 0 365.437 2.383 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1cccc(Cl)c1 ZINC000097680003 222206305 /nfs/dbraw/zinc/20/63/05/222206305.db2.gz MCTFIAWOPYRXKW-HNNXBMFYSA-N 1 0 352.866 2.404 50 0 FEAARO O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097819471 222214195 /nfs/dbraw/zinc/21/41/95/222214195.db2.gz ILNSJXAWWRZPJH-KRWDZBQOSA-N 1 0 367.453 2.385 50 0 FEAARO COc1ccc([C@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@H]32)c(OC)c1OC ZINC000100855726 222255396 /nfs/dbraw/zinc/25/53/96/222255396.db2.gz FGSKGRHSNQNBAW-LSDHHAIUSA-N 1 0 352.394 2.499 50 0 FEAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](CC(C)C)[C@H](CCO)C1)CO2 ZINC000104461887 222356657 /nfs/dbraw/zinc/35/66/57/222356657.db2.gz VLWVQOPLJCMJGZ-LJQANCHMSA-N 1 0 360.498 2.496 50 0 FEAARO CC(C)(C)Oc1cccc(CCC(=O)NC[C@H]2CN(C3CC3)CCO2)n1 ZINC000133725131 544280760 /nfs/dbraw/zinc/28/07/60/544280760.db2.gz OLCLFQQFRYVREE-KRWDZBQOSA-N 1 0 361.486 2.171 50 0 FEAARO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000155186812 545000093 /nfs/dbraw/zinc/00/00/93/545000093.db2.gz OHKGZIGURWMUNU-LBPRGKRZSA-N 1 0 355.467 2.289 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1coc(-c2ccccc2)n1 ZINC000426379615 263569273 /nfs/dbraw/zinc/56/92/73/263569273.db2.gz DQUTVNDPYMUROD-INIZCTEOSA-N 1 0 365.437 2.322 50 0 FEAARO COc1cc(-c2ccc(C(=O)N3CC[C@](O)(C[NH+](C)C)C3)cc2)ccc1O ZINC000426414723 263582904 /nfs/dbraw/zinc/58/29/04/263582904.db2.gz RHVQIDITDIXKSE-NRFANRHFSA-N 1 0 370.449 2.206 50 0 FEAARO CN(C)c1ccc(-c2ccc(C(=O)NC[C@@]3(O)CCC[NH2+]C3)cc2)cc1 ZINC000426478034 263598872 /nfs/dbraw/zinc/59/88/72/263598872.db2.gz PGUSOROEOMAGKN-OAQYLSRUSA-N 1 0 353.466 2.264 50 0 FEAARO COCc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)n2ncnc2n1 ZINC000129689213 326544883 /nfs/dbraw/zinc/54/48/83/326544883.db2.gz MNWYPRZISGJJRR-UHFFFAOYSA-N 1 0 358.490 2.363 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)CCCc3cn[nH]c3)cc2C1 ZINC000082097781 519723321 /nfs/dbraw/zinc/72/33/21/519723321.db2.gz APCYNCWWPSEXNI-UHFFFAOYSA-N 1 0 358.490 2.107 50 0 FEAARO CCOc1ccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc1CO ZINC000020992223 520973518 /nfs/dbraw/zinc/97/35/18/520973518.db2.gz FGBSCCYAXHRSMO-FQEVSTJZSA-N 1 0 364.530 2.492 50 0 FEAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCCn2cnnn2)cc1 ZINC000082157217 521910353 /nfs/dbraw/zinc/91/03/53/521910353.db2.gz VMPWMDFFTLIJCA-SFHVURJKSA-N 1 0 356.474 2.269 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000159094054 522043560 /nfs/dbraw/zinc/04/35/60/522043560.db2.gz YQTYDKTZTYWJSC-NSHDSACASA-N 1 0 364.389 2.052 50 0 FEAARO CN(Cc1ccccc1C(F)(F)F)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000150897939 523359970 /nfs/dbraw/zinc/35/99/70/523359970.db2.gz OKZYGIWXWUREGS-UHFFFAOYSA-N 1 0 367.375 2.494 50 0 FEAARO CC[C@@]1(CO)CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000091621386 523736707 /nfs/dbraw/zinc/73/67/07/523736707.db2.gz KSRUJQNORHDQQE-OAQYLSRUSA-N 1 0 359.514 2.059 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)cc1 ZINC000091487080 524027885 /nfs/dbraw/zinc/02/78/85/524027885.db2.gz UCZIEKOBHLRSRD-QGZVFWFLSA-N 1 0 366.469 2.448 50 0 FEAARO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(C)C)C2=O ZINC000091526770 524463353 /nfs/dbraw/zinc/46/33/53/524463353.db2.gz DQBCIFHKBOMNBA-OAQYLSRUSA-N 1 0 373.497 2.034 50 0 FEAARO Cc1cnn(CC(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)c1 ZINC000091656514 526258129 /nfs/dbraw/zinc/25/81/29/526258129.db2.gz NAUCKZZEPSFTEN-UHFFFAOYSA-N 1 0 370.501 2.243 50 0 FEAARO O=C(c1cccc(OC(F)F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091486091 526773489 /nfs/dbraw/zinc/77/34/89/526773489.db2.gz ZRMGRYOMIKECMA-HZPDHXFCSA-N 1 0 368.424 2.454 50 0 FEAARO OCCCc1cn(CC2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nn1 ZINC000020918445 527548681 /nfs/dbraw/zinc/54/86/81/527548681.db2.gz MAEJWRYEIUQWCV-OAQYLSRUSA-N 1 0 354.498 2.473 50 0 FEAARO CC(C)n1nc(C[NH2+]CCCSc2nnnn2C)c(-c2ccccc2)n1 ZINC000261491742 528649134 /nfs/dbraw/zinc/64/91/34/528649134.db2.gz GTEGDUAJSJIDLG-UHFFFAOYSA-N 1 0 372.502 2.322 50 0 FEAARO C[NH+](C)CCNC(=O)c1cccc(CN2CCN(c3ccccc3)CC2)c1 ZINC000034684725 535888898 /nfs/dbraw/zinc/88/88/98/535888898.db2.gz ATKCCPJHHJSWBW-UHFFFAOYSA-N 1 0 366.509 2.300 50 0 FEAARO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000170599320 546163340 /nfs/dbraw/zinc/16/33/40/546163340.db2.gz QGAMAASPSHXDKU-MAUKXSAKSA-N 1 0 369.465 2.425 50 0 FEAARO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)N1CCc2ccccc21 ZINC000195003100 548562509 /nfs/dbraw/zinc/56/25/09/548562509.db2.gz GEQXIANGVSKITO-MRXNPFEDSA-N 1 0 365.481 2.223 50 0 FEAARO COc1cc2c(cc1CN1CCC([NH+]3CCSCC3)CC1)OCO2 ZINC000215059866 548668734 /nfs/dbraw/zinc/66/87/34/548668734.db2.gz JJFPGWWSLYQPJT-UHFFFAOYSA-N 1 0 350.484 2.437 50 0 FEAARO CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000215929590 548674998 /nfs/dbraw/zinc/67/49/98/548674998.db2.gz VTYALEKZFXHSKB-OAHLLOKOSA-N 1 0 361.829 2.037 50 0 FEAARO CCc1c(C)scc1C(=O)N1CCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000220369209 548699819 /nfs/dbraw/zinc/69/98/19/548699819.db2.gz APSKHWBTYMNJCV-QGZVFWFLSA-N 1 0 362.499 2.066 50 0 FEAARO CC(C)(C)c1cc(C(=O)N2CCC(C[NH+]3CCCCC3)CC2)[nH]c(=O)n1 ZINC000220299400 548700043 /nfs/dbraw/zinc/70/00/43/548700043.db2.gz ZWPQHIHIIWDZQO-UHFFFAOYSA-N 1 0 360.502 2.406 50 0 FEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)C1=Cc2ccccc2OC=C1 ZINC000222998434 548714467 /nfs/dbraw/zinc/71/44/67/548714467.db2.gz NHIGHXDXTOBINY-GSEOLPGOSA-N 1 0 352.434 2.344 50 0 FEAARO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000222944212 548714536 /nfs/dbraw/zinc/71/45/36/548714536.db2.gz JASHNACBCKSJBS-HXUWFJFHSA-N 1 0 365.477 2.338 50 0 FEAARO COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCO2)cc1OC ZINC000237270900 548814027 /nfs/dbraw/zinc/81/40/27/548814027.db2.gz PQVODIMJNJMPIT-QFBILLFUSA-N 1 0 362.470 2.006 50 0 FEAARO C[C@@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@@H]1c1ccccc1 ZINC000237376320 548822191 /nfs/dbraw/zinc/82/21/91/548822191.db2.gz DTNVPEAYZBLOJX-QAPCUYQASA-N 1 0 353.470 2.468 50 0 FEAARO Cc1nc(CN2CCC(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)cs1 ZINC000237613511 548838692 /nfs/dbraw/zinc/83/86/92/548838692.db2.gz KMNUBIXIZGGNLP-GUYCJALGSA-N 1 0 350.532 2.249 50 0 FEAARO C[C@H]1CCCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)[C@@H]1C[NH3+] ZINC000237664918 548843815 /nfs/dbraw/zinc/84/38/15/548843815.db2.gz LCWZQKHRUZWPBR-SWLSCSKDSA-N 1 0 364.467 2.177 50 0 FEAARO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000242048136 548885696 /nfs/dbraw/zinc/88/56/96/548885696.db2.gz VTDIWKBODCSWPB-DBVUQKKJSA-N 1 0 374.529 2.445 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244659724 548891970 /nfs/dbraw/zinc/89/19/70/548891970.db2.gz HHUVQUFSTFRROG-KRWDZBQOSA-N 1 0 351.410 2.417 50 0 FEAARO COCCn1cncc1C[NH+]1CCC(c2nnc3n2CCCCC3)CC1 ZINC000244866452 548897092 /nfs/dbraw/zinc/89/70/92/548897092.db2.gz VWMDSJHYUJIBIH-UHFFFAOYSA-N 1 0 358.490 2.227 50 0 FEAARO O=C(NCc1ccc(Cl)cc1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244884373 548897749 /nfs/dbraw/zinc/89/77/49/548897749.db2.gz YLHWODNAZAARMM-XIRDDKMYSA-N 1 0 351.878 2.278 50 0 FEAARO O=C(NCc1ccc(Cl)cc1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000244884372 548898338 /nfs/dbraw/zinc/89/83/38/548898338.db2.gz YLHWODNAZAARMM-DJIMGWMZSA-N 1 0 351.878 2.278 50 0 FEAARO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)C1 ZINC000246289056 549096956 /nfs/dbraw/zinc/09/69/56/549096956.db2.gz CFWUIOFAGVXHEG-NSISKUIASA-N 1 0 359.514 2.029 50 0 FEAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000252500731 549670142 /nfs/dbraw/zinc/67/01/42/549670142.db2.gz TUQRVESEWDFCHF-OAHLLOKOSA-N 1 0 358.479 2.198 50 0 FEAARO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000252550909 549674089 /nfs/dbraw/zinc/67/40/89/549674089.db2.gz TULBOWGKUXOJAG-CQSZACIVSA-N 1 0 364.456 2.385 50 0 FEAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@H](COc3ccccc3F)C2)c(=O)[nH]1 ZINC000253536564 549691397 /nfs/dbraw/zinc/69/13/97/549691397.db2.gz ICRJQTZYVCWFSC-HNNXBMFYSA-N 1 0 361.417 2.187 50 0 FEAARO O=C(CN1Cc2ccccc2C1=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000262105195 549789319 /nfs/dbraw/zinc/78/93/19/549789319.db2.gz VGWQNWUELDUFBK-SFHVURJKSA-N 1 0 369.852 2.469 50 0 FEAARO COc1cccc([C@H]2C[C@@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 ZINC000285208263 551720543 /nfs/dbraw/zinc/72/05/43/551720543.db2.gz WYGYDYRQXYKZLX-NVXWUHKLSA-N 1 0 368.424 2.307 50 0 FEAARO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000286527670 551896372 /nfs/dbraw/zinc/89/63/72/551896372.db2.gz VSXOAXWDXMDLGN-GJZGRUSLSA-N 1 0 355.438 2.266 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000299754358 553610325 /nfs/dbraw/zinc/61/03/25/553610325.db2.gz CQSDLWHQRFEFJJ-LNLFQRSKSA-N 1 0 373.497 2.351 50 0 FEAARO Cc1[nH+]c(CN2CCn3nc(CNc4cnccn4)cc3C2)c2ccccn12 ZINC000299799298 553616333 /nfs/dbraw/zinc/61/63/33/553616333.db2.gz QNJMDDWXLOEVIB-UHFFFAOYSA-N 1 0 374.452 2.257 50 0 FEAARO NC(=O)c1cncc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000301726951 553674672 /nfs/dbraw/zinc/67/46/72/553674672.db2.gz VNQMISFMNIGETH-FUHWJXTLSA-N 1 0 351.454 2.066 50 0 FEAARO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(-c2ccccc2)c1N ZINC000375093191 557977158 /nfs/dbraw/zinc/97/71/58/557977158.db2.gz INVKIHVRQLNKTK-HNNXBMFYSA-N 1 0 368.481 2.248 50 0 FEAARO O=C(CCCn1cnnn1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000426544888 559737446 /nfs/dbraw/zinc/73/74/46/559737446.db2.gz CTGBCZRVQVJEFG-FQEVSTJZSA-N 1 0 374.533 2.348 50 0 FEAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCC1(O)CCC(F)(F)CC1 ZINC000426593549 559738466 /nfs/dbraw/zinc/73/84/66/559738466.db2.gz DCXRUUVLXQXWPX-UHFFFAOYSA-N 1 0 362.804 2.348 50 0 FEAARO COc1ccc2c(c1)CCN(C(=O)NCCCCC[NH+]1CCOCC1)C2 ZINC000426652856 559739520 /nfs/dbraw/zinc/73/95/20/559739520.db2.gz HOQWSZHCAPUGRJ-UHFFFAOYSA-N 1 0 361.486 2.265 50 0 FEAARO Cc1ccc([C@H](CNC(=O)N2CCN(C)C(=O)C2)[NH+]2CCC(C)CC2)cc1 ZINC000534582856 562537468 /nfs/dbraw/zinc/53/74/68/562537468.db2.gz SNHPXLQKCNBQHO-IBGZPJMESA-N 1 0 372.513 2.252 50 0 FEAARO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000222088834 568495761 /nfs/dbraw/zinc/49/57/61/568495761.db2.gz OVGSVJRJRHSVLN-KGLIPLIRSA-N 1 0 364.389 2.490 50 0 FEAARO Cc1cc(C)n2ncc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)c2n1 ZINC000045124128 570905777 /nfs/dbraw/zinc/90/57/77/570905777.db2.gz VGAGXAANKRFWGE-QGZVFWFLSA-N 1 0 351.454 2.249 50 0 FEAARO Cc1csc2nc(C[N@H+]3CCC[C@H](C(=O)NCC(C)C)C3)cc(=O)n12 ZINC000048287258 570940747 /nfs/dbraw/zinc/94/07/47/570940747.db2.gz XHBSSPZTFFEPLY-AWEZNQCLSA-N 1 0 362.499 2.049 50 0 FEAARO CC1(C)C(c2cc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)n[nH]2)C1(C)C ZINC000646533593 571106292 /nfs/dbraw/zinc/10/62/92/571106292.db2.gz UFPRVZULCQWLTM-LQGCGHSZSA-N 1 0 360.502 3.030 50 0 FEAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000183631093 571170709 /nfs/dbraw/zinc/17/07/09/571170709.db2.gz DHLCWBZSJYINTH-AWEZNQCLSA-N 1 0 364.453 2.319 50 0 FEAARO Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000333803397 571203844 /nfs/dbraw/zinc/20/38/44/571203844.db2.gz IEQOGYRGJTXPKB-KDOFPFPSSA-N 1 0 357.433 2.319 50 0 FEAARO Cc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)c(OCCC[NH3+])c1 ZINC000426412750 571221744 /nfs/dbraw/zinc/22/17/44/571221744.db2.gz QPHGBTHAQWEAFE-UHFFFAOYSA-N 1 0 359.392 2.043 50 0 FEAARO CN1C[C@@]2(CCCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)OC1=O ZINC000426421351 571223127 /nfs/dbraw/zinc/22/31/27/571223127.db2.gz WSLXBXXOIGKUMP-FQEVSTJZSA-N 1 0 374.485 2.265 50 0 FEAARO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000170089174 571262073 /nfs/dbraw/zinc/26/20/73/571262073.db2.gz OOYIYPOAXMTFMB-HOTGVXAUSA-N 1 0 356.532 2.113 50 0 FEAARO O=C(N[C@H]1COc2ccccc2C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000584884931 571313603 /nfs/dbraw/zinc/31/36/03/571313603.db2.gz QGAPDXMGZAVULN-MRXNPFEDSA-N 1 0 361.511 2.213 50 0 FEAARO C[C@@H](CNC(=O)N(C)Cc1nc(-c2ccncc2)no1)[NH+]1CCCCC1 ZINC000584891914 571314717 /nfs/dbraw/zinc/31/47/17/571314717.db2.gz DFEYJTUYWPLKCJ-AWEZNQCLSA-N 1 0 358.446 2.147 50 0 FEAARO O=C([C@@H]1CCCO1)N1CCC([NH2+]Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000584900305 571316091 /nfs/dbraw/zinc/31/60/91/571316091.db2.gz FMYKTCFMGZXFDG-INIZCTEOSA-N 1 0 374.416 2.135 50 0 FEAARO O=S(=O)(NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCCC1 ZINC000670446633 571350894 /nfs/dbraw/zinc/35/08/94/571350894.db2.gz HRGLOOGYGCNVOU-GOSISDBHSA-N 1 0 351.516 2.361 50 0 FEAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670464134 571357783 /nfs/dbraw/zinc/35/77/83/571357783.db2.gz OKTKFVSLNUSCRZ-SFHVURJKSA-N 1 0 351.535 2.260 50 0 FEAARO CSCc1ccc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)o1 ZINC000015073153 670010233 /nfs/dbraw/zinc/01/02/33/670010233.db2.gz WFEODHPFEPWKRX-AWEZNQCLSA-N 1 0 351.516 2.431 50 0 FEAARO CN(C)c1ncc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)s1 ZINC000020168047 670030081 /nfs/dbraw/zinc/03/00/81/670030081.db2.gz KFAOGTFWVPPMGR-INIZCTEOSA-N 1 0 352.548 2.410 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3c(F)cccc3Cl)C[C@H]2CCO)CC1 ZINC000104411397 670793231 /nfs/dbraw/zinc/79/32/31/670793231.db2.gz UYTDCWKNNKZCGN-MRXNPFEDSA-N 1 0 369.912 2.442 50 0 FEAARO Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)C[C@@H]2CCCO2)CC1 ZINC000170664507 672323619 /nfs/dbraw/zinc/32/36/19/672323619.db2.gz PARHRGLFKIYJGX-SFHVURJKSA-N 1 0 352.500 2.058 50 0 FEAARO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C)C2)nnn1-c1ccc(Cl)cc1F ZINC000173177206 672348600 /nfs/dbraw/zinc/34/86/00/672348600.db2.gz DTKFDDXAMTWLRZ-LLVKDONJSA-N 1 0 351.813 2.050 50 0 FEAARO C[NH+](C)C[C@@]1(CO)CCCN(S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000952966373 681792810 /nfs/dbraw/zinc/79/28/10/681792810.db2.gz SVBDSSMNLVZAKM-KRWDZBQOSA-N 1 0 368.524 2.226 50 0 FEAARO C[C@@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1ccccc1C(F)(F)F ZINC000952976494 681794451 /nfs/dbraw/zinc/79/44/51/681794451.db2.gz RWFOJVZJIYZCDJ-NEPJUHHUSA-N 1 0 357.376 2.080 50 0 FEAARO CC[N@@H+]1CCC[C@H](CN(C)C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000952982013 681795177 /nfs/dbraw/zinc/79/51/77/681795177.db2.gz VURFWQDPEWZJNW-QGZVFWFLSA-N 1 0 365.543 2.032 50 0 FEAARO COc1ccc(-c2ncc(CN3CCOC[C@H](C[NH+](C)C)C3)cn2)cc1 ZINC000215079899 222640254 /nfs/dbraw/zinc/64/02/54/222640254.db2.gz LMIHQJFJTNSRMA-QGZVFWFLSA-N 1 0 356.470 2.162 50 0 FEAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccc(F)c3)C2=O)cc1 ZINC000002812419 539355013 /nfs/dbraw/zinc/35/50/13/539355013.db2.gz PPGIIFIICKVMNC-SFHVURJKSA-N 1 0 369.396 2.248 50 0 FEAARO Cc1c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000003277472 539361863 /nfs/dbraw/zinc/36/18/63/539361863.db2.gz UFETUQMWVOQZLU-GJZGRUSLSA-N 1 0 356.470 2.401 50 0 FEAARO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000006543716 539429984 /nfs/dbraw/zinc/42/99/84/539429984.db2.gz JLPBOZPGSAEWNL-ICSRJNTNSA-N 1 0 355.434 2.426 50 0 FEAARO Cc1cc(OCC(=O)NCCC[NH+](C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000006659056 539432542 /nfs/dbraw/zinc/43/25/42/539432542.db2.gz ZSUXOZXKLIFEQA-UHFFFAOYSA-N 1 0 358.438 2.037 50 0 FEAARO CC(=O)c1ccc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000006810102 539438467 /nfs/dbraw/zinc/43/84/67/539438467.db2.gz PRXAHDUITMKWHE-UHFFFAOYSA-N 1 0 372.469 2.227 50 0 FEAARO COc1cc(C[NH2+]C[C@H]2CN(C)CCO2)ccc1OCc1ccncc1 ZINC000105471332 210137856 /nfs/dbraw/zinc/13/78/56/210137856.db2.gz AIBRWMIDHXEICP-SFHVURJKSA-N 1 0 357.454 2.089 50 0 FEAARO O=C(Cn1c(=O)oc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008341301 539484015 /nfs/dbraw/zinc/48/40/15/539484015.db2.gz CQFVZULQNHSZGR-UHFFFAOYSA-N 1 0 365.433 2.375 50 0 FEAARO CC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000011661450 210100851 /nfs/dbraw/zinc/10/08/51/210100851.db2.gz PWHHBDNGQHXZAN-OAHLLOKOSA-N 1 0 371.403 2.263 50 0 FEAARO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000011821699 539535852 /nfs/dbraw/zinc/53/58/52/539535852.db2.gz LJDHGCXWHSJUPQ-LJQANCHMSA-N 1 0 356.514 2.284 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@H](NC(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC000011873561 539537794 /nfs/dbraw/zinc/53/77/94/539537794.db2.gz OIRRPVXWZCQQAB-INIZCTEOSA-N 1 0 351.441 2.182 50 0 FEAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000011873494 539536987 /nfs/dbraw/zinc/53/69/87/539536987.db2.gz YDHCCZDWWPZZAS-AWEZNQCLSA-N 1 0 372.498 2.208 50 0 FEAARO COc1ccc(CCN2C[C@@H]([NH2+]C3CSCCSC3)CC2=O)cc1 ZINC000011843904 539537114 /nfs/dbraw/zinc/53/71/14/539537114.db2.gz ZTNZNTFBOOTXSP-HNNXBMFYSA-N 1 0 366.552 2.277 50 0 FEAARO COc1ccc(-c2noc(CN(C)CCCC[NH+]3CCOCC3)n2)cc1 ZINC000012073131 539541834 /nfs/dbraw/zinc/54/18/34/539541834.db2.gz BFJHOMNYQIJFLP-UHFFFAOYSA-N 1 0 360.458 2.289 50 0 FEAARO Cc1cnccc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000012210580 539549511 /nfs/dbraw/zinc/54/95/11/539549511.db2.gz BJMTWIVLZQVWQK-IBGZPJMESA-N 1 0 372.513 2.119 50 0 FEAARO CCN(Cc1nccn1C)C(=O)c1ccc(OC[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000012303043 539552702 /nfs/dbraw/zinc/55/27/02/539552702.db2.gz ORKFAPTZOVDBOU-FQEVSTJZSA-N 1 0 371.485 2.246 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2ccc(Cl)s2)CC1 ZINC000012431461 539559189 /nfs/dbraw/zinc/55/91/89/539559189.db2.gz NJOLNJFUPUYGTF-UHFFFAOYSA-N 1 0 350.875 2.478 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CNC(=O)c2ccc(OCCC[NH3+])cc2)n1 ZINC000299770504 210017862 /nfs/dbraw/zinc/01/78/62/210017862.db2.gz UUWKATIWSSIXSF-UHFFFAOYSA-N 1 0 368.359 2.461 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cnc(N)nc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299769306 210016790 /nfs/dbraw/zinc/01/67/90/210016790.db2.gz LVFCLZAQNSIJNB-TXPKVOOTSA-N 1 0 355.442 2.045 50 0 FEAARO O=C(c1ccc(-n2ccnc2)cc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299755681 210007942 /nfs/dbraw/zinc/00/79/42/210007942.db2.gz CTLXVYWBXVCYFN-IBGZPJMESA-N 1 0 354.454 2.199 50 0 FEAARO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC[C@]2(O)CCC[NH2+]C2)c1 ZINC000299759401 210011576 /nfs/dbraw/zinc/01/15/76/210011576.db2.gz RCKGZUMPFQSRTF-KRWDZBQOSA-N 1 0 369.849 2.141 50 0 FEAARO O=C(Nc1ccc2n[nH]nc2c1)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299760021 210010586 /nfs/dbraw/zinc/01/05/86/210010586.db2.gz TXFWAWAZVZTWKF-HNNXBMFYSA-N 1 0 366.425 2.450 50 0 FEAARO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)cc(N(C)C)[nH+]1 ZINC000021795005 539687414 /nfs/dbraw/zinc/68/74/14/539687414.db2.gz OBTLDFBKZVVIDT-UHFFFAOYSA-N 1 0 358.421 2.344 50 0 FEAARO O=C(NCc1ccc(F)cc1)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127469 539706998 /nfs/dbraw/zinc/70/69/98/539706998.db2.gz AVCCLRHDCXETLJ-UHFFFAOYSA-N 1 0 373.428 2.063 50 0 FEAARO COc1cc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)ccc1OCC(N)=O ZINC000024993261 539745877 /nfs/dbraw/zinc/74/58/77/539745877.db2.gz VEBIJYKMOGRZER-MRXNPFEDSA-N 1 0 373.453 2.079 50 0 FEAARO Cc1cc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)ccc1Br ZINC000000895029 219337724 /nfs/dbraw/zinc/33/77/24/219337724.db2.gz APMZAKSQAWPHHT-UHFFFAOYSA-N 1 0 368.275 2.283 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)c1nc2nccc(C)n2n1)c1ccccc1 ZINC000027087539 539801107 /nfs/dbraw/zinc/80/11/07/539801107.db2.gz FCOATCGGUPCLBR-MRXNPFEDSA-N 1 0 352.442 2.246 50 0 FEAARO Cc1nc2ccccc2c(=O)n1CCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000032931443 539960486 /nfs/dbraw/zinc/96/04/86/539960486.db2.gz KEOCWNRNFOJZFB-OAHLLOKOSA-N 1 0 356.470 2.086 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2cccc(C)c2NC1=O ZINC000033542322 539974600 /nfs/dbraw/zinc/97/46/00/539974600.db2.gz DEWDBMMNZPWYTG-OSAWLIQMSA-N 1 0 369.465 2.172 50 0 FEAARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1cccnc1 ZINC000033581955 539974827 /nfs/dbraw/zinc/97/48/27/539974827.db2.gz ZJCDQMPFJDDDPF-ZEVQVBBLSA-N 1 0 367.405 2.214 50 0 FEAARO CCCCN(C)C(=O)c1cc(NC(=O)CCC)cnc1N1CC[NH2+]CC1 ZINC000035514085 539983340 /nfs/dbraw/zinc/98/33/40/539983340.db2.gz UJUWQZLSQDOSBW-UHFFFAOYSA-N 1 0 361.490 2.102 50 0 FEAARO O=C(COc1ccc(Cl)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103443 539987096 /nfs/dbraw/zinc/98/70/96/539987096.db2.gz PJXSQCSJANQQJD-UHFFFAOYSA-N 1 0 352.862 2.290 50 0 FEAARO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000040050467 540004912 /nfs/dbraw/zinc/00/49/12/540004912.db2.gz YHKBRFVHBFOGGC-AWEZNQCLSA-N 1 0 359.470 2.414 50 0 FEAARO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000040159683 540008678 /nfs/dbraw/zinc/00/86/78/540008678.db2.gz DBKVBZKSBNOELS-CYBMUJFWSA-N 1 0 351.878 2.397 50 0 FEAARO CCO[C@@H]1C[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1(CC)CC ZINC000236894793 222903963 /nfs/dbraw/zinc/90/39/63/222903963.db2.gz CLWFOTXZURUZKV-IAGOWNOFSA-N 1 0 363.506 2.258 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)c2ccc(Br)cc2F)CC1 ZINC000041361604 540018032 /nfs/dbraw/zinc/01/80/32/540018032.db2.gz MPBFYYNLZHHGGL-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000237253815 222907444 /nfs/dbraw/zinc/90/74/44/222907444.db2.gz BUYNDTQKHBGHNT-OAHLLOKOSA-N 1 0 368.842 2.105 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(F)cc2Br)CC1 ZINC000041442800 540022094 /nfs/dbraw/zinc/02/20/94/540022094.db2.gz CKIGPBZAEODKKM-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000042392738 540062921 /nfs/dbraw/zinc/06/29/21/540062921.db2.gz UJDOSTDOCAAGFC-QAPCUYQASA-N 1 0 350.434 2.306 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000045744825 540225167 /nfs/dbraw/zinc/22/51/67/540225167.db2.gz SCUAKLXHOGXLAZ-CQSZACIVSA-N 1 0 353.488 2.045 50 0 FEAARO CCc1c(C)nn(CCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(COC)n2)c1C ZINC000253378368 222982253 /nfs/dbraw/zinc/98/22/53/222982253.db2.gz CJMWGMNQCKGVFI-SHTZXODSSA-N 1 0 358.490 2.316 50 0 FEAARO Cc1ccc([C@@H](C[NH2+]Cc2cnc(N(C)C)s2)N2CCOCC2)o1 ZINC000048368710 540358976 /nfs/dbraw/zinc/35/89/76/540358976.db2.gz DYZDYBRQAFFOQR-OAHLLOKOSA-N 1 0 350.488 2.274 50 0 FEAARO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000050994794 540418238 /nfs/dbraw/zinc/41/82/38/540418238.db2.gz WKSDGLVWKVCYPG-QGZVFWFLSA-N 1 0 357.498 2.420 50 0 FEAARO O=C(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000052929535 540500462 /nfs/dbraw/zinc/50/04/62/540500462.db2.gz FJQHNQMZQRWMAE-AZUAARDMSA-N 1 0 369.509 2.418 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COc2ccccc2O1 ZINC000053990319 540563189 /nfs/dbraw/zinc/56/31/89/540563189.db2.gz CAUPWYPXIKKOFN-IBGZPJMESA-N 1 0 353.422 2.002 50 0 FEAARO CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)CCCn1cnc2ccccc2c1=O ZINC000055090002 540627145 /nfs/dbraw/zinc/62/71/45/540627145.db2.gz BXJSUWKVWLYPQD-KRWDZBQOSA-N 1 0 370.497 2.367 50 0 FEAARO O=C(NCc1n[nH]c(=O)c2ccccc12)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055153103 540631265 /nfs/dbraw/zinc/63/12/65/540631265.db2.gz YGPFMSHSWTZJOF-CQSZACIVSA-N 1 0 366.421 2.045 50 0 FEAARO CCc1oc(C(=O)NCc2cncn2CCOC)cc1C[NH+](CC)CC ZINC000055211666 540635652 /nfs/dbraw/zinc/63/56/52/540635652.db2.gz XEGMBPIAZQCDIK-UHFFFAOYSA-N 1 0 362.474 2.457 50 0 FEAARO Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)cc2)cc1 ZINC000055042194 540623287 /nfs/dbraw/zinc/62/32/87/540623287.db2.gz GHJLQXVDOZOFHI-SFHVURJKSA-N 1 0 363.421 2.479 50 0 FEAARO C[C@H](CNC(=O)CCc1nc(-c2cccnc2)no1)[NH+]1CCC(C)CC1 ZINC000058183582 540832097 /nfs/dbraw/zinc/83/20/97/540832097.db2.gz AWCQGHRGYPVJND-OAHLLOKOSA-N 1 0 357.458 2.301 50 0 FEAARO Cc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)sc2nc(C)nc(C)c12 ZINC000064333951 541201555 /nfs/dbraw/zinc/20/15/55/541201555.db2.gz HKSNZDREMIOSBZ-KBPBESRZSA-N 1 0 360.483 2.210 50 0 FEAARO CCn1cc(-c2ccc(OC)cc2)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000065170445 541227954 /nfs/dbraw/zinc/22/79/54/541227954.db2.gz NNDNRGREQHJTAT-UHFFFAOYSA-N 1 0 370.497 2.161 50 0 FEAARO O[C@H](COc1ccc(Br)cc1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065622654 541249364 /nfs/dbraw/zinc/24/93/64/541249364.db2.gz MSTGNFIZWBWADL-CVEARBPZSA-N 1 0 369.303 2.359 50 0 FEAARO O=C(NCc1cccc2cccnc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000068885678 541637189 /nfs/dbraw/zinc/63/71/89/541637189.db2.gz AXQAWJBGGPIYCT-UHFFFAOYSA-N 1 0 368.481 2.489 50 0 FEAARO CCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC2CC2)C3)c1C ZINC000069920291 541723617 /nfs/dbraw/zinc/72/36/17/541723617.db2.gz HSBGNPHKHQEOLQ-UHFFFAOYSA-N 1 0 353.470 2.484 50 0 FEAARO Nc1nccc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072137131 541785839 /nfs/dbraw/zinc/78/58/39/541785839.db2.gz KKEYTEAVQGHZQA-MORSLUCNSA-N 1 0 357.408 2.404 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000072137390 541786395 /nfs/dbraw/zinc/78/63/95/541786395.db2.gz WMTZABOTLNTRLM-MRXNPFEDSA-N 1 0 361.269 2.287 50 0 FEAARO COc1ccc(F)c(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)c1F ZINC000072143432 541787387 /nfs/dbraw/zinc/78/73/87/541787387.db2.gz WILGPGUSPNSCAX-UHFFFAOYSA-N 1 0 354.397 2.035 50 0 FEAARO CNC(=O)CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072144802 541788264 /nfs/dbraw/zinc/78/82/64/541788264.db2.gz LYDFSKVCZOCCMK-SFHVURJKSA-N 1 0 363.477 2.411 50 0 FEAARO Cc1nnnn1CCC[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072158890 541791415 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C[NH+]1CCC(O)(CNC(=O)c2cccnc2Sc2ccccc2)CC1 ZINC000072306592 541798249 /nfs/dbraw/zinc/79/82/49/541798249.db2.gz BGOHCTFAXWDNKN-UHFFFAOYSA-N 1 0 357.479 2.419 50 0 FEAARO O=C(NCc1ccccc1CN1CCOCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000072310040 541799103 /nfs/dbraw/zinc/79/91/03/541799103.db2.gz ZWAXQRIBHKMJIP-VQTJNVASSA-N 1 0 357.498 2.009 50 0 FEAARO CSCCC[N@@H+]1CCc2nc(C)nc(NC[C@H]3CCOC3)c2CC1 ZINC000072419986 541807878 /nfs/dbraw/zinc/80/78/78/541807878.db2.gz HWBQVBQZNNWZGH-OAHLLOKOSA-N 1 0 350.532 2.387 50 0 FEAARO O=C(c1ccc2c(c1)CN(CC[NH+]1CCCCC1)C2=O)N1CCSCC1 ZINC000072421938 541808834 /nfs/dbraw/zinc/80/88/34/541808834.db2.gz QDPONILGUSAULM-UHFFFAOYSA-N 1 0 373.522 2.317 50 0 FEAARO O=C(N[C@@H]1CCCOC1)c1ccc2c(c1)CN(CC[NH+]1CCCCC1)C2=O ZINC000072425033 541810810 /nfs/dbraw/zinc/81/08/10/541810810.db2.gz VXYVUKFEZMISCL-GOSISDBHSA-N 1 0 371.481 2.037 50 0 FEAARO C[C@H](O)CNc1nc(CC2CC2)nc2c1CC[N@H+](Cc1ccco1)CC2 ZINC000072428070 541812060 /nfs/dbraw/zinc/81/20/60/541812060.db2.gz 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ZINC000072477583 541820300 /nfs/dbraw/zinc/82/03/00/541820300.db2.gz ZCEVKIIOTNBBQE-KRWDZBQOSA-N 1 0 362.441 2.282 50 0 FEAARO Cc1nc(CCNc2nc(-c3ccco3)nc3c2CC[N@H+](C)CC3)no1 ZINC000072478146 541820625 /nfs/dbraw/zinc/82/06/25/541820625.db2.gz BKBKZDPAHOAVGE-UHFFFAOYSA-N 1 0 354.414 2.113 50 0 FEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)cc(Br)c1 ZINC000058393313 212007387 /nfs/dbraw/zinc/00/73/87/212007387.db2.gz FBMPDFSKWVUAEU-KGLIPLIRSA-N 1 0 357.223 2.181 50 0 FEAARO CCn1nc(C(C)C)cc1C(=O)N1CCC(n2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000048445057 211877855 /nfs/dbraw/zinc/87/78/55/211877855.db2.gz MDLWHCKAAHCVIB-UHFFFAOYSA-N 1 0 373.505 2.289 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCn2cncn2)C1 ZINC000048373992 211875596 /nfs/dbraw/zinc/87/55/96/211875596.db2.gz XZWNBKXQKRZEMN-IAGOWNOFSA-N 1 0 355.486 2.463 50 0 FEAARO O=C(c1ccc2c(c1)OCCO2)N1CCN(CCc2ccccc2)CC1 ZINC000013326960 220063825 /nfs/dbraw/zinc/06/38/25/220063825.db2.gz GBWJJVQTDIIRGR-UHFFFAOYSA-N 1 0 352.434 2.458 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000048269607 211865369 /nfs/dbraw/zinc/86/53/69/211865369.db2.gz IMXJAYSVWZVFDI-IAGOWNOFSA-N 1 0 372.513 2.214 50 0 FEAARO O=C(CN1CC[NH+](C[C@@H]2CCOC2)CC1)Nc1ccccc1C(F)(F)F ZINC000047717446 211855311 /nfs/dbraw/zinc/85/53/11/211855311.db2.gz QUAFUOHKQNALAP-AWEZNQCLSA-N 1 0 371.403 2.298 50 0 FEAARO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739285 211809161 /nfs/dbraw/zinc/80/91/61/211809161.db2.gz MWAVDKPOSHMWLC-CPUCHLNUSA-N 1 0 352.862 2.397 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000015360900 220152919 /nfs/dbraw/zinc/15/29/19/220152919.db2.gz ZZWVFWGDKIKCQZ-UHFFFAOYSA-N 1 0 362.451 2.013 50 0 FEAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCC(=O)NCc1ccccc1 ZINC000019364417 220253322 /nfs/dbraw/zinc/25/33/22/220253322.db2.gz MXYPAGUASQVTSW-UHFFFAOYSA-N 1 0 371.481 2.042 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CN1c2ccccc2OCCC1=O)c1ccccc1 ZINC000032747845 211558754 /nfs/dbraw/zinc/55/87/54/211558754.db2.gz LRQQWSWNSHUQGK-SFHVURJKSA-N 1 0 367.449 2.221 50 0 FEAARO [NH3+]Cc1cn(C2CCN(C(=O)C3(Nc4ccccc4)CCCC3)CC2)nn1 ZINC000023429832 211390413 /nfs/dbraw/zinc/39/04/13/211390413.db2.gz LNVKPWNWERABQV-UHFFFAOYSA-N 1 0 368.485 2.325 50 0 FEAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCO[C@@H](Cc2ccc(F)cc2)C1 ZINC000023366872 211386998 /nfs/dbraw/zinc/38/69/98/211386998.db2.gz HGEXWLHZLSFGKZ-IBGZPJMESA-N 1 0 350.478 2.427 50 0 FEAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)cn1 ZINC000019607649 211241280 /nfs/dbraw/zinc/24/12/80/211241280.db2.gz MHSIVGJYRPMRKH-SFHVURJKSA-N 1 0 356.470 2.178 50 0 FEAARO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000017317419 211184675 /nfs/dbraw/zinc/18/46/75/211184675.db2.gz OWDCTUSWLKNNLA-UHFFFAOYSA-N 1 0 366.508 2.367 50 0 FEAARO COCC1CC[NH+](C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000015066983 211116418 /nfs/dbraw/zinc/11/64/18/211116418.db2.gz CFQDGPSCCMSEEC-HXUWFJFHSA-N 1 0 352.519 2.279 50 0 FEAARO Cn1cc(CN2C(=O)CC[C@H]2CC[NH2+]CCOc2ccc(F)cc2)cn1 ZINC000014992858 211113049 /nfs/dbraw/zinc/11/30/49/211113049.db2.gz JXZLFZJGBLFKIJ-KRWDZBQOSA-N 1 0 360.433 2.109 50 0 FEAARO O=C(NCc1ccccc1)c1nn(CCO)c2c1C[N@H+](C1CCCC1)CC2 ZINC000014749772 211099911 /nfs/dbraw/zinc/09/99/11/211099911.db2.gz HJZQTXSZCCNFAD-UHFFFAOYSA-N 1 0 368.481 2.106 50 0 FEAARO COCC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014743727 211099957 /nfs/dbraw/zinc/09/99/57/211099957.db2.gz XLTYWDONMAPJFY-MRXNPFEDSA-N 1 0 362.518 2.259 50 0 FEAARO C[C@@H](C(=O)NCCN1C(=O)CSC1=O)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000014095910 211073879 /nfs/dbraw/zinc/07/38/79/211073879.db2.gz YHOKXMFBWRKOIW-NWDGAFQWSA-N 1 0 367.496 2.085 50 0 FEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000013612996 211041971 /nfs/dbraw/zinc/04/19/71/211041971.db2.gz FWHCDOFXYSXJHL-HUUCEWRRSA-N 1 0 370.515 2.350 50 0 FEAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3sccc3C)CC2)O1 ZINC000012098841 210915481 /nfs/dbraw/zinc/91/54/81/210915481.db2.gz RYSIVHDOOQZGNN-OAHLLOKOSA-N 1 0 352.500 2.333 50 0 FEAARO CC(C)CCN1CC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)OC1=O ZINC000077375285 542374502 /nfs/dbraw/zinc/37/45/02/542374502.db2.gz YQUSNYWBJNEWTF-INIZCTEOSA-N 1 0 351.491 2.330 50 0 FEAARO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000077388755 542376132 /nfs/dbraw/zinc/37/61/32/542376132.db2.gz SKRDITGIYIVAOV-GOSISDBHSA-N 1 0 374.481 2.181 50 0 FEAARO COc1cccc(CN2CCN(C(=O)C[NH+]3CCCCCCC3)CC2=O)c1 ZINC000077405988 542378420 /nfs/dbraw/zinc/37/84/20/542378420.db2.gz GDXLJZBKLZLJTH-UHFFFAOYSA-N 1 0 373.497 2.132 50 0 FEAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(OCCO)cc3)C2)CN1C1CC1 ZINC000077407676 542379047 /nfs/dbraw/zinc/37/90/47/542379047.db2.gz VZBIPSNFTKQMTI-OAQYLSRUSA-N 1 0 358.482 2.425 50 0 FEAARO Cn1cc(Cl)c(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000077541181 542394993 /nfs/dbraw/zinc/39/49/93/542394993.db2.gz KBESMJAMXNHNHK-UHFFFAOYSA-N 1 0 358.873 2.389 50 0 FEAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000000892389 210286277 /nfs/dbraw/zinc/28/62/77/210286277.db2.gz PAJXYSYWHDMKNR-SFHVURJKSA-N 1 0 366.417 2.328 50 0 FEAARO CC[NH+]1CCN(C[C@@H](O)COCCOc2ccccc2C(C)C)CC1 ZINC000022466311 220386694 /nfs/dbraw/zinc/38/66/94/220386694.db2.gz DMTWLQAUQBKRAY-GOSISDBHSA-N 1 0 350.503 2.204 50 0 FEAARO C[NH+]1CCN([C@H](CNC(=O)C2CCCCC2)c2ccc3c(c2)OCO3)CC1 ZINC000022577249 220391031 /nfs/dbraw/zinc/39/10/31/220391031.db2.gz RKGPRZVZHOXWHU-GOSISDBHSA-N 1 0 373.497 2.400 50 0 FEAARO CN1Cc2ccccc2C[C@H]1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065376507 221205932 /nfs/dbraw/zinc/20/59/32/221205932.db2.gz YKJVZWLKFXHRIC-HNNXBMFYSA-N 1 0 366.490 2.160 50 0 FEAARO COc1cccc2c1OCC(CN1CCN([C@H]3C[NH+]4CCC3CC4)CC1)=C2 ZINC000065381444 221207421 /nfs/dbraw/zinc/20/74/21/221207421.db2.gz MYVRXHRGZJKCTA-FQEVSTJZSA-N 1 0 369.509 2.183 50 0 FEAARO COc1ccc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)cc1C[NH+](C)C ZINC000065409500 221215728 /nfs/dbraw/zinc/21/57/28/221215728.db2.gz UYFKSVACSRBBJN-AWEZNQCLSA-N 1 0 374.510 2.431 50 0 FEAARO CCNc1ncc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)cn1 ZINC000065427273 221217646 /nfs/dbraw/zinc/21/76/46/221217646.db2.gz XLYTZBHXRQMYEC-UHFFFAOYSA-N 1 0 355.442 2.008 50 0 FEAARO CCn1c(CC2CC[NH2+]CC2)nn(Cc2cccc(OC(F)F)c2)c1=O ZINC000065456233 221222221 /nfs/dbraw/zinc/22/22/21/221222221.db2.gz VTFSOAJIHXGGAW-UHFFFAOYSA-N 1 0 366.412 2.257 50 0 FEAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1cccnc1N1CCCC1 ZINC000065478766 221223866 /nfs/dbraw/zinc/22/38/66/221223866.db2.gz CBXHQQSSJQLGMK-SJLPKXTDSA-N 1 0 373.501 2.304 50 0 FEAARO COc1cc2cc(C[N@@H+]3CCC[C@H]3Cn3cccn3)c(=O)[nH]c2cc1OC ZINC000067587762 221261258 /nfs/dbraw/zinc/26/12/58/221261258.db2.gz ARHBQTJGKQJJMZ-INIZCTEOSA-N 1 0 368.437 2.406 50 0 FEAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)C[C@H]1CO ZINC000067714191 221275398 /nfs/dbraw/zinc/27/53/98/221275398.db2.gz JPEHFUDVFOUYMD-CVEARBPZSA-N 1 0 350.422 2.025 50 0 FEAARO CC[N@@H+](Cc1cccc(C(=O)Nc2nc(C)n(C)n2)c1)C[C@@H]1CCCO1 ZINC000067714729 221276585 /nfs/dbraw/zinc/27/65/85/221276585.db2.gz TUDKCIHARQMNGK-KRWDZBQOSA-N 1 0 357.458 2.377 50 0 FEAARO C[NH+](C)CCNc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cn1 ZINC000067689345 221271953 /nfs/dbraw/zinc/27/19/53/221271953.db2.gz PNLXODAKPYMVBG-MRXNPFEDSA-N 1 0 370.453 2.015 50 0 FEAARO Cc1nc2c(c(NCc3ccc(C(=O)N4CCCC4)cc3)n1)CC[NH2+]C2 ZINC000067712966 221273548 /nfs/dbraw/zinc/27/35/48/221273548.db2.gz VQAWTORJRAKFEW-UHFFFAOYSA-N 1 0 351.454 2.279 50 0 FEAARO CCn1c(=O)n(Cc2cccc(OC(F)F)c2)nc1[C@H]1CCC[NH2+]C1 ZINC000067816925 221289108 /nfs/dbraw/zinc/28/91/08/221289108.db2.gz MZFQDEKYTVSOCK-ZDUSSCGKSA-N 1 0 352.385 2.181 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H](CCCO)C3)cnn2c1 ZINC000067758780 221283508 /nfs/dbraw/zinc/28/35/08/221283508.db2.gz NQUASHRXYSBYAG-INIZCTEOSA-N 1 0 373.501 2.196 50 0 FEAARO CCn1c(=O)n(C)nc1[C@H]1CCC[N@@H+](C2CCN(c3ccccc3)CC2)C1 ZINC000067856233 221296276 /nfs/dbraw/zinc/29/62/76/221296276.db2.gz RVBUBVXAFQZXNJ-KRWDZBQOSA-N 1 0 369.513 2.450 50 0 FEAARO CC(C)c1ccc(-n2cc(C[NH+]3CCC4(CC3)NCCNC4=O)cn2)cc1 ZINC000067947393 221308034 /nfs/dbraw/zinc/30/80/34/221308034.db2.gz UPIGZTVWIHSDOQ-UHFFFAOYSA-N 1 0 367.497 2.050 50 0 FEAARO O=C(NCCc1nnc2n1CCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000069391568 221325650 /nfs/dbraw/zinc/32/56/50/221325650.db2.gz YGWCKENQMGKBNA-UHFFFAOYSA-N 1 0 353.470 2.183 50 0 FEAARO O=C(c1ccco1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071745517 221358329 /nfs/dbraw/zinc/35/83/29/221358329.db2.gz GMFBEGMMMWBGHB-MRXNPFEDSA-N 1 0 359.470 2.219 50 0 FEAARO CC(C)[C@H]1CN(S(=O)(=O)N(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071745663 221358637 /nfs/dbraw/zinc/35/86/37/221358637.db2.gz ZAESGKRVNZOBFS-QGZVFWFLSA-N 1 0 357.495 2.164 50 0 FEAARO COc1ccc(OC)c([C@H]2CCN(c3nc(C)nc4c3CC[NH2+]C4)C2)c1 ZINC000071763362 221369446 /nfs/dbraw/zinc/36/94/46/221369446.db2.gz GHYIUAMWJYKZNN-AWEZNQCLSA-N 1 0 354.454 2.442 50 0 FEAARO CCNc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc(C)[nH+]1 ZINC000077128452 132178640 /nfs/dbraw/zinc/17/86/40/132178640.db2.gz DXEHTZWRRSBUIM-UHFFFAOYSA-N 1 0 361.396 2.457 50 0 FEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ccc(C)nn1)C2 ZINC000096133054 132219648 /nfs/dbraw/zinc/21/96/48/132219648.db2.gz IXYWSYKBZXFRRW-GGPKGHCWSA-N 1 0 360.502 2.129 50 0 FEAARO Cc1ccccc1C[C@H](C)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000097165388 132228039 /nfs/dbraw/zinc/22/80/39/132228039.db2.gz OBCYTPNJBXOUAJ-KRWDZBQOSA-N 1 0 373.522 2.396 50 0 FEAARO Cc1cc2nc(C(C)C)cc(N3CC[N@H+](CC4CC4)[C@@H](CCO)C3)n2n1 ZINC000106951667 132240740 /nfs/dbraw/zinc/24/07/40/132240740.db2.gz IHAOLZFWGKQXNT-KRWDZBQOSA-N 1 0 357.502 2.444 50 0 FEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CCN(c2cccnc2)CC1 ZINC000299801485 132300592 /nfs/dbraw/zinc/30/05/92/132300592.db2.gz ZIGWTLAXSXSEJR-UHFFFAOYSA-N 1 0 374.872 2.425 50 0 FEAARO Cc1ccc2c(c1)N(CCC(=O)NCCC[NH+]1CCCCC1)C(=O)CO2 ZINC000003907268 132385988 /nfs/dbraw/zinc/38/59/88/132385988.db2.gz QHNNIBUEZPOELW-UHFFFAOYSA-N 1 0 359.470 2.103 50 0 FEAARO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000089573859 542764689 /nfs/dbraw/zinc/76/46/89/542764689.db2.gz UKBVRZMVHKMLKK-LATSOQNDSA-N 1 0 374.504 2.396 50 0 FEAARO [NH3+]C[C@H]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1 ZINC000091381644 542806443 /nfs/dbraw/zinc/80/64/43/542806443.db2.gz CFMXXDBHGQFRER-BUBBNXEVSA-N 1 0 370.497 2.049 50 0 FEAARO C[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)[NH+]1CCCCC1 ZINC000091382138 542806477 /nfs/dbraw/zinc/80/64/77/542806477.db2.gz QAHUBXKDUDLQMX-HNNXBMFYSA-N 1 0 356.470 2.286 50 0 FEAARO Cc1ncsc1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091445060 542807626 /nfs/dbraw/zinc/80/76/26/542807626.db2.gz USKDGCZTSPMBAA-IBGZPJMESA-N 1 0 362.543 2.360 50 0 FEAARO C[C@H](CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)C[NH+](C)C ZINC000091441393 542808053 /nfs/dbraw/zinc/80/80/53/542808053.db2.gz FWJJRIJMRIIPPR-BUBBNXEVSA-N 1 0 372.513 2.165 50 0 FEAARO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000091626270 542816341 /nfs/dbraw/zinc/81/63/41/542816341.db2.gz VMFOVPVNFPBHPH-CMDLKFMISA-N 1 0 367.490 2.042 50 0 FEAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2ncccn2)C3)cc2c1OCO2 ZINC000091665412 542818872 /nfs/dbraw/zinc/81/88/72/542818872.db2.gz BUQQXDJZENHPCI-GDBMZVCRSA-N 1 0 368.437 2.315 50 0 FEAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC000091755588 542823967 /nfs/dbraw/zinc/82/39/67/542823967.db2.gz QGPGSMJWPMBVFM-UHFFFAOYSA-N 1 0 367.852 2.169 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccccc2N2CCCC2)C[C@H]1CCCO ZINC000091644360 542818038 /nfs/dbraw/zinc/81/80/38/542818038.db2.gz BSJQQXPKADAGBX-MJGOQNOKSA-N 1 0 359.514 2.452 50 0 FEAARO C[NH2+][C@H](C(=O)N1CCC2(CC(=O)N(CC(C)C)C2)CC1)c1ccccc1 ZINC000091644453 542818234 /nfs/dbraw/zinc/81/82/34/542818234.db2.gz JBYLZKPQRZWMDO-IBGZPJMESA-N 1 0 357.498 2.444 50 0 FEAARO CCOc1ccc(CC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)cc1 ZINC000091807944 542826809 /nfs/dbraw/zinc/82/68/09/542826809.db2.gz ZPKLPTLJHLPAPE-UHFFFAOYSA-N 1 0 368.481 2.357 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)c1ccc([C@@H]3CC[NH2+]C3)cc1)CC2 ZINC000091908111 542832177 /nfs/dbraw/zinc/83/21/77/542832177.db2.gz MKHJRGNPGSQDQN-GOSISDBHSA-N 1 0 355.482 2.238 50 0 FEAARO Cc1cc(C)c2[nH]c(C[NH2+]CCn3c(C)cc(C)nc3=O)cc(=O)c2c1 ZINC000091907770 542832619 /nfs/dbraw/zinc/83/26/19/542832619.db2.gz IJNPIGTYDNJMDA-UHFFFAOYSA-N 1 0 352.438 2.108 50 0 FEAARO Cc1cc(C)n(-c2cccc(C[NH+]3C[C@@H]4CC[N@@H+](C)C[C@]4(C(=O)[O-])C3)c2)n1 ZINC000091931234 542833547 /nfs/dbraw/zinc/83/35/47/542833547.db2.gz HPGBFKUJCZAGMU-RXVVDRJESA-N 1 0 368.481 2.327 50 0 FEAARO Cc1nn(C)cc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000092096780 542845083 /nfs/dbraw/zinc/84/50/83/542845083.db2.gz QQBVERBSSMKAGF-QFBILLFUSA-N 1 0 364.493 2.432 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000095367488 542961508 /nfs/dbraw/zinc/96/15/08/542961508.db2.gz IEFBTECKKISUNS-MRXNPFEDSA-N 1 0 352.442 2.145 50 0 FEAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc(N(C)C)[nH+]1 ZINC000071754820 136140344 /nfs/dbraw/zinc/14/03/44/136140344.db2.gz PYUUEQRYMLUEJB-UHFFFAOYSA-N 1 0 358.421 2.344 50 0 FEAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(c2ncnc3ccsc32)C[C@H]1O ZINC000071774538 136141032 /nfs/dbraw/zinc/14/10/32/136141032.db2.gz JHKTZRCFMMKYHC-IAGOWNOFSA-N 1 0 369.494 2.200 50 0 FEAARO O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072150785 136142869 /nfs/dbraw/zinc/14/28/69/136142869.db2.gz DTFPPZDQHSXTGG-SJORKVTESA-N 1 0 371.481 2.372 50 0 FEAARO CCCC[N@@H+]1CCCn2nc(CN3CCN(c4ncccn4)CC3)cc2C1 ZINC000072166852 136143535 /nfs/dbraw/zinc/14/35/35/136143535.db2.gz MWEWEXCZHXXOJO-UHFFFAOYSA-N 1 0 369.517 2.001 50 0 FEAARO CC(=O)c1ccc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC000072426698 136146670 /nfs/dbraw/zinc/14/66/70/136146670.db2.gz BQNLCPLKIHKRRT-FQEVSTJZSA-N 1 0 358.486 2.055 50 0 FEAARO CN1CCC([N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095352393 542957637 /nfs/dbraw/zinc/95/76/37/542957637.db2.gz AHBPUTZVNYFCSK-VLCRHTCISA-N 1 0 369.509 2.372 50 0 FEAARO O=C(NCCNC(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000095358651 542959224 /nfs/dbraw/zinc/95/92/24/542959224.db2.gz OUHARNZDWVPPAN-MRXNPFEDSA-N 1 0 361.461 2.326 50 0 FEAARO C[C@H](Cn1cccn1)C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095363789 542960639 /nfs/dbraw/zinc/96/06/39/542960639.db2.gz SQHGHQOHKIFARP-QGZVFWFLSA-N 1 0 372.517 2.074 50 0 FEAARO COc1ccc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)o1 ZINC000095364142 542960714 /nfs/dbraw/zinc/96/07/14/542960714.db2.gz VYNUKVLKNINQGN-UHFFFAOYSA-N 1 0 360.458 2.456 50 0 FEAARO CCCC(=O)C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095363853 542960724 /nfs/dbraw/zinc/96/07/24/542960724.db2.gz HKTFICVDWCMUPR-DFQSSKMNSA-N 1 0 356.466 2.453 50 0 FEAARO CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 ZINC000095380934 542965569 /nfs/dbraw/zinc/96/55/69/542965569.db2.gz IIKZZCMFBNHPHX-GDBMZVCRSA-N 1 0 369.556 2.111 50 0 FEAARO CCCCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000095386005 542965957 /nfs/dbraw/zinc/96/59/57/542965957.db2.gz XTQZKVZGPCPZAO-GOSISDBHSA-N 1 0 361.534 2.027 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000095384917 542965978 /nfs/dbraw/zinc/96/59/78/542965978.db2.gz JGDPGBKOYLIDOT-SFHVURJKSA-N 1 0 355.486 2.179 50 0 FEAARO COc1ccc2c(c1)CC[N@@H+](Cc1cc(=O)n3cccc(O)c3n1)CC2 ZINC000095391698 542968517 /nfs/dbraw/zinc/96/85/17/542968517.db2.gz HVHCYRXIQADAKQ-UHFFFAOYSA-N 1 0 351.406 2.010 50 0 FEAARO C[C@H]1CN(Cc2nnc(-c3cccs3)o2)CCN1C1CC[NH+](C)CC1 ZINC000095456058 542970845 /nfs/dbraw/zinc/97/08/45/542970845.db2.gz YJKPMKMWIVSZFD-AWEZNQCLSA-N 1 0 361.515 2.398 50 0 FEAARO CN(C)c1ncncc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000095456101 542971109 /nfs/dbraw/zinc/97/11/09/542971109.db2.gz SBMVOSOBRIECEY-UHFFFAOYSA-N 1 0 372.448 2.468 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)COc1ccc(F)cc1)CC2 ZINC000095499242 542974580 /nfs/dbraw/zinc/97/45/80/542974580.db2.gz HYFXTXDAIPORHF-UHFFFAOYSA-N 1 0 372.444 2.324 50 0 FEAARO Cc1cnn(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)c1 ZINC000095512382 542977815 /nfs/dbraw/zinc/97/78/15/542977815.db2.gz XGUMAZSWLNLEEX-ZWKOTPCHSA-N 1 0 371.485 2.309 50 0 FEAARO Cc1cc(=O)[nH]c(CC[NH2+]C2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000095515200 542977849 /nfs/dbraw/zinc/97/78/49/542977849.db2.gz JNCYONPXQXXNAH-UHFFFAOYSA-N 1 0 353.426 2.021 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn(CC)c1C)CC2 ZINC000095513370 542978206 /nfs/dbraw/zinc/97/82/06/542978206.db2.gz TYEQKJDBXPAKMB-UHFFFAOYSA-N 1 0 370.501 2.334 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)CC1 ZINC000095996595 542985759 /nfs/dbraw/zinc/98/57/59/542985759.db2.gz FSTGOKZJDILMLQ-UHFFFAOYSA-N 1 0 373.478 2.050 50 0 FEAARO CCOC(=O)N1CCC([N@H+]2C[C@@H](c3ccc(C)o3)[C@H](NC(C)=O)C2)CC1 ZINC000095518614 542978965 /nfs/dbraw/zinc/97/89/65/542978965.db2.gz ZUXVZPDFRSEBQP-IAGOWNOFSA-N 1 0 363.458 2.113 50 0 FEAARO Cc1nnsc1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095523408 542980299 /nfs/dbraw/zinc/98/02/99/542980299.db2.gz KSXXFCLRLALAPO-AWEZNQCLSA-N 1 0 362.503 2.015 50 0 FEAARO CC[NH+]1CCC(CC(=O)N2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000095529212 542981845 /nfs/dbraw/zinc/98/18/45/542981845.db2.gz UXBQGUNGXDAGCD-UHFFFAOYSA-N 1 0 363.527 2.457 50 0 FEAARO COc1ccc(CNc2nn3c(nc(C[NH+]4CCCCC4)cc3=O)[nH]2)cc1 ZINC000101796303 543045813 /nfs/dbraw/zinc/04/58/13/543045813.db2.gz XKMWXSRCLHVYJS-UHFFFAOYSA-N 1 0 368.441 2.024 50 0 FEAARO COc1ccc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)o2)cc1 ZINC000096149160 222049635 /nfs/dbraw/zinc/04/96/35/222049635.db2.gz KTMBEDVIVZMAQV-OAHLLOKOSA-N 1 0 358.438 2.389 50 0 FEAARO Cc1nc2c(c(NCCCN3CC[NH+](C)CC3)n1)Cc1ccccc1OC2 ZINC000096148368 222050095 /nfs/dbraw/zinc/05/00/95/222050095.db2.gz YSDJXNNZPGVAJM-UHFFFAOYSA-N 1 0 367.497 2.318 50 0 FEAARO COC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1Cl ZINC000096152867 222055404 /nfs/dbraw/zinc/05/54/04/222055404.db2.gz BUMHDROKWIRPSS-ZDUSSCGKSA-N 1 0 369.849 2.095 50 0 FEAARO CN1CCN(C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)CC12CC[NH2+]CC2 ZINC000096180569 222067631 /nfs/dbraw/zinc/06/76/31/222067631.db2.gz YBEPOYZPZLFSIR-NRFANRHFSA-N 1 0 359.489 2.390 50 0 FEAARO CCn1cc(C[NH+]2CCC3(CCN(C(=O)C4CCC4)C[C@@H]3CO)CC2)cn1 ZINC000097117324 222162424 /nfs/dbraw/zinc/16/24/24/222162424.db2.gz YPXWPEIETSWEHT-LJQANCHMSA-N 1 0 374.529 2.126 50 0 FEAARO O=C(NC[C@H]1C[NH2+]CCOC1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000097527920 222188682 /nfs/dbraw/zinc/18/86/82/222188682.db2.gz KKNXUUYICHMUFN-OAHLLOKOSA-N 1 0 365.437 2.383 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C[C@@H]3CO)CC2)on1 ZINC000097681973 222205942 /nfs/dbraw/zinc/20/59/42/222205942.db2.gz PAUYIOHHDRCZEN-MRXNPFEDSA-N 1 0 373.453 2.313 50 0 FEAARO O=C(NCC1(N2CCOCC2)CCCC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097711679 222207489 /nfs/dbraw/zinc/20/74/89/222207489.db2.gz SBEJGPYIIDXIOX-UHFFFAOYSA-N 1 0 361.486 2.250 50 0 FEAARO CCCn1nc(C)c(NC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c1C ZINC000097730027 222209368 /nfs/dbraw/zinc/20/93/68/222209368.db2.gz SSBYQYZWIJRMGX-GOSISDBHSA-N 1 0 374.533 2.154 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)c2cnc(N)nc2-c2ccccc2)CC1 ZINC000097773234 222211503 /nfs/dbraw/zinc/21/15/03/222211503.db2.gz YFIIIKDQBAXGAO-UHFFFAOYSA-N 1 0 371.510 2.283 50 0 FEAARO O=C(C[C@@H]1COCC[NH2+]1)N(CCc1ccc(F)cc1)Cc1cccnc1 ZINC000097813716 222214269 /nfs/dbraw/zinc/21/42/69/222214269.db2.gz SVGFSSDGAQPIHP-LJQANCHMSA-N 1 0 357.429 2.171 50 0 FEAARO Cn1nnc(-c2ccc(C(=O)NC3(C[NH+]4CCCC4)CCCCC3)cc2)n1 ZINC000097813668 222215014 /nfs/dbraw/zinc/21/50/14/222215014.db2.gz IBESIFMCVTVPRC-UHFFFAOYSA-N 1 0 368.485 2.406 50 0 FEAARO O=c1c2c(nc3cc([C@@H]4CCC[NH2+]C4)[n-]n31)CC[N@@H+](Cc1ccccc1)C2 ZINC000100003401 222231048 /nfs/dbraw/zinc/23/10/48/222231048.db2.gz HOHOCNXEZPXLTI-MRXNPFEDSA-N 1 0 363.465 2.460 50 0 FEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCNc2cnccn2)C1 ZINC000106135539 222383791 /nfs/dbraw/zinc/38/37/91/222383791.db2.gz RSEUNDKQSXCMOW-NVXWUHKLSA-N 1 0 354.458 2.023 50 0 FEAARO C[N@@H+]1CCN(Cc2cncn2C2CCCCC2)C[C@@]12CCNC(=O)CC2 ZINC000107410717 222393921 /nfs/dbraw/zinc/39/39/21/222393921.db2.gz SJEGOGYTZALNHW-HXUWFJFHSA-N 1 0 359.518 2.175 50 0 FEAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1cccc(-c2cc(C(F)(F)F)ccn2)c1 ZINC000426380017 263569707 /nfs/dbraw/zinc/56/97/07/263569707.db2.gz YJMCQIQIXYBMKM-GDBMZVCRSA-N 1 0 365.355 2.220 50 0 FEAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CC[C@@](O)(c2ccccc2)C1 ZINC000426737363 263666732 /nfs/dbraw/zinc/66/67/32/263666732.db2.gz IETKPTAHNFEGIE-IBGZPJMESA-N 1 0 360.841 2.411 50 0 FEAARO C[C@H](CN(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1nccs1 ZINC000182716330 327786141 /nfs/dbraw/zinc/78/61/41/327786141.db2.gz JADRHXTYHNCITC-HUUCEWRRSA-N 1 0 366.531 2.389 50 0 FEAARO O=C(CCc1c[nH]cn1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000193168804 328360985 /nfs/dbraw/zinc/36/09/85/328360985.db2.gz KOHCUZHYOQLUSU-UHFFFAOYSA-N 1 0 362.437 2.148 50 0 FEAARO C[NH+]1CCN(c2cc(CNC(=O)N3Cc4ccccc4C3)ccn2)CC1 ZINC000106260686 325593233 /nfs/dbraw/zinc/59/32/33/325593233.db2.gz DGQQATCAOMVIDA-UHFFFAOYSA-N 1 0 351.454 2.059 50 0 FEAARO C[C@H]([NH3+])CC(=O)N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000261763770 328817656 /nfs/dbraw/zinc/81/76/56/328817656.db2.gz IDJAAIHNYVWQLX-LSDHHAIUSA-N 1 0 353.422 2.438 50 0 FEAARO CCOc1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1OCc1cccnc1 ZINC000179069216 520656167 /nfs/dbraw/zinc/65/61/67/520656167.db2.gz GZHOSWOFHFFJNK-QGZVFWFLSA-N 1 0 355.438 2.493 50 0 FEAARO CCC[C@H](C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)[NH+](C)C ZINC000089949404 520975183 /nfs/dbraw/zinc/97/51/83/520975183.db2.gz KCROAUUSEJGMKV-LJQANCHMSA-N 1 0 374.529 2.062 50 0 FEAARO CCOc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000020375768 521164637 /nfs/dbraw/zinc/16/46/37/521164637.db2.gz ILLVYQDLGOSIMH-UHFFFAOYSA-N 1 0 370.453 2.250 50 0 FEAARO CN(Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1)Cc1ccccc1 ZINC000248037024 523166656 /nfs/dbraw/zinc/16/66/56/523166656.db2.gz JRWPPJHDABMOPZ-KRWDZBQOSA-N 1 0 354.454 2.227 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)COc1cccc(Cl)c1)C2 ZINC000091643304 523887733 /nfs/dbraw/zinc/88/77/33/523887733.db2.gz KRODJNYIBOWLNB-GDBMZVCRSA-N 1 0 352.862 2.288 50 0 FEAARO COc1ccc(CC(=O)N2CCC(C[N@@H+]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000085468241 523890653 /nfs/dbraw/zinc/89/06/53/523890653.db2.gz VJEPSRVILGCWHH-QGZVFWFLSA-N 1 0 359.514 2.112 50 0 FEAARO C[C@H]1CN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000153865636 524552295 /nfs/dbraw/zinc/55/22/95/524552295.db2.gz FKJCBHFRYNNVLU-KBPBESRZSA-N 1 0 362.451 2.076 50 0 FEAARO COc1coc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cc1=O ZINC000091663911 524943519 /nfs/dbraw/zinc/94/35/19/524943519.db2.gz JFGLEOQNARZFLB-HXUWFJFHSA-N 1 0 360.454 2.263 50 0 FEAARO Cc1ccccc1OC1CN(C(=O)[C@H]2CCCN2C2CC[NH+](C)CC2)C1 ZINC000082147992 525277250 /nfs/dbraw/zinc/27/72/50/525277250.db2.gz YKOQETPVZNLDJA-LJQANCHMSA-N 1 0 357.498 2.143 50 0 FEAARO Cc1n[nH]c(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c1C ZINC000091468712 525473108 /nfs/dbraw/zinc/47/31/08/525473108.db2.gz OATOUIGXFANBNQ-PKOBYXMFSA-N 1 0 367.497 2.477 50 0 FEAARO Cc1cc([C@H]2CCCCN2C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)no1 ZINC000243893871 525540940 /nfs/dbraw/zinc/54/09/40/525540940.db2.gz AUWJTPDQGTUIOC-JKIFEVAISA-N 1 0 358.446 2.384 50 0 FEAARO O=C(CC[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1)NCc1ccc(F)cc1 ZINC000091694863 526495881 /nfs/dbraw/zinc/49/58/81/526495881.db2.gz HCKAEDIUSWNKJE-PKOBYXMFSA-N 1 0 373.472 2.165 50 0 FEAARO Cc1nc(CCCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)sc1C ZINC000244773989 526808602 /nfs/dbraw/zinc/80/86/02/526808602.db2.gz PKDGXADFJWMCQX-OKILXGFUSA-N 1 0 362.503 2.156 50 0 FEAARO NC(=O)C1CC[NH+](CC(=O)N2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000091462447 526855861 /nfs/dbraw/zinc/85/58/61/526855861.db2.gz DJTCNVVJXXLNLK-LJQANCHMSA-N 1 0 357.498 2.198 50 0 FEAARO Cn1cc(CC(=O)N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC000091289380 527180457 /nfs/dbraw/zinc/18/04/57/527180457.db2.gz DETVTAKWXUAFMF-QZTJIDSGSA-N 1 0 369.509 2.274 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C1 ZINC000158132186 527400806 /nfs/dbraw/zinc/40/08/06/527400806.db2.gz VBTMIPIFSBWNCC-KRWDZBQOSA-N 1 0 358.463 2.224 50 0 FEAARO OCC[C@@H]1CN(Cc2cccc3nonc32)CC[N@@H+]1CCc1ccccc1 ZINC000019791022 527566463 /nfs/dbraw/zinc/56/64/63/527566463.db2.gz VZWSJUKPYAMVJS-LJQANCHMSA-N 1 0 366.465 2.334 50 0 FEAARO CCCc1cnc(C)nc1N1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091587489 535436814 /nfs/dbraw/zinc/43/68/14/535436814.db2.gz NENMGNFCTJYOES-HXUWFJFHSA-N 1 0 362.518 2.037 50 0 FEAARO COc1ccc(-c2nc(C)nn2C2CC[NH+](C)CC2)cc1N1CCOCC1 ZINC000096141185 536510301 /nfs/dbraw/zinc/51/03/01/536510301.db2.gz QPCRVGDBBWAARD-UHFFFAOYSA-N 1 0 371.485 2.365 50 0 FEAARO O=C(NCC1CC[NH+](CCO)CC1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000171908604 546229985 /nfs/dbraw/zinc/22/99/85/546229985.db2.gz VUQOULRKBVKDNE-UHFFFAOYSA-N 1 0 361.461 2.329 50 0 FEAARO CNC(=O)Cc1nc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC000177606902 546652060 /nfs/dbraw/zinc/65/20/60/546652060.db2.gz RECQTHHQIXPLMK-INIZCTEOSA-N 1 0 364.559 2.376 50 0 FEAARO CCn1cc([C@H]2CN(C(=O)NCCC3CC[NH+](CC)CC3)CCO2)cn1 ZINC000189300551 548301033 /nfs/dbraw/zinc/30/10/33/548301033.db2.gz VJLZLLSYVFQMJF-GOSISDBHSA-N 1 0 363.506 2.108 50 0 FEAARO COc1cc(CN2CCc3n[nH]cc3C2)ccc1OCC[NH+]1CCCC1 ZINC000215244062 548669341 /nfs/dbraw/zinc/66/93/41/548669341.db2.gz SJMYXHXDZKVINS-UHFFFAOYSA-N 1 0 356.470 2.451 50 0 FEAARO Cc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nnn(C)n2)cc1)[NH+](C)C ZINC000216187250 548676078 /nfs/dbraw/zinc/67/60/78/548676078.db2.gz JISQWJIIAUMFNI-GOSISDBHSA-N 1 0 364.453 2.218 50 0 FEAARO COc1cccc(-c2nc3c([nH]2)CCN(C(=O)C2(C)CC[NH2+]CC2)C3)c1 ZINC000216248835 548676145 /nfs/dbraw/zinc/67/61/45/548676145.db2.gz HSVVSTGYKVSFSU-UHFFFAOYSA-N 1 0 354.454 2.360 50 0 FEAARO C[NH+]1CCN([C@H]2CCN(C(=O)CSc3ccc(Cl)cc3)C2)CC1 ZINC000218813805 548690114 /nfs/dbraw/zinc/69/01/14/548690114.db2.gz GCFBAQHSJPIBDA-HNNXBMFYSA-N 1 0 353.919 2.280 50 0 FEAARO C[NH+]1CCN([C@@H]2CCN(C(=O)CSc3ccc(Cl)cc3)C2)CC1 ZINC000218813727 548690164 /nfs/dbraw/zinc/69/01/64/548690164.db2.gz GCFBAQHSJPIBDA-OAHLLOKOSA-N 1 0 353.919 2.280 50 0 FEAARO c1coc(CN2CCC([NH2+][C@@H]3COCC[C@H]3Oc3ccccn3)CC2)c1 ZINC000220194540 548698745 /nfs/dbraw/zinc/69/87/45/548698745.db2.gz FHKGLYOLWWKVAY-RTBURBONSA-N 1 0 357.454 2.465 50 0 FEAARO O[C@H](c1cc2n(n1)CCN(C1CC[NH+](Cc3ccco3)CC1)C2)C1CC1 ZINC000222876902 548713538 /nfs/dbraw/zinc/71/35/38/548713538.db2.gz YQQSRGDQUQUUES-FQEVSTJZSA-N 1 0 356.470 2.400 50 0 FEAARO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000223506694 548721237 /nfs/dbraw/zinc/72/12/37/548721237.db2.gz FQYITJKXUFMAQS-LJQANCHMSA-N 1 0 360.454 2.028 50 0 FEAARO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Br)c(C)n1 ZINC000225524802 548736836 /nfs/dbraw/zinc/73/68/36/548736836.db2.gz KKALXAUACYUIAW-LBPRGKRZSA-N 1 0 373.295 2.367 50 0 FEAARO COc1cccc2[nH]cc(CC(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)c21 ZINC000225617293 548739120 /nfs/dbraw/zinc/73/91/20/548739120.db2.gz KJMPYZSUCJMDMK-HNNXBMFYSA-N 1 0 371.481 2.431 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000237207253 548808647 /nfs/dbraw/zinc/80/86/47/548808647.db2.gz RBTOSIOBQOTHMB-JTQLQIEISA-N 1 0 354.369 2.465 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000237210510 548808997 /nfs/dbraw/zinc/80/89/97/548808997.db2.gz FLARBORANAODPQ-JTQLQIEISA-N 1 0 365.268 2.208 50 0 FEAARO C[NH2+]C[C@H]1CCCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000237293725 548816289 /nfs/dbraw/zinc/81/62/89/548816289.db2.gz AQWQSUBDBYEHLQ-CYBMUJFWSA-N 1 0 360.376 2.465 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 ZINC000237361646 548821479 /nfs/dbraw/zinc/82/14/79/548821479.db2.gz ZOTTVJIOSCWBMS-UHFFFAOYSA-N 1 0 361.305 2.378 50 0 FEAARO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000237757360 548851296 /nfs/dbraw/zinc/85/12/96/548851296.db2.gz AVNSPSCPIJUPAC-QGZVFWFLSA-N 1 0 357.433 2.189 50 0 FEAARO COc1cccc(-n2cc(CNc3cc([C@H]4C[C@@H](O)C4)[nH+]c(N)n3)cn2)c1 ZINC000243893207 548889034 /nfs/dbraw/zinc/88/90/34/548889034.db2.gz APIDNZZZTMRDSL-OTVXOJSOSA-N 1 0 366.425 2.104 50 0 FEAARO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3nnc(C4CC4)s3)C2)[nH]1 ZINC000244601878 548890838 /nfs/dbraw/zinc/89/08/38/548890838.db2.gz DTJGGNXTDIJQTI-GFCCVEGCSA-N 1 0 361.475 2.050 50 0 FEAARO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000244659522 548891884 /nfs/dbraw/zinc/89/18/84/548891884.db2.gz HEEIDDHNYPYUEI-OKILXGFUSA-N 1 0 358.515 2.037 50 0 FEAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N(C)Cc2ccc3c(c2)OCO3)n1 ZINC000244673671 548892050 /nfs/dbraw/zinc/89/20/50/548892050.db2.gz HTNMGSDEVGMASP-HDJSIYSDSA-N 1 0 356.426 2.193 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000244723890 548894119 /nfs/dbraw/zinc/89/41/19/548894119.db2.gz MJKYCLPQHBDASS-IBGZPJMESA-N 1 0 368.481 2.209 50 0 FEAARO CC1CC[NH+](Cc2ccc(C(=O)NCCCc3nnc(N)s3)o2)CC1 ZINC000244724664 548894272 /nfs/dbraw/zinc/89/42/72/548894272.db2.gz MYGZVHNYGRBBJI-UHFFFAOYSA-N 1 0 363.487 2.308 50 0 FEAARO COc1cc(CCC(=O)N[C@@H]([C@H]2C[C@@H](O)C2)C2CC[NH2+]CC2)ccc1C ZINC000244873364 548898319 /nfs/dbraw/zinc/89/83/19/548898319.db2.gz WOXPCDNWJJKORR-LVCYWYKZSA-N 1 0 360.498 2.192 50 0 FEAARO Cc1nc(CNC(=O)CC2CC[NH+](Cc3ccccc3)CC2)cc(=O)[nH]1 ZINC000252502154 549670023 /nfs/dbraw/zinc/67/00/23/549670023.db2.gz UMZGJYLPUNSOHL-UHFFFAOYSA-N 1 0 354.454 2.409 50 0 FEAARO CCO[C@@H]1C[C@@](O)(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000252523085 549673267 /nfs/dbraw/zinc/67/32/67/549673267.db2.gz BVUITQWKHSYCTG-AVBTWRTFSA-N 1 0 374.481 2.217 50 0 FEAARO Cc1cnc([C@@H]2CCCO2)n1CC1CCN(C(=O)c2cncn2C)CC1 ZINC000257189265 549714736 /nfs/dbraw/zinc/71/47/36/549714736.db2.gz IBYQWTOPIPADCW-KRWDZBQOSA-N 1 0 357.458 2.329 50 0 FEAARO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284002011 551465414 /nfs/dbraw/zinc/46/54/14/551465414.db2.gz DOTIMLRJALLXNO-CYBMUJFWSA-N 1 0 358.442 2.076 50 0 FEAARO O=C(c1cccc(-n2cnnn2)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000298533674 553436774 /nfs/dbraw/zinc/43/67/74/553436774.db2.gz JCIWGJRLHWOICM-GOSISDBHSA-N 1 0 360.421 2.287 50 0 FEAARO Cn1cnnc1SCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299799351 553616377 /nfs/dbraw/zinc/61/63/77/553616377.db2.gz FWDZLMSFWLQWRF-BBWFWOEESA-N 1 0 371.510 2.249 50 0 FEAARO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000333808020 554645285 /nfs/dbraw/zinc/64/52/85/554645285.db2.gz IUPODCMHJNSLKO-YJBOKZPZSA-N 1 0 364.511 2.311 50 0 FEAARO CCCCN1CCOC[C@@H]1C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000376639810 558201473 /nfs/dbraw/zinc/20/14/73/558201473.db2.gz LECWBWHNWXDRQE-GOSISDBHSA-N 1 0 367.534 2.031 50 0 FEAARO COc1ccc(C(=O)NCc2nc(C3CCCCC3)no2)cc1OCC[NH3+] ZINC000426508153 559736249 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C[C@@H](CCn1cccn1)NC(=O)N(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000426633820 559739216 /nfs/dbraw/zinc/73/92/16/559739216.db2.gz GVZJPKYEGHJMNE-KRWDZBQOSA-N 1 0 370.501 2.363 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N(C)Cc3ccccn3)cc2C1 ZINC000534581057 562537132 /nfs/dbraw/zinc/53/71/32/562537132.db2.gz DFHLAIBIIQKFES-UHFFFAOYSA-N 1 0 356.474 2.235 50 0 FEAARO c1ccc(CNc2ncc(CN3CC[NH+](C4CCOCC4)CC3)cn2)cc1 ZINC000216012523 568100637 /nfs/dbraw/zinc/10/06/37/568100637.db2.gz NCWYZXQPKQPZQB-UHFFFAOYSA-N 1 0 367.497 2.385 50 0 FEAARO Cc1ccnc(N2CCC(C(=O)NCC[N@@H+](C)C3CCCCC3)CC2)n1 ZINC000065001766 570784040 /nfs/dbraw/zinc/78/40/40/570784040.db2.gz GEOWSIAVGDVUFQ-UHFFFAOYSA-N 1 0 359.518 2.382 50 0 FEAARO CC(C)c1noc(CCCC(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000046744970 570865195 /nfs/dbraw/zinc/86/51/95/570865195.db2.gz TZRKUGDWLNAYRM-MRXNPFEDSA-N 1 0 364.490 2.229 50 0 FEAARO CCC[NH+]1CCN(C(=O)CCc2c(C)c(C(=O)OCC)n(C)c2C)CC1 ZINC000046046620 570923138 /nfs/dbraw/zinc/92/31/38/570923138.db2.gz CFBSQZCRIUFUBA-UHFFFAOYSA-N 1 0 363.502 2.305 50 0 FEAARO C[C@@H]1CCC[N@H+](CCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000046878511 571078946 /nfs/dbraw/zinc/07/89/46/571078946.db2.gz XRVONLIMLOQZGD-OAHLLOKOSA-N 1 0 353.507 2.482 50 0 FEAARO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc43)C2)[C@H]1C(C)C ZINC000685941601 571101402 /nfs/dbraw/zinc/10/14/02/571101402.db2.gz FSUXYGXJTFXTPF-CIWUYKSXSA-N 1 0 356.470 2.163 50 0 FEAARO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000685943138 571103582 /nfs/dbraw/zinc/10/35/82/571103582.db2.gz XASMQVYLHSQSSR-INIZCTEOSA-N 1 0 356.474 2.204 50 0 FEAARO C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H](O)c1ccccc1 ZINC000426373572 571216594 /nfs/dbraw/zinc/21/65/94/571216594.db2.gz FBEWGOKDDBXRQQ-JXFKEZNVSA-N 1 0 353.466 2.466 50 0 FEAARO Cc1nccn1CCN(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426387117 571218194 /nfs/dbraw/zinc/21/81/94/571218194.db2.gz POXUONJJUFMNHT-LJQANCHMSA-N 1 0 355.486 2.355 50 0 FEAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)NC[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000426388578 571218622 /nfs/dbraw/zinc/21/86/22/571218622.db2.gz VMPPLZVMSFJQAZ-INIZCTEOSA-N 1 0 367.453 2.038 50 0 FEAARO Cc1cnc(C)c(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2)n1 ZINC000426440462 571225395 /nfs/dbraw/zinc/22/53/95/571225395.db2.gz ZWNFNOHMOIGJQX-IBGZPJMESA-N 1 0 368.481 2.337 50 0 FEAARO COc1c(F)cccc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12 ZINC000426443050 571225633 /nfs/dbraw/zinc/22/56/33/571225633.db2.gz SICOPINNIWRPMQ-HHXXYDBFSA-N 1 0 353.434 2.355 50 0 FEAARO O=S(=O)(NCCC[N@H+]1CCC[C@H](CO)C1)c1cc2ccccc2s1 ZINC000670434679 571346430 /nfs/dbraw/zinc/34/64/30/571346430.db2.gz OYPORHCAFBMVRT-AWEZNQCLSA-N 1 0 368.524 2.274 50 0 FEAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNc1cncc(C(=O)N2CCCC2)n1 ZINC000670443526 571349458 /nfs/dbraw/zinc/34/94/58/571349458.db2.gz MCQBUXGDDCSMBJ-KRWDZBQOSA-N 1 0 351.454 2.181 50 0 FEAARO CCC[NH+]1CCC(CNS(=O)(=O)CCOc2ccc(C)cc2)CC1 ZINC000670444962 571350428 /nfs/dbraw/zinc/35/04/28/571350428.db2.gz BAKKQEPSQDSIKN-UHFFFAOYSA-N 1 0 354.516 2.415 50 0 FEAARO COC[C@@H]1C[N@H+](C)CC12CCN(S(=O)(=O)c1cc(F)ccc1C)CC2 ZINC000169782649 672322101 /nfs/dbraw/zinc/32/21/01/672322101.db2.gz SPOMMDPTBYKNLY-HNNXBMFYSA-N 1 0 370.490 2.113 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@H](C3CCN(S(C)(=O)=O)CC3)C2)cc1C ZINC000169783808 672322536 /nfs/dbraw/zinc/32/25/36/672322536.db2.gz NLIXMGBHZHBCIM-SFHVURJKSA-N 1 0 366.527 2.497 50 0 FEAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)c1ccccc1C(F)(F)F ZINC000952976505 681794486 /nfs/dbraw/zinc/79/44/86/681794486.db2.gz RWFOJVZJIYZCDJ-RYUDHWBXSA-N 1 0 357.376 2.080 50 0 FEAARO COc1cc(Cl)cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000952986445 681795725 /nfs/dbraw/zinc/79/57/25/681795725.db2.gz YAWQOHSXGXOWPX-HNNXBMFYSA-N 1 0 365.905 2.448 50 0 FEAARO COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000033775268 210246429 /nfs/dbraw/zinc/24/64/29/210246429.db2.gz PJNSPPYTWYDWLK-XDJHFCHBSA-N 1 0 367.449 2.144 50 0 FEAARO Cc1c(C[NH+]2CCN(c3ccccn3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000002498231 539348632 /nfs/dbraw/zinc/34/86/32/539348632.db2.gz CBBFAEORKMUOIB-UHFFFAOYSA-N 1 0 363.465 2.202 50 0 FEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OC)c1OC ZINC000004622824 539388969 /nfs/dbraw/zinc/38/89/69/539388969.db2.gz BRFPKZILQHSRTP-INIZCTEOSA-N 1 0 353.382 2.349 50 0 FEAARO CC1CC[NH+](CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000004687371 539390361 /nfs/dbraw/zinc/39/03/61/539390361.db2.gz WLMYQCWCOKBGSC-UHFFFAOYSA-N 1 0 368.481 2.149 50 0 FEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000004687397 539390085 /nfs/dbraw/zinc/39/00/85/539390085.db2.gz FSIVMXSIKAMHKJ-KRWDZBQOSA-N 1 0 368.481 2.291 50 0 FEAARO C[NH+](C)C[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 ZINC000007818231 539468385 /nfs/dbraw/zinc/46/83/85/539468385.db2.gz OHXPQTJKTHBCQQ-MRXNPFEDSA-N 1 0 353.422 2.404 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000008343747 539484476 /nfs/dbraw/zinc/48/44/76/539484476.db2.gz NDAIWXAKSLKACX-UXHICEINSA-N 1 0 365.477 2.454 50 0 FEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000009377296 539502161 /nfs/dbraw/zinc/50/21/61/539502161.db2.gz WQNNASVADLPEDM-QGZVFWFLSA-N 1 0 351.410 2.427 50 0 FEAARO C[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000133127537 210070233 /nfs/dbraw/zinc/07/02/33/210070233.db2.gz MZLXKUXKXRFDGW-AWEZNQCLSA-N 1 0 363.259 2.459 50 0 FEAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cn1 ZINC000012429890 539559365 /nfs/dbraw/zinc/55/93/65/539559365.db2.gz VCSDZDCWRBAFOO-QGZVFWFLSA-N 1 0 364.453 2.457 50 0 FEAARO COc1ccc(OC)c(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000012441423 539560464 /nfs/dbraw/zinc/56/04/64/539560464.db2.gz FGHBVCNTWINVCY-UHFFFAOYSA-N 1 0 356.488 2.103 50 0 FEAARO O=C(NCCCN1CCCC1=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299798349 210037930 /nfs/dbraw/zinc/03/79/30/210037930.db2.gz SJZCKVHKAKBWKK-OTWHNJEPSA-N 1 0 355.482 2.341 50 0 FEAARO COC(=O)c1ccc(NC(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)cc1 ZINC000299802908 210041566 /nfs/dbraw/zinc/04/15/66/210041566.db2.gz YBKDYVDVFMQLQH-UHFFFAOYSA-N 1 0 374.485 2.107 50 0 FEAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1nnc2n1CCCCC2 ZINC000299792086 210033379 /nfs/dbraw/zinc/03/33/79/210033379.db2.gz DPYINKCWMZGBES-OAHLLOKOSA-N 1 0 353.470 2.181 50 0 FEAARO O=C(NCc1ccccc1-n1cccn1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000299788493 210032157 /nfs/dbraw/zinc/03/21/57/210032157.db2.gz UCTNHHVSDPCYDQ-GOSISDBHSA-N 1 0 368.481 2.380 50 0 FEAARO C[C@@H]1CN(C(=O)c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)CC[NH2+]1 ZINC000299782641 210027590 /nfs/dbraw/zinc/02/75/90/210027590.db2.gz QAUOLWWMLXPKHW-CQSZACIVSA-N 1 0 358.463 2.191 50 0 FEAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1C(C)C ZINC000299782167 210024462 /nfs/dbraw/zinc/02/44/62/210024462.db2.gz VLMXAWFOHAMDJP-BAQDPJJQSA-N 1 0 363.546 2.015 50 0 FEAARO COc1cccc(-c2cccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000299782132 210025206 /nfs/dbraw/zinc/02/52/06/210025206.db2.gz FPJZTERHTOSFDI-HXUWFJFHSA-N 1 0 365.477 2.482 50 0 FEAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cc(=O)cc(C)n2C)C1 ZINC000299778487 210023533 /nfs/dbraw/zinc/02/35/33/210023533.db2.gz GKMHKEZIWDTPAD-KRWDZBQOSA-N 1 0 353.466 2.221 50 0 FEAARO CC(=O)Nc1ccc(C)c(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000299775828 210020316 /nfs/dbraw/zinc/02/03/16/210020316.db2.gz KVBAHRHDKBYKSK-ROUUACIJSA-N 1 0 360.458 2.328 50 0 FEAARO Cc1cc(C[C@H](C)NC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)[nH]n1 ZINC000299775475 210021329 /nfs/dbraw/zinc/02/13/29/210021329.db2.gz FXBABQRNBYPIFB-NSHDSACASA-N 1 0 350.850 2.460 50 0 FEAARO CO[C@]12CC[N@H+](Cc3nc(C)n4ccccc34)[C@H]1C[C@H](OCCO)CC2 ZINC000299776571 210021196 /nfs/dbraw/zinc/02/11/96/210021196.db2.gz DDUNITZPDFXOSW-LSTHTHJFSA-N 1 0 359.470 2.164 50 0 FEAARO Cc1cc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)on1 ZINC000012702831 539569692 /nfs/dbraw/zinc/56/96/92/539569692.db2.gz ROPFHLFZGOPZDN-LJQANCHMSA-N 1 0 361.417 2.108 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000299754441 210006697 /nfs/dbraw/zinc/00/66/97/210006697.db2.gz ORJWKYZXZHZGBX-WZOJCFFYSA-N 1 0 374.533 2.202 50 0 FEAARO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000014136926 539596493 /nfs/dbraw/zinc/59/64/93/539596493.db2.gz DYSBNNKOGPWTME-UHFFFAOYSA-N 1 0 367.496 2.165 50 0 FEAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016993884 539638142 /nfs/dbraw/zinc/63/81/42/539638142.db2.gz NSWSAHFNABCYGA-YWZLYKJASA-N 1 0 370.453 2.067 50 0 FEAARO CCOc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000020374033 539674608 /nfs/dbraw/zinc/67/46/08/539674608.db2.gz HJELBFAXXTWEPK-UHFFFAOYSA-N 1 0 354.454 2.413 50 0 FEAARO CCOC(=O)c1noc2ncnc(N3CCC([NH+]4CCCCC4)CC3)c12 ZINC000020992233 539679133 /nfs/dbraw/zinc/67/91/33/539679133.db2.gz DNAFYAVBFDCAMI-UHFFFAOYSA-N 1 0 359.430 2.249 50 0 FEAARO C[NH2+]Cc1cn(C2CCN(c3nc(C(F)(F)F)nc(C)c3C)CC2)nn1 ZINC000023153540 539707524 /nfs/dbraw/zinc/70/75/24/539707524.db2.gz INWOHLUAYBDVSW-UHFFFAOYSA-N 1 0 369.395 2.265 50 0 FEAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](CCOC)CC2)cc1C ZINC000022999864 539704376 /nfs/dbraw/zinc/70/43/76/539704376.db2.gz JEEBIDYQXNTUDB-UHFFFAOYSA-N 1 0 370.515 2.030 50 0 FEAARO COc1cccc(-n2cc(CNc3cc(C4CC([NH3+])C4)nc(N)n3)cn2)c1 ZINC000223796810 222794972 /nfs/dbraw/zinc/79/49/72/222794972.db2.gz KKCVRAYXYPFGCB-UHFFFAOYSA-N 1 0 365.441 2.070 50 0 FEAARO CC(=O)N1C[C@H](C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)Oc2ccccc21 ZINC000032819032 539954469 /nfs/dbraw/zinc/95/44/69/539954469.db2.gz IDUOSKUZUIWCTQ-AZUAARDMSA-N 1 0 367.449 2.220 50 0 FEAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnc2ccccn2c1=O ZINC000032900153 539957976 /nfs/dbraw/zinc/95/79/76/539957976.db2.gz ZEDGUFGFYXDJMM-UHFFFAOYSA-N 1 0 364.449 2.466 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCC[C@H](C)[NH+]2CCCC2)c1=O ZINC000033005352 539963063 /nfs/dbraw/zinc/96/30/63/539963063.db2.gz VLFSSFLNUAPGCE-HNNXBMFYSA-N 1 0 356.470 2.086 50 0 FEAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000033022698 539964018 /nfs/dbraw/zinc/96/40/18/539964018.db2.gz RQGRINHHBINLOM-UHFFFAOYSA-N 1 0 361.471 2.034 50 0 FEAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCC(C)C ZINC000036095692 539987109 /nfs/dbraw/zinc/98/71/09/539987109.db2.gz CTINUCNBSWWWJG-QGZVFWFLSA-N 1 0 355.475 2.186 50 0 FEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-n2cnnn2)ccc1Cl ZINC000036569457 539991287 /nfs/dbraw/zinc/99/12/87/539991287.db2.gz BCZKYLBFKNXXNI-CXAGYDPISA-N 1 0 374.876 2.310 50 0 FEAARO OCCOc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000039364526 540001314 /nfs/dbraw/zinc/00/13/14/540001314.db2.gz PBDWCFKOHODMEH-HXUWFJFHSA-N 1 0 362.514 2.259 50 0 FEAARO O=C(c1cnn(Cc2ccccc2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040118562 540007079 /nfs/dbraw/zinc/00/70/79/540007079.db2.gz IUCJZPNNOQHDRP-UHFFFAOYSA-N 1 0 368.481 2.116 50 0 FEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cc3c(C)noc3C)cc2)CC1 ZINC000040115684 540006898 /nfs/dbraw/zinc/00/68/98/540006898.db2.gz GZCJHTDBNFLAQB-UHFFFAOYSA-N 1 0 370.497 2.288 50 0 FEAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H](O)c2ccc(O)cc2)cc1 ZINC000040162331 540008875 /nfs/dbraw/zinc/00/88/75/540008875.db2.gz RETXRGRLCBRPFM-HLLQZAQXSA-N 1 0 373.449 2.436 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)c2ccc(F)cc2Br)CC1 ZINC000041361810 540017629 /nfs/dbraw/zinc/01/76/29/540017629.db2.gz VBSBFIIBNRXTOR-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@@H]1c1ccccc1 ZINC000237581192 222907721 /nfs/dbraw/zinc/90/77/21/222907721.db2.gz DTNVPEAYZBLOJX-YJBOKZPZSA-N 1 0 353.470 2.468 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC)c2c1CCCC2 ZINC000055104357 540628863 /nfs/dbraw/zinc/62/88/63/540628863.db2.gz WAPSLTWHNCPDDS-AWEZNQCLSA-N 1 0 352.500 2.337 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2c(C)nc(N)nc2C)s1 ZINC000055182858 540633627 /nfs/dbraw/zinc/63/36/27/540633627.db2.gz QZLDFJPLLBEHCY-UHFFFAOYSA-N 1 0 361.515 2.178 50 0 FEAARO CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055036060 540622499 /nfs/dbraw/zinc/62/24/99/540622499.db2.gz CSGLBMNMNNBUPC-ZAOIQFLMSA-N 1 0 357.498 2.382 50 0 FEAARO O=C(C[N@H+](C1CC1)[C@H]1CCc2ccccc21)N1CCN(C(=O)C2CC2)CC1 ZINC000058180034 540832115 /nfs/dbraw/zinc/83/21/15/540832115.db2.gz BUICERQMGOPLGY-FQEVSTJZSA-N 1 0 367.493 2.219 50 0 FEAARO Cc1ccccc1C[NH+]1CCC(NC(=O)c2nc3nccc(C)n3n2)CC1 ZINC000058400045 540842030 /nfs/dbraw/zinc/84/20/30/540842030.db2.gz NARIHWLJUZQNTG-UHFFFAOYSA-N 1 0 364.453 2.136 50 0 FEAARO CCN1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)COc2cccc(Cl)c2)CC1 ZINC000072137204 541785890 /nfs/dbraw/zinc/78/58/90/541785890.db2.gz PMHJFSDRPZPCGF-MSOLQXFVSA-N 1 0 365.905 2.440 50 0 FEAARO O=C1NC[C@]2(CCC[N@H+](Cc3ccccc3OCCn3ccnc3)CC2)O1 ZINC000072140294 541786067 /nfs/dbraw/zinc/78/60/67/541786067.db2.gz FSZCDPZUPDZKND-HXUWFJFHSA-N 1 0 370.453 2.427 50 0 FEAARO Cc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)cc1O ZINC000072152403 541789886 /nfs/dbraw/zinc/78/98/86/541789886.db2.gz MGWFIHINFFZOIA-MOPGFXCFSA-N 1 0 352.434 2.249 50 0 FEAARO COc1ncccc1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072158842 541791757 /nfs/dbraw/zinc/79/17/57/541791757.db2.gz SSUOKNVGFYBZAU-SFHVURJKSA-N 1 0 351.450 2.406 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072163146 541792866 /nfs/dbraw/zinc/79/28/66/541792866.db2.gz IFVPJDYBMONNHX-KRWDZBQOSA-N 1 0 365.481 2.406 50 0 FEAARO NC(=O)COc1cccc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)c1 ZINC000072167929 541795066 /nfs/dbraw/zinc/79/50/66/541795066.db2.gz GABJRDKXMFQCMP-IBGZPJMESA-N 1 0 355.438 2.127 50 0 FEAARO O=C(c1cnc2cccnn12)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072426194 541811250 /nfs/dbraw/zinc/81/12/50/541811250.db2.gz WSZANEJKRPMFQS-UHFFFAOYSA-N 1 0 361.449 2.392 50 0 FEAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000072419581 541808256 /nfs/dbraw/zinc/80/82/56/541808256.db2.gz VJWMTHPMDOVVNY-QGZVFWFLSA-N 1 0 360.550 2.075 50 0 FEAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c1 ZINC000072420984 541808841 /nfs/dbraw/zinc/80/88/41/541808841.db2.gz NTTSSUYFSGQAJH-AWEZNQCLSA-N 1 0 361.465 2.404 50 0 FEAARO CCNC(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072423268 541809701 /nfs/dbraw/zinc/80/97/01/541809701.db2.gz RARYEFYKRJGXGR-NRFANRHFSA-N 1 0 357.498 2.417 50 0 FEAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000072425655 541810680 /nfs/dbraw/zinc/81/06/80/541810680.db2.gz UGXJTCUPUSMTQR-KRWDZBQOSA-N 1 0 369.517 2.158 50 0 FEAARO c1ccc(-c2nc3c(c(NCc4[nH]nc5c4CCC5)n2)CC[NH2+]CC3)nc1 ZINC000072431134 541812805 /nfs/dbraw/zinc/81/28/05/541812805.db2.gz QACGEMTXDLVLPG-UHFFFAOYSA-N 1 0 361.453 2.051 50 0 FEAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCCC[C@H]1CCc1ccccn1 ZINC000072434406 541813498 /nfs/dbraw/zinc/81/34/98/541813498.db2.gz STXZGTMENGDISY-IBGZPJMESA-N 1 0 367.497 2.328 50 0 FEAARO CN1CC[N@H+](C)C[C@H]1CNc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072477041 541819425 /nfs/dbraw/zinc/81/94/25/541819425.db2.gz FGLZCJVOPQXNSW-CQSZACIVSA-N 1 0 354.433 2.193 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072478545 541820573 /nfs/dbraw/zinc/82/05/73/541820573.db2.gz NTEHJGVWPHXFSF-KRWDZBQOSA-N 1 0 373.476 2.166 50 0 FEAARO CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000012731844 220022347 /nfs/dbraw/zinc/02/23/47/220022347.db2.gz FZEYWAIPQRUHPD-UHFFFAOYSA-N 1 0 369.531 2.142 50 0 FEAARO Cc1cc(N2C[C@H]3OC(=O)N(CC[NH+]4CCCCC4)[C@H]3C2)nc(C(C)C)n1 ZINC000012711154 220019262 /nfs/dbraw/zinc/01/92/62/220019262.db2.gz URMZQNDOSATMMY-DLBZAZTESA-N 1 0 373.501 2.404 50 0 FEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccncc2)CC1 ZINC000013324986 220063707 /nfs/dbraw/zinc/06/37/07/220063707.db2.gz KDLURBRZHAKUNP-UHFFFAOYSA-N 1 0 354.410 2.203 50 0 FEAARO CSc1cccc(NC(=O)N2CCC(Cn3cc(C[NH3+])nn3)CC2)c1 ZINC000023398710 211387640 /nfs/dbraw/zinc/38/76/40/211387640.db2.gz NSXNQTUNHFCUBZ-UHFFFAOYSA-N 1 0 360.487 2.403 50 0 FEAARO C[NH+]1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441748 211279837 /nfs/dbraw/zinc/27/98/37/211279837.db2.gz ODZGWRYCXWERTP-IRXDYDNUSA-N 1 0 371.934 2.177 50 0 FEAARO O=C1CCCN1c1ccc(N2CCC([NH2+]CCc3c[nH]cn3)CC2)cc1 ZINC000019146216 211204945 /nfs/dbraw/zinc/20/49/45/211204945.db2.gz PWFNZIJPTUAJIU-UHFFFAOYSA-N 1 0 353.470 2.338 50 0 FEAARO COc1cn(CC(=O)NC2CCCCC2)c(C[NH+]2CCCCC2)cc1=O ZINC000016974351 211173497 /nfs/dbraw/zinc/17/34/97/211173497.db2.gz JGMGVSSRINZPJY-UHFFFAOYSA-N 1 0 361.486 2.292 50 0 FEAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC[NH+](C)C ZINC000015681850 211137961 /nfs/dbraw/zinc/13/79/61/211137961.db2.gz QJVQTAGUTSDJNR-UHFFFAOYSA-N 1 0 360.433 2.219 50 0 FEAARO CC(=O)NCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015078205 211121436 /nfs/dbraw/zinc/12/14/36/211121436.db2.gz PHFGPXBMTDTXEC-KRWDZBQOSA-N 1 0 365.905 2.189 50 0 FEAARO Cc1ccccc1CC(=O)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000014996115 211113959 /nfs/dbraw/zinc/11/39/59/211113959.db2.gz VHAALBMWDFOTQR-UHFFFAOYSA-N 1 0 357.498 2.084 50 0 FEAARO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014752547 211100850 /nfs/dbraw/zinc/10/08/50/211100850.db2.gz XDFZASHPAHWKDY-AWEZNQCLSA-N 1 0 350.532 2.198 50 0 FEAARO COc1cc(C[NH2+]CCCCCO)ccc1OCC(=O)NC(C)(C)C ZINC000013727055 211054780 /nfs/dbraw/zinc/05/47/80/211054780.db2.gz QVPHGVARXDZMLG-UHFFFAOYSA-N 1 0 352.475 2.241 50 0 FEAARO CC(C)C[C@H]([NH2+][C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000012915663 211006398 /nfs/dbraw/zinc/00/63/98/211006398.db2.gz XZCQBYIDHKADIL-NXHRZFHOSA-N 1 0 366.527 2.397 50 0 FEAARO Cc1cccnc1CN1CCN(C(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000077321040 542366993 /nfs/dbraw/zinc/36/69/93/542366993.db2.gz JUSMVAYJZDTBHE-SFHVURJKSA-N 1 0 364.493 2.425 50 0 FEAARO Cc1cc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)nc(-c2ccccc2)n1 ZINC000077356847 542371797 /nfs/dbraw/zinc/37/17/97/542371797.db2.gz YZMZAXXNVFFVJF-NRFANRHFSA-N 1 0 368.481 2.116 50 0 FEAARO COc1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)ccn1 ZINC000077385797 542376189 /nfs/dbraw/zinc/37/61/89/542376189.db2.gz SIMFHCJEQRVLRD-UHFFFAOYSA-N 1 0 351.450 2.406 50 0 FEAARO Cc1cccc(-c2nc(CNc3nc4c(c(=O)[nH]3)CC[NH2+]C4)cs2)c1 ZINC000077390264 542377300 /nfs/dbraw/zinc/37/73/00/542377300.db2.gz UZTNASPNECHBCA-UHFFFAOYSA-N 1 0 353.451 2.460 50 0 FEAARO C[C@@H](C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1=O ZINC000077358567 542373054 /nfs/dbraw/zinc/37/30/54/542373054.db2.gz YRCZSEIKOBTFFS-KRWDZBQOSA-N 1 0 357.498 2.368 50 0 FEAARO C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077520911 542392032 /nfs/dbraw/zinc/39/20/32/542392032.db2.gz OIFBEDIDPHQVIA-ZDUSSCGKSA-N 1 0 369.421 2.018 50 0 FEAARO O=C(CCCOCc1ccccc1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077470075 542385643 /nfs/dbraw/zinc/38/56/43/542385643.db2.gz IINOWSUSEZCRMK-NRFANRHFSA-N 1 0 371.525 2.222 50 0 FEAARO Cc1cnc(CN2C[C@]3(CCCN(CC[NH+]4CCCC4)C3)CCC2=O)cn1 ZINC000077471782 542386065 /nfs/dbraw/zinc/38/60/65/542386065.db2.gz GUYSLJAVWMCCMI-OAQYLSRUSA-N 1 0 371.529 2.085 50 0 FEAARO O=C(CCc1ccc(F)cc1F)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077485607 542387300 /nfs/dbraw/zinc/38/73/00/542387300.db2.gz WUEVVMZWCCHPCC-IBGZPJMESA-N 1 0 363.452 2.136 50 0 FEAARO O=S(=O)(c1ccccc1)N(C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000000895827 210288421 /nfs/dbraw/zinc/28/84/21/210288421.db2.gz LKGJLRYIXVELFX-GOSISDBHSA-N 1 0 360.479 2.339 50 0 FEAARO COC(=O)c1ccc(OC[C@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)cc1 ZINC000000781075 210268458 /nfs/dbraw/zinc/26/84/58/210268458.db2.gz QARHOYVWTKFBOA-QGZVFWFLSA-N 1 0 369.441 2.309 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000022682200 220394441 /nfs/dbraw/zinc/39/44/41/220394441.db2.gz SJYQRMIGEHMXFD-PKOBYXMFSA-N 1 0 352.434 2.057 50 0 FEAARO COc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765395 220397089 /nfs/dbraw/zinc/39/70/89/220397089.db2.gz HYDRQBMFRFOOQO-SFHVURJKSA-N 1 0 359.495 2.475 50 0 FEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000048288393 221005760 /nfs/dbraw/zinc/00/57/60/221005760.db2.gz JLWAPLMHKNWITH-MRXNPFEDSA-N 1 0 351.406 2.022 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000062012614 221139513 /nfs/dbraw/zinc/13/95/13/221139513.db2.gz FRERWTYPZXSZMB-UHFFFAOYSA-N 1 0 372.429 2.222 50 0 FEAARO CCc1cccc(-n2nnc(C(=O)NCC[NH+](C)C)c2-c2ccncc2)c1 ZINC000065083350 221168213 /nfs/dbraw/zinc/16/82/13/221168213.db2.gz XDGKQMYQJBBXKE-UHFFFAOYSA-N 1 0 364.453 2.183 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000065363894 221202441 /nfs/dbraw/zinc/20/24/41/221202441.db2.gz YTCLNFIOCIQYJZ-UHFFFAOYSA-N 1 0 361.396 2.457 50 0 FEAARO O=C(CC[NH+]1CCN(CCc2ccncc2)CC1)NC1CCCCCC1 ZINC000065371613 221204376 /nfs/dbraw/zinc/20/43/76/221204376.db2.gz LPAVCRRWTXTXHB-UHFFFAOYSA-N 1 0 358.530 2.471 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000065257708 221189717 /nfs/dbraw/zinc/18/97/17/221189717.db2.gz NUWZMHOQHIOOKD-LJQANCHMSA-N 1 0 357.498 2.022 50 0 FEAARO Cc1ccc(OC2(C(=O)N(C)Cc3nncn3C(C)C)CC[NH2+]CC2)cc1 ZINC000065432802 221218952 /nfs/dbraw/zinc/21/89/52/221218952.db2.gz SNFDFPYLAZPPLQ-UHFFFAOYSA-N 1 0 371.485 2.327 50 0 FEAARO COC(=O)c1cc2n(n1)CCCN(C(=O)c1ccc([C@H]3CCC[NH2+]3)s1)C2 ZINC000065531642 221231544 /nfs/dbraw/zinc/23/15/44/221231544.db2.gz UUFMRRJDVAFGGP-CYBMUJFWSA-N 1 0 374.466 2.202 50 0 FEAARO C[NH+](C)CC(=O)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067739387 221278772 /nfs/dbraw/zinc/27/87/72/221278772.db2.gz MXECSIQZENWCSM-UHFFFAOYSA-N 1 0 353.401 2.456 50 0 FEAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H]1C[NH2+]CCO1)CCO2 ZINC000067673378 221267615 /nfs/dbraw/zinc/26/76/15/221267615.db2.gz BDFVTMNLDTURPV-IBGZPJMESA-N 1 0 368.433 2.077 50 0 FEAARO CN(CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000067696920 221273554 /nfs/dbraw/zinc/27/35/54/221273554.db2.gz DJMFLYNQECMGJR-GOSISDBHSA-N 1 0 365.905 2.266 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1coc2cc(C)ccc12 ZINC000067742343 221280356 /nfs/dbraw/zinc/28/03/56/221280356.db2.gz JMRZAESVEDRJNT-RDJZCZTQSA-N 1 0 357.454 2.080 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3cn[nH]c3)C2=O)cc1 ZINC000067757363 221282472 /nfs/dbraw/zinc/28/24/72/221282472.db2.gz JUKXXGBVAGAZNT-NRFANRHFSA-N 1 0 370.497 2.219 50 0 FEAARO Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000067773905 221284132 /nfs/dbraw/zinc/28/41/32/221284132.db2.gz ISRMTXNKVSPVLK-QGZVFWFLSA-N 1 0 356.514 2.345 50 0 FEAARO Cc1cc(C[NH2+]C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)ccn1 ZINC000067842197 221292629 /nfs/dbraw/zinc/29/26/29/221292629.db2.gz HAQPATHEBLXRLW-NRFANRHFSA-N 1 0 353.466 2.076 50 0 FEAARO Cc1ccc2c(c1)c(C[NH2+]C[C@@]1(O)CCCN(CC3CCC3)C1=O)nn2C ZINC000067840770 221292676 /nfs/dbraw/zinc/29/26/76/221292676.db2.gz FMPDMJZVQGXRTD-NRFANRHFSA-N 1 0 370.497 2.125 50 0 FEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]CCc3ncccc3C)C2=O)c1 ZINC000067843586 221294486 /nfs/dbraw/zinc/29/44/86/221294486.db2.gz QJRLNGJDKQMRBK-QFIPXVFZSA-N 1 0 367.493 2.384 50 0 FEAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000067855192 221295743 /nfs/dbraw/zinc/29/57/43/221295743.db2.gz RXXXHKVEAGEGDN-UHFFFAOYSA-N 1 0 366.469 2.167 50 0 FEAARO Cc1cc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)[nH]n1 ZINC000067856867 221297319 /nfs/dbraw/zinc/29/73/19/221297319.db2.gz LQSDLFCCXGWDLP-NRFANRHFSA-N 1 0 370.497 2.485 50 0 FEAARO CC[C@H]1CN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)CC[NH2+]1 ZINC000067981963 221312145 /nfs/dbraw/zinc/31/21/45/221312145.db2.gz NNSFZYIJBCULMC-HNNXBMFYSA-N 1 0 356.426 2.015 50 0 FEAARO Cc1cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[NH2+]CC3)ccc1F ZINC000067974888 221310548 /nfs/dbraw/zinc/31/05/48/221310548.db2.gz XLGVSIWRWYAVOA-INIZCTEOSA-N 1 0 359.449 2.389 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N3[C@@H]4CC[C@H]3C[NH2+]CC4)nc2)n1 ZINC000067966730 221310731 /nfs/dbraw/zinc/31/07/31/221310731.db2.gz SQMMKCRNXTWEEI-CVEARBPZSA-N 1 0 371.510 2.361 50 0 FEAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(COc2cncc(Cl)c2)on1 ZINC000067983544 221313373 /nfs/dbraw/zinc/31/33/73/221313373.db2.gz QGTRMSORJKQQCU-MRXNPFEDSA-N 1 0 362.817 2.126 50 0 FEAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000070014765 221330548 /nfs/dbraw/zinc/33/05/48/221330548.db2.gz STINEQGIKPJKKJ-CQSZACIVSA-N 1 0 373.478 2.096 50 0 FEAARO COc1ccc(C2(C(=O)N[C@H]3C[C@H]4CN(C)CC[N@@H+]4C3)CCCC2)cc1 ZINC000071315057 221341928 /nfs/dbraw/zinc/34/19/28/221341928.db2.gz PKLJLYYCUZSVPU-ROUUACIJSA-N 1 0 357.498 2.012 50 0 FEAARO CN1c2ccccc2[C@](CCC(=O)NCCC[NH3+])(Cc2ccccc2)C1=O ZINC000071753640 221364047 /nfs/dbraw/zinc/36/40/47/221364047.db2.gz NXSMKYIUIWVDSU-QFIPXVFZSA-N 1 0 365.477 2.389 50 0 FEAARO Cc1noc(C)c1Cn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071714451 221354828 /nfs/dbraw/zinc/35/48/28/221354828.db2.gz AASWTCICAJWMIV-HNNXBMFYSA-N 1 0 353.426 2.154 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 ZINC000071824171 221380679 /nfs/dbraw/zinc/38/06/79/221380679.db2.gz XEKQIXSVRKZQAE-ZDUSSCGKSA-N 1 0 361.364 2.084 50 0 FEAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](CCC(=O)N(C)C)C2)CC1 ZINC000072140465 221419356 /nfs/dbraw/zinc/41/93/56/221419356.db2.gz NXESVHRKOZTYSX-LJQANCHMSA-N 1 0 358.530 2.060 50 0 FEAARO c1nc(N2CCOCC2)ncc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077436795 132184859 /nfs/dbraw/zinc/18/48/59/132184859.db2.gz DGLOMGFTOOAHHS-LJQANCHMSA-N 1 0 359.518 2.154 50 0 FEAARO CCN1CC[C@]2(CN(c3cnc4ccccc4n3)CC[N@@H+]2C)CCC1=O ZINC000091550398 132202074 /nfs/dbraw/zinc/20/20/74/132202074.db2.gz JMWDCRNKLXOOAH-FQEVSTJZSA-N 1 0 353.470 2.153 50 0 FEAARO Cc1cc(C)nc(N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091504678 132202187 /nfs/dbraw/zinc/20/21/87/132202187.db2.gz DKFHQTXLZFISDO-QGZVFWFLSA-N 1 0 357.502 2.007 50 0 FEAARO CCn1c(Cn2cncn2)nnc1C1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000091779133 132203766 /nfs/dbraw/zinc/20/37/66/132203766.db2.gz DYKIXFAHAIPICG-UHFFFAOYSA-N 1 0 366.473 2.334 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3cncn3C3CC3)CC2)c1 ZINC000095368914 132208699 /nfs/dbraw/zinc/20/86/99/132208699.db2.gz JXAHHOTWLNYCEI-UHFFFAOYSA-N 1 0 367.497 2.355 50 0 FEAARO C[N@H+](CCn1cccn1)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000216262780 132271313 /nfs/dbraw/zinc/27/13/13/132271313.db2.gz KFCGTEGVVPFPLG-UHFFFAOYSA-N 1 0 351.454 2.400 50 0 FEAARO Nc1nc(NC2CCN(c3ccc(F)cc3)CC2)cc(C2CC([NH3+])C2)n1 ZINC000223722563 132280117 /nfs/dbraw/zinc/28/01/17/132280117.db2.gz MLSZYSQFYRVGQY-UHFFFAOYSA-N 1 0 356.449 2.484 50 0 FEAARO COc1ccccc1CN1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)ncn2)CC1 ZINC000252537372 132293339 /nfs/dbraw/zinc/29/33/39/132293339.db2.gz KZRHWZPLXCOXHV-QAQDUYKDSA-N 1 0 353.470 2.012 50 0 FEAARO c1sc(-c2ncccn2)nc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000058208455 132376411 /nfs/dbraw/zinc/37/64/11/132376411.db2.gz OSKQCDWXRKXFBQ-ZDUSSCGKSA-N 1 0 353.455 2.149 50 0 FEAARO O=C1[C@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000002183623 132382659 /nfs/dbraw/zinc/38/26/59/132382659.db2.gz WWAPNQKWAZMCKH-GOSISDBHSA-N 1 0 356.470 2.015 50 0 FEAARO C[C@H](Cn1cncn1)[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000019334209 132887687 /nfs/dbraw/zinc/88/76/87/132887687.db2.gz GHQNXGWRLPCGSM-MRXNPFEDSA-N 1 0 368.485 2.052 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@@H]2[NH3+])cc1 ZINC000091409865 542806244 /nfs/dbraw/zinc/80/62/44/542806244.db2.gz YOBMIYPQDXQIHT-MSOLQXFVSA-N 1 0 366.421 2.100 50 0 FEAARO Cc1cccn2c(=O)cc(C[N@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)nc12 ZINC000091411028 542806495 /nfs/dbraw/zinc/80/64/95/542806495.db2.gz RJZISFOTZAYGLC-NRFANRHFSA-N 1 0 368.481 2.226 50 0 FEAARO Cc1ccc(OCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000091444890 542807678 /nfs/dbraw/zinc/80/76/78/542807678.db2.gz MZOFSPMFXDYRHP-RTBURBONSA-N 1 0 360.498 2.235 50 0 FEAARO CC[C@H](C(=O)N(C)C)[NH+]1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091288937 542803868 /nfs/dbraw/zinc/80/38/68/542803868.db2.gz ZEHHUJUYISOZMI-MRXNPFEDSA-N 1 0 361.515 2.434 50 0 FEAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1 ZINC000091487051 542810548 /nfs/dbraw/zinc/81/05/48/542810548.db2.gz NLUXXEAOGDMZTI-UHFFFAOYSA-N 1 0 367.497 2.262 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ncccc1O)CC2 ZINC000091625436 542816761 /nfs/dbraw/zinc/81/67/61/542816761.db2.gz LMNGIWJVTOHICK-UHFFFAOYSA-N 1 0 369.469 2.156 50 0 FEAARO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(Cl)c(F)c3)C[C@@H]2CO)CC1 ZINC000091664488 542818878 /nfs/dbraw/zinc/81/88/78/542818878.db2.gz GQWCGYCAWWQVPF-IAGOWNOFSA-N 1 0 369.912 2.157 50 0 FEAARO Cn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000091725341 542821926 /nfs/dbraw/zinc/82/19/26/542821926.db2.gz OZHRZDITFQBRHD-UHFFFAOYSA-N 1 0 371.876 2.488 50 0 FEAARO CCCCc1nc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)c[nH]1 ZINC000091746493 542823647 /nfs/dbraw/zinc/82/36/47/542823647.db2.gz LVCIVUOARZEJTJ-FQEVSTJZSA-N 1 0 361.534 2.271 50 0 FEAARO CN(CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000091808628 542826998 /nfs/dbraw/zinc/82/69/98/542826998.db2.gz MNXHJXPFAWAQMK-RTBURBONSA-N 1 0 359.514 2.066 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2 ZINC000091950701 542833449 /nfs/dbraw/zinc/83/34/49/542833449.db2.gz GEGQFKFAAQMBCL-GOSISDBHSA-N 1 0 366.465 2.109 50 0 FEAARO CN(C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)[C@@H]1CC[N@H+](C)C1 ZINC000091933564 542833522 /nfs/dbraw/zinc/83/35/22/542833522.db2.gz XILLUYPFIDQASJ-HIHZZFLASA-N 1 0 370.497 2.426 50 0 FEAARO Cc1nccn1CCC[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000092046428 542841259 /nfs/dbraw/zinc/84/12/59/542841259.db2.gz BKKNVSZVUJPWEK-IBGZPJMESA-N 1 0 374.529 2.465 50 0 FEAARO Cc1cccc(C[NH+]2CCN(c3nc4nonc4nc3NC3CC3)CC2)c1 ZINC000055212073 136126200 /nfs/dbraw/zinc/12/62/00/136126200.db2.gz FMOQRVDPVYAPFP-UHFFFAOYSA-N 1 0 365.441 2.218 50 0 FEAARO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c(C)o1 ZINC000095367968 542961755 /nfs/dbraw/zinc/96/17/55/542961755.db2.gz FXPFQJGRKXLFCQ-NRFANRHFSA-N 1 0 373.497 2.445 50 0 FEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCN(Cc2ccccn2)CC1 ZINC000095369046 542962153 /nfs/dbraw/zinc/96/21/53/542962153.db2.gz HTICSEZPTKZNOL-UHFFFAOYSA-N 1 0 368.481 2.231 50 0 FEAARO Cc1nc(N(C)C)ncc1C(=O)N[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000095369810 542962243 /nfs/dbraw/zinc/96/22/43/542962243.db2.gz MYKARXIMRDNRLW-AWEZNQCLSA-N 1 0 353.470 2.028 50 0 FEAARO Cc1ccccc1CC1(NC(=O)[C@H]2C[NH2+]C[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000095371207 542962564 /nfs/dbraw/zinc/96/25/64/542962564.db2.gz CAKTYFLXZYUEAY-RTBURBONSA-N 1 0 369.509 2.034 50 0 FEAARO C[N@@H+]1CCCC2(CCN(c3cc(C(=O)N4CCOCC4)ccn3)CC2)CC1 ZINC000067803996 136137647 /nfs/dbraw/zinc/13/76/47/136137647.db2.gz YELZBJGVXZLWRO-UHFFFAOYSA-N 1 0 372.513 2.256 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNC(=O)c1ccccc1Cl ZINC000095372061 542963000 /nfs/dbraw/zinc/96/30/00/542963000.db2.gz WWKOAVVGFAYDPP-CQSZACIVSA-N 1 0 351.878 2.451 50 0 FEAARO C[C@H]1C[N@H+](C)C(C)(C)CN1c1ccnc(C(=O)NCc2cccnc2)c1 ZINC000071768042 136140898 /nfs/dbraw/zinc/14/08/98/136140898.db2.gz KGDUUSALLARLRK-HNNXBMFYSA-N 1 0 353.470 2.326 50 0 FEAARO Cc1nccnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768009 136140916 /nfs/dbraw/zinc/14/09/16/136140916.db2.gz SSUSRBRLPOIXRS-QGZVFWFLSA-N 1 0 357.502 2.088 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ncccc3C(F)(F)F)CC[C@H]21 ZINC000072429150 136146835 /nfs/dbraw/zinc/14/68/35/136146835.db2.gz QHTOGKGYACWUON-GXTWGEPZSA-N 1 0 356.392 2.137 50 0 FEAARO Cc1ccc(C(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000072441640 136147739 /nfs/dbraw/zinc/14/77/39/136147739.db2.gz KMPQGXLFLGGDMB-UHFFFAOYSA-N 1 0 353.470 2.430 50 0 FEAARO CCc1cnc(C)nc1N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072456900 136148427 /nfs/dbraw/zinc/14/84/27/136148427.db2.gz IGTGDOLLZHYVLF-FQEVSTJZSA-N 1 0 359.518 2.118 50 0 FEAARO O=C(C1CCCC1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697912 136151431 /nfs/dbraw/zinc/15/14/31/136151431.db2.gz MYIGSXYDLVAFSI-UHFFFAOYSA-N 1 0 352.442 2.454 50 0 FEAARO O=C(c1ccccc1)N1CCC([NH+]2CCC3(CC2)OCCC[C@@H]3O)CC1 ZINC000095358330 542959399 /nfs/dbraw/zinc/95/93/99/542959399.db2.gz SVEJLIDUVJNIQG-IBGZPJMESA-N 1 0 358.482 2.297 50 0 FEAARO O=S(=O)(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095362512 542959937 /nfs/dbraw/zinc/95/99/37/542959937.db2.gz WYXIFEPKSPNUAA-ZWKOTPCHSA-N 1 0 357.479 2.367 50 0 FEAARO CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000095390267 542968298 /nfs/dbraw/zinc/96/82/98/542968298.db2.gz JKAAKGUYGNQBBJ-KRWDZBQOSA-N 1 0 358.486 2.123 50 0 FEAARO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095389543 542968527 /nfs/dbraw/zinc/96/85/27/542968527.db2.gz JRVYROGAVAUSFD-QGZVFWFLSA-N 1 0 372.517 2.123 50 0 FEAARO COC(=O)c1cccc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)c1 ZINC000095441790 542969875 /nfs/dbraw/zinc/96/98/75/542969875.db2.gz LDZLZAXWZATPJV-UHFFFAOYSA-N 1 0 360.454 2.048 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)cc1 ZINC000095502133 542974997 /nfs/dbraw/zinc/97/49/97/542974997.db2.gz BXYGJLMIEIHYLD-VQTJNVASSA-N 1 0 371.525 2.396 50 0 FEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3S1)CC2 ZINC000095502595 542975134 /nfs/dbraw/zinc/97/51/34/542975134.db2.gz IIYOFTLTNONVQD-QGZVFWFLSA-N 1 0 368.506 2.432 50 0 FEAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095501830 542975291 /nfs/dbraw/zinc/97/52/91/542975291.db2.gz MHLXODOEHCZTEJ-INIZCTEOSA-N 1 0 362.470 2.081 50 0 FEAARO COC(=O)c1ccc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)c(Cl)c1 ZINC000095505437 542975810 /nfs/dbraw/zinc/97/58/10/542975810.db2.gz PHYPRODEWDPEHM-GJZGRUSLSA-N 1 0 367.833 2.111 50 0 FEAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](CC(N)=O)C3)cc2)c1 ZINC000095516537 542977910 /nfs/dbraw/zinc/97/79/10/542977910.db2.gz CEZOGSSGHHKALK-QGZVFWFLSA-N 1 0 367.449 2.498 50 0 FEAARO CCOCCOc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000095961589 542984469 /nfs/dbraw/zinc/98/44/69/542984469.db2.gz PWSQYYWIZXYQHX-MRXNPFEDSA-N 1 0 370.515 2.112 50 0 FEAARO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000095408056 221900819 /nfs/dbraw/zinc/90/08/19/221900819.db2.gz QECIBAMOIHSKIB-CABCVRRESA-N 1 0 367.440 2.464 50 0 FEAARO Nc1n[nH]c(C[NH2+]C2CCN(c3nc4ccc(Cl)cc4s3)CC2)n1 ZINC000095504815 221931283 /nfs/dbraw/zinc/93/12/83/221931283.db2.gz SBWQCZPFWMENKM-UHFFFAOYSA-N 1 0 363.878 2.409 50 0 FEAARO [NH3+][C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000095972603 221983913 /nfs/dbraw/zinc/98/39/13/221983913.db2.gz OPRBUQVALANCTE-VIFPVBQESA-N 1 0 362.295 2.446 50 0 FEAARO [NH3+]Cc1cc(NC(=O)c2ccccn2)cc(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000096133499 222039861 /nfs/dbraw/zinc/03/98/61/222039861.db2.gz RTVNKNXVCBXTOI-CYBMUJFWSA-N 1 0 365.393 2.347 50 0 FEAARO CCC(=O)Nc1ccc(F)c(NC(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000096141730 222045551 /nfs/dbraw/zinc/04/55/51/222045551.db2.gz LWCCDLAGTWPWQO-ZDUSSCGKSA-N 1 0 366.437 2.000 50 0 FEAARO O=C(c1ccc(N2CCCC2=O)cc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096148073 222050194 /nfs/dbraw/zinc/05/01/94/222050194.db2.gz YHCRJBZKCKYVMQ-UHFFFAOYSA-N 1 0 373.522 2.467 50 0 FEAARO COCCOCc1nc(CC2CC[NH+](C)CC2)nn1-c1cccc(F)c1 ZINC000096152904 222055249 /nfs/dbraw/zinc/05/52/49/222055249.db2.gz SDBUZPSMAIWBEP-UHFFFAOYSA-N 1 0 362.449 2.454 50 0 FEAARO Cc1cc(C)c(-c2cc(C(=O)NCCC(=O)NCC[NH+](C)C)no2)c(C)c1 ZINC000096210847 222080497 /nfs/dbraw/zinc/08/04/97/222080497.db2.gz PZSOSBYTFNRMSQ-UHFFFAOYSA-N 1 0 372.469 2.065 50 0 FEAARO CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)[C@H](C[NH3+])C1 ZINC000097019725 222152248 /nfs/dbraw/zinc/15/22/48/222152248.db2.gz TUHZINBHCMVALX-GFCCVEGCSA-N 1 0 356.451 2.271 50 0 FEAARO CCn1cc(C[NH+]2CCC3(CCN(C(=O)C4CCC4)C[C@H]3CO)CC2)cn1 ZINC000097117328 222162359 /nfs/dbraw/zinc/16/23/59/222162359.db2.gz YPXWPEIETSWEHT-IBGZPJMESA-N 1 0 374.529 2.126 50 0 FEAARO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(Br)cc1 ZINC000097230316 222169986 /nfs/dbraw/zinc/16/99/86/222169986.db2.gz DFKLMNPQPLXLDE-CABCVRRESA-N 1 0 355.276 2.425 50 0 FEAARO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H](O)c1ccc(Br)cc1 ZINC000097230313 222170865 /nfs/dbraw/zinc/17/08/65/222170865.db2.gz DFKLMNPQPLXLDE-HUUCEWRRSA-N 1 0 355.276 2.425 50 0 FEAARO O[C@H]1COC[C@@H]1N1CCC[N@H+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000097347115 222176829 /nfs/dbraw/zinc/17/68/29/222176829.db2.gz ONBNYIUTRLQYQP-ROUUACIJSA-N 1 0 359.495 2.078 50 0 FEAARO OC1(Cn2ccnc2)CC[NH+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097492363 222184734 /nfs/dbraw/zinc/18/47/34/222184734.db2.gz FWICIEUJPUOWMS-UHFFFAOYSA-N 1 0 355.417 2.235 50 0 FEAARO Cc1ccsc1[C@@H](CNC(=O)c1ccc2c(c1)ncn2CCO)[NH+](C)C ZINC000097505830 222187603 /nfs/dbraw/zinc/18/76/03/222187603.db2.gz KFVHKOBBZMYITR-QGZVFWFLSA-N 1 0 372.494 2.431 50 0 FEAARO CC(C)Cc1noc([C@H](C)NC(=O)C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000097600957 222197339 /nfs/dbraw/zinc/19/73/39/222197339.db2.gz ZJHDDFWENAGJFY-AWEZNQCLSA-N 1 0 364.490 2.336 50 0 FEAARO Cc1nc2ncccn2c1C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000097636484 222201016 /nfs/dbraw/zinc/20/10/16/222201016.db2.gz NUWLNNAHKAYJMH-UHFFFAOYSA-N 1 0 355.467 2.494 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Nc1cccc(Cl)c1 ZINC000097680004 222205231 /nfs/dbraw/zinc/20/52/31/222205231.db2.gz MCTFIAWOPYRXKW-OAHLLOKOSA-N 1 0 352.866 2.404 50 0 FEAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCCCSc2ccc(Cl)cc2)C1 ZINC000097729766 222208825 /nfs/dbraw/zinc/20/88/25/222208825.db2.gz AWWSFIUARYIISK-CYBMUJFWSA-N 1 0 369.918 2.136 50 0 FEAARO CC1CC[NH+](Cc2cc(=O)n3nc(NCc4ccc(F)cc4)[nH]c3n2)CC1 ZINC000101796461 222283815 /nfs/dbraw/zinc/28/38/15/222283815.db2.gz TZIANVBMFVLLOC-UHFFFAOYSA-N 1 0 370.432 2.401 50 0 FEAARO C[N@@H+]1CCN(Cc2ccccc2OC(F)(F)F)C[C@@]12CCNC(=O)CC2 ZINC000107406081 222393760 /nfs/dbraw/zinc/39/37/60/222393760.db2.gz CYFDDGAMTCUOIA-QGZVFWFLSA-N 1 0 371.403 2.372 50 0 FEAARO Cc1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)ccc1NC(=O)CC(C)C ZINC000152466709 544657711 /nfs/dbraw/zinc/65/77/11/544657711.db2.gz ZAEGAJCXLZLEAY-ZWKOTPCHSA-N 1 0 359.470 2.135 50 0 FEAARO CNC(=O)Cc1ccc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000426613648 263645237 /nfs/dbraw/zinc/64/52/37/263645237.db2.gz QBRLSBOBMSHBAF-UHFFFAOYSA-N 1 0 365.477 2.468 50 0 FEAARO COc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)c(OCC[NH3+])c1 ZINC000426691306 263658858 /nfs/dbraw/zinc/65/88/58/263658858.db2.gz PPGWZMCFBIJDOQ-UHFFFAOYSA-N 1 0 371.437 2.111 50 0 FEAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(c2nccs2)CC1 ZINC000171853602 327165759 /nfs/dbraw/zinc/16/57/59/327165759.db2.gz IQKZTQYBRPDCMF-OAHLLOKOSA-N 1 0 351.520 2.239 50 0 FEAARO Cn1cc(N2CCC[C@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)cn1 ZINC000173911011 327293646 /nfs/dbraw/zinc/29/36/46/327293646.db2.gz FWJWHNGLPJFYAL-IBGZPJMESA-N 1 0 368.481 2.254 50 0 FEAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@@H](COc3cccc(F)c3)C2)CC1 ZINC000216569519 523807019 /nfs/dbraw/zinc/80/70/19/523807019.db2.gz XTMRKKPDIGUQOC-QGZVFWFLSA-N 1 0 363.477 2.081 50 0 FEAARO C[NH+]1CCN(Cc2ccc(N3CCC[C@@](CO)(CC4CC4)C3)nc2)CC1 ZINC000091468648 523910987 /nfs/dbraw/zinc/91/09/87/523910987.db2.gz YMMAJPZFHLEEJT-OAQYLSRUSA-N 1 0 358.530 2.208 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3ccc(SCCO)cc3)C[C@@H]2[NH3+])c1 ZINC000091594170 524181781 /nfs/dbraw/zinc/18/17/81/524181781.db2.gz HIECMIBWPYMEPT-MOPGFXCFSA-N 1 0 372.490 2.347 50 0 FEAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)c(C)c1 ZINC000020774906 524476914 /nfs/dbraw/zinc/47/69/14/524476914.db2.gz LHHURYHRVYNRLP-UHFFFAOYSA-N 1 0 369.513 2.268 50 0 FEAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000242178831 524659380 /nfs/dbraw/zinc/65/93/80/524659380.db2.gz XBEQUFKYYKIRPM-SCTDSRPQSA-N 1 0 372.513 2.396 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)CC[NH2+]1 ZINC000155151756 524866243 /nfs/dbraw/zinc/86/62/43/524866243.db2.gz OTWJPVABNQQVRM-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC[NH2+]1 ZINC000179183620 524884002 /nfs/dbraw/zinc/88/40/02/524884002.db2.gz FQGVOUBLDHFQFV-SNVBAGLBSA-N 1 0 356.323 2.464 50 0 FEAARO C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@H]1C[NH3+] ZINC000156963996 526266994 /nfs/dbraw/zinc/26/69/94/526266994.db2.gz BTGNHZSOBCEZEE-GWCFXTLKSA-N 1 0 364.389 2.180 50 0 FEAARO O=C(NCc1ccccc1COc1ccccc1Cl)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096585 526746122 /nfs/dbraw/zinc/74/61/22/526746122.db2.gz MXMDZZSAFXBUIE-DOTOQJQBSA-N 1 0 360.841 2.258 50 0 FEAARO OCCOc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000020204493 527558960 /nfs/dbraw/zinc/55/89/60/527558960.db2.gz PBDWCFKOHODMEH-FQEVSTJZSA-N 1 0 362.514 2.259 50 0 FEAARO OCCc1cn(C[C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)nn1 ZINC000019792968 527575264 /nfs/dbraw/zinc/57/52/64/527575264.db2.gz KWBAAHFWTYOPFN-MRXNPFEDSA-N 1 0 351.454 2.273 50 0 FEAARO CCC[NH+]1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2Cl)CC1 ZINC000057142267 534932714 /nfs/dbraw/zinc/93/27/14/534932714.db2.gz GIVBHTVAPLFKRS-UHFFFAOYSA-N 1 0 372.864 2.448 50 0 FEAARO C[NH+]1CCC(N2CCN(c3ncccc3C(F)(F)F)C[C@@H]2CCO)CC1 ZINC000072477906 536339764 /nfs/dbraw/zinc/33/97/64/536339764.db2.gz GIBCYFWFVPMNGA-HNNXBMFYSA-N 1 0 372.435 2.068 50 0 FEAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-n3cncn3)cc2)CC1 ZINC000012551167 536424298 /nfs/dbraw/zinc/42/42/98/536424298.db2.gz RJWFZAXVLJIKMQ-UHFFFAOYSA-N 1 0 362.437 2.271 50 0 FEAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000227063069 536428020 /nfs/dbraw/zinc/42/80/20/536428020.db2.gz NSWSAHFNABCYGA-MGPUTAFESA-N 1 0 370.453 2.067 50 0 FEAARO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155772732 545568183 /nfs/dbraw/zinc/56/81/83/545568183.db2.gz IGZDLDWJAAKIHV-RDJZCZTQSA-N 1 0 370.428 2.488 50 0 FEAARO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)no1 ZINC000164491421 546151310 /nfs/dbraw/zinc/15/13/10/546151310.db2.gz XMFYUXLDQZSRMZ-MRXNPFEDSA-N 1 0 355.398 2.318 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000169680673 546160028 /nfs/dbraw/zinc/16/00/28/546160028.db2.gz KJBYJLKQYRFYSL-YJBOKZPZSA-N 1 0 370.501 2.421 50 0 FEAARO Cn1cnc(-c2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)n1 ZINC000181811362 547384835 /nfs/dbraw/zinc/38/48/35/547384835.db2.gz GWIIAAYVLFQQPZ-HNNXBMFYSA-N 1 0 354.458 2.432 50 0 FEAARO O=C(c1cc2ccccc2[nH]c1=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000215293423 548669422 /nfs/dbraw/zinc/66/94/22/548669422.db2.gz OXMQHJONSBYHAQ-QGZVFWFLSA-N 1 0 369.465 2.245 50 0 FEAARO Cc1nc2ccc(Cl)cn2c1C(=O)NCC[C@H](C)[NH+]1CCN(C)CC1 ZINC000215386964 548671132 /nfs/dbraw/zinc/67/11/32/548671132.db2.gz LRQZTLGKVXDXTA-ZDUSSCGKSA-N 1 0 363.893 2.052 50 0 FEAARO Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)CN(C)C1CC[NH2+]CC1 ZINC000215648069 548672603 /nfs/dbraw/zinc/67/26/03/548672603.db2.gz PLYKVSXJDATMGD-HXUWFJFHSA-N 1 0 359.514 2.186 50 0 FEAARO CCn1ccc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1=O ZINC000215591973 548673144 /nfs/dbraw/zinc/67/31/44/548673144.db2.gz IWOIYVOMSWTOOD-IBGZPJMESA-N 1 0 353.466 2.478 50 0 FEAARO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cnc(-c3cccs3)nc1)CC2 ZINC000215810704 548674730 /nfs/dbraw/zinc/67/47/30/548674730.db2.gz HJXCGUQAUZTBPN-UHFFFAOYSA-N 1 0 353.451 2.198 50 0 FEAARO CCOC(=O)N1CCC([N@@H+]2CCc3nc(-c4cccnc4)[nH]c3C2)CC1 ZINC000216063647 548675637 /nfs/dbraw/zinc/67/56/37/548675637.db2.gz LERIQLXBZYIJSD-UHFFFAOYSA-N 1 0 355.442 2.451 50 0 FEAARO CCn1c(C)cc(C)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1=O ZINC000216415072 548677702 /nfs/dbraw/zinc/67/77/02/548677702.db2.gz GIXNJMOJEALYOX-UHFFFAOYSA-N 1 0 368.481 2.274 50 0 FEAARO CCOc1cc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)ccc1OC ZINC000219132069 548692694 /nfs/dbraw/zinc/69/26/94/548692694.db2.gz AJINNDUDWSQCMP-UHFFFAOYSA-N 1 0 357.458 2.307 50 0 FEAARO C[NH+]1CCC(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)(c2ccccc2)CC1 ZINC000221424183 548705709 /nfs/dbraw/zinc/70/57/09/548705709.db2.gz REVWGOKAZYJUQR-UHFFFAOYSA-N 1 0 364.449 2.136 50 0 FEAARO C[NH+](C)CCCOc1cccc(CN2CCCn3nc(CO)cc3C2)c1 ZINC000222407960 548708153 /nfs/dbraw/zinc/70/81/53/548708153.db2.gz DRFMCEJYDNQJEX-UHFFFAOYSA-N 1 0 358.486 2.112 50 0 FEAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccccc1OCCc1ccccc1 ZINC000222861463 548712941 /nfs/dbraw/zinc/71/29/41/548712941.db2.gz QGCAZXRXADGTQY-IBGZPJMESA-N 1 0 367.493 2.284 50 0 FEAARO Cn1cc([C@@H](NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)C2CC(O)C2)cn1 ZINC000223139719 548715297 /nfs/dbraw/zinc/71/52/97/548715297.db2.gz OTTSLZIVFUVXQR-PVARCSIZSA-N 1 0 362.518 2.295 50 0 FEAARO COc1cccc(S(=O)(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000225572509 548738252 /nfs/dbraw/zinc/73/82/52/548738252.db2.gz NLVMVZZPUOPZQV-HNNXBMFYSA-N 1 0 370.540 2.191 50 0 FEAARO CC1=C(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)n2ncnc2N1C ZINC000225703227 548741474 /nfs/dbraw/zinc/74/14/74/548741474.db2.gz BOTWUOCPOKWDPQ-HNNXBMFYSA-N 1 0 360.506 2.334 50 0 FEAARO CCNC(=O)COc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1OC ZINC000236913995 548787904 /nfs/dbraw/zinc/78/79/04/548787904.db2.gz VJUSCPLQIHBILJ-QGZVFWFLSA-N 1 0 370.449 2.303 50 0 FEAARO COc1ccc(Cl)cc1CN(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237088279 548798700 /nfs/dbraw/zinc/79/87/00/548798700.db2.gz CQLYNJKZGKCZRZ-UHFFFAOYSA-N 1 0 363.849 2.137 50 0 FEAARO Cc1c(C(=O)N(C)Cc2nc3ccccc3s2)nnn1C1CC[NH2+]CC1 ZINC000237256026 548811938 /nfs/dbraw/zinc/81/19/38/548811938.db2.gz PZDFYMDJOKWFFX-UHFFFAOYSA-N 1 0 370.482 2.393 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 ZINC000237357169 548820758 /nfs/dbraw/zinc/82/07/58/548820758.db2.gz QOCXMRAGNKMHPG-UHFFFAOYSA-N 1 0 361.305 2.378 50 0 FEAARO COc1cccc([C@@H]2CCCN2C(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000237542309 548833865 /nfs/dbraw/zinc/83/38/65/548833865.db2.gz ZNJMPINGMOJLCL-SFHVURJKSA-N 1 0 369.469 2.497 50 0 FEAARO O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000238110807 548878902 /nfs/dbraw/zinc/87/89/02/548878902.db2.gz JWUZVRJBGKSNSF-CVEARBPZSA-N 1 0 365.433 2.310 50 0 FEAARO Ic1cnc(CN2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000239807532 548884152 /nfs/dbraw/zinc/88/41/52/548884152.db2.gz CSTCQEFDAYUUCP-JTQLQIEISA-N 1 0 363.268 2.418 50 0 FEAARO COc1ccc(F)c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1OC ZINC000242339397 548885592 /nfs/dbraw/zinc/88/55/92/548885592.db2.gz ZHMKCIMFGJZMRV-UHFFFAOYSA-N 1 0 368.449 2.462 50 0 FEAARO CCc1nc2ccccc2n1CCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000243900877 548890079 /nfs/dbraw/zinc/89/00/79/548890079.db2.gz AWSIUIIWGBYJMG-UHFFFAOYSA-N 1 0 358.486 2.216 50 0 FEAARO Nc1nc(NCC2(c3ccccc3)CCOCC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244659710 548891743 /nfs/dbraw/zinc/89/17/43/548891743.db2.gz HHQLYTPTKFKXJT-FZNQNYSPSA-N 1 0 354.454 2.457 50 0 FEAARO Cc1cc(C(=O)N[C@H]2C[C@H](c3nnc(Cn4ccnc4)n3C)C2)ccc1F ZINC000244794587 548894537 /nfs/dbraw/zinc/89/45/37/548894537.db2.gz QPNNYSHJRGGZBI-SHTZXODSSA-N 1 0 368.416 2.183 50 0 FEAARO O=C(CC[NH+]1CCC2(CC1)OCCC[C@H]2O)Nc1ccc(F)cc1F ZINC000244764109 548895139 /nfs/dbraw/zinc/89/51/39/548895139.db2.gz PBLPLEVFRPZLJS-MRXNPFEDSA-N 1 0 354.397 2.299 50 0 FEAARO C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nncn1C ZINC000252517583 549672362 /nfs/dbraw/zinc/67/23/62/549672362.db2.gz MBFDFDVKADJVMK-SOLBZPMBSA-N 1 0 370.501 2.428 50 0 FEAARO C[N@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@@H]1CCSC1 ZINC000252523281 549673013 /nfs/dbraw/zinc/67/30/13/549673013.db2.gz CGLHDJHJSHPZNR-HUUCEWRRSA-N 1 0 371.547 2.187 50 0 FEAARO CCO[C@@H]1C[C@](O)(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000252523086 549673100 /nfs/dbraw/zinc/67/31/00/549673100.db2.gz BVUITQWKHSYCTG-OXTHUFEASA-N 1 0 374.481 2.217 50 0 FEAARO OC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000253413531 549687549 /nfs/dbraw/zinc/68/75/49/549687549.db2.gz VAEZATBGKTVBDT-DOTOQJQBSA-N 1 0 354.385 2.479 50 0 FEAARO CC(=O)N1CCc2nnc([C@H]3CC[N@H+](Cc4cc(C)ccc4C)C3)n2CC1 ZINC000257185348 549713712 /nfs/dbraw/zinc/71/37/12/549713712.db2.gz JKYQDQQBBKUODN-SFHVURJKSA-N 1 0 367.497 2.289 50 0 FEAARO Cc1noc([C@@]23CN(C(=O)c4cccnc4)C[C@@H]2CC[N@@H+](CC(C)C)C3)n1 ZINC000257187503 549713721 /nfs/dbraw/zinc/71/37/21/549713721.db2.gz LTNSBCFLRSOEGP-PXNSSMCTSA-N 1 0 369.469 2.145 50 0 FEAARO Cc1noc(C)c1COc1ccc(CN2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1 ZINC000257192398 549715540 /nfs/dbraw/zinc/71/55/40/549715540.db2.gz UMTLEFOSCXYARR-FXAWDEMLSA-N 1 0 359.470 2.225 50 0 FEAARO CCc1cc(N2CCC(c3n[nH]c(=O)o3)CC2)nc(-c2ccncc2)n1 ZINC000285503409 551766284 /nfs/dbraw/zinc/76/62/84/551766284.db2.gz FJZBBLVCNOGLCT-UHFFFAOYSA-N 1 0 352.398 2.161 50 0 FEAARO Cc1cccc(CC2(O)CC[NH+](C[C@@H](O)COCC(F)(F)F)CC2)c1 ZINC000292871808 552767124 /nfs/dbraw/zinc/76/71/24/552767124.db2.gz HPVBFSKFHMJHBC-MRXNPFEDSA-N 1 0 361.404 2.304 50 0 FEAARO Cc1nc2ccc(NC(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)cn2n1 ZINC000333258745 554595393 /nfs/dbraw/zinc/59/53/93/554595393.db2.gz DOQGBHGJJVOGBW-UHFFFAOYSA-N 1 0 354.458 2.313 50 0 FEAARO Cc1ccc(CC2(O)CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000375360575 558015456 /nfs/dbraw/zinc/01/54/56/558015456.db2.gz ITLDPHOKGUJBCC-GOSISDBHSA-N 1 0 351.512 2.189 50 0 FEAARO CC1(C)CC(NC(=O)c2c3c(sc2-n2cnnn2)CCC3)CC(C)(C)[NH2+]1 ZINC000524733403 562233388 /nfs/dbraw/zinc/23/33/88/562233388.db2.gz OPGGIEQZXXXXBZ-UHFFFAOYSA-N 1 0 374.514 2.252 50 0 FEAARO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000426503953 559736032 /nfs/dbraw/zinc/73/60/32/559736032.db2.gz GJIJOJCWKICVTL-OAQYLSRUSA-N 1 0 364.449 2.369 50 0 FEAARO Cc1ncsc1CCCNC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000426534063 559737072 /nfs/dbraw/zinc/73/70/72/559737072.db2.gz NQWVRBXQRPZNOC-UHFFFAOYSA-N 1 0 351.516 2.391 50 0 FEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ncc(F)c(NC)n3)cc2)C1 ZINC000426571824 559738145 /nfs/dbraw/zinc/73/81/45/559738145.db2.gz SGBMQNWUWOKGNG-AWEZNQCLSA-N 1 0 371.460 2.208 50 0 FEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCC(c2ccncc2)CC1 ZINC000426635549 559739308 /nfs/dbraw/zinc/73/93/08/559739308.db2.gz TYVJFNIMJJJPCW-SFHVURJKSA-N 1 0 353.470 2.151 50 0 FEAARO Cc1ccc(CN2CCN(C(=O)NCC[NH+]3CCCCC3)CC2=O)cc1C ZINC000426661951 559739700 /nfs/dbraw/zinc/73/97/00/559739700.db2.gz DVFBYGHZMWPXOH-UHFFFAOYSA-N 1 0 372.513 2.143 50 0 FEAARO COc1cccnc1-c1cccc(C(=O)NC[C@H]2COCC[N@H+](C)C2)c1 ZINC000426667660 559739879 /nfs/dbraw/zinc/73/98/79/559739879.db2.gz UUJDBDUJKUWLSS-OAHLLOKOSA-N 1 0 355.438 2.065 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000426674238 559740013 /nfs/dbraw/zinc/74/00/13/559740013.db2.gz OLUJETZGBXAVOW-MRXNPFEDSA-N 1 0 361.515 2.088 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)NCCCn2ccc3ccccc32)C1 ZINC000426712261 559740923 /nfs/dbraw/zinc/74/09/23/559740923.db2.gz XUXIEUGPEDOZDC-KRWDZBQOSA-N 1 0 358.486 2.251 50 0 FEAARO Cc1ccc(-c2ccc(C(=O)N3CCOC[C@@H](C[NH+](C)C)C3)cc2)nn1 ZINC000426724051 559740977 /nfs/dbraw/zinc/74/09/77/559740977.db2.gz VTZGVDUQWKXIDW-INIZCTEOSA-N 1 0 354.454 2.102 50 0 FEAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CC[C@](O)(c2ccccc2)C1 ZINC000426737364 559741209 /nfs/dbraw/zinc/74/12/09/559741209.db2.gz IETKPTAHNFEGIE-LJQANCHMSA-N 1 0 360.841 2.411 50 0 FEAARO CCCOCCN1CCN(C(=O)c2cccc(-c3c[nH+]ccc3N)c2)CC1 ZINC000426740653 559741245 /nfs/dbraw/zinc/74/12/45/559741245.db2.gz XHOLIXOOBLCTBV-UHFFFAOYSA-N 1 0 368.481 2.346 50 0 FEAARO CCC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000534579720 562537137 /nfs/dbraw/zinc/53/71/37/562537137.db2.gz IYRQMCYLPRUXIQ-LJQANCHMSA-N 1 0 374.529 2.397 50 0 FEAARO COc1ccc(Oc2ccc(C(=O)NC[C@@]3(O)CCC[NH2+]C3)cc2)cc1 ZINC000534644764 562539238 /nfs/dbraw/zinc/53/92/38/562539238.db2.gz RNGUBJNCSMSXMF-HXUWFJFHSA-N 1 0 356.422 2.332 50 0 FEAARO Cc1cc(C)n2ncc(C[NH+]3CCC([C@H](O)c4nccn4C)CC3)c2n1 ZINC000215995967 568099691 /nfs/dbraw/zinc/09/96/91/568099691.db2.gz GXXNFSVXAWOKEG-KRWDZBQOSA-N 1 0 354.458 2.025 50 0 FEAARO Cc1ccc(SCCN(C)C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000584903063 570509950 /nfs/dbraw/zinc/50/99/50/570509950.db2.gz XHJQQJXLPOWKMM-KRWDZBQOSA-N 1 0 364.559 2.364 50 0 FEAARO O=C([C@H]1CCCO1)N1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000584901637 570510686 /nfs/dbraw/zinc/51/06/86/570510686.db2.gz TZFBRYZIFSXUQT-GOSISDBHSA-N 1 0 360.454 2.108 50 0 FEAARO O=C(CC1(n2cccc2)CCOCC1)N1CCN(Cc2cccnc2)CC1 ZINC000409414490 570588625 /nfs/dbraw/zinc/58/86/25/570588625.db2.gz SMMWZUDJKWQQMP-UHFFFAOYSA-N 1 0 368.481 2.123 50 0 FEAARO C[NH+](C)CC[C@@H](N)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000653090088 570614332 /nfs/dbraw/zinc/61/43/32/570614332.db2.gz DWBKQYHSWZACSU-CQSZACIVSA-N 1 0 355.364 2.109 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000107362910 570896717 /nfs/dbraw/zinc/89/67/17/570896717.db2.gz QLGHUPGMYUCMOM-WOJBJXKFSA-N 1 0 371.525 2.314 50 0 FEAARO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)N1CCCCCC1 ZINC000048263704 570938926 /nfs/dbraw/zinc/93/89/26/570938926.db2.gz YYSMDDPQRRUUFS-UHFFFAOYSA-N 1 0 357.495 2.310 50 0 FEAARO CC(C)C(=O)N1CCN(C(=O)[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000048309339 570943455 /nfs/dbraw/zinc/94/34/55/570943455.db2.gz VDDUFZGQSUGINY-FQEVSTJZSA-N 1 0 371.525 2.396 50 0 FEAARO COc1ccc(/C=C/C(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1OC ZINC000575615642 571169241 /nfs/dbraw/zinc/16/92/41/571169241.db2.gz GQLBLEPRZGUYJV-JXTAAOLFSA-N 1 0 374.481 2.334 50 0 FEAARO C[C@H](CCn1cccn1)NC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426382915 571217652 /nfs/dbraw/zinc/21/76/52/571217652.db2.gz LENWZANATYNSPS-QGZVFWFLSA-N 1 0 367.497 2.156 50 0 FEAARO Cc1nc(CCNC(=O)c2cc(Cl)ccc2OCC[NH3+])nc2c1CCC2 ZINC000426394768 571219134 /nfs/dbraw/zinc/21/91/34/571219134.db2.gz YIIPHFZOZZWFTJ-UHFFFAOYSA-N 1 0 374.872 2.237 50 0 FEAARO O=C(Nc1cnn(Cc2ccccc2F)c1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000426471673 571226960 /nfs/dbraw/zinc/22/69/60/571226960.db2.gz SNUAODLUAJPOAJ-ROUUACIJSA-N 1 0 373.432 2.055 50 0 FEAARO CN(C)c1ccc(-c2ccc(C(=O)NC[C@]3(O)CCC[NH2+]C3)cc2)cc1 ZINC000426478033 571227373 /nfs/dbraw/zinc/22/73/73/571227373.db2.gz PGUSOROEOMAGKN-NRFANRHFSA-N 1 0 353.466 2.264 50 0 FEAARO CNC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820201 571292873 /nfs/dbraw/zinc/29/28/73/571292873.db2.gz XVINWGZGDGMQSU-IBGZPJMESA-N 1 0 372.513 2.162 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@H](C)c3nc(C)c[nH]3)cc2C1 ZINC000584891386 571314637 /nfs/dbraw/zinc/31/46/37/571314637.db2.gz LIPXWGUEKOUDRD-CQSZACIVSA-N 1 0 359.478 2.091 50 0 FEAARO O=C(c1ccccc1-c1nc[nH]n1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000670442270 571349572 /nfs/dbraw/zinc/34/95/72/571349572.db2.gz GBXWZEGLZVWBIS-INIZCTEOSA-N 1 0 369.469 2.189 50 0 FEAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)C3(c4ccccc4F)CC3)C2)CC1 ZINC000670461988 571357078 /nfs/dbraw/zinc/35/70/78/571357078.db2.gz KKYOSBDCWFFCDG-KRWDZBQOSA-N 1 0 359.489 2.343 50 0 FEAARO Cc1c(C(=O)N(C)CC(C)C)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000015072238 670010093 /nfs/dbraw/zinc/01/00/93/670010093.db2.gz BDAMVQLOOOYALM-UHFFFAOYSA-N 1 0 361.515 2.480 50 0 FEAARO [NH3+]Cc1cn(C2CCN(Cc3ccccc3OC(F)(F)F)CC2)nn1 ZINC000023251657 670047122 /nfs/dbraw/zinc/04/71/22/670047122.db2.gz IFJRNNJVKVJRKG-UHFFFAOYSA-N 1 0 355.364 2.473 50 0 FEAARO O=C(NCCc1c(F)cccc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000083182849 670656389 /nfs/dbraw/zinc/65/63/89/670656389.db2.gz BDOCJYLMIMCSKM-UHFFFAOYSA-N 1 0 353.413 2.014 50 0 FEAARO COC[C@H]1CN(C(=O)Cc2ccc(OC)c(Cl)c2)CC12CC[NH2+]CC2 ZINC000169783607 672322114 /nfs/dbraw/zinc/32/21/14/672322114.db2.gz ZCUKHVCSUFLDFP-OAHLLOKOSA-N 1 0 366.889 2.366 50 0 FEAARO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(C(=O)CC1=CCCCC1)CC2 ZINC000169792951 672322708 /nfs/dbraw/zinc/32/27/08/672322708.db2.gz MEAVBYKADICKOC-SFHVURJKSA-N 1 0 350.503 2.056 50 0 FEAARO COCC[N@@H+]1C[C@@H](CO)C2(C1)CCN(Cc1cc(F)ccc1F)CC2 ZINC000169789539 672322720 /nfs/dbraw/zinc/32/27/20/672322720.db2.gz UBTFXEHOEKMLHP-INIZCTEOSA-N 1 0 354.441 2.118 50 0 FEAARO O=C(CCCN1CCCCC1=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000952970927 681793331 /nfs/dbraw/zinc/79/33/31/681793331.db2.gz WOGQHPMKHJAKOD-UHFFFAOYSA-N 1 0 367.559 2.255 50 0 FEAARO O=c1[nH]c(CN2CC[NH+](C[C@H]3CCCO3)CC2)nc2cc(Cl)ccc12 ZINC000096791934 210241173 /nfs/dbraw/zinc/24/11/73/210241173.db2.gz ZJDUUYTYPFOITG-CQSZACIVSA-N 1 0 362.861 2.285 50 0 FEAARO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)/C=C\c2ccc3c(c2)OCO3)C[C@H](C)O1 ZINC000096794648 210240887 /nfs/dbraw/zinc/24/08/87/210240887.db2.gz NIOYWSHRRLPNOE-JKUMZLIPSA-N 1 0 360.454 2.433 50 0 FEAARO Cc1nc2sc3c(c2c2nc(C(=O)NCC[NH+](C)C)nn21)[C@H](C)CCC3 ZINC000002208465 539345442 /nfs/dbraw/zinc/34/54/42/539345442.db2.gz DVJMJYPDURGUCX-SNVBAGLBSA-N 1 0 372.498 2.379 50 0 FEAARO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000002633044 539350049 /nfs/dbraw/zinc/35/00/49/539350049.db2.gz RVVFEISEXJUCPQ-KBXCAEBGSA-N 1 0 365.433 2.090 50 0 FEAARO CN(CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000003178782 539359527 /nfs/dbraw/zinc/35/95/27/539359527.db2.gz UNNSFYHJUJHHKT-UHFFFAOYSA-N 1 0 373.950 2.423 50 0 FEAARO C[NH+](C)CCN(C(=O)C1=COCCO1)c1nc2ccc(F)cc2s1 ZINC000004359175 539383498 /nfs/dbraw/zinc/38/34/98/539383498.db2.gz FDZYGBOTBWZWMD-UHFFFAOYSA-N 1 0 351.403 2.218 50 0 FEAARO CN1CCO[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000105471857 210137133 /nfs/dbraw/zinc/13/71/33/210137133.db2.gz HQXTWKSMKCAPQP-FQEVSTJZSA-N 1 0 363.465 2.355 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(OCC)cc2)C1 ZINC000007015291 539445104 /nfs/dbraw/zinc/44/51/04/539445104.db2.gz UWOQFBPMANMXKP-JKSUJKDBSA-N 1 0 351.443 2.100 50 0 FEAARO Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)ccc1NS(C)(=O)=O ZINC000010112536 539512379 /nfs/dbraw/zinc/51/23/79/539512379.db2.gz USCBBWZSKJNGOD-UHFFFAOYSA-N 1 0 367.515 2.218 50 0 FEAARO O=C(NCc1cc2ccccc2[nH]1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011662933 539531538 /nfs/dbraw/zinc/53/15/38/539531538.db2.gz RPGKXHRCDZIYLA-UHFFFAOYSA-N 1 0 352.442 2.175 50 0 FEAARO O=C(N1CCc2n[nH]cc2C1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000011818934 539536452 /nfs/dbraw/zinc/53/64/52/539536452.db2.gz GQOPXUJZARSYKU-UHFFFAOYSA-N 1 0 350.466 2.318 50 0 FEAARO Cc1nonc1CC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012058697 539542268 /nfs/dbraw/zinc/54/22/68/539542268.db2.gz LZICSXBMPUAJDU-INIZCTEOSA-N 1 0 374.460 2.473 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2sccc2Br)C1 ZINC000042524599 210046633 /nfs/dbraw/zinc/04/66/33/210046633.db2.gz GFRPRIHLCCFBIN-SECBINFHSA-N 1 0 353.307 2.131 50 0 FEAARO COc1cccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1 ZINC000012630167 539569003 /nfs/dbraw/zinc/56/90/03/539569003.db2.gz LEXSNYWOKNVSQO-QGZVFWFLSA-N 1 0 365.393 2.303 50 0 FEAARO CCc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000012747053 539571792 /nfs/dbraw/zinc/57/17/92/539571792.db2.gz BZTZBFHSABBERS-UHFFFAOYSA-N 1 0 354.454 2.413 50 0 FEAARO COCC1CC[NH+](C[C@@]2(O)CCCN(Cc3cccc(C)c3)C2=O)CC1 ZINC000012758187 539572585 /nfs/dbraw/zinc/57/25/85/539572585.db2.gz VKKDWSGZRFGSOY-NRFANRHFSA-N 1 0 360.498 2.207 50 0 FEAARO Cc1nc(N(C)C)ncc1C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299764258 210012665 /nfs/dbraw/zinc/01/26/65/210012665.db2.gz YWQMXMXMFPABEQ-GOSISDBHSA-N 1 0 367.497 2.493 50 0 FEAARO Cc1nc(N(C)C)ncc1C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299764261 210012748 /nfs/dbraw/zinc/01/27/48/210012748.db2.gz YWQMXMXMFPABEQ-SFHVURJKSA-N 1 0 367.497 2.493 50 0 FEAARO [NH3+]CCCOc1ccc(C(=O)NCc2ncc(Cl)cn2)cc1Cl ZINC000299764093 210012325 /nfs/dbraw/zinc/01/23/25/210012325.db2.gz RYGSRVUDEZBDBW-UHFFFAOYSA-N 1 0 355.225 2.441 50 0 FEAARO CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000299760040 210010991 /nfs/dbraw/zinc/01/09/91/210010991.db2.gz UHNLRIVDFLKJTA-GOSISDBHSA-N 1 0 357.498 2.314 50 0 FEAARO [NH2+]=C(NO)[C@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1 ZINC000014808434 539605681 /nfs/dbraw/zinc/60/56/81/539605681.db2.gz IDYZUBHGSVWMGH-CQSZACIVSA-N 1 0 367.814 2.252 50 0 FEAARO CC(=O)c1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020419149 539674096 /nfs/dbraw/zinc/67/40/96/539674096.db2.gz DVSBHWPFHYEXJP-HXUWFJFHSA-N 1 0 368.477 2.447 50 0 FEAARO COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000021794979 539687201 /nfs/dbraw/zinc/68/72/01/539687201.db2.gz HHOSBPMNNFKLSZ-UHFFFAOYSA-N 1 0 370.457 2.214 50 0 FEAARO C[NH+]1CCN(c2cnn(Cc3c(F)cccc3C(F)(F)F)c(=O)c2)CC1 ZINC000020916037 539678288 /nfs/dbraw/zinc/67/82/88/539678288.db2.gz MDEPYNLTWORADP-UHFFFAOYSA-N 1 0 370.350 2.201 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(NCCc3cccs3)n2)CC1 ZINC000021930263 539689569 /nfs/dbraw/zinc/68/95/69/539689569.db2.gz JFKNBBAPIXYTMS-UHFFFAOYSA-N 1 0 371.514 2.221 50 0 FEAARO COC(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023133673 539706863 /nfs/dbraw/zinc/70/68/63/539706863.db2.gz BHXWDDLDHKMSRD-UHFFFAOYSA-N 1 0 353.422 2.477 50 0 FEAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025413264 539759788 /nfs/dbraw/zinc/75/97/88/539759788.db2.gz CBIYNIISAKDDAK-FGTMMUONSA-N 1 0 359.514 2.265 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 ZINC000032610881 539944872 /nfs/dbraw/zinc/94/48/72/539944872.db2.gz IVCJYBITCJQTSI-UHFFFAOYSA-N 1 0 366.897 2.317 50 0 FEAARO COc1nc(N)nc2sc(C(=O)NCCC[NH+]3CCCCCC3)cc21 ZINC000032753137 539951027 /nfs/dbraw/zinc/95/10/27/539951027.db2.gz OSXJALCSIFETKB-UHFFFAOYSA-N 1 0 363.487 2.278 50 0 FEAARO CCCn1c2ccccc2nc1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000034906610 539978371 /nfs/dbraw/zinc/97/83/71/539978371.db2.gz FBIIVLWIHLLNAI-UHFFFAOYSA-N 1 0 357.502 2.341 50 0 FEAARO CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NCc1ccco1 ZINC000035485442 539982466 /nfs/dbraw/zinc/98/24/66/539982466.db2.gz CWQLKWUYLMVUJI-JVPBZIDWSA-N 1 0 369.465 2.141 50 0 FEAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COCC(C)C ZINC000036097124 539986868 /nfs/dbraw/zinc/98/68/68/539986868.db2.gz AQTINUZIFHWHSV-KRWDZBQOSA-N 1 0 355.475 2.186 50 0 FEAARO COc1ccc(N2CN(CCC[NH+](C)C)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000036125670 539987424 /nfs/dbraw/zinc/98/74/24/539987424.db2.gz WSFWIPPPSDINHZ-UHFFFAOYSA-N 1 0 371.485 2.189 50 0 FEAARO COc1cccc(N2C[C@H](C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)CC2=O)c1 ZINC000036390357 539990398 /nfs/dbraw/zinc/99/03/98/539990398.db2.gz YEDRDEYZDJTZDM-DLBZAZTESA-N 1 0 373.497 2.286 50 0 FEAARO C[NH+](C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000038261223 539998486 /nfs/dbraw/zinc/99/84/86/539998486.db2.gz NUMDEYQLSDIROG-QGZVFWFLSA-N 1 0 374.485 2.282 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073663 540005084 /nfs/dbraw/zinc/00/50/84/540005084.db2.gz IOBVDEHCOMJVHP-IRXDYDNUSA-N 1 0 361.486 2.427 50 0 FEAARO Cc1cc(=O)c(C(=O)NCC[NH+]2CCC(C)CC2)nn1-c1ccccc1 ZINC000040108069 540006432 /nfs/dbraw/zinc/00/64/32/540006432.db2.gz AQBHUKOHYOENKW-UHFFFAOYSA-N 1 0 354.454 2.003 50 0 FEAARO Cc1nnnn1-c1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000040105031 540006336 /nfs/dbraw/zinc/00/63/36/540006336.db2.gz ZRVHXOXGWYKIGY-INIZCTEOSA-N 1 0 371.470 2.457 50 0 FEAARO Cc1ccccc1C(=O)Nc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000040355439 540009314 /nfs/dbraw/zinc/00/93/14/540009314.db2.gz LMXQICQLHQNWRE-CYBMUJFWSA-N 1 0 358.467 2.480 50 0 FEAARO C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccccc3F)n2)CC1 ZINC000040356031 540009966 /nfs/dbraw/zinc/00/99/66/540009966.db2.gz OSWFGJSCMKVHOX-UHFFFAOYSA-N 1 0 362.430 2.359 50 0 FEAARO COc1cccc(C[NH2+]CCCO)c1OCC(=O)Nc1ccc(C)cc1 ZINC000040743768 540011318 /nfs/dbraw/zinc/01/13/18/540011318.db2.gz OHQZHBHCQPQDMT-UHFFFAOYSA-N 1 0 358.438 2.493 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)C1 ZINC000237956597 222912667 /nfs/dbraw/zinc/91/26/67/222912667.db2.gz RMQKOFHYIWZKTM-NWANDNLSSA-N 1 0 353.260 2.476 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000237357850 222906845 /nfs/dbraw/zinc/90/68/45/222906845.db2.gz HYCAJEMXDZAKIE-UHFFFAOYSA-N 1 0 365.268 2.208 50 0 FEAARO C[C@H]1CN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC[C@H]1c1ccccc1 ZINC000237581225 222908608 /nfs/dbraw/zinc/90/86/08/222908608.db2.gz DTNVPEAYZBLOJX-MAUKXSAKSA-N 1 0 353.470 2.468 50 0 FEAARO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000044556274 540130670 /nfs/dbraw/zinc/13/06/70/540130670.db2.gz SVZIXDSOXWILDU-SNVBAGLBSA-N 1 0 351.241 2.090 50 0 FEAARO O=C(CCN(Cc1ccc(F)cc1)C(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000045966718 540236084 /nfs/dbraw/zinc/23/60/84/540236084.db2.gz WFGIQACRQZLVQE-UHFFFAOYSA-N 1 0 369.440 2.290 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)NC2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000051044425 540419941 /nfs/dbraw/zinc/41/99/41/540419941.db2.gz NQXAXYCDIOKMLE-MRXNPFEDSA-N 1 0 355.482 2.173 50 0 FEAARO COc1ccccc1/C=C/C[NH+]1CCC(Cc2nnc(CO)n2C)CC1 ZINC000055090725 540627287 /nfs/dbraw/zinc/62/72/87/540627287.db2.gz NNINAEJLJQNHEK-FNORWQNLSA-N 1 0 356.470 2.284 50 0 FEAARO CCC(=O)c1ccc(OCC(=O)N(CCOC)C2CC[NH+](C)CC2)cc1 ZINC000055370623 540649341 /nfs/dbraw/zinc/64/93/41/540649341.db2.gz POQCJMGLVKODNX-UHFFFAOYSA-N 1 0 362.470 2.227 50 0 FEAARO C[C@@H](C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12)Oc1cccnc1 ZINC000055393136 540650603 /nfs/dbraw/zinc/65/06/03/540650603.db2.gz JIIBTCANHPPLNA-HNNXBMFYSA-N 1 0 352.438 2.469 50 0 FEAARO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000055505160 540656226 /nfs/dbraw/zinc/65/62/26/540656226.db2.gz QPZADWIOYPXCHT-IBGZPJMESA-N 1 0 358.482 2.495 50 0 FEAARO Cc1noc(CCCC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC000057055740 540765238 /nfs/dbraw/zinc/76/52/38/540765238.db2.gz DVAAWJSMRJYPQR-UHFFFAOYSA-N 1 0 357.458 2.087 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCc2nc(-c3cccnc3)no2)C1 ZINC000058209967 540833259 /nfs/dbraw/zinc/83/32/59/540833259.db2.gz YOTJHRZQFFLCJN-OAHLLOKOSA-N 1 0 357.458 2.301 50 0 FEAARO O=C([O-])[C@@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000072126603 541784428 /nfs/dbraw/zinc/78/44/28/541784428.db2.gz CZUMCIQVWQGRSU-INIZCTEOSA-N 1 0 358.417 2.245 50 0 FEAARO Cc1cc(N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)nc(N(C)C)[nH+]1 ZINC000072142932 541787048 /nfs/dbraw/zinc/78/70/48/541787048.db2.gz WPYRGHJXSGPTIW-INIZCTEOSA-N 1 0 357.433 2.246 50 0 FEAARO O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000072158142 541791345 /nfs/dbraw/zinc/79/13/45/541791345.db2.gz HXSHHDVCKHBICW-GOSISDBHSA-N 1 0 369.509 2.456 50 0 FEAARO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)o2)n1C ZINC000072157282 541791629 /nfs/dbraw/zinc/79/16/29/541791629.db2.gz BKIXDITVMRGSAV-KRWDZBQOSA-N 1 0 373.501 2.460 50 0 FEAARO COc1cccc(SCC(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072169175 541794786 /nfs/dbraw/zinc/79/47/86/541794786.db2.gz UPHORYIDMBQJER-MRXNPFEDSA-N 1 0 364.511 2.235 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cn(CC3CCCCC3)nn1)CC[NH2+]C2 ZINC000072168966 541795223 /nfs/dbraw/zinc/79/52/23/541795223.db2.gz JNNRIEKPDKZZPF-UHFFFAOYSA-N 1 0 368.485 2.138 50 0 FEAARO Cn1ncc2c1nc(CCc1ccccc1)nc2N1CCC[N@H+](C)CC1 ZINC000072169428 541795126 /nfs/dbraw/zinc/79/51/26/541795126.db2.gz BCWPMKLBGAOIJS-UHFFFAOYSA-N 1 0 350.470 2.290 50 0 FEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000072309888 541798951 /nfs/dbraw/zinc/79/89/51/541798951.db2.gz QXPNKHQYBVDZCK-INIZCTEOSA-N 1 0 367.515 2.427 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1ccccc1-n1cccn1 ZINC000072409305 541806468 /nfs/dbraw/zinc/80/64/68/541806468.db2.gz QTAUVXFZCNGHFF-UHFFFAOYSA-N 1 0 350.426 2.133 50 0 FEAARO CC(C)(O)CCc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000072412189 541807591 /nfs/dbraw/zinc/80/75/91/541807591.db2.gz PZBJYZRKAAGDQJ-UHFFFAOYSA-N 1 0 360.498 2.327 50 0 FEAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c12 ZINC000072430936 541812715 /nfs/dbraw/zinc/81/27/15/541812715.db2.gz ZOQRYDNWPCHDDZ-LSDHHAIUSA-N 1 0 363.469 2.407 50 0 FEAARO CCCS(=O)(=O)Nc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000012824622 220035072 /nfs/dbraw/zinc/03/50/72/220035072.db2.gz JNQPLCFIPRSSPI-UHFFFAOYSA-N 1 0 367.515 2.441 50 0 FEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(F)cc(Br)c1 ZINC000058393312 212007585 /nfs/dbraw/zinc/00/75/85/212007585.db2.gz FBMPDFSKWVUAEU-ZIAGYGMSSA-N 1 0 357.223 2.181 50 0 FEAARO CN(c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1)S(C)(=O)=O ZINC000013672687 220082649 /nfs/dbraw/zinc/08/26/49/220082649.db2.gz FQYZODDWLMAEGV-UHFFFAOYSA-N 1 0 367.515 2.078 50 0 FEAARO Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1NS(C)(=O)=O ZINC000032238883 211545568 /nfs/dbraw/zinc/54/55/68/211545568.db2.gz KAHKPEVOVMKJQD-UHFFFAOYSA-N 1 0 355.504 2.215 50 0 FEAARO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000075110577 542153515 /nfs/dbraw/zinc/15/35/15/542153515.db2.gz OTTVTPTZBQKGSH-QGZVFWFLSA-N 1 0 362.401 2.053 50 0 FEAARO O[C@H](COCc1ccc(Cl)cc1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022038571 211334321 /nfs/dbraw/zinc/33/43/21/211334321.db2.gz SVHIHORYHJCBMG-RBUKOAKNSA-N 1 0 368.905 2.014 50 0 FEAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccncc3F)CC2)[C@H]1O ZINC000020601740 211289937 /nfs/dbraw/zinc/28/99/37/211289937.db2.gz YNHQFWXUAYIXSV-MOPGFXCFSA-N 1 0 369.440 2.372 50 0 FEAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)ccc2c1 ZINC000019221124 211206277 /nfs/dbraw/zinc/20/62/77/211206277.db2.gz PGIVHRAKVQWMFE-FQEVSTJZSA-N 1 0 368.481 2.490 50 0 FEAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000019221120 211205435 /nfs/dbraw/zinc/20/54/35/211205435.db2.gz PGIVHRAKVQWMFE-HXUWFJFHSA-N 1 0 368.481 2.490 50 0 FEAARO CC(C)Cn1c2cc(F)ccc2cc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1=O ZINC000014978186 211111299 /nfs/dbraw/zinc/11/12/99/211111299.db2.gz YANNUMICHUGCJT-INIZCTEOSA-N 1 0 366.458 2.073 50 0 FEAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000014978583 211111395 /nfs/dbraw/zinc/11/13/95/211111395.db2.gz LYNJVJRBXXQNIY-JOCHJYFZSA-N 1 0 369.509 2.432 50 0 FEAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014537447 211093971 /nfs/dbraw/zinc/09/39/71/211093971.db2.gz CIBOSISMLSKNIK-KRWDZBQOSA-N 1 0 373.522 2.463 50 0 FEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([N@H+](C)CCOC)CC2 ZINC000014741619 211100336 /nfs/dbraw/zinc/10/03/36/211100336.db2.gz KENCXAYGTYYCLF-INIZCTEOSA-N 1 0 362.518 2.259 50 0 FEAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717741 211051647 /nfs/dbraw/zinc/05/16/47/211051647.db2.gz XDHONWRFPDKNIS-UHFFFAOYSA-N 1 0 369.425 2.324 50 0 FEAARO Cc1nc[nH]c1C[NH+]1CCC(c2nnc(CN3CCCCC3)n2C)CC1 ZINC000077341479 542369201 /nfs/dbraw/zinc/36/92/01/542369201.db2.gz ANPISYVGWDOOGW-UHFFFAOYSA-N 1 0 357.506 2.212 50 0 FEAARO c1ccc(-c2ncc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)cn2)nc1 ZINC000077522578 542392351 /nfs/dbraw/zinc/39/23/51/542392351.db2.gz OVTXPXZNXZVDMH-GOSISDBHSA-N 1 0 353.470 2.225 50 0 FEAARO CC(=O)N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)CC1 ZINC000020755680 220340955 /nfs/dbraw/zinc/34/09/55/220340955.db2.gz UYSXNCFZCCQNEU-SHJAMOMRSA-N 1 0 358.482 2.385 50 0 FEAARO COc1cccc(CC(=O)N2CCCC[C@H]2CC[NH+]2CCN(C)CC2)c1 ZINC000065288761 221196073 /nfs/dbraw/zinc/19/60/73/221196073.db2.gz FSVREMZFGGZSMG-IBGZPJMESA-N 1 0 359.514 2.256 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccccc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000065364522 221203179 /nfs/dbraw/zinc/20/31/79/221203179.db2.gz SELYBDFKVDAIDN-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO CN(CCn1ccc2ccccc21)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065384371 221207881 /nfs/dbraw/zinc/20/78/81/221207881.db2.gz OEFQQMUPPOPYOB-MRXNPFEDSA-N 1 0 366.469 2.005 50 0 FEAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1cn2ncsc2n1 ZINC000065394879 221209991 /nfs/dbraw/zinc/20/99/91/221209991.db2.gz HDKJEGQHPXRYLX-GFCCVEGCSA-N 1 0 359.455 2.473 50 0 FEAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(N3Cc4ccccc4C3)c2)C[C@H]1CO ZINC000065420233 221217531 /nfs/dbraw/zinc/21/75/31/221217531.db2.gz NEYQFVXAMTVFEH-QUCCMNQESA-N 1 0 351.450 2.002 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1 ZINC000065493791 221226178 /nfs/dbraw/zinc/22/61/78/221226178.db2.gz DCOMEBLMVCUXSM-SFHVURJKSA-N 1 0 367.497 2.065 50 0 FEAARO O=C(NC1(CO)CCCC1)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065508032 221228342 /nfs/dbraw/zinc/22/83/42/221228342.db2.gz FWNFGWMKGRCRKD-UHFFFAOYSA-N 1 0 369.465 2.157 50 0 FEAARO O=C(C1CC1)N1CCC(N2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC000067490203 221257024 /nfs/dbraw/zinc/25/70/24/221257024.db2.gz IMWCYVUNKZFGSW-UHFFFAOYSA-N 1 0 353.510 2.172 50 0 FEAARO CCc1c(C)nn(CC[NH2+]C[C@@]2(O)CCCN(CC(C)(C)C)C2=O)c1C ZINC000067490163 221257424 /nfs/dbraw/zinc/25/74/24/221257424.db2.gz VOPXEMQBKXAJMV-FQEVSTJZSA-N 1 0 364.534 2.052 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3sc(C)nc3C)CC2)n1 ZINC000067630171 221263638 /nfs/dbraw/zinc/26/36/38/221263638.db2.gz MKJDHHOEXDPIHA-UHFFFAOYSA-N 1 0 360.487 2.253 50 0 FEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C13C[C@H]4C[C@@H](C1)CC(n1cncn1)(C4)C3)C2 ZINC000067724616 221276556 /nfs/dbraw/zinc/27/65/56/221276556.db2.gz YSWUWAKREZLYMN-VBBMSDFBSA-N 1 0 369.513 2.269 50 0 FEAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[C@@H](C[NH3+])C3)nc2)cc1 ZINC000067678814 221270129 /nfs/dbraw/zinc/27/01/29/221270129.db2.gz NWFGYMZJFIPLIN-KRWDZBQOSA-N 1 0 368.481 2.238 50 0 FEAARO Cc1sc2nc(CCNC(=O)C[NH+]3CCCCCC3)[nH]c(=O)c2c1C ZINC000067688965 221270674 /nfs/dbraw/zinc/27/06/74/221270674.db2.gz JWZGZHCTHCONDO-UHFFFAOYSA-N 1 0 362.499 2.136 50 0 FEAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000067805489 221288662 /nfs/dbraw/zinc/28/86/62/221288662.db2.gz QJIMQXQBUFONJT-OALUTQOASA-N 1 0 365.477 2.271 50 0 FEAARO O=C(CCSc1nnc(-c2ccncc2)o1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067820597 221289867 /nfs/dbraw/zinc/28/98/67/221289867.db2.gz WREVPFFDVONHMP-GOSISDBHSA-N 1 0 373.482 2.216 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1 ZINC000067756846 221281328 /nfs/dbraw/zinc/28/13/28/221281328.db2.gz QVCYSPSRZQPTLZ-HNNXBMFYSA-N 1 0 372.473 2.414 50 0 FEAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(-c2cccc(OC)c2)c1 ZINC000067803667 221286856 /nfs/dbraw/zinc/28/68/56/221286856.db2.gz IFRDMGOQESAYOM-MJGOQNOKSA-N 1 0 367.449 2.040 50 0 FEAARO Cc1ccc(CN2C(=O)N[C@](c3ccccn3)(C3CC[NH2+]CC3)C2=O)cc1 ZINC000067834107 221291492 /nfs/dbraw/zinc/29/14/92/221291492.db2.gz YRVXCUYGPUFHHH-NRFANRHFSA-N 1 0 364.449 2.337 50 0 FEAARO NC(=O)CCn1cc(C[NH2+]Cc2ccccc2-n2cncn2)c2ccccc21 ZINC000067981978 221312282 /nfs/dbraw/zinc/31/22/82/221312282.db2.gz JNQZIFCRNXUPEQ-UHFFFAOYSA-N 1 0 374.448 2.387 50 0 FEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000067920693 221305529 /nfs/dbraw/zinc/30/55/29/221305529.db2.gz FDTGAHUGVQKKNX-ACJLOTCBSA-N 1 0 368.481 2.113 50 0 FEAARO COC(=O)CN1CCC([NH2+]C2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000067974553 221310595 /nfs/dbraw/zinc/31/05/95/221310595.db2.gz YJNLMGMZOZWBRU-UHFFFAOYSA-N 1 0 359.514 2.499 50 0 FEAARO C[C@@H]1CCCN(S(=O)(=O)c2sccc2Br)[C@@H]1C[NH3+] ZINC000070177242 221331448 /nfs/dbraw/zinc/33/14/48/221331448.db2.gz JZNSPDVEFQMKHJ-PSASIEDQSA-N 1 0 353.307 2.259 50 0 FEAARO CCN(C)C(=O)C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071614407 221351869 /nfs/dbraw/zinc/35/18/69/221351869.db2.gz YXSSZDCVCWZNAE-GOSISDBHSA-N 1 0 363.477 2.363 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CCC[N@@H+]1CC1CC1 ZINC000071759893 221367071 /nfs/dbraw/zinc/36/70/71/221367071.db2.gz SBLGTQWXQMOVAQ-GOSISDBHSA-N 1 0 356.470 2.439 50 0 FEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(CC(F)F)CC2)C1 ZINC000071760331 221368649 /nfs/dbraw/zinc/36/86/49/221368649.db2.gz TZHFRHRQPHNXLU-OAHLLOKOSA-N 1 0 366.456 2.139 50 0 FEAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccnc(C(=O)NCc2cccnc2)c1 ZINC000071762692 221369744 /nfs/dbraw/zinc/36/97/44/221369744.db2.gz AGLFVFGVHYYAAP-AEFFLSMTSA-N 1 0 351.454 2.080 50 0 FEAARO CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 ZINC000071762369 221369815 /nfs/dbraw/zinc/36/98/15/221369815.db2.gz KBSHDPMMDXBGLC-INIZCTEOSA-N 1 0 368.485 2.007 50 0 FEAARO COCCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000071764398 221371780 /nfs/dbraw/zinc/37/17/80/221371780.db2.gz ZDUZSEXJAOEZRJ-UHFFFAOYSA-N 1 0 373.541 2.434 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1ccc(N2CCCCC2)cc1 ZINC000082107954 132195343 /nfs/dbraw/zinc/19/53/43/132195343.db2.gz MPTNCYNUSBYPST-UHFFFAOYSA-N 1 0 353.470 2.297 50 0 FEAARO O=C(C1CCCC1)N1CCC(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000095385940 132210205 /nfs/dbraw/zinc/21/02/05/132210205.db2.gz DTQMYYPEQMEYMK-UHFFFAOYSA-N 1 0 370.497 2.159 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000223559073 132279757 /nfs/dbraw/zinc/27/97/57/132279757.db2.gz MVIQSWNQJURCOQ-UHFFFAOYSA-N 1 0 358.877 2.244 50 0 FEAARO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000225401159 132284613 /nfs/dbraw/zinc/28/46/13/132284613.db2.gz YGEOPJBOVNSLMF-JKSUJKDBSA-N 1 0 359.470 2.133 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)C1 ZINC000229357727 132288282 /nfs/dbraw/zinc/28/82/82/132288282.db2.gz OEAPINJSWQRYRA-KSZLIROESA-N 1 0 374.529 2.405 50 0 FEAARO CC(=O)c1ccc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)nc1 ZINC000230197558 132289050 /nfs/dbraw/zinc/28/90/50/132289050.db2.gz ZVXVWQCHPYMEJW-OAQYLSRUSA-N 1 0 370.497 2.197 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCSCC3)nc2)C1 ZINC000011818199 132306047 /nfs/dbraw/zinc/30/60/47/132306047.db2.gz FTZYACHLNZSQQP-MRXNPFEDSA-N 1 0 362.543 2.343 50 0 FEAARO C[NH+](C)CCN(C(=O)CCN1c2ccccc2OCC1=O)c1ccccc1 ZINC000058023826 132376402 /nfs/dbraw/zinc/37/64/02/132376402.db2.gz AISRTTGXLUBBSF-UHFFFAOYSA-N 1 0 367.449 2.397 50 0 FEAARO CCN(CC[NH+](C)C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000091391024 542806210 /nfs/dbraw/zinc/80/62/10/542806210.db2.gz XMAZOKAHLMDTKN-UHFFFAOYSA-N 1 0 372.513 2.261 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1N1CCCC1)C2 ZINC000091493097 542810724 /nfs/dbraw/zinc/81/07/24/542810724.db2.gz BCBIKLVMLPZBCI-QZTJIDSGSA-N 1 0 357.498 2.470 50 0 FEAARO [NH3+][C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1)C1CC1 ZINC000091644356 542817856 /nfs/dbraw/zinc/81/78/56/542817856.db2.gz DRNKUMRIAHBHDI-IBGZPJMESA-N 1 0 355.482 2.155 50 0 FEAARO CC(C)c1nnc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)s1 ZINC000091713700 542821405 /nfs/dbraw/zinc/82/14/05/542821405.db2.gz JUTZCWJQXJJZFT-UHFFFAOYSA-N 1 0 365.547 2.432 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)nn1C)CC2 ZINC000091848900 542828188 /nfs/dbraw/zinc/82/81/88/542828188.db2.gz MNCKGZHAWQAYHS-UHFFFAOYSA-N 1 0 370.501 2.241 50 0 FEAARO O=C(c1c[nH]nc1C1CCCCC1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091876489 542829765 /nfs/dbraw/zinc/82/97/65/542829765.db2.gz ZYVDTSXNXMZGNA-IAGOWNOFSA-N 1 0 360.502 2.234 50 0 FEAARO COCCC[C@@]1(CO)CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000091915286 542832604 /nfs/dbraw/zinc/83/26/04/542832604.db2.gz LCYFWDIYRSDQIR-FQEVSTJZSA-N 1 0 352.519 2.279 50 0 FEAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)c1cccn1C1CC1)CC2 ZINC000092037728 542840322 /nfs/dbraw/zinc/84/03/22/542840322.db2.gz KVASCRAFJNPOIT-UHFFFAOYSA-N 1 0 372.513 2.229 50 0 FEAARO Cc1ccc(-c2noc(CN3CCN(c4cc(C)[nH+]c(N)n4)CC3)n2)cc1 ZINC000040071562 136119217 /nfs/dbraw/zinc/11/92/17/136119217.db2.gz AIRMHWOQFOBVEK-UHFFFAOYSA-N 1 0 365.441 2.048 50 0 FEAARO Cc1cc(N2CCN(Cc3nc(-c4ccccn4)no3)CC2)cc(C)[nH+]1 ZINC000055099183 136126049 /nfs/dbraw/zinc/12/60/49/136126049.db2.gz LNGPLBBKTRFQHP-UHFFFAOYSA-N 1 0 350.426 2.466 50 0 FEAARO C[NH+](C)CC(=O)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095370245 542961957 /nfs/dbraw/zinc/96/19/57/542961957.db2.gz FQMRKSJZGKXHDW-RMKNXTFCSA-N 1 0 355.482 2.103 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc(F)cc2F)CC1 ZINC000058195632 136130910 /nfs/dbraw/zinc/13/09/10/136130910.db2.gz XMLOQXHCEYPHLF-UHFFFAOYSA-N 1 0 361.396 2.433 50 0 FEAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCCN(c2ncccn2)CC1 ZINC000095368569 542962270 /nfs/dbraw/zinc/96/22/70/542962270.db2.gz KZPCQVJGXNHXGD-IBGZPJMESA-N 1 0 365.481 2.296 50 0 FEAARO Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c[nH]1 ZINC000095370940 542962808 /nfs/dbraw/zinc/96/28/08/542962808.db2.gz OSULPCMJMLIALQ-QZTJIDSGSA-N 1 0 351.450 2.420 50 0 FEAARO Cn1cncc1C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095372896 542962842 /nfs/dbraw/zinc/96/28/42/542962842.db2.gz TWRUJMPJGCRQLQ-IOMROCGXSA-N 1 0 366.465 2.211 50 0 FEAARO O=C(NCc1cccnc1N1CCOCC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000067690691 136137419 /nfs/dbraw/zinc/13/74/19/136137419.db2.gz AWVVLONSWKCNMQ-OAHLLOKOSA-N 1 0 372.494 2.334 50 0 FEAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nn1 ZINC000071749796 136140198 /nfs/dbraw/zinc/14/01/98/136140198.db2.gz IHCPTZFMYWUZAT-KRWDZBQOSA-N 1 0 357.502 2.088 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)CC[C@H]21 ZINC000072477932 136149578 /nfs/dbraw/zinc/14/95/78/136149578.db2.gz OTFCLZLNHDSVIX-GXTWGEPZSA-N 1 0 356.392 2.137 50 0 FEAARO Cn1c2ccc(C[NH2+]Cc3cc(=O)c4cccc(F)c4[nH]3)cc2n(C)c1=O ZINC000095360693 542959834 /nfs/dbraw/zinc/95/98/34/542959834.db2.gz MCEUFXYYZKFMOR-UHFFFAOYSA-N 1 0 366.396 2.147 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)NC[C@@H](c2ccncc2)N2CCOCC2)CC1 ZINC000095362416 542960112 /nfs/dbraw/zinc/96/01/12/542960112.db2.gz VGMIOYHZRJHKCA-FQEVSTJZSA-N 1 0 374.529 2.082 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)c3ncc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095388815 542966735 /nfs/dbraw/zinc/96/67/35/542966735.db2.gz FZRMZUJXPBTWIH-RCCFBDPRSA-N 1 0 352.438 2.121 50 0 FEAARO COCCn1cncc1C[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095499757 542974119 /nfs/dbraw/zinc/97/41/19/542974119.db2.gz HULKJTYNARNEOB-UHFFFAOYSA-N 1 0 355.442 2.429 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095504386 542975824 /nfs/dbraw/zinc/97/58/24/542975824.db2.gz SQVHDPZTRDGNJO-ZDUSSCGKSA-N 1 0 363.412 2.138 50 0 FEAARO COc1cc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)ccn1 ZINC000095504490 542975921 /nfs/dbraw/zinc/97/59/21/542975921.db2.gz ICUDOPDHTAAIDM-KRWDZBQOSA-N 1 0 371.485 2.258 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](CC)n1cccn1)CC2 ZINC000095531099 542982876 /nfs/dbraw/zinc/98/28/76/542982876.db2.gz LIZDBPXAYYKPRE-KRWDZBQOSA-N 1 0 370.501 2.343 50 0 FEAARO O=C1[C@@H](N2CC[NH+](CCc3ccccc3)CC2)CCCN1C1CCOCC1 ZINC000095999656 542986040 /nfs/dbraw/zinc/98/60/40/542986040.db2.gz XPAUWDSHSXKQRM-NRFANRHFSA-N 1 0 371.525 2.017 50 0 FEAARO CC1(C)CCCC[C@H]1[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000119774421 543671747 /nfs/dbraw/zinc/67/17/47/543671747.db2.gz UBHYDUWBMDNKCI-OAHLLOKOSA-N 1 0 363.487 2.124 50 0 FEAARO COc1cc(OC)cc(-n2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000091846177 221803449 /nfs/dbraw/zinc/80/34/49/221803449.db2.gz GVBIOPQHQATDGY-UHFFFAOYSA-N 1 0 354.414 2.073 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091691724 221783232 /nfs/dbraw/zinc/78/32/32/221783232.db2.gz BCXJNRVYDBBCSI-HZPDHXFCSA-N 1 0 368.424 2.454 50 0 FEAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000091907169 221812952 /nfs/dbraw/zinc/81/29/52/221812952.db2.gz XVLONPQNRUCWQJ-CABCVRRESA-N 1 0 372.387 2.036 50 0 FEAARO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000095408053 221900824 /nfs/dbraw/zinc/90/08/24/221900824.db2.gz QECIBAMOIHSKIB-LSDHHAIUSA-N 1 0 367.440 2.464 50 0 FEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1c[nH]c2nccc(Cl)c12 ZINC000095449632 221906321 /nfs/dbraw/zinc/90/63/21/221906321.db2.gz AFMFBUOFUXFWEA-UHFFFAOYSA-N 1 0 354.863 2.121 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)nn1CC)CC2 ZINC000095507623 221934613 /nfs/dbraw/zinc/93/46/13/221934613.db2.gz METWAJYNBLHBFB-UHFFFAOYSA-N 1 0 370.501 2.334 50 0 FEAARO O=C(NCC[NH+]1CCCC1)[C@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000096280894 222109840 /nfs/dbraw/zinc/10/98/40/222109840.db2.gz VXFVBZMKXCXHQS-OAHLLOKOSA-N 1 0 369.387 2.270 50 0 FEAARO [NH3+]Cc1cc(NC(=O)c2ccccn2)cc(-c2nc([C@H]3CCOC3)no2)c1 ZINC000096133500 222040325 /nfs/dbraw/zinc/04/03/25/222040325.db2.gz RTVNKNXVCBXTOI-ZDUSSCGKSA-N 1 0 365.393 2.347 50 0 FEAARO CCn1nc(CC2CC[NH+](C)CC2)nc1-c1ccc2c(c1)NC(=O)CN2 ZINC000096136595 222041401 /nfs/dbraw/zinc/04/14/01/222041401.db2.gz VLTLQLZXNGZNNB-UHFFFAOYSA-N 1 0 354.458 2.213 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000096151142 222053233 /nfs/dbraw/zinc/05/32/33/222053233.db2.gz GWZIWMFRYCUGJT-UHFFFAOYSA-N 1 0 353.426 2.233 50 0 FEAARO COC(=O)c1cccc(NC(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)c1 ZINC000096160719 222060091 /nfs/dbraw/zinc/06/00/91/222060091.db2.gz XGXRBTRHZARZBA-UHFFFAOYSA-N 1 0 374.485 2.155 50 0 FEAARO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(CC(C)C)s3)C[C@]2(C(=O)[O-])C1 ZINC000096162666 222062011 /nfs/dbraw/zinc/06/20/11/222062011.db2.gz KQZJRHVGDPHFTK-DNVCBOLYSA-N 1 0 366.527 2.411 50 0 FEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cnc2sccn2c1=O ZINC000096164087 222062620 /nfs/dbraw/zinc/06/26/20/222062620.db2.gz RNPXXCYGRQKYRW-CYBMUJFWSA-N 1 0 373.438 2.308 50 0 FEAARO COCc1cc(CNC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)[nH]n1 ZINC000096179616 222068097 /nfs/dbraw/zinc/06/80/97/222068097.db2.gz DFUQOGIQOCAZML-UHFFFAOYSA-N 1 0 373.457 2.351 50 0 FEAARO Cc1c[nH]c(CN2CCC3(CC2)CC[N@H+](Cc2cc(C)no2)C[C@H]3CO)n1 ZINC000097301230 222173749 /nfs/dbraw/zinc/17/37/49/222173749.db2.gz XZZVWEVXBVMHCF-KRWDZBQOSA-N 1 0 373.501 2.111 50 0 FEAARO Cn1nnc2cc(NC(=O)N3CCC([NH+]4CCSCC4)CC3)ccc21 ZINC000097347259 222176384 /nfs/dbraw/zinc/17/63/84/222176384.db2.gz RVXKSBKYHLUCQI-UHFFFAOYSA-N 1 0 360.487 2.013 50 0 FEAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000097642078 222201706 /nfs/dbraw/zinc/20/17/06/222201706.db2.gz OTDCBZNAQUDCHX-OAHLLOKOSA-N 1 0 353.426 2.342 50 0 FEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000101250742 222266236 /nfs/dbraw/zinc/26/62/36/222266236.db2.gz AGUOGPHCHCRQIM-QGZVFWFLSA-N 1 0 368.433 2.164 50 0 FEAARO O=C(C1CC[NH+](C2CCOCC2)CC1)N1CCN[C@H](c2ccccc2)C1 ZINC000097772874 222211420 /nfs/dbraw/zinc/21/14/20/222211420.db2.gz NRAZGOUCLRFKFW-FQEVSTJZSA-N 1 0 357.498 2.051 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)CC1 ZINC000097785431 222212761 /nfs/dbraw/zinc/21/27/61/222212761.db2.gz VEMWFKGSFMTYAZ-HNNXBMFYSA-N 1 0 365.474 2.195 50 0 FEAARO Cc1ccc2[nH]c(COCC(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)nc2c1 ZINC000097785438 222213164 /nfs/dbraw/zinc/21/31/64/222213164.db2.gz PSHMVLZBVZPHBP-HNNXBMFYSA-N 1 0 356.470 2.473 50 0 FEAARO CNC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-c4nc5ccccc5n4C)o3)C[C@@H]21 ZINC000102449108 222297067 /nfs/dbraw/zinc/29/70/67/222297067.db2.gz KQBDTPQXJHFORT-UOIKSKOESA-N 1 0 350.422 2.257 50 0 FEAARO COCCN1CC[C@@]2(C[N@H+](Cc3cc(C)ccc3C)CCN2C)CCC1=O ZINC000107406507 222394454 /nfs/dbraw/zinc/39/44/54/222394454.db2.gz QPQQIAGORMEFBY-JOCHJYFZSA-N 1 0 373.541 2.449 50 0 FEAARO C[C@@H](NC(=O)CSc1nnc(C2CC[NH2+]CC2)n1C)c1ccccc1 ZINC000426442815 263592648 /nfs/dbraw/zinc/59/26/48/263592648.db2.gz BQGOBDFUGBSVCP-CYBMUJFWSA-N 1 0 359.499 2.252 50 0 FEAARO CN(Cc1cccc2cnccc21)C(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000426484943 263601037 /nfs/dbraw/zinc/60/10/37/263601037.db2.gz YFOUQXBDOUZWPX-SFHVURJKSA-N 1 0 356.470 2.223 50 0 FEAARO CN(Cc1cc(-c2ccccn2)no1)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426716998 263663497 /nfs/dbraw/zinc/66/34/97/263663497.db2.gz PASYKJJAYFXVLV-UHFFFAOYSA-N 1 0 366.421 2.275 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CNC(=O)c2cccc(OCC[NH3+])c2)n1 ZINC000426730385 263665762 /nfs/dbraw/zinc/66/57/62/263665762.db2.gz IQEHGNFMYJYOAY-UHFFFAOYSA-N 1 0 354.332 2.071 50 0 FEAARO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1C(F)(F)F ZINC000192218974 328307321 /nfs/dbraw/zinc/30/73/21/328307321.db2.gz HVUCLLAUEGPIAC-LBPRGKRZSA-N 1 0 357.376 2.331 50 0 FEAARO COC1(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CC[NH2+]CC1 ZINC000164985107 327076039 /nfs/dbraw/zinc/07/60/39/327076039.db2.gz OZPWCUOUOGPTIE-UHFFFAOYSA-N 1 0 351.410 2.128 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000091364815 521819823 /nfs/dbraw/zinc/81/98/23/521819823.db2.gz VADIMAFVQGGFSI-UHFFFAOYSA-N 1 0 356.470 2.230 50 0 FEAARO CCc1nc(C)sc1C[N@@H+]1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091694818 522241520 /nfs/dbraw/zinc/24/15/20/522241520.db2.gz WMJGNDZDXHUASQ-AEFFLSMTSA-N 1 0 367.559 2.309 50 0 FEAARO COc1cc(CCC(=O)N2CC[NH2+][C@H](C)C2)ccc1OCC(F)(F)F ZINC000155116069 522323818 /nfs/dbraw/zinc/32/38/18/522323818.db2.gz ZAGLWJHYDNFUSS-GFCCVEGCSA-N 1 0 360.376 2.389 50 0 FEAARO CCc1oc(C(=O)N2CC[C@]3(C2)CCCNC3=O)cc1C[NH+]1CCCC1 ZINC000091695460 522981042 /nfs/dbraw/zinc/98/10/42/522981042.db2.gz WHQMEIFGZFAEBG-FQEVSTJZSA-N 1 0 359.470 2.180 50 0 FEAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245225319 523887479 /nfs/dbraw/zinc/88/74/79/523887479.db2.gz RYITZSNIDPOIBD-RDBSUJKOSA-N 1 0 356.297 2.459 50 0 FEAARO Cc1ccc(C)c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c1 ZINC000091574237 524085565 /nfs/dbraw/zinc/08/55/65/524085565.db2.gz COGOKZPNQNGXPE-CTNGQTDRSA-N 1 0 373.541 2.154 50 0 FEAARO C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000156963565 524210096 /nfs/dbraw/zinc/21/00/96/524210096.db2.gz BTGNHZSOBCEZEE-ZWNOBZJWSA-N 1 0 364.389 2.180 50 0 FEAARO Cc1cccc([C@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)N(C)C)c1 ZINC000091536429 524858833 /nfs/dbraw/zinc/85/88/33/524858833.db2.gz SOSZHFBWAQWALV-HXUWFJFHSA-N 1 0 372.557 2.274 50 0 FEAARO Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000097815041 524906970 /nfs/dbraw/zinc/90/69/70/524906970.db2.gz UQRMXOPDNXFUKF-MRXNPFEDSA-N 1 0 365.905 2.123 50 0 FEAARO CS(=O)(=O)Cc1c2ccccc2sc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157786315 525140082 /nfs/dbraw/zinc/14/00/82/525140082.db2.gz HCWPZPCWHNQOBC-LLVKDONJSA-N 1 0 352.481 2.009 50 0 FEAARO COc1cccc(-c2n[nH]cc2C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000091459997 525720260 /nfs/dbraw/zinc/72/02/60/525720260.db2.gz ARXWUSANQIOXBF-UHFFFAOYSA-N 1 0 363.421 2.443 50 0 FEAARO Cc1ccc2[nH]c(C[NH2+]CCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2c1 ZINC000091518741 526102846 /nfs/dbraw/zinc/10/28/46/526102846.db2.gz DCVRSOUYRRJLDU-UHFFFAOYSA-N 1 0 360.421 2.349 50 0 FEAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC4CC4)C3)nc2c1 ZINC000245732620 526103410 /nfs/dbraw/zinc/10/34/10/526103410.db2.gz UCSYQELYEMEVNB-ZIAGYGMSSA-N 1 0 369.469 2.427 50 0 FEAARO c1cn(Cc2ccccc2)c([C@@H]2CCC[N@@H+](CCCn3cnnn3)C2)n1 ZINC000082107086 526535335 /nfs/dbraw/zinc/53/53/35/526535335.db2.gz MTZKOLSVOSOGCR-GOSISDBHSA-N 1 0 351.458 2.188 50 0 FEAARO NC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000019849822 526854958 /nfs/dbraw/zinc/85/49/58/526854958.db2.gz ROFYDIDASYQMAQ-UHFFFAOYSA-N 1 0 363.889 2.276 50 0 FEAARO NC(=O)COc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000299785401 526890253 /nfs/dbraw/zinc/89/02/53/526890253.db2.gz YYBBWPWTEVYVNY-UHFFFAOYSA-N 1 0 359.470 2.031 50 0 FEAARO Clc1cc(Br)ccc1OCCOCCN1CC[NH2+]CC1 ZINC000020272159 526925105 /nfs/dbraw/zinc/92/51/05/526925105.db2.gz FHSLTLZEXXPRLF-UHFFFAOYSA-N 1 0 363.683 2.403 50 0 FEAARO O=C(Cc1cccc(O)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091351280 527267655 /nfs/dbraw/zinc/26/76/55/527267655.db2.gz HDYZSBCYTOBPJU-RBUKOAKNSA-N 1 0 351.450 2.453 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000269262496 527365168 /nfs/dbraw/zinc/36/51/68/527365168.db2.gz RMQKOFHYIWZKTM-YUELXQCFSA-N 1 0 353.260 2.476 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCc3cc(-c4ccccc4)on3)nn2)CC1 ZINC000244605580 527414008 /nfs/dbraw/zinc/41/40/08/527414008.db2.gz FBFIQYAEOIWJQJ-FZNQNYSPSA-N 1 0 366.425 2.306 50 0 FEAARO OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CC[N@@H+]1C1CCCC1 ZINC000020996569 527567126 /nfs/dbraw/zinc/56/71/26/527567126.db2.gz GLOYLCYMNAZILV-LJQANCHMSA-N 1 0 355.486 2.079 50 0 FEAARO Cc1nn(C)cc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082166488 527689971 /nfs/dbraw/zinc/68/99/71/527689971.db2.gz CVPGSPOKKDWMMS-UHFFFAOYSA-N 1 0 370.501 2.393 50 0 FEAARO CCCc1cc(N2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)nc(C)n1 ZINC000091876411 535400838 /nfs/dbraw/zinc/40/08/38/535400838.db2.gz CWAGZRNSIYJGFN-FQEVSTJZSA-N 1 0 362.518 2.037 50 0 FEAARO COc1ccccc1N1CCN(C(=O)CC[NH+]2CCCCCC2)CC1=O ZINC000082120632 537063666 /nfs/dbraw/zinc/06/36/66/537063666.db2.gz NNWIGFGFEVKZMB-UHFFFAOYSA-N 1 0 359.470 2.137 50 0 FEAARO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(F)cc2)CC12CCOCC2 ZINC000169793288 546161498 /nfs/dbraw/zinc/16/14/98/546161498.db2.gz WBAQWKVIWGNPKB-OAHLLOKOSA-N 1 0 350.434 2.021 50 0 FEAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613648 546166212 /nfs/dbraw/zinc/16/62/12/546166212.db2.gz AHAIRZAPYGTJAM-YJBOKZPZSA-N 1 0 368.481 2.236 50 0 FEAARO C[C@@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)[N@H+](C)C1CC1 ZINC000173482665 546281996 /nfs/dbraw/zinc/28/19/96/546281996.db2.gz VEEVZFTYWUYRSC-LBPRGKRZSA-N 1 0 357.410 2.325 50 0 FEAARO Cn1cnc(-c2cccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)n1 ZINC000181811345 547384535 /nfs/dbraw/zinc/38/45/35/547384535.db2.gz GWIIAAYVLFQQPZ-OAHLLOKOSA-N 1 0 354.458 2.432 50 0 FEAARO O=C(COc1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)cc1)N1CCCC1 ZINC000215092087 548668585 /nfs/dbraw/zinc/66/85/85/548668585.db2.gz JTLFOJBMKROJQC-UHFFFAOYSA-N 1 0 369.469 2.186 50 0 FEAARO COc1ccccc1-n1cc(C(=O)NC2CC[NH+](CCSC)CC2)cn1 ZINC000215070042 548668709 /nfs/dbraw/zinc/66/87/09/548668709.db2.gz DKIYMMNPZBZHJC-UHFFFAOYSA-N 1 0 374.510 2.438 50 0 FEAARO C[NH+](C)CCOc1ccccc1CN1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000215131146 548669124 /nfs/dbraw/zinc/66/91/24/548669124.db2.gz QPYBUNPCORJMHY-HXUWFJFHSA-N 1 0 371.456 2.439 50 0 FEAARO CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000215929635 548674453 /nfs/dbraw/zinc/67/44/53/548674453.db2.gz VTYALEKZFXHSKB-HNNXBMFYSA-N 1 0 361.829 2.037 50 0 FEAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(Cl)s1)C2 ZINC000219311902 548693810 /nfs/dbraw/zinc/69/38/10/548693810.db2.gz IMYJRHGYWIINCS-CYBMUJFWSA-N 1 0 368.890 2.239 50 0 FEAARO CCc1c(C)scc1C(=O)N1CCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000220369144 548700002 /nfs/dbraw/zinc/70/00/02/548700002.db2.gz APSKHWBTYMNJCV-KRWDZBQOSA-N 1 0 362.499 2.066 50 0 FEAARO CC(=O)N1CCCC[C@@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000222322471 548706683 /nfs/dbraw/zinc/70/66/83/548706683.db2.gz VLMMHVRYGSTASN-LJQANCHMSA-N 1 0 357.498 2.167 50 0 FEAARO COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000229819394 548757119 /nfs/dbraw/zinc/75/71/19/548757119.db2.gz XBFAKQQJPJMLER-BBWFWOEESA-N 1 0 373.497 2.298 50 0 FEAARO CCOc1cc(C(=O)N2CC[NH2+][C@H](C)C2)ccc1OCc1ccncc1 ZINC000236887845 548786904 /nfs/dbraw/zinc/78/69/04/548786904.db2.gz CMJTXCGWBXPVEM-OAHLLOKOSA-N 1 0 355.438 2.493 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000237128331 548802897 /nfs/dbraw/zinc/80/28/97/548802897.db2.gz WLXIXWJBLUVKIU-NSHDSACASA-N 1 0 364.243 2.115 50 0 FEAARO Cc1c(C(=O)N(C)Cc2nc3c(s2)CCCC3)nnn1C1CC[NH2+]CC1 ZINC000237250325 548812520 /nfs/dbraw/zinc/81/25/20/548812520.db2.gz SVJAFJKZIVVLFB-UHFFFAOYSA-N 1 0 374.514 2.119 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000237254524 548812608 /nfs/dbraw/zinc/81/26/08/548812608.db2.gz BUYNDTQKHBGHNT-HNNXBMFYSA-N 1 0 368.842 2.105 50 0 FEAARO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH+]2CCC(NC(=O)C3CC3)CC2)C1 ZINC000239654038 548883973 /nfs/dbraw/zinc/88/39/73/548883973.db2.gz BMLDIMCRLHUMDP-FOIQADDNSA-N 1 0 363.502 2.234 50 0 FEAARO Cn1ncc2cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(O)c21 ZINC000241897130 548886046 /nfs/dbraw/zinc/88/60/46/548886046.db2.gz TVVHWQHPEOBRGL-QGZVFWFLSA-N 1 0 350.422 2.283 50 0 FEAARO NC(=O)c1ccc(NC(=O)CCN2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000244633424 548891542 /nfs/dbraw/zinc/89/15/42/548891542.db2.gz GCSYLWYKYNRXQD-UHFFFAOYSA-N 1 0 372.513 2.455 50 0 FEAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244852851 548896918 /nfs/dbraw/zinc/89/69/18/548896918.db2.gz UZZBJHVEFGEMPP-JGZJWPJOSA-N 1 0 358.833 2.463 50 0 FEAARO COc1cncc([C@@H](NC(=O)C2([NH+]3CCCC3)CCCC2)[C@H]2C[C@H](O)C2)c1 ZINC000244866569 548896948 /nfs/dbraw/zinc/89/69/48/548896948.db2.gz VYLXXFWNWCONEE-IEZWGBDMSA-N 1 0 373.497 2.427 50 0 FEAARO COc1cc2c(cc1CNc1cc([C@H]3C[C@@H]([NH3+])C3)nc(C)n1)OCCO2 ZINC000244899942 548899464 /nfs/dbraw/zinc/89/94/64/548899464.db2.gz ZTIVEFGRCNTEEG-XBXGTLAGSA-N 1 0 356.426 2.382 50 0 FEAARO CN1c2ccccc2[C@]2(CCC[N@H+](CCC(=O)Nc3nccs3)C2)C1=O ZINC000252508442 549671402 /nfs/dbraw/zinc/67/14/02/549671402.db2.gz XNKRBFQXUGQCSX-LJQANCHMSA-N 1 0 370.478 2.482 50 0 FEAARO OC[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000253407166 549686308 /nfs/dbraw/zinc/68/63/08/549686308.db2.gz JPJVTMUUENQBHR-DOTOQJQBSA-N 1 0 354.385 2.479 50 0 FEAARO COC(=O)C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(OC)cc2)CC1 ZINC000253428121 549688333 /nfs/dbraw/zinc/68/83/33/549688333.db2.gz OWYHVSGHKWAOSN-INIZCTEOSA-N 1 0 362.470 2.319 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCc3nc(C)[nH]c(=O)c3CC2)cc1 ZINC000257175271 549711543 /nfs/dbraw/zinc/71/15/43/549711543.db2.gz OJWYQONVOPXNPW-UHFFFAOYSA-N 1 0 365.437 2.490 50 0 FEAARO O=S(=O)(c1cccs1)N1CCC2(CC[C@H]2N2CCOCC2)CC1 ZINC000257181026 549712398 /nfs/dbraw/zinc/71/23/98/549712398.db2.gz FBONBQOUHZSFBI-CQSZACIVSA-N 1 0 356.513 2.014 50 0 FEAARO Cn1nc2n(c1=O)CC[C@H]([N@H+](C)Cc1cccc(OC(F)(F)F)c1)CC2 ZINC000257190655 549714895 /nfs/dbraw/zinc/71/48/95/549714895.db2.gz NFQDOXMZVKZHDL-CYBMUJFWSA-N 1 0 370.375 2.317 50 0 FEAARO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000285612868 551782918 /nfs/dbraw/zinc/78/29/18/551782918.db2.gz YNNOWDYSUYSHDR-INIZCTEOSA-N 1 0 368.485 2.070 50 0 FEAARO CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000333902321 554654213 /nfs/dbraw/zinc/65/42/13/554654213.db2.gz ZMFSGTFCOXEQDD-CABCVRRESA-N 1 0 351.516 2.480 50 0 FEAARO C[NH+]1CCN(CCNC(=O)N(Cc2ccncc2)C2CCCCC2)CC1 ZINC000426488131 559735619 /nfs/dbraw/zinc/73/56/19/559735619.db2.gz FTHABLIDZOJYTG-UHFFFAOYSA-N 1 0 359.518 2.173 50 0 FEAARO [NH3+]CCOc1cccc(CC(=O)N2CCC[C@H](OCc3ccccn3)C2)c1 ZINC000426496808 559735874 /nfs/dbraw/zinc/73/58/74/559735874.db2.gz FWLGRNJKJZTTAE-FQEVSTJZSA-N 1 0 369.465 2.169 50 0 FEAARO Cn1c(CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nc2ccccc21 ZINC000426509855 559736335 /nfs/dbraw/zinc/73/63/35/559736335.db2.gz CDXBGOVJYJDUCU-INIZCTEOSA-N 1 0 355.486 2.386 50 0 FEAARO O=C(NCc1cnc2ccccc2c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000426511854 559736469 /nfs/dbraw/zinc/73/64/69/559736469.db2.gz XUHPNYDJPPLGHI-KRWDZBQOSA-N 1 0 368.481 2.489 50 0 FEAARO CNc1nc(N2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)cc(C)[nH+]1 ZINC000426544966 559737420 /nfs/dbraw/zinc/73/74/20/559737420.db2.gz HAEQUXUUYUDJTH-GQIGUUNPSA-N 1 0 369.469 2.817 50 0 FEAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 ZINC000426548559 559737526 /nfs/dbraw/zinc/73/75/26/559737526.db2.gz RZRWEWLWDOQDAK-MRXNPFEDSA-N 1 0 354.454 2.150 50 0 FEAARO Cc1ccc(-c2cccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)nn1 ZINC000426667476 559739893 /nfs/dbraw/zinc/73/98/93/559739893.db2.gz MWZXXQFTUPEGFY-OALUTQOASA-N 1 0 352.438 2.045 50 0 FEAARO CCCn1ccnc1CNC(=O)c1cccc(-c2ncc(F)c(NC)n2)c1 ZINC000426711223 559740657 /nfs/dbraw/zinc/74/06/57/559740657.db2.gz FHUOKJVDIFAICF-UHFFFAOYSA-N 1 0 368.416 2.861 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@H](C)Cc3ccccn3)cc2C1 ZINC000534582559 562537340 /nfs/dbraw/zinc/53/73/40/562537340.db2.gz GBHWYGWTJFEKSH-MRXNPFEDSA-N 1 0 370.501 2.324 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)N(Cc1ccco1)Cc1ccncc1 ZINC000534631090 562538609 /nfs/dbraw/zinc/53/86/09/562538609.db2.gz MVEOOENSTXMMLG-SFHVURJKSA-N 1 0 372.469 2.091 50 0 FEAARO CC1CC[NH+](CCCNC(=O)N2CCN(Cc3cccc(O)c3)CC2)CC1 ZINC000584903190 570510023 /nfs/dbraw/zinc/51/00/23/570510023.db2.gz NQJGKKIKBFTVAD-UHFFFAOYSA-N 1 0 374.529 2.341 50 0 FEAARO C#CCN1CCCC[C@@H]1C(=O)NNc1nc(-c2cccnc2)nc(C)c1C ZINC000072290892 570522980 /nfs/dbraw/zinc/52/29/80/570522980.db2.gz RKPOWUUUKZMTIX-QGZVFWFLSA-N 1 0 364.453 2.086 50 0 FEAARO O[C@H](Cn1cccn1)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000048260621 570938741 /nfs/dbraw/zinc/93/87/41/570938741.db2.gz LLKYYNRVJJMUMG-KRWDZBQOSA-N 1 0 356.495 2.277 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCn2c3ccccc3n(C)c2=O)C1 ZINC000048269602 570939486 /nfs/dbraw/zinc/93/94/86/570939486.db2.gz IMXJAYSVWZVFDI-CALCHBBNSA-N 1 0 372.513 2.214 50 0 FEAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000575616605 571169520 /nfs/dbraw/zinc/16/95/20/571169520.db2.gz RGQWRZJZUNBZDA-CQSZACIVSA-N 1 0 357.376 2.331 50 0 FEAARO C[NH2+]Cc1nnc(SCc2cn3cc(C)ccc3n2)n1C[C@@H]1CCCO1 ZINC000426361444 571215461 /nfs/dbraw/zinc/21/54/61/571215461.db2.gz WKEXUJXCQZOWBD-HNNXBMFYSA-N 1 0 372.498 2.425 50 0 FEAARO COc1cc(-c2ccc(C(=O)N(CCO)CC[NH+](C)C)cc2)ccc1O ZINC000426398013 571219657 /nfs/dbraw/zinc/21/96/57/571219657.db2.gz FXSSVHWZIZIDLG-UHFFFAOYSA-N 1 0 358.438 2.064 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1ccc(-c2ncon2)cc1 ZINC000426421051 571223083 /nfs/dbraw/zinc/22/30/83/571223083.db2.gz DHRVWHMJBWMHML-UHFFFAOYSA-N 1 0 356.357 2.143 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@@H](C)c3nc(C)c[nH]3)cc2C1 ZINC000584891385 571314674 /nfs/dbraw/zinc/31/46/74/571314674.db2.gz LIPXWGUEKOUDRD-AWEZNQCLSA-N 1 0 359.478 2.091 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(OC)cc3F)C2)C1=O ZINC000012049122 670000308 /nfs/dbraw/zinc/00/03/08/670000308.db2.gz LFJXOGUUFPIIKI-LJQANCHMSA-N 1 0 350.434 2.295 50 0 FEAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[C@H]1c1nccs1 ZINC000012204807 670001128 /nfs/dbraw/zinc/00/11/28/670001128.db2.gz ZGXMOOIMRGFNGY-HNNXBMFYSA-N 1 0 360.487 2.198 50 0 FEAARO O[C@H](COc1ccccc1CN1CCCCO1)C[NH+]1CCSCC1 ZINC000012439772 670002040 /nfs/dbraw/zinc/00/20/40/670002040.db2.gz LKFNWGQFEAIZDD-KRWDZBQOSA-N 1 0 352.500 2.003 50 0 FEAARO Cc1ncsc1CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000014954521 670009820 /nfs/dbraw/zinc/00/98/20/670009820.db2.gz BPSCAUKOMJQICC-MRXNPFEDSA-N 1 0 364.559 2.307 50 0 FEAARO C[N@H+](CCOc1cccc(Cl)c1)Cc1cnc(N2CCOCC2)nc1 ZINC000121496889 671950764 /nfs/dbraw/zinc/95/07/64/671950764.db2.gz HCCZSZFFUYVWGF-UHFFFAOYSA-N 1 0 362.861 2.477 50 0 FEAARO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(Cl)cc1F)CC2 ZINC000169751617 672321614 /nfs/dbraw/zinc/32/16/14/672321614.db2.gz VIBZXAAFBAXNMX-UHFFFAOYSA-N 1 0 350.825 2.229 50 0 FEAARO O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782138 672322172 /nfs/dbraw/zinc/32/21/72/672322172.db2.gz GTEQQVABBPTIHJ-CYBMUJFWSA-N 1 0 358.360 2.019 50 0 FEAARO CS[C@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@H]1[NH+](C)C ZINC000543903111 673677256 /nfs/dbraw/zinc/67/72/56/673677256.db2.gz NIUSDGOVJAIGIT-KGLIPLIRSA-N 1 0 360.512 2.335 50 0 FEAARO CN(CCO)S(=O)(=O)c1ccccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657917910 678045772 /nfs/dbraw/zinc/04/57/72/678045772.db2.gz MFXBWVQUCFFQQQ-RYRKJORJSA-N 1 0 366.527 2.214 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)C1 ZINC000952983003 681795209 /nfs/dbraw/zinc/79/52/09/681795209.db2.gz UELUBQDNTJWPJA-INIZCTEOSA-N 1 0 354.516 2.399 50 0 FEAARO CC[N@@H+]1CCC[C@H](CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000095961965 210235023 /nfs/dbraw/zinc/23/50/23/210235023.db2.gz BGJPXUSHUPAAMJ-CQSZACIVSA-N 1 0 352.442 2.253 50 0 FEAARO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCCC1 ZINC000002106979 539344552 /nfs/dbraw/zinc/34/45/52/539344552.db2.gz CMNXEVSAEYDUEZ-UHFFFAOYSA-N 1 0 361.398 2.006 50 0 biogenic FEAARO C[NH+](C)CCNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000003133825 539359605 /nfs/dbraw/zinc/35/96/05/539359605.db2.gz GDACOVATFINODV-UHFFFAOYSA-N 1 0 367.371 2.207 50 0 FEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000229625601 210177837 /nfs/dbraw/zinc/17/78/37/210177837.db2.gz GBWJUBACLCACNA-DZGCQCFKSA-N 1 0 372.498 2.052 50 0 FEAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(OCc2ccccc2F)cc1 ZINC000221142035 210174616 /nfs/dbraw/zinc/17/46/16/210174616.db2.gz MDCPELGVTHOLPK-GOSISDBHSA-N 1 0 371.456 2.380 50 0 FEAARO C[NH+](C)CCNC(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000005207908 539405564 /nfs/dbraw/zinc/40/55/64/539405564.db2.gz UGEAFRFJDIIHDG-UHFFFAOYSA-N 1 0 368.264 2.495 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000009314726 539500342 /nfs/dbraw/zinc/50/03/42/539500342.db2.gz INWAEGGDSCZBTM-AWEZNQCLSA-N 1 0 370.449 2.261 50 0 FEAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000009594615 539505067 /nfs/dbraw/zinc/50/50/67/539505067.db2.gz GRPXINBKBYKORN-UHFFFAOYSA-N 1 0 362.437 2.188 50 0 FEAARO CC(C)[C@H]1C[N@H+](C)CCN1c1nc2nonc2nc1NCc1cccs1 ZINC000011997764 539540965 /nfs/dbraw/zinc/54/09/65/539540965.db2.gz JQDRIKIIYSPBGK-CYBMUJFWSA-N 1 0 373.486 2.463 50 0 FEAARO [NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 ZINC000132380105 210070593 /nfs/dbraw/zinc/07/05/93/210070593.db2.gz ITZWCRMROXPJKS-MRVPVSSYSA-N 1 0 359.739 2.113 50 0 FEAARO O=C(CCc1ccco1)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012197255 539549621 /nfs/dbraw/zinc/54/96/21/539549621.db2.gz BSGPSFMZIQNTCE-MRXNPFEDSA-N 1 0 373.497 2.194 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N(C)C3CC[NH+](C)CC3)nc2)on1 ZINC000012302971 539552741 /nfs/dbraw/zinc/55/27/41/539552741.db2.gz WUXGGRFSFLFQNK-UHFFFAOYSA-N 1 0 371.485 2.483 50 0 FEAARO COc1cc(CCC(=O)N2CC[NH2+]C[C@H]2C)ccc1OCC(F)(F)F ZINC000125190913 210061528 /nfs/dbraw/zinc/06/15/28/210061528.db2.gz LAFDPHFYDWTKGJ-GFCCVEGCSA-N 1 0 360.376 2.389 50 0 FEAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)N1CCOCC1 ZINC000012459763 539561118 /nfs/dbraw/zinc/56/11/18/539561118.db2.gz YWHIFEPKFBZDAP-HNNXBMFYSA-N 1 0 358.442 2.074 50 0 FEAARO C[C@@H]1Cc2cc(C(=O)NCC3([NH+]4CCN(C)CC4)CCCC3)ccc2O1 ZINC000299798061 210038106 /nfs/dbraw/zinc/03/81/06/210038106.db2.gz UHCDVISHVOZDFP-MRXNPFEDSA-N 1 0 357.498 2.300 50 0 FEAARO Cc1cccc(CN2CCC[C@@](O)(C[N@H+](C)Cc3cccnc3)C2=O)c1 ZINC000012448964 539561339 /nfs/dbraw/zinc/56/13/39/539561339.db2.gz SJHWSUSXZGTZNV-OAQYLSRUSA-N 1 0 353.466 2.376 50 0 FEAARO COc1cc(CN2CCSCC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012580716 539566495 /nfs/dbraw/zinc/56/64/95/539566495.db2.gz OXJNNKVSKKVVDN-QGZVFWFLSA-N 1 0 368.543 2.324 50 0 FEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)COCC(F)(F)C(F)F ZINC000299772998 210019497 /nfs/dbraw/zinc/01/94/97/210019497.db2.gz BOHXQMWJQONLBT-AWEZNQCLSA-N 1 0 362.367 2.419 50 0 FEAARO COc1cccc(C[C@]2(C3CC[NH2+]CC3)NC(=O)N(C3CCCC3)C2=O)c1 ZINC000299770691 210017453 /nfs/dbraw/zinc/01/74/53/210017453.db2.gz VMAWDQYOTMLGLA-OAQYLSRUSA-N 1 0 371.481 2.471 50 0 FEAARO CC1(C)C[C@@H](C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)CCO1 ZINC000299764328 210012677 /nfs/dbraw/zinc/01/26/77/210012677.db2.gz RQDDLLAEIQHDNS-HNNXBMFYSA-N 1 0 356.474 2.306 50 0 FEAARO [NH3+]CCCOc1ccc(C(=O)NCCn2cc(Cl)cn2)cc1Cl ZINC000299763853 210012743 /nfs/dbraw/zinc/01/27/43/210012743.db2.gz FQCOJUWWRIKFSA-UHFFFAOYSA-N 1 0 357.241 2.348 50 0 FEAARO CCc1nccn1CCC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000299762465 210013431 /nfs/dbraw/zinc/01/34/31/210013431.db2.gz XEODPBNFFUUJGT-UHFFFAOYSA-N 1 0 352.482 2.147 50 0 FEAARO O=C(Nc1snnc1-c1ccccc1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299759307 210011816 /nfs/dbraw/zinc/01/18/16/210011816.db2.gz FXOVFKQWYJMBIM-KBPBESRZSA-N 1 0 359.455 2.190 50 0 FEAARO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000014109650 539595283 /nfs/dbraw/zinc/59/52/83/539595283.db2.gz HXFGTADCTHABSA-UHFFFAOYSA-N 1 0 354.454 2.468 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012308 539638115 /nfs/dbraw/zinc/63/81/15/539638115.db2.gz CDGMCMHYCRLOLG-UHFFFAOYSA-N 1 0 359.861 2.467 50 0 FEAARO Cc1ccc(OCCOCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000019792531 539668902 /nfs/dbraw/zinc/66/89/02/539668902.db2.gz VAUXLXHZXZBNNL-UHFFFAOYSA-N 1 0 357.292 2.400 50 0 FEAARO Cc1nnc(=O)[nH]c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019912199 539670596 /nfs/dbraw/zinc/67/05/96/539670596.db2.gz GGHVUTXLMLUDMD-UHFFFAOYSA-N 1 0 361.449 2.385 50 0 FEAARO O=C(NCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127416 539706888 /nfs/dbraw/zinc/70/68/88/539706888.db2.gz XXBYPCQKCXMBJW-UHFFFAOYSA-N 1 0 365.477 2.331 50 0 FEAARO CN1CC[NH+](C2(CNC(=O)COc3ccc(F)cc3)CCCCC2)CC1 ZINC000027742171 539815617 /nfs/dbraw/zinc/81/56/17/539815617.db2.gz GSHQNLZRVGYMDD-UHFFFAOYSA-N 1 0 363.477 2.271 50 0 FEAARO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000029094050 539842791 /nfs/dbraw/zinc/84/27/91/539842791.db2.gz LGYOZKVPYNUGCZ-UHFFFAOYSA-N 1 0 350.846 2.397 50 0 FEAARO Cc1cccc2c(=O)n(CC(=O)Nc3ccc(C[NH+](C)C)cc3)cnc12 ZINC000029952251 539870221 /nfs/dbraw/zinc/87/02/21/539870221.db2.gz DSWBTBKWUASNJS-UHFFFAOYSA-N 1 0 350.422 2.405 50 0 FEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000032873755 539956959 /nfs/dbraw/zinc/95/69/59/539956959.db2.gz PAUJLJPNNUGWFP-MSOLQXFVSA-N 1 0 367.449 2.275 50 0 FEAARO CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCC[NH+]1CCCC1 ZINC000033131133 539968954 /nfs/dbraw/zinc/96/89/54/539968954.db2.gz BDQOMOPYIBUBAX-UHFFFAOYSA-N 1 0 357.410 2.344 50 0 FEAARO CCN1CCN(C(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505091 539982507 /nfs/dbraw/zinc/98/25/07/539982507.db2.gz HHUKLWQAZUZPAX-AWEZNQCLSA-N 1 0 359.499 2.072 50 0 FEAARO COc1ccccc1[C@H](CNC(=O)CN1CCSC1=O)[NH+]1CCCC1 ZINC000040007822 540003857 /nfs/dbraw/zinc/00/38/57/540003857.db2.gz MWECVQOTQMCCAB-HNNXBMFYSA-N 1 0 363.483 2.117 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000040156740 540008188 /nfs/dbraw/zinc/00/81/88/540008188.db2.gz IPZWYLMUWGBSNT-UHFFFAOYSA-N 1 0 360.501 2.076 50 0 FEAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)nc2ccccc21 ZINC000249683472 222965543 /nfs/dbraw/zinc/96/55/43/222965543.db2.gz CULLEXIHVXOBOC-MRXNPFEDSA-N 1 0 356.470 2.127 50 0 FEAARO Cn1cc(CCCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N3CCCC3)n2)cn1 ZINC000252551046 222981577 /nfs/dbraw/zinc/98/15/77/222981577.db2.gz TVZVKEIHLUJUGJ-IYBDPMFKSA-N 1 0 355.490 2.060 50 0 FEAARO Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000049550453 540390296 /nfs/dbraw/zinc/39/02/96/540390296.db2.gz PDKCMMHDMKJVPU-UHFFFAOYSA-N 1 0 363.506 2.085 50 0 FEAARO CC[NH+](CC)CCCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005187792 219659847 /nfs/dbraw/zinc/65/98/47/219659847.db2.gz CQHLAIQITKHEBC-QGZVFWFLSA-N 1 0 360.502 2.440 50 0 FEAARO C[NH+](C)C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 ZINC000052555297 540473293 /nfs/dbraw/zinc/47/32/93/540473293.db2.gz NBFBHFAZRKYZHV-KRWDZBQOSA-N 1 0 361.467 2.091 50 0 FEAARO C[NH+](C)C1(CNC(=O)CCCNC(=O)NC2CCCCC2)CCCC1 ZINC000052936836 540501470 /nfs/dbraw/zinc/50/14/70/540501470.db2.gz ZBHRDDXTOOUGPP-UHFFFAOYSA-N 1 0 352.523 2.389 50 0 FEAARO COCCn1cnnc1CC[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055393002 540650731 /nfs/dbraw/zinc/65/07/31/540650731.db2.gz HLCVRBHEEYUNRC-UHFFFAOYSA-N 1 0 352.442 2.022 50 0 FEAARO O=C(NC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1)C1CC1 ZINC000057170805 540774993 /nfs/dbraw/zinc/77/49/93/540774993.db2.gz VJBDLSSZWMDXNV-LJQANCHMSA-N 1 0 355.482 2.168 50 0 FEAARO O=C(NC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000057170809 540775018 /nfs/dbraw/zinc/77/50/18/540775018.db2.gz FWRNPHJEHYLERB-LJQANCHMSA-N 1 0 369.509 2.416 50 0 FEAARO Cc1nn(C)c(C)c1CNC(=O)c1nc(C)n(C2CC[NH+](C)CC2)c1C ZINC000065257266 541230224 /nfs/dbraw/zinc/23/02/24/541230224.db2.gz JGCFOKDJDIZKPN-UHFFFAOYSA-N 1 0 358.490 2.047 50 0 FEAARO O=C(NCCCOc1ccccc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069922066 541724210 /nfs/dbraw/zinc/72/42/10/541724210.db2.gz QTOJJRNHEMKUOF-SFHVURJKSA-N 1 0 361.486 2.209 50 0 FEAARO CCOc1ccc(-c2ccc(CN3CC[NH2+][C@H](C(=O)NC4CC4)C3)o2)cc1 ZINC000072125404 541784319 /nfs/dbraw/zinc/78/43/19/541784319.db2.gz QBARMDRHSPVMSC-IBGZPJMESA-N 1 0 369.465 2.398 50 0 FEAARO COc1cccc(SCC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCOCC2)c1 ZINC000072129383 541785106 /nfs/dbraw/zinc/78/51/06/541785106.db2.gz CMKKTDJVQJKULK-SJORKVTESA-N 1 0 350.484 2.203 50 0 FEAARO NC(=O)CN1c2ccccc2[C@@]2(CC[N@H+](C/C=C/c3ccccc3)C2)C1=O ZINC000072134587 541786120 /nfs/dbraw/zinc/78/61/20/541786120.db2.gz ZKSTZINGBQWNRN-OUZREKFBSA-N 1 0 361.445 2.175 50 0 FEAARO COc1cccc([C@H]2CN(S(=O)(=O)C3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072133826 541785849 /nfs/dbraw/zinc/78/58/49/541785849.db2.gz NEJHINBKYGIULG-GUDVDZBRSA-N 1 0 362.495 2.049 50 0 FEAARO C[C@H](CO)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072141648 541787052 /nfs/dbraw/zinc/78/70/52/541787052.db2.gz CDPVAEXBJLXFPX-QGZVFWFLSA-N 1 0 352.478 2.196 50 0 FEAARO CCN1C(=O)NC(=O)C12CC[NH+](Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000072150440 541789735 /nfs/dbraw/zinc/78/97/35/541789735.db2.gz NFTCCQJLUUELQE-UHFFFAOYSA-N 1 0 371.485 2.431 50 0 FEAARO CN(C(=O)C(=O)NC1CCCC1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072153947 541790387 /nfs/dbraw/zinc/79/03/87/541790387.db2.gz ZZNDROGQHFRMLX-LJQANCHMSA-N 1 0 369.509 2.135 50 0 FEAARO Cc1nc[nH]c1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072164706 541793447 /nfs/dbraw/zinc/79/34/47/541793447.db2.gz WVULCBOITQIGKT-QXAKKESOSA-N 1 0 352.438 2.126 50 0 FEAARO CC(=O)NC[C@@]1(O)CCC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)CC1 ZINC000072166669 541794198 /nfs/dbraw/zinc/79/41/98/541794198.db2.gz NMVBRKZMPMXJLJ-OAQYLSRUSA-N 1 0 370.497 2.342 50 0 FEAARO COCCn1cc(NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)cn1 ZINC000072272869 541796461 /nfs/dbraw/zinc/79/64/61/541796461.db2.gz KHXVUNQSXHWWGE-UHFFFAOYSA-N 1 0 361.446 2.251 50 0 FEAARO COCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000072273952 541796874 /nfs/dbraw/zinc/79/68/74/541796874.db2.gz UOBXRACRMQOXBJ-CYBMUJFWSA-N 1 0 354.834 2.252 50 0 FEAARO c1cncc(CCNc2ncnc3c2CC[N@@H+](C2CCOCC2)CC3)c1 ZINC000072407878 541805972 /nfs/dbraw/zinc/80/59/72/541805972.db2.gz NVUWTYOSVCLLFR-UHFFFAOYSA-N 1 0 353.470 2.106 50 0 FEAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000072424571 541809894 /nfs/dbraw/zinc/80/98/94/541809894.db2.gz NIZPPWVESNHMDW-QGZVFWFLSA-N 1 0 357.506 2.007 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1CCO ZINC000072427957 541811633 /nfs/dbraw/zinc/81/16/33/541811633.db2.gz CUIGZAKADSDOLR-MRXNPFEDSA-N 1 0 356.470 2.242 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)c1 ZINC000072428184 541811750 /nfs/dbraw/zinc/81/17/50/541811750.db2.gz ARHDSUGVUFYPFE-UHFFFAOYSA-N 1 0 374.525 2.451 50 0 FEAARO O=C(N[C@@H]1CCSC1)c1ccc2c(c1)CN(CC[NH+]1CCCCC1)C2=O ZINC000072428130 541812161 /nfs/dbraw/zinc/81/21/61/541812161.db2.gz WHCUXAGHQDMYOS-QGZVFWFLSA-N 1 0 373.522 2.364 50 0 FEAARO [NH3+][C@H](C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1)c1ccccc1 ZINC000072430213 541812811 /nfs/dbraw/zinc/81/28/11/541812811.db2.gz FXBRAHKUZNDDFY-FQEVSTJZSA-N 1 0 365.481 2.483 50 0 FEAARO CCn1nc(C)c([C@H](C)NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)c1C ZINC000072433786 541813221 /nfs/dbraw/zinc/81/32/21/541813221.db2.gz MRGGPJSOFPRBNF-ZDUSSCGKSA-N 1 0 358.490 2.020 50 0 FEAARO Nc1nc2c(c(NCCn3cccc3)n1)CC[N@H+](Cc1ccoc1)CC2 ZINC000072456747 541816991 /nfs/dbraw/zinc/81/69/91/541816991.db2.gz JVRAMPPNEFMFJM-UHFFFAOYSA-N 1 0 352.442 2.166 50 0 FEAARO CCc1nc(CNc2nc(-c3ccco3)nc3c2CC[N@H+](C)CC3)no1 ZINC000072474900 541819331 /nfs/dbraw/zinc/81/93/31/541819331.db2.gz GDTBPWBNKXPPMG-UHFFFAOYSA-N 1 0 354.414 2.325 50 0 FEAARO c1nc(C[N@@H+]2CCc3nc(CC4CC4)nc(N4CCCC4)c3CC2)c[nH]1 ZINC000072473138 541818317 /nfs/dbraw/zinc/81/83/17/541818317.db2.gz LUMQCGAVOLIEKJ-UHFFFAOYSA-N 1 0 352.486 2.353 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c1 ZINC000072473810 541818768 /nfs/dbraw/zinc/81/87/68/541818768.db2.gz GDCHQAPMSQCUNI-HXUWFJFHSA-N 1 0 374.525 2.451 50 0 FEAARO c1cn(Cc2ccccc2)c(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072447724 541815841 /nfs/dbraw/zinc/81/58/41/541815841.db2.gz NDCFJLFXMMFSDC-UHFFFAOYSA-N 1 0 359.437 2.143 50 0 FEAARO Cc1ccccc1CNc1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000072475677 541819530 /nfs/dbraw/zinc/81/95/30/541819530.db2.gz PJDMLEQBHDZFOJ-HNNXBMFYSA-N 1 0 360.483 2.268 50 0 FEAARO COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000012784141 220029627 /nfs/dbraw/zinc/02/96/27/220029627.db2.gz SICXXMXWVQNCGY-GOSISDBHSA-N 1 0 369.465 2.234 50 0 FEAARO Cc1nc(C)c(CC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c(=O)[nH]1 ZINC000058297044 212003580 /nfs/dbraw/zinc/00/35/80/212003580.db2.gz CEJPHRQTAIDMDO-GOSISDBHSA-N 1 0 368.481 2.100 50 0 FEAARO COc1cccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019363160 220252373 /nfs/dbraw/zinc/25/23/73/220252373.db2.gz QSNBCOHZJJNOMI-IBGZPJMESA-N 1 0 356.466 2.253 50 0 FEAARO CN(Cc1nnc(C2CC2)n1C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000073491642 541957438 /nfs/dbraw/zinc/95/74/38/541957438.db2.gz VCESHEBUSPDJCF-KRWDZBQOSA-N 1 0 370.501 2.007 50 0 FEAARO OCC[C@@H]1CN(Cc2ccc3nonc3c2)CC[N@@H+]1CCc1ccccc1 ZINC000023374329 211385740 /nfs/dbraw/zinc/38/57/40/211385740.db2.gz FOLDPFBEDCKQGQ-LJQANCHMSA-N 1 0 366.465 2.334 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000022913726 211368441 /nfs/dbraw/zinc/36/84/41/211368441.db2.gz UYTDCWKNNKZCGN-INIZCTEOSA-N 1 0 369.912 2.442 50 0 FEAARO NC(=O)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000022198075 211341002 /nfs/dbraw/zinc/34/10/02/211341002.db2.gz NHDQXRSISSKTTL-UHFFFAOYSA-N 1 0 372.238 2.114 50 0 FEAARO COC[C@@H]1CC[N@H+](Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000020450486 211279773 /nfs/dbraw/zinc/27/97/73/211279773.db2.gz CMQXKPNVNSRHRX-CQSZACIVSA-N 1 0 362.499 2.490 50 0 FEAARO C[C@@H]([NH2+]CCOc1ccccc1F)C(=O)NCc1ccc2c(c1)OCO2 ZINC000016695442 211166209 /nfs/dbraw/zinc/16/62/09/211166209.db2.gz STOYTLOLEISKSW-CYBMUJFWSA-N 1 0 360.385 2.228 50 0 FEAARO Cc1c(C(=O)NCc2ccco2)sc2ncnc(NCC[NH+](C)C)c12 ZINC000015005975 211113873 /nfs/dbraw/zinc/11/38/73/211113873.db2.gz KPUISODPRXFMLS-UHFFFAOYSA-N 1 0 359.455 2.496 50 0 FEAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)CCO)C2 ZINC000014743416 211101239 /nfs/dbraw/zinc/10/12/39/211101239.db2.gz PJQDOIOATROQMY-MRXNPFEDSA-N 1 0 362.518 2.091 50 0 FEAARO O=C([C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000014747046 211100473 /nfs/dbraw/zinc/10/04/73/211100473.db2.gz ODTLVGTZPACFPK-NHCUHLMSSA-N 1 0 371.525 2.079 50 0 FEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]C(C)(C)CO)CC2 ZINC000014748785 211100318 /nfs/dbraw/zinc/10/03/18/211100318.db2.gz ZQQHKCHZRPCKDA-HNNXBMFYSA-N 1 0 362.518 2.041 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000013668562 211045610 /nfs/dbraw/zinc/04/56/10/211045610.db2.gz QRMNUYADXFIGEY-HUUCEWRRSA-N 1 0 368.499 2.104 50 0 FEAARO CCn1c(C[NH2+][C@H](C)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012529448 210964209 /nfs/dbraw/zinc/96/42/09/210964209.db2.gz SJUIRGHLZKADRH-CYBMUJFWSA-N 1 0 352.504 2.441 50 0 FEAARO O=C1N(CC2CC2)CCC[C@@]1(O)C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000012301446 210937011 /nfs/dbraw/zinc/93/70/11/210937011.db2.gz ILGFOFMIKXFVTG-JOCHJYFZSA-N 1 0 372.509 2.088 50 0 FEAARO COc1cc2oc(=O)c(CC(=O)NCCC[NH+](C)C)c(C)c2cc1Cl ZINC000005271210 210611344 /nfs/dbraw/zinc/61/13/44/210611344.db2.gz JNHHHFYWMDGHBG-UHFFFAOYSA-N 1 0 366.845 2.374 50 0 FEAARO O=C(Cn1nc2ccccc2n1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077340582 542369666 /nfs/dbraw/zinc/36/96/66/542369666.db2.gz NPDFYLCBMAMTSC-UHFFFAOYSA-N 1 0 355.467 2.227 50 0 FEAARO COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH+](C)C)c(OC)c1 ZINC000077376761 542374418 /nfs/dbraw/zinc/37/44/18/542374418.db2.gz ZLUHZHDHATXVOR-AWEZNQCLSA-N 1 0 356.488 2.199 50 0 FEAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407035 542379064 /nfs/dbraw/zinc/37/90/64/542379064.db2.gz BEXIEHVWIIGYBM-NRFANRHFSA-N 1 0 370.497 2.184 50 0 FEAARO O=C(N[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1O)c1cccnc1 ZINC000077515823 542391390 /nfs/dbraw/zinc/39/13/90/542391390.db2.gz LNDMWXBVWIJHLF-CJIROOEOSA-N 1 0 355.413 2.099 50 0 FEAARO CC(C)NC(=O)CC[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077487533 542387884 /nfs/dbraw/zinc/38/78/84/542387884.db2.gz AJJJJPRNWVUNAZ-UHFFFAOYSA-N 1 0 373.497 2.431 50 0 FEAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccc(C)c(C)c2n1 ZINC000077554384 542397274 /nfs/dbraw/zinc/39/72/74/542397274.db2.gz DFTABUUYJCRVIS-INIZCTEOSA-N 1 0 368.481 2.087 50 0 FEAARO CSc1nccn1-c1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000053450557 221046358 /nfs/dbraw/zinc/04/63/58/221046358.db2.gz GBHMGJQZUVILAJ-UHFFFAOYSA-N 1 0 374.510 2.436 50 0 FEAARO Cc1ccc2oc(C(=O)N3CCN(c4cc(C)[nH+]c(N)n4)CC3)cc2c1 ZINC000065382163 221207097 /nfs/dbraw/zinc/20/70/97/221207097.db2.gz MBULDUXZIWWXLM-UHFFFAOYSA-N 1 0 351.410 2.384 50 0 FEAARO COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000078870221 542484813 /nfs/dbraw/zinc/48/48/13/542484813.db2.gz XBFAKQQJPJMLER-ZACQAIPSSA-N 1 0 373.497 2.298 50 0 FEAARO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Cc3cccnc3)C2)cc1 ZINC000065491871 221225690 /nfs/dbraw/zinc/22/56/90/221225690.db2.gz FOGJHJRPKURXHH-QGZVFWFLSA-N 1 0 366.465 2.464 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)N2CCN(CCc3ccncc3)CC2)CC1 ZINC000065490109 221225904 /nfs/dbraw/zinc/22/59/04/221225904.db2.gz MTWJKAZYQQAEJD-UHFFFAOYSA-N 1 0 358.530 2.279 50 0 FEAARO Cc1ccc(OC2(C(=O)N[C@@H](CO)c3ccccc3)CC[NH2+]CC2)cc1 ZINC000065526355 221229895 /nfs/dbraw/zinc/22/98/95/221229895.db2.gz LQHYQBYJCVESBS-IBGZPJMESA-N 1 0 354.450 2.346 50 0 FEAARO COC(=O)CC(C)(C)[NH2+]CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000079109496 542499938 /nfs/dbraw/zinc/49/99/38/542499938.db2.gz TYCYWSDXDQBHIS-UHFFFAOYSA-N 1 0 358.442 2.359 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000065536570 221232998 /nfs/dbraw/zinc/23/29/98/221232998.db2.gz VYTVBCYEGOINDF-HNNXBMFYSA-N 1 0 361.442 2.011 50 0 FEAARO CC(C)(C)CNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067433340 221253911 /nfs/dbraw/zinc/25/39/11/221253911.db2.gz DRRHWUYXLMUADW-UHFFFAOYSA-N 1 0 360.502 2.476 50 0 FEAARO COCc1cc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)[nH]n1 ZINC000067643694 221265421 /nfs/dbraw/zinc/26/54/21/221265421.db2.gz IBMKMTJTHSSTLY-UHFFFAOYSA-N 1 0 350.426 2.271 50 0 FEAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067713276 221275366 /nfs/dbraw/zinc/27/53/66/221275366.db2.gz WXDZQEAVBNYZKU-HNNXBMFYSA-N 1 0 373.363 2.061 50 0 FEAARO COc1ccc(C)cc1NC(=O)CNc1cc(C2CC[NH2+]CC2)ncn1 ZINC000067739846 221278562 /nfs/dbraw/zinc/27/85/62/221278562.db2.gz YHFDMIQLRFTRLA-UHFFFAOYSA-N 1 0 355.442 2.311 50 0 FEAARO COc1cccc(OCc2cc(C(=O)N(C)C[C@@H]3CCC[NH2+]C3)n[nH]2)c1 ZINC000067805918 221289094 /nfs/dbraw/zinc/28/90/94/221289094.db2.gz UAONOFRNSPEWOF-CQSZACIVSA-N 1 0 358.442 2.069 50 0 FEAARO CC(C)[C@H](C)Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067804794 221289114 /nfs/dbraw/zinc/28/91/14/221289114.db2.gz JUKWWJCPKUEKPG-INIZCTEOSA-N 1 0 360.502 2.475 50 0 FEAARO Cc1cc(C)n(CC[NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)c(=O)n1 ZINC000067840949 221292643 /nfs/dbraw/zinc/29/26/43/221292643.db2.gz MUWDQZNAZDBTIK-LJQANCHMSA-N 1 0 368.481 2.031 50 0 FEAARO O=C1N[C@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1cccnc1 ZINC000067855078 221295437 /nfs/dbraw/zinc/29/54/37/221295437.db2.gz IMKIVUMGHPWVQF-OAQYLSRUSA-N 1 0 364.449 2.115 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCc3cscn3)cnn2c1 ZINC000067872439 221298047 /nfs/dbraw/zinc/29/80/47/221298047.db2.gz JEHBGIKBWDRJLL-UHFFFAOYSA-N 1 0 358.471 2.000 50 0 FEAARO C[NH2+]CCN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 ZINC000067872442 221298921 /nfs/dbraw/zinc/29/89/21/221298921.db2.gz WKWZUBREWRDOCV-GOSISDBHSA-N 1 0 370.501 2.019 50 0 FEAARO CC(C)COC(=O)N[C@H]1C[NH2+][C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1 ZINC000067895012 221302182 /nfs/dbraw/zinc/30/21/82/221302182.db2.gz PENGRDNSNULVKK-MOPGFXCFSA-N 1 0 371.481 2.415 50 0 FEAARO C[C@H](O)C[N@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000071753667 221363791 /nfs/dbraw/zinc/36/37/91/221363791.db2.gz RZSGSMAJCUHVOG-INIZCTEOSA-N 1 0 366.465 2.419 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CC=CC1 ZINC000071759657 221367104 /nfs/dbraw/zinc/36/71/04/221367104.db2.gz FEKNYJYFEVRBPR-LJQANCHMSA-N 1 0 354.498 2.156 50 0 FEAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cs1 ZINC000071762832 221370061 /nfs/dbraw/zinc/37/00/61/221370061.db2.gz YRUCXFFAUWERKN-HNNXBMFYSA-N 1 0 362.543 2.407 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3nc(C)n4ccccc34)CC2)n[nH]c1=O ZINC000071764377 221370921 /nfs/dbraw/zinc/37/09/21/221370921.db2.gz YBHDEVHUYMYETM-UHFFFAOYSA-N 1 0 354.458 2.002 50 0 FEAARO CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)C[NH+]1CCCC1)C2 ZINC000071767920 221372648 /nfs/dbraw/zinc/37/26/48/221372648.db2.gz VROARTQBCFOJLC-UHFFFAOYSA-N 1 0 365.481 2.190 50 0 FEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)cc3)CC2)C1 ZINC000071767944 221373056 /nfs/dbraw/zinc/37/30/56/221373056.db2.gz HYKLNOOWWAOSEM-FQEVSTJZSA-N 1 0 373.541 2.434 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3[nH]cnc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072152932 221430835 /nfs/dbraw/zinc/43/08/35/221430835.db2.gz XOSSXMYPQXXCGE-MISYRCLQSA-N 1 0 366.465 2.429 50 0 FEAARO Cc1ccc(OCc2occc2C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000072157499 221434062 /nfs/dbraw/zinc/43/40/62/221434062.db2.gz QEPGUXBAGHCQBY-HXUWFJFHSA-N 1 0 358.438 2.306 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCc2c3ccccc3[nH]c2C1 ZINC000072432000 221524187 /nfs/dbraw/zinc/52/41/87/221524187.db2.gz BDBXIVJUNGJODM-UHFFFAOYSA-N 1 0 363.465 2.375 50 0 FEAARO CNc1cc(C)[nH+]c(N2CCC[C@]3(CCC(=O)N(CCCOC)C3)C2)n1 ZINC000077470399 132186071 /nfs/dbraw/zinc/18/60/71/132186071.db2.gz DXFZWDGYTFCJOW-LJQANCHMSA-N 1 0 361.490 2.072 50 0 FEAARO Cc1ccc(N2CCC([N@@H+]3CC[C@]4(C3)CCCN(CCO)C4=O)CC2)cc1 ZINC000091594820 132202351 /nfs/dbraw/zinc/20/23/51/132202351.db2.gz BSIKBTZIGMJQNW-QFIPXVFZSA-N 1 0 371.525 2.271 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)C[C@@]1(O)C1CCC1 ZINC000091914795 132204814 /nfs/dbraw/zinc/20/48/14/132204814.db2.gz ZUMFCJRSZRXBFR-IERDGZPVSA-N 1 0 357.498 2.062 50 0 FEAARO Cc1ccc(CSc2nc(N)cc(N3CC[NH+](CCCO)CC3)n2)cc1 ZINC000095372411 132208892 /nfs/dbraw/zinc/20/88/92/132208892.db2.gz UPFKTZRCKMRJMK-UHFFFAOYSA-N 1 0 373.526 2.164 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CCc4ncccc4C3)CC2)c1 ZINC000095378111 132209051 /nfs/dbraw/zinc/20/90/51/132209051.db2.gz QQXIQPKBPPQCLX-UHFFFAOYSA-N 1 0 364.493 2.487 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)Cc3cnccn3)CC2)c1 ZINC000095378845 132209546 /nfs/dbraw/zinc/20/95/46/132209546.db2.gz WAJBXXREBVZUOS-SFHVURJKSA-N 1 0 367.497 2.045 50 0 FEAARO Cc1cccc(N2CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)c1C ZINC000176627293 132265482 /nfs/dbraw/zinc/26/54/82/132265482.db2.gz JHERDWJZTUZOJO-SFHVURJKSA-N 1 0 365.543 2.097 50 0 FEAARO CNc1cc(C)nc(N2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)n1 ZINC000106960345 132266095 /nfs/dbraw/zinc/26/60/95/132266095.db2.gz UQYFEKZKBCKQFA-GOSISDBHSA-N 1 0 355.486 2.208 50 0 FEAARO CC(C)CCN1C[C@@]2(CCC[N@H+](CCN3CCOCC3)C2)CCC1=O ZINC000091459216 542808428 /nfs/dbraw/zinc/80/84/28/542808428.db2.gz JRZGHEQSKVOEGI-FQEVSTJZSA-N 1 0 351.535 2.069 50 0 FEAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc3cc(OC)ccc3[nH]c1=O)C2 ZINC000091289584 542803686 /nfs/dbraw/zinc/80/36/86/542803686.db2.gz MNLAWNAQXPSYCW-WMLDXEAASA-N 1 0 369.465 2.370 50 0 FEAARO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@@H+](C1CSCCSC1)C2 ZINC000091526250 542811808 /nfs/dbraw/zinc/81/18/08/542811808.db2.gz VIVSEQNBAAAPPA-SFHVURJKSA-N 1 0 370.584 2.329 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc3cc(F)ccc3n1C)C2 ZINC000091563289 542813806 /nfs/dbraw/zinc/81/38/06/542813806.db2.gz GEQJKUPGUYQGRT-WMLDXEAASA-N 1 0 359.445 2.387 50 0 FEAARO NC(=O)CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091695694 542820234 /nfs/dbraw/zinc/82/02/34/542820234.db2.gz CHWGJDUYQDJGGW-SFHVURJKSA-N 1 0 355.482 2.123 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(N)nc2)C3)cc1 ZINC000091690262 542820664 /nfs/dbraw/zinc/82/06/64/542820664.db2.gz CSRRDIMKWSAWQH-FUHWJXTLSA-N 1 0 366.465 2.409 50 0 FEAARO Cc1cc(-c2cc(S(=O)(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c(C)s2)on1 ZINC000091747009 542823952 /nfs/dbraw/zinc/82/39/52/542823952.db2.gz VGKOUVAEIZAYND-OLZOCXBDSA-N 1 0 367.496 2.378 50 0 FEAARO O=C(CSc1ncccn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091848930 542828411 /nfs/dbraw/zinc/82/84/11/542828411.db2.gz YYYLYFTXDGENAN-DOTOQJQBSA-N 1 0 369.494 2.087 50 0 FEAARO OC[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)C[C@H]1CN1CCOCC1 ZINC000091808659 542826886 /nfs/dbraw/zinc/82/68/86/542826886.db2.gz YXOGCCNGJCSNDZ-WOJBJXKFSA-N 1 0 374.525 2.381 50 0 FEAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCc1cnn(C)c1)C2 ZINC000091892855 542829791 /nfs/dbraw/zinc/82/97/91/542829791.db2.gz ZJUXXMDGEXIQQM-ZWKOTPCHSA-N 1 0 371.485 2.081 50 0 FEAARO Cc1noc(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091872285 542830158 /nfs/dbraw/zinc/83/01/58/542830158.db2.gz PQWBTACYIJDGKH-FUHWJXTLSA-N 1 0 361.486 2.326 50 0 FEAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCc2cccc(-c3ccccc3)c2)C1 ZINC000091988233 542835777 /nfs/dbraw/zinc/83/57/77/542835777.db2.gz IWWQBXCWMATZGI-IBGZPJMESA-N 1 0 351.450 2.167 50 0 FEAARO COCCC[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2OC)[C@@H](C2CC2)C1 ZINC000092065201 542841950 /nfs/dbraw/zinc/84/19/50/542841950.db2.gz SQESNTFLDUFWHW-SJORKVTESA-N 1 0 350.434 2.311 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccnn2C)C3)cc1 ZINC000095369173 542961665 /nfs/dbraw/zinc/96/16/65/542961665.db2.gz UNATYOMDKYWTRR-DLBZAZTESA-N 1 0 354.454 2.165 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)[C@H]2CCCN(c3ncccn3)C2)[NH+](C)C)cc1 ZINC000058193682 136130926 /nfs/dbraw/zinc/13/09/26/136130926.db2.gz FRJKXSKPWMLRDG-RBUKOAKNSA-N 1 0 367.497 2.421 50 0 FEAARO O=C(NCc1nnc2n1CCCCC2)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095368320 542962193 /nfs/dbraw/zinc/96/21/93/542962193.db2.gz GTPULWYHMOYLBD-OAHLLOKOSA-N 1 0 357.458 2.126 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000064593948 136133406 /nfs/dbraw/zinc/13/34/06/136133406.db2.gz SDEUJEAYCREJOJ-UHFFFAOYSA-N 1 0 359.861 2.467 50 0 FEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1C ZINC000071745634 136139867 /nfs/dbraw/zinc/13/98/67/136139867.db2.gz NGMGQCHAJXNUDP-SFHVURJKSA-N 1 0 371.529 2.397 50 0 FEAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071765210 136140929 /nfs/dbraw/zinc/14/09/29/136140929.db2.gz WDXCDGXSNWUNJE-GOSISDBHSA-N 1 0 371.529 2.397 50 0 FEAARO CC(C)n1cc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000095374119 542963854 /nfs/dbraw/zinc/96/38/54/542963854.db2.gz ODVNTNIUGRWWFA-NRFANRHFSA-N 1 0 373.545 2.373 50 0 FEAARO COCCCN1CC2(CC1=O)CCN(Cc1[nH+]c(C)n3ccccc13)CC2 ZINC000095352810 542957685 /nfs/dbraw/zinc/95/76/85/542957685.db2.gz PMLFYRHBMGPXAB-UHFFFAOYSA-N 1 0 370.497 2.494 50 0 FEAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCc1cn2c(n1)SCC2 ZINC000095356434 542957947 /nfs/dbraw/zinc/95/79/47/542957947.db2.gz JQKHEWKWCQVJCZ-UHFFFAOYSA-N 1 0 356.495 2.485 50 0 FEAARO c1cnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000095383114 542965286 /nfs/dbraw/zinc/96/52/86/542965286.db2.gz KYCNYQKZZKLPLU-KFKAGJAMSA-N 1 0 350.422 2.272 50 0 FEAARO NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095384621 542965924 /nfs/dbraw/zinc/96/59/24/542965924.db2.gz VFZAHCAAKLOBJX-FQEVSTJZSA-N 1 0 365.477 2.499 50 0 FEAARO Cc1nccn1Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384232 542966460 /nfs/dbraw/zinc/96/64/60/542966460.db2.gz YOJWFUHNBWWJHD-KRWDZBQOSA-N 1 0 366.469 2.454 50 0 FEAARO CC[NH+]1CCC(CC(=O)N2CCC[C@@H](c3nc(CCOC)no3)C2)CC1 ZINC000095378130 542964392 /nfs/dbraw/zinc/96/43/92/542964392.db2.gz YNAILLOQCFDRKA-MRXNPFEDSA-N 1 0 364.490 2.087 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000095377771 542964575 /nfs/dbraw/zinc/96/45/75/542964575.db2.gz OLBGDJVWYILWSX-LJQANCHMSA-N 1 0 359.514 2.474 50 0 FEAARO COc1ccc(CN2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2=O)cc1 ZINC000095391680 542968403 /nfs/dbraw/zinc/96/84/03/542968403.db2.gz NOLXPYXLFHCJSH-GOSISDBHSA-N 1 0 373.497 2.131 50 0 FEAARO Cc1nc(CN2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC000095388339 542967552 /nfs/dbraw/zinc/96/75/52/542967552.db2.gz RFXJFTRHPMMDCI-QGZVFWFLSA-N 1 0 350.532 2.360 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c(CC)c1C)CC2 ZINC000095497256 542973547 /nfs/dbraw/zinc/97/35/47/542973547.db2.gz YOIATUVXXMCREW-UHFFFAOYSA-N 1 0 370.501 2.403 50 0 FEAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095503398 542974975 /nfs/dbraw/zinc/97/49/75/542974975.db2.gz SWUIVCWUDVERQG-UHFFFAOYSA-N 1 0 350.459 2.323 50 0 FEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cnon1 ZINC000095505142 542976356 /nfs/dbraw/zinc/97/63/56/542976356.db2.gz SDOCYCUCIRXTMK-QGZVFWFLSA-N 1 0 372.469 2.495 50 0 FEAARO CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095509524 542976725 /nfs/dbraw/zinc/97/67/25/542976725.db2.gz BWHXTOYPVWUPDQ-CYBMUJFWSA-N 1 0 371.403 2.283 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000095507815 542977187 /nfs/dbraw/zinc/97/71/87/542977187.db2.gz ZILTYQHNOVZLMR-SFHVURJKSA-N 1 0 370.497 2.489 50 0 FEAARO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2nccn2Cc2ccccn2)C1 ZINC000095511973 542977512 /nfs/dbraw/zinc/97/75/12/542977512.db2.gz VWJZKNJXYQAUQB-KRWDZBQOSA-N 1 0 353.470 2.128 50 0 FEAARO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 ZINC000095511972 542977826 /nfs/dbraw/zinc/97/78/26/542977826.db2.gz VWJZKNJXYQAUQB-QGZVFWFLSA-N 1 0 353.470 2.128 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1sc(N)nc1C)CC2 ZINC000095519347 542978960 /nfs/dbraw/zinc/97/89/60/542978960.db2.gz KPBWJGHHBKXGAT-UHFFFAOYSA-N 1 0 374.514 2.156 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(N)n[nH]2)C1 ZINC000095526274 542981025 /nfs/dbraw/zinc/98/10/25/542981025.db2.gz NIJPHNOZGSXRJW-HNNXBMFYSA-N 1 0 371.485 2.027 50 0 FEAARO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000108347438 543287050 /nfs/dbraw/zinc/28/70/50/543287050.db2.gz DNYOJFFDJNDMGF-WBVHZDCISA-N 1 0 362.499 2.266 50 0 FEAARO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000126253288 543926228 /nfs/dbraw/zinc/92/62/28/543926228.db2.gz ZFBBRBQUBYFJNO-QFBILLFUSA-N 1 0 367.497 2.451 50 0 FEAARO CCOCc1nc2c(c(N3CCOc4ccccc4C3)n1)CC[NH2+]CC2 ZINC000072468709 221542521 /nfs/dbraw/zinc/54/25/21/221542521.db2.gz HBPZROQYRRAGCB-UHFFFAOYSA-N 1 0 354.454 2.100 50 0 FEAARO C[C@H](CC[NH+]1CCC2(CCC(=O)N(CC(N)=O)C2)CC1)c1ccccc1 ZINC000091694175 221785223 /nfs/dbraw/zinc/78/52/23/221785223.db2.gz UENOTXMNQWVHSN-QGZVFWFLSA-N 1 0 357.498 2.370 50 0 FEAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1ccsc1)CC2 ZINC000091907179 221813876 /nfs/dbraw/zinc/81/38/76/221813876.db2.gz ULTLTVWRFBFCER-SJORKVTESA-N 1 0 366.527 2.001 50 0 FEAARO CC(C)NC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095383798 221887554 /nfs/dbraw/zinc/88/75/54/221887554.db2.gz RIEIBOVSLHSPLI-KFKAGJAMSA-N 1 0 357.454 2.395 50 0 FEAARO CN(Cc1ccccc1C(F)(F)F)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095531149 221958959 /nfs/dbraw/zinc/95/89/59/221958959.db2.gz LGZKQIIKTSFJTA-KGLIPLIRSA-N 1 0 369.387 2.017 50 0 FEAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1c[nH]c(=O)cc1O)CC2 ZINC000096141156 222045466 /nfs/dbraw/zinc/04/54/66/222045466.db2.gz GDHAOIFFXQJGES-MRXNPFEDSA-N 1 0 367.449 2.175 50 0 FEAARO OCCn1nc(COc2cccc(F)c2)nc1CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000096165042 222064528 /nfs/dbraw/zinc/06/45/28/222064528.db2.gz XJSLFCTTZYHONK-ZBFHGGJFSA-N 1 0 360.433 2.015 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC(=O)OC12CCCCC2 ZINC000097137673 222163162 /nfs/dbraw/zinc/16/31/62/222163162.db2.gz RIZVOSLSDWVVDN-SFHVURJKSA-N 1 0 371.481 2.428 50 0 FEAARO CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000097360264 222177330 /nfs/dbraw/zinc/17/73/30/222177330.db2.gz JIRWOICUTUHOQP-INIZCTEOSA-N 1 0 373.478 2.142 50 0 FEAARO Cc1c(C(=O)NCCSCc2ccc(C[NH+](C)C)o2)cnc2ccnn21 ZINC000097631920 222200040 /nfs/dbraw/zinc/20/00/40/222200040.db2.gz GHJGJMSIQLBFGO-UHFFFAOYSA-N 1 0 373.482 2.356 50 0 FEAARO O=c1cc(C[NH2+]Cc2ccccc2)nc2[nH]c(NCc3cccs3)nn21 ZINC000101797111 222284689 /nfs/dbraw/zinc/28/46/89/222284689.db2.gz RRMAAEHMAMHJDG-UHFFFAOYSA-N 1 0 366.450 2.381 50 0 FEAARO Cc1ccccc1OCC(=O)N1CCC(C[N@H+]2CCN(C)C[C@H]2C)CC1 ZINC000107286124 222392701 /nfs/dbraw/zinc/39/27/01/222392701.db2.gz OSSHXRHMPSMKNG-GOSISDBHSA-N 1 0 359.514 2.248 50 0 FEAARO Cc1ccc(C)c(CC(=O)N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)c1 ZINC000092098298 263427700 /nfs/dbraw/zinc/42/77/00/263427700.db2.gz ZHVUQKVELRLBBJ-CTNGQTDRSA-N 1 0 374.525 2.168 50 0 FEAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)CCn2c(C)cccc2=O)C1 ZINC000426545156 263628367 /nfs/dbraw/zinc/62/83/67/263628367.db2.gz WHRBIDXCFIBFLF-IBGZPJMESA-N 1 0 367.493 2.461 50 0 FEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1CCC(n2cnnc2)CC1 ZINC000426582871 263639002 /nfs/dbraw/zinc/63/90/02/263639002.db2.gz ROHOWWPIXGLVQY-UHFFFAOYSA-N 1 0 363.849 2.136 50 0 FEAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@@H](C)c2nc(-c3ccccn3)no2)c1 ZINC000426627620 263646826 /nfs/dbraw/zinc/64/68/26/263646826.db2.gz DHJAZEBQQMNBQM-ZDUSSCGKSA-N 1 0 367.409 2.269 50 0 FEAARO Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C2)no1 ZINC000171406483 327137480 /nfs/dbraw/zinc/13/74/80/327137480.db2.gz AWOXSIHPTVVAIN-CYBMUJFWSA-N 1 0 373.844 2.494 50 0 FEAARO CC(=O)c1ccc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1 ZINC000091585969 518335544 /nfs/dbraw/zinc/33/55/44/518335544.db2.gz GLZDBMKLXVMLPZ-UHFFFAOYSA-N 1 0 358.482 2.476 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc4nccnc4c3)cc2C1 ZINC000082135127 519855578 /nfs/dbraw/zinc/85/55/78/519855578.db2.gz VTVIQOCWKHRTEZ-UHFFFAOYSA-N 1 0 364.453 2.372 50 0 FEAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000020033139 521481905 /nfs/dbraw/zinc/48/19/05/521481905.db2.gz SFSLLQOQJTZMGD-KRWDZBQOSA-N 1 0 370.380 2.424 50 0 FEAARO CCCN(CC[NH+](C)C)C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000078710666 521654493 /nfs/dbraw/zinc/65/44/93/521654493.db2.gz KCXHUSPGJKXNJH-UHFFFAOYSA-N 1 0 362.449 2.104 50 0 FEAARO CC[NH+]1CCN(CCOCCOc2ccccc2Br)CC1 ZINC000020390098 521684102 /nfs/dbraw/zinc/68/41/02/521684102.db2.gz WVSPSMHBXAZPEN-UHFFFAOYSA-N 1 0 357.292 2.482 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000091596028 523620920 /nfs/dbraw/zinc/62/09/20/523620920.db2.gz AHFWPDWDJDEISE-CVEARBPZSA-N 1 0 368.905 2.297 50 0 FEAARO CN1C(=O)C[C@H](C(=O)N2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000158036690 523703931 /nfs/dbraw/zinc/70/39/31/523703931.db2.gz ZHCADXYTPLSZEW-DZKIICNBSA-N 1 0 369.387 2.175 50 0 FEAARO CN(C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000179121905 523960197 /nfs/dbraw/zinc/96/01/97/523960197.db2.gz ZMVIFBMGZIWFAG-SNVBAGLBSA-N 1 0 356.323 2.464 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000269673266 525011824 /nfs/dbraw/zinc/01/18/24/525011824.db2.gz XWECMAMLCBWCFA-DGCLKSJQSA-N 1 0 361.305 2.338 50 0 FEAARO Cc1ccccc1-c1ncc(Cn2ncc(N3CC[NH2+]CC3)cc2=O)s1 ZINC000020919383 525013760 /nfs/dbraw/zinc/01/37/60/525013760.db2.gz BWSLZIDGSYXQFV-UHFFFAOYSA-N 1 0 367.478 2.133 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000237572107 525014920 /nfs/dbraw/zinc/01/49/20/525014920.db2.gz IOHIAPROXXXMJA-MBOZVWFJSA-N 1 0 371.525 2.302 50 0 FEAARO Cc1c(C(=O)N(C)[C@H]2CC[NH2+]C2)cnn1-c1cccc(Br)c1 ZINC000179072928 525560681 /nfs/dbraw/zinc/56/06/81/525560681.db2.gz CITVCXSUTBCFBN-AWEZNQCLSA-N 1 0 363.259 2.377 50 0 FEAARO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000179075238 525924741 /nfs/dbraw/zinc/92/47/41/525924741.db2.gz OCRUSGJVVHXJHB-ZDUSSCGKSA-N 1 0 363.259 2.377 50 0 FEAARO Cc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(=O)n1C ZINC000082114325 526095601 /nfs/dbraw/zinc/09/56/01/526095601.db2.gz ISUNSOFPYDAVCY-UHFFFAOYSA-N 1 0 367.493 2.474 50 0 FEAARO c1nnc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1CCc1ccccc1 ZINC000082108077 526622883 /nfs/dbraw/zinc/62/28/83/526622883.db2.gz VTWQJHPIWFAVLN-GOSISDBHSA-N 1 0 356.470 2.339 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1ccc[nH]c1=O ZINC000082087399 526645684 /nfs/dbraw/zinc/64/56/84/526645684.db2.gz XHZZALHHKQSGIF-UHFFFAOYSA-N 1 0 369.469 2.452 50 0 FEAARO O=C1[C@H](c2ccccc2)CC2(CC[NH+](CCOCCO)CC2)CN1C1CC1 ZINC000091593784 527116352 /nfs/dbraw/zinc/11/63/52/527116352.db2.gz AHKZZHISHPTVOT-FQEVSTJZSA-N 1 0 372.509 2.256 50 0 FEAARO OCCCc1cn(C2CC[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3)CC2)nn1 ZINC000019940161 527546469 /nfs/dbraw/zinc/54/64/69/527546469.db2.gz HZNDSGWJJMBCMQ-HXUWFJFHSA-N 1 0 373.476 2.258 50 0 FEAARO CC1(C)NC(=O)N(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1=O ZINC000041626298 534978413 /nfs/dbraw/zinc/97/84/13/534978413.db2.gz OROITRWADQOKMG-UHFFFAOYSA-N 1 0 364.877 2.183 50 0 FEAARO COCc1nnc(-c2cccc(C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)c2)o1 ZINC000170612269 546165713 /nfs/dbraw/zinc/16/57/13/546165713.db2.gz YRGPLKYBBUFFTO-INIZCTEOSA-N 1 0 358.442 2.295 50 0 FEAARO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(-n2cnnn2)c1C ZINC000170613495 546165854 /nfs/dbraw/zinc/16/58/54/546165854.db2.gz UEDDFTISKWITJA-AEFFLSMTSA-N 1 0 368.485 2.273 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)[C@@H]1c1ccccc1 ZINC000180115469 547054593 /nfs/dbraw/zinc/05/45/93/547054593.db2.gz GBXJTYPIMXXRRX-XQLPTFJDSA-N 1 0 369.387 2.005 50 0 FEAARO CC1(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000181288047 547286743 /nfs/dbraw/zinc/28/67/43/547286743.db2.gz HGSUXVDIQDVJEI-UHFFFAOYSA-N 1 0 351.834 2.144 50 0 FEAARO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000188175074 548273511 /nfs/dbraw/zinc/27/35/11/548273511.db2.gz PREHEIVQXMHQPU-MRXNPFEDSA-N 1 0 356.474 2.005 50 0 FEAARO CC(C)[N@@H+]1CC[C@@H](CN(C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818248 548674798 /nfs/dbraw/zinc/67/47/98/548674798.db2.gz ILDUDZWIBHMTAA-HNNXBMFYSA-N 1 0 353.894 2.366 50 0 FEAARO COCc1nc(NCc2cnc3c(C)cccn23)cc(C2CC([NH3+])C2)n1 ZINC000219509138 548695017 /nfs/dbraw/zinc/69/50/17/548695017.db2.gz URVOBIFYGJGCLB-UHFFFAOYSA-N 1 0 352.442 2.396 50 0 FEAARO C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC000221199547 548703781 /nfs/dbraw/zinc/70/37/81/548703781.db2.gz WITUCQFSKSTQII-CQSZACIVSA-N 1 0 351.410 2.168 50 0 FEAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3sccc3[nH]1)C2 ZINC000222655289 548710483 /nfs/dbraw/zinc/71/04/83/548710483.db2.gz NUOBCZDSAMOZJV-INIZCTEOSA-N 1 0 373.482 2.067 50 0 FEAARO O=C(N[C@@H]1CCOC[C@H]1Oc1ccccn1)c1ccc(C[NH+]2CCCC2)o1 ZINC000223353156 548719190 /nfs/dbraw/zinc/71/91/90/548719190.db2.gz KWFMJIGJEHJSOM-SJLPKXTDSA-N 1 0 371.437 2.237 50 0 FEAARO O=C(C[NH+]1CCCCCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 ZINC000223561335 548720484 /nfs/dbraw/zinc/72/04/84/548720484.db2.gz DKKZRPHUVWYWCO-NGICGMGXSA-N 1 0 358.482 2.426 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@@]21c2cc(C)ccc2NC1=O ZINC000227129336 548750498 /nfs/dbraw/zinc/75/04/98/548750498.db2.gz VCHIEKONPXTXBN-DFVSYVKXSA-N 1 0 367.449 2.020 50 0 FEAARO O=C(NCc1ccco1)c1cccc(CN2CC[C@@H]3CCOC(=O)[C@H]32)c1 ZINC000230205467 548759265 /nfs/dbraw/zinc/75/92/65/548759265.db2.gz LJCLZAQKVHPGQT-QAPCUYQASA-N 1 0 354.406 2.347 50 0 FEAARO COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237157385 548805307 /nfs/dbraw/zinc/80/53/07/548805307.db2.gz XWYSBTFFSBBNIC-ZFWWWQNUSA-N 1 0 369.259 2.110 50 0 FEAARO Cc1ccc(N2CC[C@H](C(=O)N3CCC(OCCC[NH3+])CC3)C2=O)cc1C ZINC000237638898 548841773 /nfs/dbraw/zinc/84/17/73/548841773.db2.gz GGQXRJBZYDONOC-LJQANCHMSA-N 1 0 373.497 2.013 50 0 FEAARO O=C([C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[NH2+]CC1 ZINC000237716237 548846611 /nfs/dbraw/zinc/84/66/11/548846611.db2.gz WMKGIMXYBWMJFU-GFCCVEGCSA-N 1 0 356.253 2.168 50 0 FEAARO Cc1noc([C@@H]2CCCCN2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000241081926 548884656 /nfs/dbraw/zinc/88/46/56/548884656.db2.gz YSPTUOYIHQGSJN-HNNXBMFYSA-N 1 0 370.413 2.103 50 0 FEAARO Cn1ncc2cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc(O)c21 ZINC000241897129 548885569 /nfs/dbraw/zinc/88/55/69/548885569.db2.gz TVVHWQHPEOBRGL-KRWDZBQOSA-N 1 0 350.422 2.283 50 0 FEAARO C[N@@H+]1CCN2CCN(C(=O)CSCc3ccccc3Cl)C[C@H]2C1 ZINC000244708345 548892948 /nfs/dbraw/zinc/89/29/48/548892948.db2.gz KRYUDLKZLHHUKR-OAHLLOKOSA-N 1 0 353.919 2.031 50 0 FEAARO O=C(N1CCN(Cc2ccccc2)C(=O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000244718807 548893725 /nfs/dbraw/zinc/89/37/25/548893725.db2.gz LREFOWCEEDEAHL-UHFFFAOYSA-N 1 0 355.482 2.266 50 0 FEAARO Cc1ccc2[nH]c(CCNc3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)nc2c1C ZINC000244858684 548896933 /nfs/dbraw/zinc/89/69/33/548896933.db2.gz VQINVVHMOLGGFL-BETUJISGSA-N 1 0 351.458 2.411 50 0 FEAARO O=C(N[C@@H]1CCCNC1=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000252483276 549667740 /nfs/dbraw/zinc/66/77/40/549667740.db2.gz DYHUMZCKQUCNDU-HXUWFJFHSA-N 1 0 363.461 2.253 50 0 FEAARO C[N@@H+](CCN1CCO[C@@H]2CCCC[C@H]21)CCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000252512065 549671923 /nfs/dbraw/zinc/67/19/23/549671923.db2.gz MARNIHIDPVBCJS-PLACYPQZSA-N 1 0 365.562 2.205 50 0 FEAARO Cc1cc(C)n(-c2cccc(NC(=O)N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)c2)n1 ZINC000252528019 549672930 /nfs/dbraw/zinc/67/29/30/549672930.db2.gz DYHLXPFFIHQRJG-IRXDYDNUSA-N 1 0 371.485 2.408 50 0 FEAARO CCn1c(CN2CCC(C(=O)N3CC[NH2+][C@@H](C)C3)CC2)nc2ccccc21 ZINC000253602780 549698498 /nfs/dbraw/zinc/69/84/98/549698498.db2.gz FLJRIOZYAMRJFL-INIZCTEOSA-N 1 0 369.513 2.089 50 0 FEAARO CC(=O)N1CCc2nnc([C@@H]3CC[N@H+](Cc4cc(C)ccc4C)C3)n2CC1 ZINC000257185347 549713735 /nfs/dbraw/zinc/71/37/35/549713735.db2.gz JKYQDQQBBKUODN-GOSISDBHSA-N 1 0 367.497 2.289 50 0 FEAARO CC(=O)N1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257193782 549715282 /nfs/dbraw/zinc/71/52/82/549715282.db2.gz ZRGZUYYAJZJTHS-LJQANCHMSA-N 1 0 353.470 2.484 50 0 FEAARO Cc1ccc(CC(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)cc1 ZINC000257194177 549715404 /nfs/dbraw/zinc/71/54/04/549715404.db2.gz SSPZIZMADOGJOY-KRWDZBQOSA-N 1 0 352.425 2.230 50 0 FEAARO Cc1c(Cl)cccc1NC(=O)NC[C@@]1(N2CCOCC2)CCOC1 ZINC000257197223 549716934 /nfs/dbraw/zinc/71/69/34/549716934.db2.gz ZRKSPBQGDJEYNK-KRWDZBQOSA-N 1 0 353.850 2.261 50 0 FEAARO Cc1noc(C)c1C(C)(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000280665397 551019153 /nfs/dbraw/zinc/01/91/53/551019153.db2.gz XONFRHWMOCZVCD-UHFFFAOYSA-N 1 0 371.485 2.032 50 0 FEAARO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1 ZINC000289347236 552305160 /nfs/dbraw/zinc/30/51/60/552305160.db2.gz IPWINFHRJKBDHJ-UHFFFAOYSA-N 1 0 362.499 2.146 50 0 FEAARO C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)CC[N@@H+](C2CC2)C1 ZINC000297686817 553324865 /nfs/dbraw/zinc/32/48/65/553324865.db2.gz XKLCEZVQCIAUGG-IEZWGBDMSA-N 1 0 358.486 2.427 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)Cn3nc(C)c(CC)c3C)cc2C1 ZINC000299785301 553614611 /nfs/dbraw/zinc/61/46/11/553614611.db2.gz XURDXRCUAPBPHD-UHFFFAOYSA-N 1 0 372.517 2.191 50 0 FEAARO COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1=O ZINC000332859489 554531989 /nfs/dbraw/zinc/53/19/89/554531989.db2.gz AVULQLCBFNAUGW-RDJZCZTQSA-N 1 0 371.481 2.123 50 0 FEAARO COc1ccc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)cc1OCC[NH3+] ZINC000426491620 559735740 /nfs/dbraw/zinc/73/57/40/559735740.db2.gz ZUPJVEKVQHTIQW-ZDUSSCGKSA-N 1 0 373.457 2.230 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccccc2OC)C(=O)C1 ZINC000426530351 559736923 /nfs/dbraw/zinc/73/69/23/559736923.db2.gz CFXJZJMSUPKASJ-MRXNPFEDSA-N 1 0 359.470 2.135 50 0 FEAARO CC(C)c1nc(CCNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)cs1 ZINC000426615616 559738984 /nfs/dbraw/zinc/73/89/84/559738984.db2.gz XQYMYYVICRSKAS-CQSZACIVSA-N 1 0 361.515 2.289 50 0 FEAARO CN(Cc1cnccn1)C(=O)NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000426633855 559739245 /nfs/dbraw/zinc/73/92/45/559739245.db2.gz INHYNLIYCVBOLX-SFHVURJKSA-N 1 0 353.470 2.498 50 0 FEAARO Cc1nn(C)c(C)c1CN(C(=O)c1ccc(C)c(OCC[NH3+])c1)C1CC1 ZINC000426642893 559739464 /nfs/dbraw/zinc/73/94/64/559739464.db2.gz MNTLTWXTBNNNSF-UHFFFAOYSA-N 1 0 356.470 2.488 50 0 FEAARO C[NH+]1CCN(CCNC(=O)N(CCc2ccccc2)C2CCCC2)CC1 ZINC000426699881 559740543 /nfs/dbraw/zinc/74/05/43/559740543.db2.gz HBNZJGIIKVQJAS-UHFFFAOYSA-N 1 0 358.530 2.431 50 0 FEAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccnc3N)CC2)cc1 ZINC000450449472 560262638 /nfs/dbraw/zinc/26/26/38/560262638.db2.gz CHMINVZVUBXGEQ-UHFFFAOYSA-N 1 0 354.454 2.201 50 0 FEAARO CC[NH+]1CCN(CC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)CC1 ZINC000467989151 560920846 /nfs/dbraw/zinc/92/08/46/560920846.db2.gz TUBLPRBAIUIPTC-UHFFFAOYSA-N 1 0 370.453 2.416 50 0 FEAARO CC(C)[C@H]1C=CCN1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000534588211 562537593 /nfs/dbraw/zinc/53/75/93/562537593.db2.gz MIBIIVDKHXKDLH-HXUWFJFHSA-N 1 0 356.514 2.410 50 0 FEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000534589467 562537626 /nfs/dbraw/zinc/53/76/26/562537626.db2.gz QLUXOGGRHFXLDW-OYRHEFFESA-N 1 0 368.525 2.412 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N3CCC[C@H](COC)C3)cc2C1 ZINC000534590003 562537740 /nfs/dbraw/zinc/53/77/40/562537740.db2.gz JOEQNMGYXNOGAG-INIZCTEOSA-N 1 0 363.506 2.067 50 0 FEAARO O=C(NCCCc1ccccc1F)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000534649378 562539147 /nfs/dbraw/zinc/53/91/47/562539147.db2.gz FZHXUOKUIPHDRQ-SFHVURJKSA-N 1 0 363.477 2.247 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(OC)cc(OC)n2)cc1 ZINC000426477666 570606877 /nfs/dbraw/zinc/60/68/77/570606877.db2.gz DGXBSELZKJQTAC-MRXNPFEDSA-N 1 0 370.453 2.375 50 0 FEAARO Cc1csc2nc(C[N@H+]3CCC[C@@H](C(=O)NCC(C)C)C3)cc(=O)n12 ZINC000048287260 570940679 /nfs/dbraw/zinc/94/06/79/570940679.db2.gz XHBSSPZTFFEPLY-CQSZACIVSA-N 1 0 362.499 2.049 50 0 FEAARO CC(C)c1csc(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)n1 ZINC000039489643 571089363 /nfs/dbraw/zinc/08/93/63/571089363.db2.gz GLZSORYSHURQFT-QGZVFWFLSA-N 1 0 366.575 2.229 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3CC4(CCC4)[C@@H]3[C@H]3CCCO3)c[nH]2)CC1 ZINC000685941772 571102062 /nfs/dbraw/zinc/10/20/62/571102062.db2.gz IHMPDYXXZQEAEQ-SJORKVTESA-N 1 0 358.486 2.393 50 0 FEAARO Cc1nc(-n2nc(C)c(Cl)c2C)sc1C(=O)N1CCN(C)CC1 ZINC000035476084 571148110 /nfs/dbraw/zinc/14/81/10/571148110.db2.gz QVIGOPLWFSVQNK-UHFFFAOYSA-N 1 0 353.879 2.295 50 0 FEAARO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2nccnc2n1 ZINC000423512149 571150714 /nfs/dbraw/zinc/15/07/14/571150714.db2.gz QQYTWRIHIFTMOF-WMLDXEAASA-N 1 0 351.385 2.039 50 0 FEAARO Cc1nc(CNC(=O)c2ccc(Cl)cc2OCCC[NH3+])n(C)c1C ZINC000426445558 571226055 /nfs/dbraw/zinc/22/60/55/571226055.db2.gz MCPLFVVDTLGIFN-UHFFFAOYSA-N 1 0 350.850 2.348 50 0 FEAARO CCOC(=O)N1CC[C@H]([NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)C1 ZINC000584887269 571313983 /nfs/dbraw/zinc/31/39/83/571313983.db2.gz NKYBCNYRXQEQSG-HNNXBMFYSA-N 1 0 357.454 2.227 50 0 FEAARO CC(C)n1ncnc1-c1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000584892201 571314794 /nfs/dbraw/zinc/31/47/94/571314794.db2.gz DZSQPCSBETWJGH-SFHVURJKSA-N 1 0 371.485 2.103 50 0 FEAARO COc1ccccc1C1CCN(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000584896095 571315343 /nfs/dbraw/zinc/31/53/43/571315343.db2.gz AAPDMKBFVVGIMS-KRWDZBQOSA-N 1 0 374.529 2.220 50 0 FEAARO Cc1cc2n(n1)CCN(C(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1)C2 ZINC000584899363 571315891 /nfs/dbraw/zinc/31/58/91/571315891.db2.gz PNHZRRXXWIIVGQ-LJQANCHMSA-N 1 0 368.485 2.339 50 0 FEAARO CCc1nnc(CNC(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)s1 ZINC000670439658 571348322 /nfs/dbraw/zinc/34/83/22/571348322.db2.gz CZQBUOCICWVZLR-UHFFFAOYSA-N 1 0 374.514 2.302 50 0 FEAARO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000670441597 571348990 /nfs/dbraw/zinc/34/89/90/571348990.db2.gz IVTSSZPSDCYQHC-HXUWFJFHSA-N 1 0 358.530 2.429 50 0 FEAARO Nc1nc(CNc2ncnc3c2CC[N@H+](Cc2ccoc2)CC3)cs1 ZINC000072473456 670495594 /nfs/dbraw/zinc/49/55/94/670495594.db2.gz KMDJJUBLDOHOJI-UHFFFAOYSA-N 1 0 356.455 2.321 50 0 FEAARO COC[C@@H]1CN(S(=O)(=O)Cc2ccc(C)c(C)c2)CC12CC[NH2+]CC2 ZINC000169782341 672322143 /nfs/dbraw/zinc/32/21/43/672322143.db2.gz INOWXQZKKSRXAE-SFHVURJKSA-N 1 0 366.527 2.081 50 0 FEAARO COC[C@@H]1CN(C(=O)Cc2ccc(OC)c(Cl)c2)CC12CC[NH2+]CC2 ZINC000169783605 672322174 /nfs/dbraw/zinc/32/21/74/672322174.db2.gz ZCUKHVCSUFLDFP-HNNXBMFYSA-N 1 0 366.889 2.366 50 0 FEAARO CCN(C[C@H]1CC[N@H+](CC)C1)S(=O)(=O)c1cc(OC)c(C)cc1OC ZINC000952966624 681792754 /nfs/dbraw/zinc/79/27/54/681792754.db2.gz XKFACNOVMUICKZ-HNNXBMFYSA-N 1 0 370.515 2.365 50 0 FEAARO C[NH+](C)CCNC(=S)Nn1cnc2scc(-c3ccccc3)c2c1=O ZINC000003345840 539363674 /nfs/dbraw/zinc/36/36/74/539363674.db2.gz XXUUFZYNODFBPM-UHFFFAOYSA-N 1 0 373.507 2.105 50 0 FEAARO COc1ccccc1CN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000215305620 222644858 /nfs/dbraw/zinc/64/48/58/222644858.db2.gz GBTWESWCMNMBNJ-IBGZPJMESA-N 1 0 358.413 2.352 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000004122538 539377592 /nfs/dbraw/zinc/37/75/92/539377592.db2.gz KFFWIXFEEUVKQH-UHFFFAOYSA-N 1 0 353.422 2.462 50 0 FEAARO O[C@H](COC[C@@H]1COc2ccccc2O1)C[N@@H+]1CCc2ccccc2C1 ZINC000004144504 539377864 /nfs/dbraw/zinc/37/78/64/539377864.db2.gz HQPGNKIUOKFOLY-RBUKOAKNSA-N 1 0 355.434 2.262 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000227922971 210176638 /nfs/dbraw/zinc/17/66/38/210176638.db2.gz QWGFLCBRZTUHGY-SNVBAGLBSA-N 1 0 365.268 2.208 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067595 539401143 /nfs/dbraw/zinc/40/11/43/539401143.db2.gz MSJRYDSABXPAOZ-INIZCTEOSA-N 1 0 371.481 2.298 50 0 FEAARO CCc1cc(=O)oc2cc(OCC(=O)NCCC[NH+](C)C)c(Cl)cc12 ZINC000005322077 539408046 /nfs/dbraw/zinc/40/80/46/539408046.db2.gz VRDMBQRBWGMTRR-UHFFFAOYSA-N 1 0 366.845 2.456 50 0 FEAARO Cn1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2ccccc2c1=O ZINC000006335617 539425784 /nfs/dbraw/zinc/42/57/84/539425784.db2.gz JSMXUJMMMNOHRI-INIZCTEOSA-N 1 0 366.421 2.093 50 0 FEAARO O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000006809591 539438509 /nfs/dbraw/zinc/43/85/09/539438509.db2.gz HTCDBGQRFYGWGB-SJORKVTESA-N 1 0 372.918 2.386 50 0 FEAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000010111670 539512889 /nfs/dbraw/zinc/51/28/89/539512889.db2.gz DZZXFNLNPWKZSX-UHFFFAOYSA-N 1 0 361.467 2.087 50 0 FEAARO CN(C(=O)c1coc(COc2cccc(F)c2F)n1)[C@@H]1CC[N@H+](C)C1 ZINC000011761650 539535050 /nfs/dbraw/zinc/53/50/50/539535050.db2.gz XUGOUPIZHKFIDA-LLVKDONJSA-N 1 0 351.353 2.308 50 0 FEAARO CC[C@@H](C)C[N@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000011880863 539537065 /nfs/dbraw/zinc/53/70/65/539537065.db2.gz AGTMKWUVEUFDIT-OAHLLOKOSA-N 1 0 373.476 2.180 50 0 FEAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H](O)CO)c1 ZINC000011873831 539537312 /nfs/dbraw/zinc/53/73/12/539537312.db2.gz FHBDCPAEUAVAJW-LJQANCHMSA-N 1 0 367.449 2.333 50 0 FEAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000012035854 539541135 /nfs/dbraw/zinc/54/11/35/539541135.db2.gz GQNFBCIOISLZIL-WHWKNOJMSA-N 1 0 365.481 2.437 50 0 FEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000133127326 210072111 /nfs/dbraw/zinc/07/21/11/210072111.db2.gz MZLXKUXKXRFDGW-CQSZACIVSA-N 1 0 363.259 2.459 50 0 FEAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCCn1ccnc1 ZINC000012219218 539550332 /nfs/dbraw/zinc/55/03/32/539550332.db2.gz XCIMLLKYYAYNOK-SFHVURJKSA-N 1 0 374.460 2.462 50 0 FEAARO CC1=C(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)OCCO1 ZINC000012297921 539553062 /nfs/dbraw/zinc/55/30/62/539553062.db2.gz BVDBYWROCIVXKZ-IBGZPJMESA-N 1 0 371.481 2.420 50 0 FEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000125198349 210060897 /nfs/dbraw/zinc/06/08/97/210060897.db2.gz VEIGGVPCKBKABS-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO C[N@@H+]1CCN(CCNC(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000031794264 210049751 /nfs/dbraw/zinc/04/97/51/210049751.db2.gz KQUCYHJGRWMTRS-HXUWFJFHSA-N 1 0 352.482 2.475 50 0 FEAARO COc1ccc(C(=O)N[C@H]2CC(=O)Nc3ccccc32)cc1OCCC[NH3+] ZINC000299791505 210034000 /nfs/dbraw/zinc/03/40/00/210034000.db2.gz GHJKMLIVYJRIJP-INIZCTEOSA-N 1 0 369.421 2.236 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCCCc2nc3cc(F)ccc3[nH]2)C1 ZINC000299791601 210032605 /nfs/dbraw/zinc/03/26/05/210032605.db2.gz HBNFXYPWZPEEEA-HNNXBMFYSA-N 1 0 362.449 2.250 50 0 FEAARO C[NH+]1CCN(CC[C@H]2CCCCN2C(=O)c2ccncc2Cl)CC1 ZINC000299788755 210031569 /nfs/dbraw/zinc/03/15/69/210031569.db2.gz WRZKXSLEMCLYAV-OAHLLOKOSA-N 1 0 350.894 2.367 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)c2cc3sccc3[nH]2)CC1 ZINC000012576752 539566036 /nfs/dbraw/zinc/56/60/36/539566036.db2.gz KJDXCDMISWBRJI-UHFFFAOYSA-N 1 0 355.467 2.306 50 0 FEAARO Cc1cc(C)c(CC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c(C)c1 ZINC000299782422 210025492 /nfs/dbraw/zinc/02/54/92/210025492.db2.gz XQGMTQPWQGNXMQ-NRFANRHFSA-N 1 0 355.526 2.393 50 0 FEAARO C[C@H](C1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1)[NH+]1CCOCC1 ZINC000299781790 210025568 /nfs/dbraw/zinc/02/55/68/210025568.db2.gz DBYNVTHLLYVGNH-OAHLLOKOSA-N 1 0 356.470 2.146 50 0 FEAARO O=C1N[C@@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CCc1cccs1 ZINC000299781533 210024924 /nfs/dbraw/zinc/02/49/24/210024924.db2.gz LYVSDQCHZQXQSL-LJQANCHMSA-N 1 0 370.478 2.133 50 0 FEAARO Cc1sc2nc(CNC(=O)C[C@@H]3C[N@H+](C(C)C)CCO3)cn2c1C ZINC000299775105 210021100 /nfs/dbraw/zinc/02/11/00/210021100.db2.gz GWCPAKRBBCFINA-OAHLLOKOSA-N 1 0 350.488 2.128 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccccc1-c1nc(CC)no1 ZINC000299772662 210018918 /nfs/dbraw/zinc/01/89/18/210018918.db2.gz ATEFHLOJYKNWAT-GJZGRUSLSA-N 1 0 359.430 2.140 50 0 FEAARO O=C(CN1CCCCCC1=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000299771694 210018983 /nfs/dbraw/zinc/01/89/83/210018983.db2.gz WHXSLHPNNVZVME-SFHVURJKSA-N 1 0 358.486 2.127 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCCCN1C(=O)C1CC1 ZINC000299766396 210015408 /nfs/dbraw/zinc/01/54/08/210015408.db2.gz CYTXYGWRRTYSLY-SFHVURJKSA-N 1 0 359.470 2.151 50 0 FEAARO COc1cccc(-c2cccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)n1 ZINC000299756766 210009792 /nfs/dbraw/zinc/00/97/92/210009792.db2.gz GNDZDEUOPFZMAL-OALUTQOASA-N 1 0 367.449 2.350 50 0 FEAARO CN(CC1(CO)CCOCC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299756059 210008943 /nfs/dbraw/zinc/00/89/43/210008943.db2.gz BCIMTDVWXIWOGN-ZCNNSNEGSA-N 1 0 372.509 2.460 50 0 FEAARO O=C1CCN(Cc2cc(F)ccc2F)CCN1CC[NH+]1CCCCC1 ZINC000015004412 539609234 /nfs/dbraw/zinc/60/92/34/539609234.db2.gz OAGOYHNMFAVCDC-UHFFFAOYSA-N 1 0 351.441 2.485 50 0 FEAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccnn3C)C2)CC1 ZINC000015074108 539612060 /nfs/dbraw/zinc/61/20/60/539612060.db2.gz SIQSLOBIBIVQLT-GOSISDBHSA-N 1 0 367.497 2.155 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000015825099 539624197 /nfs/dbraw/zinc/62/41/97/539624197.db2.gz XXMMEKHHNSJRAF-UHFFFAOYSA-N 1 0 358.421 2.344 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccc(C)cc3)n2)CC1 ZINC000021929461 539689513 /nfs/dbraw/zinc/68/95/13/539689513.db2.gz DMERVQBBKLTEBJ-UHFFFAOYSA-N 1 0 365.485 2.426 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000023106684 539706042 /nfs/dbraw/zinc/70/60/42/539706042.db2.gz QEKHUVCLCXZHKM-HNNXBMFYSA-N 1 0 374.466 2.064 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(N2CCOCC2)nc1)c1ccsc1 ZINC000025331802 539756258 /nfs/dbraw/zinc/75/62/58/539756258.db2.gz VGSHCGOESIYICL-MRXNPFEDSA-N 1 0 360.483 2.012 50 0 FEAARO COC1=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(C)=O)OCO4 ZINC000031717323 539916988 /nfs/dbraw/zinc/91/69/88/539916988.db2.gz WZFZRXGNVSHCOI-AQNXPRMDSA-N 1 0 357.406 2.365 50 0 biogenic,in-vitro FEAARO Cc1nn(C)c2ncc(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)cc12 ZINC000032730363 539949056 /nfs/dbraw/zinc/94/90/56/539949056.db2.gz GOYOKFKEXUWEBE-QGZVFWFLSA-N 1 0 355.417 2.449 50 0 FEAARO COC(=O)c1ccccc1-n1nnnc1C1([NH3+])C2CC3CC(C2)CC1C3 ZINC000035615878 539983847 /nfs/dbraw/zinc/98/38/47/539983847.db2.gz RCIKMICZMUPVRM-UHFFFAOYSA-N 1 0 353.426 2.059 50 0 FEAARO CCNc1cc(NCCNC(=O)Nc2ccc(OC)cc2OC)nc(C)[nH+]1 ZINC000036708107 539992570 /nfs/dbraw/zinc/99/25/70/539992570.db2.gz MPJKGZHJFAMYSU-UHFFFAOYSA-N 1 0 374.445 2.468 50 0 FEAARO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1nc2ncccn2n1 ZINC000036618718 539991448 /nfs/dbraw/zinc/99/14/48/539991448.db2.gz AVDWUHMGPDLSQE-UHFFFAOYSA-N 1 0 366.425 2.241 50 0 FEAARO C[NH+](C)CCCNn1cnc2c3cc(Br)ccc3[nH]c2c1=O ZINC000002322087 219438686 /nfs/dbraw/zinc/43/86/86/219438686.db2.gz OAMKBOAWEYQBRN-UHFFFAOYSA-N 1 0 364.247 2.136 50 0 FEAARO Cc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)nnn1-c1ccc(C)cc1 ZINC000237807476 222911676 /nfs/dbraw/zinc/91/16/76/222911676.db2.gz SXWDVWNAERFZEG-UHFFFAOYSA-N 1 0 353.470 2.488 50 0 FEAARO CC1(C)NC(=O)N(CCC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)C1=O ZINC000041626457 540027982 /nfs/dbraw/zinc/02/79/82/540027982.db2.gz ODSMLIMVXVQUER-AWEZNQCLSA-N 1 0 365.499 2.450 50 0 FEAARO [NH3+]CCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br ZINC000043224364 540093271 /nfs/dbraw/zinc/09/32/71/540093271.db2.gz FPOIGOHSQDYEMK-UHFFFAOYSA-N 1 0 369.185 2.070 50 0 FEAARO Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)c1 ZINC000044887587 540144414 /nfs/dbraw/zinc/14/44/14/540144414.db2.gz BBYMCAMTILCFKT-GOSISDBHSA-N 1 0 357.498 2.368 50 0 FEAARO C[C@@H]1CCC[N@H+](CCNC(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000045570404 540217145 /nfs/dbraw/zinc/21/71/45/540217145.db2.gz AAZSZLKEVRBHLT-CQSZACIVSA-N 1 0 366.893 2.101 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000047416001 540308669 /nfs/dbraw/zinc/30/86/69/540308669.db2.gz BQNCEJLTGVQCIY-HUUCEWRRSA-N 1 0 352.500 2.188 50 0 FEAARO CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055089315 540627020 /nfs/dbraw/zinc/62/70/20/540627020.db2.gz JVPAMIVTEYYDMD-OAHLLOKOSA-N 1 0 374.485 2.260 50 0 FEAARO NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N(Cc2cccnc2)C2CCCCCC2)C1 ZINC000055326616 540647194 /nfs/dbraw/zinc/64/71/94/540647194.db2.gz NYUXXVWXFCETNK-GOSISDBHSA-N 1 0 372.513 2.330 50 0 FEAARO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)Sc3nncn3C)CC2)cc1 ZINC000056407669 540724998 /nfs/dbraw/zinc/72/49/98/540724998.db2.gz GFUPLJASSFPMCE-MRXNPFEDSA-N 1 0 373.526 2.339 50 0 FEAARO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000058161008 540830209 /nfs/dbraw/zinc/83/02/09/540830209.db2.gz CTSMJRRRASDSDK-CQSZACIVSA-N 1 0 364.456 2.386 50 0 FEAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000058186150 540832283 /nfs/dbraw/zinc/83/22/83/540832283.db2.gz QNCWYUAZEGDUCS-UHFFFAOYSA-N 1 0 354.458 2.047 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1-n1cnnn1)c1ccco1 ZINC000058210407 540833742 /nfs/dbraw/zinc/83/37/42/540833742.db2.gz NFKATQIIYZVBOD-INIZCTEOSA-N 1 0 354.414 2.068 50 0 FEAARO CCCn1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)c2cccnc21 ZINC000065216808 541228796 /nfs/dbraw/zinc/22/87/96/541228796.db2.gz LWYZDBSDLZRWMS-UHFFFAOYSA-N 1 0 369.513 2.298 50 0 FEAARO CCOCCCNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256393 541230773 /nfs/dbraw/zinc/23/07/73/541230773.db2.gz WFRBGXFORYZYTD-LJQANCHMSA-N 1 0 368.481 2.389 50 0 FEAARO COc1cc(NC(=O)c2ccccc2[C@H]2CC[NH2+]C2)cc(-n2cnnn2)c1 ZINC000072126344 541784280 /nfs/dbraw/zinc/78/42/80/541784280.db2.gz NWGYHMHDIMFSIV-ZDUSSCGKSA-N 1 0 364.409 2.000 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2ccc(-n3cnnc3)nc2)CCC[N@@H+]1CC1CC1 ZINC000072147193 541787913 /nfs/dbraw/zinc/78/79/13/541787913.db2.gz NQXJNKCPDOPVAF-GOSISDBHSA-N 1 0 368.485 2.245 50 0 FEAARO CCCSc1ncc(C[N@@H+]2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)cn1 ZINC000072146993 541787990 /nfs/dbraw/zinc/78/79/90/541787990.db2.gz CWQQHAAEVCEIAY-AWEZNQCLSA-N 1 0 350.488 2.007 50 0 FEAARO O=S(=O)(C1CC1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072152364 541789875 /nfs/dbraw/zinc/78/98/75/541789875.db2.gz VDXMBUHRBYWFDL-RCCFBDPRSA-N 1 0 350.459 2.180 50 0 FEAARO NC(=O)COc1cccc(C[N@@H+]2CCCN(Cc3ccccc3F)CC2)c1 ZINC000072153436 541790831 /nfs/dbraw/zinc/79/08/31/541790831.db2.gz IBUIDMPLTHYHKD-UHFFFAOYSA-N 1 0 371.456 2.398 50 0 FEAARO Cn1ccnc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072169448 541794989 /nfs/dbraw/zinc/79/49/89/541794989.db2.gz LZJMGTFXDAQSHQ-ZLGUVYLKSA-N 1 0 366.465 2.211 50 0 FEAARO O=C(c1ccc2c(c1)CC[NH2+]C2)N1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072167804 541795097 /nfs/dbraw/zinc/79/50/97/541795097.db2.gz WGKXONFTZJOWCU-OAQYLSRUSA-N 1 0 362.473 2.423 50 0 FEAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000072304795 541798224 /nfs/dbraw/zinc/79/82/24/541798224.db2.gz SWYWGWPXRHJSOV-AWEZNQCLSA-N 1 0 353.488 2.286 50 0 FEAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2)C1 ZINC000072309889 541799058 /nfs/dbraw/zinc/79/90/58/541799058.db2.gz QXPNKHQYBVDZCK-MRXNPFEDSA-N 1 0 367.515 2.427 50 0 FEAARO NC(=O)[C@H]1CCC[N@H+](CCNc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072406973 541805716 /nfs/dbraw/zinc/80/57/16/541805716.db2.gz GUWBGHCUMCREMH-INIZCTEOSA-N 1 0 364.453 2.006 50 0 FEAARO CS(=O)(=O)c1cnc(N2CCCCCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072423525 541809743 /nfs/dbraw/zinc/80/97/43/541809743.db2.gz XXFPUNZKGIJNMI-CQSZACIVSA-N 1 0 352.504 2.118 50 0 FEAARO C[C@@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072431102 541812782 /nfs/dbraw/zinc/81/27/82/541812782.db2.gz NZZTUZUMBPJONJ-AWEZNQCLSA-N 1 0 360.425 2.040 50 0 FEAARO C[C@H](CCNC(=O)c1cccc(CCC(C)(C)O)c1)[NH+]1CCN(C)CC1 ZINC000072430880 541812878 /nfs/dbraw/zinc/81/28/78/541812878.db2.gz ZGEGGALCEMEDCN-QGZVFWFLSA-N 1 0 361.530 2.146 50 0 FEAARO c1cnn(-c2ccccc2Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072470171 541818782 /nfs/dbraw/zinc/81/87/82/541818782.db2.gz LNMRASJVCQBDOG-UHFFFAOYSA-N 1 0 359.437 2.474 50 0 FEAARO COc1cc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)ccc1N1CCCC1 ZINC000072476078 541819532 /nfs/dbraw/zinc/81/95/32/541819532.db2.gz RHGZBUSKMGEILJ-UHFFFAOYSA-N 1 0 364.453 2.448 50 0 FEAARO COc1ccc([C@H](CNC(=O)Cn2c3ccccc3oc2=O)[NH+](C)C)cc1 ZINC000013150518 220060001 /nfs/dbraw/zinc/06/00/01/220060001.db2.gz MQWLYQJRTCZFAA-KRWDZBQOSA-N 1 0 369.421 2.022 50 0 FEAARO CC(C)OCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000047769223 211856084 /nfs/dbraw/zinc/85/60/84/211856084.db2.gz ACQFNTUMMBVCBH-MRXNPFEDSA-N 1 0 367.534 2.077 50 0 FEAARO CC(C)(C)[NH+]1CCC(NC(=O)CN2c3ccccc3OCCC2=O)CC1 ZINC000040155242 211731248 /nfs/dbraw/zinc/73/12/48/211731248.db2.gz ZCSILYURWDKKMX-UHFFFAOYSA-N 1 0 359.470 2.181 50 0 FEAARO C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc4c(c3)CCC4)cn2)CC1 ZINC000073561095 541966528 /nfs/dbraw/zinc/96/65/28/541966528.db2.gz FTGWPHOFWRNMKD-UHFFFAOYSA-N 1 0 364.493 2.181 50 0 FEAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000075572748 542189865 /nfs/dbraw/zinc/18/98/65/542189865.db2.gz KMKOWCKQADDMKP-AWEZNQCLSA-N 1 0 355.429 2.291 50 0 FEAARO Cc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1S(=O)(=O)N(C)C ZINC000021821766 211325911 /nfs/dbraw/zinc/32/59/11/211325911.db2.gz WLBOKCXVKKXQFT-UHFFFAOYSA-N 1 0 353.488 2.060 50 0 FEAARO Cc1cc(I)ccc1OCCN1CC[NH+](C)CC1 ZINC000020653229 211290849 /nfs/dbraw/zinc/29/08/49/211290849.db2.gz BKQOBWIKSDVBIK-UHFFFAOYSA-N 1 0 360.239 2.226 50 0 FEAARO Cc1ncc2c(c1-c1noc(-c3cccc(-n4cnnc4)c3)n1)CC[NH2+]C2 ZINC000020454066 211281365 /nfs/dbraw/zinc/28/13/65/211281365.db2.gz BDIKPZHCQBTOGY-UHFFFAOYSA-N 1 0 359.393 2.333 50 0 FEAARO Cc1cc(-c2nnc(CCC(=O)N(C)C[C@H](C)C[NH+]3CCCC3)o2)no1 ZINC000019222771 211206214 /nfs/dbraw/zinc/20/62/14/211206214.db2.gz IKWAAOUNQFCDOT-ZDUSSCGKSA-N 1 0 361.446 2.156 50 0 FEAARO c1ccc(-n2nnnc2SCC[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000016552346 211162406 /nfs/dbraw/zinc/16/24/06/211162406.db2.gz UJYLLZKVNGIUPL-UHFFFAOYSA-N 1 0 369.450 2.315 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21c2cccc(C)c2NC1=O ZINC000016022002 211152966 /nfs/dbraw/zinc/15/29/66/211152966.db2.gz YHJBFALZYUQLJS-KPTJMHEGSA-N 1 0 369.465 2.170 50 0 FEAARO CCOC(=O)c1ccc(-n2nnnc2C2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000015414419 211128140 /nfs/dbraw/zinc/12/81/40/211128140.db2.gz YNSHGCZOTIDOAS-UHFFFAOYSA-N 1 0 367.453 2.449 50 0 FEAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000015076568 211119066 /nfs/dbraw/zinc/11/90/66/211119066.db2.gz RTXWFGZQIWDIFV-OAHLLOKOSA-N 1 0 373.950 2.377 50 0 FEAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4nccn4C)C3)C2=O)c1 ZINC000015076643 211118864 /nfs/dbraw/zinc/11/88/64/211118864.db2.gz ALJWTWHQMGZWJU-NRFANRHFSA-N 1 0 368.481 2.443 50 0 FEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3ncccc3C)C2=O)c1 ZINC000015065046 211117303 /nfs/dbraw/zinc/11/73/03/211117303.db2.gz DZHQOLUHABLKQG-OAQYLSRUSA-N 1 0 353.466 2.342 50 0 FEAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)N1CCOCC1 ZINC000014981205 211110343 /nfs/dbraw/zinc/11/03/43/211110343.db2.gz PWBJMYOTYUJLGD-KRWDZBQOSA-N 1 0 374.481 2.309 50 0 FEAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCOC(C)C)cc1 ZINC000014879523 211104232 /nfs/dbraw/zinc/10/42/32/211104232.db2.gz GZLXZTXOEQEKNX-GOSISDBHSA-N 1 0 362.470 2.369 50 0 FEAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014534995 211093650 /nfs/dbraw/zinc/09/36/50/211093650.db2.gz HIXRSYPRJNPEBU-INIZCTEOSA-N 1 0 370.472 2.485 50 0 FEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([N@H+](C)CCOC)CC2 ZINC000014741618 211099921 /nfs/dbraw/zinc/09/99/21/211099921.db2.gz KENCXAYGTYYCLF-MRXNPFEDSA-N 1 0 362.518 2.259 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188210408 211063982 /nfs/dbraw/zinc/06/39/82/211063982.db2.gz VPATVNNJMMXLLR-MAUKXSAKSA-N 1 0 356.470 2.312 50 0 FEAARO C[NH+](C)CCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013732617 211053671 /nfs/dbraw/zinc/05/36/71/211053671.db2.gz UKDCPOGUCAJWQO-UHFFFAOYSA-N 1 0 352.442 2.496 50 0 FEAARO C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCC[NH+](C)C)nc4c3c21 ZINC000002348540 210393494 /nfs/dbraw/zinc/39/34/94/210393494.db2.gz YOBNPDDGTGZJPC-SNVBAGLBSA-N 1 0 358.471 2.070 50 0 FEAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077343526 542370392 /nfs/dbraw/zinc/37/03/92/542370392.db2.gz AORGLJCGIQBKPM-MRXNPFEDSA-N 1 0 363.502 2.363 50 0 FEAARO COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000077354632 542371049 /nfs/dbraw/zinc/37/10/49/542371049.db2.gz XQOKJMXTXKAWBF-INIZCTEOSA-N 1 0 354.454 2.401 50 0 FEAARO CCn1c(N)nc2cc(C(=O)NCCC[NH+]3Cc4ccccc4C3)cnc21 ZINC000077356013 542372179 /nfs/dbraw/zinc/37/21/79/542372179.db2.gz NYXPYJCWXNUPFD-UHFFFAOYSA-N 1 0 364.453 2.169 50 0 FEAARO Cc1ccc2cc(CN3CC[C@](O)(C[NH+]4CCCCC4)C3)c(=O)[nH]c2c1 ZINC000077541588 542395076 /nfs/dbraw/zinc/39/50/76/542395076.db2.gz QHKVQCNIMSQQKL-NRFANRHFSA-N 1 0 355.482 2.259 50 0 FEAARO CCCOc1c(Br)cc(C[NH2+]CCOCCO)cc1OC ZINC000020933028 220345444 /nfs/dbraw/zinc/34/54/44/220345444.db2.gz XWZJSNOWVCFWPN-UHFFFAOYSA-N 1 0 362.264 2.345 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000063193910 221141471 /nfs/dbraw/zinc/14/14/71/221141471.db2.gz ABGYGNPAZDASEX-CABZTGNLSA-N 1 0 365.268 2.479 50 0 FEAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000065288776 221195466 /nfs/dbraw/zinc/19/54/66/221195466.db2.gz JPTVTNFJOUFZER-QGZVFWFLSA-N 1 0 359.470 2.048 50 0 FEAARO COc1ccc2c(c1)[C@H](NC(=O)CN1CCC[N@H+](C)CC1)CC(C)(C)O2 ZINC000065397351 221211062 /nfs/dbraw/zinc/21/10/62/221211062.db2.gz GTLIMFDKGVKBTL-QGZVFWFLSA-N 1 0 361.486 2.051 50 0 FEAARO CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)c1cc2n(n1)CCC[NH2+]C2 ZINC000065397561 221210561 /nfs/dbraw/zinc/21/05/61/221210561.db2.gz CCQOIELDTZACLX-INIZCTEOSA-N 1 0 370.453 2.067 50 0 FEAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000079073533 542498007 /nfs/dbraw/zinc/49/80/07/542498007.db2.gz PHPHFYDGVWQISE-OAHLLOKOSA-N 1 0 363.458 2.483 50 0 FEAARO CNc1nc(NCCCOCC2CC2)nc(NCCCOCC2CC2)[nH+]1 ZINC000079099297 542499983 /nfs/dbraw/zinc/49/99/83/542499983.db2.gz ZALYIYSZYWUYSA-UHFFFAOYSA-N 1 0 364.494 2.371 50 0 FEAARO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065592975 221234735 /nfs/dbraw/zinc/23/47/35/221234735.db2.gz ZYPAURNAPVOSEF-HNNXBMFYSA-N 1 0 365.424 2.172 50 0 FEAARO COc1cccc(C(=O)N[C@H]2C[NH2+][C@H](C(=O)N[C@@H](C)C3CCCCC3)C2)c1 ZINC000067650616 221266365 /nfs/dbraw/zinc/26/63/65/221266365.db2.gz KTCJAZAPIQIGDB-YJLNNSPDSA-N 1 0 373.497 2.241 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067514144 221258467 /nfs/dbraw/zinc/25/84/67/221258467.db2.gz GVZQXTOMYBYTHR-SFHVURJKSA-N 1 0 368.481 2.399 50 0 FEAARO c1nc(SCCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)n[nH]1 ZINC000067587434 221258686 /nfs/dbraw/zinc/25/86/86/221258686.db2.gz KRVOTMBXXFKACM-UHFFFAOYSA-N 1 0 353.455 2.112 50 0 FEAARO CC(C)c1nccn1Cc1cc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)[nH]n1 ZINC000067725633 221277907 /nfs/dbraw/zinc/27/79/07/221277907.db2.gz RTRRHYGOPKTBLC-OAHLLOKOSA-N 1 0 370.501 2.477 50 0 FEAARO CC(C)(C[N@@H+]1CCC[C@@H](c2nc(-c3cccnc3)no2)C1)N1CCOCC1 ZINC000067678123 221270726 /nfs/dbraw/zinc/27/07/26/221270726.db2.gz JYCUEVCJBAKWHJ-QGZVFWFLSA-N 1 0 371.485 2.422 50 0 FEAARO COc1cccc(C[C@@]2(C3CC[NH2+]CC3)NC(=O)N(CC=C(C)C)C2=O)c1 ZINC000067694730 221273889 /nfs/dbraw/zinc/27/38/89/221273889.db2.gz XLJZWXALFIXNLK-NRFANRHFSA-N 1 0 371.481 2.494 50 0 FEAARO Cc1cccc(NC(=O)CC[NH2+]C2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000067820146 221289841 /nfs/dbraw/zinc/28/98/41/221289841.db2.gz JEFZJVUYRDOPDO-GOSISDBHSA-N 1 0 359.470 2.083 50 0 FEAARO Cn1cc(C[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CC2)cn1 ZINC000067770380 221282677 /nfs/dbraw/zinc/28/26/77/221282677.db2.gz VGIZPLQJOOCAAN-UHFFFAOYSA-N 1 0 352.394 2.155 50 0 FEAARO Cc1ccc(OC2(C(=O)N(C)Cc3[nH]nc4c3CCC4)CC[NH2+]CC2)cc1 ZINC000067842819 221291899 /nfs/dbraw/zinc/29/18/99/221291899.db2.gz HABAZGIWQFUTDS-UHFFFAOYSA-N 1 0 368.481 2.366 50 0 FEAARO Cc1ccc(F)c(C(=O)N[C@@H](C)c2nnc3n2CC[NH2+]CC3)c1Cl ZINC000067850349 221295766 /nfs/dbraw/zinc/29/57/66/221295766.db2.gz ILEXARLGGPDSBD-JTQLQIEISA-N 1 0 351.813 2.016 50 0 FEAARO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000067856510 221296642 /nfs/dbraw/zinc/29/66/42/221296642.db2.gz FZBBKZASKPNIRV-MRXNPFEDSA-N 1 0 366.469 2.371 50 0 FEAARO Cc1c2cc(F)ccc2[nH]c1CN1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067868504 221296677 /nfs/dbraw/zinc/29/66/77/221296677.db2.gz OSXDIUHKXXURGZ-UHFFFAOYSA-N 1 0 358.461 2.402 50 0 FEAARO COc1cccc(CN2CCC[C@](O)(C[NH+]3CCCCC3)C2=O)c1OC ZINC000067872545 221298349 /nfs/dbraw/zinc/29/83/49/221298349.db2.gz JVMVKWVPQNZUIL-FQEVSTJZSA-N 1 0 362.470 2.043 50 0 FEAARO O=C([C@H]1CCCO1)N1CCC([NH2+]CCOc2ccccc2Cl)CC1 ZINC000067947523 221308456 /nfs/dbraw/zinc/30/84/56/221308456.db2.gz BLTKMWWWAQODFX-QGZVFWFLSA-N 1 0 352.862 2.478 50 0 FEAARO C[C@@H](O)[C@H]([NH3+])C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067967929 221310035 /nfs/dbraw/zinc/31/00/35/221310035.db2.gz SLJWFDSFIZDVCO-YGRLFVJLSA-N 1 0 369.343 2.217 50 0 FEAARO CC(C)c1nc(CNC(=O)c2ccc(NCC[NH+]3CCCC3)nc2)no1 ZINC000067974228 221310514 /nfs/dbraw/zinc/31/05/14/221310514.db2.gz XOLZAGCOJUNGGV-UHFFFAOYSA-N 1 0 358.446 2.026 50 0 FEAARO CCn1cc(C[NH2+]C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)cn1 ZINC000067981635 221312533 /nfs/dbraw/zinc/31/25/33/221312533.db2.gz MBJIUOUQJMWZLC-FQEVSTJZSA-N 1 0 362.518 2.317 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1)N1CCCC1 ZINC000071738575 221356835 /nfs/dbraw/zinc/35/68/35/221356835.db2.gz UCLIGXNAVPHRKF-MRXNPFEDSA-N 1 0 362.543 2.442 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3ccn[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071753007 221363159 /nfs/dbraw/zinc/36/31/59/221363159.db2.gz KKCHDVTZGWILPX-QXAKKESOSA-N 1 0 352.438 2.121 50 0 FEAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000071681205 221354006 /nfs/dbraw/zinc/35/40/06/221354006.db2.gz HUAAETDIJKSVHS-AWEZNQCLSA-N 1 0 369.469 2.363 50 0 FEAARO O=C(c1ccncc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071639610 221354226 /nfs/dbraw/zinc/35/42/26/221354226.db2.gz UFRXPVYVXHQHQA-GOSISDBHSA-N 1 0 370.497 2.021 50 0 FEAARO C[N@@H+]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C2(CCCC2)C1 ZINC000085558074 542729466 /nfs/dbraw/zinc/72/94/66/542729466.db2.gz HSORVGJQWPXSNN-UHFFFAOYSA-N 1 0 369.465 2.150 50 0 FEAARO Cc1cc(C)nc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000095361817 132207799 /nfs/dbraw/zinc/20/77/99/132207799.db2.gz OXZBUGGQNBBFDZ-FQEVSTJZSA-N 1 0 357.502 2.007 50 0 FEAARO Cc1cc(C)c2c(ncnc2N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000095386099 132210020 /nfs/dbraw/zinc/21/00/20/132210020.db2.gz VYXRUCQEYHOWHK-QGZVFWFLSA-N 1 0 354.502 2.105 50 0 FEAARO CCCc1nc(C)cc(N2CCC([N@@H+]3CC[C@]4(CN(C)C(=O)O4)C3)CC2)n1 ZINC000095499222 132211986 /nfs/dbraw/zinc/21/19/86/132211986.db2.gz UBBIOSHWFVZQSB-FQEVSTJZSA-N 1 0 373.501 2.233 50 0 FEAARO CCCc1cnc(C)nc1N1CCC([N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000095501238 132212315 /nfs/dbraw/zinc/21/23/15/132212315.db2.gz FNSCTYDCQPDLMY-UHFFFAOYSA-N 1 0 359.518 2.261 50 0 FEAARO Cc1nc2sccc2c(N2CCC([NH2+][C@H](C)Cn3cncn3)CC2)n1 ZINC000095503533 132212588 /nfs/dbraw/zinc/21/25/88/132212588.db2.gz XGPVHXYZZAKCSM-GFCCVEGCSA-N 1 0 357.487 2.238 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(c1nccc(-c3cccnc3)n1)CC2 ZINC000097653969 132230350 /nfs/dbraw/zinc/23/03/50/132230350.db2.gz IPDMEFVUFSGWNA-UHFFFAOYSA-N 1 0 352.486 2.145 50 0 FEAARO Cc1sc2ncnc(N3CC[N@H+](C)[C@]4(C3)CCC(=O)N(C)CC4)c2c1C ZINC000108016626 132242688 /nfs/dbraw/zinc/24/26/88/132242688.db2.gz CAMHIXBDZFHXHW-LJQANCHMSA-N 1 0 373.526 2.441 50 0 FEAARO Cc1cnc(C)c(N2CC[NH+](Cc3cc4ccccc4n(C)c3=O)CC2)n1 ZINC000215736729 132270664 /nfs/dbraw/zinc/27/06/64/132270664.db2.gz QHJJPCTUWJDFFQ-UHFFFAOYSA-N 1 0 363.465 2.268 50 0 FEAARO Cc1nnc([C@H]2CCC[N@H+](CCN3CCN(c4ccccc4)CC3)C2)[nH]1 ZINC000244594082 132290004 /nfs/dbraw/zinc/29/00/04/132290004.db2.gz DGDRMBIKDQEBRM-SFHVURJKSA-N 1 0 354.502 2.115 50 0 FEAARO c1ccc2oc(N3CCN(c4cc([C@@H]5CCC[NH2+]C5)ncn4)CC3)nc2c1 ZINC000039538035 132301109 /nfs/dbraw/zinc/30/11/09/132301109.db2.gz KMVQZYJVAGGLFC-OAHLLOKOSA-N 1 0 364.453 2.411 50 0 FEAARO CCN1CC[C@]2(CN(c3noc(-c4ccccc4)n3)CC[N@@H+]2C)CCC1=O ZINC000091425588 542806027 /nfs/dbraw/zinc/80/60/27/542806027.db2.gz HRAKHGGYTFAZTK-FQEVSTJZSA-N 1 0 369.469 2.260 50 0 FEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3snnc3C(C)C)C2)C1=O ZINC000091434020 542807236 /nfs/dbraw/zinc/80/72/36/542807236.db2.gz XMLOEXINMHZFMI-KRWDZBQOSA-N 1 0 352.504 2.122 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1sc(C)nc1C)CC2 ZINC000091593311 542813983 /nfs/dbraw/zinc/81/39/83/542813983.db2.gz MZROOFQKVLLOGE-UHFFFAOYSA-N 1 0 373.526 2.421 50 0 FEAARO Cc1ccc2[nH]c(CN3CCN(C[C@H]4CCC[N@@H+](C)C4)CC3)cc(=O)c2c1 ZINC000091663145 542818763 /nfs/dbraw/zinc/81/87/63/542818763.db2.gz XWWLMVNRAPRYEH-SFHVURJKSA-N 1 0 368.525 2.296 50 0 FEAARO COc1ccc2c(c1)C[C@@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)CO2 ZINC000091663564 542818911 /nfs/dbraw/zinc/81/89/11/542818911.db2.gz WTDDCAFNVIFZOI-LJQANCHMSA-N 1 0 366.461 2.421 50 0 FEAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c2)on1 ZINC000091677460 542819622 /nfs/dbraw/zinc/81/96/22/542819622.db2.gz CBOFFDNKTKHPSI-CVEARBPZSA-N 1 0 361.467 2.316 50 0 FEAARO Cc1cccc2nc(C[N@@H+]3CC[C@@](O)(C4CCOCC4)[C@H](C)C3)cc(=O)n12 ZINC000091707032 542821262 /nfs/dbraw/zinc/82/12/62/542821262.db2.gz PGXOXVPLSDZZMB-VFNWGFHPSA-N 1 0 371.481 2.002 50 0 FEAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)C1 ZINC000091736280 542821906 /nfs/dbraw/zinc/82/19/06/542821906.db2.gz NCEZICZRYHMPPV-LJQANCHMSA-N 1 0 367.497 2.374 50 0 FEAARO CN1CC[C@]2(CN(c3nnc(-c4ccccc4)s3)CC[N@@H+]2C)CCC1=O ZINC000091755652 542823523 /nfs/dbraw/zinc/82/35/23/542823523.db2.gz BMNIYDGLQYULDD-IBGZPJMESA-N 1 0 371.510 2.338 50 0 FEAARO COCC[NH+]1CCC(C(=O)N2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC000091782503 542826222 /nfs/dbraw/zinc/82/62/22/542826222.db2.gz AFPCZZKXBVQRTN-UHFFFAOYSA-N 1 0 363.477 2.223 50 0 FEAARO Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091818774 542827665 /nfs/dbraw/zinc/82/76/65/542827665.db2.gz SEYYBWHPRQAFEH-FXAWDEMLSA-N 1 0 364.493 2.282 50 0 FEAARO COCC1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000091848314 542828206 /nfs/dbraw/zinc/82/82/06/542828206.db2.gz HXYIPBKOYWSFEZ-ZWKOTPCHSA-N 1 0 373.497 2.044 50 0 FEAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(Cl)c1Cl)CC2 ZINC000091845823 542828356 /nfs/dbraw/zinc/82/83/56/542828356.db2.gz KCOCWPXFJRGSBX-KGLIPLIRSA-N 1 0 373.280 2.324 50 0 FEAARO CC[C@]1(CO)CCC[N@H+](Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000091849259 542829179 /nfs/dbraw/zinc/82/91/79/542829179.db2.gz QTUYVFNULKFBKZ-NRFANRHFSA-N 1 0 362.514 2.382 50 0 FEAARO CC[C@@H]1CN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC[NH2+]1 ZINC000091892702 542830491 /nfs/dbraw/zinc/83/04/91/542830491.db2.gz ARFJXFNESYTAFB-HIHZZFLASA-N 1 0 370.497 2.062 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@H](NC(=O)CCO)[C@@H](C3CC3)C2)cc1Cl ZINC000091894592 542831010 /nfs/dbraw/zinc/83/10/10/542831010.db2.gz XRUIXFFIRUMYLZ-ZBFHGGJFSA-N 1 0 352.862 2.058 50 0 FEAARO Cc1cc(Cl)ccc1NC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000091934756 542833314 /nfs/dbraw/zinc/83/33/14/542833314.db2.gz GJPFKQIWJSDXIF-GOSISDBHSA-N 1 0 364.877 2.467 50 0 FEAARO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(=O)n3ccccc3n1)C2 ZINC000092061630 542841844 /nfs/dbraw/zinc/84/18/44/542841844.db2.gz AKMSUKWQVRLGRN-FUHWJXTLSA-N 1 0 366.465 2.084 50 0 FEAARO Cc1ccc2nc(C[N@H+]3CC[C@@]4(C3)CCCN(C(C)C)C4=O)cc(=O)n2c1 ZINC000092080363 542845022 /nfs/dbraw/zinc/84/50/22/542845022.db2.gz DWSKEOPUKHYSMW-OAQYLSRUSA-N 1 0 368.481 2.226 50 0 FEAARO COc1ccc([C@@H]2CN(c3ccnc(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095368070 542961471 /nfs/dbraw/zinc/96/14/71/542961471.db2.gz MAQQUSUKJFONPD-QXAKKESOSA-N 1 0 351.454 2.134 50 0 FEAARO Cc1ccc([C@H](CNC(=O)[C@H]2CCCN(c3ncccn3)C2)[NH+](C)C)cc1 ZINC000058193683 136130971 /nfs/dbraw/zinc/13/09/71/136130971.db2.gz FRJKXSKPWMLRDG-OALUTQOASA-N 1 0 367.497 2.421 50 0 FEAARO Cc1ccnc(N2CCC[C@H](C(=O)NCCC[NH+]3CCCCCC3)C2)n1 ZINC000065001181 136134346 /nfs/dbraw/zinc/13/43/46/136134346.db2.gz XPRWLQMAIWTSRL-SFHVURJKSA-N 1 0 359.518 2.384 50 0 FEAARO CN(C)C(=O)c1cncc(N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000072152556 136142814 /nfs/dbraw/zinc/14/28/14/136142814.db2.gz XIZQBUMROKFGBA-KRWDZBQOSA-N 1 0 353.470 2.279 50 0 FEAARO COCc1cccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095354940 542958103 /nfs/dbraw/zinc/95/81/03/542958103.db2.gz DCTOLYWAEGBOJA-INIZCTEOSA-N 1 0 371.485 2.006 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000095380291 542965318 /nfs/dbraw/zinc/96/53/18/542965318.db2.gz ZLXVIPFJZQELPJ-MRXNPFEDSA-N 1 0 362.499 2.013 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000095383506 542965525 /nfs/dbraw/zinc/96/55/25/542965525.db2.gz AJFBVICRLDRVRK-GOEBONIOSA-N 1 0 362.861 2.252 50 0 FEAARO Nc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)[nH]n1 ZINC000095379765 542965643 /nfs/dbraw/zinc/96/56/43/542965643.db2.gz KGPFPILFHJSYNT-DLBZAZTESA-N 1 0 353.470 2.161 50 0 FEAARO CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000095446736 542970113 /nfs/dbraw/zinc/97/01/13/542970113.db2.gz WOIZCILJJSARIQ-AEFFLSMTSA-N 1 0 358.511 2.375 50 0 FEAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000095463363 542972030 /nfs/dbraw/zinc/97/20/30/542972030.db2.gz LPSOYRIUAGMHOM-HNNXBMFYSA-N 1 0 369.469 2.425 50 0 FEAARO O=C(C[C@H](c1ccccc1)c1ccccn1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000095506420 542976323 /nfs/dbraw/zinc/97/63/23/542976323.db2.gz LMTHIQSQLDLJPU-LJQANCHMSA-N 1 0 361.449 2.220 50 0 FEAARO O=C(NCCc1ccccc1)c1ccc(OC2CC[NH+](CCO)CC2)cc1 ZINC000095510977 542976550 /nfs/dbraw/zinc/97/65/50/542976550.db2.gz YJFCOTLTBAETMK-UHFFFAOYSA-N 1 0 368.477 2.495 50 0 FEAARO O[C@@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)CN1CCOCC1 ZINC000095509281 542976558 /nfs/dbraw/zinc/97/65/58/542976558.db2.gz LVCNNKKOBMDEQT-LJQANCHMSA-N 1 0 360.498 2.277 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)CC1 ZINC000095517416 542979026 /nfs/dbraw/zinc/97/90/26/542979026.db2.gz QQDQYLYWOVZVFH-DENIHFKCSA-N 1 0 372.509 2.496 50 0 FEAARO COc1ccc(CC[NH+]2CCC(CN(C)S(=O)(=O)C3CC3)CC2)cc1 ZINC000095526617 542980985 /nfs/dbraw/zinc/98/09/85/542980985.db2.gz PZMKAPISTXPVMH-UHFFFAOYSA-N 1 0 366.527 2.374 50 0 FEAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cccc(=O)[nH]2)C1 ZINC000095526506 542981256 /nfs/dbraw/zinc/98/12/56/542981256.db2.gz XDZNQBJTKSMTTO-GOSISDBHSA-N 1 0 353.466 2.402 50 0 FEAARO Cc1nn(C)cc1CN1CC[C@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097077846 543004021 /nfs/dbraw/zinc/00/40/21/543004021.db2.gz SUTFFRKMIOLSRR-RTWAWAEBSA-N 1 0 354.498 2.286 50 0 FEAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000097499627 543012174 /nfs/dbraw/zinc/01/21/74/543012174.db2.gz SRGKTISSKDQBOV-HNNXBMFYSA-N 1 0 366.889 2.118 50 0 FEAARO CC(C)(C)c1ccc(C(=O)N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077486193 221634737 /nfs/dbraw/zinc/63/47/37/221634737.db2.gz ZVMYMWUKUSGAEB-OAQYLSRUSA-N 1 0 360.498 2.283 50 0 FEAARO COCC[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)CC1 ZINC000077517137 221640265 /nfs/dbraw/zinc/64/02/65/221640265.db2.gz UBPUONUCMYHYBR-FQEVSTJZSA-N 1 0 372.509 2.395 50 0 FEAARO CC(C)CS(=O)(=O)CC[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000095378539 221881689 /nfs/dbraw/zinc/88/16/89/221881689.db2.gz GXGCTEOHBNVVHY-UHFFFAOYSA-N 1 0 365.499 2.457 50 0 FEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000095386708 221891873 /nfs/dbraw/zinc/89/18/73/221891873.db2.gz FHLVPLXOFYMBND-UHFFFAOYSA-N 1 0 359.449 2.389 50 0 FEAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)CO)CC1 ZINC000095517627 221942521 /nfs/dbraw/zinc/94/25/21/221942521.db2.gz XTCHAJLWPGLKMC-HXUWFJFHSA-N 1 0 360.498 2.207 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C)on2)C[N@@H+]1C1CCCCCC1 ZINC000096137649 222041231 /nfs/dbraw/zinc/04/12/31/222041231.db2.gz PPNFNVJIKUOANT-YOEHRIQHSA-N 1 0 362.474 2.015 50 0 FEAARO COc1cc(NC(=O)N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)ccc1C ZINC000097551392 222190804 /nfs/dbraw/zinc/19/08/04/222190804.db2.gz GREWWWTZLIUCBP-QGZVFWFLSA-N 1 0 360.502 2.495 50 0 FEAARO Cc1cc2nc(C(=O)NC3CC[NH+](C4CCSCC4)CC3)cc(C)n2n1 ZINC000097551380 222191147 /nfs/dbraw/zinc/19/11/47/222191147.db2.gz ZDZFOZOJLFXEKX-UHFFFAOYSA-N 1 0 373.526 2.436 50 0 FEAARO Cc1nn(C)c(C)c1CCC(=O)NC1CC[NH+](C2CCSCC2)CC1 ZINC000097474969 222183075 /nfs/dbraw/zinc/18/30/75/222183075.db2.gz GADLYQHUXFPVJI-UHFFFAOYSA-N 1 0 364.559 2.446 50 0 FEAARO O=C(Nc1cccc(-c2c[nH]cn2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000097515158 222188268 /nfs/dbraw/zinc/18/82/68/222188268.db2.gz WTQVFWODRNPQGD-UHFFFAOYSA-N 1 0 355.442 2.405 50 0 FEAARO COCCC(=O)N1CCC2(CC[NH+](Cc3cccc(C)c3)CC2)[C@@H](CO)C1 ZINC000097632003 222200239 /nfs/dbraw/zinc/20/02/39/222200239.db2.gz JNXAMWKVTVPDAV-HXUWFJFHSA-N 1 0 374.525 2.455 50 0 FEAARO C[NH+](C)Cc1ccc(CSCCNC(=O)c2cn3cccnc3n2)o1 ZINC000097713711 222207870 /nfs/dbraw/zinc/20/78/70/222207870.db2.gz QUTOHFGLYQQUGL-UHFFFAOYSA-N 1 0 359.455 2.047 50 0 FEAARO CC(C)(CNC(=O)c1cnc(C2CC2)[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000097813692 222215298 /nfs/dbraw/zinc/21/52/98/222215298.db2.gz KFJIDLCBJSQMHP-UHFFFAOYSA-N 1 0 366.465 2.214 50 0 FEAARO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000103419332 222335376 /nfs/dbraw/zinc/33/53/76/222335376.db2.gz CYBLQKAJJGAVSR-RBSFLKMASA-N 1 0 367.515 2.242 50 0 FEAARO O=C1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccccc1F ZINC000101520843 222277937 /nfs/dbraw/zinc/27/79/37/222277937.db2.gz LPXABNWELRMRIJ-SFHVURJKSA-N 1 0 359.445 2.408 50 0 FEAARO Cc1[nH]nc2ncc(C(=O)N(CC[NH+](C)C)Cc3cccc(O)c3)cc12 ZINC000153589037 544794743 /nfs/dbraw/zinc/79/47/43/544794743.db2.gz KEWBRIOYOJOIEO-UHFFFAOYSA-N 1 0 353.426 2.176 50 0 FEAARO CC(C)c1noc([C@@H]2CCCN2C(=O)Cc2cccc(OCC[NH3+])c2)n1 ZINC000426588908 263640206 /nfs/dbraw/zinc/64/02/06/263640206.db2.gz IEPOEWFJPJBPSZ-INIZCTEOSA-N 1 0 358.442 2.437 50 0 FEAARO O=C(NCc1nnc2n1CCCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000193751326 328393346 /nfs/dbraw/zinc/39/33/46/328393346.db2.gz BAZAWSQREZDYRD-UHFFFAOYSA-N 1 0 374.533 2.412 50 0 FEAARO COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261917811 328829200 /nfs/dbraw/zinc/82/92/00/328829200.db2.gz IHGJQBVEAYPDFS-FQEVSTJZSA-N 1 0 365.477 2.170 50 0 FEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000262091916 328841378 /nfs/dbraw/zinc/84/13/78/328841378.db2.gz RVSLXLMUFFLNSM-CQSZACIVSA-N 1 0 351.497 2.491 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000082120454 519855508 /nfs/dbraw/zinc/85/55/08/519855508.db2.gz MZHKTPNTXJGCRO-UHFFFAOYSA-N 1 0 368.528 2.347 50 0 FEAARO CCC[C@H]1C[N@H+](Cc2ccc(N(C)C)nc2)C[C@@H]1NC(=O)CSC ZINC000091635938 521220426 /nfs/dbraw/zinc/22/04/26/521220426.db2.gz HPBHVDKPJKVCTC-HOTGVXAUSA-N 1 0 350.532 2.227 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C)[C@@H](CC)C3)nc2)on1 ZINC000020212104 521364625 /nfs/dbraw/zinc/36/46/25/521364625.db2.gz AEKDLWRTXPJNGP-KRWDZBQOSA-N 1 0 371.485 2.483 50 0 FEAARO CC[NH+]1CCC(N2CCn3nc(CCC(=O)NC4CCCC4)cc3C2)CC1 ZINC000091664021 521570866 /nfs/dbraw/zinc/57/08/66/521570866.db2.gz LJRWGUZGIHUVBP-UHFFFAOYSA-N 1 0 373.545 2.174 50 0 FEAARO CCN1CCC[C@]2(CC[N@H+](CCC(=O)NCc3ccc(C)cc3)C2)C1=O ZINC000091468773 521659610 /nfs/dbraw/zinc/65/96/10/521659610.db2.gz QACWMFXXGUZLDC-OAQYLSRUSA-N 1 0 357.498 2.336 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000178967453 522091630 /nfs/dbraw/zinc/09/16/30/522091630.db2.gz YNUOYYXKOZOZJJ-MRXNPFEDSA-N 1 0 372.490 2.342 50 0 FEAARO COC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082114685 523427589 /nfs/dbraw/zinc/42/75/89/523427589.db2.gz GOMLMQVWZHCUNI-SFHVURJKSA-N 1 0 373.497 2.288 50 0 FEAARO COc1ccc(CC(=O)N2CCC(C[N@@H+]3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468242 523890769 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FEAARO O=C(C[NH+]1CCCCCC1)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000221316734 548704701 /nfs/dbraw/zinc/70/47/01/548704701.db2.gz LMCGUGOORAPUMJ-NRFANRHFSA-N 1 0 368.481 2.183 50 0 FEAARO CN(CC(=O)N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)Cc1ccccc1 ZINC000222546934 548708708 /nfs/dbraw/zinc/70/87/08/548708708.db2.gz IYTJVADKAPKYIL-ZCNNSNEGSA-N 1 0 353.466 2.012 50 0 FEAARO COc1cc(C)c(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1C ZINC000230201723 548758786 /nfs/dbraw/zinc/75/87/86/548758786.db2.gz IMQYQBQFEMIPKT-OAQYLSRUSA-N 1 0 359.514 2.441 50 0 FEAARO CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237067965 548797948 /nfs/dbraw/zinc/79/79/48/548797948.db2.gz IFAZTBYRRQOLGY-INIZCTEOSA-N 1 0 368.485 2.073 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000237211127 548808889 /nfs/dbraw/zinc/80/88/89/548808889.db2.gz NSTRNDCDDDOSQD-NSHDSACASA-N 1 0 352.378 2.205 50 0 FEAARO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CCC[NH2+]CC1 ZINC000237701447 548845353 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CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(C)CC3)C2)nc2ccccc21 ZINC000248153333 549411745 /nfs/dbraw/zinc/41/17/45/549411745.db2.gz UXVSQGBQTKKEPA-KRWDZBQOSA-N 1 0 369.513 2.042 50 0 FEAARO COC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000251843260 549654105 /nfs/dbraw/zinc/65/41/05/549654105.db2.gz MWWOZLHDVUSVIU-RWQQGDIJSA-N 1 0 361.486 2.095 50 0 FEAARO COc1cccc(C(=O)N2C[C@@H]3C[N@H+](CC(C)C)CC[C@]3(CO)C2)c1C ZINC000257178310 549712461 /nfs/dbraw/zinc/71/24/61/549712461.db2.gz ZWJRZAKEUFXMJZ-LAUBAEHRSA-N 1 0 360.498 2.416 50 0 FEAARO Cc1noc([C@@]23C[N@@H+](Cc4cccnc4)C[C@@H]2CCN(C(=O)C(C)C)C3)n1 ZINC000257187519 549713192 /nfs/dbraw/zinc/71/31/92/549713192.db2.gz LUDBFCSKQOXAAB-FXAWDEMLSA-N 1 0 369.469 2.031 50 0 FEAARO COC[C@@H]1[C@H](C(=O)NCCc2c[nH]c3ccc(OC)cc23)CCC[N@@H+]1C ZINC000257185041 549713488 /nfs/dbraw/zinc/71/34/88/549713488.db2.gz JDAFVSRDNMGROY-VQIMIIECSA-N 1 0 359.470 2.192 50 0 FEAARO COc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)CC2)cc1 ZINC000257184811 549713761 /nfs/dbraw/zinc/71/37/61/549713761.db2.gz IYHJWNWAUYXAQP-GOSISDBHSA-N 1 0 361.486 2.339 50 0 FEAARO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000278436098 550785820 /nfs/dbraw/zinc/78/58/20/550785820.db2.gz KUJVFJRAVCJGKM-SJORKVTESA-N 1 0 373.497 2.447 50 0 FEAARO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CCn2cnc3ccccc32)C1 ZINC000286373144 551880154 /nfs/dbraw/zinc/88/01/54/551880154.db2.gz MAUGFIAPTLQEHH-IRXDYDNUSA-N 1 0 356.470 2.138 50 0 FEAARO Cc1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc(C)c1OC(F)F ZINC000289301394 552297621 /nfs/dbraw/zinc/29/76/21/552297621.db2.gz SFKVQLQDEWRFFS-HNNXBMFYSA-N 1 0 353.413 2.025 50 0 FEAARO O=C(c1cccc(N2CCCNC2=O)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290067395 552422440 /nfs/dbraw/zinc/42/24/40/552422440.db2.gz IANMZEZENUBRDF-QGZVFWFLSA-N 1 0 356.470 2.068 50 0 FEAARO CC1CC[NH+](CCNC(=O)N2CCN(CCc3ccccc3)CC2)CC1 ZINC000501550651 561600270 /nfs/dbraw/zinc/60/02/70/561600270.db2.gz LOMAXSKUPPGPFE-UHFFFAOYSA-N 1 0 358.530 2.288 50 0 FEAARO O=C(c1nn(Cc2ccccn2)c2c1C[NH2+]CC2)N1CCc2ccccc2C1 ZINC000299764860 553611608 /nfs/dbraw/zinc/61/16/08/553611608.db2.gz UMWJTRBDZISDIY-UHFFFAOYSA-N 1 0 373.460 2.171 50 0 FEAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000332110334 554382517 /nfs/dbraw/zinc/38/25/17/554382517.db2.gz IGSYCAYYPJGXGX-TZMCWYRMSA-N 1 0 367.852 2.152 50 0 FEAARO Cc1cc2cc(C(=O)N3CCC(O)(C[NH3+])CC3)oc2c(Br)c1 ZINC000332255601 554411602 /nfs/dbraw/zinc/41/16/02/554411602.db2.gz UWQNTUIRAZYKFI-UHFFFAOYSA-N 1 0 367.243 2.430 50 0 FEAARO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000333808017 554645489 /nfs/dbraw/zinc/64/54/89/554645489.db2.gz IUPODCMHJNSLKO-QAPCUYQASA-N 1 0 364.511 2.311 50 0 FEAARO Cc1nc(CCNC(=O)Cn2ccc([C@@H]3CCC[NH2+]C3)n2)sc1Cl ZINC000426489624 559735803 /nfs/dbraw/zinc/73/58/03/559735803.db2.gz KJZAXCVQHFXLIG-GFCCVEGCSA-N 1 0 367.906 2.127 50 0 FEAARO CC(=O)c1ccc(F)cc1-c1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000426498344 559735905 /nfs/dbraw/zinc/73/59/05/559735905.db2.gz AEANUGONGOMKHY-PMACEKPBSA-N 1 0 370.424 2.442 50 0 FEAARO Cc1nc(CCNC(=O)Cc2cccc(OCC[NH3+])c2)sc1Cl ZINC000426512092 559736315 /nfs/dbraw/zinc/73/63/15/559736315.db2.gz IVGZSFHHOMPBFF-UHFFFAOYSA-N 1 0 353.875 2.344 50 0 FEAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000426571672 559738087 /nfs/dbraw/zinc/73/80/87/559738087.db2.gz UXIRZPRJZIGYFT-KRWDZBQOSA-N 1 0 365.355 2.222 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(C(=O)NCCCn2ccc3ccccc32)C1 ZINC000426712263 559740858 /nfs/dbraw/zinc/74/08/58/559740858.db2.gz XUXIEUGPEDOZDC-QGZVFWFLSA-N 1 0 358.486 2.251 50 0 FEAARO COCC1(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000534671559 562539927 /nfs/dbraw/zinc/53/99/27/562539927.db2.gz KTKLCSWXVCPCNO-IBGZPJMESA-N 1 0 357.498 2.298 50 0 FEAARO CO[C@]12CC[N@H+](CC(=O)NCc3ccco3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426477648 570606376 /nfs/dbraw/zinc/60/63/76/570606376.db2.gz CJFGFVJJDPAJBN-IMFGXOCKSA-N 1 0 362.470 2.334 50 0 FEAARO C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000047028192 570878730 /nfs/dbraw/zinc/87/87/30/570878730.db2.gz AYIKTQMDPWQHCC-HNNXBMFYSA-N 1 0 374.464 2.374 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccsc2)[C@H]1c1ccccc1 ZINC000107540624 570897142 /nfs/dbraw/zinc/89/71/42/570897142.db2.gz QJWOLSJWGCHULC-FUHWJXTLSA-N 1 0 357.479 2.430 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000112511362 570958914 /nfs/dbraw/zinc/95/89/14/570958914.db2.gz KYPKJZWNIHVABB-QWRGUYRKSA-N 1 0 352.378 2.333 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000046214078 571032094 /nfs/dbraw/zinc/03/20/94/571032094.db2.gz DDQVMVAHINQIDO-GOEBONIOSA-N 1 0 351.516 2.362 50 0 FEAARO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1nncn1C ZINC000084714587 571097663 /nfs/dbraw/zinc/09/76/63/571097663.db2.gz MBFDFDVKADJVMK-RYRKJORJSA-N 1 0 370.501 2.428 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3CC4(CCC4)[C@H]3[C@@H]3CCCO3)c[nH]2)CC1 ZINC000685941768 571102120 /nfs/dbraw/zinc/10/21/20/571102120.db2.gz IHMPDYXXZQEAEQ-DLBZAZTESA-N 1 0 358.486 2.393 50 0 FEAARO COCCN1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)CC1 ZINC000426420415 571222806 /nfs/dbraw/zinc/22/28/06/571222806.db2.gz BYBBYYBYTVFUAG-HXUWFJFHSA-N 1 0 374.529 2.187 50 0 FEAARO COc1ccc(F)cc1-c1ccc(C(=O)NC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000426474254 571227189 /nfs/dbraw/zinc/22/71/89/571227189.db2.gz LOFZDSLEZIFWDD-HXUWFJFHSA-N 1 0 358.413 2.346 50 0 FEAARO CC1(C)CCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000170089177 571262067 /nfs/dbraw/zinc/26/20/67/571262067.db2.gz OOYIYPOAXMTFMB-JKSUJKDBSA-N 1 0 356.532 2.113 50 0 FEAARO O=S(=O)(Cc1ccccc1C[NH2+]Cc1cccs1)N1CCOCC1 ZINC000067693176 670460738 /nfs/dbraw/zinc/46/07/38/670460738.db2.gz XWVMWSGXBGKFPM-UHFFFAOYSA-N 1 0 366.508 2.200 50 0 FEAARO OCCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000092001600 670733831 /nfs/dbraw/zinc/73/38/31/670733831.db2.gz MARZUNADCHTOGF-CVEARBPZSA-N 1 0 359.388 2.430 50 0 FEAARO CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000179116766 672398889 /nfs/dbraw/zinc/39/88/89/672398889.db2.gz QRQWRFOXQIFOGJ-CQSZACIVSA-N 1 0 353.451 2.430 50 0 FEAARO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cn(C)nc2C)C1 ZINC000190674038 672646122 /nfs/dbraw/zinc/64/61/22/672646122.db2.gz LZDWROLVORDASD-CQSZACIVSA-N 1 0 362.503 2.479 50 0 FEAARO CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@H](OC(F)F)C2)CC1 ZINC000888100007 688545838 /nfs/dbraw/zinc/54/58/38/688545838.db2.gz SKINFUOPWCXWAS-KBPBESRZSA-N 1 0 361.433 2.043 50 0 FEAARO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170048258 222593475 /nfs/dbraw/zinc/59/34/75/222593475.db2.gz MPVWDJGGLPHUQY-SNVBAGLBSA-N 1 0 354.332 2.485 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1cnc2ccccc2c1=O ZINC000253412301 210215551 /nfs/dbraw/zinc/21/55/51/210215551.db2.gz QNOBDWGUCZSTSM-QFBILLFUSA-N 1 0 368.481 2.119 50 0 FEAARO COc1cc(C[NH2+]C(C)(C)CO)cc(I)c1OC ZINC000004839891 539394081 /nfs/dbraw/zinc/39/40/81/539394081.db2.gz ROQHFMAAQROSID-UHFFFAOYSA-N 1 0 365.211 2.169 50 0 FEAARO COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010337 539399690 /nfs/dbraw/zinc/39/96/90/539399690.db2.gz JNOFQAGJRULRTK-CABCVRRESA-N 1 0 370.449 2.493 50 0 FEAARO CC[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006784893 539437208 /nfs/dbraw/zinc/43/72/08/539437208.db2.gz WBKGJHOCINBDKK-KBPBESRZSA-N 1 0 353.488 2.186 50 0 FEAARO CCOc1ccc(C[NH2+]CCCSc2nnnn2C)cc1OCC ZINC000007541516 539460204 /nfs/dbraw/zinc/46/02/04/539460204.db2.gz AUAYLJNAIXWNOU-UHFFFAOYSA-N 1 0 351.476 2.280 50 0 FEAARO CC(C)[NH+](CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)C(C)C ZINC000010214724 539514099 /nfs/dbraw/zinc/51/40/99/539514099.db2.gz GDDRIMQHBMNFIG-UHFFFAOYSA-N 1 0 356.470 2.191 50 0 FEAARO CC1(C)CC(NC(=O)CCN2C(=O)COc3ccccc32)CC(C)(C)[NH2+]1 ZINC000010818251 539521237 /nfs/dbraw/zinc/52/12/37/539521237.db2.gz LXMMYDLJJXLHLG-UHFFFAOYSA-N 1 0 359.470 2.228 50 0 FEAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011665323 539532097 /nfs/dbraw/zinc/53/20/97/539532097.db2.gz SVSSGQWOVFRXCD-SFHVURJKSA-N 1 0 369.465 2.497 50 0 FEAARO O=C(CCN1CCCCC1=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011770921 539535388 /nfs/dbraw/zinc/53/53/88/539535388.db2.gz KKVLPGLRYCYANM-IBGZPJMESA-N 1 0 357.498 2.212 50 0 FEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2nonc2C)CC1 ZINC000012027867 539540732 /nfs/dbraw/zinc/54/07/32/539540732.db2.gz IGCDNSRCJOGQTQ-UHFFFAOYSA-N 1 0 372.469 2.413 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000012072874 539541995 /nfs/dbraw/zinc/54/19/95/539541995.db2.gz LSODJWKCGGMQRP-RBUKOAKNSA-N 1 0 350.466 2.253 50 0 FEAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)C1(C(N)=O)CC1 ZINC000012111719 539543593 /nfs/dbraw/zinc/54/35/93/539543593.db2.gz XICVATBCPHPSRQ-UHFFFAOYSA-N 1 0 371.525 2.364 50 0 FEAARO O=C(c1cc[n+]([O-])cc1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012318676 539554518 /nfs/dbraw/zinc/55/45/18/539554518.db2.gz VSMITSLLFKUNNJ-FQEVSTJZSA-N 1 0 366.465 2.089 50 0 FEAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)N1CCOCC1 ZINC000012459764 539560931 /nfs/dbraw/zinc/56/09/31/539560931.db2.gz YWHIFEPKFBZDAP-OAHLLOKOSA-N 1 0 358.442 2.074 50 0 FEAARO CCc1ccc(C[NH+]2CCC(n3cc(C(=O)NCCOC)nn3)CC2)cc1 ZINC000012509679 539562404 /nfs/dbraw/zinc/56/24/04/539562404.db2.gz MUVYGJBVHNFBKZ-UHFFFAOYSA-N 1 0 371.485 2.054 50 0 FEAARO O=C(c1cnc2c(F)cccc2c1O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299792324 210034175 /nfs/dbraw/zinc/03/41/75/210034175.db2.gz FIOVVGSXPWLOTA-CQSZACIVSA-N 1 0 373.428 2.406 50 0 FEAARO O=C1C[C@@H](C[NH+]2CCC(O)(c3cccnc3)CC2)CN1c1ccccc1 ZINC000299790642 210031593 /nfs/dbraw/zinc/03/15/93/210031593.db2.gz BMBFPJGBRCEPIJ-KRWDZBQOSA-N 1 0 351.450 2.418 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1 ZINC000299788552 210031638 /nfs/dbraw/zinc/03/16/38/210031638.db2.gz QYCMNBKVQYCSJL-UHFFFAOYSA-N 1 0 362.499 2.118 50 0 FEAARO CO[C@]12CC[N@H+](CCc3nccn3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299784129 210027763 /nfs/dbraw/zinc/02/77/63/210027763.db2.gz WJZJSICKINWOHM-FUHIMQAGSA-N 1 0 356.470 2.449 50 0 FEAARO Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299783739 210027120 /nfs/dbraw/zinc/02/71/20/210027120.db2.gz XZAQABCPMKQMCI-IRXDYDNUSA-N 1 0 371.437 2.395 50 0 FEAARO COCc1cc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)[nH]n1 ZINC000299778305 210023467 /nfs/dbraw/zinc/02/34/67/210023467.db2.gz PFQYBLGFBNTVIL-OTWHNJEPSA-N 1 0 354.454 2.398 50 0 FEAARO CC[NH+](CC)[C@H]1CCN(C(=O)CCCc2nc(-c3cccnc3)no2)C1 ZINC000299773124 210019338 /nfs/dbraw/zinc/01/93/38/210019338.db2.gz ATZBPOFFXDSPFI-INIZCTEOSA-N 1 0 357.458 2.397 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000299770294 210017012 /nfs/dbraw/zinc/01/70/12/210017012.db2.gz RAIDGYUDSVLCFV-SFHVURJKSA-N 1 0 362.474 2.202 50 0 FEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2cncn2)cc1 ZINC000012802724 539575262 /nfs/dbraw/zinc/57/52/62/539575262.db2.gz QPOGLBAZQDIWSN-FQEVSTJZSA-N 1 0 361.449 2.331 50 0 FEAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2ccc3nnnn3c2)cc1 ZINC000299768884 210016390 /nfs/dbraw/zinc/01/63/90/210016390.db2.gz ZTIVQGXSGPNFON-KRWDZBQOSA-N 1 0 350.426 2.163 50 0 FEAARO Cc1nc2ccccn2c1CC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000299758307 210011600 /nfs/dbraw/zinc/01/16/00/210011600.db2.gz LISDSESLFWVEIM-SFHVURJKSA-N 1 0 370.497 2.289 50 0 FEAARO CCCn1cnc2cc(NC(=O)N3CCOC[C@@H](C[NH+](C)C)C3)ccc21 ZINC000299758934 210010571 /nfs/dbraw/zinc/01/05/71/210010571.db2.gz LVWANDOYKIEOSQ-HNNXBMFYSA-N 1 0 359.474 2.488 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccsc1 ZINC000025331531 539755975 /nfs/dbraw/zinc/75/59/75/539755975.db2.gz SBQOAMMUDUSFKR-HNNXBMFYSA-N 1 0 367.496 2.152 50 0 FEAARO CC(C)(C)OC(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025448447 539760435 /nfs/dbraw/zinc/76/04/35/539760435.db2.gz DDJSSNGQPNAHPF-UHFFFAOYSA-N 1 0 369.506 2.053 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(F)c1 ZINC000027591522 539811252 /nfs/dbraw/zinc/81/12/52/539811252.db2.gz GAUVFQVTDGRRQX-QGZVFWFLSA-N 1 0 358.417 2.027 50 0 FEAARO CN1C(=O)c2ccc(NC(=O)C[N@H+](C)[C@H]3CCc4ccccc43)cc2C1=O ZINC000029487295 539855025 /nfs/dbraw/zinc/85/50/25/539855025.db2.gz VRSVBHHNIHZBKO-SFHVURJKSA-N 1 0 363.417 2.470 50 0 FEAARO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000032911879 539958832 /nfs/dbraw/zinc/95/88/32/539958832.db2.gz GKBZCMHVNGIIAI-LLVKDONJSA-N 1 0 364.389 2.348 50 0 FEAARO CCCc1nnc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000033011135 539963872 /nfs/dbraw/zinc/96/38/72/539963872.db2.gz MMQFWHSACONSMY-UHFFFAOYSA-N 1 0 361.471 2.034 50 0 FEAARO Cc1cccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCC(C)C)c1 ZINC000036098595 539987433 /nfs/dbraw/zinc/98/74/33/539987433.db2.gz RIWBNLYJRXEAJS-NRFANRHFSA-N 1 0 364.530 2.163 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000040073631 540004985 /nfs/dbraw/zinc/00/49/85/540004985.db2.gz YSEPSDVGHVWAJI-LSDHHAIUSA-N 1 0 351.516 2.362 50 0 FEAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355891 540009277 /nfs/dbraw/zinc/00/92/77/540009277.db2.gz OAOZGGQOYPSYSO-UHFFFAOYSA-N 1 0 368.409 2.355 50 0 FEAARO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743843 540011487 /nfs/dbraw/zinc/01/14/87/540011487.db2.gz ZMCVZFBSEHHWJY-OAHLLOKOSA-N 1 0 358.438 2.492 50 0 FEAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]C4CC4)cc3)cc2n(C)c1=O ZINC000040721228 540011554 /nfs/dbraw/zinc/01/15/54/540011554.db2.gz IUIFSAXHQHMYQQ-FQEVSTJZSA-N 1 0 367.449 2.241 50 0 FEAARO CCCc1cc(OC)ccc1OCCCC[NH+]1CCN(CCO)CC1 ZINC000045068920 540203132 /nfs/dbraw/zinc/20/31/32/540203132.db2.gz YRPHOLGNEKNBQV-UHFFFAOYSA-N 1 0 350.503 2.417 50 0 FEAARO Cn1c2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2n(C)c1=O ZINC000050077850 540398479 /nfs/dbraw/zinc/39/84/79/540398479.db2.gz RJLZZUHUGYGOFP-HNNXBMFYSA-N 1 0 373.482 2.363 50 0 FEAARO CCOc1cccc(OCCN(C)C(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000055270646 540641856 /nfs/dbraw/zinc/64/18/56/540641856.db2.gz RIRFDBVGNDTNTF-IBGZPJMESA-N 1 0 364.486 2.422 50 0 FEAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](O)C2)c(NC(=O)C(C)(C)C)s1 ZINC000055341153 540647659 /nfs/dbraw/zinc/64/76/59/540647659.db2.gz YCPAJYMAAPCNPW-CYBMUJFWSA-N 1 0 367.515 2.228 50 0 FEAARO O=C(CC[NH+]1CCCCCCC1)NCCc1nc(-c2cccnc2)no1 ZINC000055358497 540648826 /nfs/dbraw/zinc/64/88/26/540648826.db2.gz ROYFDNWASCBPLI-UHFFFAOYSA-N 1 0 357.458 2.447 50 0 FEAARO CCOC(=O)NCCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000058066226 540828734 /nfs/dbraw/zinc/82/87/34/540828734.db2.gz ZMYXJXFMCKVPJY-UHFFFAOYSA-N 1 0 366.437 2.042 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000010544050 219906503 /nfs/dbraw/zinc/90/65/03/219906503.db2.gz AQXBSBPDLDTENV-HUUCEWRRSA-N 1 0 367.515 2.291 50 0 FEAARO COCCc1noc([C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)nc3)C2)n1 ZINC000072131939 541785331 /nfs/dbraw/zinc/78/53/31/541785331.db2.gz GVJZEKCPMLAJGY-INIZCTEOSA-N 1 0 372.473 2.028 50 0 FEAARO CSCc1noc(CN(Cc2cccnc2)[C@H]2C[NH+]3CCC2CC3)n1 ZINC000072124069 541784485 /nfs/dbraw/zinc/78/44/85/541784485.db2.gz XSONARWWCFBVCZ-INIZCTEOSA-N 1 0 359.499 2.424 50 0 FEAARO Cc1cnc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072145885 541788443 /nfs/dbraw/zinc/78/84/43/541788443.db2.gz GKTZWUWPCPIESB-DFQSSKMNSA-N 1 0 364.449 2.193 50 0 FEAARO Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000072158179 541791777 /nfs/dbraw/zinc/79/17/77/541791777.db2.gz DMQMQFHZDVPTSD-HNNXBMFYSA-N 1 0 354.520 2.194 50 0 FEAARO CC[N@H+](C)CC(=O)N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072164056 541793361 /nfs/dbraw/zinc/79/33/61/541793361.db2.gz LGMONLPBBIHGEK-SFHVURJKSA-N 1 0 363.477 2.363 50 0 FEAARO CN(C)c1ccc(-c2noc(C(=O)NCC[NH+]3CCCCCC3)n2)cc1 ZINC000064746621 212043071 /nfs/dbraw/zinc/04/30/71/212043071.db2.gz UPXSDHCBCNIPMJ-UHFFFAOYSA-N 1 0 357.458 2.408 50 0 FEAARO O=C1CCCN1c1ccc(CNC[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)cc1 ZINC000063868810 212035293 /nfs/dbraw/zinc/03/52/93/212035293.db2.gz XGJRZWXWEAGHHM-TZIWHRDSSA-N 1 0 357.498 2.282 50 0 FEAARO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072308744 541798267 /nfs/dbraw/zinc/79/82/67/541798267.db2.gz NPYRQPCFLVIMLZ-WBVHZDCISA-N 1 0 360.502 2.206 50 0 FEAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072407493 541805542 /nfs/dbraw/zinc/80/55/42/541805542.db2.gz LFYDSNAQRLJRSE-NRFANRHFSA-N 1 0 372.513 2.153 50 0 FEAARO CC(=O)N1CCC[C@@H]1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072418304 541807964 /nfs/dbraw/zinc/80/79/64/541807964.db2.gz TWPNDFSFKOCZRM-HXUWFJFHSA-N 1 0 357.498 2.163 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)cc1Cn1cccn1 ZINC000072419660 541808397 /nfs/dbraw/zinc/80/83/97/541808397.db2.gz LWWNFAYTXDHTAF-FQEVSTJZSA-N 1 0 370.453 2.357 50 0 FEAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072430080 541812070 /nfs/dbraw/zinc/81/20/70/541812070.db2.gz YVIZMEHIYAKTPA-QFBILLFUSA-N 1 0 353.470 2.169 50 0 FEAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)c3sccc3Cl)CC[C@H]21 ZINC000072436320 541814242 /nfs/dbraw/zinc/81/42/42/541814242.db2.gz GHSRXWHZUJKWJR-WCQYABFASA-N 1 0 355.891 2.203 50 0 FEAARO O[C@H]1CN(Cc2ccnn2-c2ccccc2)C[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000072454453 541816721 /nfs/dbraw/zinc/81/67/21/541816721.db2.gz HQNBFEOURBVYSC-GOTSBHOMSA-N 1 0 374.488 2.476 50 0 FEAARO OCC[C@H]1CN(c2cc(-c3ncon3)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000072470124 541818635 /nfs/dbraw/zinc/81/86/35/541818635.db2.gz AXDIJDJIIDHQCH-SFHVURJKSA-N 1 0 365.437 2.205 50 0 FEAARO CCCn1ccnc1CN1CCC2(CN(CCC[NH+](C)C)C(=O)O2)CC1 ZINC000072447785 541815852 /nfs/dbraw/zinc/81/58/52/541815852.db2.gz GSOUIFIUFLZGDE-UHFFFAOYSA-N 1 0 363.506 2.032 50 0 FEAARO c1csc(-c2nc(Cn3ccnc3-c3cc4n(n3)CC[NH2+]C4)no2)c1 ZINC000072448038 541815892 /nfs/dbraw/zinc/81/58/92/541815892.db2.gz GHYRQEXXDJBGEC-UHFFFAOYSA-N 1 0 353.411 2.010 50 0 FEAARO COc1ccc(C2(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)CC2)cc1 ZINC000072475647 541819648 /nfs/dbraw/zinc/81/96/48/541819648.db2.gz FPOGYNFDKKTAFH-UHFFFAOYSA-N 1 0 351.450 2.392 50 0 FEAARO CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnc(N4CCCC4)nc3)CC[C@H]21 ZINC000072477600 541820756 /nfs/dbraw/zinc/82/07/56/541820756.db2.gz LBRRSKGUWNXLME-ZWKOTPCHSA-N 1 0 357.502 2.300 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCOC3=O)C2)cc1 ZINC000012713376 220020928 /nfs/dbraw/zinc/02/09/28/220020928.db2.gz FAJHJFWUGCLHRZ-IBGZPJMESA-N 1 0 373.497 2.418 50 0 FEAARO Cc1cccc(C)c1-n1nnnc1SC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000058421456 212009444 /nfs/dbraw/zinc/00/94/44/212009444.db2.gz UBAOGQCJCCHDFG-INIZCTEOSA-N 1 0 361.515 2.464 50 0 FEAARO CC(=O)Nc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000058419428 212009475 /nfs/dbraw/zinc/00/94/75/212009475.db2.gz FDYFKGZJUUYIPM-OAHLLOKOSA-N 1 0 365.499 2.024 50 0 FEAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000058282683 212002013 /nfs/dbraw/zinc/00/20/13/212002013.db2.gz LYZAQHSMVMELEP-UHFFFAOYSA-N 1 0 353.488 2.045 50 0 FEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@H](c1ccccn1)N1CCOCC1 ZINC000055370058 211946595 /nfs/dbraw/zinc/94/65/95/211946595.db2.gz VWSPWHAKNPNHFW-HXUWFJFHSA-N 1 0 374.529 2.227 50 0 FEAARO CCOC(=O)Nc1ccc2c(CN3CC[NH+](CC)CC3)cc(=O)oc2c1 ZINC000023991147 211399917 /nfs/dbraw/zinc/39/99/17/211399917.db2.gz DQRSQPFKZVRJLK-UHFFFAOYSA-N 1 0 359.426 2.499 50 0 FEAARO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000023359321 211385042 /nfs/dbraw/zinc/38/50/42/211385042.db2.gz XDJJNRZKZAMOID-IBGZPJMESA-N 1 0 357.498 2.392 50 0 FEAARO O=C(NCCN1CCNC1=O)c1ccc([C@@H]2CCC[N@@H+]2C2CCC2)s1 ZINC000023311493 211384440 /nfs/dbraw/zinc/38/44/40/211384440.db2.gz BPEGXMJAKJTAGQ-AWEZNQCLSA-N 1 0 362.499 2.193 50 0 FEAARO COc1ccc(Cl)c(CN2CCC(n3cc(C[NH3+])nn3)CC2)c1F ZINC000023250888 211382183 /nfs/dbraw/zinc/38/21/83/211382183.db2.gz PWLXVYGDMFCSLY-UHFFFAOYSA-N 1 0 353.829 2.375 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CCSC1=O)c1cccc(OC)c1 ZINC000021071398 211305341 /nfs/dbraw/zinc/30/53/41/211305341.db2.gz OFMSGPYFYODSJB-INIZCTEOSA-N 1 0 365.499 2.363 50 0 FEAARO Cc1ncc2c(c1-c1noc(-c3cc(-c4cccn4C)[nH]n3)n1)CC[NH2+]C2 ZINC000020537260 211286687 /nfs/dbraw/zinc/28/66/87/211286687.db2.gz CNRSCQQVCVUWAH-UHFFFAOYSA-N 1 0 361.409 2.481 50 0 FEAARO CC(C)Cc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)s1 ZINC000020542734 211284695 /nfs/dbraw/zinc/28/46/95/211284695.db2.gz OIEMTOIGRXHDIE-RTBURBONSA-N 1 0 352.544 2.339 50 0 FEAARO CCn1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)cn1 ZINC000020166418 211270913 /nfs/dbraw/zinc/27/09/13/211270913.db2.gz ILGZZJZCESFSDL-MOPGFXCFSA-N 1 0 368.481 2.054 50 0 FEAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000019782446 211255957 /nfs/dbraw/zinc/25/59/57/211255957.db2.gz FWZOGMCVHFPTRJ-MRXNPFEDSA-N 1 0 356.353 2.034 50 0 FEAARO O=C(NCCSc1c[nH]nn1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000019219212 211205948 /nfs/dbraw/zinc/20/59/48/211205948.db2.gz NXFITGZFQHORGZ-UHFFFAOYSA-N 1 0 371.510 2.037 50 0 FEAARO Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000016473553 211161609 /nfs/dbraw/zinc/16/16/09/211161609.db2.gz SBKSUACEWRLQPX-UHFFFAOYSA-N 1 0 367.515 2.496 50 0 FEAARO CCN(CC)C(=O)c1cn(C[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)nn1 ZINC000014998082 211113576 /nfs/dbraw/zinc/11/35/76/211113576.db2.gz XGGOVXNSEIFBBV-KRWDZBQOSA-N 1 0 370.501 2.376 50 0 FEAARO CCNC(=O)c1nn(Cc2cccc(OC)c2)c2c1C[N@H+](CC1CC1)CC2 ZINC000014540628 211094660 /nfs/dbraw/zinc/09/46/60/211094660.db2.gz OLSHSBSVQVLLOL-UHFFFAOYSA-N 1 0 368.481 2.458 50 0 FEAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@@H](C)COC)CC2)C1=O ZINC000014747506 211100773 /nfs/dbraw/zinc/10/07/73/211100773.db2.gz PHQZWRFVZXXYKS-KRWDZBQOSA-N 1 0 373.497 2.383 50 0 FEAARO CCCn1nc(C(=O)NC2CC[NH+](C(C)C)CC2)c2ccccc2c1=O ZINC000014187437 211084318 /nfs/dbraw/zinc/08/43/18/211084318.db2.gz BJCCMRZLSVCDDP-UHFFFAOYSA-N 1 0 356.470 2.409 50 0 FEAARO [NH3+]C[C@H]1Cc2c(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc3n2C1 ZINC000013982578 211065044 /nfs/dbraw/zinc/06/50/44/211065044.db2.gz VCGDMSXJUNSZGP-CYBMUJFWSA-N 1 0 372.428 2.252 50 0 FEAARO Cc1cc(O[C@H](C)C(=O)NCCC[NH+](C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000006658943 210684701 /nfs/dbraw/zinc/68/47/01/210684701.db2.gz ZEHXRCCUOFHGMP-CQSZACIVSA-N 1 0 372.465 2.425 50 0 FEAARO O=C(NCCc1ccccc1Cl)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077299325 542363631 /nfs/dbraw/zinc/36/36/31/542363631.db2.gz JPXKEXPGOCACOY-HNNXBMFYSA-N 1 0 361.877 2.436 50 0 FEAARO CCOc1c(Br)cc(C[NH2+]CCN2CCOCC2)cc1OC ZINC000022076009 220377474 /nfs/dbraw/zinc/37/74/74/220377474.db2.gz DHOCNYVPPZZWFD-UHFFFAOYSA-N 1 0 373.291 2.278 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000065329476 221200356 /nfs/dbraw/zinc/20/03/56/221200356.db2.gz ALBGKKQEVGPNOC-CQSZACIVSA-N 1 0 360.458 2.219 50 0 FEAARO CCCc1cncnc1N1CC[NH+](C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000065397340 221211025 /nfs/dbraw/zinc/21/10/25/221211025.db2.gz YRLOZRHXAHPEAQ-UHFFFAOYSA-N 1 0 359.518 2.198 50 0 FEAARO Nc1cc(NC2CC[NH+](Cc3cccc(O)c3)CC2)nc(N2CCCC2)n1 ZINC000065387836 221209643 /nfs/dbraw/zinc/20/96/43/221209643.db2.gz WARUVOGISIIDPR-UHFFFAOYSA-N 1 0 368.485 2.441 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc(Cn3cccn3)cc2)CC1 ZINC000065417670 221216528 /nfs/dbraw/zinc/21/65/28/221216528.db2.gz DCFOZXQTHBVWTL-UHFFFAOYSA-N 1 0 366.469 2.216 50 0 FEAARO CC[N@H+](Cc1ccncc1)Cc1cccc(C(=O)Nc2ncn(C)n2)c1 ZINC000065433680 221219160 /nfs/dbraw/zinc/21/91/60/221219160.db2.gz UIPJRPHYVHOVMT-UHFFFAOYSA-N 1 0 350.426 2.485 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000065503462 221227512 /nfs/dbraw/zinc/22/75/12/221227512.db2.gz FTXWLNSROHKJRY-UHFFFAOYSA-N 1 0 352.442 2.157 50 0 FEAARO Cc1cc(=O)[nH]cc1C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000079104580 542499931 /nfs/dbraw/zinc/49/99/31/542499931.db2.gz ZYFLOXHOJHNVAO-MRXNPFEDSA-N 1 0 369.465 2.313 50 0 FEAARO COc1ccc(CCNC(=[NH2+])NCc2cc(OC)c(O)c(OC)c2)cc1 ZINC000066245808 221242870 /nfs/dbraw/zinc/24/28/70/221242870.db2.gz YLGYGVCSAMONRR-UHFFFAOYSA-N 1 0 359.426 2.275 50 0 FEAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2nc(-c3ccccn3)no2)n1 ZINC000067604185 221262816 /nfs/dbraw/zinc/26/28/16/221262816.db2.gz PUMZKNHPVUUAMV-CQSZACIVSA-N 1 0 365.441 2.333 50 0 FEAARO CC[C@H]([NH3+])C(=O)NCc1cccnc1N1CCN(c2ccccc2C)CC1 ZINC000067713301 221275156 /nfs/dbraw/zinc/27/51/56/221275156.db2.gz XKPKBVGEKKQSOB-SFHVURJKSA-N 1 0 367.497 2.070 50 0 FEAARO CCOc1ccc2[nH]c(=O)c(C[NH+]3CCC(n4cnnc4)CC3)cc2c1 ZINC000067727227 221277331 /nfs/dbraw/zinc/27/73/31/221277331.db2.gz IZCUJQWSSXKZLR-UHFFFAOYSA-N 1 0 353.426 2.355 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000067673322 221268363 /nfs/dbraw/zinc/26/83/63/221268363.db2.gz CUFJALGTRJAUNQ-HKUYNNGSSA-N 1 0 368.481 2.196 50 0 FEAARO Cc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067674853 221269703 /nfs/dbraw/zinc/26/97/03/221269703.db2.gz LHBGJLQLBDWQBV-CQSZACIVSA-N 1 0 364.457 2.087 50 0 FEAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H]2C[NH2+]CCO2)CCO3)s1 ZINC000067818963 221290043 /nfs/dbraw/zinc/29/00/43/221290043.db2.gz UKTRFDPRWKHAFI-MRXNPFEDSA-N 1 0 374.462 2.139 50 0 FEAARO CN1CCC2(CC1)CN(C(=O)c1ccccc1-c1ncc[nH]1)CCC[N@@H+]2C ZINC000067742747 221280880 /nfs/dbraw/zinc/28/08/80/221280880.db2.gz VHJFCIRKRPDSLT-UHFFFAOYSA-N 1 0 367.497 2.319 50 0 FEAARO C[C@@H](O)[C@H]([NH3+])C(=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067773419 221284040 /nfs/dbraw/zinc/28/40/40/221284040.db2.gz OMRQWGLFSFBZOO-XIKOKIGWSA-N 1 0 351.406 2.088 50 0 FEAARO CN(C)c1nc2c(c(N(C)Cc3nc4cc(Cl)ccc4[nH]3)n1)CC[NH2+]C2 ZINC000067804466 221286910 /nfs/dbraw/zinc/28/69/10/221286910.db2.gz MZPBBCAWLMEDDT-UHFFFAOYSA-N 1 0 371.876 2.354 50 0 FEAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CC(C)(C)C)C2=O)c1OC ZINC000067821079 221290806 /nfs/dbraw/zinc/29/08/06/221290806.db2.gz WMZOFXSCMSOSFL-HXUWFJFHSA-N 1 0 364.486 2.193 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCOC(C)(C)C3)nc2)C1 ZINC000067909231 221304630 /nfs/dbraw/zinc/30/46/30/221304630.db2.gz WKEPCLPNLKZLDD-KRWDZBQOSA-N 1 0 374.529 2.405 50 0 FEAARO CCC[NH+]1CCN(C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067920551 221305769 /nfs/dbraw/zinc/30/57/69/221305769.db2.gz FASHOGJYLMQRJW-JOCHJYFZSA-N 1 0 373.541 2.000 50 0 FEAARO C[C@H](c1nc(CC2CC[NH+](C)CC2)no1)n1cnc2ccccc2c1=O ZINC000067946715 221306453 /nfs/dbraw/zinc/30/64/53/221306453.db2.gz KZYTWJANQLSAHN-CYBMUJFWSA-N 1 0 353.426 2.273 50 0 FEAARO CN(C)c1nc2c(c(NCC3(COc4ccccc4)CC3)n1)CC[NH2+]C2 ZINC000067965098 221309193 /nfs/dbraw/zinc/30/91/93/221309193.db2.gz CAHHSYOWQRFVAW-UHFFFAOYSA-N 1 0 353.470 2.459 50 0 FEAARO O=C(CN1CCCCC1=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071753820 221363539 /nfs/dbraw/zinc/36/35/39/221363539.db2.gz IISVLEGRZOBTOX-STZQEDGTSA-N 1 0 367.493 2.088 50 0 FEAARO CCC[C@@H](CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2)[NH+](C)C ZINC000071759664 221367200 /nfs/dbraw/zinc/36/72/00/221367200.db2.gz SCTPASHZOPWYRT-INIZCTEOSA-N 1 0 368.485 2.212 50 0 FEAARO Cc1noc(C)c1Cn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071714450 221355786 /nfs/dbraw/zinc/35/57/86/221355786.db2.gz AASWTCICAJWMIV-OAHLLOKOSA-N 1 0 353.426 2.154 50 0 FEAARO CCO[C@H]1[C@H](NC(=O)Cn2nccc2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072169023 221445619 /nfs/dbraw/zinc/44/56/19/221445619.db2.gz JHQURBYOSQLHJD-UXHICEINSA-N 1 0 368.481 2.089 50 0 FEAARO CCOc1ccccc1N1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079459549 542520121 /nfs/dbraw/zinc/52/01/21/542520121.db2.gz IPQXEADUNKAPGL-QGZVFWFLSA-N 1 0 372.513 2.401 50 0 FEAARO CC(C)[C@H](C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1)[NH+](C)C ZINC000084622388 542718293 /nfs/dbraw/zinc/71/82/93/542718293.db2.gz SNYGQQGXJQACHG-QGZVFWFLSA-N 1 0 356.426 2.498 50 0 FEAARO Cc1cc(C)nc(N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091504681 132201998 /nfs/dbraw/zinc/20/19/98/132201998.db2.gz DKFHQTXLZFISDO-KRWDZBQOSA-N 1 0 357.502 2.007 50 0 FEAARO O=c1[nH]c(N2CCC([NH+]3CCCC3)CC2)nc2c1Cc1ccccc1OC2 ZINC000095515437 132213659 /nfs/dbraw/zinc/21/36/59/132213659.db2.gz VLZKCRKXDHWOJZ-UHFFFAOYSA-N 1 0 366.465 2.318 50 0 FEAARO O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCN(c2cnccn2)CC1 ZINC000173880677 132265576 /nfs/dbraw/zinc/26/55/76/132265576.db2.gz JEVABVMCZJVMMS-LJQANCHMSA-N 1 0 365.481 2.180 50 0 FEAARO Cc1ccc2cc(C[N@@H+]3CCC(=O)N(C)CC3)c(N3CCOCC3)nc2c1 ZINC000215491888 132270086 /nfs/dbraw/zinc/27/00/86/132270086.db2.gz VFINMILCMVGJRT-UHFFFAOYSA-N 1 0 368.481 2.044 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(Oc3ccccc3F)CC2)n1 ZINC000219777966 132274687 /nfs/dbraw/zinc/27/46/87/132274687.db2.gz GMLURSHPSDSZNS-UHFFFAOYSA-N 1 0 357.433 2.450 50 0 FEAARO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccnc1N1CCOCC1 ZINC000241144911 132289645 /nfs/dbraw/zinc/28/96/45/132289645.db2.gz JUAMVOSPNQDSMH-UHFFFAOYSA-N 1 0 361.490 2.258 50 0 FEAARO COc1cccc(CN2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)ncn3)CC2)c1 ZINC000244652028 132290065 /nfs/dbraw/zinc/29/00/65/132290065.db2.gz GYMUZEHLSHBDOO-CALCHBBNSA-N 1 0 353.470 2.012 50 0 FEAARO CC[C@@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H]1C[C@@H](O)C1 ZINC000244723859 132290354 /nfs/dbraw/zinc/29/03/54/132290354.db2.gz MIVXKRVMHSMOKF-YZGWKJHDSA-N 1 0 359.514 2.173 50 0 FEAARO O[C@@H]1CN(Cc2cccnc2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000244873384 132291190 /nfs/dbraw/zinc/29/11/90/132291190.db2.gz WPMPOSXZJHKVCO-FGZHOGPDSA-N 1 0 366.509 2.275 50 0 FEAARO O=C(CSc1ccncc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091620122 542815993 /nfs/dbraw/zinc/81/59/93/542815993.db2.gz PGEOLJREOVRSRZ-DOTOQJQBSA-N 1 0 361.511 2.276 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccccc1N(C)C)CC2 ZINC000091616904 542816063 /nfs/dbraw/zinc/81/60/63/542816063.db2.gz RNYTXYRLZREGLL-UHFFFAOYSA-N 1 0 367.497 2.485 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3cncnc3)C2)CN1CCc1ccccn1 ZINC000091663213 542818952 /nfs/dbraw/zinc/81/89/52/542818952.db2.gz QZKVCTZDGPSOKK-NRFANRHFSA-N 1 0 365.481 2.319 50 0 FEAARO CNc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)s1 ZINC000091665091 542819108 /nfs/dbraw/zinc/81/91/08/542819108.db2.gz NTJJTPVMUSIBKT-DZGCQCFKSA-N 1 0 364.515 2.209 50 0 FEAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1c(C)nc3ccccn31)CC2 ZINC000091781501 542825648 /nfs/dbraw/zinc/82/56/48/542825648.db2.gz IAKLZWJLFRIOPZ-UHFFFAOYSA-N 1 0 370.497 2.494 50 0 FEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]C3)c1 ZINC000091829738 542827636 /nfs/dbraw/zinc/82/76/36/542827636.db2.gz KLHJGHCGIDLENT-CALCHBBNSA-N 1 0 358.438 2.229 50 0 FEAARO CCOc1ccc(NC(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091846677 542828451 /nfs/dbraw/zinc/82/84/51/542828451.db2.gz GBIKPABHSJETKA-FQEVSTJZSA-N 1 0 374.485 2.246 50 0 FEAARO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)o1 ZINC000091966097 542834756 /nfs/dbraw/zinc/83/47/56/542834756.db2.gz HICAGTYJBLFUBL-FQEVSTJZSA-N 1 0 359.470 2.206 50 0 FEAARO CCC[NH+]1CCC([N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)CC1 ZINC000091965649 542835296 /nfs/dbraw/zinc/83/52/96/542835296.db2.gz HJBGQIODCZDRAG-DLBZAZTESA-N 1 0 360.454 2.390 50 0 FEAARO Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)s1 ZINC000092038686 542840657 /nfs/dbraw/zinc/84/06/57/542840657.db2.gz ZQTSNBZEMDPVNT-UHFFFAOYSA-N 1 0 357.487 2.204 50 0 FEAARO CCc1cc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)ccn1 ZINC000092046592 542841075 /nfs/dbraw/zinc/84/10/75/542841075.db2.gz RQETZMIBKZRKFV-UHFFFAOYSA-N 1 0 372.513 2.050 50 0 FEAARO Cc1ncsc1C[N@@H+]1C[C@H](NC(=O)C2CCOCC2)[C@@H](C(C)C)C1 ZINC000092045751 542841113 /nfs/dbraw/zinc/84/11/13/542841113.db2.gz VWDHMDHAYGJESP-CVEARBPZSA-N 1 0 351.516 2.451 50 0 FEAARO O=C(c1cccc(N2CCNC2=O)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000092061488 542841837 /nfs/dbraw/zinc/84/18/37/542841837.db2.gz IBVLBBUOQHYABH-VQIMIIECSA-N 1 0 368.481 2.163 50 0 FEAARO CCn1ccc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)n1 ZINC000092077324 542844108 /nfs/dbraw/zinc/84/41/08/542844108.db2.gz UEHUQWJMHGSWHA-UHFFFAOYSA-N 1 0 370.501 2.272 50 0 FEAARO FC(F)(F)c1nnc2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000055043927 136125774 /nfs/dbraw/zinc/12/57/74/136125774.db2.gz YCZLDHNNGHIBLI-UHFFFAOYSA-N 1 0 362.359 2.465 50 0 FEAARO C[C@@H]1CCCN(c2ccc(C(N)=O)cc2NC(=O)CC2=CC[NH2+]CC2)C1 ZINC000055358838 136126557 /nfs/dbraw/zinc/12/65/57/136126557.db2.gz VLQXAFWBHCPSEB-CQSZACIVSA-N 1 0 356.470 2.270 50 0 FEAARO C[C@H]1CCCN(c2ccc(C(N)=O)cc2NC(=O)CC2=CC[NH2+]CC2)C1 ZINC000055358840 136126622 /nfs/dbraw/zinc/12/66/22/136126622.db2.gz VLQXAFWBHCPSEB-AWEZNQCLSA-N 1 0 356.470 2.270 50 0 FEAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCc1cnn(C)c1 ZINC000056493373 136127760 /nfs/dbraw/zinc/12/77/60/136127760.db2.gz LCXNBZJAISAUGF-SFHVURJKSA-N 1 0 369.513 2.070 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000095372676 542962688 /nfs/dbraw/zinc/96/26/88/542962688.db2.gz GZPMMQPAMNOVQH-IBGZPJMESA-N 1 0 362.518 2.203 50 0 FEAARO COCC[C@@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CCO1 ZINC000067688555 136137392 /nfs/dbraw/zinc/13/73/92/136137392.db2.gz CTFFQFNJLODXHS-MRXNPFEDSA-N 1 0 354.454 2.031 50 0 FEAARO Cc1nccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071416230 136139089 /nfs/dbraw/zinc/13/90/89/136139089.db2.gz DEUCXTHKJUPPGQ-QGZVFWFLSA-N 1 0 357.502 2.088 50 0 FEAARO O=C(c1ncccc1O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072124004 136142197 /nfs/dbraw/zinc/14/21/97/136142197.db2.gz UZPMIXGIXDAFAY-GOSISDBHSA-N 1 0 366.465 2.214 50 0 FEAARO O=C(c1ccc(O)cn1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072173976 136143640 /nfs/dbraw/zinc/14/36/40/136143640.db2.gz BYRMMPFJYMPOJR-SFHVURJKSA-N 1 0 366.465 2.214 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc(N(C)C)[nH+]1 ZINC000072437236 136147500 /nfs/dbraw/zinc/14/75/00/136147500.db2.gz LFXBDCKSYBKXSS-UHFFFAOYSA-N 1 0 361.396 2.092 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000094541366 542955156 /nfs/dbraw/zinc/95/51/56/542955156.db2.gz QIZZCFPLLRZODQ-JTQLQIEISA-N 1 0 367.334 2.439 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CCc2cccnc2)C1 ZINC000095352845 542957371 /nfs/dbraw/zinc/95/73/71/542957371.db2.gz BOIJZPPHUSXABZ-SFHVURJKSA-N 1 0 355.486 2.179 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3cccnn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095355759 542958480 /nfs/dbraw/zinc/95/84/80/542958480.db2.gz QPTLGVHJHFAMGV-DFQSSKMNSA-N 1 0 364.449 2.188 50 0 FEAARO O=C(CCCN1CCOCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095357839 542959097 /nfs/dbraw/zinc/95/90/97/542959097.db2.gz ZLENNGBGDXHMOE-NHCUHLMSSA-N 1 0 371.525 2.222 50 0 FEAARO CN(C)[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095382484 542965339 /nfs/dbraw/zinc/96/53/39/542965339.db2.gz NQAPYRFZKNCNOB-GOSISDBHSA-N 1 0 365.518 2.468 50 0 FEAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1C ZINC000095392227 542968453 /nfs/dbraw/zinc/96/84/53/542968453.db2.gz XROKGHGGJKKJNB-QGZVFWFLSA-N 1 0 351.458 2.143 50 0 FEAARO Cc1nc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)nc2c1CCC2 ZINC000095388076 542967217 /nfs/dbraw/zinc/96/72/17/542967217.db2.gz YKWMJCUAJISBED-INIZCTEOSA-N 1 0 368.481 2.438 50 0 FEAARO CN([C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095416653 542969264 /nfs/dbraw/zinc/96/92/64/542969264.db2.gz JFJVQXPHDLKODV-JKSUJKDBSA-N 1 0 355.404 2.356 50 0 FEAARO CCOc1ccc(NC(=O)[C@H](C)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000095446842 542970253 /nfs/dbraw/zinc/97/02/53/542970253.db2.gz ZDPQOUYLMDNDRN-RRQGHBQHSA-N 1 0 351.516 2.390 50 0 FEAARO CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)O2 ZINC000095464541 542971679 /nfs/dbraw/zinc/97/16/79/542971679.db2.gz QDXGPVNIMLXARP-TXQOSWKISA-N 1 0 366.502 2.068 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000095460999 542972091 /nfs/dbraw/zinc/97/20/91/542972091.db2.gz PBERRHWTZXJCNO-MRXNPFEDSA-N 1 0 360.506 2.337 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)C(=O)c2ccccc2)C1 ZINC000095510508 542976981 /nfs/dbraw/zinc/97/69/81/542976981.db2.gz GEGSRTZMIPCMBN-KRWDZBQOSA-N 1 0 354.454 2.034 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)nc(C)n1)CC2 ZINC000095510887 542977228 /nfs/dbraw/zinc/97/72/28/542977228.db2.gz RXKHLFPLXKDUPC-UHFFFAOYSA-N 1 0 368.485 2.216 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1cc(C)cn1)CC2 ZINC000095521603 542980092 /nfs/dbraw/zinc/98/00/92/542980092.db2.gz CSJHPTMFSZDUDE-UHFFFAOYSA-N 1 0 370.501 2.091 50 0 FEAARO Cc1nc2c(c(N[C@H]3C[N@H+](C(C)C)C[C@@H]3O)n1)Cc1ccccc1OC2 ZINC000095528764 542982220 /nfs/dbraw/zinc/98/22/20/542982220.db2.gz LMNPCHZHWNPLTQ-WMZOPIPTSA-N 1 0 354.454 2.134 50 0 FEAARO C[NH+](C)Cc1ccc(CSCCNC(=O)c2cc3ncccn3n2)o1 ZINC000097528097 543013028 /nfs/dbraw/zinc/01/30/28/543013028.db2.gz FMLSLLSWBQWNNB-UHFFFAOYSA-N 1 0 359.455 2.047 50 0 FEAARO O=C(NCc1cc2ccccc2[nH]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112214683 543434639 /nfs/dbraw/zinc/43/46/39/543434639.db2.gz QLBZFDFVRBZKFD-MRXNPFEDSA-N 1 0 356.470 2.422 50 0 FEAARO CCOc1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1OCc1ccncc1 ZINC000124316107 543813552 /nfs/dbraw/zinc/81/35/52/543813552.db2.gz PMELASQXSQTYPY-OAHLLOKOSA-N 1 0 355.438 2.493 50 0 FEAARO Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000126153841 543921187 /nfs/dbraw/zinc/92/11/87/543921187.db2.gz AIMMERBNXIFTMM-VIFPVBQESA-N 1 0 354.241 2.316 50 0 FEAARO C[C@H]([NH2+]CCNC(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000075094260 221570906 /nfs/dbraw/zinc/57/09/06/221570906.db2.gz NMJXZMZLPRGMEP-RXVVDRJESA-N 1 0 367.493 2.468 50 0 FEAARO COc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)nc2ccccc21 ZINC000077300721 221603273 /nfs/dbraw/zinc/60/32/73/221603273.db2.gz AORDFLDGXLGISZ-NRFANRHFSA-N 1 0 369.465 2.306 50 0 FEAARO O=C(c1ccc2ccccc2n1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091677730 221783466 /nfs/dbraw/zinc/78/34/66/221783466.db2.gz LJCYEQDDTJUNIL-QZTJIDSGSA-N 1 0 353.466 2.401 50 0 FEAARO O[C@H](COc1ccc(Cl)cc1CN1CC(O)C1)C[NH+]1CCCCCC1 ZINC000095511610 221937609 /nfs/dbraw/zinc/93/76/09/221937609.db2.gz VRJICARQFQFTNJ-SFHVURJKSA-N 1 0 368.905 2.132 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccnc2)C[N@@H+]1C1CCCC1 ZINC000096132261 222038795 /nfs/dbraw/zinc/03/87/95/222038795.db2.gz ZMKSZAGMAALGHJ-WMZOPIPTSA-N 1 0 358.486 2.065 50 0 FEAARO COc1cccc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)c1OC ZINC000097156089 222164491 /nfs/dbraw/zinc/16/44/91/222164491.db2.gz SNRVZTQNTAXCDH-UHFFFAOYSA-N 1 0 362.470 2.211 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCC(O)(c2ccccc2)CC1 ZINC000097514351 222186858 /nfs/dbraw/zinc/18/68/58/222186858.db2.gz OHWAHDAUGNHSIO-GOSISDBHSA-N 1 0 372.509 2.388 50 0 FEAARO C[N@@H+]1CCCNC(=O)C12CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000097711608 222207765 /nfs/dbraw/zinc/20/77/65/222207765.db2.gz LQBCFXRIFONDSE-UHFFFAOYSA-N 1 0 355.404 2.492 50 0 FEAARO O=C(NCc1ccc2c(c1)CCCC2)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000097785096 222213697 /nfs/dbraw/zinc/21/36/97/222213697.db2.gz BYFPFEXOQDBPBZ-MRXNPFEDSA-N 1 0 353.470 2.087 50 0 FEAARO O=C(c1cnc(-c2cccnc2)nc1)N1CCC([NH+]2CCSCC2)CC1 ZINC000097805646 222214453 /nfs/dbraw/zinc/21/44/53/222214453.db2.gz QWTLHGQNFKECKL-UHFFFAOYSA-N 1 0 369.494 2.192 50 0 FEAARO CCCOc1ccc(N2C(=O)C[C@@H](NCC[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000100144223 222236837 /nfs/dbraw/zinc/23/68/37/222236837.db2.gz XEKYPGFMZHQMJA-LJQANCHMSA-N 1 0 373.497 2.429 50 0 FEAARO c1nc2c(c(N3CCC4(CCCC4)C3)n1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000106986307 222390370 /nfs/dbraw/zinc/39/03/70/222390370.db2.gz BBRAMMQUAANQRL-KRWDZBQOSA-N 1 0 355.530 2.400 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3ccncc3)C[C@H]2CCO)cc1C ZINC000107100658 222390576 /nfs/dbraw/zinc/39/05/76/222390576.db2.gz SKCIRIHVBWKZLV-HXUWFJFHSA-N 1 0 355.482 2.467 50 0 FEAARO CCOc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1OCc1cccnc1 ZINC000126384095 222534229 /nfs/dbraw/zinc/53/42/29/222534229.db2.gz SWUPXKUFONGYCI-HNNXBMFYSA-N 1 0 355.438 2.493 50 0 FEAARO CO[C@]12CCN(C(=O)C[NH+]3CCCC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426419725 263583640 /nfs/dbraw/zinc/58/36/40/263583640.db2.gz IJYIEHRADKMHFR-ABSDTBQOSA-N 1 0 359.470 2.095 50 0 FEAARO COc1ccc(C(=O)N(C)Cc2cnc3ccccc3n2)c(OCC[NH3+])c1 ZINC000426478087 263600401 /nfs/dbraw/zinc/60/04/01/263600401.db2.gz VMAMJFHHHVFNON-UHFFFAOYSA-N 1 0 366.421 2.248 50 0 FEAARO [NH3+]CCOc1cccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)c1 ZINC000426510592 263614278 /nfs/dbraw/zinc/61/42/78/263614278.db2.gz FUGPXAGSHOVDRB-LJQANCHMSA-N 1 0 350.422 2.392 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)CCc3cnn(C)c3)O2)CC1 ZINC000299785360 519425792 /nfs/dbraw/zinc/42/57/92/519425792.db2.gz YUGDWRSKQVHWIS-IBGZPJMESA-N 1 0 374.529 2.449 50 0 FEAARO CC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000079350668 519506072 /nfs/dbraw/zinc/50/60/72/519506072.db2.gz WOORYFIOLJPEMO-HXUWFJFHSA-N 1 0 357.498 2.416 50 0 FEAARO CCC[C@@H]1CN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)C[C@H]1[NH+](C)C ZINC000082146416 520842190 /nfs/dbraw/zinc/84/21/90/520842190.db2.gz MSAFWCZZGTZZRJ-TZMCWYRMSA-N 1 0 352.460 2.021 50 0 FEAARO COC(=O)c1ccc(C[NH2+]Cc2cccnc2N2CCC[C@@H](O)C2)cc1 ZINC000020205906 522033067 /nfs/dbraw/zinc/03/30/67/522033067.db2.gz KSCBAFOBQXQHEP-GOSISDBHSA-N 1 0 355.438 2.119 50 0 FEAARO COCC(=O)NCc1cc2n(n1)CCC[N@H+](CC[C@@H](C)c1ccc(C)o1)C2 ZINC000082098785 522768997 /nfs/dbraw/zinc/76/89/97/522768997.db2.gz QQAAUXVLJKWCGP-OAHLLOKOSA-N 1 0 374.485 2.447 50 0 FEAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cncn1C1CC1)CC2 ZINC000091468481 523293601 /nfs/dbraw/zinc/29/36/01/523293601.db2.gz FWWOISQNXNJBJL-UHFFFAOYSA-N 1 0 360.502 2.459 50 0 FEAARO Cc1cccc(C[NH+]2CCN(CCn3c(=O)oc4cccnc43)CC2)c1 ZINC000089424006 524399961 /nfs/dbraw/zinc/39/99/61/524399961.db2.gz CXVGVKJCCIJRDX-UHFFFAOYSA-N 1 0 352.438 2.116 50 0 FEAARO C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H](C)[NH2+]1 ZINC000153401420 524522399 /nfs/dbraw/zinc/52/23/99/524522399.db2.gz DNLZGPXGLJVICN-UWVGGRQHSA-N 1 0 364.243 2.113 50 0 FEAARO C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)C[C@H](C)[NH2+]1 ZINC000153287196 524527118 /nfs/dbraw/zinc/52/71/18/524527118.db2.gz SYISBCWLCKHYMY-IUCAKERBSA-N 1 0 365.282 2.219 50 0 FEAARO C[C@H]1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC[NH2+]1 ZINC000155017402 524541747 /nfs/dbraw/zinc/54/17/47/524541747.db2.gz SQVGIZXDRWLCMM-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020405148 524973660 /nfs/dbraw/zinc/97/36/60/524973660.db2.gz GPYUYKZFZAWJDL-GOSISDBHSA-N 1 0 360.429 2.396 50 0 FEAARO C[C@@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237466299 525300556 /nfs/dbraw/zinc/30/05/56/525300556.db2.gz QAJSNQHOTRPRPW-VLIAUNLRSA-N 1 0 363.477 2.496 50 0 FEAARO CSCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000156176928 525543802 /nfs/dbraw/zinc/54/38/02/525543802.db2.gz DHGORXILKHWLJL-ZIAGYGMSSA-N 1 0 373.316 2.429 50 0 FEAARO C[C@H](Oc1ccc(F)c(F)c1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000242140816 525935025 /nfs/dbraw/zinc/93/50/25/525935025.db2.gz WPLWMXVVMMJOJE-UYHISHBKSA-N 1 0 368.424 2.226 50 0 FEAARO c1ccc(CCc2noc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000020449177 526466375 /nfs/dbraw/zinc/46/63/75/526466375.db2.gz CVBWIGUGUISFFY-LJQANCHMSA-N 1 0 370.497 2.399 50 0 FEAARO O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000020606107 526774681 /nfs/dbraw/zinc/77/46/81/526774681.db2.gz AHCVVAKDXVBJQV-MRXNPFEDSA-N 1 0 360.845 2.493 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1c[nH]cn1 ZINC000082106918 526998391 /nfs/dbraw/zinc/99/83/91/526998391.db2.gz KKYSEUGSOROIBC-FQEVSTJZSA-N 1 0 353.470 2.252 50 0 FEAARO O=C1C[C@@]2(CC[N@H+](Cc3ccc(OCCCn4ccnc4)cc3)C2)C(=O)N1 ZINC000082138616 527045747 /nfs/dbraw/zinc/04/57/47/527045747.db2.gz SFMLLIIIQNITHY-HXUWFJFHSA-N 1 0 368.437 2.431 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178543440 527238208 /nfs/dbraw/zinc/23/82/08/527238208.db2.gz NRJMJQCABCXDSY-SECBINFHSA-N 1 0 350.772 2.363 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000158233759 527399687 /nfs/dbraw/zinc/39/96/87/527399687.db2.gz IKQGEASPDPOERJ-RYUDHWBXSA-N 1 0 356.253 2.296 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCOC(C)(C)C2)nc1 ZINC000067803830 536353655 /nfs/dbraw/zinc/35/36/55/536353655.db2.gz JRAAGAHYRSNOJN-QGZVFWFLSA-N 1 0 360.502 2.301 50 0 FEAARO CN(CCc1ccncc1)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000175757294 546344061 /nfs/dbraw/zinc/34/40/61/546344061.db2.gz BEFYEYLSNQDNJL-FQEVSTJZSA-N 1 0 353.466 2.374 50 0 FEAARO CNC(=O)Cc1nc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cs1 ZINC000177606916 546652503 /nfs/dbraw/zinc/65/25/03/546652503.db2.gz RECQTHHQIXPLMK-MRXNPFEDSA-N 1 0 364.559 2.376 50 0 FEAARO COC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000215128520 548668605 /nfs/dbraw/zinc/66/86/05/548668605.db2.gz UPXQWZHBOHLIAI-CYBMUJFWSA-N 1 0 356.850 2.214 50 0 FEAARO O=C(NCc1nc(-c2ccccn2)no1)C1CC[NH+](Cc2ccco2)CC1 ZINC000219664316 548695003 /nfs/dbraw/zinc/69/50/03/548695003.db2.gz ZLXYYIGOUYTAFJ-UHFFFAOYSA-N 1 0 367.409 2.253 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cccc(Cl)c1 ZINC000219841449 548696213 /nfs/dbraw/zinc/69/62/13/548696213.db2.gz ZNTKBZZCKYYLLM-IAGOWNOFSA-N 1 0 354.878 2.125 50 0 FEAARO O=C(Cc1ccc(F)cc1F)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220449939 548700083 /nfs/dbraw/zinc/70/00/83/548700083.db2.gz ICAVPNJOZGFGLN-UHFFFAOYSA-N 1 0 352.425 2.204 50 0 FEAARO CN(C)c1ccc(CCC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000221372370 548705412 /nfs/dbraw/zinc/70/54/12/548705412.db2.gz XUQWGMTWVWXWIE-IBGZPJMESA-N 1 0 359.514 2.256 50 0 FEAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)nnn1-c1cccc2cnccc21 ZINC000225476380 548735457 /nfs/dbraw/zinc/73/54/57/548735457.db2.gz VSPWKGPJZFDUMA-SWLSCSKDSA-N 1 0 350.426 2.076 50 0 FEAARO O=C([C@H]1CCc2nc[nH]c2C1)N1CCN(c2nsc3ccccc32)CC1 ZINC000225513081 548736187 /nfs/dbraw/zinc/73/61/87/548736187.db2.gz KUBOXIHYJNPQOB-ZDUSSCGKSA-N 1 0 367.478 2.473 50 0 FEAARO Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1C ZINC000225565354 548738210 /nfs/dbraw/zinc/73/82/10/548738210.db2.gz WGNCFBAPWFERMI-UHFFFAOYSA-N 1 0 373.497 2.249 50 0 FEAARO CCO[C@@H]1C[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1(CC)CC ZINC000236901501 548788286 /nfs/dbraw/zinc/78/82/86/548788286.db2.gz CLWFOTXZURUZKV-DLBZAZTESA-N 1 0 363.506 2.258 50 0 FEAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000238010507 548871771 /nfs/dbraw/zinc/87/17/71/548871771.db2.gz MNSIVVUQURZQAZ-ZBFHGGJFSA-N 1 0 373.280 2.334 50 0 FEAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000238098296 548877196 /nfs/dbraw/zinc/87/71/96/548877196.db2.gz MNSIVVUQURZQAZ-HOCLYGCPSA-N 1 0 373.280 2.334 50 0 FEAARO COCCn1c(COc2ccccc2N2CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244716084 548892538 /nfs/dbraw/zinc/89/25/38/548892538.db2.gz LHXZEPRLIAUKCN-WKILWMFISA-N 1 0 371.485 2.308 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000244723891 548893655 /nfs/dbraw/zinc/89/36/55/548893655.db2.gz MJKYCLPQHBDASS-LJQANCHMSA-N 1 0 368.481 2.209 50 0 FEAARO CC(=O)Nc1ccc(CNC(=O)CN(C)C[C@H]2Cc3ccccc3O2)cc1 ZINC000244794704 548895069 /nfs/dbraw/zinc/89/50/69/548895069.db2.gz QRXUFDGXGVSUKG-LJQANCHMSA-N 1 0 367.449 2.197 50 0 FEAARO CCN(CCOc1cccc(Cl)c1)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000244828579 548895991 /nfs/dbraw/zinc/89/59/91/548895991.db2.gz TYUBYATVSTZEGO-MRXNPFEDSA-N 1 0 353.894 2.203 50 0 FEAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000244816900 548896290 /nfs/dbraw/zinc/89/62/90/548896290.db2.gz SQMXUKUOBVVOKQ-GOSISDBHSA-N 1 0 369.469 2.387 50 0 FEAARO C[NH+](C)[C@@H]1CCN(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)C1 ZINC000244816943 548896323 /nfs/dbraw/zinc/89/63/23/548896323.db2.gz SROWAGUCFPXBDE-GOSISDBHSA-N 1 0 373.497 2.322 50 0 FEAARO CCc1nnc(NC(=O)CC[N@H+](C)C[C@@H]2Cc3ccccc3CN2C)s1 ZINC000252509487 549670765 /nfs/dbraw/zinc/67/07/65/549670765.db2.gz YOQHUAVVFLPVSL-INIZCTEOSA-N 1 0 373.526 2.418 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@H]2C(=O)NCc2ccccc2-n2ccnc2)CC1 ZINC000252509464 549671252 /nfs/dbraw/zinc/67/12/52/549671252.db2.gz YOGSMTCKEXMWDH-FQEVSTJZSA-N 1 0 367.497 2.047 50 0 FEAARO O=C(C[C@@H]1CCc2nnc(C3CC3)n2CC1)NCC[NH+]1CCCCCC1 ZINC000257188035 549713406 /nfs/dbraw/zinc/71/34/06/549713406.db2.gz DCSCJLSGYFURDB-MRXNPFEDSA-N 1 0 359.518 2.490 50 0 FEAARO COC[C@@H]1C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)C[C@H]1C(=O)N(C)C ZINC000257191600 549716009 /nfs/dbraw/zinc/71/60/09/549716009.db2.gz QRVLKTKLEKDFAZ-DLBZAZTESA-N 1 0 357.454 2.031 50 0 FEAARO O=C([C@@H]1C[C@H]2C(=O)NCCCCCC[NH2+][C@H]2C1)N1CCc2ccccc2C1 ZINC000257196252 549716779 /nfs/dbraw/zinc/71/67/79/549716779.db2.gz XWNFHCYHGNJQKO-AQNXPRMDSA-N 1 0 369.509 2.246 50 0 FEAARO O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000283723939 551416774 /nfs/dbraw/zinc/41/67/74/551416774.db2.gz VMDTUVVBXULURM-XUVXKRRUSA-N 1 0 372.509 2.335 50 0 FEAARO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2n[nH]nc2C1 ZINC000291850330 552668003 /nfs/dbraw/zinc/66/80/03/552668003.db2.gz DNJXPIRTFDWXFC-ZWKOTPCHSA-N 1 0 367.497 2.328 50 0 FEAARO COc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1OCc1csc(C)n1 ZINC000299740007 553610080 /nfs/dbraw/zinc/61/00/80/553610080.db2.gz UQMWEQKUJDMQQL-ZDUSSCGKSA-N 1 0 361.467 2.460 50 0 FEAARO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H]3CCC[C@]3(C)CO)cs2)c1C ZINC000329949934 554037409 /nfs/dbraw/zinc/03/74/09/554037409.db2.gz BZWIEXYWTWLORZ-KBXCAEBGSA-N 1 0 362.499 2.161 50 0 FEAARO CC1(C)CN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C[C@@H](C(F)(F)F)O1 ZINC000333311459 554601323 /nfs/dbraw/zinc/60/13/23/554601323.db2.gz LRKCFNPCDSIOEZ-FZMZJTMJSA-N 1 0 372.391 2.471 50 0 FEAARO O=C(Cc1cccs1)N[C@H]1CCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000409421464 558690800 /nfs/dbraw/zinc/69/08/00/558690800.db2.gz OWNQAQDFAZPRFY-AWEZNQCLSA-N 1 0 357.483 2.076 50 0 FEAARO O=C(Cc1cccs1)N[C@@H]1CCN(c2cc(N3CCCC3)cn[nH+]2)C1 ZINC000409421465 558690955 /nfs/dbraw/zinc/69/09/55/558690955.db2.gz OWNQAQDFAZPRFY-CQSZACIVSA-N 1 0 357.483 2.076 50 0 FEAARO Cn1c(CC[NH3+])nnc1SCc1ccc2c3c1cccc3C(=O)OC2 ZINC000426522875 559736815 /nfs/dbraw/zinc/73/68/15/559736815.db2.gz LLSMCRYXGSPJRB-UHFFFAOYSA-N 1 0 354.435 2.432 50 0 FEAARO COc1c(F)cc(-c2cccc(C(=O)NC[C@@H](O)C[NH+](C)C)c2)cc1F ZINC000426535386 559737146 /nfs/dbraw/zinc/73/71/46/559737146.db2.gz CLGWODAMNBZILT-OAHLLOKOSA-N 1 0 364.392 2.293 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000426541569 559737328 /nfs/dbraw/zinc/73/73/28/559737328.db2.gz SRNHSGMHOJJIEG-GOSISDBHSA-N 1 0 372.513 2.079 50 0 FEAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 ZINC000426690310 559740334 /nfs/dbraw/zinc/74/03/34/559740334.db2.gz OHPJHBQQCVXGLW-QANKJYHBSA-N 1 0 371.909 2.157 50 0 FEAARO CCC[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2nc(-c3ccccn3)no2)C1 ZINC000426690202 559740362 /nfs/dbraw/zinc/74/03/62/559740362.db2.gz APBHWHDOTRJNHL-OAHLLOKOSA-N 1 0 372.473 2.395 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000461983741 560790773 /nfs/dbraw/zinc/79/07/73/560790773.db2.gz RRQWBUXHKBFVSN-OAQYLSRUSA-N 1 0 352.482 2.057 50 0 FEAARO C[C@H](CNC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1)n1ccnc1 ZINC000534580426 562537213 /nfs/dbraw/zinc/53/72/13/562537213.db2.gz DGRJCEMCYMVZRO-QGZVFWFLSA-N 1 0 367.497 2.329 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@@H](C)Cc3ccccn3)cc2C1 ZINC000534582558 562537454 /nfs/dbraw/zinc/53/74/54/562537454.db2.gz GBHWYGWTJFEKSH-INIZCTEOSA-N 1 0 370.501 2.324 50 0 FEAARO CNC(=O)CCN(C)C(=O)c1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000534670082 562539930 /nfs/dbraw/zinc/53/99/30/562539930.db2.gz CCXHNLUDESXMJJ-UHFFFAOYSA-N 1 0 354.454 2.018 50 0 FEAARO COCC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCc2cccc(F)c2F)C1 ZINC000426474382 570606680 /nfs/dbraw/zinc/60/66/80/570606680.db2.gz PJJNHHAFTIUFAB-AWEZNQCLSA-N 1 0 355.429 2.465 50 0 FEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000409414068 570759355 /nfs/dbraw/zinc/75/93/55/570759355.db2.gz NCKNIIOBZSZSPS-QAPCUYQASA-N 1 0 360.502 2.252 50 0 FEAARO CCNC(=O)COc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1OC ZINC000105468815 570872871 /nfs/dbraw/zinc/87/28/71/570872871.db2.gz IPXQDQCBVNTQGE-MRXNPFEDSA-N 1 0 356.422 2.433 50 0 FEAARO Cn1ccnc1[C@@H](NC(=O)CCNc1ncccn1)c1ccccc1F ZINC000045767950 570911533 /nfs/dbraw/zinc/91/15/33/570911533.db2.gz WTVPJGNGQZATLC-INIZCTEOSA-N 1 0 354.389 2.057 50 0 FEAARO CCOC(=O)N[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000047932326 570932520 /nfs/dbraw/zinc/93/25/20/570932520.db2.gz GDESICYVZHYBLM-IAGOWNOFSA-N 1 0 365.474 2.185 50 0 FEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000083851071 571053333 /nfs/dbraw/zinc/05/33/33/571053333.db2.gz AWBITJVKFVDJOM-UHFFFAOYSA-N 1 0 363.465 2.400 50 0 FEAARO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000685940146 571099522 /nfs/dbraw/zinc/09/95/22/571099522.db2.gz XWKRJKHBJDIQNV-SJORKVTESA-N 1 0 356.397 2.472 50 0 FEAARO Cc1ccccc1[C@@H]1CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)CCO1 ZINC000685941317 571100808 /nfs/dbraw/zinc/10/08/08/571100808.db2.gz CJOFJJMIDHPOSR-SFHVURJKSA-N 1 0 354.454 2.399 50 0 FEAARO CN1C[C@]2(CCCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)CC2)OC1=O ZINC000426421352 571223198 /nfs/dbraw/zinc/22/31/98/571223198.db2.gz WSLXBXXOIGKUMP-HXUWFJFHSA-N 1 0 374.485 2.265 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3nccn3C)cc2)C[C@@H]1CCO ZINC000426423166 571223680 /nfs/dbraw/zinc/22/36/80/571223680.db2.gz YEAGJDJXLFGPIB-IBGZPJMESA-N 1 0 370.497 2.252 50 0 FEAARO COCCN(Cc1c(C)nn(C)c1C)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426425441 571223949 /nfs/dbraw/zinc/22/39/49/571223949.db2.gz OCLZZWSGAFDLHM-KRWDZBQOSA-N 1 0 365.522 2.069 50 0 FEAARO COc1cc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)ccc1OCC[NH3+] ZINC000426425479 571223959 /nfs/dbraw/zinc/22/39/59/571223959.db2.gz RLIUFRVXWOGLTL-MRXNPFEDSA-N 1 0 372.469 2.090 50 0 FEAARO CC(C)[C@H](CNC(=O)N1CCC(O)(c2cccnc2)CC1)[NH+]1CCCC1 ZINC000584897255 571315592 /nfs/dbraw/zinc/31/55/92/571315592.db2.gz OPIPNJRZGGJXHS-SFHVURJKSA-N 1 0 360.502 2.195 50 0 FEAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC[C@@H]1c1nccs1 ZINC000012204799 670001211 /nfs/dbraw/zinc/00/12/11/670001211.db2.gz ZGXMOOIMRGFNGY-OAHLLOKOSA-N 1 0 360.487 2.198 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(F)cc3OC)C2)C1=O ZINC000012581839 670002606 /nfs/dbraw/zinc/00/26/06/670002606.db2.gz QFJVOCSMCXPGAG-LJQANCHMSA-N 1 0 350.434 2.295 50 0 FEAARO CCOC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCCN(CCOC)C3)CC1 ZINC000055226919 670348015 /nfs/dbraw/zinc/34/80/15/670348015.db2.gz OCRSOYLYCDTBQU-LJQANCHMSA-N 1 0 353.507 2.042 50 0 FEAARO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)[C@H](NC(=O)C3CC3)C2)s1 ZINC000169786510 672322511 /nfs/dbraw/zinc/32/25/11/672322511.db2.gz SSFZRKVDXLKQJN-JKSUJKDBSA-N 1 0 359.499 2.367 50 0 FEAARO COc1cc(C[NH+]2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)ccc1F ZINC000299756709 673015174 /nfs/dbraw/zinc/01/51/74/673015174.db2.gz HWJNTEICAPRWOZ-INIZCTEOSA-N 1 0 350.434 2.484 50 0 FEAARO Cc1c(C(=O)Nc2scnc2-c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000662553801 678637973 /nfs/dbraw/zinc/63/79/73/678637973.db2.gz PXPKYJYHNDNPIV-ZDUSSCGKSA-N 1 0 354.439 2.497 50 0 FEAARO Cc1c(C(=O)Nc2scnc2-c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662553799 678638106 /nfs/dbraw/zinc/63/81/06/678638106.db2.gz PXPKYJYHNDNPIV-CYBMUJFWSA-N 1 0 354.439 2.497 50 0 FEAARO CN(C)c1cccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)c1 ZINC000299756106 529786465 /nfs/dbraw/zinc/78/64/65/529786465.db2.gz BUDJWLKRYJEUAK-PMACEKPBSA-N 1 0 353.466 2.167 50 0 FEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000003458917 539366985 /nfs/dbraw/zinc/36/69/85/539366985.db2.gz MSYJJPJSWQETJV-OAHLLOKOSA-N 1 0 352.394 2.083 50 0 FEAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000004711018 539390117 /nfs/dbraw/zinc/39/01/17/539390117.db2.gz AGERJHKOHXKPJJ-HXUWFJFHSA-N 1 0 371.525 2.316 50 0 FEAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CN1N=C(c2ccccc2)CCC1=O ZINC000004688098 539390210 /nfs/dbraw/zinc/39/02/10/539390210.db2.gz FWIXGEDYWTULDY-IRXDYDNUSA-N 1 0 370.497 2.392 50 0 FEAARO COCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](O)COC ZINC000005095789 539402210 /nfs/dbraw/zinc/40/22/10/539402210.db2.gz JUDQUTMTIFALAM-IBGZPJMESA-N 1 0 350.434 2.131 50 0 FEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1cc(Cl)c2c(c1)NC(=O)CO2 ZINC000299770949 530056879 /nfs/dbraw/zinc/05/68/79/530056879.db2.gz OHELWOIYVACWQW-LLVKDONJSA-N 1 0 352.822 2.277 50 0 FEAARO CC(C)[C@H]1SC[C@H](C(=O)NCC[NH+](C)C)N1C(=O)c1ccc(F)cc1 ZINC000006834608 539439074 /nfs/dbraw/zinc/43/90/74/539439074.db2.gz GVKOKOLFVPXKLE-CRAIPNDOSA-N 1 0 367.490 2.043 50 0 FEAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OC ZINC000008469810 539487011 /nfs/dbraw/zinc/48/70/11/539487011.db2.gz CNXNHNVWRXZWTF-UHFFFAOYSA-N 1 0 373.291 2.278 50 0 FEAARO Cc1nnc(SCC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000012195967 539549309 /nfs/dbraw/zinc/54/93/09/539549309.db2.gz YKTHUHOVZPTXOF-MRXNPFEDSA-N 1 0 360.483 2.293 50 0 FEAARO CN1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000012302583 539552835 /nfs/dbraw/zinc/55/28/35/539552835.db2.gz FNCIXTZKVIRVHK-HNNXBMFYSA-N 1 0 355.404 2.490 50 0 FEAARO C[NH+](C)C1(CNC(=O)c2cn(Cc3ccc(F)cc3)nn2)CCCCC1 ZINC000012387409 539557155 /nfs/dbraw/zinc/55/71/55/539557155.db2.gz OSHYGCVRUPMGSM-UHFFFAOYSA-N 1 0 359.449 2.460 50 0 FEAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012458664 539560910 /nfs/dbraw/zinc/56/09/10/539560910.db2.gz RVQCEWNZWGMCIW-QGZVFWFLSA-N 1 0 373.476 2.220 50 0 FEAARO COCCn1c(COc2ccc(Cl)cc2OC)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222977817 222760558 /nfs/dbraw/zinc/76/05/58/222760558.db2.gz PLALYQDFOYVJCF-BJHJDKERSA-N 1 0 366.849 2.370 50 0 FEAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012583983 539566789 /nfs/dbraw/zinc/56/67/89/539566789.db2.gz HLGJXSSOPVFZKO-LJQANCHMSA-N 1 0 370.497 2.353 50 0 FEAARO CC(C)C[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000012915654 539578922 /nfs/dbraw/zinc/57/89/22/539578922.db2.gz XZCQBYIDHKADIL-JQHSSLGASA-N 1 0 366.527 2.397 50 0 FEAARO Cn1cnnc1Sc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)o1 ZINC000014962472 539607617 /nfs/dbraw/zinc/60/76/17/539607617.db2.gz PRQLVBKUCLVESV-ZDUSSCGKSA-N 1 0 371.470 2.108 50 0 FEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(C(C)=O)cc3)c(C)n2)CC1 ZINC000015778168 539623289 /nfs/dbraw/zinc/62/32/89/539623289.db2.gz UXPABUMSXOYHCQ-UHFFFAOYSA-N 1 0 367.453 2.382 50 0 FEAARO O=C(NCCC[NH+]1CCCCC1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000021647541 539685770 /nfs/dbraw/zinc/68/57/70/539685770.db2.gz HDAPXKFFIYBGAH-UHFFFAOYSA-N 1 0 374.510 2.241 50 0 FEAARO Cn1cc(C[NH+]2CCC(Cn3cc(CCO)nn3)CC2)c2ccccc21 ZINC000023541665 539716018 /nfs/dbraw/zinc/71/60/18/539716018.db2.gz FZUFNOJKIUMYIW-UHFFFAOYSA-N 1 0 353.470 2.217 50 0 FEAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)OCCO2 ZINC000024978972 539744938 /nfs/dbraw/zinc/74/49/38/539744938.db2.gz DSIWEOXRBXPHSW-OLZOCXBDSA-N 1 0 369.421 2.235 50 0 FEAARO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000025410529 539758479 /nfs/dbraw/zinc/75/84/79/539758479.db2.gz DGNQPKUSTXOUAX-KRWDZBQOSA-N 1 0 365.477 2.488 50 0 FEAARO CN1CCc2c3ccccc3n(C[C@@H](O)C[NH2+]Cc3ccccc3)c2C1=O ZINC000000803236 219323323 /nfs/dbraw/zinc/32/33/23/219323323.db2.gz YGLFWRNQZUHRDA-KRWDZBQOSA-N 1 0 363.461 2.420 50 0 biogenic FEAARO Cc1ccc(C(=O)NCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000029840096 539865856 /nfs/dbraw/zinc/86/58/56/539865856.db2.gz GXKLTGANFSMTRH-UHFFFAOYSA-N 1 0 365.477 2.289 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000032268460 539932003 /nfs/dbraw/zinc/93/20/03/539932003.db2.gz ATQGFJPLMJIXNO-CQSZACIVSA-N 1 0 368.861 2.198 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000032441108 539939428 /nfs/dbraw/zinc/93/94/28/539939428.db2.gz NXCHVFFVTCLFRT-UONOGXRCSA-N 1 0 354.472 2.014 50 0 FEAARO CC(=O)N1C[C@H](C(=O)NC[C@H](c2ccccc2)[NH+](C)C)Oc2ccccc21 ZINC000032819033 539954353 /nfs/dbraw/zinc/95/43/53/539954353.db2.gz IDUOSKUZUIWCTQ-UYAOXDASSA-N 1 0 367.449 2.220 50 0 FEAARO COc1ccccc1N1C[C@@H](C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O ZINC000032960790 539960957 /nfs/dbraw/zinc/96/09/57/539960957.db2.gz MFSGERBPRMOOKZ-INIZCTEOSA-N 1 0 373.497 2.429 50 0 FEAARO C[N@@H+]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000032963987 539961803 /nfs/dbraw/zinc/96/18/03/539961803.db2.gz URVNTGCCDUBUKA-CMDGGOBGSA-N 1 0 355.482 2.103 50 0 FEAARO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000033040103 539964313 /nfs/dbraw/zinc/96/43/13/539964313.db2.gz VMCMZYNGCUFGJF-KGLIPLIRSA-N 1 0 361.467 2.320 50 0 FEAARO CN(C)c1ccc(-c2noc(CCC(=O)NCCC[NH+]3CCCC3)n2)cc1 ZINC000033283558 539973023 /nfs/dbraw/zinc/97/30/23/539973023.db2.gz SXFGPQKJFREMCW-UHFFFAOYSA-N 1 0 371.485 2.337 50 0 FEAARO COc1ccc(N2C[C@H](C(=O)N3CC[NH+](C4CCCC4)CC3)CC2=O)cc1 ZINC000034917697 539978320 /nfs/dbraw/zinc/97/83/20/539978320.db2.gz CIONGCSQBBSKPX-MRXNPFEDSA-N 1 0 371.481 2.135 50 0 FEAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(-c2cc(C)[nH]n2)sc1C ZINC000035528113 539983202 /nfs/dbraw/zinc/98/32/02/539983202.db2.gz AQGSEGROZARSMC-UHFFFAOYSA-N 1 0 356.517 2.375 50 0 FEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1 ZINC000040091407 540006449 /nfs/dbraw/zinc/00/64/49/540006449.db2.gz DXZHCRDPTLZNMY-APWZRJJASA-N 1 0 374.460 2.043 50 0 FEAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCC2(CC1)OCCO2)CC3 ZINC000002209162 219431203 /nfs/dbraw/zinc/43/12/03/219431203.db2.gz KXNKNINNZCJHII-UHFFFAOYSA-N 1 0 369.465 2.200 50 0 FEAARO CC1(C)Cc2c(sc3c2c(N)nc(=O)n3CC[NH+]2CCCCC2)CO1 ZINC000040266780 540009125 /nfs/dbraw/zinc/00/91/25/540009125.db2.gz HIIYNBWAHQUTOL-UHFFFAOYSA-N 1 0 362.499 2.377 50 0 FEAARO C[NH+](C)CCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000040719384 540011012 /nfs/dbraw/zinc/01/10/12/540011012.db2.gz YILYPCIRNIVDDN-UHFFFAOYSA-N 1 0 352.442 2.496 50 0 FEAARO CC(C)[C@@H]1SC[C@H](C(=O)NCC[NH+](C)C)N1C(=O)c1ccc(F)cc1 ZINC000006834609 219776964 /nfs/dbraw/zinc/77/69/64/219776964.db2.gz GVKOKOLFVPXKLE-QAPCUYQASA-N 1 0 367.490 2.043 50 0 FEAARO O=C1C[C@H](C[N@H+]2CCOc3ccc(CO)cc3C2)CN1c1ccccc1 ZINC000299769349 223088376 /nfs/dbraw/zinc/08/83/76/223088376.db2.gz PAEMYYJMZCFELC-QGZVFWFLSA-N 1 0 352.434 2.426 50 0 FEAARO Cc1nnc(-c2ccc(C)c(NC(=O)NCC[N@@H+]3CCCC[C@@H]3CO)c2)o1 ZINC000299786839 223096373 /nfs/dbraw/zinc/09/63/73/223096373.db2.gz QZJWWNICQJVPMR-MRXNPFEDSA-N 1 0 373.457 2.322 50 0 FEAARO C[C@H](NC(=O)CSCC[NH+]1CCCC1)c1nncn1C1CCCC1 ZINC000299802273 223106012 /nfs/dbraw/zinc/10/60/12/223106012.db2.gz YQGSCFSCEBCXON-AWEZNQCLSA-N 1 0 351.520 2.399 50 0 FEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000299787666 223098246 /nfs/dbraw/zinc/09/82/46/223098246.db2.gz YPUXGZHKHRUHAO-MRXNPFEDSA-N 1 0 357.458 2.352 50 0 FEAARO Cc1cc(=O)cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)n1C ZINC000299796054 223101463 /nfs/dbraw/zinc/10/14/63/223101463.db2.gz NCAZHASHFNPBME-UHFFFAOYSA-N 1 0 367.493 2.474 50 0 FEAARO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C[C@H]2O)no1 ZINC000299800692 223103921 /nfs/dbraw/zinc/10/39/21/223103921.db2.gz XLLZJXCCDBYLBP-NVXWUHKLSA-N 1 0 355.394 2.094 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC(C)CC3)C2=O)c1 ZINC000011767429 219933072 /nfs/dbraw/zinc/93/30/72/219933072.db2.gz UUDJGOJNIFSNMW-HXUWFJFHSA-N 1 0 364.461 2.420 50 0 FEAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CCN2CCCO2)CC1 ZINC000012471516 220000434 /nfs/dbraw/zinc/00/04/34/220000434.db2.gz IAPZLPXOGYCKPV-UHFFFAOYSA-N 1 0 359.514 2.427 50 0 FEAARO CNc1ncc(CN(C)C(=O)c2cccc(CC3CC[NH2+]CC3)c2)cn1 ZINC000072128413 541785402 /nfs/dbraw/zinc/78/54/02/541785402.db2.gz SKHSXWKUVOBYLM-UHFFFAOYSA-N 1 0 353.470 2.333 50 0 FEAARO CNC(=O)CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072144803 541788378 /nfs/dbraw/zinc/78/83/78/541788378.db2.gz LYDFSKVCZOCCMK-GOSISDBHSA-N 1 0 363.477 2.411 50 0 FEAARO Cc1c(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000072150432 541789814 /nfs/dbraw/zinc/78/98/14/541789814.db2.gz FYPIUVPULPLSJM-PWRODBHTSA-N 1 0 352.482 2.496 50 0 FEAARO CCN1C(=O)NC(=O)C12CC[NH+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000072154141 541790368 /nfs/dbraw/zinc/79/03/68/541790368.db2.gz ZRHIJUYUHCJSBB-UHFFFAOYSA-N 1 0 359.455 2.045 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072164953 541794474 /nfs/dbraw/zinc/79/44/74/541794474.db2.gz RMPGVDDANAVGTP-ZDUSSCGKSA-N 1 0 363.408 2.495 50 0 FEAARO O=C(c1cnc2cccnn12)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072170388 541795498 /nfs/dbraw/zinc/79/54/98/541795498.db2.gz UZJLLVTYVJMQGX-DUXKGJEZSA-N 1 0 373.460 2.432 50 0 FEAARO C[NH+](C)CCn1cc(NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)cn1 ZINC000072309718 541798576 /nfs/dbraw/zinc/79/85/76/541798576.db2.gz OSYOZQKLLCGNCT-LJQANCHMSA-N 1 0 371.485 2.422 50 0 FEAARO CO[C@H]1[C@H](NC(=O)c2cc(C3CC3)n[nH]2)c2ccccc2C12CC[NH2+]CC2 ZINC000072424887 541809814 /nfs/dbraw/zinc/80/98/14/541809814.db2.gz HIRNVZRGJZBVLU-MOPGFXCFSA-N 1 0 366.465 2.408 50 0 FEAARO CC[C@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000072428724 541812125 /nfs/dbraw/zinc/81/21/25/541812125.db2.gz HXJKFSQVRXAULP-AWEZNQCLSA-N 1 0 357.458 2.327 50 0 FEAARO c1cn(CCCn2nnc3ccccc32)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072435838 541814313 /nfs/dbraw/zinc/81/43/13/541814313.db2.gz SZYSLGKVAVQNMN-UHFFFAOYSA-N 1 0 362.441 2.075 50 0 FEAARO CCC[C@@H](Nc1nc(COCC)nc2c1CC[NH2+]CC2)c1nccn1C ZINC000072477064 541819193 /nfs/dbraw/zinc/81/91/93/541819193.db2.gz IRRKZNOMOVNMIT-MRXNPFEDSA-N 1 0 358.490 2.388 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072448167 541815955 /nfs/dbraw/zinc/81/59/55/541815955.db2.gz VPXISIUKUXTSJR-GOSISDBHSA-N 1 0 355.486 2.027 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000013038807 220055242 /nfs/dbraw/zinc/05/52/42/220055242.db2.gz SQSUUXFOZHXXCG-UHFFFAOYSA-N 1 0 367.515 2.448 50 0 FEAARO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)NC[C@H](c1ccco1)N(C)C)(C3)C2 ZINC000013129125 220058772 /nfs/dbraw/zinc/05/87/72/220058772.db2.gz QQYANPIIHVTJET-LNYVXCIOSA-N 1 0 373.497 2.474 50 0 FEAARO CC(C)OCC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2C)C1 ZINC000014744532 220132696 /nfs/dbraw/zinc/13/26/96/220132696.db2.gz KAYWWCOIFBMTDH-MRXNPFEDSA-N 1 0 362.518 2.308 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)CCNC(=O)NC1CCCCC1 ZINC000014848728 220134127 /nfs/dbraw/zinc/13/41/27/220134127.db2.gz FLGGKXPNCKBZPI-UHFFFAOYSA-N 1 0 360.502 2.386 50 0 FEAARO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000014975775 220138231 /nfs/dbraw/zinc/13/82/31/220138231.db2.gz ROBHQPOGBNQIFD-IBGZPJMESA-N 1 0 350.434 2.295 50 0 FEAARO C/C=C(\C)C[N@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000014987581 220140042 /nfs/dbraw/zinc/14/00/42/220140042.db2.gz RUMDKCVAIUERQQ-CRKCGEKBSA-N 1 0 371.460 2.100 50 0 FEAARO O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)NC[C@@H]1CCCO1 ZINC000015076219 220146765 /nfs/dbraw/zinc/14/67/65/220146765.db2.gz IWTTZCFABAHVDP-INIZCTEOSA-N 1 0 350.459 2.059 50 0 FEAARO COCCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000015105694 220148172 /nfs/dbraw/zinc/14/81/72/220148172.db2.gz ZHHUTJYIAATGGJ-QGZVFWFLSA-N 1 0 363.458 2.085 50 0 FEAARO CCCCN(C1CC[NH+](CC)CC1)S(=O)(=O)c1csc(C(N)=O)c1 ZINC000015731433 220162945 /nfs/dbraw/zinc/16/29/45/220162945.db2.gz YFQMIAJHMGERNZ-UHFFFAOYSA-N 1 0 373.544 2.122 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 ZINC000017794392 220217169 /nfs/dbraw/zinc/21/71/69/220217169.db2.gz MDMAUDASLTWUOD-GOSISDBHSA-N 1 0 368.412 2.024 50 0 FEAARO Cc1cccnc1CN1CCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000077321038 542367019 /nfs/dbraw/zinc/36/70/19/542367019.db2.gz JUSMVAYJZDTBHE-GOSISDBHSA-N 1 0 364.493 2.425 50 0 FEAARO CC[NH+]1CCN(CCOc2ccc(I)cc2)CC1 ZINC000020389946 220325930 /nfs/dbraw/zinc/32/59/30/220325930.db2.gz WEYRDWWFCJYKOR-UHFFFAOYSA-N 1 0 360.239 2.308 50 0 FEAARO CCSc1ccc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)s1 ZINC000077376459 542374422 /nfs/dbraw/zinc/37/44/22/542374422.db2.gz NSYHHLBMZCFYIU-KRWDZBQOSA-N 1 0 370.540 2.159 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](CCOc3ccc(Cl)cc3)C2)CN1CCO ZINC000077423873 542380991 /nfs/dbraw/zinc/38/09/91/542380991.db2.gz WIXVGKZSYTYINE-IBGZPJMESA-N 1 0 366.889 2.416 50 0 FEAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077440338 542382256 /nfs/dbraw/zinc/38/22/56/542382256.db2.gz YUSVHBSLYIZSHK-HXUWFJFHSA-N 1 0 358.461 2.434 50 0 FEAARO Cc1ncc(C(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)c(=O)[nH]1 ZINC000077485760 542387274 /nfs/dbraw/zinc/38/72/74/542387274.db2.gz CYTFQAXKXBAVPM-UHFFFAOYSA-N 1 0 354.454 2.063 50 0 FEAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582389 220391504 /nfs/dbraw/zinc/39/15/04/220391504.db2.gz AXJYPLSKVAAONL-NRFANRHFSA-N 1 0 367.493 2.479 50 0 FEAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1 ZINC000022767125 220397652 /nfs/dbraw/zinc/39/76/52/220397652.db2.gz QCRYFHLWXZTHRH-KRWDZBQOSA-N 1 0 365.524 2.015 50 0 FEAARO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCC3)CC2)[nH]1 ZINC000033024357 220711077 /nfs/dbraw/zinc/71/10/77/220711077.db2.gz YUELMNHMJHSLKF-UHFFFAOYSA-N 1 0 374.529 2.476 50 0 FEAARO Cc1cccc(OCCNC(=O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052004139 221037207 /nfs/dbraw/zinc/03/72/07/221037207.db2.gz RPMYXGYLJUMLCL-UHFFFAOYSA-N 1 0 359.514 2.440 50 0 FEAARO Cc1nsc(NC(=O)NCC2([NH+]3CCOCC3)CCCCCC2)n1 ZINC000055281049 221065012 /nfs/dbraw/zinc/06/50/12/221065012.db2.gz NUEVIZGPQYIXBP-UHFFFAOYSA-N 1 0 353.492 2.393 50 0 FEAARO CN(C)S(=O)(=O)c1ccc(NC(=O)CC[N@H+](C)C2CCCC2)cc1 ZINC000054429122 221053107 /nfs/dbraw/zinc/05/31/07/221053107.db2.gz RQXQMBDBLJHMSY-UHFFFAOYSA-N 1 0 353.488 2.140 50 0 FEAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000058179163 221103244 /nfs/dbraw/zinc/10/32/44/221103244.db2.gz JSAAFDVBRUPNGY-ZDUSSCGKSA-N 1 0 359.392 2.104 50 0 FEAARO Cc1cc(=O)c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nn1-c1ccccc1 ZINC000058203440 221106043 /nfs/dbraw/zinc/10/60/43/221106043.db2.gz IZOOCRSVNYRKSO-KRWDZBQOSA-N 1 0 368.481 2.391 50 0 FEAARO CN(C)C(=O)c1ccc(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058209986 221107106 /nfs/dbraw/zinc/10/71/06/221107106.db2.gz BIRBJGIOGPLLLN-UHFFFAOYSA-N 1 0 372.513 2.277 50 0 FEAARO CCOC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000057996653 221096630 /nfs/dbraw/zinc/09/66/30/221096630.db2.gz BVWCTVCHFHZOIA-OAHLLOKOSA-N 1 0 362.474 2.011 50 0 FEAARO COc1cc(CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000058077906 221098482 /nfs/dbraw/zinc/09/84/82/221098482.db2.gz ABZADUCXWJAAKS-HNNXBMFYSA-N 1 0 364.486 2.492 50 0 FEAARO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1NS(C)(=O)=O ZINC000058248999 221111518 /nfs/dbraw/zinc/11/15/18/221111518.db2.gz VTAJCQMMAZYDED-HNNXBMFYSA-N 1 0 367.515 2.217 50 0 FEAARO CC(C)[NH+]1CCN(Cc2nc(-c3ccc(N4CCCC4)nc3)no2)CC1 ZINC000065215867 221181351 /nfs/dbraw/zinc/18/13/51/221181351.db2.gz SIXJSXKTMPYDBS-UHFFFAOYSA-N 1 0 356.474 2.258 50 0 FEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCC[NH+]1CCCCCC1)nc2N(C)C ZINC000065231979 221183616 /nfs/dbraw/zinc/18/36/16/221183616.db2.gz BFODZQLIBJEPNU-UHFFFAOYSA-N 1 0 370.501 2.313 50 0 FEAARO CCCC[NH+]1CCN(C(=O)c2nc3cccnc3n(CC(C)C)c2=O)CC1 ZINC000065282908 221193045 /nfs/dbraw/zinc/19/30/45/221193045.db2.gz RJBIAOWSWTYHPP-UHFFFAOYSA-N 1 0 371.485 2.005 50 0 FEAARO CCn1cc(SCC(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)c2ccccc21 ZINC000065383609 221207543 /nfs/dbraw/zinc/20/75/43/221207543.db2.gz BHWZVQXRFFUTAG-CABCVRRESA-N 1 0 361.511 2.277 50 0 FEAARO CC(C)C[C@H](NC(=O)C1Cc2ccccc2C1)c1nnc2n1CC[NH2+]CC2 ZINC000067514962 221258514 /nfs/dbraw/zinc/25/85/14/221258514.db2.gz KNRQVJFPZOUPHB-SFHVURJKSA-N 1 0 367.497 2.042 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000067713575 221275186 /nfs/dbraw/zinc/27/51/86/221275186.db2.gz UFTRDFYNZHTSKO-YOEHRIQHSA-N 1 0 356.470 2.195 50 0 FEAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067714803 221275978 /nfs/dbraw/zinc/27/59/78/221275978.db2.gz FEBCLSSJDHVYFV-INIZCTEOSA-N 1 0 373.363 2.061 50 0 FEAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000067695050 221273701 /nfs/dbraw/zinc/27/37/01/221273701.db2.gz HEIHQMAKQINDAI-SKDRFNHKSA-N 1 0 363.767 2.037 50 0 FEAARO COc1ccc(OC)c(CN(C(=O)[C@@H]2C[C@H]([NH3+])CN2C)C2CCCC2)c1 ZINC000067804644 221287584 /nfs/dbraw/zinc/28/75/84/221287584.db2.gz LWWXZPVDDLJVGH-YJBOKZPZSA-N 1 0 361.486 2.006 50 0 FEAARO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1(Nc2ccc(C)c(C)c2)CCCCC1 ZINC000067804869 221288466 /nfs/dbraw/zinc/28/84/66/221288466.db2.gz SHGQGRFKJJYARN-AEFFLSMTSA-N 1 0 372.513 2.092 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)CNc2ccc(Cl)cc2)CC1 ZINC000067805518 221288773 /nfs/dbraw/zinc/28/87/73/221288773.db2.gz ICCYYYVJFDXQMY-UHFFFAOYSA-N 1 0 373.888 2.215 50 0 FEAARO O=C1NC(=O)[C@@](c2ccccn2)(C2CC[NH+](C/C=C/c3ccco3)CC2)N1 ZINC000067754834 221279886 /nfs/dbraw/zinc/27/98/86/221279886.db2.gz MZYRHDDQUUWJDV-GECPCNCSSA-N 1 0 366.421 2.135 50 0 FEAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]CCc3ccc(C)o3)C2=O)c1 ZINC000067772443 221282756 /nfs/dbraw/zinc/28/27/56/221282756.db2.gz LOIVZQRFEDNASR-OAQYLSRUSA-N 1 0 372.465 2.282 50 0 FEAARO Cc1cccn2c(=O)c(C[N@@H+](C[C@@H]3CCC(=O)N3)C(C)C)c(Cl)nc12 ZINC000067834023 221290706 /nfs/dbraw/zinc/29/07/06/221290706.db2.gz HPJJCOYFHYBORK-ZDUSSCGKSA-N 1 0 362.861 2.145 50 0 FEAARO CCn1ncc(C[NH+]2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)c1C ZINC000067867586 221296793 /nfs/dbraw/zinc/29/67/93/221296793.db2.gz QQCNRVDOBBFBFV-UHFFFAOYSA-N 1 0 366.469 2.465 50 0 FEAARO C[NH+]1CCN(Cc2ccccc2Oc2nc3c(cc2C(N)=O)CCC3)CC1 ZINC000067881844 221299726 /nfs/dbraw/zinc/29/97/26/221299726.db2.gz AFKYBNAJSREJJX-UHFFFAOYSA-N 1 0 366.465 2.209 50 0 FEAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H](C)O)CC1 ZINC000067895619 221302372 /nfs/dbraw/zinc/30/23/72/221302372.db2.gz GUZNPTMDAYYDHE-CQSZACIVSA-N 1 0 358.442 2.162 50 0 FEAARO Cc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCO[C@@H](C[NH3+])C1 ZINC000067947697 221308066 /nfs/dbraw/zinc/30/80/66/221308066.db2.gz DSJNXKOXQQYQES-HNNXBMFYSA-N 1 0 350.850 2.334 50 0 FEAARO COCc1ncc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000067947276 221308374 /nfs/dbraw/zinc/30/83/74/221308374.db2.gz DVANZLMLQKATON-FQEVSTJZSA-N 1 0 352.482 2.298 50 0 FEAARO O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000070037464 221330383 /nfs/dbraw/zinc/33/03/83/221330383.db2.gz GILIYRGIWXEMCL-ROUUACIJSA-N 1 0 367.449 2.250 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2cnc[nH]c2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746873 221359722 /nfs/dbraw/zinc/35/97/22/221359722.db2.gz KCELSYRFYDSWSD-GOSISDBHSA-N 1 0 372.444 2.282 50 0 FEAARO C[N@@H+]1CCCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1 ZINC000071751500 221362681 /nfs/dbraw/zinc/36/26/81/221362681.db2.gz IUGJFJQTZGPMQM-UHFFFAOYSA-N 1 0 361.515 2.159 50 0 FEAARO CCC[C@H](CNc1ncnc2c1CCN(C(=O)c1cccnc1)C2)[NH+](C)C ZINC000071759665 221367091 /nfs/dbraw/zinc/36/70/91/221367091.db2.gz SCTPASHZOPWYRT-MRXNPFEDSA-N 1 0 368.485 2.212 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000071768182 221372587 /nfs/dbraw/zinc/37/25/87/221372587.db2.gz CCSBFTOXGPVNKD-UHFFFAOYSA-N 1 0 368.481 2.043 50 0 FEAARO Cc1ccccc1CN(C)c1ncc(S(C)(=O)=O)c([C@@H]2CCC[NH2+]C2)n1 ZINC000071774628 221374030 /nfs/dbraw/zinc/37/40/30/221374030.db2.gz SWFGSYMPBPGFRN-OAHLLOKOSA-N 1 0 374.510 2.292 50 0 FEAARO COc1ccc2c(c1)nc(C)cc2C(=O)N1CCOC[C@@H](C[NH+](C)C)C1 ZINC000299774654 533305813 /nfs/dbraw/zinc/30/58/13/533305813.db2.gz IPFFQKCCNGOKRP-HNNXBMFYSA-N 1 0 357.454 2.202 50 0 FEAARO COc1ccc(C[NH+]2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)cc1 ZINC000299796151 533554515 /nfs/dbraw/zinc/55/45/15/533554515.db2.gz NQVWVTOUYSVVGS-UHFFFAOYSA-N 1 0 357.458 2.262 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ncc(Cl)cc3Cl)CC[C@H]21 ZINC000077380471 132182608 /nfs/dbraw/zinc/18/26/08/132182608.db2.gz GDEKXPDRJXGEMK-SMDDNHRTSA-N 1 0 357.285 2.425 50 0 FEAARO COc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)c(OC)n1 ZINC000077392798 132183526 /nfs/dbraw/zinc/18/35/26/132183526.db2.gz BPEQBRHNZFMZPP-UHFFFAOYSA-N 1 0 356.426 2.073 50 0 FEAARO CC(C)Cc1nc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)no1 ZINC000085532662 132199521 /nfs/dbraw/zinc/19/95/21/132199521.db2.gz QVJJPSGYJLFEDM-UHFFFAOYSA-N 1 0 355.442 2.349 50 0 FEAARO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(N3CCOCC3)c2)C1 ZINC000091594154 132202527 /nfs/dbraw/zinc/20/25/27/132202527.db2.gz BGXORISWLFGKSD-UYAOXDASSA-N 1 0 372.513 2.101 50 0 FEAARO CCn1c(Cn2cncn2)nnc1C1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000091713173 132203277 /nfs/dbraw/zinc/20/32/77/132203277.db2.gz TULFXQNAAQHVQE-UHFFFAOYSA-N 1 0 352.446 2.025 50 0 FEAARO CN1CC[C@]2(CN(c3ncccc3C(F)(F)F)CC[N@@H+]2C)CCC1=O ZINC000091807914 132203875 /nfs/dbraw/zinc/20/38/75/132203875.db2.gz QOZZWVCSCBXAFP-INIZCTEOSA-N 1 0 356.392 2.233 50 0 FEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000095351995 132207022 /nfs/dbraw/zinc/20/70/22/132207022.db2.gz AGYOYNCUEFRCDZ-KRWDZBQOSA-N 1 0 367.449 2.367 50 0 FEAARO Cc1cccc(C[NH+]2CCN(c3nccc(N4CCC[C@@H](O)C4)n3)CC2)c1 ZINC000095521156 132213969 /nfs/dbraw/zinc/21/39/69/132213969.db2.gz IDBKFAMXZCVSLT-LJQANCHMSA-N 1 0 367.497 2.068 50 0 FEAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000238009414 132249005 /nfs/dbraw/zinc/24/90/05/132249005.db2.gz YWKHADZMWBWONR-OCCSQVGLSA-N 1 0 367.291 2.010 50 0 FEAARO COc1ccc([C@@H](O)C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)cc1 ZINC000215532171 132270135 /nfs/dbraw/zinc/27/01/35/132270135.db2.gz KWHSSQNTNDVYJO-LJQANCHMSA-N 1 0 355.438 2.089 50 0 FEAARO Cc1nc([C@@H]2CCCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)C2)no1 ZINC000216089023 132270700 /nfs/dbraw/zinc/27/07/00/132270700.db2.gz NKYVEIXMVQKTHP-QGZVFWFLSA-N 1 0 369.469 2.150 50 0 FEAARO CN(C)c1nc(C2CC([NH3+])C2)cc(N2CCC(CCn3cccn3)CC2)n1 ZINC000222623680 132277486 /nfs/dbraw/zinc/27/74/86/132277486.db2.gz HMCPENDOUDIWNF-UHFFFAOYSA-N 1 0 369.517 2.251 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000223583852 132279545 /nfs/dbraw/zinc/27/95/45/132279545.db2.gz PAILUMQWACHMNI-UHFFFAOYSA-N 1 0 358.877 2.244 50 0 FEAARO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000223894772 132280413 /nfs/dbraw/zinc/28/04/13/132280413.db2.gz HQPLJVNOBABCGS-UHFFFAOYSA-N 1 0 356.470 2.406 50 0 FEAARO CC[C@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)[C@H]1C[C@@H](O)C1 ZINC000244723858 132290425 /nfs/dbraw/zinc/29/04/25/132290425.db2.gz MIVXKRVMHSMOKF-SXLOBPIMSA-N 1 0 359.514 2.173 50 0 FEAARO Cc1cc(C)cc(N2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)ncn3)CC2=O)c1 ZINC000244840304 132291299 /nfs/dbraw/zinc/29/12/99/132291299.db2.gz UKSGLPVWIGTGAQ-IYBDPMFKSA-N 1 0 351.454 2.151 50 0 FEAARO COCCN1C[C@@H](C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC1=O ZINC000299795032 132300237 /nfs/dbraw/zinc/30/02/37/132300237.db2.gz KPQUGPXKJJQLCU-MRXNPFEDSA-N 1 0 365.905 2.265 50 0 FEAARO c1cc(C[NH2+]Cc2cccnc2N2CCOCC2)n(-c2nccs2)c1 ZINC000011813367 132306166 /nfs/dbraw/zinc/30/61/66/132306166.db2.gz HCSYPMGSKLXKCY-UHFFFAOYSA-N 1 0 355.467 2.455 50 0 FEAARO CN(C)C(=O)CSc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000089314023 542760569 /nfs/dbraw/zinc/76/05/69/542760569.db2.gz HVHGFHYKPUJSLH-HUUCEWRRSA-N 1 0 363.527 2.470 50 0 FEAARO Cc1ncsc1CCC(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000091326878 542805205 /nfs/dbraw/zinc/80/52/05/542805205.db2.gz NWKXTIVPRLBGHT-UHFFFAOYSA-N 1 0 359.499 2.113 50 0 FEAARO C[C@@H](CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)C[NH+](C)C ZINC000091441391 542808005 /nfs/dbraw/zinc/80/80/05/542808005.db2.gz FWJJRIJMRIIPPR-JHMRYYBSSA-N 1 0 372.513 2.165 50 0 FEAARO CC[C@H](CNC(=O)c1cnc(-c2ccccc2)[nH]c1=O)[NH+]1CCCCC1 ZINC000091526541 542811752 /nfs/dbraw/zinc/81/17/52/542811752.db2.gz VOIHVXJYDRCINP-MRXNPFEDSA-N 1 0 354.454 2.431 50 0 FEAARO CCC[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc3C2)C[C@@H]1NC(C)=O ZINC000091587223 542814372 /nfs/dbraw/zinc/81/43/72/542814372.db2.gz WOFNMFBWZHSBOQ-PMACEKPBSA-N 1 0 357.498 2.198 50 0 FEAARO Cc1occc1C(=O)N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091713396 542821073 /nfs/dbraw/zinc/82/10/73/542821073.db2.gz BFPFZGXLFUTUQP-MRXNPFEDSA-N 1 0 359.470 2.137 50 0 FEAARO O=C(COc1ccc(Cl)cc1Cl)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000091724807 542821379 /nfs/dbraw/zinc/82/13/79/542821379.db2.gz JTOULGBJVNCWQO-GJZGRUSLSA-N 1 0 373.280 2.430 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)c(C)o1 ZINC000091769209 542824642 /nfs/dbraw/zinc/82/46/42/542824642.db2.gz MOMPFNNHGITISU-KRWDZBQOSA-N 1 0 373.497 2.445 50 0 FEAARO O=C(Cc1ccc(CO)cc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091930941 542832587 /nfs/dbraw/zinc/83/25/87/542832587.db2.gz HNSWCTGGHRYRLY-LEWJYISDSA-N 1 0 365.477 2.239 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000091950809 542833158 /nfs/dbraw/zinc/83/31/58/542833158.db2.gz KIOKTNKTMLISTC-GOSISDBHSA-N 1 0 362.481 2.407 50 0 FEAARO CCN1CC[C@@]2(CN(C(=O)CCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000092028891 542839456 /nfs/dbraw/zinc/83/94/56/542839456.db2.gz NJPJHWZHVNHQIW-OAQYLSRUSA-N 1 0 357.498 2.164 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)on1 ZINC000092036960 542840489 /nfs/dbraw/zinc/84/04/89/542840489.db2.gz OKZDLNNRXWMEPC-UHFFFAOYSA-N 1 0 357.458 2.153 50 0 FEAARO COc1ccccc1/C=C/CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000092046984 542841088 /nfs/dbraw/zinc/84/10/88/542841088.db2.gz XQHFKBVYQBGXQD-PVHVJQTOSA-N 1 0 357.498 2.337 50 0 FEAARO c1cn(C[C@H]2CCc3ccccc3O2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000092097274 542844631 /nfs/dbraw/zinc/84/46/31/542844631.db2.gz DIAUNASFNJRUFI-QGZVFWFLSA-N 1 0 364.453 2.460 50 0 FEAARO OC[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H]1C[NH+]1CCCCCC1 ZINC000092106749 542845624 /nfs/dbraw/zinc/84/56/24/542845624.db2.gz CIUMIMZFZQJANB-ZIAGYGMSSA-N 1 0 358.408 2.416 50 0 FEAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)[C@@H](C)n3ccnc3)CC2)c1 ZINC000052899843 136124647 /nfs/dbraw/zinc/12/46/47/136124647.db2.gz DRRLXINHDYGMJG-RTBURBONSA-N 1 0 369.513 2.470 50 0 FEAARO COCCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055414703 136126717 /nfs/dbraw/zinc/12/67/17/136126717.db2.gz GTEHMTJUAGTDNQ-SFHVURJKSA-N 1 0 365.905 2.490 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 ZINC000095369900 542961923 /nfs/dbraw/zinc/96/19/23/542961923.db2.gz JXAKZLOPLGWXKO-SFHVURJKSA-N 1 0 361.461 2.261 50 0 FEAARO COc1cccc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000058186050 136130829 /nfs/dbraw/zinc/13/08/29/136130829.db2.gz GIJNXBIHTUXDAO-UHFFFAOYSA-N 1 0 355.442 2.164 50 0 FEAARO CN(C)[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1cccc(F)c1 ZINC000095370341 542962258 /nfs/dbraw/zinc/96/22/58/542962258.db2.gz OZEPEGHQZCRLKD-GOSISDBHSA-N 1 0 365.518 2.468 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799793 136133904 /nfs/dbraw/zinc/13/39/04/136133904.db2.gz FWUSAMHAIIFTPH-UHFFFAOYSA-N 1 0 355.442 2.331 50 0 FEAARO Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCCCCC3)CC2)n1 ZINC000065001705 136134378 /nfs/dbraw/zinc/13/43/78/136134378.db2.gz AIRSHXYBOMESFM-UHFFFAOYSA-N 1 0 359.518 2.384 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNC(=O)c1ccccc1Cl ZINC000095372062 542962701 /nfs/dbraw/zinc/96/27/01/542962701.db2.gz WWKOAVVGFAYDPP-AWEZNQCLSA-N 1 0 351.878 2.451 50 0 FEAARO Cc1cc(N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)nc(N)[nH+]1 ZINC000067673276 136137330 /nfs/dbraw/zinc/13/73/30/136137330.db2.gz XWISHXXIGLOQDH-UHFFFAOYSA-N 1 0 351.366 2.314 50 0 FEAARO Cc1nc(CC(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cs1 ZINC000095374580 542963475 /nfs/dbraw/zinc/96/34/75/542963475.db2.gz OSSYWDSUHXIOQA-HNNXBMFYSA-N 1 0 361.515 2.158 50 0 FEAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCc3ccccn3)CC2)c1C ZINC000072424629 136146487 /nfs/dbraw/zinc/14/64/87/136146487.db2.gz MYTDZEBCGJBTLD-UHFFFAOYSA-N 1 0 350.470 2.414 50 0 FEAARO CCc1cc(N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n2nc(C)c(C)c2n1 ZINC000072435403 136147261 /nfs/dbraw/zinc/14/72/61/136147261.db2.gz JFUNCKKAHITYHV-ROUUACIJSA-N 1 0 357.502 2.334 50 0 FEAARO c1cnn(-c2cccc(N3CCC([NH2+]CCSc4c[nH]nn4)CC3)c2)c1 ZINC000023337813 136152613 /nfs/dbraw/zinc/15/26/13/136152613.db2.gz OVCDMJVXBUMTEX-UHFFFAOYSA-N 1 0 369.498 2.341 50 0 FEAARO c1c(C[NH+]2CCCCCC2)nnn1CC1CCN(c2cnccn2)CC1 ZINC000023506956 136153094 /nfs/dbraw/zinc/15/30/94/136153094.db2.gz GWFIMZWYVXOZNY-UHFFFAOYSA-N 1 0 355.490 2.361 50 0 FEAARO C[N@@H+]1CCN(C(=O)CCc2ccccc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000095355961 542958001 /nfs/dbraw/zinc/95/80/01/542958001.db2.gz NJXSTIPTLOCRPE-LJQANCHMSA-N 1 0 363.889 2.086 50 0 FEAARO O=C(NC[C@H]1C[NH2+]CCOC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095379234 542964798 /nfs/dbraw/zinc/96/47/98/542964798.db2.gz KBMNSJDPLRYEER-CQSZACIVSA-N 1 0 368.412 2.106 50 0 FEAARO O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384973 542966260 /nfs/dbraw/zinc/96/62/60/542966260.db2.gz ZUGYCWXJZKZAFA-OAHLLOKOSA-N 1 0 356.470 2.113 50 0 FEAARO CC(C)n1cncc1C[N@@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095391747 542968432 /nfs/dbraw/zinc/96/84/32/542968432.db2.gz VWWPVENHPKAGJJ-YLJYHZDGSA-N 1 0 360.502 2.049 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)c3ccc[nH]c3=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095388598 542967207 /nfs/dbraw/zinc/96/72/07/542967207.db2.gz PMZSSUMSZRMABN-VAMGGRTRSA-N 1 0 363.461 2.386 50 0 FEAARO Cn1cc(CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cn1 ZINC000095392942 542969423 /nfs/dbraw/zinc/96/94/23/542969423.db2.gz MCOSIFJJGDSNTM-WOJBJXKFSA-N 1 0 352.482 2.476 50 0 FEAARO COCCC1([NH2+]CCOc2ccc(S(=O)(=O)N(C)C)cc2)CCCC1 ZINC000095454713 542971102 /nfs/dbraw/zinc/97/11/02/542971102.db2.gz YLBVUDNNJKKZJN-UHFFFAOYSA-N 1 0 370.515 2.255 50 0 FEAARO CC(C)Cc1nc(CN[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)no1 ZINC000095462569 542972058 /nfs/dbraw/zinc/97/20/58/542972058.db2.gz JLGXJFDNZVCZDD-SFHVURJKSA-N 1 0 357.502 2.346 50 0 FEAARO COc1cc(C(=O)NCCO)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095507230 542976088 /nfs/dbraw/zinc/97/60/88/542976088.db2.gz UWGNLOFFZRZNIR-UHFFFAOYSA-N 1 0 362.470 2.203 50 0 FEAARO COc1ccc(OC[C@H](O)C[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000095918124 542982672 /nfs/dbraw/zinc/98/26/72/542982672.db2.gz IRLZFAWDSQRDHV-MRXNPFEDSA-N 1 0 361.438 2.284 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cncc(Cl)c1)CC2 ZINC000095519359 542978911 /nfs/dbraw/zinc/97/89/11/542978911.db2.gz GIABZYDQXCERCG-UHFFFAOYSA-N 1 0 359.861 2.468 50 0 FEAARO Cc1nonc1CC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095520567 542979039 /nfs/dbraw/zinc/97/90/39/542979039.db2.gz CRIBTSIPULEYFE-IOMROCGXSA-N 1 0 366.465 2.318 50 0 FEAARO OC[C@@H]1CCCC[N@@H+]1CCNc1ncnc2c1Cc1ccccc1OC2 ZINC000095517151 542979050 /nfs/dbraw/zinc/97/90/50/542979050.db2.gz AWTQCGSXARNJIL-INIZCTEOSA-N 1 0 354.454 2.219 50 0 FEAARO C[N@@H+]1CCN(CCCc2cccnc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000108037650 543282166 /nfs/dbraw/zinc/28/21/66/543282166.db2.gz KNEKINQDWUHXJX-JOCHJYFZSA-N 1 0 370.541 2.423 50 0 FEAARO CS(=O)(=O)c1cnc(NCCc2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000072448296 221534402 /nfs/dbraw/zinc/53/44/02/221534402.db2.gz YLABSGDEQRBILI-HNNXBMFYSA-N 1 0 360.483 2.002 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072473911 221547479 /nfs/dbraw/zinc/54/74/79/221547479.db2.gz LAVKMDIQIGFITM-GOEBONIOSA-N 1 0 355.404 2.477 50 0 FEAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)c1C ZINC000077287529 221599693 /nfs/dbraw/zinc/59/96/93/221599693.db2.gz ZCDLXTOYIAONTB-HNNXBMFYSA-N 1 0 370.497 2.161 50 0 FEAARO NC(=O)CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091695698 221785232 /nfs/dbraw/zinc/78/52/32/221785232.db2.gz CHWGJDUYQDJGGW-GOSISDBHSA-N 1 0 355.482 2.123 50 0 FEAARO CCNC(=O)N1CCC(NC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095361344 221861852 /nfs/dbraw/zinc/86/18/52/221861852.db2.gz LEKJLZNWPKSYQC-KRWDZBQOSA-N 1 0 358.486 2.077 50 0 FEAARO Nc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095388019 221894334 /nfs/dbraw/zinc/89/43/34/221894334.db2.gz OICHQMYBOVAYNL-DFQSSKMNSA-N 1 0 364.449 2.072 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Nc1ccc2[nH]ccc2c1 ZINC000096131921 222037184 /nfs/dbraw/zinc/03/71/84/222037184.db2.gz OJLFZSFVZRTGGG-MRXNPFEDSA-N 1 0 357.458 2.232 50 0 FEAARO Cc1nccn1CCC[N@@H+]1C[C@H]2C[NH+](C3CCCCC3)C[C@@]2(C(=O)[O-])C1 ZINC000096138131 222042609 /nfs/dbraw/zinc/04/26/09/222042609.db2.gz RLKXPYJMLYKEEH-PXNSSMCTSA-N 1 0 360.502 2.233 50 0 FEAARO CN1CC[NH+](Cc2ccc(-c3nc(C4CCCC4)nn3CCO)cc2)CC1 ZINC000096140711 222044858 /nfs/dbraw/zinc/04/48/58/222044858.db2.gz LEMDAUGLALSBRN-UHFFFAOYSA-N 1 0 369.513 2.342 50 0 FEAARO CCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](C3CCCC3)C2)ccn1 ZINC000096165873 222066802 /nfs/dbraw/zinc/06/68/02/222066802.db2.gz MTVCHINMIABKKO-MJGOQNOKSA-N 1 0 372.513 2.284 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)C[N@@H+]1C1CCCCC1 ZINC000096180065 222068286 /nfs/dbraw/zinc/06/82/86/222068286.db2.gz KNWMLBBUEWNKMG-MJGOQNOKSA-N 1 0 372.513 2.455 50 0 FEAARO Cc1nc2cc(NC(=O)N3CCN(CC[NH+]4CCCC4)CC3)ccc2[nH]1 ZINC000097553428 222193051 /nfs/dbraw/zinc/19/30/51/222193051.db2.gz FMBQYIFKHQFHLC-UHFFFAOYSA-N 1 0 356.474 2.117 50 0 FEAARO Cc1ccnc(-n2nc(COc3ccccc3)nc2C[C@@H]2COCC[NH2+]2)c1 ZINC000097642470 222201659 /nfs/dbraw/zinc/20/16/59/222201659.db2.gz QLRYMNNOMXSWQK-MRXNPFEDSA-N 1 0 365.437 2.081 50 0 FEAARO O=S(=O)(N1CCCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000097657258 222202554 /nfs/dbraw/zinc/20/25/54/222202554.db2.gz XNDJLTOBSPFGSJ-UHFFFAOYSA-N 1 0 365.543 2.358 50 0 FEAARO O=C(Cn1[nH]c2ccccc2c1=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097711614 222207724 /nfs/dbraw/zinc/20/77/24/222207724.db2.gz XQSWEANXJJFUDJ-KRWDZBQOSA-N 1 0 364.449 2.110 50 0 FEAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000097729560 222207790 /nfs/dbraw/zinc/20/77/90/222207790.db2.gz DOEIIUGDNUJVNX-GOSISDBHSA-N 1 0 372.513 2.201 50 0 FEAARO Cc1nnsc1C[N@H+](C)C[C@H]1[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]12 ZINC000101843737 222285417 /nfs/dbraw/zinc/28/54/17/222285417.db2.gz FDLWCGYEBOQQDR-OSYLJGHBSA-N 1 0 372.494 2.062 50 0 FEAARO COc1cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)cc(OC)c1OC ZINC000104332912 222356450 /nfs/dbraw/zinc/35/64/50/222356450.db2.gz GLFMAQLJAQHXBR-QGZVFWFLSA-N 1 0 366.502 2.237 50 0 FEAARO COc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1OCc1cccnc1 ZINC000105471341 222369039 /nfs/dbraw/zinc/36/90/39/222369039.db2.gz KFFPJOMFZOSJDY-SFHVURJKSA-N 1 0 357.454 2.089 50 0 FEAARO Cc1c[nH]c(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)c(C)c1=O ZINC000107005864 222390325 /nfs/dbraw/zinc/39/03/25/222390325.db2.gz MORQMPFWTCFFHU-IBGZPJMESA-N 1 0 361.530 2.441 50 0 FEAARO COc1ccc(-n2ccnc2CN2CC[N@H+](C(C)C)[C@H](CCO)C2)cc1 ZINC000107100615 222390844 /nfs/dbraw/zinc/39/08/44/222390844.db2.gz JCNSAOSGLCYOMA-GOSISDBHSA-N 1 0 358.486 2.158 50 0 FEAARO C[NH+]1CCN([C@@H]2CCN(C(=O)NCCc3ccc4ccccc4c3)C2)CC1 ZINC000426387141 263573225 /nfs/dbraw/zinc/57/32/25/263573225.db2.gz TUWPPYNPQQCJFK-OAQYLSRUSA-N 1 0 366.509 2.414 50 0 FEAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000426393090 263574750 /nfs/dbraw/zinc/57/47/50/263574750.db2.gz WGIWHUTZKAQLPG-HZPDHXFCSA-N 1 0 366.339 2.315 50 0 FEAARO C[NH+]1CCN(c2ccc(CNC(=O)N3CCc4c3cccc4F)cn2)CC1 ZINC000184422773 327866970 /nfs/dbraw/zinc/86/69/70/327866970.db2.gz XZCHIUMUCBDCAM-UHFFFAOYSA-N 1 0 369.444 2.245 50 0 FEAARO Cc1ccc(CNC(=O)C2(C[NH3+])CCOCC2)c(OCC(F)(F)F)c1 ZINC000261864172 328825208 /nfs/dbraw/zinc/82/52/08/328825208.db2.gz CLNQFLMKLRSJMR-UHFFFAOYSA-N 1 0 360.376 2.308 50 0 FEAARO Cc1cc(C[C@@H](C)NC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)[nH]n1 ZINC000299775471 533754997 /nfs/dbraw/zinc/75/49/97/533754997.db2.gz FXBABQRNBYPIFB-LLVKDONJSA-N 1 0 350.850 2.460 50 0 FEAARO Cc1cc2oc(=O)cc(C)c2cc1NC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000299761290 534140574 /nfs/dbraw/zinc/14/05/74/534140574.db2.gz UUDLEFZPOJBSEP-HNNXBMFYSA-N 1 0 373.453 2.378 50 0 FEAARO CC(C)C[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000242263433 519397956 /nfs/dbraw/zinc/39/79/56/519397956.db2.gz XZCQBYIDHKADIL-SZMVWBNQSA-N 1 0 366.527 2.397 50 0 FEAARO CCc1ccccc1OCC[N@H+]1C[C@@H](C(C)C)[C@H](NS(C)(=O)=O)C1 ZINC000082134777 521922914 /nfs/dbraw/zinc/92/29/14/521922914.db2.gz GHTMVECBIISCSZ-DLBZAZTESA-N 1 0 354.516 2.133 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000178962224 522057248 /nfs/dbraw/zinc/05/72/48/522057248.db2.gz OISVPMHKBHIRKS-JTQLQIEISA-N 1 0 357.248 2.148 50 0 FEAARO CC[C@H](C[NH+](C)C)NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091691711 522169392 /nfs/dbraw/zinc/16/93/92/522169392.db2.gz XPRPVWGRJYRQEG-GFCCVEGCSA-N 1 0 361.398 2.052 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2 ZINC000091650815 523887428 /nfs/dbraw/zinc/88/74/28/523887428.db2.gz ZOOQQSNNEAJLEV-UYAOXDASSA-N 1 0 368.481 2.114 50 0 FEAARO CN1CC[NH+](CCCNc2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000020574442 523899067 /nfs/dbraw/zinc/89/90/67/523899067.db2.gz DGRGUQCAJFCDQE-UHFFFAOYSA-N 1 0 370.432 2.473 50 0 FEAARO COc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091657184 524307672 /nfs/dbraw/zinc/30/76/72/524307672.db2.gz XBYWYTCFKCDPNT-UHFFFAOYSA-N 1 0 364.461 2.421 50 0 FEAARO Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cc2)n1 ZINC000072474805 524538088 /nfs/dbraw/zinc/53/80/88/524538088.db2.gz JMYUMGSGQKWLFQ-PMACEKPBSA-N 1 0 368.481 2.141 50 0 FEAARO Cc1cccc([C@@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)N(C)C)c1 ZINC000091536427 524813944 /nfs/dbraw/zinc/81/39/44/524813944.db2.gz SOSZHFBWAQWALV-FQEVSTJZSA-N 1 0 372.557 2.274 50 0 FEAARO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)nnn1C1CC[NH2+]CC1 ZINC000150872025 525636490 /nfs/dbraw/zinc/63/64/90/525636490.db2.gz RDQBLTAEEOKJKS-QWHCGFSZSA-N 1 0 359.396 2.362 50 0 FEAARO O=C(c1cccc(Cn2cccn2)c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000091468492 526762996 /nfs/dbraw/zinc/76/29/96/526762996.db2.gz UXBSGSGUSPIFLX-HXUWFJFHSA-N 1 0 368.481 2.258 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 ZINC000178588164 527238048 /nfs/dbraw/zinc/23/80/48/527238048.db2.gz KQVSWWYBKXGDDL-SNVBAGLBSA-N 1 0 356.323 2.451 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)c3ccc(F)cc3)cc2C1 ZINC000299777144 528487635 /nfs/dbraw/zinc/48/76/35/528487635.db2.gz JLNBKNJYKHFYSZ-UHFFFAOYSA-N 1 0 366.462 2.116 50 0 FEAARO CC(C)[NH+]1CCC(NC(=O)c2cccc(-c3nc(N(C)C)n(C)n3)c2)CC1 ZINC000299793486 528999888 /nfs/dbraw/zinc/99/98/88/528999888.db2.gz HEGXAXGUVMSMMB-UHFFFAOYSA-N 1 0 370.501 2.151 50 0 FEAARO CCc1cccc(CC)c1NC(=O)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000299757674 529164119 /nfs/dbraw/zinc/16/41/19/529164119.db2.gz INXZYFRPUBXUOQ-UHFFFAOYSA-N 1 0 356.474 2.080 50 0 FEAARO CCc1nc2c(ncnc2N2CCC(c3nccn3CC[NH+](C)C)CC2)o1 ZINC000095529684 536154324 /nfs/dbraw/zinc/15/43/24/536154324.db2.gz GQDZFASCOWQIFA-UHFFFAOYSA-N 1 0 369.473 2.322 50 0 FEAARO CCC1=NO[C@@H](C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)C1 ZINC000095389303 538124468 /nfs/dbraw/zinc/12/44/68/538124468.db2.gz RCYHOBWEWSCFPU-QGZVFWFLSA-N 1 0 361.490 2.096 50 0 FEAARO O=C(NC[C@H]1COC2(CCCCCC2)O1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000170592321 546161734 /nfs/dbraw/zinc/16/17/34/546161734.db2.gz IJFFBLWFVWDCFG-ROUUACIJSA-N 1 0 366.502 2.212 50 0 FEAARO COCc1nnc(-c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)c2)o1 ZINC000170612270 546166047 /nfs/dbraw/zinc/16/60/47/546166047.db2.gz YRGPLKYBBUFFTO-MRXNPFEDSA-N 1 0 358.442 2.295 50 0 FEAARO CC(=O)N[C@H](CC(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1)c1ccc(C)cc1 ZINC000170617184 546166234 /nfs/dbraw/zinc/16/62/34/546166234.db2.gz KQVWYUZCTATSGL-RBUKOAKNSA-N 1 0 362.470 2.215 50 0 FEAARO O=C(NC[C@@H]1CCC[NH2+]1)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000178722249 546839080 /nfs/dbraw/zinc/83/90/80/546839080.db2.gz GHGRWASITNGSEI-INIZCTEOSA-N 1 0 358.463 2.142 50 0 FEAARO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)nc3C)CC2)CC1 ZINC000187011060 548240437 /nfs/dbraw/zinc/24/04/37/548240437.db2.gz LATNTZOTVAHJDU-UHFFFAOYSA-N 1 0 358.530 2.465 50 0 FEAARO O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000214982121 548668263 /nfs/dbraw/zinc/66/82/63/548668263.db2.gz PMAIXGBJHGKQDB-QHAWAJNXSA-N 1 0 371.525 2.457 50 0 FEAARO C[NH+](C)[C@H]1CN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1O ZINC000219901107 548697870 /nfs/dbraw/zinc/69/78/70/548697870.db2.gz USYFSWCCVLMYRR-RYUDHWBXSA-N 1 0 370.293 2.471 50 0 FEAARO C[NH+]1CCC(C(=O)NCCc2noc(C3CC3)n2)(c2ccccc2)CC1 ZINC000223205567 548716722 /nfs/dbraw/zinc/71/67/22/548716722.db2.gz AGTCNQFAJGHZRH-UHFFFAOYSA-N 1 0 354.454 2.269 50 0 FEAARO COCCn1c(CNCc2nc3ccccc3s2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223746748 548723626 /nfs/dbraw/zinc/72/36/26/548723626.db2.gz RZFCQFRTWRPAOH-BETUJISGSA-N 1 0 372.498 2.029 50 0 FEAARO COC(=O)c1ccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225562874 548737419 /nfs/dbraw/zinc/73/74/19/548737419.db2.gz OCEUQXYQYZCMKS-UHFFFAOYSA-N 1 0 360.454 2.094 50 0 FEAARO CCOc1cc(C[NH2+]CC2(O)CCOCC2)cc(Br)c1OC ZINC000236921623 548789507 /nfs/dbraw/zinc/78/95/07/548789507.db2.gz XSQRZHRLQVRSDL-UHFFFAOYSA-N 1 0 374.275 2.488 50 0 FEAARO COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000237159407 548805385 /nfs/dbraw/zinc/80/53/85/548805385.db2.gz XWYSBTFFSBBNIC-HIFRSBDPSA-N 1 0 369.259 2.110 50 0 FEAARO O=S(=O)(NC[C@@H]1CCCC[NH2+]1)c1c(F)cccc1Br ZINC000237743394 548849967 /nfs/dbraw/zinc/84/99/67/548849967.db2.gz WHPRRFCXAWJQNL-VIFPVBQESA-N 1 0 351.241 2.009 50 0 FEAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000238057492 548875717 /nfs/dbraw/zinc/87/57/17/548875717.db2.gz ZTECVHBJWRDEGI-MRVPVSSYSA-N 1 0 371.659 2.353 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000244659725 548891687 /nfs/dbraw/zinc/89/16/87/548891687.db2.gz HHUVQUFSTFRROG-QGZVFWFLSA-N 1 0 351.410 2.417 50 0 FEAARO COc1ccc([C@@H](NC(=O)C2([NH+]3CCCC3)CCCC2)[C@H]2C[C@H](O)C2)cn1 ZINC000244734561 548893592 /nfs/dbraw/zinc/89/35/92/548893592.db2.gz NHZOBQGPWPXLMT-ZHALLVOQSA-N 1 0 373.497 2.427 50 0 FEAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000244787972 548895016 /nfs/dbraw/zinc/89/50/16/548895016.db2.gz QHEPDSGORFJHNW-MRXNPFEDSA-N 1 0 359.470 2.358 50 0 FEAARO Cc1cc(N)n(CC(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)n1 ZINC000244831525 548895807 /nfs/dbraw/zinc/89/58/07/548895807.db2.gz UFKYWXHDRHQIFS-KRWDZBQOSA-N 1 0 359.449 2.256 50 0 FEAARO Cc1cc(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)ccc1Cl ZINC000244811637 548896402 /nfs/dbraw/zinc/89/64/02/548896402.db2.gz SIFPTTIIPKJFDQ-UHFFFAOYSA-N 1 0 351.878 2.384 50 0 FEAARO CN(Cc1cc(-c2ccccc2)no1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244858467 548897409 /nfs/dbraw/zinc/89/74/09/548897409.db2.gz VLRZTGINGPEWCR-GASCZTMLSA-N 1 0 352.442 2.307 50 0 FEAARO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(OCC(C)C)c1 ZINC000252480147 549666611 /nfs/dbraw/zinc/66/66/11/549666611.db2.gz BWUMKQJZSSQVNU-INIZCTEOSA-N 1 0 364.486 2.307 50 0 FEAARO CCOC(=O)[C@H]1[C@@H]([NH2+]CC2(C)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000252497199 549669855 /nfs/dbraw/zinc/66/98/55/549669855.db2.gz QBGIDSRYYXBMJR-LSDHHAIUSA-N 1 0 370.490 2.334 50 0 FEAARO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c(OC(C)C)c1 ZINC000252507596 549670913 /nfs/dbraw/zinc/67/09/13/549670913.db2.gz WOZORRGHUBQYCA-INIZCTEOSA-N 1 0 364.486 2.305 50 0 FEAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000253394248 549685893 /nfs/dbraw/zinc/68/58/93/549685893.db2.gz APKYRFYTMVMISX-GDLCADMTSA-N 1 0 368.275 2.280 50 0 FEAARO CO[C@@H]1C[N@H+](C2CCN(C(=O)Cc3ccccc3)CC2)C12CCOCC2 ZINC000257186154 549713210 /nfs/dbraw/zinc/71/32/10/549713210.db2.gz YMPXHRAKNPGOJA-LJQANCHMSA-N 1 0 358.482 2.100 50 0 FEAARO Cc1nc(-c2cccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2)cs1 ZINC000289973272 552407885 /nfs/dbraw/zinc/40/78/85/552407885.db2.gz QFKIGSMVVGMFDV-QGZVFWFLSA-N 1 0 356.495 2.238 50 0 FEAARO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2n[nH]nc2C1 ZINC000291850322 552667938 /nfs/dbraw/zinc/66/79/38/552667938.db2.gz DNJXPIRTFDWXFC-ROUUACIJSA-N 1 0 367.497 2.328 50 0 FEAARO Cc1cccc(CC2(O)CC[NH+](C[C@H](O)COCC(F)(F)F)CC2)c1 ZINC000292871802 552767116 /nfs/dbraw/zinc/76/71/16/552767116.db2.gz HPVBFSKFHMJHBC-INIZCTEOSA-N 1 0 361.404 2.304 50 0 FEAARO Cc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nnn1C ZINC000329945526 554036528 /nfs/dbraw/zinc/03/65/28/554036528.db2.gz XGPHYALWINBQSI-HXUWFJFHSA-N 1 0 353.470 2.252 50 0 FEAARO Cc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nnn1C ZINC000329945525 554036542 /nfs/dbraw/zinc/03/65/42/554036542.db2.gz XGPHYALWINBQSI-FQEVSTJZSA-N 1 0 353.470 2.252 50 0 FEAARO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000332110332 554382687 /nfs/dbraw/zinc/38/26/87/554382687.db2.gz IGSYCAYYPJGXGX-JSGCOSHPSA-N 1 0 367.852 2.152 50 0 FEAARO CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1 ZINC000367987453 556188576 /nfs/dbraw/zinc/18/85/76/556188576.db2.gz ODBXEWJSHWUUCK-YLJYHZDGSA-N 1 0 359.514 2.367 50 0 FEAARO Cc1n[nH]cc1C1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000375979376 558108786 /nfs/dbraw/zinc/10/87/86/558108786.db2.gz ILCSHRHZLBXHAX-UHFFFAOYSA-N 1 0 360.502 2.459 50 0 FEAARO NC(=O)c1cc(OC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)ccn1 ZINC000377690731 558398301 /nfs/dbraw/zinc/39/83/01/558398301.db2.gz DUDFKUUYQWGCRZ-UHFFFAOYSA-N 1 0 367.409 2.207 50 0 FEAARO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000413806625 559131549 /nfs/dbraw/zinc/13/15/49/559131549.db2.gz CGAUHJOAUVFTDI-UHFFFAOYSA-N 1 0 371.489 2.274 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccc(-n4cccn4)cc3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426492771 559735770 /nfs/dbraw/zinc/73/57/70/559735770.db2.gz IARVXKKVZFROLM-PCCBWWKXSA-N 1 0 371.481 2.393 50 0 FEAARO Nc1cccc(-c2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000426503098 559736000 /nfs/dbraw/zinc/73/60/00/559736000.db2.gz GMRBLPMLTKGIOF-SFHVURJKSA-N 1 0 368.481 2.298 50 0 FEAARO COCc1nc([C@@H]2CCOC2)cc(N2C[C@]3(C)C[N@H+](C)C[C@](C)(C2)C3)n1 ZINC000426503179 559736173 /nfs/dbraw/zinc/73/61/73/559736173.db2.gz YLALITADOKQKEO-YSGRDPCXSA-N 1 0 360.502 2.295 50 0 FEAARO COc1ccc(Cl)cc1CN(C)C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000426531756 559737067 /nfs/dbraw/zinc/73/70/67/559737067.db2.gz OTVYOFBPUJKRJO-MRXNPFEDSA-N 1 0 353.894 2.333 50 0 FEAARO CC(C)c1nccn1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426604261 559738733 /nfs/dbraw/zinc/73/87/33/559738733.db2.gz IMNDASXLPPHXSZ-UHFFFAOYSA-N 1 0 356.474 2.323 50 0 FEAARO Nc1cccc(-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000426667173 559739921 /nfs/dbraw/zinc/73/99/21/559739921.db2.gz YGPAHBRCVQPOGC-GOSISDBHSA-N 1 0 368.481 2.298 50 0 FEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCc1nc2ccccc2s1 ZINC000426668367 559740010 /nfs/dbraw/zinc/74/00/10/559740010.db2.gz NVOIXJFRGRPNHD-CQSZACIVSA-N 1 0 369.494 2.319 50 0 FEAARO CSc1nc(N)cc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000426719812 559740867 /nfs/dbraw/zinc/74/08/67/559740867.db2.gz GBJOMIIORKCBNX-OAHLLOKOSA-N 1 0 369.494 2.368 50 0 FEAARO COCC1(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000534671560 562539998 /nfs/dbraw/zinc/53/99/98/562539998.db2.gz KTKLCSWXVCPCNO-LJQANCHMSA-N 1 0 357.498 2.298 50 0 FEAARO COCC[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000150858491 571160611 /nfs/dbraw/zinc/16/06/11/571160611.db2.gz MVYGKRTVCPGUDB-OAHLLOKOSA-N 1 0 354.516 2.231 50 0 FEAARO COc1ccc(-c2ccc(C(=O)N(CCO)CC[NH+](C)C)cc2)c(F)c1 ZINC000426361153 571215324 /nfs/dbraw/zinc/21/53/24/571215324.db2.gz JXLWXHPCHNQGQQ-UHFFFAOYSA-N 1 0 360.429 2.497 50 0 FEAARO CN(CCN1CCCCC1=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000426412857 571222054 /nfs/dbraw/zinc/22/20/54/571222054.db2.gz YTZOEMVWGXZXPB-UHFFFAOYSA-N 1 0 372.513 2.305 50 0 FEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2n[nH]c3c2CCCC3)CC1 ZINC000169751664 571251048 /nfs/dbraw/zinc/25/10/48/571251048.db2.gz NVLKJKUHMPBZPO-UHFFFAOYSA-N 1 0 357.458 2.288 50 0 FEAARO CSCC[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584889893 571314351 /nfs/dbraw/zinc/31/43/51/571314351.db2.gz IYIUDGZVUSJFBZ-KRWDZBQOSA-N 1 0 355.548 2.111 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000584900652 571316135 /nfs/dbraw/zinc/31/61/35/571316135.db2.gz YTZJSWZDXJFMPS-HNNXBMFYSA-N 1 0 371.403 2.403 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCSC)CC1 ZINC000012315802 670001713 /nfs/dbraw/zinc/00/17/13/670001713.db2.gz VCCNOEKVEUJBGU-KRWDZBQOSA-N 1 0 369.575 2.359 50 0 FEAARO CC(C)(C)c1nc2ccc(S(=O)(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2s1 ZINC000195304925 672781966 /nfs/dbraw/zinc/78/19/66/672781966.db2.gz HZOULXPLPMJQBQ-TXEJJXNPSA-N 1 0 365.524 2.434 50 0 FEAARO C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)cn1 ZINC000624111734 676565212 /nfs/dbraw/zinc/56/52/12/676565212.db2.gz CTRBBQKMDUPQJW-VXGBXAGGSA-N 1 0 370.295 2.331 50 0 FEAARO OC[C@@H]1CCC[N@H+](CCNc2nc3c(c(C(F)(F)F)n2)CCCC3)C1 ZINC000952970586 681793215 /nfs/dbraw/zinc/79/32/15/681793215.db2.gz MOOPXCXRRQTMFA-GFCCVEGCSA-N 1 0 358.408 2.490 50 0 FEAARO CN(CCCOc1ccc(Cl)cc1)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000952967870 681793250 /nfs/dbraw/zinc/79/32/50/681793250.db2.gz CHOOQYIWUHNNJI-INIZCTEOSA-N 1 0 353.894 2.203 50 0 FEAARO CN(CCCOc1ccc(Cl)cc1)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000952967883 681793294 /nfs/dbraw/zinc/79/32/94/681793294.db2.gz CHOOQYIWUHNNJI-MRXNPFEDSA-N 1 0 353.894 2.203 50 0 FEAARO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1ccccc1C(F)(F)F ZINC000952976508 681794468 /nfs/dbraw/zinc/79/44/68/681794468.db2.gz RWFOJVZJIYZCDJ-VXGBXAGGSA-N 1 0 357.376 2.080 50 0 FEAARO Cc1nc2sc3c(c2c2nc(C(=O)NCC[NH+](C)C)nn21)[C@@H](C)CCC3 ZINC000002208466 539345532 /nfs/dbraw/zinc/34/55/32/539345532.db2.gz DVJMJYPDURGUCX-JTQLQIEISA-N 1 0 372.498 2.379 50 0 FEAARO C[C@H]1CCCc2sc3ncn4nc(C(=O)NCCC[NH+](C)C)nc4c3c21 ZINC000002239849 539346704 /nfs/dbraw/zinc/34/67/04/539346704.db2.gz NLKAPLMAMMWZMX-NSHDSACASA-N 1 0 372.498 2.460 50 0 FEAARO CN(CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000299781117 529832656 /nfs/dbraw/zinc/83/26/56/529832656.db2.gz HKBWMXHSDWFAOY-UHFFFAOYSA-N 1 0 370.472 2.433 50 0 FEAARO COc1cc(OC)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000004385817 539383535 /nfs/dbraw/zinc/38/35/35/539383535.db2.gz BEDYPXZLBGYYGV-MRXNPFEDSA-N 1 0 353.382 2.349 50 0 FEAARO COCCCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000004725456 539391526 /nfs/dbraw/zinc/39/15/26/539391526.db2.gz VFJCMPBMYOKUCM-UHFFFAOYSA-N 1 0 350.459 2.069 50 0 FEAARO C[C@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000004894094 539395111 /nfs/dbraw/zinc/39/51/11/539395111.db2.gz KSIYQTPXTUXXOS-DJCSNXPJSA-N 1 0 361.515 2.454 50 0 FEAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006650075 539432735 /nfs/dbraw/zinc/43/27/35/539432735.db2.gz VPKGTSSESUWVPB-GFCCVEGCSA-N 1 0 356.378 2.303 50 0 FEAARO CC[NH+](CC)CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc21 ZINC000006751246 539436207 /nfs/dbraw/zinc/43/62/07/539436207.db2.gz KZCJRJRUHZFUGL-UHFFFAOYSA-N 1 0 361.486 2.349 50 0 FEAARO COc1cccc(C[N@H+](C)C[C@H](O)COCc2ccc3c(c2)OCO3)c1 ZINC000006938866 539442083 /nfs/dbraw/zinc/44/20/83/539442083.db2.gz FVKXKGCJFADNMJ-KRWDZBQOSA-N 1 0 359.422 2.433 50 0 FEAARO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000007015504 539444730 /nfs/dbraw/zinc/44/47/30/539444730.db2.gz LATBZKAKWBWNKB-GOSISDBHSA-N 1 0 373.449 2.476 50 0 FEAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCSc3nnnn3C)o2)cc1 ZINC000007541006 539459878 /nfs/dbraw/zinc/45/98/78/539459878.db2.gz LKOOUOPFVQXGNT-GFCCVEGCSA-N 1 0 359.455 2.405 50 0 FEAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC000009902819 539510095 /nfs/dbraw/zinc/51/00/95/539510095.db2.gz KOCDPNCMNJFGST-SFHVURJKSA-N 1 0 360.454 2.244 50 0 FEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000011853354 539537000 /nfs/dbraw/zinc/53/70/00/539537000.db2.gz QXQBPBNLIBKBMV-UHFFFAOYSA-N 1 0 367.449 2.357 50 0 FEAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000012035852 539541373 /nfs/dbraw/zinc/54/13/73/539541373.db2.gz GQNFBCIOISLZIL-CDVVCGDMSA-N 1 0 365.481 2.437 50 0 FEAARO CCSc1ncc(CNCc2cccnc2N2CCC[N@H+](C)CC2)cn1 ZINC000012055329 539541682 /nfs/dbraw/zinc/54/16/82/539541682.db2.gz XTAVVDYWUYXBPS-UHFFFAOYSA-N 1 0 372.542 2.415 50 0 FEAARO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]C1CC1 ZINC000012452731 539561279 /nfs/dbraw/zinc/56/12/79/539561279.db2.gz FIQVTZPVQSVNFT-UHFFFAOYSA-N 1 0 366.421 2.153 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccccc3)cn2)CC1 ZINC000012612693 539567669 /nfs/dbraw/zinc/56/76/69/539567669.db2.gz NXNMHEBFHYFQBT-UHFFFAOYSA-N 1 0 352.438 2.435 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 ZINC000012893665 539578884 /nfs/dbraw/zinc/57/88/84/539578884.db2.gz RLRRQDRTXKCDQO-KRWDZBQOSA-N 1 0 372.856 2.429 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000016022130 539625894 /nfs/dbraw/zinc/62/58/94/539625894.db2.gz ZOXZTVVYASKWLB-KKTFQGFQSA-N 1 0 369.465 2.170 50 0 FEAARO O=C(CN1Cc2ccccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020427222 539674292 /nfs/dbraw/zinc/67/42/92/539674292.db2.gz CPAHRJHSPYTAFD-UHFFFAOYSA-N 1 0 363.461 2.423 50 0 FEAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000020454982 539674892 /nfs/dbraw/zinc/67/48/92/539674892.db2.gz FVHCOWVEGCAXFP-JOCHJYFZSA-N 1 0 370.541 2.284 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(Nc3cccc(OC)c3)n2)CC1 ZINC000021928376 539689762 /nfs/dbraw/zinc/68/97/62/539689762.db2.gz DEIBVLFJFKHVKS-UHFFFAOYSA-N 1 0 367.457 2.257 50 0 FEAARO CCc1[nH]c2c(cc(F)cc2CNC(=O)C[C@@H]2CN(C)CC[N@@H+]2C)c1C ZINC000023374076 539713073 /nfs/dbraw/zinc/71/30/73/539713073.db2.gz ASHKGAKXSBJBMQ-MRXNPFEDSA-N 1 0 360.477 2.430 50 0 FEAARO CCC[NH+]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000023409089 539714298 /nfs/dbraw/zinc/71/42/98/539714298.db2.gz OKODPXKBBSCWRO-UHFFFAOYSA-N 1 0 351.878 2.404 50 0 FEAARO COc1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)ccc1OCC(N)=O ZINC000024993265 539745659 /nfs/dbraw/zinc/74/56/59/539745659.db2.gz VEBIJYKMOGRZER-INIZCTEOSA-N 1 0 373.453 2.079 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)N1CCc2ccccc21 ZINC000026135014 539777994 /nfs/dbraw/zinc/77/79/94/539777994.db2.gz KKUHKZLHVLMMBK-IBGZPJMESA-N 1 0 367.449 2.340 50 0 FEAARO COc1ccc(N2C(=O)C[C@H](N3CCC([NH+]4CCCCC4)CC3)C2=O)cc1 ZINC000000920629 219341225 /nfs/dbraw/zinc/34/12/25/219341225.db2.gz RPINARXRRDJANH-IBGZPJMESA-N 1 0 371.481 2.277 50 0 FEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccc(OC)c3)C2=O)cc1 ZINC000000920617 219341353 /nfs/dbraw/zinc/34/13/53/219341353.db2.gz QFWRFBNGXFLFID-SFHVURJKSA-N 1 0 354.406 2.168 50 0 FEAARO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000030153851 539874887 /nfs/dbraw/zinc/87/48/87/539874887.db2.gz USMMBGZBEJYPGV-UHFFFAOYSA-N 1 0 372.513 2.271 50 0 FEAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C1Cc2ccccc2C1 ZINC000032558396 539943574 /nfs/dbraw/zinc/94/35/74/539943574.db2.gz PLYQKFWSHBBJMS-CTNGQTDRSA-N 1 0 367.468 2.272 50 0 FEAARO COc1ccc(-c2cc(C[NH+]3CCC(C(=O)NCCCO)CC3)on2)cc1 ZINC000032928692 539960294 /nfs/dbraw/zinc/96/02/94/539960294.db2.gz HWYQPYCNCWQINA-UHFFFAOYSA-N 1 0 373.453 2.061 50 0 FEAARO COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)OC(C)(C)C ZINC000032919524 539959489 /nfs/dbraw/zinc/95/94/89/539959489.db2.gz BPYVRAWLYXUOPH-GJZGRUSLSA-N 1 0 352.406 2.466 50 0 FEAARO Cc1nn(C)c(C)c1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000225527256 222848336 /nfs/dbraw/zinc/84/83/36/222848336.db2.gz XQRAQAIQIKJLMB-UHFFFAOYSA-N 1 0 353.426 2.488 50 0 FEAARO O=C(NCC[NH+]1CCCCCC1)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061194 539965996 /nfs/dbraw/zinc/96/59/96/539965996.db2.gz WAFMNJXFACVIMK-UHFFFAOYSA-N 1 0 373.482 2.396 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000033585443 539974524 /nfs/dbraw/zinc/97/45/24/539974524.db2.gz OJJVXOQKRGGSGH-OPOADAIRSA-N 1 0 369.465 2.172 50 0 FEAARO COc1ccccc1CN(Cc1nc(C(=O)NCC[NH+](C)C)co1)C(C)C ZINC000036053793 539986289 /nfs/dbraw/zinc/98/62/89/539986289.db2.gz KKZFFLIUSYFWEK-UHFFFAOYSA-N 1 0 374.485 2.385 50 0 FEAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COC(C)C ZINC000036097169 539987231 /nfs/dbraw/zinc/98/72/31/539987231.db2.gz XTHDQQPHZDRANR-KRWDZBQOSA-N 1 0 355.475 2.328 50 0 FEAARO Cc1cc(N(C)C)nc(NCCNC(=O)COc2ccc(Cl)cc2)[nH+]1 ZINC000036708116 539992717 /nfs/dbraw/zinc/99/27/17/539992717.db2.gz ZZWRSQHHGSWLTA-UHFFFAOYSA-N 1 0 363.849 2.112 50 0 FEAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000036828571 539995021 /nfs/dbraw/zinc/99/50/21/539995021.db2.gz LFOHYGPMJDWILH-UHFFFAOYSA-N 1 0 365.268 2.102 50 0 FEAARO CC(C)c1ccc(-c2nc(N3CC[NH+](C)CC3)nc3nn(C)c(N)c32)cc1 ZINC000037360866 539995860 /nfs/dbraw/zinc/99/58/60/539995860.db2.gz ZQYNNDJUHBCNJZ-UHFFFAOYSA-N 1 0 365.485 2.488 50 0 FEAARO CSc1ncc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)cn1 ZINC000039543280 540002078 /nfs/dbraw/zinc/00/20/78/540002078.db2.gz SJQKJTIPZSNDFR-LJQANCHMSA-N 1 0 372.538 2.310 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)c2ccccc2Br)CC1 ZINC000041362625 540017672 /nfs/dbraw/zinc/01/76/72/540017672.db2.gz MZJODKFQOFSPAQ-UHFFFAOYSA-N 1 0 354.292 2.207 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@]21c2cc(C)ccc2NC1=O ZINC000043730468 540108200 /nfs/dbraw/zinc/10/82/00/540108200.db2.gz VCHIEKONPXTXBN-LCONNIHZSA-N 1 0 367.449 2.020 50 0 FEAARO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1Br ZINC000044492800 540128146 /nfs/dbraw/zinc/12/81/46/540128146.db2.gz AEGQIYXVFOMJGU-SNVBAGLBSA-N 1 0 351.241 2.009 50 0 FEAARO O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000044502377 540128630 /nfs/dbraw/zinc/12/86/30/540128630.db2.gz KGEVUFHVSCWLTQ-SECBINFHSA-N 1 0 367.696 2.380 50 0 FEAARO Cc1nccn1CC1CCN(C(=O)CSCC[NH+]2CCCC2)CC1 ZINC000244873422 222940975 /nfs/dbraw/zinc/94/09/75/222940975.db2.gz WQAUXEURHONMOW-UHFFFAOYSA-N 1 0 350.532 2.259 50 0 FEAARO O=C(N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1)C1=Cc2ccccc2OC=C1 ZINC000252550818 222981094 /nfs/dbraw/zinc/98/10/94/222981094.db2.gz SYHGEWRINLBWBH-BJLQDIEVSA-N 1 0 354.450 2.231 50 0 FEAARO COc1ccc(CN2C[C@@H](C(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004710679 219599723 /nfs/dbraw/zinc/59/97/23/219599723.db2.gz ADGJJJSJTRUPAL-SFHVURJKSA-N 1 0 373.497 2.036 50 0 FEAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCCN1CCCOC1=O ZINC000299760781 223084118 /nfs/dbraw/zinc/08/41/18/223084118.db2.gz RHKLWQZAVZIVJT-UHFFFAOYSA-N 1 0 359.470 2.247 50 0 FEAARO Cc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1OCCC[NH3+] ZINC000299768632 223088191 /nfs/dbraw/zinc/08/81/91/223088191.db2.gz KDXBNKBRYPIJTI-UHFFFAOYSA-N 1 0 369.465 2.354 50 0 FEAARO Cc1ccc([C@@H](NC(=O)CC[NH+]2CCN(C)CC2)c2ccncc2)cc1 ZINC000299772143 223089749 /nfs/dbraw/zinc/08/97/49/223089749.db2.gz YVXPMFPZLIFHGL-OAQYLSRUSA-N 1 0 352.482 2.233 50 0 FEAARO O=C(NCC1CCS(=O)(=O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000299777876 223091837 /nfs/dbraw/zinc/09/18/37/223091837.db2.gz PBBIMDCXJOYVPK-UHFFFAOYSA-N 1 0 364.511 2.227 50 0 FEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2cncnc2)c1 ZINC000299779753 223092929 /nfs/dbraw/zinc/09/29/29/223092929.db2.gz QIZJMKZHLFDPNM-IBGZPJMESA-N 1 0 354.454 2.326 50 0 FEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000299780694 223093903 /nfs/dbraw/zinc/09/39/03/223093903.db2.gz CGYINXRKJJSUDZ-LBPRGKRZSA-N 1 0 371.384 2.488 50 0 FEAARO CCS(=O)(=O)CCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299783763 223095454 /nfs/dbraw/zinc/09/54/54/223095454.db2.gz YGWORLAOTDXOKS-UHFFFAOYSA-N 1 0 352.500 2.227 50 0 FEAARO Cc1nnc(-c2ccc(C)c(NC(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2)o1 ZINC000299786835 223096862 /nfs/dbraw/zinc/09/68/62/223096862.db2.gz QZJWWNICQJVPMR-INIZCTEOSA-N 1 0 373.457 2.322 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CC(=O)OC12CCCC2 ZINC000299800388 223103971 /nfs/dbraw/zinc/10/39/71/223103971.db2.gz WDYRQFWKKHPBOT-QGZVFWFLSA-N 1 0 357.454 2.038 50 0 FEAARO Cc1cc(=O)c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cn1C ZINC000299796551 223101943 /nfs/dbraw/zinc/10/19/43/223101943.db2.gz PGGDNURQHHEPGO-UHFFFAOYSA-N 1 0 353.466 2.336 50 0 FEAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CCN2CCCC2=O)CC1 ZINC000012440579 219995464 /nfs/dbraw/zinc/99/54/64/219995464.db2.gz FJSBZLRFYPCQGV-UHFFFAOYSA-N 1 0 371.525 2.412 50 0 FEAARO Cc1ccccc1NC(=O)N1C[C@@H](O)[C@H]([NH2+]CCc2ncccc2C)C1 ZINC000072130942 541785450 /nfs/dbraw/zinc/78/54/50/541785450.db2.gz DYTVRSWKPINOER-RTBURBONSA-N 1 0 354.454 2.108 50 0 FEAARO COc1ccccc1[C@@H]1CN(Cc2nccn2C)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072132177 541785503 /nfs/dbraw/zinc/78/55/03/541785503.db2.gz NPIZOYKVICCGND-IOMROCGXSA-N 1 0 352.482 2.491 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)N3CCOCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072135407 541786464 /nfs/dbraw/zinc/78/64/64/541786464.db2.gz XTAYRZFVHGDYJF-XUVXKRRUSA-N 1 0 371.481 2.009 50 0 FEAARO O=C(C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O)NCc1ccccc1F ZINC000072144402 541786895 /nfs/dbraw/zinc/78/68/95/541786895.db2.gz GTLNRTWEBZOMGW-KRWDZBQOSA-N 1 0 361.461 2.309 50 0 FEAARO CCNc1ncc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072165395 541794265 /nfs/dbraw/zinc/79/42/65/541794265.db2.gz WFYSZVUOSUIASL-LJQANCHMSA-N 1 0 365.481 2.224 50 0 FEAARO CC[NH+](CC)[C@H]1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1 ZINC000072304978 541798217 /nfs/dbraw/zinc/79/82/17/541798217.db2.gz JYSRBIVQRLSWPA-GJZGRUSLSA-N 1 0 353.457 2.428 50 0 FEAARO COc1cccc(CN2CCN(Cc3cccc(CC[NH3+])c3)CC2=O)c1 ZINC000072410292 541807030 /nfs/dbraw/zinc/80/70/30/541807030.db2.gz ZCVUCZAYPQDVSU-UHFFFAOYSA-N 1 0 353.466 2.041 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cnn(Cc3ccccc3)c1)CC[NH2+]C2 ZINC000072427925 541811196 /nfs/dbraw/zinc/81/11/96/541811196.db2.gz SBOXJZUAXMQVGV-UHFFFAOYSA-N 1 0 361.449 2.211 50 0 FEAARO COc1ccc2[nH]c(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)cc2c1 ZINC000072423245 541810296 /nfs/dbraw/zinc/81/02/96/541810296.db2.gz DJOVPCXTJCNOJD-UHFFFAOYSA-N 1 0 350.422 2.456 50 0 FEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)COC[C@H]2CCCO2)CC1 ZINC000072438255 541814296 /nfs/dbraw/zinc/81/42/96/541814296.db2.gz OCUIUTKNRQTRHQ-HXUWFJFHSA-N 1 0 360.498 2.348 50 0 FEAARO c1cnn(Cc2ccccc2Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)c1 ZINC000072448393 541816127 /nfs/dbraw/zinc/81/61/27/541816127.db2.gz AZBOINUQBFNHCO-UHFFFAOYSA-N 1 0 359.437 2.143 50 0 FEAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1Cc2ccccc2C1)c1cnn2c1CCCC2 ZINC000072458217 541816507 /nfs/dbraw/zinc/81/65/07/541816507.db2.gz OKUKQPKSWWTBLJ-MOPGFXCFSA-N 1 0 350.466 2.237 50 0 FEAARO COc1ccc2ccccc2c1CN1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012589123 220011045 /nfs/dbraw/zinc/01/10/45/220011045.db2.gz AXDMRMABQLUQCC-NHCUHLMSSA-N 1 0 370.493 2.240 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCOC3=O)C2)cc1 ZINC000012713372 220021277 /nfs/dbraw/zinc/02/12/77/220021277.db2.gz FAJHJFWUGCLHRZ-LJQANCHMSA-N 1 0 373.497 2.418 50 0 FEAARO C[NH+](C)CC(C)(C)CNC(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000012755337 220024670 /nfs/dbraw/zinc/02/46/70/220024670.db2.gz ROEUOWPTFSDNTQ-UHFFFAOYSA-N 1 0 367.856 2.437 50 0 FEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccn2)CC1 ZINC000013325037 220063362 /nfs/dbraw/zinc/06/33/62/220063362.db2.gz FAADHLIQOMFZPE-UHFFFAOYSA-N 1 0 354.410 2.203 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000013575644 220076276 /nfs/dbraw/zinc/07/62/76/220076276.db2.gz GFOJAQICYFSWDZ-DFVSYVKXSA-N 1 0 369.465 2.252 50 0 FEAARO COc1ccc([C@H](CNC(=O)CN2CCSC2=O)[NH+]2CCCC2)cc1 ZINC000014701050 220129208 /nfs/dbraw/zinc/12/92/08/220129208.db2.gz YADMHSQZLWJCKA-INIZCTEOSA-N 1 0 363.483 2.117 50 0 FEAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([NH2+]CC1CC1)C2 ZINC000014740451 220130592 /nfs/dbraw/zinc/13/05/92/220130592.db2.gz PYPVSKBYFHHJHJ-GOSISDBHSA-N 1 0 364.493 2.476 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccnn2C)C1 ZINC000014958907 220136864 /nfs/dbraw/zinc/13/68/64/220136864.db2.gz QCASDJUOHUCWKK-QGZVFWFLSA-N 1 0 370.497 2.455 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000015068855 220143535 /nfs/dbraw/zinc/14/35/35/220143535.db2.gz DGJSHTJGAAKHQA-OAHLLOKOSA-N 1 0 373.472 2.421 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000015942355 220172070 /nfs/dbraw/zinc/17/20/70/220172070.db2.gz XIXZWXSUBKYBAY-QUCCMNQESA-N 1 0 371.525 2.316 50 0 FEAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000016650409 220189754 /nfs/dbraw/zinc/18/97/54/220189754.db2.gz WXPCUAYFVVEJMF-UHFFFAOYSA-N 1 0 351.516 2.448 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N(C)C3CCOCC3)nc2)C1 ZINC000019221641 220241191 /nfs/dbraw/zinc/24/11/91/220241191.db2.gz VYZNIQGHMLZSIY-QGZVFWFLSA-N 1 0 374.529 2.405 50 0 FEAARO Nc1ccccc1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019370532 220253285 /nfs/dbraw/zinc/25/32/85/220253285.db2.gz MWVUJYIFBARAAP-UHFFFAOYSA-N 1 0 352.482 2.207 50 0 FEAARO O=C1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccccc1F ZINC000019359569 220253949 /nfs/dbraw/zinc/25/39/49/220253949.db2.gz LPXABNWELRMRIJ-GOSISDBHSA-N 1 0 359.445 2.408 50 0 FEAARO c1nc2nc(-c3ccccc3)cc(N3CC[NH+]([C@H]4CCSC4)CC3)n2n1 ZINC000075110528 542153389 /nfs/dbraw/zinc/15/33/89/542153389.db2.gz MYNVDGABUQYTIN-INIZCTEOSA-N 1 0 366.494 2.419 50 0 FEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000019530811 220269734 /nfs/dbraw/zinc/26/97/34/220269734.db2.gz PAJXYSYWHDMKNR-GOSISDBHSA-N 1 0 366.417 2.328 50 0 FEAARO CC(C)CCN1CC2(CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)OC1=O ZINC000077342652 542369333 /nfs/dbraw/zinc/36/93/33/542369333.db2.gz VOVOGJHCOVNCDA-MRXNPFEDSA-N 1 0 351.491 2.188 50 0 FEAARO C[C@H]1CCc2c(sc3nc(SCC[NH+]4CCCC4)n(N)c(=O)c23)C1 ZINC000019797046 220298978 /nfs/dbraw/zinc/29/89/78/220298978.db2.gz JWIHJQJNIKCKKN-NSHDSACASA-N 1 0 364.540 2.485 50 0 FEAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cccc(OCC(N)=O)c1 ZINC000019874125 220303332 /nfs/dbraw/zinc/30/33/32/220303332.db2.gz UDDBIYIFZWZDJA-LJQANCHMSA-N 1 0 351.406 2.276 50 0 FEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3ccc4nccnc4c3)cc2C1 ZINC000077525284 542392439 /nfs/dbraw/zinc/39/24/39/542392439.db2.gz LYDYLXXHKAHCOR-UHFFFAOYSA-N 1 0 364.453 2.228 50 0 FEAARO O=C(CCc1ccc(F)cc1F)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077485606 542387527 /nfs/dbraw/zinc/38/75/27/542387527.db2.gz WUEVVMZWCCHPCC-LJQANCHMSA-N 1 0 363.452 2.136 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccccc3OC(F)F)C2)CN1CCO ZINC000077505486 542389821 /nfs/dbraw/zinc/38/98/21/542389821.db2.gz ZBHGMBKHFMLUGF-IBGZPJMESA-N 1 0 368.424 2.485 50 0 FEAARO Cc1nc2ncccn2c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000020907951 220344851 /nfs/dbraw/zinc/34/48/51/220344851.db2.gz KYHFYESNIQNDJZ-FQEVSTJZSA-N 1 0 353.470 2.376 50 0 FEAARO CCCn1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1=O ZINC000022463138 220387134 /nfs/dbraw/zinc/38/71/34/220387134.db2.gz OUIQZIZQXTWSEC-SFHVURJKSA-N 1 0 354.454 2.220 50 0 FEAARO Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022579277 220390732 /nfs/dbraw/zinc/39/07/32/220390732.db2.gz WAAOWWKXNDVTIY-FQEVSTJZSA-N 1 0 373.522 2.262 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000022682193 220394267 /nfs/dbraw/zinc/39/42/67/220394267.db2.gz SJYQRMIGEHMXFD-MJGOQNOKSA-N 1 0 352.434 2.057 50 0 FEAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(OC)cc2)CC1 ZINC000048280033 221004980 /nfs/dbraw/zinc/00/49/80/221004980.db2.gz USZCPEDFWRDADD-GOSISDBHSA-N 1 0 374.481 2.114 50 0 FEAARO COC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000055065518 221057719 /nfs/dbraw/zinc/05/77/19/221057719.db2.gz GKARZXJQIAYBQK-SFHVURJKSA-N 1 0 373.453 2.399 50 0 FEAARO CCOC(=O)CN(C)c1ncc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cn1 ZINC000055371012 221067564 /nfs/dbraw/zinc/06/75/64/221067564.db2.gz DAMACTWHGVMWJP-AWEZNQCLSA-N 1 0 370.453 2.089 50 0 FEAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(-n2cnnc2)n1 ZINC000055343799 221067654 /nfs/dbraw/zinc/06/76/54/221067654.db2.gz BXVBIZLWWCMAEL-UHFFFAOYSA-N 1 0 356.474 2.389 50 0 FEAARO Cc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000058203322 221106177 /nfs/dbraw/zinc/10/61/77/221106177.db2.gz JRDRTGOMGNKXCT-IYBDPMFKSA-N 1 0 356.470 2.268 50 0 FEAARO CCNc1nnc(SC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000058225173 221109319 /nfs/dbraw/zinc/10/93/19/221109319.db2.gz YCWOTZGOAGOODG-AWEZNQCLSA-N 1 0 350.513 2.481 50 0 FEAARO COc1ccc([C@@H]([NH2+]CC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 ZINC000058224379 221109360 /nfs/dbraw/zinc/10/93/60/221109360.db2.gz VPOQYWVDLMUCDH-IBGZPJMESA-N 1 0 353.422 2.234 50 0 FEAARO Cc1cc(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000058311827 221113923 /nfs/dbraw/zinc/11/39/23/221113923.db2.gz QQDZIWHKRGNZJY-UHFFFAOYSA-N 1 0 356.470 2.311 50 0 FEAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](CN1CCCC1=O)c1ccccc1)CN2 ZINC000058366712 221115438 /nfs/dbraw/zinc/11/54/38/221115438.db2.gz NOFQHEGZAAUORR-FUHWJXTLSA-N 1 0 353.470 2.187 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 ZINC000063159762 221141502 /nfs/dbraw/zinc/14/15/02/221141502.db2.gz LVTNFQMGDCPDIP-UHFFFAOYSA-N 1 0 361.305 2.378 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)CC1 ZINC000065407154 221214453 /nfs/dbraw/zinc/21/44/53/221214453.db2.gz UGVQCTMNCFJMIU-LJQANCHMSA-N 1 0 357.498 2.067 50 0 FEAARO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)sc2ncn(C)c(=O)c12 ZINC000079094165 542499290 /nfs/dbraw/zinc/49/92/90/542499290.db2.gz RVMWXVDOKXHIJW-ZDUSSCGKSA-N 1 0 362.499 2.011 50 0 FEAARO CC[NH+](CC)CCN(C)C(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067654769 221267022 /nfs/dbraw/zinc/26/70/22/221267022.db2.gz XLXDTXCTRFXVCD-UHFFFAOYSA-N 1 0 354.458 2.222 50 0 FEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]CCC3(O)CCCC3)C2=O)c1 ZINC000067723539 221276039 /nfs/dbraw/zinc/27/60/39/221276039.db2.gz UBYJJHYIFASTOW-NRFANRHFSA-N 1 0 360.498 2.133 50 0 FEAARO CCc1cc(-c2cc(Cl)cc3c2O[C@@H](C[NH3+])C3)nc(N2CCOCC2)n1 ZINC000067726599 221277864 /nfs/dbraw/zinc/27/78/64/221277864.db2.gz NOKYGGOGUXEVIQ-OAHLLOKOSA-N 1 0 374.872 2.458 50 0 FEAARO CCNC(=O)c1ccc(N2CCN(C3CC[NH+](CC(C)C)CC3)CC2)nc1 ZINC000067726745 221278271 /nfs/dbraw/zinc/27/82/71/221278271.db2.gz UVMSSUWACXAXNS-UHFFFAOYSA-N 1 0 373.545 2.074 50 0 FEAARO C[N@@H+]1CC[C@@H](CNC(=O)c2coc(COc3cccc4cccnc43)n2)C1 ZINC000067676341 221268994 /nfs/dbraw/zinc/26/89/94/221268994.db2.gz XENJKUMVPZBEAD-AWEZNQCLSA-N 1 0 366.421 2.483 50 0 FEAARO Cc1cccnc1CC[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000067740600 221279095 /nfs/dbraw/zinc/27/90/95/221279095.db2.gz KNOHXRJKKUREJL-NRFANRHFSA-N 1 0 359.514 2.456 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCOCC1 ZINC000067772659 221283342 /nfs/dbraw/zinc/28/33/42/221283342.db2.gz RUWZGLMMQXQXEU-FQEVSTJZSA-N 1 0 371.525 2.222 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@@H](COC)C3)cnn2c1 ZINC000067790138 221285637 /nfs/dbraw/zinc/28/56/37/221285637.db2.gz AZKCAKDCFPWKPB-OAHLLOKOSA-N 1 0 359.474 2.070 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000067788650 221286108 /nfs/dbraw/zinc/28/61/08/221286108.db2.gz BKEDIYUFUGCRFV-IXDGSTSKSA-N 1 0 369.465 2.016 50 0 FEAARO Cc1c[nH]c(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)c(C)c1=O ZINC000067841975 221292472 /nfs/dbraw/zinc/29/24/72/221292472.db2.gz IEEXVZQWTSXEMB-UHFFFAOYSA-N 1 0 369.469 2.374 50 0 FEAARO C[NH2+]CCN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 ZINC000067885653 221301549 /nfs/dbraw/zinc/30/15/49/221301549.db2.gz BJFVDKYVERHPKK-QGZVFWFLSA-N 1 0 360.502 2.205 50 0 FEAARO CCNC(=O)N1CCC([NH2+][C@@H](C)COc2ccc3ccc(=O)oc3c2)CC1 ZINC000067934149 221305821 /nfs/dbraw/zinc/30/58/21/221305821.db2.gz NXRVSCSQYOFNNO-AWEZNQCLSA-N 1 0 373.453 2.344 50 0 FEAARO Cc1ccc(NC(C)(C)C(=O)N2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000067947409 221307699 /nfs/dbraw/zinc/30/76/99/221307699.db2.gz IYYXALJTQVIWDF-UHFFFAOYSA-N 1 0 358.530 2.424 50 0 FEAARO CCN1CCN(C(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)CC1 ZINC000067947785 221308622 /nfs/dbraw/zinc/30/86/22/221308622.db2.gz FXIAQSHXOFWKAQ-UHFFFAOYSA-N 1 0 356.470 2.127 50 0 FEAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000071144421 221336256 /nfs/dbraw/zinc/33/62/56/221336256.db2.gz OSYJBEDQXUKXOD-VIFPVBQESA-N 1 0 367.696 2.333 50 0 FEAARO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000070037463 221330618 /nfs/dbraw/zinc/33/06/18/221330618.db2.gz GILIYRGIWXEMCL-QZTJIDSGSA-N 1 0 367.449 2.250 50 0 FEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000071575508 221353008 /nfs/dbraw/zinc/35/30/08/221353008.db2.gz CTSABCZHVZRDQY-UHFFFAOYSA-N 1 0 366.469 2.436 50 0 FEAARO Cc1cccn2c(CN3CC[C@H]([NH+](C)C)C3)c(C(=O)N3CCCCC3)nc12 ZINC000071523736 221350922 /nfs/dbraw/zinc/35/09/22/221350922.db2.gz APVJCKUZLRZJTF-KRWDZBQOSA-N 1 0 369.513 2.405 50 0 FEAARO O=C(CCN1CCCC1=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071552097 221352538 /nfs/dbraw/zinc/35/25/38/221352538.db2.gz VSQHPCYEVUSESS-VLCRHTCISA-N 1 0 367.493 2.088 50 0 FEAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071736021 221356937 /nfs/dbraw/zinc/35/69/37/221356937.db2.gz GIJYYKSHSRIBRN-KRWDZBQOSA-N 1 0 368.547 2.168 50 0 FEAARO CCCOC[C@@H]1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)C1 ZINC000071750146 221362121 /nfs/dbraw/zinc/36/21/21/221362121.db2.gz ROWKCMNRLZCOSS-OAHLLOKOSA-N 1 0 353.470 2.437 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000071760427 221368467 /nfs/dbraw/zinc/36/84/67/221368467.db2.gz ZHGIZFOQLGKLFO-MRXNPFEDSA-N 1 0 373.472 2.421 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)NCc1ccccc1Cl ZINC000071762189 221369879 /nfs/dbraw/zinc/36/98/79/221369879.db2.gz ISHIQBHPPHYXMF-INIZCTEOSA-N 1 0 363.889 2.433 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2nn[nH]n2)CCC[N@@H+]1CC1CC1 ZINC000071763719 221371443 /nfs/dbraw/zinc/37/14/43/221371443.db2.gz SBZIEVABOVSKEA-SFHVURJKSA-N 1 0 368.485 2.449 50 0 FEAARO Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000072115755 221408177 /nfs/dbraw/zinc/40/81/77/221408177.db2.gz IEKUOQWQKAUKDN-UHFFFAOYSA-N 1 0 365.499 2.060 50 0 FEAARO C[C@H](Nc1nc(-c2ccco2)nc2c1CC[NH2+]CC2)c1nnc(N)s1 ZINC000072406983 221497896 /nfs/dbraw/zinc/49/78/96/221497896.db2.gz JSFFKIVFTNUZRQ-VIFPVBQESA-N 1 0 357.443 2.032 50 0 FEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(=O)n4c(C)cccc4n3)[C@H]2C1 ZINC000299757582 533261333 /nfs/dbraw/zinc/26/13/33/533261333.db2.gz KJEVMVKYBCUPSI-ABSDTBQOSA-N 1 0 357.454 2.161 50 0 FEAARO CN(C)C(=O)NCc1cc2n(n1)CCC[N@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC000082126811 542685690 /nfs/dbraw/zinc/68/56/90/542685690.db2.gz LWXCICXFOUPYFY-HNNXBMFYSA-N 1 0 363.506 2.065 50 0 FEAARO CNc1cc(C)[nH+]c(N2CCC[C@@]3(CCC(=O)N(CCCOC)C3)C2)n1 ZINC000077470400 132186297 /nfs/dbraw/zinc/18/62/97/132186297.db2.gz DXFZWDGYTFCJOW-IBGZPJMESA-N 1 0 361.490 2.072 50 0 FEAARO Cc1csc2c1ncnc2N1CCC([NH2+]CCn2nc(C)nc2C)CC1 ZINC000095507305 132212933 /nfs/dbraw/zinc/21/29/33/132212933.db2.gz QXBQYSWJKFYKAX-UHFFFAOYSA-N 1 0 371.514 2.467 50 0 FEAARO Cc1noc(-c2ccc(N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)nc2)n1 ZINC000095528427 132214852 /nfs/dbraw/zinc/21/48/52/132214852.db2.gz VCWGWCCFXJCQJM-UHFFFAOYSA-N 1 0 365.441 2.147 50 0 FEAARO Cc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106960866 132266125 /nfs/dbraw/zinc/26/61/25/132266125.db2.gz DTRKBIZOITVKKE-QGZVFWFLSA-N 1 0 351.454 2.340 50 0 FEAARO C[C@@H]1C[N@@H+](CCC(=O)NC2CCN(c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000218801485 132273316 /nfs/dbraw/zinc/27/33/16/132273316.db2.gz IOMFLWHOJWPPHS-IYBDPMFKSA-N 1 0 363.477 2.410 50 0 FEAARO Cc1ccc(C(=O)N2CCN(c3cccnc3)CC2)c(OCCC[NH3+])c1 ZINC000299787516 132299886 /nfs/dbraw/zinc/29/98/86/132299886.db2.gz ONJAXQQBLWTBJS-UHFFFAOYSA-N 1 0 354.454 2.080 50 0 FEAARO Cc1ccc(N2CC[NH+](CCCCN3C(=O)[C@H]4CCCN4C3=O)CC2)cc1 ZINC000002183394 132382684 /nfs/dbraw/zinc/38/26/84/132382684.db2.gz HRJHDAXXWFXELB-LJQANCHMSA-N 1 0 370.497 2.324 50 0 FEAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1 ZINC000012210179 132854530 /nfs/dbraw/zinc/85/45/30/132854530.db2.gz QOFNJYPZLOVHRV-UHFFFAOYSA-N 1 0 368.481 2.421 50 0 FEAARO O=C(N1C[C@@H](O)CO1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000091636517 542817490 /nfs/dbraw/zinc/81/74/90/542817490.db2.gz HUNGILYIRKZIGN-HXUWFJFHSA-N 1 0 366.461 2.355 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc3c(cc1OC)OCCO3)C2 ZINC000091644771 542817829 /nfs/dbraw/zinc/81/78/29/542817829.db2.gz MOMWEYYGYGHSNA-DOTOQJQBSA-N 1 0 362.470 2.009 50 0 FEAARO C[N@@H+]1CCN(Cc2ccccc2OC(F)(F)F)C[C@]12CCNC(=O)CC2 ZINC000091551738 542812390 /nfs/dbraw/zinc/81/23/90/542812390.db2.gz CYFDDGAMTCUOIA-KRWDZBQOSA-N 1 0 371.403 2.372 50 0 FEAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091690631 542820761 /nfs/dbraw/zinc/82/07/61/542820761.db2.gz MDSAPDMKCGGXPN-UHFFFAOYSA-N 1 0 351.454 2.091 50 0 FEAARO O=C(c1nc2ccccc2c(=O)[nH]1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091707262 542821393 /nfs/dbraw/zinc/82/13/93/542821393.db2.gz QFQCPNQZCDTSRL-HUUCEWRRSA-N 1 0 352.438 2.282 50 0 FEAARO Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000091793568 542826199 /nfs/dbraw/zinc/82/61/99/542826199.db2.gz SPVLQXVIYZSBKL-FUHWJXTLSA-N 1 0 371.460 2.036 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)c3[nH]nc(N)c3-c3ccccc3)C[C@@H]2[NH3+])o1 ZINC000091860590 542828858 /nfs/dbraw/zinc/82/88/58/542828858.db2.gz LEMWONUDIQODBP-KBPBESRZSA-N 1 0 351.410 2.127 50 0 FEAARO c1cn(Cc2nnc(C3CC[NH+](C4CCOCC4)CC3)n2C2CC2)cn1 ZINC000091914809 542832058 /nfs/dbraw/zinc/83/20/58/542832058.db2.gz WCLFZMBDXDRNAQ-UHFFFAOYSA-N 1 0 356.474 2.216 50 0 FEAARO COCC[C@]1(O)CC[N@H+](Cc2cc3c(cc2OC)OCCO3)C[C@H]1C ZINC000091915289 542832120 /nfs/dbraw/zinc/83/21/20/542832120.db2.gz LYPDRZXONZPZFX-AUUYWEPGSA-N 1 0 351.443 2.076 50 0 FEAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](C[C@@H]1COCCO1)CC2 ZINC000091872965 542830269 /nfs/dbraw/zinc/83/02/69/542830269.db2.gz MDADZYVRAJBNAH-HXUWFJFHSA-N 1 0 372.509 2.349 50 0 FEAARO COc1ccc2c(c1)OC[C@@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000091932410 542833464 /nfs/dbraw/zinc/83/34/64/542833464.db2.gz GOUMGNKTYNRDDS-IBGZPJMESA-N 1 0 366.461 2.421 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)N2CCOCC2)C3)cc1 ZINC000091974255 542834511 /nfs/dbraw/zinc/83/45/11/542834511.db2.gz JJXMQOATRRSOKP-ZWKOTPCHSA-N 1 0 359.470 2.044 50 0 FEAARO Cc1nccc(N[C@H]2C[N@H+](CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)n1 ZINC000092003415 542836497 /nfs/dbraw/zinc/83/64/97/542836497.db2.gz XYHXHPJMZQFZHQ-MSOLQXFVSA-N 1 0 359.518 2.018 50 0 FEAARO O=C(Cn1ccc(=O)c2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000092028660 542838877 /nfs/dbraw/zinc/83/88/77/542838877.db2.gz YONCDBRDGPYZCT-QZTJIDSGSA-N 1 0 365.477 2.334 50 0 FEAARO O=C(NCc1ccc2c(c1)CCCC2)[C@H]1C[NH2+]C[C@H](C(=O)N2CCCC2)C1 ZINC000095369786 542962227 /nfs/dbraw/zinc/96/22/27/542962227.db2.gz PRWPOOOXLZEYEF-WOJBJXKFSA-N 1 0 369.509 2.030 50 0 FEAARO Cc1ccccc1[C@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)N(C)C ZINC000095371904 542962536 /nfs/dbraw/zinc/96/25/36/542962536.db2.gz QHHWBJNGTNJMQF-HXUWFJFHSA-N 1 0 359.514 2.045 50 0 FEAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000095372326 542962619 /nfs/dbraw/zinc/96/26/19/542962619.db2.gz AOCUZVNCDNDMQO-UHFFFAOYSA-N 1 0 373.497 2.496 50 0 FEAARO COc1cccc(-c2noc(-c3ccc(N4CC[NH2+]CC4)nc3)n2)c1OC ZINC000072121740 136142045 /nfs/dbraw/zinc/14/20/45/136142045.db2.gz SJJNXFMCGCEEOB-UHFFFAOYSA-N 1 0 367.409 2.225 50 0 FEAARO CCNC(=O)c1ccc(N2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)nc1 ZINC000072430996 136146995 /nfs/dbraw/zinc/14/69/95/136146995.db2.gz XSPOXFXECUUFFU-LJQANCHMSA-N 1 0 374.529 2.285 50 0 FEAARO COC(=O)N1CCCC[C@H]1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000095373084 542963912 /nfs/dbraw/zinc/96/39/12/542963912.db2.gz BVAOUJYMGLDOJM-KRWDZBQOSA-N 1 0 360.458 2.050 50 0 FEAARO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095352381 542957141 /nfs/dbraw/zinc/95/71/41/542957141.db2.gz JATOTOHDLAXVJS-CQSZACIVSA-N 1 0 357.487 2.204 50 0 FEAARO CCN1CC[C@]2(CN(Cc3ccc(-c4cc[nH]n4)o3)CC[N@@H+]2C)CCC1=O ZINC000095356258 542958129 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FEAARO CC(C)C(=O)NCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095531424 542983126 /nfs/dbraw/zinc/98/31/26/542983126.db2.gz YVXHRGRJPHBWCK-GOSISDBHSA-N 1 0 357.498 2.239 50 0 FEAARO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000095531680 542983209 /nfs/dbraw/zinc/98/32/09/542983209.db2.gz FQZUWOOGCOHWDT-UHFFFAOYSA-N 1 0 368.363 2.265 50 0 FEAARO CCOCCOc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000095961590 542984442 /nfs/dbraw/zinc/98/44/42/542984442.db2.gz PWSQYYWIZXYQHX-INIZCTEOSA-N 1 0 370.515 2.112 50 0 FEAARO COCC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000095958664 542984589 /nfs/dbraw/zinc/98/45/89/542984589.db2.gz AYRNPBWHUFQAAK-GOSISDBHSA-N 1 0 374.481 2.480 50 0 FEAARO C[N@@H+]1CCC[C@@H](CN2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522898 542979932 /nfs/dbraw/zinc/97/99/32/542979932.db2.gz YJCWYQQZGXWMEB-QGZVFWFLSA-N 1 0 374.533 2.490 50 0 FEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000095529008 542982048 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COCCNC(=O)c1ccc(NC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096142093 222046263 /nfs/dbraw/zinc/04/62/63/222046263.db2.gz BRCRIXUIDOQAPG-FQEVSTJZSA-N 1 0 374.485 2.012 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccncc2)C[N@@H+]1C1CCCC1 ZINC000096179682 222067504 /nfs/dbraw/zinc/06/75/04/222067504.db2.gz KAHVZUZOQCALML-WMZOPIPTSA-N 1 0 358.486 2.065 50 0 FEAARO CN1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)[C@H](C[NH3+])C1 ZINC000097228993 222170148 /nfs/dbraw/zinc/17/01/48/222170148.db2.gz DTIOEVOVJUCVNF-OAHLLOKOSA-N 1 0 363.383 2.486 50 0 FEAARO COCc1ccc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)o1 ZINC000097492924 222185157 /nfs/dbraw/zinc/18/51/57/222185157.db2.gz QQABPMKUYSNVAA-UHFFFAOYSA-N 1 0 357.454 2.103 50 0 FEAARO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CCn2c(C)cccc2=O)C1 ZINC000097637870 222200881 /nfs/dbraw/zinc/20/08/81/222200881.db2.gz BKSMVEJSIJHASA-IBGZPJMESA-N 1 0 367.493 2.494 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2nc(NCc3cccs3)[nH]c2n1 ZINC000101797066 222284394 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COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)no2)c(OCC[NH3+])c1 ZINC000426632836 263647461 /nfs/dbraw/zinc/64/74/61/263647461.db2.gz DIIFENSYQGIWFE-OAHLLOKOSA-N 1 0 360.414 2.092 50 0 FEAARO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1COc2ccccc21 ZINC000189531363 328153366 /nfs/dbraw/zinc/15/33/66/328153366.db2.gz KWFYERSFSOOWOD-ZOBUZTSGSA-N 1 0 361.486 2.038 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172459095 327202836 /nfs/dbraw/zinc/20/28/36/327202836.db2.gz CJXJMMCDVKNBRA-UHFFFAOYSA-N 1 0 354.397 2.472 50 0 FEAARO CCCCO[C@H]1C[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1(C)C ZINC000236866849 520845590 /nfs/dbraw/zinc/84/55/90/520845590.db2.gz ZAJMHJHOIQWXSP-CVEARBPZSA-N 1 0 363.506 2.225 50 0 FEAARO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)C1 ZINC000248321234 521104027 /nfs/dbraw/zinc/10/40/27/521104027.db2.gz UMIWLDKSHOALRQ-MOPGFXCFSA-N 1 0 358.482 2.495 50 0 FEAARO CCCc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)o1 ZINC000091587143 521396714 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FEAARO C[N@@H+]1CC[C@H](NC(=O)CCNC(=O)c2ccsc2)[C@@H]1c1ccccc1 ZINC000089375134 523983455 /nfs/dbraw/zinc/98/34/55/523983455.db2.gz QJWOLSJWGCHULC-WMZOPIPTSA-N 1 0 357.479 2.430 50 0 FEAARO Cc1cc(C)n(CCCC(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3C)n1 ZINC000091445220 524517275 /nfs/dbraw/zinc/51/72/75/524517275.db2.gz SJILESVKRBVSOV-UHFFFAOYSA-N 1 0 370.501 2.009 50 0 FEAARO Cc1ccccc1[C@@H](NC(=O)CN(C)C1CC[NH2+]CC1)c1ccncc1 ZINC000299767041 534834708 /nfs/dbraw/zinc/83/47/08/534834708.db2.gz BFUGIJASKWAGJT-NRFANRHFSA-N 1 0 352.482 2.279 50 0 FEAARO Cc1cc(-n2c(C)cc(C(=O)CSc3nc(N)cc(N)[nH+]3)c2C)no1 ZINC000003354819 526069532 /nfs/dbraw/zinc/06/95/32/526069532.db2.gz JACZHDROXCCJJE-UHFFFAOYSA-N 1 0 358.427 2.320 50 0 FEAARO O=C(CN1CCCCCC1=O)N[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1C1CC1 ZINC000091518750 526739736 /nfs/dbraw/zinc/73/97/36/526739736.db2.gz SLYGARZCRLPDEM-MSOLQXFVSA-N 1 0 359.470 2.009 50 0 FEAARO CCOc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000299739650 528216872 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CC(C)C[N@@H+]1CCn2nc(CNC(=O)[C@@H]3COc4ccccc4C3)cc2C1 ZINC000214958221 548667991 /nfs/dbraw/zinc/66/79/91/548667991.db2.gz JPQQBQUHNGLXEZ-KRWDZBQOSA-N 1 0 368.481 2.222 50 0 FEAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCCn3ccnc3)cc2)C1 ZINC000215152389 548669840 /nfs/dbraw/zinc/66/98/40/548669840.db2.gz FFURFFGPYDOYMY-GOSISDBHSA-N 1 0 356.470 2.310 50 0 FEAARO Cc1cc(C)n2ncc(CN3CCC[N@H+](Cc4cccnc4)CC3)c2n1 ZINC000216199370 548675404 /nfs/dbraw/zinc/67/54/04/548675404.db2.gz ANOQNQMHDNDIKI-UHFFFAOYSA-N 1 0 350.470 2.449 50 0 FEAARO Cc1noc(C)c1CO[C@H]1CCOC[C@H]1[NH2+]C1CSCCSC1 ZINC000219027474 548691487 /nfs/dbraw/zinc/69/14/87/548691487.db2.gz FQLMLRVEJPQBEC-CVEARBPZSA-N 1 0 358.529 2.404 50 0 FEAARO O=C(c1cccc2c1OCCO2)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000219190925 548692545 /nfs/dbraw/zinc/69/25/45/548692545.db2.gz ITYAHFWLHVNACL-MRXNPFEDSA-N 1 0 360.454 2.175 50 0 FEAARO CCN1Cc2ccccc2C[C@H]1C(=O)NCc1cn2nc(C)sc2n1 ZINC000221241368 548704361 /nfs/dbraw/zinc/70/43/61/548704361.db2.gz OSDQBKQEUZHFNS-INIZCTEOSA-N 1 0 355.467 2.162 50 0 FEAARO C[NH+](C)Cc1ccc(CNC(=O)C2(N3CCOCC3)CCCCC2)cc1 ZINC000222677543 548710094 /nfs/dbraw/zinc/71/00/94/548710094.db2.gz MAAOEVBCQGQNDR-UHFFFAOYSA-N 1 0 359.514 2.400 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000226848563 548749627 /nfs/dbraw/zinc/74/96/27/548749627.db2.gz QCVZJYLFZYHJSR-SCTDSRPQSA-N 1 0 355.482 2.420 50 0 FEAARO COc1cc(OC)cc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000229653676 548757199 /nfs/dbraw/zinc/75/71/99/548757199.db2.gz KAHHWESBGFKGNJ-YQQAZPJKSA-N 1 0 362.470 2.418 50 0 FEAARO CN1C(=O)CC[C@@H](C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237061638 548798023 /nfs/dbraw/zinc/79/80/23/548798023.db2.gz GPZVORKUHLCYNW-GDBMZVCRSA-N 1 0 369.387 2.047 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C1 ZINC000237456520 548827823 /nfs/dbraw/zinc/82/78/23/548827823.db2.gz XEURJADQYVUKDV-RYUDHWBXSA-N 1 0 367.375 2.486 50 0 FEAARO Cc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)s2)cc1Cl ZINC000237829695 548856211 /nfs/dbraw/zinc/85/62/11/548856211.db2.gz RUHLDIQIPRHWKY-RISCZKNCSA-N 1 0 351.859 2.357 50 0 FEAARO [NH3+]CC(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000237947046 548867083 /nfs/dbraw/zinc/86/70/83/548867083.db2.gz YWFLAVWBZPRAET-LBPRGKRZSA-N 1 0 365.231 2.045 50 0 FEAARO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000237993025 548869607 /nfs/dbraw/zinc/86/96/07/548869607.db2.gz GITVCCKARWBOHG-PKOBYXMFSA-N 1 0 366.889 2.381 50 0 FEAARO CCc1nn2c(nc(C[N@@H+]3CCCC[C@H]3CCn3cccn3)cc2=O)s1 ZINC000240203763 548884087 /nfs/dbraw/zinc/88/40/87/548884087.db2.gz JSXAUQPLMIEXHR-HNNXBMFYSA-N 1 0 372.498 2.355 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000244641249 548891461 /nfs/dbraw/zinc/89/14/61/548891461.db2.gz GMFRKKFGLDCTJK-LJQANCHMSA-N 1 0 363.527 2.183 50 0 FEAARO CC(=O)N(C)c1ccc(NC(=O)CN2CC([N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000244723839 548893888 /nfs/dbraw/zinc/89/38/88/548893888.db2.gz MIHQCTIKBNAAJT-OAHLLOKOSA-N 1 0 358.486 2.166 50 0 FEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000244748686 548894511 /nfs/dbraw/zinc/89/45/11/548894511.db2.gz OMMAEHDOJWFGDY-KBPBESRZSA-N 1 0 368.359 2.175 50 0 FEAARO COc1ccc(CC(=O)N[C@H]2CCCN(Cc3cccnc3)C2)c(OC)c1 ZINC000244884186 548898450 /nfs/dbraw/zinc/89/84/50/548898450.db2.gz YHAOUKRGKOHALN-SFHVURJKSA-N 1 0 369.465 2.422 50 0 FEAARO Nc1nc(N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c2c([nH+]1)CCC2 ZINC000252528100 549672882 /nfs/dbraw/zinc/67/28/82/549672882.db2.gz FBWZKUAAVBZCJP-QWQRMKEZSA-N 1 0 352.438 2.407 50 0 FEAARO COC[C@@H]1C[N@H+](Cc2ccc(Br)o2)C[C@H]1C(=O)NC1CC1 ZINC000253412723 549687438 /nfs/dbraw/zinc/68/74/38/549687438.db2.gz RUQGKDRIYUGTHU-GXFFZTMASA-N 1 0 357.248 2.015 50 0 FEAARO Cc1noc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4C)C3)C2=O)n1 ZINC000257193980 549716138 /nfs/dbraw/zinc/71/61/38/549716138.db2.gz SHSRBKQURUMGEF-QGZVFWFLSA-N 1 0 355.442 2.199 50 0 FEAARO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)[C@@H]1COC[C@H]1O ZINC000289649710 552355557 /nfs/dbraw/zinc/35/55/57/552355557.db2.gz MTFNFMBTFXOXGO-WOJBJXKFSA-N 1 0 364.449 2.185 50 0 FEAARO CC(C)c1nn(C)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000331917475 554346444 /nfs/dbraw/zinc/34/64/44/554346444.db2.gz ZRGITRDIHUSKHT-SJORKVTESA-N 1 0 363.506 2.433 50 0 FEAARO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000333808010 554645322 /nfs/dbraw/zinc/64/53/22/554645322.db2.gz IUPODCMHJNSLKO-CRAIPNDOSA-N 1 0 364.511 2.311 50 0 FEAARO COc1cc(CCC2CC[NH+](CCN3CCNC3=O)CC2)cc(OC)c1 ZINC000368004453 556193387 /nfs/dbraw/zinc/19/33/87/556193387.db2.gz DHBRYJYCCJCTIK-UHFFFAOYSA-N 1 0 361.486 2.374 50 0 FEAARO C[N@H+](CCNc1cc([C@H]2CCOC2)ncn1)Cc1ccc2ccccc2n1 ZINC000426489820 559735719 /nfs/dbraw/zinc/73/57/19/559735719.db2.gz XIXNBQSHPGSCAE-KRWDZBQOSA-N 1 0 363.465 3.073 50 0 FEAARO CN(Cc1cnc2ccccc2n1)C(=O)Cc1ccc(OCC[NH3+])cc1 ZINC000426599516 559738584 /nfs/dbraw/zinc/73/85/84/559738584.db2.gz GXGKPTKXSJUNBB-UHFFFAOYSA-N 1 0 350.422 2.168 50 0 FEAARO NC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)s1 ZINC000426668965 559740067 /nfs/dbraw/zinc/74/00/67/559740067.db2.gz HTPVPLKBAMDOEU-HNNXBMFYSA-N 1 0 355.463 2.434 50 0 FEAARO C[NH+]1CCC(OCCCNC(=O)c2ccc(-c3ncccn3)cc2)CC1 ZINC000426701628 559740564 /nfs/dbraw/zinc/74/05/64/559740564.db2.gz OSUBKRFYXUPQQD-UHFFFAOYSA-N 1 0 354.454 2.374 50 0 FEAARO CCCc1ccc(OCCNC(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000534585954 562537543 /nfs/dbraw/zinc/53/75/43/562537543.db2.gz LUBSSWKZQQABMA-LJQANCHMSA-N 1 0 374.529 2.049 50 0 FEAARO CN(C)c1cncc(-c2ccc(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc2)n1 ZINC000534653365 562539267 /nfs/dbraw/zinc/53/92/67/562539267.db2.gz BTFYVWDQIRUESN-SFHVURJKSA-N 1 0 351.454 2.034 50 0 FEAARO Cc1ccc2[nH]c(CN(C)C(=O)NCC[C@H](C)[NH+]3CCN(C)CC3)nc2c1 ZINC000534649916 562539269 /nfs/dbraw/zinc/53/92/69/562539269.db2.gz QHIXGYFJCSDEQS-INIZCTEOSA-N 1 0 372.517 2.039 50 0 FEAARO O=C(CC[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccccc1)C2=O)NC1CC1 ZINC000426428923 570498207 /nfs/dbraw/zinc/49/82/07/570498207.db2.gz SBTIDXMIZMYJAZ-QFIPXVFZSA-N 1 0 369.509 2.212 50 0 FEAARO COc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1O ZINC000039442227 571089249 /nfs/dbraw/zinc/08/92/49/571089249.db2.gz YWWHDKSKGXJRNK-LJQANCHMSA-N 1 0 356.466 2.470 50 0 FEAARO O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000685942105 571102954 /nfs/dbraw/zinc/10/29/54/571102954.db2.gz LEVSHHAWMZJCNO-MRXNPFEDSA-N 1 0 358.417 2.309 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000426421373 571223081 /nfs/dbraw/zinc/22/30/81/571223081.db2.gz YSAWJPJUCITYNZ-NRFANRHFSA-N 1 0 370.449 2.157 50 0 FEAARO Cc1ccc(F)c(CNC(=O)N2CCN(CCC[NH+](C)C)CC2)c1F ZINC000426421108 571223099 /nfs/dbraw/zinc/22/30/99/571223099.db2.gz JYPFLMXNMKJPGR-UHFFFAOYSA-N 1 0 354.445 2.052 50 0 FEAARO CC[NH+]1CCN(C(C)(C)CNC(=O)N2CC(Oc3ccc(C)cc3)C2)CC1 ZINC000584885876 571313724 /nfs/dbraw/zinc/31/37/24/571313724.db2.gz SRCYWGPSZHREDI-UHFFFAOYSA-N 1 0 374.529 2.184 50 0 FEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652384804 677485758 /nfs/dbraw/zinc/48/57/58/677485758.db2.gz ODCAAKIRQZNYJS-BMFZPTHFSA-N 1 0 356.463 2.184 50 0 FEAARO CCc1nccn1CCC(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000299783623 529759939 /nfs/dbraw/zinc/75/99/39/529759939.db2.gz WDQQJBLRXKJURC-UHFFFAOYSA-N 1 0 356.470 2.322 50 0 FEAARO O[C@@H](Cn1ccc2ccccc21)CN1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000004299561 539381888 /nfs/dbraw/zinc/38/18/88/539381888.db2.gz YIKVGKGVFYPZHE-URVUXULASA-N 1 0 371.525 2.360 50 0 FEAARO Cc1nn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(=O)c2ccccc12 ZINC000004577376 539388574 /nfs/dbraw/zinc/38/85/74/539388574.db2.gz DYXYVQSWCBTQSP-UHFFFAOYSA-N 1 0 356.470 2.130 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000004687387 539390459 /nfs/dbraw/zinc/39/04/59/539390459.db2.gz XPNCNAHMNHJFOY-QGZVFWFLSA-N 1 0 368.481 2.149 50 0 FEAARO C[N@H+](CCNC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1)Cc1ccccc1 ZINC000005123254 539401946 /nfs/dbraw/zinc/40/19/46/539401946.db2.gz MWOZCTNXJZQAAZ-SFHVURJKSA-N 1 0 366.465 2.223 50 0 FEAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000004977433 539397811 /nfs/dbraw/zinc/39/78/11/539397811.db2.gz XZZMZYXJQAQCBB-OAHLLOKOSA-N 1 0 350.459 2.490 50 0 FEAARO COc1ccc(Br)cc1C[NH2+]CCCSc1nnnn1C ZINC000004993807 539398732 /nfs/dbraw/zinc/39/87/32/539398732.db2.gz KUZQJIOIXSCANM-UHFFFAOYSA-N 1 0 372.292 2.253 50 0 FEAARO Cc1cc(OCC(=O)NCCC[NH+](C)C)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005205356 539405542 /nfs/dbraw/zinc/40/55/42/539405542.db2.gz RWQFQNSQASDDGS-UHFFFAOYSA-N 1 0 372.465 2.427 50 0 FEAARO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@@H]1C ZINC000006586281 539430382 /nfs/dbraw/zinc/43/03/82/539430382.db2.gz VMFGFLCXPLOUOF-CKEIUWERSA-N 1 0 367.515 2.290 50 0 FEAARO O=S(=O)(N[C@@H]1CCCC[C@H]1[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000006809593 539438173 /nfs/dbraw/zinc/43/81/73/539438173.db2.gz HTCDBGQRFYGWGB-IAGOWNOFSA-N 1 0 372.918 2.386 50 0 FEAARO C/C=C/c1ccc(OC[C@@H](O)C[NH+](CCOC)CCOC)c(OC)c1 ZINC000006904390 539441173 /nfs/dbraw/zinc/44/11/73/539441173.db2.gz MLOHZAVXDIVOHQ-RTRPANQVSA-N 1 0 353.459 2.063 50 0 FEAARO Cc1ccc(NC(=O)C[NH2+]C2CCCCCC2)cc1S(=O)(=O)N(C)C ZINC000007654169 539462713 /nfs/dbraw/zinc/46/27/13/539462713.db2.gz LDVMVNBZYHMDKF-UHFFFAOYSA-N 1 0 367.515 2.496 50 0 FEAARO CCOc1cc(CNCCC[NH2+]C)ccc1OCC(=O)NC(C)(C)C ZINC000008254409 539481617 /nfs/dbraw/zinc/48/16/17/539481617.db2.gz ABVIWHTXTJXHPO-UHFFFAOYSA-N 1 0 351.491 2.078 50 0 FEAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H](O)CO)c1 ZINC000011873830 539537838 /nfs/dbraw/zinc/53/78/38/539537838.db2.gz FHBDCPAEUAVAJW-IBGZPJMESA-N 1 0 367.449 2.333 50 0 FEAARO Cc1nn(C)cc1C[N@H+](C)C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000011934804 539540034 /nfs/dbraw/zinc/54/00/34/539540034.db2.gz PRDXFWKLRYIVQX-OAQYLSRUSA-N 1 0 370.497 2.022 50 0 FEAARO CC(C)=CC[N@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000011996521 539539559 /nfs/dbraw/zinc/53/95/59/539539559.db2.gz RLKCLANSGNMWOW-UHFFFAOYSA-N 1 0 367.497 2.383 50 0 FEAARO COC(=O)CC[C@H]1CN(Cc2cc(OC)ccc2OC)CC[C@H]1[NH+](C)C ZINC000012041178 539541856 /nfs/dbraw/zinc/54/18/56/539541856.db2.gz MDBUBLKXECHKKC-MAUKXSAKSA-N 1 0 364.486 2.409 50 0 FEAARO COc1cc(OC)cc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)c1 ZINC000012196180 539549390 /nfs/dbraw/zinc/54/93/90/539549390.db2.gz XIQMZQDAGOLNAS-KRWDZBQOSA-N 1 0 372.421 2.465 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000012303395 539553411 /nfs/dbraw/zinc/55/34/11/539553411.db2.gz IAKLPEHAFYGEAS-CQSZACIVSA-N 1 0 361.511 2.343 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014140703 539596740 /nfs/dbraw/zinc/59/67/40/539596740.db2.gz FQKIPROECVQBJF-SFHVURJKSA-N 1 0 361.461 2.278 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C)[C@@H](C)C3)nc2)on1 ZINC000014948384 539608396 /nfs/dbraw/zinc/60/83/96/539608396.db2.gz SFOXEHOHKHDHIR-AWEZNQCLSA-N 1 0 357.458 2.092 50 0 FEAARO Cc1cc(O[C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc(C)c1Cl ZINC000022935232 539703419 /nfs/dbraw/zinc/70/34/19/539703419.db2.gz SBJUCCSLBFDDFT-MRXNPFEDSA-N 1 0 367.921 2.478 50 0 FEAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)C(=O)NC1CCCCCC1 ZINC000023127488 539706708 /nfs/dbraw/zinc/70/67/08/539706708.db2.gz KICYVVGELJHNSS-UHFFFAOYSA-N 1 0 361.486 2.447 50 0 FEAARO c1cc(COc2ccc(C[NH2+]CCN3CCOCC3)cc2)cc2c1OCO2 ZINC000023114586 539705955 /nfs/dbraw/zinc/70/59/55/539705955.db2.gz VRLJFSQUPQJGDB-UHFFFAOYSA-N 1 0 370.449 2.416 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373201 539713456 /nfs/dbraw/zinc/71/34/56/539713456.db2.gz SUKOJZGCACLAFD-IBGZPJMESA-N 1 0 351.922 2.303 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccsc1 ZINC000025329720 539756104 /nfs/dbraw/zinc/75/61/04/539756104.db2.gz JVIVDITXIXIKMI-INIZCTEOSA-N 1 0 366.508 2.325 50 0 FEAARO CC(C)(C)NC(=O)CN1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000029148649 539844707 /nfs/dbraw/zinc/84/47/07/539844707.db2.gz PEPPAISYGVGEBC-UHFFFAOYSA-N 1 0 369.513 2.295 50 0 FEAARO Cc1sc2ncnc(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2c1C ZINC000029831569 539865087 /nfs/dbraw/zinc/86/50/87/539865087.db2.gz TZLIFZCCDYMPFA-GJZGRUSLSA-N 1 0 362.499 2.457 50 0 FEAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1 ZINC000031232750 539901782 /nfs/dbraw/zinc/90/17/82/539901782.db2.gz FGFYLFDAFYNVEJ-UHFFFAOYSA-N 1 0 361.467 2.251 50 0 FEAARO Cn1ncc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1-n1cccc1 ZINC000032730751 539949372 /nfs/dbraw/zinc/94/93/72/539949372.db2.gz YPHWCGOLWOWDIP-KRWDZBQOSA-N 1 0 355.417 2.383 50 0 FEAARO CCC[NH+]1CCN(C(=O)c2cccc([C@H]3CCCN(C(=O)NC)C3)c2)CC1 ZINC000033264546 539973011 /nfs/dbraw/zinc/97/30/11/539973011.db2.gz URDMNNRNYMKGJL-IBGZPJMESA-N 1 0 372.513 2.373 50 0 FEAARO O=C(CCn1cncn1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000039355046 540001435 /nfs/dbraw/zinc/00/14/35/540001435.db2.gz OPBFUEDGQBYXBI-HXUWFJFHSA-N 1 0 371.460 2.322 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)c2cc(Br)ccc2F)CC1 ZINC000041349701 540018175 /nfs/dbraw/zinc/01/81/75/540018175.db2.gz CMLNSFZUDUZQJQ-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000237279091 222906734 /nfs/dbraw/zinc/90/67/34/222906734.db2.gz WQENKSUZZFZIQS-CZUORRHYSA-N 1 0 361.873 2.293 50 0 FEAARO COc1ccc(NC(=O)COc2ccc(C[NH2+]CCCO)cc2OC)cc1 ZINC000002881852 219473173 /nfs/dbraw/zinc/47/31/73/219473173.db2.gz XCDRNSMFCJNDDL-UHFFFAOYSA-N 1 0 374.437 2.193 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccccc1=O)c1cccc(OC)c1 ZINC000045827561 540229943 /nfs/dbraw/zinc/22/99/43/540229943.db2.gz PURPQKZYWVHIGY-SFHVURJKSA-N 1 0 357.454 2.056 50 0 FEAARO CCCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966674 540235803 /nfs/dbraw/zinc/23/58/03/540235803.db2.gz PXYKGQGOJQNWFY-UHFFFAOYSA-N 1 0 367.440 2.419 50 0 FEAARO CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CC[NH+](C)CC1)C2(C)C ZINC000052509437 540469485 /nfs/dbraw/zinc/46/94/85/540469485.db2.gz HUXYBQXJVXOMKX-UHFFFAOYSA-N 1 0 361.490 2.313 50 0 investigational FEAARO COc1ccc(OCCC[NH3+])c(C(=O)NCC2(O)CCC(F)(F)CC2)c1 ZINC000299769213 223088459 /nfs/dbraw/zinc/08/84/59/223088459.db2.gz MDWQRQISZKFWPO-UHFFFAOYSA-N 1 0 372.412 2.093 50 0 FEAARO O=C(Cn1nccn1)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000299772936 223088536 /nfs/dbraw/zinc/08/85/36/223088536.db2.gz DECYGNDLLCMRJF-HXUWFJFHSA-N 1 0 353.470 2.183 50 0 FEAARO Cc1cc(C)n(CCC[N@@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)n1 ZINC000299778015 223091992 /nfs/dbraw/zinc/09/19/92/223091992.db2.gz PWXBZZRPMMELCJ-UHFFFAOYSA-N 1 0 370.501 2.019 50 0 FEAARO Cn1cc(C[NH2+]CCCn2cccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000011873286 219938105 /nfs/dbraw/zinc/93/81/05/219938105.db2.gz NITHYBBIZBTGDL-UHFFFAOYSA-N 1 0 353.426 2.235 50 0 FEAARO Cn1cnnc1SCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012475633 220000190 /nfs/dbraw/zinc/00/01/90/220000190.db2.gz WLPUSIVXMXOUBR-OAHLLOKOSA-N 1 0 351.520 2.068 50 0 FEAARO OC1CC[NH+](CCNc2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072140195 541785881 /nfs/dbraw/zinc/78/58/81/541785881.db2.gz XHFWVUUMPZIOEL-UHFFFAOYSA-N 1 0 355.417 2.404 50 0 FEAARO O=C([C@@H]1Cc2cc(Cl)ccc2N1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072143602 541786933 /nfs/dbraw/zinc/78/69/33/541786933.db2.gz MMHGLZJVLXNKQE-SFHVURJKSA-N 1 0 363.889 2.124 50 0 FEAARO CCOc1ncccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2O ZINC000072154119 541790654 /nfs/dbraw/zinc/79/06/54/541790654.db2.gz WXVKVFLMDKKSDP-MSOLQXFVSA-N 1 0 367.449 2.029 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3cc(C)n[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072152891 541790757 /nfs/dbraw/zinc/79/07/57/541790757.db2.gz PCXHBBHSMWBVPG-MISYRCLQSA-N 1 0 366.465 2.429 50 0 FEAARO O[C@@H]1CN(Cc2cc3n(n2)CC[NH2+]C3)CC[C@H]1c1ccc2ccccc2c1 ZINC000072163321 541792872 /nfs/dbraw/zinc/79/28/72/541792872.db2.gz IQJMKKZZBLSLGI-FCHUYYIVSA-N 1 0 362.477 2.490 50 0 FEAARO CN(CCOc1ccccc1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000072284187 541797499 /nfs/dbraw/zinc/79/74/99/541797499.db2.gz SFJAJXMJFHAARD-NRFANRHFSA-N 1 0 354.450 2.161 50 0 FEAARO CC(=O)c1c[nH]c(C(=O)Nc2ccc(CC[NH+]3CCC(O)CC3)cc2)c1 ZINC000072304691 541797976 /nfs/dbraw/zinc/79/79/76/541797976.db2.gz DPJQWOFQYSAZGW-UHFFFAOYSA-N 1 0 355.438 2.469 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072407499 541805757 /nfs/dbraw/zinc/80/57/57/541805757.db2.gz BVVHTTOBHAKBJP-NRFANRHFSA-N 1 0 372.513 2.155 50 0 FEAARO Cc1nc2c(c(NCCn3cccn3)n1)CC[N@H+](Cc1ccoc1)CC2 ZINC000072408829 541806308 /nfs/dbraw/zinc/80/63/08/541806308.db2.gz HCESDKIUOMFREP-UHFFFAOYSA-N 1 0 352.442 2.287 50 0 FEAARO CCNC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072423269 541809875 /nfs/dbraw/zinc/80/98/75/541809875.db2.gz RARYEFYKRJGXGR-OAQYLSRUSA-N 1 0 357.498 2.417 50 0 FEAARO CC(C)(O)CCc1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000072430211 541812328 /nfs/dbraw/zinc/81/23/28/541812328.db2.gz VODADFLUWCQXHN-OALUTQOASA-N 1 0 360.498 2.373 50 0 FEAARO C[C@@H](CCNC(=O)c1cccc(CCC(C)(C)O)c1)[NH+]1CCN(C)CC1 ZINC000072430879 541812356 /nfs/dbraw/zinc/81/23/56/541812356.db2.gz ZGEGGALCEMEDCN-KRWDZBQOSA-N 1 0 361.530 2.146 50 0 FEAARO O=C1CC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2N1CCCn1ccnc1 ZINC000072430912 541812411 /nfs/dbraw/zinc/81/24/11/541812411.db2.gz DMDZASNPCRNCCL-RBUKOAKNSA-N 1 0 353.470 2.181 50 0 FEAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)c3coc4ccccc34)CC[C@H]21 ZINC000072435659 541814164 /nfs/dbraw/zinc/81/41/64/541814164.db2.gz VUSJYPXTUCFDFY-WMLDXEAASA-N 1 0 355.438 2.235 50 0 FEAARO CN(Cc1nccs1)c1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072457123 541816916 /nfs/dbraw/zinc/81/69/16/541816916.db2.gz IZJHOCDYSUHJPO-UHFFFAOYSA-N 1 0 352.467 2.320 50 0 FEAARO O[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1N1CCN(c2nsc3ccccc32)CC1 ZINC000072463215 541817682 /nfs/dbraw/zinc/81/76/82/541817682.db2.gz KXGWDSPMVQZVDV-ROUUACIJSA-N 1 0 372.538 2.406 50 0 FEAARO COc1cccc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CC[NH2+]C3)c1 ZINC000072474050 541818372 /nfs/dbraw/zinc/81/83/72/541818372.db2.gz NUFBSGGMKGGNJA-IBGZPJMESA-N 1 0 354.454 2.291 50 0 FEAARO Cc1ccccc1OC[C@@H]1CCCN(C(=O)C2CC[NH+](CCO)CC2)C1 ZINC000072476688 541819501 /nfs/dbraw/zinc/81/95/01/541819501.db2.gz USCRYYNYXCLCNE-GOSISDBHSA-N 1 0 360.498 2.317 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CCN3CCCCC3=O)C2)c1 ZINC000012597371 220012128 /nfs/dbraw/zinc/01/21/28/220012128.db2.gz BYCSSUCREUIYAK-SFHVURJKSA-N 1 0 373.497 2.178 50 0 FEAARO COC(=O)CCC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012836867 220034409 /nfs/dbraw/zinc/03/44/09/220034409.db2.gz JJIJWDLILAVQNN-UHFFFAOYSA-N 1 0 364.461 2.492 50 0 FEAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000012812363 220032698 /nfs/dbraw/zinc/03/26/98/220032698.db2.gz QCPIDGVMTSPZEE-LJQANCHMSA-N 1 0 373.497 2.336 50 0 FEAARO COCCNC(=O)NC(=O)C[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000012855688 220036078 /nfs/dbraw/zinc/03/60/78/220036078.db2.gz FBJQYELKMINTBA-UHFFFAOYSA-N 1 0 365.449 2.433 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(F)c1 ZINC000012912585 220041909 /nfs/dbraw/zinc/04/19/09/220041909.db2.gz RFDRHBIBPGBASL-MRXNPFEDSA-N 1 0 357.385 2.189 50 0 FEAARO CCC(=O)c1ccc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000014117664 220107555 /nfs/dbraw/zinc/10/75/55/220107555.db2.gz DMXCDUMTMSMLLO-SFHVURJKSA-N 1 0 362.470 2.131 50 0 FEAARO C[NH+](C)CCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733350 220162677 /nfs/dbraw/zinc/16/26/77/220162677.db2.gz CNATUUDMHANMDO-UHFFFAOYSA-N 1 0 366.421 2.460 50 0 FEAARO COC(=O)CC[C@H]1CN(Cc2ccc(OC)cc2OC)CC[C@H]1[NH+](C)C ZINC000019229210 220240889 /nfs/dbraw/zinc/24/08/89/220240889.db2.gz QTWSKCHJBLQJLZ-MAUKXSAKSA-N 1 0 364.486 2.409 50 0 FEAARO Cn1ccnc1CN1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000019300102 220249778 /nfs/dbraw/zinc/24/97/78/220249778.db2.gz XVCWNCQGPBPWFG-RTWAWAEBSA-N 1 0 366.509 2.465 50 0 FEAARO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Cl)c1OCC(N)=O ZINC000019366853 220252901 /nfs/dbraw/zinc/25/29/01/220252901.db2.gz NPXMYXWICHRIAL-AWEZNQCLSA-N 1 0 369.893 2.177 50 0 FEAARO CN(Cc1cccc2ccccc21)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074223795 542055846 /nfs/dbraw/zinc/05/58/46/542055846.db2.gz XGAOQQPIHRZOPH-GOSISDBHSA-N 1 0 353.466 2.208 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000299738586 532984009 /nfs/dbraw/zinc/98/40/09/532984009.db2.gz CKMCKAURCJGCFV-NXEZZACHSA-N 1 0 365.268 2.336 50 0 FEAARO O=c1c2c3c(sc2ncn1C[C@H]1OCCc2ccccc21)C[NH2+]CC3 ZINC000077287211 542362468 /nfs/dbraw/zinc/36/24/68/542362468.db2.gz YKUXCHBKZYZTMO-OAHLLOKOSA-N 1 0 353.447 2.418 50 0 FEAARO O=c1c2c3c(sc2ncn1C[C@@H]1OCCc2ccccc21)C[NH2+]CC3 ZINC000077287213 542362593 /nfs/dbraw/zinc/36/25/93/542362593.db2.gz YKUXCHBKZYZTMO-HNNXBMFYSA-N 1 0 353.447 2.418 50 0 FEAARO O=C(c1ccccc1N1CCCC1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077343294 542370628 /nfs/dbraw/zinc/37/06/28/542370628.db2.gz FEJSUVTWNVVMGG-OAQYLSRUSA-N 1 0 357.498 2.350 50 0 FEAARO C[NH+]1CCN(CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)CC1 ZINC000020265979 220320464 /nfs/dbraw/zinc/32/04/64/220320464.db2.gz UDLKTRDUWFCWNA-MHWRWJLKSA-N 1 0 356.451 2.409 50 0 FEAARO Cc1cc(Cl)c(OCCOCCNCC[NH3+])c(Br)c1 ZINC000020118370 220314549 /nfs/dbraw/zinc/31/45/49/220314549.db2.gz SXSLNRBIZVEESC-UHFFFAOYSA-N 1 0 351.672 2.355 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000077379239 542375705 /nfs/dbraw/zinc/37/57/05/542375705.db2.gz BEDNWKYFMBNTIF-UHFFFAOYSA-N 1 0 369.513 2.069 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CN1CCO ZINC000077406554 542379010 /nfs/dbraw/zinc/37/90/10/542379010.db2.gz IGVMOILSBMCMBU-OAQYLSRUSA-N 1 0 368.481 2.069 50 0 FEAARO O=C(COc1ccccc1Cl)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077472640 542385608 /nfs/dbraw/zinc/38/56/08/542385608.db2.gz YPCQNHVPEUXEOS-GOSISDBHSA-N 1 0 352.862 2.168 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cccc(F)c1 ZINC000022683120 220393824 /nfs/dbraw/zinc/39/38/24/220393824.db2.gz JZBQOEAKNHFYIH-MSOLQXFVSA-N 1 0 356.397 2.326 50 0 FEAARO CC1(C)CC(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC(C)(C)[NH2+]1 ZINC000032103558 220657111 /nfs/dbraw/zinc/65/71/11/220657111.db2.gz FNMCVDIQAUVGMM-UHFFFAOYSA-N 1 0 368.481 2.382 50 0 FEAARO Cc1c2ccccc2nc(SCC(=O)Nc2ccc(C(N)=O)cc2)[n+]1C ZINC000032739641 220674030 /nfs/dbraw/zinc/67/40/30/220674030.db2.gz OYPMKPCCGZRGGY-UHFFFAOYSA-N 1 0 366.446 2.071 50 0 FEAARO Cc1ncc(C[N@H+](C)C[C@H](O)COCc2ccc3c(c2)OCO3)s1 ZINC000048364786 221011214 /nfs/dbraw/zinc/01/12/14/221011214.db2.gz HARLIBVPFPKJFV-AWEZNQCLSA-N 1 0 350.440 2.190 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)cc1 ZINC000055042450 221057760 /nfs/dbraw/zinc/05/77/60/221057760.db2.gz NRDIJZVOYBGAGD-INIZCTEOSA-N 1 0 362.495 2.225 50 0 FEAARO Cc1nc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)nn1C(C)C ZINC000055099792 221059006 /nfs/dbraw/zinc/05/90/06/221059006.db2.gz QFLKZKIMKGQXTB-UHFFFAOYSA-N 1 0 357.462 2.349 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1OC ZINC000058162647 221100924 /nfs/dbraw/zinc/10/09/24/221100924.db2.gz LYKWDUGOPWPVLO-RDTXWAMCSA-N 1 0 370.515 2.493 50 0 FEAARO CCS(=O)(=O)c1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000059923335 221127998 /nfs/dbraw/zinc/12/79/98/221127998.db2.gz NKCHPCVLGABLGA-UHFFFAOYSA-N 1 0 350.484 2.181 50 0 FEAARO O=C(Nc1ccc(Br)cc1)C1CCN([C@H]2CCOC2=O)CC1 ZINC000058227442 221110777 /nfs/dbraw/zinc/11/07/77/221110777.db2.gz FJAHTLIVRXMZSB-AWEZNQCLSA-N 1 0 367.243 2.415 50 0 FEAARO O=C(Cn1c2ccccc2nc1C1CC1)NCCCC[NH+]1CCOCC1 ZINC000058368935 221115433 /nfs/dbraw/zinc/11/54/33/221115433.db2.gz SLHFECYGLJLHMX-UHFFFAOYSA-N 1 0 356.470 2.142 50 0 FEAARO COc1ccc(CCNC(=[NH2+])NCc2ccnc(-n3ccnc3C)c2)cc1 ZINC000058369728 221116099 /nfs/dbraw/zinc/11/60/99/221116099.db2.gz VFEZXNHBIKJOSR-UHFFFAOYSA-N 1 0 364.453 2.441 50 0 FEAARO COc1ccccc1C(=O)NCCNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC000065362485 221202506 /nfs/dbraw/zinc/20/25/06/221202506.db2.gz BWNRCXKXEHDQCQ-UHFFFAOYSA-N 1 0 355.442 2.236 50 0 FEAARO CN(c1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1)S(C)(=O)=O ZINC000065364566 221203427 /nfs/dbraw/zinc/20/34/27/221203427.db2.gz YNXNCECQEICRBW-UHFFFAOYSA-N 1 0 367.515 2.078 50 0 FEAARO C[C@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1)c1cnn(C)c1 ZINC000065463454 221223283 /nfs/dbraw/zinc/22/32/83/221223283.db2.gz RJSIBNLOUZDRIC-ZDUSSCGKSA-N 1 0 362.861 2.452 50 0 FEAARO CC[C@H](O)C1CCN(C(=O)c2cnn3cc(C[NH+](CC)CC)cnc23)CC1 ZINC000067459401 221256260 /nfs/dbraw/zinc/25/62/60/221256260.db2.gz QFFLZNOTUVDBBR-SFHVURJKSA-N 1 0 373.501 2.194 50 0 FEAARO COc1cccc(OCc2nc(C(=O)N(C)C[C@H]3CC[N@H+](C)C3)co2)c1 ZINC000067472981 221255985 /nfs/dbraw/zinc/25/59/85/221255985.db2.gz DELFMSSQKQDFNJ-AWEZNQCLSA-N 1 0 359.426 2.286 50 0 FEAARO CCNc1cc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nc(C)[nH+]1 ZINC000067629415 221263573 /nfs/dbraw/zinc/26/35/73/221263573.db2.gz TUFCJJPPGULFDP-UHFFFAOYSA-N 1 0 361.396 2.457 50 0 FEAARO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000067727043 221278061 /nfs/dbraw/zinc/27/80/61/221278061.db2.gz HPZQSFXCBADPBK-CYBMUJFWSA-N 1 0 372.498 2.433 50 0 FEAARO Cc1ccc2c(c1)c(C[NH2+]C1CCN(C(=O)[C@H]3CCCO3)CC1)nn2C ZINC000067713501 221274577 /nfs/dbraw/zinc/27/45/77/221274577.db2.gz WOWOKAZMAQNEFP-LJQANCHMSA-N 1 0 356.470 2.141 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]CCC(C)C)C2=O)c1 ZINC000067804958 221287921 /nfs/dbraw/zinc/28/79/21/221287921.db2.gz ZGLJYZVFSKQVMA-IBGZPJMESA-N 1 0 352.450 2.324 50 0 FEAARO C[N@H+](Cc1cccc(O)c1)C[C@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067773220 221284369 /nfs/dbraw/zinc/28/43/69/221284369.db2.gz UWSUCMANVCWDQL-JOCHJYFZSA-N 1 0 368.477 2.420 50 0 FEAARO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000067856512 221296671 /nfs/dbraw/zinc/29/66/71/221296671.db2.gz FZBBKZASKPNIRV-INIZCTEOSA-N 1 0 366.469 2.371 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCC3(CCO3)CC2)nc1 ZINC000067869364 221298857 /nfs/dbraw/zinc/29/88/57/221298857.db2.gz IPYQNLKSXSTGEP-SFHVURJKSA-N 1 0 372.513 2.445 50 0 FEAARO Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3C[C@H]([NH3+])CN3C)CC2)c1 ZINC000067934779 221307116 /nfs/dbraw/zinc/30/71/16/221307116.db2.gz LTERVPVUABTTRH-HKUYNNGSSA-N 1 0 367.497 2.123 50 0 FEAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)CCCCc1ccccc1)CC2 ZINC000067935042 221307157 /nfs/dbraw/zinc/30/71/57/221307157.db2.gz MCJVDGQBKIPLKB-UHFFFAOYSA-N 1 0 357.498 2.212 50 0 FEAARO CS(=O)(=O)c1cnc(COc2cccc(F)c2)nc1[C@H]1CCC[NH2+]C1 ZINC000071749483 221361206 /nfs/dbraw/zinc/36/12/06/221361206.db2.gz MANMJLJNOJHJJM-LBPRGKRZSA-N 1 0 365.430 2.065 50 0 FEAARO CC(C)NC(=O)C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071721327 221355913 /nfs/dbraw/zinc/35/59/13/221355913.db2.gz COJNSHGYYJDPOC-SFHVURJKSA-N 1 0 363.477 2.409 50 0 FEAARO Cc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3C)C2)c(C)n1-n1cnnc1 ZINC000071765646 221372893 /nfs/dbraw/zinc/37/28/93/221372893.db2.gz HRHHAVCSOSCREK-FQEVSTJZSA-N 1 0 351.454 2.410 50 0 FEAARO c1cc([C@@H]2C[N@@H+](C3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072121057 221409316 /nfs/dbraw/zinc/40/93/16/221409316.db2.gz XJKKMMBKLONNIM-IOMROCGXSA-N 1 0 356.466 2.456 50 0 FEAARO Cn1nc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)nc1N1CCOCC1 ZINC000072158012 221435660 /nfs/dbraw/zinc/43/56/60/221435660.db2.gz ODFSXWGNQWMCGV-KRWDZBQOSA-N 1 0 371.485 2.099 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1c[nH]cn1 ZINC000082106919 542684736 /nfs/dbraw/zinc/68/47/36/542684736.db2.gz KKYSEUGSOROIBC-HXUWFJFHSA-N 1 0 353.470 2.252 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CC(=O)OC23CCCC3)CC1 ZINC000082156588 542686526 /nfs/dbraw/zinc/68/65/26/542686526.db2.gz FZEXHURSMQMFDC-INIZCTEOSA-N 1 0 357.454 2.305 50 0 FEAARO CNc1nc(N2CCC3(CCC(=O)N(CCCOC)C3)CC2)cc(C)[nH+]1 ZINC000091665719 132202983 /nfs/dbraw/zinc/20/29/83/132202983.db2.gz OVBVLYNWZKHPRJ-UHFFFAOYSA-N 1 0 361.490 2.072 50 0 FEAARO Cc1cnc(C)c(N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091706686 132203418 /nfs/dbraw/zinc/20/34/18/132203418.db2.gz ACWRZMMBNWIZJS-QGZVFWFLSA-N 1 0 357.502 2.007 50 0 FEAARO CNc1nc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc(C)[nH+]1 ZINC000091871691 132204507 /nfs/dbraw/zinc/20/45/07/132204507.db2.gz YWOAZNRNDQCMKU-INIZCTEOSA-N 1 0 373.501 2.215 50 0 FEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2cccnc2)CC1 ZINC000095356510 132207542 /nfs/dbraw/zinc/20/75/42/132207542.db2.gz PJLKRFBTBFUTRK-KRWDZBQOSA-N 1 0 354.454 2.235 50 0 FEAARO CC(C)Nc1cc(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)ncn1 ZINC000095521164 132213948 /nfs/dbraw/zinc/21/39/48/132213948.db2.gz AGCRVJIXDIUUHC-MRXNPFEDSA-N 1 0 357.506 2.439 50 0 FEAARO C[NH+](C)C1CCN(c2ncnc(Oc3ccc4c(c3)OCO4)c2N)CC1 ZINC000096291831 132224721 /nfs/dbraw/zinc/22/47/21/132224721.db2.gz OPSFHDUWYMUSGP-UHFFFAOYSA-N 1 0 357.414 2.110 50 0 FEAARO CCN1CCN(c2ccc(C(=O)N(C)C3CCC([NH3+])CC3)cc2F)CC1 ZINC000236992162 132242929 /nfs/dbraw/zinc/24/29/29/132242929.db2.gz SKOCIWBVCVFSJH-UHFFFAOYSA-N 1 0 362.493 2.310 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000253413335 132377288 /nfs/dbraw/zinc/37/72/88/132377288.db2.gz UNOKPSAHWJNFTC-IPMKNSEASA-N 1 0 371.529 2.416 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 ZINC000091575430 542813383 /nfs/dbraw/zinc/81/33/83/542813383.db2.gz MTMSTSPFIOEETE-INIZCTEOSA-N 1 0 358.442 2.194 50 0 FEAARO C[N@@H+]1CCN(C(=O)OCc2ccccc2Cl)C[C@]12CCNC(=O)CC2 ZINC000091643679 542817372 /nfs/dbraw/zinc/81/73/72/542817372.db2.gz YRDMQHQVBWGREY-SFHVURJKSA-N 1 0 365.861 2.263 50 0 FEAARO COCC[C@]1(CO)CCC[N@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)C1 ZINC000091643932 542817407 /nfs/dbraw/zinc/81/74/07/542817407.db2.gz QQDPAYQRENOUCK-LJQANCHMSA-N 1 0 352.475 2.287 50 0 FEAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)nc(N)n1 ZINC000091657241 542818976 /nfs/dbraw/zinc/81/89/76/542818976.db2.gz FXONCAANCBASOP-DOTOQJQBSA-N 1 0 369.444 2.243 50 0 FEAARO O=C(c1c[nH]nc1-c1ccccc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091695082 542820427 /nfs/dbraw/zinc/82/04/27/542820427.db2.gz CCVIEXACBRUBGM-QZTJIDSGSA-N 1 0 368.481 2.243 50 0 FEAARO CC1(C)C[N@H+](Cc2ccccc2OCCN2CCOCC2)CC[C@]1(C)O ZINC000091746038 542823889 /nfs/dbraw/zinc/82/38/89/542823889.db2.gz QHWYBHHUZUSCAY-NRFANRHFSA-N 1 0 362.514 2.381 50 0 FEAARO CN(CCC[NH+](C)C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091645330 542818000 /nfs/dbraw/zinc/81/80/00/542818000.db2.gz YWHDGLDORILLDC-UHFFFAOYSA-N 1 0 361.398 2.006 50 0 FEAARO CC(=O)N1C[C@H](NC(=O)CC[NH+]2CCCCCC2)[C@@H](c2ccccc2)C1 ZINC000091645553 542818008 /nfs/dbraw/zinc/81/80/08/542818008.db2.gz JFVKTKTXXDOBGZ-UXHICEINSA-N 1 0 357.498 2.383 50 0 FEAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(C(C)=O)c(C)[nH]c1=O)C2 ZINC000091644467 542818023 /nfs/dbraw/zinc/81/80/23/542818023.db2.gz QYQWZSOXAVZDJU-IAGOWNOFSA-N 1 0 371.481 2.389 50 0 FEAARO C[NH2+][C@@H](C(=O)N1CCC2(CC(=O)N(CC(C)C)C2)CC1)c1ccccc1 ZINC000091644452 542818147 /nfs/dbraw/zinc/81/81/47/542818147.db2.gz JBYLZKPQRZWMDO-LJQANCHMSA-N 1 0 357.498 2.444 50 0 FEAARO Cc1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c(=O)[nH]c1C ZINC000091818055 542827017 /nfs/dbraw/zinc/82/70/17/542827017.db2.gz KVGGSUXRDXQASP-UHFFFAOYSA-N 1 0 365.477 2.307 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H]2[NH3+])c1 ZINC000091876914 542829874 /nfs/dbraw/zinc/82/98/74/542829874.db2.gz MFTVDPYZJOQIED-UXHICEINSA-N 1 0 362.433 2.448 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cccn1)CC2 ZINC000091876900 542830621 /nfs/dbraw/zinc/83/06/21/542830621.db2.gz WEKSFTUHHXVSJV-INIZCTEOSA-N 1 0 370.501 2.343 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000091950812 542833360 /nfs/dbraw/zinc/83/33/60/542833360.db2.gz KIOKTNKTMLISTC-SFHVURJKSA-N 1 0 362.481 2.407 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)C1 ZINC000091965750 542834737 /nfs/dbraw/zinc/83/47/37/542834737.db2.gz ATVRYTLJCBHGOZ-DLBZAZTESA-N 1 0 353.470 2.160 50 0 FEAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCSc1ccc3c(c1)OCCO3)C2 ZINC000092027961 542838292 /nfs/dbraw/zinc/83/82/92/542838292.db2.gz FYYTXOGAGVPFNM-LSDHHAIUSA-N 1 0 362.495 2.493 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000092022213 542838433 /nfs/dbraw/zinc/83/84/33/542838433.db2.gz KXLORHXZBKYVHM-UHFFFAOYSA-N 1 0 350.470 2.482 50 0 FEAARO Cc1nccn1CCC[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000092046429 542841453 /nfs/dbraw/zinc/84/14/53/542841453.db2.gz BKKNVSZVUJPWEK-LJQANCHMSA-N 1 0 374.529 2.465 50 0 FEAARO COc1cccc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000092098283 542845752 /nfs/dbraw/zinc/84/57/52/542845752.db2.gz QVPKNJNCJFRQFJ-UHFFFAOYSA-N 1 0 373.497 2.102 50 0 FEAARO CC1(C)CN(C(=O)OCc2ccccc2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000092098395 542846079 /nfs/dbraw/zinc/84/60/79/542846079.db2.gz QZNFHIGQPLVZLZ-HXUWFJFHSA-N 1 0 362.470 2.118 50 0 FEAARO Cc1ccc(F)c2cc(C)c(N3CC[C@@H]([NH+]4CCC(O)CC4)[C@H](O)C3)nc12 ZINC000071752535 136140249 /nfs/dbraw/zinc/14/02/49/136140249.db2.gz SPTRFEDUBGTHII-RTBURBONSA-N 1 0 373.472 2.387 50 0 FEAARO c1cn(C[C@H]2CCCN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)C2)cn1 ZINC000072130644 136142229 /nfs/dbraw/zinc/14/22/29/136142229.db2.gz ZIXUNRHLHPQASY-OAHLLOKOSA-N 1 0 361.453 2.255 50 0 FEAARO CN1C[C@@]2(CCC[N@H+](CCC(=O)N3CCCc4ccccc43)C2)OC1=O ZINC000072148455 136142616 /nfs/dbraw/zinc/14/26/16/136142616.db2.gz CCWJTUCVXAIKCX-HXUWFJFHSA-N 1 0 357.454 2.273 50 0 FEAARO Cn1cnnc1C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)CC1 ZINC000095374152 542963423 /nfs/dbraw/zinc/96/34/23/542963423.db2.gz FGCSGMFYAVEXNU-INIZCTEOSA-N 1 0 357.458 2.026 50 0 FEAARO Cc1ccc(F)c(Cn2ncc(N3CC[NH+](C)CC3)cc2=O)c1Cl ZINC000072167373 136143486 /nfs/dbraw/zinc/14/34/86/136143486.db2.gz JDMFTGVJWNYUMS-UHFFFAOYSA-N 1 0 350.825 2.144 50 0 FEAARO COCC[NH+]1CCN(c2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072174502 136143697 /nfs/dbraw/zinc/14/36/97/136143697.db2.gz KFNLCQQWRLCIAE-UHFFFAOYSA-N 1 0 355.417 2.304 50 0 FEAARO CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)nc1 ZINC000072426699 136146693 /nfs/dbraw/zinc/14/66/93/136146693.db2.gz BQNLCPLKIHKRRT-HXUWFJFHSA-N 1 0 358.486 2.055 50 0 FEAARO C[N@@H+]1CCN(C(=O)c2csc3c2CCCC3)C[C@@]12CCNC(=O)CC2 ZINC000095374969 542963954 /nfs/dbraw/zinc/96/39/54/542963954.db2.gz HQBADTTYTQRLPM-LJQANCHMSA-N 1 0 361.511 2.053 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCCc3nccs3)CC2)c1 ZINC000073199526 136149925 /nfs/dbraw/zinc/14/99/25/136149925.db2.gz UDJYIWZUKDUJFP-UHFFFAOYSA-N 1 0 358.511 2.323 50 0 FEAARO CCCn1ncc(-c2ccnc(N3CC[NH+](C[C@H]4CCCO4)CC3)n2)c1C ZINC000019219076 136152264 /nfs/dbraw/zinc/15/22/64/136152264.db2.gz CXSAFMOHLOFLQH-QGZVFWFLSA-N 1 0 370.501 2.360 50 0 FEAARO O=C(c1ccc(=O)[nH]c1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357007 542958317 /nfs/dbraw/zinc/95/83/17/542958317.db2.gz KDGVLQAYHIVUDC-DFQSSKMNSA-N 1 0 367.424 2.216 50 0 FEAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000095360405 542959985 /nfs/dbraw/zinc/95/99/85/542959985.db2.gz FKMRMSFZWRSYFU-CRAIPNDOSA-N 1 0 351.878 2.280 50 0 FEAARO O=C(N1CC(O)C1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000095378611 542964557 /nfs/dbraw/zinc/96/45/57/542964557.db2.gz SBKSVTYZULXEPA-UHFFFAOYSA-N 1 0 350.462 2.424 50 0 FEAARO CCC1=NO[C@H](C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)C1 ZINC000095389302 542968129 /nfs/dbraw/zinc/96/81/29/542968129.db2.gz RCYHOBWEWSCFPU-KRWDZBQOSA-N 1 0 361.490 2.096 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2nccs2)CC1 ZINC000095520058 542978761 /nfs/dbraw/zinc/97/87/61/542978761.db2.gz GEDWQZMEEAULIQ-OAHLLOKOSA-N 1 0 360.483 2.297 50 0 FEAARO Cn1ccc2ccc(C(=O)N3CCN(C[C@H]4CCC[N@H+](C)C4)CC3)cc21 ZINC000095498439 542973997 /nfs/dbraw/zinc/97/39/97/542973997.db2.gz HBRITJMMOFWKMA-KRWDZBQOSA-N 1 0 354.498 2.278 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000095499379 542974102 /nfs/dbraw/zinc/97/41/02/542974102.db2.gz BAENPHYPWFERAA-IBGZPJMESA-N 1 0 370.497 2.347 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)c3cnc(N(C)C)nc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095502767 542974954 /nfs/dbraw/zinc/97/49/54/542974954.db2.gz QNFWCFNAJHIWTE-RBUKOAKNSA-N 1 0 367.497 2.329 50 0 FEAARO C[NH+]1CCC2(CC(=O)N(CC(=O)N3CC[C@H](c4ccc(F)cc4)C3)C2)CC1 ZINC000095504371 542975592 /nfs/dbraw/zinc/97/55/92/542975592.db2.gz QDQHOYXBSUDYNI-KRWDZBQOSA-N 1 0 373.472 2.086 50 0 FEAARO Cn1cnnc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095516357 542977670 /nfs/dbraw/zinc/97/76/70/542977670.db2.gz PWDLGCVUDWLTLF-LJQANCHMSA-N 1 0 361.534 2.451 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000095517022 542977754 /nfs/dbraw/zinc/97/77/54/542977754.db2.gz QYSZUMFAQOSLKG-QGZVFWFLSA-N 1 0 360.502 2.248 50 0 FEAARO CCC(=O)NCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095520317 542979127 /nfs/dbraw/zinc/97/91/27/542979127.db2.gz VIQWYMVZIAEUST-RBUKOAKNSA-N 1 0 357.498 2.068 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)CN(C)Cc3cccnc3)C[C@H]2[NH+](C)C)cc1 ZINC000095526618 542980874 /nfs/dbraw/zinc/98/08/74/542980874.db2.gz ZTVSMZZMXQMHKN-LEWJYISDSA-N 1 0 366.509 2.378 50 0 FEAARO Cc1cc(=O)[nH]c(CC[NH2+]C2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000095526086 542981175 /nfs/dbraw/zinc/98/11/75/542981175.db2.gz IGAMJDVZBKVXNC-UHFFFAOYSA-N 1 0 369.494 2.489 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccccn1)CC2 ZINC000095527375 542982138 /nfs/dbraw/zinc/98/21/38/542982138.db2.gz ORHKEHKTOQRCAG-UHFFFAOYSA-N 1 0 353.470 2.450 50 0 FEAARO CN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000125503007 543885716 /nfs/dbraw/zinc/88/57/16/543885716.db2.gz CPWOBBHQZOXOSE-UHFFFAOYSA-N 1 0 359.857 2.374 50 0 FEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000126127648 543919536 /nfs/dbraw/zinc/91/95/36/543919536.db2.gz AHNNPGYDKTTZQM-HNNXBMFYSA-N 1 0 350.422 2.347 50 0 FEAARO CCN(C)C(=O)c1ccc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000091459898 221759619 /nfs/dbraw/zinc/75/96/19/221759619.db2.gz PDKXBRSPZCPMBF-RTBURBONSA-N 1 0 374.529 2.094 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)CCCc2nc(-c3ccncc3)no2)C[C@H]1[NH+](C)C ZINC000095370976 221873125 /nfs/dbraw/zinc/87/31/25/221873125.db2.gz FTMRBIFGJHTRBL-DLBZAZTESA-N 1 0 371.485 2.499 50 0 FEAARO COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000096151197 222053663 /nfs/dbraw/zinc/05/36/63/222053663.db2.gz MAXNXKCDMYGUSX-CQSZACIVSA-N 1 0 352.866 2.202 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccncc2)C[N@@H+]1C1CCCC1 ZINC000096162233 222062039 /nfs/dbraw/zinc/06/20/39/222062039.db2.gz KAHVZUZOQCALML-AEFFLSMTSA-N 1 0 358.486 2.065 50 0 FEAARO CC(C)=CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CCOC1)CC2 ZINC000097546502 222190121 /nfs/dbraw/zinc/19/01/21/222190121.db2.gz QJYAKQOLLSNOBM-INIZCTEOSA-N 1 0 358.486 2.088 50 0 FEAARO CSCCc1nc([C@@H]2CC[NH2+]C2)n(-c2cc(=O)n(C)c3ccccc23)n1 ZINC000097334270 222176186 /nfs/dbraw/zinc/17/61/86/222176186.db2.gz TUOXTGBCEWAXHG-CYBMUJFWSA-N 1 0 369.494 2.102 50 0 FEAARO CN(C(=O)c1cc(=O)nc2sccn21)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097425719 222179951 /nfs/dbraw/zinc/17/99/51/222179951.db2.gz QXEMZAZBXRRUDO-HNNXBMFYSA-N 1 0 356.451 2.131 50 0 FEAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)o1 ZINC000097527270 222187807 /nfs/dbraw/zinc/18/78/07/222187807.db2.gz DHNHXKUQOPLNAL-INIZCTEOSA-N 1 0 369.531 2.430 50 0 FEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CCn2nc(Cc3ccccc3)cc2C1 ZINC000097698630 222206791 /nfs/dbraw/zinc/20/67/91/222206791.db2.gz KGVFFCAWPMCUCD-MJGOQNOKSA-N 1 0 350.466 2.300 50 0 FEAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000097729561 222207193 /nfs/dbraw/zinc/20/71/93/222207193.db2.gz DOEIIUGDNUJVNX-SFHVURJKSA-N 1 0 372.513 2.201 50 0 FEAARO CCCn1c2ccccc2nc1-n1nc(C)nc1CN1CCC[N@H+](C)CC1 ZINC000097766583 222211865 /nfs/dbraw/zinc/21/18/65/222211865.db2.gz FKCGZVAWKSUHFJ-UHFFFAOYSA-N 1 0 367.501 2.473 50 0 FEAARO C[NH+]1CCN(CCCn2cnc3c4cc(Cl)ccc4[nH]c3c2=O)CC1 ZINC000020438349 263380282 /nfs/dbraw/zinc/38/02/82/263380282.db2.gz WULNHBSMNSPEPB-UHFFFAOYSA-N 1 0 359.861 2.169 50 0 FEAARO O=C(NC[C@@]1(O)CCC[NH2+]C1)Nc1ccccc1CCc1ccccn1 ZINC000426628668 263646469 /nfs/dbraw/zinc/64/64/69/263646469.db2.gz AVTVZKCVUZMPRU-HXUWFJFHSA-N 1 0 354.454 2.103 50 0 FEAARO COC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000190918658 328240040 /nfs/dbraw/zinc/24/00/40/328240040.db2.gz MWWOZLHDVUSVIU-JFRXWTBNSA-N 1 0 361.486 2.095 50 0 FEAARO COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000261917812 328829158 /nfs/dbraw/zinc/82/91/58/328829158.db2.gz IHGJQBVEAYPDFS-HXUWFJFHSA-N 1 0 365.477 2.170 50 0 FEAARO Cc1ccc(CN(C)CC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000299793493 533873430 /nfs/dbraw/zinc/87/34/30/533873430.db2.gz HRXSHMYJOICAOR-FQEVSTJZSA-N 1 0 359.514 2.186 50 0 FEAARO COc1ccccc1-c1cccc(C(=O)N2CCN3CC[N@H+](C)C[C@H]3C2)c1 ZINC000299782253 533915215 /nfs/dbraw/zinc/91/52/15/533915215.db2.gz MKQOFWADMFUMTD-IBGZPJMESA-N 1 0 365.477 2.434 50 0 FEAARO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(=O)N1CCOCC1 ZINC000249473497 518851261 /nfs/dbraw/zinc/85/12/61/518851261.db2.gz UYQJKALCLDORRH-ZACQAIPSSA-N 1 0 366.502 2.210 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000091656146 519685102 /nfs/dbraw/zinc/68/51/02/519685102.db2.gz GLLKFPGJAIVIAB-AWEZNQCLSA-N 1 0 352.862 2.429 50 0 FEAARO CCOc1c(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cccc1OC ZINC000019871829 520593491 /nfs/dbraw/zinc/59/34/91/520593491.db2.gz RVVIEJGRPAPAGT-UHFFFAOYSA-N 1 0 364.467 2.074 50 0 FEAARO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)C1 ZINC000248321235 521288590 /nfs/dbraw/zinc/28/85/90/521288590.db2.gz UMIWLDKSHOALRQ-OALUTQOASA-N 1 0 358.482 2.495 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)CCc2cccnc2)CC1 ZINC000091460260 521822210 /nfs/dbraw/zinc/82/22/10/521822210.db2.gz FMNCPYSUTRCGIS-UHFFFAOYSA-N 1 0 355.486 2.179 50 0 FEAARO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000089313991 522046804 /nfs/dbraw/zinc/04/68/04/522046804.db2.gz XOSMGDBXDMIMDM-JKSUJKDBSA-N 1 0 359.470 2.181 50 0 FEAARO Cc1nc2c(c(=O)[nH]1)CN(C(=O)C[NH+]1CCC(c3ccccc3)CC1)C2 ZINC000299785526 534625483 /nfs/dbraw/zinc/62/54/83/534625483.db2.gz UAQBDDTWOKUZNZ-UHFFFAOYSA-N 1 0 352.438 2.212 50 0 FEAARO CCc1c(C)scc1C(=O)N[C@H]1C[N@H+](CCC(N)=O)C[C@@H]1C(C)C ZINC000091636016 523719959 /nfs/dbraw/zinc/71/99/59/523719959.db2.gz HPSBEEXSGRLZOX-ZBFHGGJFSA-N 1 0 351.516 2.181 50 0 FEAARO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000179104633 523964907 /nfs/dbraw/zinc/96/49/07/523964907.db2.gz ABKNLQJKKWMCQE-GFCCVEGCSA-N 1 0 367.222 2.208 50 0 FEAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1C[C@H]1COc2ccccc2O1 ZINC000299781498 534774216 /nfs/dbraw/zinc/77/42/16/534774216.db2.gz DTVLLQGIOICKPY-ROUUACIJSA-N 1 0 367.449 2.392 50 0 FEAARO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020405146 524968857 /nfs/dbraw/zinc/96/88/57/524968857.db2.gz GPYUYKZFZAWJDL-SFHVURJKSA-N 1 0 360.429 2.396 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000237409871 525017486 /nfs/dbraw/zinc/01/74/86/525017486.db2.gz GEGXJXFHOJBJDR-WOCWXWTJSA-N 1 0 359.514 2.430 50 0 FEAARO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000158188306 525543561 /nfs/dbraw/zinc/54/35/61/525543561.db2.gz QCIILCDZVDWVIX-NWDGAFQWSA-N 1 0 363.405 2.161 50 0 FEAARO Cc1ccnc(C[C@H](C)N(C)C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c1 ZINC000244673918 525659783 /nfs/dbraw/zinc/65/97/83/525659783.db2.gz HYAGFESBYBEGNV-YQQAZPJKSA-N 1 0 356.474 2.127 50 0 FEAARO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000178544755 525925379 /nfs/dbraw/zinc/92/53/79/525925379.db2.gz ALITWMIWUGJBFB-GFCCVEGCSA-N 1 0 363.259 2.364 50 0 FEAARO C[C@@H](c1ccon1)N(C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000216507145 526154489 /nfs/dbraw/zinc/15/44/89/526154489.db2.gz OUZJROYJCZIFLX-KRWDZBQOSA-N 1 0 358.486 2.494 50 0 FEAARO Fc1cccc(Cc2noc(CN3CCC([NH+]4CCOCC4)CC3)n2)c1 ZINC000020455034 526390523 /nfs/dbraw/zinc/39/05/23/526390523.db2.gz KCSKKGJFJUHGJV-UHFFFAOYSA-N 1 0 360.433 2.096 50 0 FEAARO O=C(COC[C@H]1CCCO1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082121882 526935438 /nfs/dbraw/zinc/93/54/38/526935438.db2.gz RPAYKJURHAFHIK-HXUWFJFHSA-N 1 0 360.498 2.349 50 0 FEAARO CC(C)(CN1CCOCC1)NC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299800303 527086003 /nfs/dbraw/zinc/08/60/03/527086003.db2.gz WNUMCFFHNIPSKW-ZCNNSNEGSA-N 1 0 371.525 2.439 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)C1 ZINC000178543316 527217803 /nfs/dbraw/zinc/21/78/03/527217803.db2.gz AWCLOFZGQOOSCR-VIFPVBQESA-N 1 0 373.766 2.360 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000157769239 527346944 /nfs/dbraw/zinc/34/69/44/527346944.db2.gz SJZPRAHQWTZHBP-MRXNPFEDSA-N 1 0 358.463 2.224 50 0 FEAARO CC[NH+]1CCC(CNC(=O)CCN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000057000631 535452483 /nfs/dbraw/zinc/45/24/83/535452483.db2.gz PWIOENDPZBBPIW-HNNXBMFYSA-N 1 0 359.470 2.039 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCOC(C)(C)C2)nc1 ZINC000067803828 536357399 /nfs/dbraw/zinc/35/73/99/536357399.db2.gz JRAAGAHYRSNOJN-KRWDZBQOSA-N 1 0 360.502 2.301 50 0 FEAARO C[NH+](C)C[C@H]1CN(C(=O)COc2ccc(F)cc2)CC12CCOCC2 ZINC000169793289 546161485 /nfs/dbraw/zinc/16/14/85/546161485.db2.gz WBAQWKVIWGNPKB-HNNXBMFYSA-N 1 0 350.434 2.021 50 0 FEAARO O=C(NCc1noc(-c2cccc(F)c2)n1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000170600619 546163201 /nfs/dbraw/zinc/16/32/01/546163201.db2.gz KVOYAUKXMNZKKL-MRXNPFEDSA-N 1 0 374.416 2.135 50 0 FEAARO Cc1ccc(-n2nc(Br)cc2C(=O)N(C)CCC[NH3+])cc1 ZINC000170677125 546169737 /nfs/dbraw/zinc/16/97/37/546169737.db2.gz KCSQDEFTJNTECV-UHFFFAOYSA-N 1 0 351.248 2.364 50 0 FEAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCn3c(nnc3-c3ccccc3)C2)C1 ZINC000175554409 546312604 /nfs/dbraw/zinc/31/26/04/546312604.db2.gz SVUZYTREHIHCCG-INIZCTEOSA-N 1 0 368.485 2.202 50 0 FEAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cn4cccnc4n3)C[C@@H]21 ZINC000186036855 548075694 /nfs/dbraw/zinc/07/56/94/548075694.db2.gz TYWDASLHSNUNKK-CWRNSKLLSA-N 1 0 357.458 2.464 50 0 FEAARO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[NH2+]1 ZINC000188404815 548279593 /nfs/dbraw/zinc/27/95/93/548279593.db2.gz OCXKZVKTFNYKHA-SECBINFHSA-N 1 0 350.216 2.137 50 0 FEAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2cnc3onc(C(C)C)c3c2)CC1 ZINC000192555607 548366233 /nfs/dbraw/zinc/36/62/33/548366233.db2.gz NNIOVTPKYCJWDO-CQSZACIVSA-N 1 0 359.474 2.102 50 0 FEAARO Cn1cc([C@H]2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000194442167 548482337 /nfs/dbraw/zinc/48/23/37/548482337.db2.gz IMZADKMODBUKTB-MOPGFXCFSA-N 1 0 367.497 2.441 50 0 FEAARO COc1ccc(CN2Cc3nc(C)n(C)c(=O)c3C2)cc1C[NH+]1CCCC1 ZINC000215542451 548673864 /nfs/dbraw/zinc/67/38/64/548673864.db2.gz KFJXVGIOOXNMKY-UHFFFAOYSA-N 1 0 368.481 2.209 50 0 FEAARO Cc1ccccc1[C@H](CNC(=O)c1ccc(-c2nnn(C)n2)cc1)[NH+](C)C ZINC000216187305 548676125 /nfs/dbraw/zinc/67/61/25/548676125.db2.gz JISQWJIIAUMFNI-SFHVURJKSA-N 1 0 364.453 2.218 50 0 FEAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCS(=O)(=O)NCC2CCC2)C1 ZINC000221856070 548706042 /nfs/dbraw/zinc/70/60/42/548706042.db2.gz QCOJSBSMRFKYGL-QFBILLFUSA-N 1 0 365.543 2.131 50 0 FEAARO CC(=O)N1CCCC[C@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000222322519 548706479 /nfs/dbraw/zinc/70/64/79/548706479.db2.gz VLMMHVRYGSTASN-IBGZPJMESA-N 1 0 357.498 2.167 50 0 FEAARO CCO[C@@H]1C[C@](O)(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1(C)C ZINC000225603052 548739195 /nfs/dbraw/zinc/73/91/95/548739195.db2.gz BVUITQWKHSYCTG-ZVGUJKQYSA-N 1 0 374.481 2.217 50 0 FEAARO O=C(CCn1cnc2ccccc2c1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230207648 548758904 /nfs/dbraw/zinc/75/89/04/548758904.db2.gz BROSYYDBLSXQBO-APWZRJJASA-N 1 0 368.481 2.167 50 0 FEAARO CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236999464 548793952 /nfs/dbraw/zinc/79/39/52/548793952.db2.gz IQMBJGDHZWFTAG-ZDUSSCGKSA-N 1 0 367.457 2.063 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237238492 548811483 /nfs/dbraw/zinc/81/14/83/548811483.db2.gz CTNYBYWXSRLKHT-MJBXVCDLSA-N 1 0 374.403 2.421 50 0 FEAARO Cc1cc(CN(C)C(=O)[C@@H]2C[NH2+]CCO2)cc(C)c1OCC(F)(F)F ZINC000237250147 548812633 /nfs/dbraw/zinc/81/26/33/548812633.db2.gz FJKKQEPECZTXIW-AWEZNQCLSA-N 1 0 360.376 2.191 50 0 FEAARO COc1cc(Cl)c(S(=O)(=O)N(C)C2CC[NH2+]CC2)cc1Cl ZINC000237295001 548815860 /nfs/dbraw/zinc/81/58/60/548815860.db2.gz NZONNBUFGTYFRA-UHFFFAOYSA-N 1 0 353.271 2.375 50 0 FEAARO CN1C[C@@]2(CCC[N@H+](CCC(=O)Nc3cc(F)ccc3F)C2)OC1=O ZINC000244723619 548893566 /nfs/dbraw/zinc/89/35/66/548893566.db2.gz MEPCPKRCXQZQCY-QGZVFWFLSA-N 1 0 353.369 2.210 50 0 FEAARO [NH3+][C@H]1C[C@H](c2cc(NC3CCN(C(=O)c4ccccc4)CC3)ncn2)C1 ZINC000244795522 548896287 /nfs/dbraw/zinc/89/62/87/548896287.db2.gz RHXFCUUYBZNHTO-WKILWMFISA-N 1 0 351.454 2.398 50 0 FEAARO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(OC(C)C)c1 ZINC000252489645 549669054 /nfs/dbraw/zinc/66/90/54/549669054.db2.gz JVIAZGPEEIIYHH-HNNXBMFYSA-N 1 0 350.459 2.059 50 0 FEAARO COc1cccc(N2CCN(C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000252510562 549670587 /nfs/dbraw/zinc/67/05/87/549670587.db2.gz ZNSBQXNPMGDSNE-OAQYLSRUSA-N 1 0 359.514 2.461 50 0 FEAARO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000252570856 549674908 /nfs/dbraw/zinc/67/49/08/549674908.db2.gz XLAXANMYUMRDGA-KFKAGJAMSA-N 1 0 364.461 2.351 50 0 FEAARO COC(=O)c1cn(-c2ccc3c(c2)CN2CCCC2=[NH+]3)cc2c(=O)[nH]nc1-2 ZINC000253414046 549687575 /nfs/dbraw/zinc/68/75/75/549687575.db2.gz WHYMCGFTOOADEQ-UHFFFAOYSA-N 1 0 363.377 2.091 50 0 FEAARO CC[C@H]1c2nccn2CCCN1C(=O)c1noc(C)c1Cn1cccn1 ZINC000257182187 549712665 /nfs/dbraw/zinc/71/26/65/549712665.db2.gz GGNLUFZDHAMHPI-HNNXBMFYSA-N 1 0 354.414 2.422 50 0 FEAARO CC[N@@H+]1CC2(C[C@H]1c1nnc(C)o1)CCN(C(=O)c1cccnc1)CC2 ZINC000257190078 549714294 /nfs/dbraw/zinc/71/42/94/549714294.db2.gz LDDGZGCQHJKFDB-INIZCTEOSA-N 1 0 355.442 2.462 50 0 FEAARO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2n[nH]nc2C1 ZINC000291850317 552668092 /nfs/dbraw/zinc/66/80/92/552668092.db2.gz DNJXPIRTFDWXFC-QZTJIDSGSA-N 1 0 367.497 2.328 50 0 FEAARO CC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2nc3cc(OC)ccc3[nH]2)C1 ZINC000426485992 559735462 /nfs/dbraw/zinc/73/54/62/559735462.db2.gz DPYATMRDLQIHOG-AWEZNQCLSA-N 1 0 359.474 2.097 50 0 FEAARO [NH3+]CC[C@H]1CN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CCO1 ZINC000426487822 559735588 /nfs/dbraw/zinc/73/55/88/559735588.db2.gz BYQQBHDFXSFQHJ-INIZCTEOSA-N 1 0 350.422 2.420 50 0 FEAARO Cn1c(CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)nc2ccccc21 ZINC000426509865 559736375 /nfs/dbraw/zinc/73/63/75/559736375.db2.gz CDXBGOVJYJDUCU-MRXNPFEDSA-N 1 0 355.486 2.386 50 0 FEAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3ccccc3Cn3cccn3)C2)n1 ZINC000426578886 559738189 /nfs/dbraw/zinc/73/81/89/559738189.db2.gz WXXBKMLRYJOTKN-FQEVSTJZSA-N 1 0 365.481 2.500 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000426597157 559738577 /nfs/dbraw/zinc/73/85/77/559738577.db2.gz BXIBNNVCCOMKHV-QGZVFWFLSA-N 1 0 373.428 2.380 50 0 FEAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](CCC(=O)NC4CC4)C3)C2=O)c1 ZINC000426661247 559739742 /nfs/dbraw/zinc/73/97/42/559739742.db2.gz MLVVWUZTOMQBKM-QFIPXVFZSA-N 1 0 369.509 2.478 50 0 FEAARO C[N@@H+]1CCOC[C@@H](CNC(=O)c2ccc(-c3ccccc3CO)cc2)C1 ZINC000426698442 559740379 /nfs/dbraw/zinc/74/03/79/559740379.db2.gz OHSYNJIKAYQAGL-INIZCTEOSA-N 1 0 354.450 2.154 50 0 FEAARO C[N@@H+]1CCOC[C@H](CNC(=O)c2ccc(-c3ccccc3CO)cc2)C1 ZINC000426698443 559740389 /nfs/dbraw/zinc/74/03/89/559740389.db2.gz OHSYNJIKAYQAGL-MRXNPFEDSA-N 1 0 354.450 2.154 50 0 FEAARO Cc1cc2nc(CN(C)C(=O)NCCC[N@@H+]3CCC[C@@H](O)C3)[nH]c2cc1C ZINC000426734049 559741153 /nfs/dbraw/zinc/74/11/53/559741153.db2.gz POYGSMCAVSBUMO-MRXNPFEDSA-N 1 0 373.501 2.168 50 0 FEAARO C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659015 562299267 /nfs/dbraw/zinc/29/92/67/562299267.db2.gz NFVJKXBNAVGUBS-NQYYFHDYSA-N 1 0 371.529 2.306 50 0 FEAARO C[C@@H](CCNC(=O)N1CCC(Cc2cccnc2)CC1)[NH+]1CCN(C)CC1 ZINC000534592755 562537700 /nfs/dbraw/zinc/53/77/00/562537700.db2.gz JMIFDYPTWDIDHY-SFHVURJKSA-N 1 0 373.545 2.072 50 0 FEAARO CC[C@@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CC[NH+](C)CC1 ZINC000534662709 562539536 /nfs/dbraw/zinc/53/95/36/562539536.db2.gz JGJYMVMUAZVNGC-IBGZPJMESA-N 1 0 374.529 2.307 50 0 FEAARO Cc1ncc(C(=O)NCC[C@@H](C)[NH+]2CCN(C)CC2)c(-c2ccccc2)n1 ZINC000216016784 568100952 /nfs/dbraw/zinc/10/09/52/568100952.db2.gz KWVOGTZPSYNSAR-MRXNPFEDSA-N 1 0 367.497 2.208 50 0 FEAARO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCCC1CC[NH+](C)CC1)C2 ZINC000075877408 570620302 /nfs/dbraw/zinc/62/03/02/570620302.db2.gz PAPNLPATGBSGKD-QGZVFWFLSA-N 1 0 373.545 2.276 50 0 FEAARO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000329831026 570626093 /nfs/dbraw/zinc/62/60/93/570626093.db2.gz JYSVLBPGFWJRCY-OAHLLOKOSA-N 1 0 351.447 2.479 50 0 FEAARO Cc1cccc(C[NH+]2CCN(CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)c1 ZINC000102843289 570840194 /nfs/dbraw/zinc/84/01/94/570840194.db2.gz HPBSPOJSBVHGDO-KDURUIRLSA-N 1 0 353.466 2.021 50 0 FEAARO C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000047028193 570878752 /nfs/dbraw/zinc/87/87/52/570878752.db2.gz AYIKTQMDPWQHCC-OAHLLOKOSA-N 1 0 374.464 2.374 50 0 FEAARO CC(C)OCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000047769221 570930461 /nfs/dbraw/zinc/93/04/61/570930461.db2.gz ACQFNTUMMBVCBH-INIZCTEOSA-N 1 0 367.534 2.077 50 0 FEAARO O=S(=O)(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000670470880 571043116 /nfs/dbraw/zinc/04/31/16/571043116.db2.gz CQJOPDUUNXWSLW-IBGZPJMESA-N 1 0 374.506 2.479 50 0 FEAARO Cc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)n1 ZINC000039490452 571089387 /nfs/dbraw/zinc/08/93/87/571089387.db2.gz ZRKWMSDHGHBICQ-OAQYLSRUSA-N 1 0 360.546 2.131 50 0 FEAARO C[C@@H](NC(=O)c1cnc(C2CC[NH2+]CC2)[nH]1)c1nc2ccccc2n1C ZINC000685941582 571101493 /nfs/dbraw/zinc/10/14/93/571101493.db2.gz DKFLXLVUCLBINX-GFCCVEGCSA-N 1 0 352.442 2.254 50 0 FEAARO Cc1ccc(CCN2C[C@@H](C(=O)NCC[NH+]3CCCCCC3)CC2=O)cc1 ZINC000004115505 571145620 /nfs/dbraw/zinc/14/56/20/571145620.db2.gz IXDYANAKPITBKV-FQEVSTJZSA-N 1 0 371.525 2.378 50 0 FEAARO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000585139996 571231984 /nfs/dbraw/zinc/23/19/84/571231984.db2.gz CGJMRDZAJMSKLG-FGTMMUONSA-N 1 0 363.502 2.215 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1CCN(C)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000584886739 571313899 /nfs/dbraw/zinc/31/38/99/571313899.db2.gz ZTAJIHRYCRKROH-MRXNPFEDSA-N 1 0 360.502 2.404 50 0 FEAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000584887135 571314068 /nfs/dbraw/zinc/31/40/68/571314068.db2.gz JEQPKUSCJWMAMN-QGZVFWFLSA-N 1 0 360.477 2.137 50 0 FEAARO COc1ccccc1CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000584893408 571314907 /nfs/dbraw/zinc/31/49/07/571314907.db2.gz LTWSUNLNQZYXQY-LJQANCHMSA-N 1 0 374.529 2.395 50 0 FEAARO Cc1cccc(CN2CCN(C(=O)NCC[C@H](C)[NH+]3CCCC3)CC2=O)c1 ZINC000584893938 571315124 /nfs/dbraw/zinc/31/51/24/571315124.db2.gz HXSPENQDPROMDN-SFHVURJKSA-N 1 0 372.513 2.223 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccccc2F)C3)CC1 ZINC000015779415 571351692 /nfs/dbraw/zinc/35/16/92/571351692.db2.gz YACYDMABUCMDIK-UHFFFAOYSA-N 1 0 355.461 2.316 50 0 FEAARO CN(CCCSc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000670450053 571352394 /nfs/dbraw/zinc/35/23/94/571352394.db2.gz QVHPDTQGXOUJDV-MRXNPFEDSA-N 1 0 350.532 2.056 50 0 FEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652384805 677485769 /nfs/dbraw/zinc/48/57/69/677485769.db2.gz ODCAAKIRQZNYJS-FVQBIDKESA-N 1 0 356.463 2.184 50 0 FEAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)C[NH+]1CCCCCC1 ZINC000004062189 539375263 /nfs/dbraw/zinc/37/52/63/539375263.db2.gz FKZBLEDLBOMWSA-IBGZPJMESA-N 1 0 369.465 2.470 50 0 biogenic FEAARO COC(=O)c1ccc(-c2ccc(C[NH2+]CCSc3nnnn3C)o2)cc1 ZINC000004488466 539385522 /nfs/dbraw/zinc/38/55/22/539385522.db2.gz HZPBVJSFUQNZAL-UHFFFAOYSA-N 1 0 373.438 2.139 50 0 FEAARO CCOC(=O)N1CCC([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000004498176 539386315 /nfs/dbraw/zinc/38/63/15/539386315.db2.gz IPVPLIZVICKGIL-UHFFFAOYSA-N 1 0 353.850 2.280 50 0 FEAARO Cc1cc(C)cc(NC(=O)CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000004741251 539391177 /nfs/dbraw/zinc/39/11/77/539391177.db2.gz KOBWRMNDBQGJRY-UHFFFAOYSA-N 1 0 372.513 2.048 50 0 FEAARO CCOc1ccc(C[N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)cc1OC ZINC000006939295 539441997 /nfs/dbraw/zinc/44/19/97/539441997.db2.gz BKQWMVSPNUAXKC-IRXDYDNUSA-N 1 0 353.459 2.082 50 0 FEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]Cc3ccncc3C)C2=O)c1 ZINC000011667249 539532122 /nfs/dbraw/zinc/53/21/22/539532122.db2.gz OSIQDBCIQXNSFP-OAQYLSRUSA-N 1 0 353.466 2.342 50 0 FEAARO C[NH+](C)C1(C(=O)NCC[C@H]2COc3ccccc3O2)Cc2ccccc2C1 ZINC000011842228 539536464 /nfs/dbraw/zinc/53/64/64/539536464.db2.gz BIOMCUFRFOTIKK-SFHVURJKSA-N 1 0 366.461 2.432 50 0 FEAARO O[C@H]1CCC[N@@H+](C2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)C1 ZINC000011873202 539536961 /nfs/dbraw/zinc/53/69/61/539536961.db2.gz FGWNHMUVOHIJQK-KRWDZBQOSA-N 1 0 374.460 2.221 50 0 FEAARO COc1ccc(CCN2C[C@H]([NH2+]C3CSCCSC3)CC2=O)cc1 ZINC000011843903 539537606 /nfs/dbraw/zinc/53/76/06/539537606.db2.gz ZTNZNTFBOOTXSP-OAHLLOKOSA-N 1 0 366.552 2.277 50 0 FEAARO Cc1nn(C)cc1C[N@H+](C)C[C@@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000011934803 539539376 /nfs/dbraw/zinc/53/93/76/539539376.db2.gz PRDXFWKLRYIVQX-NRFANRHFSA-N 1 0 370.497 2.022 50 0 FEAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000012308348 539554436 /nfs/dbraw/zinc/55/44/36/539554436.db2.gz LXEIUEQKIRELLK-SFHVURJKSA-N 1 0 359.495 2.409 50 0 FEAARO O=C(c1coc(COc2cccc(F)c2F)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012429791 539559398 /nfs/dbraw/zinc/55/93/98/539559398.db2.gz AFEXLKTXMKXHBX-GFCCVEGCSA-N 1 0 363.364 2.452 50 0 FEAARO [NH3+]C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000020432475 539674926 /nfs/dbraw/zinc/67/49/26/539674926.db2.gz ZJYDTSIEALHMFB-UHFFFAOYSA-N 1 0 353.669 2.214 50 0 FEAARO Cc1cnc(NCC[N@@H+]2CC[C@H](c3ccccc3)C2)nc1-c1ncnn1C ZINC000023310842 539711649 /nfs/dbraw/zinc/71/16/49/539711649.db2.gz ROPBMFWJIHOIRZ-KRWDZBQOSA-N 1 0 363.469 2.482 50 0 FEAARO OCCOc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000023360938 539712418 /nfs/dbraw/zinc/71/24/18/539712418.db2.gz QKFNEABTSLDDIZ-FQEVSTJZSA-N 1 0 362.514 2.259 50 0 FEAARO CN1CC[NH+]([C@@H]2CCN(Cc3ccc(OC4CCCC4)cc3)C[C@H]2O)CC1 ZINC000023359895 539712558 /nfs/dbraw/zinc/71/25/58/539712558.db2.gz ICGKADKBGPDUIC-FGZHOGPDSA-N 1 0 373.541 2.191 50 0 FEAARO CC(C)Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)C[C@@H]3COCCO3)c2)n1 ZINC000023619445 539717514 /nfs/dbraw/zinc/71/75/14/539717514.db2.gz IIQGHDJIMKXRTD-LJQANCHMSA-N 1 0 371.481 2.483 50 0 FEAARO O[C@@H](C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000024097434 539726187 /nfs/dbraw/zinc/72/61/87/539726187.db2.gz DYPAECYSEUIZBH-IBGZPJMESA-N 1 0 354.450 2.309 50 0 FEAARO CCc1cc(N2CCc3[nH]nc(-c4cc(C)on4)c3C2)nc(N(C)C)[nH+]1 ZINC000032576631 539943269 /nfs/dbraw/zinc/94/32/69/539943269.db2.gz CIPUZUFWCUPTAN-UHFFFAOYSA-N 1 0 353.430 2.354 50 0 FEAARO COC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000225427236 222840609 /nfs/dbraw/zinc/84/06/09/222840609.db2.gz DEFFUAVTWAKYPQ-UHFFFAOYSA-N 1 0 367.471 2.019 50 0 FEAARO COc1ccccc1[C@@H](CNC(=O)CCNc1ncccn1)[NH+]1CCCC1 ZINC000032928320 539960368 /nfs/dbraw/zinc/96/03/68/539960368.db2.gz INQYKIQPWPLHPP-QGZVFWFLSA-N 1 0 369.469 2.241 50 0 FEAARO O=C(CN(Cc1ccccc1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000033032406 539964723 /nfs/dbraw/zinc/96/47/23/539964723.db2.gz QTNAHJDUWAQKLA-UHFFFAOYSA-N 1 0 373.403 2.039 50 0 FEAARO Cc1oc2ncn(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)c2c1C ZINC000035378334 539981331 /nfs/dbraw/zinc/98/13/31/539981331.db2.gz KMFYJRUVCXUVAW-UHFFFAOYSA-N 1 0 372.469 2.083 50 0 FEAARO COCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@@H](O)COC ZINC000035840549 539984249 /nfs/dbraw/zinc/98/42/49/539984249.db2.gz VQCMQXZNIVLQKO-LJQANCHMSA-N 1 0 350.434 2.131 50 0 FEAARO Cc1ccccc1Cc1c(C)nc(C)nc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000036340124 539989440 /nfs/dbraw/zinc/98/94/40/539989440.db2.gz NJQOCWOTENQWAB-MRXNPFEDSA-N 1 0 354.498 2.495 50 0 FEAARO COc1ccccc1[C@@H](CNC(=O)CN1CCSC1=O)[NH+]1CCCC1 ZINC000040007819 540003985 /nfs/dbraw/zinc/00/39/85/540003985.db2.gz MWECVQOTQMCCAB-OAHLLOKOSA-N 1 0 363.483 2.117 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000040073629 540004994 /nfs/dbraw/zinc/00/49/94/540004994.db2.gz YSEPSDVGHVWAJI-GJZGRUSLSA-N 1 0 351.516 2.362 50 0 FEAARO CCC(CC)(CNC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)[NH+](C)C ZINC000043381505 540098712 /nfs/dbraw/zinc/09/87/12/540098712.db2.gz OBVIIDGNCPQGIW-UHFFFAOYSA-N 1 0 370.519 2.179 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2cnccn2)CC1)CC(C)C ZINC000045537828 540216310 /nfs/dbraw/zinc/21/63/10/540216310.db2.gz BQJQPMMIZFOPET-QGZVFWFLSA-N 1 0 362.522 2.065 50 0 FEAARO CC(C)N(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966626 540235736 /nfs/dbraw/zinc/23/57/36/540235736.db2.gz IDOABIMDHLLAAO-UHFFFAOYSA-N 1 0 371.403 2.378 50 0 FEAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCN3CCOCC3)cc2)C1 ZINC000047617812 540320541 /nfs/dbraw/zinc/32/05/41/540320541.db2.gz WDPCAHZRSFPJLK-SFHVURJKSA-N 1 0 374.529 2.050 50 0 FEAARO COc1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1OCc1cccnc1 ZINC000054174458 540573440 /nfs/dbraw/zinc/57/34/40/540573440.db2.gz TUPJILMMLFCYSO-KRWDZBQOSA-N 1 0 355.438 2.428 50 0 FEAARO O=C(CCCNC(=O)c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000055216221 540636241 /nfs/dbraw/zinc/63/62/41/540636241.db2.gz QMIOARKHYZXZCB-UHFFFAOYSA-N 1 0 361.461 2.423 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CSc1cn(C)c2ccccc12 ZINC000299755434 223081747 /nfs/dbraw/zinc/08/17/47/223081747.db2.gz CQPOMEFQHKEBLL-RDJZCZTQSA-N 1 0 361.511 2.494 50 0 FEAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3nc(C)cnc3C)c2)C1 ZINC000299781292 223093714 /nfs/dbraw/zinc/09/37/14/223093714.db2.gz LPYDQNBYGKLRMV-QGZVFWFLSA-N 1 0 368.481 2.459 50 0 FEAARO O=C(NCc1ccc(-c2ncon2)cc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000299803137 223106001 /nfs/dbraw/zinc/10/60/01/223106001.db2.gz XWQXOFYHDDIYLT-QGZVFWFLSA-N 1 0 370.453 2.244 50 0 FEAARO CC[NH+]1CCN(CCNC(=O)Cc2cccn2-c2cccc(Cl)c2)CC1 ZINC000065170952 541228224 /nfs/dbraw/zinc/22/82/24/541228224.db2.gz MEEHNHJHSYGSRZ-UHFFFAOYSA-N 1 0 374.916 2.427 50 0 FEAARO O=S(=O)(Cc1ccccc1C[NH2+]Cc1ccsc1)N1CCOCC1 ZINC000067693166 541500117 /nfs/dbraw/zinc/50/01/17/541500117.db2.gz KSQSEKAKHAMKCX-UHFFFAOYSA-N 1 0 366.508 2.200 50 0 FEAARO Cc1csc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071755404 541770998 /nfs/dbraw/zinc/77/09/98/541770998.db2.gz WTHCYRAHRQKVNZ-HNNXBMFYSA-N 1 0 362.543 2.407 50 0 FEAARO CCCC[N@@H+]1CC[C@H]2N(CCn3cc(Cl)cn3)CCC[C@]2(CO)C1 ZINC000072139102 541786169 /nfs/dbraw/zinc/78/61/69/541786169.db2.gz VASWTBDESXEUNT-QZTJIDSGSA-N 1 0 354.926 2.485 50 0 FEAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2c(F)cccc2Cl)[nH+]1 ZINC000072140571 541787023 /nfs/dbraw/zinc/78/70/23/541787023.db2.gz HJGJZCVSVSQLDJ-UHFFFAOYSA-N 1 0 351.813 2.485 50 0 FEAARO COCc1cc(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)ccc1OC ZINC000072145781 541788088 /nfs/dbraw/zinc/78/80/88/541788088.db2.gz KJAWTNJUFSXLMF-QGZVFWFLSA-N 1 0 362.470 2.213 50 0 FEAARO COCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc4nccnc43)C2)C1 ZINC000072145689 541788294 /nfs/dbraw/zinc/78/82/94/541788294.db2.gz JRKLNOZOBWTPHL-HXUWFJFHSA-N 1 0 354.454 2.204 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)cc1Cl ZINC000072152026 541789436 /nfs/dbraw/zinc/78/94/36/541789436.db2.gz DODHMQDEPXYVBT-MRXNPFEDSA-N 1 0 360.907 2.116 50 0 FEAARO O=C(c1ncccc1O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072153586 541790923 /nfs/dbraw/zinc/79/09/23/541790923.db2.gz TWCWRMJURPRDJA-PWIZWCRZSA-N 1 0 365.433 2.195 50 0 FEAARO O=C(Cc1ccc(F)c(Cl)c1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072152907 541791072 /nfs/dbraw/zinc/79/10/72/541791072.db2.gz OXPAFXNTZGILCU-UHFFFAOYSA-N 1 0 354.853 2.469 50 0 FEAARO Cc1ccnn1CCC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072158598 541791468 /nfs/dbraw/zinc/79/14/68/541791468.db2.gz HBSZSSMZDOFTHI-FQEVSTJZSA-N 1 0 352.482 2.283 50 0 FEAARO OC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1O ZINC000072162789 541792729 /nfs/dbraw/zinc/79/27/29/541792729.db2.gz OVFURKPTXODUHU-XLIONFOSSA-N 1 0 364.449 2.109 50 0 FEAARO Cc1ncc(C(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000072164936 541794245 /nfs/dbraw/zinc/79/42/45/541794245.db2.gz KQFCRTQXVMHVPW-SFHVURJKSA-N 1 0 368.481 2.248 50 0 FEAARO O=C(NCc1ncc2c(n1)CCC2)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072165567 541794406 /nfs/dbraw/zinc/79/44/06/541794406.db2.gz QVWAKRJGYJKZDS-INIZCTEOSA-N 1 0 350.466 2.437 50 0 FEAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CCC(Nc2ncccn2)CC1 ZINC000072170368 541795123 /nfs/dbraw/zinc/79/51/23/541795123.db2.gz ZZINVFSITHXNFN-OAHLLOKOSA-N 1 0 351.454 2.270 50 0 FEAARO O=C(c1ccc2c(c1)CC[NH2+]C2)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072409515 541806284 /nfs/dbraw/zinc/80/62/84/541806284.db2.gz HIKJFWSEYRFJBT-UHFFFAOYSA-N 1 0 353.441 2.429 50 0 FEAARO Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000072412352 541808121 /nfs/dbraw/zinc/80/81/21/541808121.db2.gz XYGUHPJGZKMALK-IBGZPJMESA-N 1 0 369.513 2.335 50 0 FEAARO Nc1nc2c(c(NCC3=CCCCC3)n1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072424880 541810068 /nfs/dbraw/zinc/81/00/68/541810068.db2.gz SFBQHXLQBSDTIL-MRXNPFEDSA-N 1 0 356.518 2.124 50 0 FEAARO c1cn(CC[C@@H]2COc3ccccc3O2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072423615 541810289 /nfs/dbraw/zinc/81/02/89/541810289.db2.gz UHVJCPXBSHBBTC-OAHLLOKOSA-N 1 0 351.410 2.080 50 0 FEAARO Cc1noc(CN(C)c2nc(-c3ccco3)nc3c2CC[N@H+](C)CC3)n1 ZINC000072432318 541812709 /nfs/dbraw/zinc/81/27/09/541812709.db2.gz SJGBPHNZBJGKQA-UHFFFAOYSA-N 1 0 354.414 2.095 50 0 FEAARO CCNc1nc(NCCNS(=O)(=O)c2cccc(Cl)c2)cc(C)[nH+]1 ZINC000072437085 541814217 /nfs/dbraw/zinc/81/42/17/541814217.db2.gz VITMAZIETHOAEG-UHFFFAOYSA-N 1 0 369.878 2.261 50 0 FEAARO CC(C)=CCC[N@H+]1CCC[C@@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072467916 541817978 /nfs/dbraw/zinc/81/79/78/541817978.db2.gz DPIQJJSZJBEENP-QGZVFWFLSA-N 1 0 361.534 2.308 50 0 FEAARO O=C(CCc1nc2ccccc2[nH]c1=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072438723 541815364 /nfs/dbraw/zinc/81/53/64/541815364.db2.gz AMBYAULOLLNQDA-MSOLQXFVSA-N 1 0 368.481 2.425 50 0 FEAARO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)n1 ZINC000072454092 541816144 /nfs/dbraw/zinc/81/61/44/541816144.db2.gz AIEHACCSCLSKDX-QFBILLFUSA-N 1 0 353.470 2.169 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072462596 541816536 /nfs/dbraw/zinc/81/65/36/541816536.db2.gz GHBKWTBOOYQDRT-MRXNPFEDSA-N 1 0 361.534 2.284 50 0 FEAARO c1cn([C@@H](CCn2cncn2)c2ccccc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072480727 541821373 /nfs/dbraw/zinc/82/13/73/541821373.db2.gz GACFSPRRAZGBBD-IBGZPJMESA-N 1 0 374.452 2.121 50 0 FEAARO Cc1c(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)cnn1C ZINC000072481235 541822447 /nfs/dbraw/zinc/82/24/47/541822447.db2.gz SJAWAHCNNNGUFH-KRWDZBQOSA-N 1 0 371.533 2.223 50 0 FEAARO Cc1cc(N2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)nc(N)[nH+]1 ZINC000012588001 220010480 /nfs/dbraw/zinc/01/04/80/220010480.db2.gz NUFCCQKCFCJMCD-JKSUJKDBSA-N 1 0 371.416 2.149 50 0 FEAARO C[NH+](C)CCNC(=O)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000013624379 220078865 /nfs/dbraw/zinc/07/88/65/220078865.db2.gz NFBINQJRMGSFSL-UHFFFAOYSA-N 1 0 350.422 2.451 50 0 FEAARO CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccc(C(C)C)cc3)CN2C1=O ZINC000014747339 220131627 /nfs/dbraw/zinc/13/16/27/220131627.db2.gz KUKLQQLDIZKQQP-OTWHNJEPSA-N 1 0 357.498 2.414 50 0 FEAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@H](C)CO)CC2)C1=O ZINC000014747363 220132535 /nfs/dbraw/zinc/13/25/35/220132535.db2.gz JRTRVFKOCOMHGT-QGZVFWFLSA-N 1 0 373.497 2.117 50 0 FEAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4nccn4C)C3)C2=O)c1 ZINC000015076645 220147735 /nfs/dbraw/zinc/14/77/35/220147735.db2.gz ALJWTWHQMGZWJU-OAQYLSRUSA-N 1 0 368.481 2.443 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1 ZINC000015069421 220144862 /nfs/dbraw/zinc/14/48/62/220144862.db2.gz VTIMFNMBWHJDTK-QGZVFWFLSA-N 1 0 369.469 2.360 50 0 FEAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677606 220160104 /nfs/dbraw/zinc/16/01/04/220160104.db2.gz PCYGNBWJWQVTLS-UHFFFAOYSA-N 1 0 368.481 2.339 50 0 FEAARO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCC[NH+]1CCCC1 ZINC000015772889 220164544 /nfs/dbraw/zinc/16/45/44/220164544.db2.gz YVBRQRZNEJYFEC-UHFFFAOYSA-N 1 0 354.454 2.400 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1cccc(F)c1 ZINC000017794386 220217425 /nfs/dbraw/zinc/21/74/25/220217425.db2.gz MDMAUDASLTWUOD-SFHVURJKSA-N 1 0 368.412 2.024 50 0 FEAARO CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1 ZINC000018249782 220229091 /nfs/dbraw/zinc/22/90/91/220229091.db2.gz GPLKVXDMPZFCQV-NVXWUHKLSA-N 1 0 358.438 2.210 50 0 FEAARO CCC[NH+]1CCC(NC(=O)N2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000074710357 542113815 /nfs/dbraw/zinc/11/38/15/542113815.db2.gz PGEXJIISMYYNQB-UHFFFAOYSA-N 1 0 374.529 2.397 50 0 FEAARO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000076514251 542288104 /nfs/dbraw/zinc/28/81/04/542288104.db2.gz UUPNIZWZCNKHQU-GOSISDBHSA-N 1 0 374.529 2.254 50 0 FEAARO COc1ccccc1Oc1ccccc1NC(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000299779821 532952317 /nfs/dbraw/zinc/95/23/17/532952317.db2.gz IPJMLMZNVQNQEQ-UKRRQHHQSA-N 1 0 357.410 2.332 50 0 FEAARO Cc1cccc(OC[C@H]2CCCN(C(=O)C3CC[NH+](CCO)CC3)C2)c1 ZINC000077341440 542369397 /nfs/dbraw/zinc/36/93/97/542369397.db2.gz ILACLTCLQQQTER-SFHVURJKSA-N 1 0 360.498 2.317 50 0 FEAARO COCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000299774658 533066509 /nfs/dbraw/zinc/06/65/09/533066509.db2.gz IMRZNXJASVJUDX-CYBMUJFWSA-N 1 0 368.865 2.483 50 0 FEAARO CCCSc1ncc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)cn1 ZINC000077375360 542374646 /nfs/dbraw/zinc/37/46/46/542374646.db2.gz QKJQFCIZRXDMBP-GOSISDBHSA-N 1 0 350.532 2.401 50 0 FEAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077407036 542379568 /nfs/dbraw/zinc/37/95/68/542379568.db2.gz BEXIEHVWIIGYBM-OAQYLSRUSA-N 1 0 370.497 2.184 50 0 FEAARO CN1CC2(CC1=O)CCN(C(=O)C1(c3ccccc3)CC[NH+](C)CC1)CC2 ZINC000077539478 542394187 /nfs/dbraw/zinc/39/41/87/542394187.db2.gz HXAWMFFAXQUQAT-UHFFFAOYSA-N 1 0 369.509 2.121 50 0 FEAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 ZINC000021779037 220366666 /nfs/dbraw/zinc/36/66/66/220366666.db2.gz LRXTYEQIHBQXEW-SFHVURJKSA-N 1 0 363.458 2.045 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(OC)cc1OC ZINC000021868488 220368664 /nfs/dbraw/zinc/36/86/64/220368664.db2.gz UGORVVHODDCUOO-UHFFFAOYSA-N 1 0 374.437 2.370 50 0 FEAARO COc1cccc([C@@H](CNc2nn3c(nc(C)cc3=O)s2)[NH+](C)C)c1 ZINC000032905148 220695453 /nfs/dbraw/zinc/69/54/53/220695453.db2.gz VZZXPFUSVOTQMD-CQSZACIVSA-N 1 0 359.455 2.183 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000048301892 221006986 /nfs/dbraw/zinc/00/69/86/221006986.db2.gz HKHHNAVAPVXWCO-HOTGVXAUSA-N 1 0 370.497 2.389 50 0 FEAARO O=C(CN1CC[NH2+]CC1)N[C@@H]1Cc2ccccc2Sc2ccccc21 ZINC000048533871 221012961 /nfs/dbraw/zinc/01/29/61/221012961.db2.gz SDDJYXCGFAOJSX-QGZVFWFLSA-N 1 0 353.491 2.456 50 0 FEAARO O=C(NC1CC1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)cc3)C2)nc1 ZINC000049420992 221023188 /nfs/dbraw/zinc/02/31/88/221023188.db2.gz KDRKLDWXVPZYRI-SFHVURJKSA-N 1 0 354.429 2.481 50 0 FEAARO CCCCn1c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000049972402 221029445 /nfs/dbraw/zinc/02/94/45/221029445.db2.gz ZTCWNAJGRKEFRZ-LSDHHAIUSA-N 1 0 373.501 2.236 50 0 FEAARO Cc1ccnc(NCC[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)c1 ZINC000055133701 221059664 /nfs/dbraw/zinc/05/96/64/221059664.db2.gz BCBDZZYFUDDGBX-UHFFFAOYSA-N 1 0 351.454 2.422 50 0 FEAARO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)cc(C)c1OCC(F)(F)F ZINC000054395057 221053187 /nfs/dbraw/zinc/05/31/87/221053187.db2.gz WUQWZFBYXRAUMP-NSHDSACASA-N 1 0 361.364 2.260 50 0 FEAARO O=C(NC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1)C1CC1 ZINC000057170806 221084238 /nfs/dbraw/zinc/08/42/38/221084238.db2.gz VJBDLSSZWMDXNV-IBGZPJMESA-N 1 0 355.482 2.168 50 0 FEAARO C[C@@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[NH+]1CCC(C)CC1 ZINC000058170919 221102716 /nfs/dbraw/zinc/10/27/16/221102716.db2.gz YINUSISLSHQFCK-HNNXBMFYSA-N 1 0 372.444 2.222 50 0 FEAARO CC(C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000058198221 221105411 /nfs/dbraw/zinc/10/54/11/221105411.db2.gz WCCNNMQSAOTAPT-AWEZNQCLSA-N 1 0 363.527 2.258 50 0 FEAARO O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058218695 221109225 /nfs/dbraw/zinc/10/92/25/221109225.db2.gz CBPQQIOWBUPDJE-SFHVURJKSA-N 1 0 356.466 2.115 50 0 FEAARO CCCCCCN(CCN1CCOCC1)C(=O)Nc1cc(C)nn1C ZINC000058129879 221098761 /nfs/dbraw/zinc/09/87/61/221098761.db2.gz RLQOVWMYUPDBAJ-UHFFFAOYSA-N 1 0 351.495 2.475 50 0 FEAARO Cc1c(NC(=O)C[NH2+]Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000058158141 221099187 /nfs/dbraw/zinc/09/91/87/221099187.db2.gz WJQFHRNTCVRJHA-UHFFFAOYSA-N 1 0 368.412 2.352 50 0 FEAARO CCC(=O)Nc1ccc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058268426 221112224 /nfs/dbraw/zinc/11/22/24/221112224.db2.gz CUTWWOHBBSLTAM-AWEZNQCLSA-N 1 0 353.488 2.045 50 0 FEAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1)CN2 ZINC000058366706 221115524 /nfs/dbraw/zinc/11/55/24/221115524.db2.gz NOFQHEGZAAUORR-AEFFLSMTSA-N 1 0 353.470 2.187 50 0 FEAARO COc1cc([C@H]2[NH2+]CC[C@@]23C(=O)Nc2ccccc23)cc2c1OCCO2 ZINC000062001413 221137894 /nfs/dbraw/zinc/13/78/94/221137894.db2.gz HCBHUGFDFNCLMN-QUCCMNQESA-N 1 0 352.390 2.391 50 0 FEAARO CCn1cncc1CNC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065373553 221205588 /nfs/dbraw/zinc/20/55/88/221205588.db2.gz MXBAAIGYBILYKM-UHFFFAOYSA-N 1 0 362.861 2.374 50 0 FEAARO O=C(Nc1nccs1)c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000065381427 221207337 /nfs/dbraw/zinc/20/73/37/221207337.db2.gz VPAWVMQPNNORSW-UHFFFAOYSA-N 1 0 372.450 2.470 50 0 FEAARO Cc1noc([C@H](C)NC(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)n1 ZINC000065394159 221209689 /nfs/dbraw/zinc/20/96/89/221209689.db2.gz BHSFDWQIWJVDLO-NSHDSACASA-N 1 0 364.833 2.410 50 0 FEAARO Cc1cccnc1CN1CC[NH+](CCC(=O)NCc2cccs2)CC1 ZINC000065406720 221214681 /nfs/dbraw/zinc/21/46/81/221214681.db2.gz GQDXKQXGVDDHHA-UHFFFAOYSA-N 1 0 358.511 2.276 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CC[NH2+][C@@H](C)C(=O)Nc2nccs2)n1 ZINC000065407238 221214841 /nfs/dbraw/zinc/21/48/41/221214841.db2.gz QGOBSPHYQIQQIK-VIFPVBQESA-N 1 0 359.377 2.420 50 0 FEAARO Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000065432494 221219333 /nfs/dbraw/zinc/21/93/33/221219333.db2.gz OBJBUPOVQNQSOP-UHFFFAOYSA-N 1 0 357.502 2.333 50 0 FEAARO COC(=O)CC1([NH2+]CC(=O)Nc2cccc(Cl)c2C)CCOCC1 ZINC000079109472 542499640 /nfs/dbraw/zinc/49/96/40/542499640.db2.gz BJMNVRYXPNGIGQ-UHFFFAOYSA-N 1 0 354.834 2.289 50 0 FEAARO COC(=O)c1cc(Cl)c(NC(=O)NC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000065551895 221232562 /nfs/dbraw/zinc/23/25/62/221232562.db2.gz CIQKYAMCYIIDGY-SNVBAGLBSA-N 1 0 355.822 2.351 50 0 FEAARO Cc1cc(C[NH+]2CCN(c3nc4ccccc4n3CCO)CC2)ccc1O ZINC000065533661 221232611 /nfs/dbraw/zinc/23/26/11/221232611.db2.gz ORFYXPMBRFQPDL-UHFFFAOYSA-N 1 0 366.465 2.365 50 0 FEAARO O=C(c1c(O)cccc1O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000067642991 221265223 /nfs/dbraw/zinc/26/52/23/221265223.db2.gz QGLJKDZHBCNYFJ-UHFFFAOYSA-N 1 0 352.434 2.413 50 0 FEAARO CCNc1nc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc(C)[nH+]1 ZINC000067613425 221262613 /nfs/dbraw/zinc/26/26/13/221262613.db2.gz XLZQQFFEVBXZIC-MRXNPFEDSA-N 1 0 369.469 2.333 50 0 FEAARO O=C(NCc1cccnc1-n1ccnc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067713015 221275206 /nfs/dbraw/zinc/27/52/06/221275206.db2.gz QSPKDDKMGNQDGV-KRWDZBQOSA-N 1 0 365.437 2.389 50 0 FEAARO CC[C@@H]1CN(C(=O)c2ccc(NCCc3c[nH]cn3)nc2)CC[N@@H+]1C(C)C ZINC000067804899 221289059 /nfs/dbraw/zinc/28/90/59/221289059.db2.gz JSLGTUYJVAFZSW-GOSISDBHSA-N 1 0 370.501 2.404 50 0 FEAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH2+]CCc1ccco1 ZINC000067742609 221280333 /nfs/dbraw/zinc/28/03/33/221280333.db2.gz RQYUOQZXDKEUDC-IBGZPJMESA-N 1 0 364.392 2.244 50 0 FEAARO CCn1cncc1CN1C(=O)N[C@](CCC(C)C)(C2CC[NH2+]CC2)C1=O ZINC000067755480 221280342 /nfs/dbraw/zinc/28/03/42/221280342.db2.gz KEPUMHGLKGFNCB-LJQANCHMSA-N 1 0 361.490 2.129 50 0 FEAARO C[C@@H](NC(=O)c1nc(-c2ccccc2)cs1)c1nnc2n1CC[NH2+]CC2 ZINC000067774701 221284459 /nfs/dbraw/zinc/28/44/59/221284459.db2.gz GLKMFMRBTGLNTA-GFCCVEGCSA-N 1 0 368.466 2.038 50 0 FEAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c(C)[nH]c(=O)[nH]c3=O)C2)cc1 ZINC000067868982 221298473 /nfs/dbraw/zinc/29/84/73/221298473.db2.gz BKLOEEDRNFSSFZ-AWEZNQCLSA-N 1 0 373.478 2.188 50 0 FEAARO C[NH2+]C1CCN(C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067954447 221307606 /nfs/dbraw/zinc/30/76/06/221307606.db2.gz RUUPSVGNUWHKRE-JOCHJYFZSA-N 1 0 373.541 2.347 50 0 FEAARO COc1ccc(OCc2cc(C(=O)N3CC[NH2+][C@H](C)C3)n[nH]2)c(Cl)c1 ZINC000067965300 221308766 /nfs/dbraw/zinc/30/87/66/221308766.db2.gz PVRCOICYVHHHFY-LLVKDONJSA-N 1 0 364.833 2.085 50 0 FEAARO CCNC(=O)CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071746400 221358080 /nfs/dbraw/zinc/35/80/80/221358080.db2.gz OGEVWXFADWRONR-GOSISDBHSA-N 1 0 363.477 2.411 50 0 FEAARO Cc1nc[nH]c1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751905 221363963 /nfs/dbraw/zinc/36/39/63/221363963.db2.gz KOYVSLQSGHHKAU-KRWDZBQOSA-N 1 0 359.518 2.017 50 0 FEAARO CC(C)[C@@H]1C[N@H+](CCn2cncn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071764581 221370705 /nfs/dbraw/zinc/37/07/05/221370705.db2.gz DLRNYLRPZMXVOH-SFHVURJKSA-N 1 0 359.449 2.176 50 0 FEAARO CN1c2ccccc2[C@](CCC(=O)N2CC([NH3+])C2)(Cc2ccccc2)C1=O ZINC000071765405 221373122 /nfs/dbraw/zinc/37/31/22/221373122.db2.gz HEGFTIFDTVXQLQ-QFIPXVFZSA-N 1 0 363.461 2.093 50 0 FEAARO CC(C)c1noc(Cn2nc([C@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)n1 ZINC000072138809 221418097 /nfs/dbraw/zinc/41/80/97/221418097.db2.gz SWITXOFCADWIEE-AWEZNQCLSA-N 1 0 368.441 2.056 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3cc(=O)[nH]cn3)c2)CC1 ZINC000299770232 533580951 /nfs/dbraw/zinc/58/09/51/533580951.db2.gz OEFAUUYIRSTJAL-UHFFFAOYSA-N 1 0 372.494 2.406 50 0 FEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3cc(C(F)(F)F)n[nH]3)cc2C1 ZINC000082087492 542683531 /nfs/dbraw/zinc/68/35/31/542683531.db2.gz JLJWRWMQYSRUJH-UHFFFAOYSA-N 1 0 370.379 2.027 50 0 FEAARO CNc1nc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)cs1 ZINC000082134637 542685430 /nfs/dbraw/zinc/68/54/30/542685430.db2.gz NYKHKXGLVZWGRM-UHFFFAOYSA-N 1 0 374.514 2.460 50 0 FEAARO CCC[C@@H]1CN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C[C@H]1[NH+](C)C ZINC000082137821 542685719 /nfs/dbraw/zinc/68/57/19/542685719.db2.gz XEBIURJLQGXRAE-CRAIPNDOSA-N 1 0 362.499 2.223 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)cc(C)[nH+]1 ZINC000077353559 132182039 /nfs/dbraw/zinc/18/20/39/132182039.db2.gz HJKQOZBASJWDET-UHFFFAOYSA-N 1 0 362.437 2.446 50 0 FEAARO Cn1ncc(N2CCO[C@H](CCNc3cc[nH+]c4ccccc34)C2)cc1=O ZINC000077421102 132184822 /nfs/dbraw/zinc/18/48/22/132184822.db2.gz OHPSNRXVKOPPSV-MRXNPFEDSA-N 1 0 365.437 2.036 50 0 FEAARO C[C@H](C(=O)N1CCCCCC1)N1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082133892 132196782 /nfs/dbraw/zinc/19/67/82/132196782.db2.gz LCVJPMPJQNPCCQ-MRXNPFEDSA-N 1 0 370.497 2.358 50 0 FEAARO CCc1cc(N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)nc(C)n1 ZINC000091724750 132203361 /nfs/dbraw/zinc/20/33/61/132203361.db2.gz VKXXIKCVWVCLHZ-SFHVURJKSA-N 1 0 371.529 2.261 50 0 FEAARO O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000092019326 132205263 /nfs/dbraw/zinc/20/52/63/132205263.db2.gz UEMXRKFLMZTZJS-LBPRGKRZSA-N 1 0 358.269 2.021 50 0 FEAARO CN(C)c1nccnc1N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095356012 132207141 /nfs/dbraw/zinc/20/71/41/132207141.db2.gz ISELKJBVSGPNDU-INIZCTEOSA-N 1 0 357.506 2.075 50 0 FEAARO Cc1ccc(CSc2nc(N)cc(N3CC[N@@H+](C)[C@H](CCO)C3)n2)cc1 ZINC000095383369 132209780 /nfs/dbraw/zinc/20/97/80/132209780.db2.gz VRGPXOXRWHAVRX-MRXNPFEDSA-N 1 0 373.526 2.162 50 0 FEAARO Cc1nc2c(c(N3CCC(O)(C[NH+](C)C)CC3)n1)Cc1ccccc1OC2 ZINC000096131711 132219631 /nfs/dbraw/zinc/21/96/31/132219631.db2.gz OHYYHRRAOKKEEK-UHFFFAOYSA-N 1 0 368.481 2.161 50 0 FEAARO CCc1cc(N2CCC([NH2+][C@H]3CN(C(C)C)C[C@@H]3OC)CC2)nc(C)n1 ZINC000096163527 132221603 /nfs/dbraw/zinc/22/16/03/132221603.db2.gz OVRKPDDYRHUEJM-OALUTQOASA-N 1 0 361.534 2.013 50 0 FEAARO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000001015818 132252418 /nfs/dbraw/zinc/25/24/18/132252418.db2.gz FACJHMYFSONKTJ-GOSISDBHSA-N 1 0 361.873 2.435 50 0 FEAARO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000225401042 132284735 /nfs/dbraw/zinc/28/47/35/132284735.db2.gz YGEOPJBOVNSLMF-CVEARBPZSA-N 1 0 359.470 2.133 50 0 FEAARO Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000244794601 132290772 /nfs/dbraw/zinc/29/07/72/132290772.db2.gz QPVPERXDYBCBLH-KDURUIRLSA-N 1 0 352.482 2.388 50 0 FEAARO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000089775634 542770688 /nfs/dbraw/zinc/77/06/88/542770688.db2.gz VPNUTAMPTFSJIH-LBPRGKRZSA-N 1 0 352.866 2.299 50 0 FEAARO CCN1CC2(CCC1=O)CCN(C(=O)[C@@](C)([NH3+])Cc1ccccc1)CC2 ZINC000091416576 542806451 /nfs/dbraw/zinc/80/64/51/542806451.db2.gz UUXNVDJDTCJSHO-FQEVSTJZSA-N 1 0 357.498 2.198 50 0 FEAARO Cc1c2cc(F)ccc2[nH]c1CN1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091585938 542813535 /nfs/dbraw/zinc/81/35/35/542813535.db2.gz BEPZTVGDAAATRC-FQEVSTJZSA-N 1 0 358.461 2.402 50 0 FEAARO COc1ccc(C[N@H+]2C[C@H]3CC[C@H](CN3S(=O)(=O)C3CC3)C2)cc1 ZINC000091707850 542821100 /nfs/dbraw/zinc/82/11/00/542821100.db2.gz XZBRQSIIGQYBGF-JKSUJKDBSA-N 1 0 350.484 2.084 50 0 FEAARO Cn1c(Cn2cncn2)nnc1C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000091745216 542823153 /nfs/dbraw/zinc/82/31/53/542823153.db2.gz ULTOABRLMQRJBU-VMPITWQZSA-N 1 0 363.469 2.348 50 0 FEAARO CCC[C@H]1C[N@H+](Cc2[nH]cc(C)c(=O)c2C)C[C@@H]1NC(=O)CSC ZINC000091779104 542825172 /nfs/dbraw/zinc/82/51/72/542825172.db2.gz KYBVDAZMWGEBPX-HOCLYGCPSA-N 1 0 351.516 2.071 50 0 FEAARO CC(C)Cc1cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)n(C)n1 ZINC000091793802 542825810 /nfs/dbraw/zinc/82/58/10/542825810.db2.gz RMUVQUQUMYGYRY-UHFFFAOYSA-N 1 0 350.532 2.272 50 0 FEAARO c1cn(Cc2noc(C3CCCC3)n2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091858251 542828847 /nfs/dbraw/zinc/82/88/47/542828847.db2.gz NPCGGUXIWNNCQP-UHFFFAOYSA-N 1 0 368.445 2.155 50 0 FEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2CCCOCc2ccccc2)C1 ZINC000091914616 542832485 /nfs/dbraw/zinc/83/24/85/542832485.db2.gz GNNLUGAEKYMMAQ-VQTJNVASSA-N 1 0 359.514 2.078 50 0 FEAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCC(=O)NCc1ccc(C)cc1)C2 ZINC000091997690 542835830 /nfs/dbraw/zinc/83/58/30/542835830.db2.gz RNEFQWWVCHUQMS-RBUKOAKNSA-N 1 0 357.498 2.334 50 0 FEAARO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](CCCC(=O)c1ccccc1)C2 ZINC000092021963 542838649 /nfs/dbraw/zinc/83/86/49/542838649.db2.gz ABLTUWYJKNAIFU-NVXWUHKLSA-N 1 0 350.484 2.005 50 0 FEAARO Cc1ccc2oc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)nc2c1 ZINC000092046372 542841383 /nfs/dbraw/zinc/84/13/83/542841383.db2.gz UBQOORBSESYAEO-MJGOQNOKSA-N 1 0 372.513 2.351 50 0 FEAARO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C3CCCCC3)C[C@@H]2C2CC2)c(=O)n1C ZINC000092064962 542842060 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FEAARO CN1CCN(c2ccc(N3CCC([NH2+]CCc4c[nH]cn4)CC3)cc2)C1=O ZINC000023231362 136152389 /nfs/dbraw/zinc/15/23/89/136152389.db2.gz JXDWWEDWMNGGJH-UHFFFAOYSA-N 1 0 368.485 2.083 50 0 FEAARO CC(C)[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3F)C(=O)C2)CC1 ZINC000095373037 542964037 /nfs/dbraw/zinc/96/40/37/542964037.db2.gz RTTMZEPWCJNLFW-UHFFFAOYSA-N 1 0 361.461 2.117 50 0 FEAARO Cc1ccc2nsnc2c1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000095360994 542960133 /nfs/dbraw/zinc/96/01/33/542960133.db2.gz GXEIFAICTBVIEB-KGLIPLIRSA-N 1 0 374.491 2.115 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3ccn[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095361158 542960320 /nfs/dbraw/zinc/96/03/20/542960320.db2.gz YZZMKRDJFCIKAE-BHIYHBOVSA-N 1 0 352.438 2.121 50 0 FEAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCc1nc(-c2ncccn2)no1 ZINC000095364484 542960685 /nfs/dbraw/zinc/96/06/85/542960685.db2.gz WIOKDOAEHRIOIW-LSDHHAIUSA-N 1 0 370.457 2.188 50 0 FEAARO CCc1nnsc1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH+](C)C)C1 ZINC000095366633 542960745 /nfs/dbraw/zinc/96/07/45/542960745.db2.gz LIDCXKOHKOTRFJ-GOEBONIOSA-N 1 0 360.483 2.279 50 0 FEAARO CN(C)C(=O)c1cc2c(s1)CCN(C(=O)CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000095380294 542965026 /nfs/dbraw/zinc/96/50/26/542965026.db2.gz FVLYHVSMUVNKJK-AWEZNQCLSA-N 1 0 363.527 2.457 50 0 FEAARO CCN1CC2(CC[NH+](CCCC(N)=O)CC2)C[C@H](c2ccccc2)C1=O ZINC000095386581 542965943 /nfs/dbraw/zinc/96/59/43/542965943.db2.gz YUGHJZIZNUFVTM-GOSISDBHSA-N 1 0 357.498 2.370 50 0 FEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1F)C2 ZINC000095390110 542967977 /nfs/dbraw/zinc/96/79/77/542967977.db2.gz OFZKUOARHKASAF-HZPDHXFCSA-N 1 0 361.461 2.278 50 0 FEAARO O[C@H]1CN(c2nc(-c3ccccc3)no2)CC[N@H+](Cc2ccccc2)C1 ZINC000095517003 542978218 /nfs/dbraw/zinc/97/82/18/542978218.db2.gz WYIXTENBERBBMT-GOSISDBHSA-N 1 0 350.422 2.420 50 0 FEAARO COc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000095918127 542982911 /nfs/dbraw/zinc/98/29/11/542982911.db2.gz LWCYBGMDXQAEJW-INIZCTEOSA-N 1 0 361.438 2.284 50 0 FEAARO Cc1nnc(CN(C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000095525657 542980720 /nfs/dbraw/zinc/98/07/20/542980720.db2.gz DKEVBAFCGAWQMN-GOSISDBHSA-N 1 0 374.485 2.236 50 0 FEAARO COc1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1OCc1csc(C)n1 ZINC000125018739 543856813 /nfs/dbraw/zinc/85/68/13/543856813.db2.gz GKDYWXXYFRVPAG-GFCCVEGCSA-N 1 0 361.467 2.473 50 0 FEAARO C[C@H]1CC[C@H](C)N1C(=O)NCc1cccc(OCCN2CCOCC2)c1 ZINC000129863936 544130193 /nfs/dbraw/zinc/13/01/93/544130193.db2.gz DRKFRCLLMFUIJL-IRXDYDNUSA-N 1 0 361.486 2.480 50 0 FEAARO O=C1OC2(CN1CCOc1ccccc1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072458012 221537644 /nfs/dbraw/zinc/53/76/44/221537644.db2.gz OVVQRBAMTCDDFG-QGZVFWFLSA-N 1 0 359.470 2.104 50 0 FEAARO [NH3+]CC(=O)Nc1nn(-c2ccc(F)cc2)c2cccc(N3CCOC3=O)c21 ZINC000077354799 221612712 /nfs/dbraw/zinc/61/27/12/221612712.db2.gz TWXNXMCYMSCZHK-UHFFFAOYSA-N 1 0 369.356 2.018 50 0 FEAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000091997465 221823709 /nfs/dbraw/zinc/82/37/09/221823709.db2.gz NKIILJWTLNWBAS-UHFFFAOYSA-N 1 0 361.461 2.232 50 0 FEAARO Cc1nc(-c2ncc(C(=O)N3CCC[C@@]4(CC[N@@H+](C)C4)C3)c(=O)[nH]2)cs1 ZINC000096141699 222045475 /nfs/dbraw/zinc/04/54/75/222045475.db2.gz IIFIKPCAEMXLCQ-SFHVURJKSA-N 1 0 373.482 2.172 50 0 FEAARO Cc1cc(-n2nc(-c3ccncc3)nc2C2CCS(=O)(=O)CC2)cc[nH+]1 ZINC000097594717 222195458 /nfs/dbraw/zinc/19/54/58/222195458.db2.gz LAOUXFLYQULFBZ-UHFFFAOYSA-N 1 0 369.450 2.325 50 0 FEAARO CC(C)Cc1noc([C@@H](C)NC(=O)C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000097600956 222196536 /nfs/dbraw/zinc/19/65/36/222196536.db2.gz ZJHDDFWENAGJFY-CQSZACIVSA-N 1 0 364.490 2.336 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000097813639 222215272 /nfs/dbraw/zinc/21/52/72/222215272.db2.gz PAXXBKGMBACQJY-MRXNPFEDSA-N 1 0 370.478 2.336 50 0 FEAARO Cn1ccc(C(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1=O ZINC000097823564 222216163 /nfs/dbraw/zinc/21/61/63/222216163.db2.gz HFLJXJASEBLHFT-SFHVURJKSA-N 1 0 353.466 2.070 50 0 FEAARO COc1ccc([C@@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@H]32)c(OC)c1OC ZINC000100855728 222255004 /nfs/dbraw/zinc/25/50/04/222255004.db2.gz FGSKGRHSNQNBAW-GJZGRUSLSA-N 1 0 352.394 2.499 50 0 FEAARO COc1cccc(C[N@@H+]2CCc3nc(N)nc(N4CC=CC4)c3CC2)c1 ZINC000101779672 222283189 /nfs/dbraw/zinc/28/31/89/222283189.db2.gz GAKKRWIZYSOMQI-UHFFFAOYSA-N 1 0 351.454 2.044 50 0 FEAARO Cc1ccc(OCC(=O)N2CCC(C[N@H+]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000107286131 222392997 /nfs/dbraw/zinc/39/29/97/222392997.db2.gz JDZBJOPSPXUFPG-GOSISDBHSA-N 1 0 359.514 2.248 50 0 FEAARO COc1ccccc1/C=C/CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000107436377 222393375 /nfs/dbraw/zinc/39/33/75/222393375.db2.gz JXAFHGITCDVKCB-GZNAHNRGSA-N 1 0 373.541 2.171 50 0 FEAARO Cc1cnc(C)c(N2CCN(C(=O)NC(C)(C)C[NH+]3CCCCC3)CC2)n1 ZINC000426407709 263579675 /nfs/dbraw/zinc/57/96/75/263579675.db2.gz VKWLLQFNONVQIH-UHFFFAOYSA-N 1 0 374.533 2.190 50 0 FEAARO O=C(C1CC[NH+](C2CC2)CC1)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000192825492 328341937 /nfs/dbraw/zinc/34/19/37/328341937.db2.gz ASEAWEOIBICURL-KRWDZBQOSA-N 1 0 361.873 2.214 50 0 FEAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(c2nccs2)CC1 ZINC000171853605 327165692 /nfs/dbraw/zinc/16/56/92/327165692.db2.gz IQKZTQYBRPDCMF-HNNXBMFYSA-N 1 0 351.520 2.239 50 0 FEAARO O[C@@]12CCOC[C@@H]1C[N@H+](Cc1ccc(Cl)c(F)c1)[C@H]1CCOC[C@H]12 ZINC000299760100 534422167 /nfs/dbraw/zinc/42/21/67/534422167.db2.gz RKKROFCHFLRKHE-DACLVMHWSA-N 1 0 355.837 2.467 50 0 FEAARO CCC[C@@H](C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)[NH+](C)C ZINC000089949403 520581175 /nfs/dbraw/zinc/58/11/75/520581175.db2.gz KCROAUUSEJGMKV-IBGZPJMESA-N 1 0 374.529 2.062 50 0 FEAARO CCCCSc1nnc(NC(=O)CSc2nc(N)cc(N)[nH+]2)s1 ZINC000020100347 520978819 /nfs/dbraw/zinc/97/88/19/520978819.db2.gz UUPXJFSSUCFUJC-UHFFFAOYSA-N 1 0 371.517 2.116 50 0 FEAARO CCN(Cc1noc(C2CCC2)n1)C(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000240163596 521467567 /nfs/dbraw/zinc/46/75/67/521467567.db2.gz JCEFRLQDBXBJBY-OKILXGFUSA-N 1 0 373.461 2.033 50 0 FEAARO CCN1CC2(CCC1=O)CC[NH+](CC(=O)NCc1ccccc1OC)CC2 ZINC000091636017 521545746 /nfs/dbraw/zinc/54/57/46/521545746.db2.gz OJLDDYGLSYBDMQ-UHFFFAOYSA-N 1 0 373.497 2.036 50 0 FEAARO CC[NH+]1CCN([C@@H](CNC(=O)c2ccc(OC)cc2)c2cccnc2)CC1 ZINC000020485579 521691767 /nfs/dbraw/zinc/69/17/67/521691767.db2.gz BVBBJNUDGYIQGV-FQEVSTJZSA-N 1 0 368.481 2.199 50 0 FEAARO CCSc1ccc(C(=O)N2CCC[C@H](Cn3cc(C[NH3+])nn3)C2)s1 ZINC000020820950 521734770 /nfs/dbraw/zinc/73/47/70/521734770.db2.gz LDNFRTFRLRTGKX-LBPRGKRZSA-N 1 0 365.528 2.463 50 0 FEAARO CN(C)Cc1nnc(C2CC[NH+](Cc3cccnc3N)CC2)n1C1CC1 ZINC000082120281 521938434 /nfs/dbraw/zinc/93/84/34/521938434.db2.gz ZEWGSSXSAJTDCE-UHFFFAOYSA-N 1 0 355.490 2.031 50 0 FEAARO COc1cc(C[NH2+]Cc2cccnc2N2CCC[C@@H](O)C2)cc(OC)c1 ZINC000020202878 522467497 /nfs/dbraw/zinc/46/74/97/522467497.db2.gz RKRALBDKSMUTSW-QGZVFWFLSA-N 1 0 357.454 2.350 50 0 FEAARO CN1CCC[C@]2(CC[N@H+](Cc3ccccc3OCCn3ccnc3)C2)C1=O ZINC000091619958 523859544 /nfs/dbraw/zinc/85/95/44/523859544.db2.gz QEKPKXIAOWSCMS-OAQYLSRUSA-N 1 0 368.481 2.406 50 0 FEAARO C[NH+]1CCN(Cc2ccc(N3CCC[C@](CO)(CC4CC4)C3)nc2)CC1 ZINC000091468647 523911854 /nfs/dbraw/zinc/91/18/54/523911854.db2.gz YMMAJPZFHLEEJT-NRFANRHFSA-N 1 0 358.530 2.208 50 0 FEAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3nccn3C)C2)CC1 ZINC000020212297 524558929 /nfs/dbraw/zinc/55/89/29/524558929.db2.gz VQLRTPKQENQJKY-GOSISDBHSA-N 1 0 369.513 2.215 50 0 FEAARO O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000299772547 534801821 /nfs/dbraw/zinc/80/18/21/534801821.db2.gz BDJSFSXKPSYJIC-FQEVSTJZSA-N 1 0 368.412 2.168 50 0 FEAARO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@@H](C)[NH2+]1 ZINC000153401535 524850783 /nfs/dbraw/zinc/85/07/83/524850783.db2.gz DNLZGPXGLJVICN-NXEZZACHSA-N 1 0 364.243 2.113 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000153260993 524877481 /nfs/dbraw/zinc/87/74/81/524877481.db2.gz USRYMLBVXXGGOR-IYBDPMFKSA-N 1 0 372.490 2.483 50 0 FEAARO C[C@@H]1CN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000153865521 524887853 /nfs/dbraw/zinc/88/78/53/524887853.db2.gz FKJCBHFRYNNVLU-OKILXGFUSA-N 1 0 362.451 2.076 50 0 FEAARO Cc1ccccc1CNC(=O)C[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091664226 525150985 /nfs/dbraw/zinc/15/09/85/525150985.db2.gz YHFSEMNEAZHTKJ-UHFFFAOYSA-N 1 0 369.509 2.478 50 0 FEAARO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237468791 525301784 /nfs/dbraw/zinc/30/17/84/525301784.db2.gz ABWNVRUQIVHVCR-JLTOFOAXSA-N 1 0 363.477 2.354 50 0 FEAARO COc1ccc2c(c1)C[C@H]([NH+]1CCC(Cn3cc(CO)nn3)CC1)CC2 ZINC000020862779 525544704 /nfs/dbraw/zinc/54/47/04/525544704.db2.gz ZYCIHNHBXHYEIQ-LJQANCHMSA-N 1 0 356.470 2.049 50 0 FEAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N[C@H]1CC[C@H](n2cnnc2)CC1 ZINC000244872899 526803682 /nfs/dbraw/zinc/80/36/82/526803682.db2.gz WGPOZKXRCGQRCU-GUDVDZBRSA-N 1 0 353.470 2.368 50 0 FEAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](O)C[NH+](C)C ZINC000089526033 526843700 /nfs/dbraw/zinc/84/37/00/526843700.db2.gz VUFZYGRWNYNORV-JTQLQIEISA-N 1 0 355.797 2.095 50 0 FEAARO O=C1N(C2CCOCC2)CCC[C@]12CC[N@H+](Cc1cc(C3CC3)n[nH]1)C2 ZINC000091444905 527036252 /nfs/dbraw/zinc/03/62/52/527036252.db2.gz NOOTYWYINGZFKE-HXUWFJFHSA-N 1 0 358.486 2.281 50 0 FEAARO O=C1C[C@]2(CC[N@H+](Cc3ccc(OCCCn4ccnc4)cc3)C2)C(=O)N1 ZINC000082138615 527046368 /nfs/dbraw/zinc/04/63/68/527046368.db2.gz SFMLLIIIQNITHY-FQEVSTJZSA-N 1 0 368.437 2.431 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 ZINC000178541939 527238320 /nfs/dbraw/zinc/23/83/20/527238320.db2.gz AIRIKKAIDTYWLB-LLVKDONJSA-N 1 0 355.360 2.253 50 0 FEAARO Cc1ncncc1C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082107572 527465411 /nfs/dbraw/zinc/46/54/11/527465411.db2.gz IQXIJGCSJWQUEA-UHFFFAOYSA-N 1 0 368.485 2.450 50 0 FEAARO OCC[C@H]1CN(Cc2cccc3nonc32)CC[N@@H+]1CCc1ccccc1 ZINC000019791023 527574048 /nfs/dbraw/zinc/57/40/48/527574048.db2.gz VZWSJUKPYAMVJS-IBGZPJMESA-N 1 0 366.465 2.334 50 0 FEAARO Cc1nn(C)c(C)c1CCC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000082096287 527617719 /nfs/dbraw/zinc/61/77/19/527617719.db2.gz TVALOSAETQWBKQ-UHFFFAOYSA-N 1 0 350.532 2.009 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3c(C)cc(=O)[nH]c3C)cc2C1 ZINC000299799482 528487440 /nfs/dbraw/zinc/48/74/40/528487440.db2.gz SQPQKMLNAKONJI-UHFFFAOYSA-N 1 0 357.458 2.146 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)NCCOc2cccc3cccnc32)C1 ZINC000299772804 529055051 /nfs/dbraw/zinc/05/50/51/529055051.db2.gz AFCZVJRQQZRKOU-QGZVFWFLSA-N 1 0 357.454 2.229 50 0 FEAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072158038 535193850 /nfs/dbraw/zinc/19/38/50/535193850.db2.gz IFLSSGMSUIWKOR-QGZVFWFLSA-N 1 0 364.921 2.190 50 0 FEAARO CCc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071763335 536020468 /nfs/dbraw/zinc/02/04/68/536020468.db2.gz BTZPNRNXLQJPDQ-KRWDZBQOSA-N 1 0 371.529 2.307 50 0 FEAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](CC(C)(C)CO)C2)CC1 ZINC000023375237 537071379 /nfs/dbraw/zinc/07/13/79/537071379.db2.gz AXONMRCKRSFXOP-SFHVURJKSA-N 1 0 361.530 2.300 50 0 FEAARO COc1cc[nH+]c(N2CCN(S(=O)(=O)CC3CCCCC3)CC2)c1 ZINC000104749184 537118766 /nfs/dbraw/zinc/11/87/66/537118766.db2.gz NKEPVXIMKZSTCD-UHFFFAOYSA-N 1 0 353.488 2.122 50 0 FEAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cnc(-c3ccccn3)s2)CC1 ZINC000176439498 546446436 /nfs/dbraw/zinc/44/64/36/546446436.db2.gz SAFIXTGRDQOAET-CQSZACIVSA-N 1 0 374.510 2.370 50 0 FEAARO c1cnn(Cc2ccccc2C[N@@H+]2CCCO[C@@H](Cn3cccn3)C2)c1 ZINC000215059415 548668040 /nfs/dbraw/zinc/66/80/40/548668040.db2.gz QJKZLHMLIBFTDO-HXUWFJFHSA-N 1 0 351.454 2.419 50 0 FEAARO Cc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](N4CCN(C)CC4)C3)cc2)o1 ZINC000216237355 548675509 /nfs/dbraw/zinc/67/55/09/548675509.db2.gz RZZRKWCSULTTCU-PMACEKPBSA-N 1 0 355.482 2.048 50 0 FEAARO C[N@H+](CC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)C1CCCC1 ZINC000223107650 548715494 /nfs/dbraw/zinc/71/54/94/548715494.db2.gz JYZMYDONPLRVKT-MSOLQXFVSA-N 1 0 350.434 2.353 50 0 FEAARO COc1ccc([C@@H](CNC(=O)[C@H]2CCCC23OCCO3)[NH+]2CCCC2)cc1 ZINC000225807474 548743886 /nfs/dbraw/zinc/74/38/86/548743886.db2.gz YIASKCPTYUXNIF-RTBURBONSA-N 1 0 374.481 2.492 50 0 FEAARO O=C(COc1ccc(F)c(Cl)c1)N[C@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000240824937 548884650 /nfs/dbraw/zinc/88/46/50/548884650.db2.gz QMIQHCHQIIQDGM-LXIYXOSZSA-N 1 0 370.852 2.113 50 0 FEAARO Cc1nc(CCCNC(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)sc1C ZINC000244840329 548897376 /nfs/dbraw/zinc/89/73/76/548897376.db2.gz ULCMSXWBKWDNFX-CQSZACIVSA-N 1 0 352.548 2.225 50 0 FEAARO Cc1nc2c(c(C)n1)C[C@@H](C[NH+]1CCC(C(=O)NCc3ccco3)CC1)O2 ZINC000244899422 548898210 /nfs/dbraw/zinc/89/82/10/548898210.db2.gz ZJRCVYYQUFZZJU-KRWDZBQOSA-N 1 0 370.453 2.018 50 0 FEAARO CCn1c(CN(C)Cc2cc(-c3cccnc3)no2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252551777 549674123 /nfs/dbraw/zinc/67/41/23/549674123.db2.gz UGVQXOHEPYECMN-GASCZTMLSA-N 1 0 367.457 2.185 50 0 FEAARO CC(C)C[N@@H+]1CC[C@]2(CO)CN(C(=O)c3cccc(N(C)C)c3)C[C@@H]2C1 ZINC000257174194 549710815 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FEAARO CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426552363 559737791 /nfs/dbraw/zinc/73/77/91/559737791.db2.gz QVYNFPOFCGWYTG-OAQYLSRUSA-N 1 0 357.498 2.371 50 0 FEAARO Cn1c(SC[C@@H]2CC(=O)N(c3ccccc3)C2)nnc1C1CC[NH2+]CC1 ZINC000426690706 559740480 /nfs/dbraw/zinc/74/04/80/559740480.db2.gz PJLZAVHZHJRGIC-CQSZACIVSA-N 1 0 371.510 2.427 50 0 FEAARO Cc1ccc([C@H](CNC(=O)N2CCCNC(=O)C2)[NH+]2CCC(C)CC2)cc1 ZINC000534585549 562537403 /nfs/dbraw/zinc/53/74/03/562537403.db2.gz MEPVXXIOXSVIHU-IBGZPJMESA-N 1 0 372.513 2.300 50 0 FEAARO COc1ccc(-c2noc([C@H](C)NC(=O)N3CCC[N@H+](C)CC3)n2)cc1 ZINC000534640083 562539046 /nfs/dbraw/zinc/53/90/46/562539046.db2.gz ILWCKTSGPIQIHH-ZDUSSCGKSA-N 1 0 359.430 2.153 50 0 FEAARO COc1ccc(Oc2ccc(C(=O)NC[C@]3(O)CCC[NH2+]C3)cc2)cc1 ZINC000534644757 562539220 /nfs/dbraw/zinc/53/92/20/562539220.db2.gz RNGUBJNCSMSXMF-FQEVSTJZSA-N 1 0 356.422 2.332 50 0 FEAARO Cc1ccc([C@H](CNC(=O)N2CCNC(=O)CC2)[NH+]2CCC(C)CC2)cc1 ZINC000534650902 562539251 /nfs/dbraw/zinc/53/92/51/562539251.db2.gz DKZOTCFOURHSKB-IBGZPJMESA-N 1 0 372.513 2.300 50 0 FEAARO COc1ccc(CN(C)C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)cc1OC ZINC000584901387 570510435 /nfs/dbraw/zinc/51/04/35/570510435.db2.gz XLILZGUVMZZQAE-INIZCTEOSA-N 1 0 363.502 2.078 50 0 FEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000104897136 570864060 /nfs/dbraw/zinc/86/40/60/570864060.db2.gz PAUJLJPNNUGWFP-ZWKOTPCHSA-N 1 0 367.449 2.275 50 0 FEAARO CC[NH+](CC)CC1CCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000048343309 570948827 /nfs/dbraw/zinc/94/88/27/570948827.db2.gz OXCCWOCNHQVATL-IBGZPJMESA-N 1 0 370.501 2.037 50 0 FEAARO Cc1nccn1C[C@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941696 571102029 /nfs/dbraw/zinc/10/20/29/571102029.db2.gz GCFDVQUDFOPZNB-MRXNPFEDSA-N 1 0 356.474 2.029 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000150858455 571160624 /nfs/dbraw/zinc/16/06/24/571160624.db2.gz MVYGKRTVCPGUDB-HNNXBMFYSA-N 1 0 354.516 2.231 50 0 FEAARO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170048150 571261234 /nfs/dbraw/zinc/26/12/34/571261234.db2.gz MCGSLAKNMNLLTQ-JTQLQIEISA-N 1 0 354.332 2.485 50 0 FEAARO CC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820120 571292903 /nfs/dbraw/zinc/29/29/03/571292903.db2.gz RYDGIZCZLRTAPQ-HXUWFJFHSA-N 1 0 357.498 2.369 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccs1 ZINC000584886456 571313821 /nfs/dbraw/zinc/31/38/21/571313821.db2.gz TUSYRMPVECXONQ-OAHLLOKOSA-N 1 0 364.515 2.147 50 0 FEAARO CCCN(Cc1cccc(OC)c1)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000584898308 571315747 /nfs/dbraw/zinc/31/57/47/571315747.db2.gz DOHQKSWPAXKDIO-QGZVFWFLSA-N 1 0 362.518 2.253 50 0 FEAARO Cc1cc2n(n1)CCN(C(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1)C2 ZINC000584899361 571315907 /nfs/dbraw/zinc/31/59/07/571315907.db2.gz PNHZRRXXWIIVGQ-IBGZPJMESA-N 1 0 368.485 2.339 50 0 FEAARO COc1ccc2c(c1)nc(C)cc2C(=O)NCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000670467519 571358974 /nfs/dbraw/zinc/35/89/74/571358974.db2.gz ADINQEPKTGYSNB-OAHLLOKOSA-N 1 0 357.454 2.128 50 0 FEAARO O=C1CC[C@H]([N@@H+]2CCC[C@H](O)C2)CCN1CCOc1ccc(F)cc1 ZINC000011782226 669999453 /nfs/dbraw/zinc/99/94/53/669999453.db2.gz CHIZAJRLCVAVBV-IRXDYDNUSA-N 1 0 350.434 2.042 50 0 FEAARO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC000628187513 676794092 /nfs/dbraw/zinc/79/40/92/676794092.db2.gz SCFIYTHLHUMXML-CQSZACIVSA-N 1 0 350.406 2.262 50 0 FEAARO O[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)COc1ccccc1Br ZINC000657927337 678046173 /nfs/dbraw/zinc/04/61/73/678046173.db2.gz PRMYABFJCAVPSC-OLZOCXBDSA-N 1 0 356.260 2.490 50 0 FEAARO CSCCN1CCN(C(=O)CCC(=O)NC2CCCCCC2)CC1 ZINC000952964055 681792660 /nfs/dbraw/zinc/79/26/60/681792660.db2.gz LVKKHTDCAXNPOD-UHFFFAOYSA-N 1 0 355.548 2.113 50 0 FEAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000952969248 681793364 /nfs/dbraw/zinc/79/33/64/681793364.db2.gz AOCUGRRYHPMANE-GFCCVEGCSA-N 1 0 364.870 2.068 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1cc2c(c3ccccc3n(C)c2=O)n1C ZINC000004938687 539396873 /nfs/dbraw/zinc/39/68/73/539396873.db2.gz GLVOAMYFNPKTDR-UHFFFAOYSA-N 1 0 368.481 2.492 50 0 FEAARO C[N@H+](Cc1ccccc1NC(=O)NCc1nc(N)n[nH]1)C1CCCCC1 ZINC000299773136 530003465 /nfs/dbraw/zinc/00/34/65/530003465.db2.gz BFGJUEPHWRAYEB-UHFFFAOYSA-N 1 0 357.462 2.473 50 0 FEAARO Cc1ccc(NC(=O)C[NH2+]CC2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000005446141 539411047 /nfs/dbraw/zinc/41/10/47/539411047.db2.gz SSOCYGWVUVGHHQ-UHFFFAOYSA-N 1 0 367.515 2.354 50 0 FEAARO O=C(OCC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc(F)cc1 ZINC000005678424 539415208 /nfs/dbraw/zinc/41/52/08/539415208.db2.gz IPAVMWDXUCJBDU-GOEBONIOSA-N 1 0 356.397 2.264 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000005931578 539419866 /nfs/dbraw/zinc/41/98/66/539419866.db2.gz HFTGZXTWUYOCAD-GOSISDBHSA-N 1 0 364.449 2.275 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1cccn1-c1nnc(N2CCCC2)s1 ZINC000007006057 539444528 /nfs/dbraw/zinc/44/45/28/539444528.db2.gz UISKDUOECHCHLM-UHFFFAOYSA-N 1 0 362.503 2.001 50 0 FEAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000009723718 539506610 /nfs/dbraw/zinc/50/66/10/539506610.db2.gz QNUYVHZFDDAHHJ-UHFFFAOYSA-N 1 0 365.481 2.425 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000009329271 539501670 /nfs/dbraw/zinc/50/16/70/539501670.db2.gz GBIJOWBKNCTYBN-SJLPKXTDSA-N 1 0 373.497 2.427 50 0 FEAARO O=S(=O)(c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1)N1CCOCC1 ZINC000009834600 539507571 /nfs/dbraw/zinc/50/75/71/539507571.db2.gz FMPSMVFERYPTFF-MRXNPFEDSA-N 1 0 350.484 2.153 50 0 FEAARO Cc1cnc(CNc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)cn1 ZINC000011709823 539533857 /nfs/dbraw/zinc/53/38/57/539533857.db2.gz PGDWSBROLFIGLL-SFHVURJKSA-N 1 0 368.485 2.396 50 0 FEAARO CC(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000012005569 539540709 /nfs/dbraw/zinc/54/07/09/539540709.db2.gz QKXHWLITTGBWFF-NRFANRHFSA-N 1 0 371.525 2.458 50 0 FEAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2cc(C(=O)NCCO)nn2)CC1 ZINC000011997204 539539527 /nfs/dbraw/zinc/53/95/27/539539527.db2.gz CYHABXDHORXHKF-MRXNPFEDSA-N 1 0 363.506 2.020 50 0 FEAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCCn1ccnc1 ZINC000012219219 539550632 /nfs/dbraw/zinc/55/06/32/539550632.db2.gz XCIMLLKYYAYNOK-GOSISDBHSA-N 1 0 374.460 2.462 50 0 FEAARO Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000012746995 539572093 /nfs/dbraw/zinc/57/20/93/539572093.db2.gz JRDVDWYIXGWGOX-UHFFFAOYSA-N 1 0 354.454 2.468 50 0 FEAARO c1ccc(CNc2nc3nonc3nc2N2CC[NH+](CC3CC3)CC2)cc1 ZINC000014969482 539608385 /nfs/dbraw/zinc/60/83/85/539608385.db2.gz QATVANSMQCFBJG-UHFFFAOYSA-N 1 0 365.441 2.157 50 0 FEAARO CN1CCC([N@@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000019770294 539669006 /nfs/dbraw/zinc/66/90/06/539669006.db2.gz KXMBCOXCLOMYDM-ATKOVBFVSA-N 1 0 361.505 2.302 50 0 FEAARO COCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1 ZINC000020153733 539672772 /nfs/dbraw/zinc/67/27/72/539672772.db2.gz IGSJJAQNZDDBFW-UHFFFAOYSA-N 1 0 373.526 2.228 50 0 FEAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccnc2)CC1 ZINC000020970571 539678766 /nfs/dbraw/zinc/67/87/66/539678766.db2.gz VOSPGIJZXBBPFE-UHFFFAOYSA-N 1 0 368.437 2.262 50 0 FEAARO CC(=O)Nc1ccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]2c1 ZINC000000633440 219307438 /nfs/dbraw/zinc/30/74/38/219307438.db2.gz IKNHXMODNAAOKP-UHFFFAOYSA-O 1 0 353.402 2.450 50 0 FEAARO Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)sc2ncn(C)c(=O)c12 ZINC000025421400 539759882 /nfs/dbraw/zinc/75/98/82/539759882.db2.gz MHPVMRYPKSICJG-AWEZNQCLSA-N 1 0 370.478 2.336 50 0 FEAARO O=C(CNC(=O)c1ccccc1Cl)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338698 539905668 /nfs/dbraw/zinc/90/56/68/539905668.db2.gz XVZVTIDFBJLTNZ-UHFFFAOYSA-N 1 0 371.868 2.244 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000032441109 539939401 /nfs/dbraw/zinc/93/94/01/539939401.db2.gz NXCHVFFVTCLFRT-KBPBESRZSA-N 1 0 354.472 2.014 50 0 FEAARO O=C(CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000033032415 539964462 /nfs/dbraw/zinc/96/44/62/539964462.db2.gz IJPIVMKGQGYKSW-UHFFFAOYSA-N 1 0 371.868 2.414 50 0 FEAARO Cc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000033032586 539964640 /nfs/dbraw/zinc/96/46/40/539964640.db2.gz HLXUCVRVEMSZES-UHFFFAOYSA-N 1 0 369.440 2.208 50 0 FEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2 ZINC000035377549 539981219 /nfs/dbraw/zinc/98/12/19/539981219.db2.gz HZFWRHUNPKWGIT-UHFFFAOYSA-N 1 0 371.412 2.043 50 0 FEAARO COCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C[C@H](O)COC ZINC000035840547 539984026 /nfs/dbraw/zinc/98/40/26/539984026.db2.gz VQCMQXZNIVLQKO-IBGZPJMESA-N 1 0 350.434 2.131 50 0 FEAARO C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000037170969 539996101 /nfs/dbraw/zinc/99/61/01/539996101.db2.gz YWPRDCZPCGPPJL-QRWLVFNGSA-N 1 0 352.434 2.389 50 0 FEAARO COc1ccccc1C[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000037170645 539996194 /nfs/dbraw/zinc/99/61/94/539996194.db2.gz GGBYBCDJWLPDTM-UHFFFAOYSA-N 1 0 368.481 2.261 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000040073632 540005052 /nfs/dbraw/zinc/00/50/52/540005052.db2.gz YSEPSDVGHVWAJI-HUUCEWRRSA-N 1 0 351.516 2.362 50 0 FEAARO COc1cccc(N2C[C@@H](C(=O)NCCC[NH+]3CCCCC3)CC2=O)c1 ZINC000040059600 540005107 /nfs/dbraw/zinc/00/51/07/540005107.db2.gz HDKFFDRMUCZBIU-INIZCTEOSA-N 1 0 359.470 2.040 50 0 FEAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000042674444 540073204 /nfs/dbraw/zinc/07/32/04/540073204.db2.gz YVZUZZJIOXKOJT-UHFFFAOYSA-N 1 0 352.500 2.394 50 0 FEAARO COC(=O)c1ccccc1OC[C@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000004140746 219548796 /nfs/dbraw/zinc/54/87/96/219548796.db2.gz IQHCQTXGXYNJIB-MRXNPFEDSA-N 1 0 369.441 2.309 50 0 FEAARO CC(=O)Nc1nc(CC(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000044174733 540119212 /nfs/dbraw/zinc/11/92/12/540119212.db2.gz XMJXVSBOZQDBIQ-UHFFFAOYSA-N 1 0 350.488 2.121 50 0 FEAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N(C)Cc2nc3ccccc3[nH]2)n1 ZINC000252535680 222978378 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O=C(C[NH2+]C1(CO)CCOCC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000069246998 541670538 /nfs/dbraw/zinc/67/05/38/541670538.db2.gz GXKIMUYTXSYLTQ-FQEVSTJZSA-N 1 0 368.477 2.218 50 0 FEAARO COc1ccc2n[nH]c(C[N@@H+]3CCC[C@@H](c4cc(=O)[nH]c(C)n4)C3)c2c1 ZINC000072133888 541785828 /nfs/dbraw/zinc/78/58/28/541785828.db2.gz WMNWFMXBFQWSDU-CYBMUJFWSA-N 1 0 353.426 2.343 50 0 FEAARO CN(C)C(=O)c1ccc(CN(Cc2cccnc2)[C@H]2C[NH+]3CCC2CC3)o1 ZINC000072146757 541788307 /nfs/dbraw/zinc/78/83/07/541788307.db2.gz CJEQQKJOGQUENB-IBGZPJMESA-N 1 0 368.481 2.473 50 0 FEAARO CCOC(=O)CCNC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072150237 541789577 /nfs/dbraw/zinc/78/95/77/541789577.db2.gz UVWNRCQRPJWFRX-DFQSSKMNSA-N 1 0 371.481 2.211 50 0 FEAARO O=C(c1cnc2cccnn12)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072151665 541789630 /nfs/dbraw/zinc/78/96/30/541789630.db2.gz GVYPIIQCYXZUFA-SFHVURJKSA-N 1 0 361.449 2.045 50 0 FEAARO O=C(Nc1cccc(-c2nccs2)c1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000072313614 541798632 /nfs/dbraw/zinc/79/86/32/541798632.db2.gz CXYRAJXLGGKQHW-HOTGVXAUSA-N 1 0 358.467 2.483 50 0 FEAARO Cc1c(O)cccc1C(=O)N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072411580 541807403 /nfs/dbraw/zinc/80/74/03/541807403.db2.gz LBWRKGKPJKXPAS-OAQYLSRUSA-N 1 0 373.497 2.107 50 0 FEAARO Cc1nc(-c2ccc(-n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)cc2)n[nH]1 ZINC000072473458 541818854 /nfs/dbraw/zinc/81/88/54/541818854.db2.gz SUWXLMBJIOBVJM-UHFFFAOYSA-N 1 0 360.425 2.323 50 0 FEAARO Cc1ccc(-n2cnnc2)cc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072438345 541815346 /nfs/dbraw/zinc/81/53/46/541815346.db2.gz MCFROOMVWGREJS-UHFFFAOYSA-N 1 0 360.425 2.118 50 0 FEAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccccc1OC[C@H]1CCCO1 ZINC000072479039 541821267 /nfs/dbraw/zinc/82/12/67/541821267.db2.gz SKRANTLMDVZUHK-QGZVFWFLSA-N 1 0 370.453 2.115 50 0 FEAARO Cc1ccc2nc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n2c1 ZINC000012854764 220036091 /nfs/dbraw/zinc/03/60/91/220036091.db2.gz OWNCYDIJSDHBNT-UHFFFAOYSA-N 1 0 362.433 2.266 50 0 FEAARO O=C(C[NH+]1CCCCCCC1)NCc1ccccc1CN1CCOCC1 ZINC000012927364 220044432 /nfs/dbraw/zinc/04/44/32/220044432.db2.gz WHFMCLGDTYUHDX-UHFFFAOYSA-N 1 0 359.514 2.401 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21c2cc(C)ccc2NC1=O ZINC000013574987 220076348 /nfs/dbraw/zinc/07/63/48/220076348.db2.gz VCHIEKONPXTXBN-NXVBXIDHSA-N 1 0 367.449 2.020 50 0 FEAARO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014135232 220108852 /nfs/dbraw/zinc/10/88/52/220108852.db2.gz YFNXSJWKXYGVCZ-UHFFFAOYSA-N 1 0 361.467 2.103 50 0 FEAARO O=C1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CN1C1Cc2ccccc2C1 ZINC000014966284 220136855 /nfs/dbraw/zinc/13/68/55/220136855.db2.gz DEWZYTFDQVPCGY-SFHVURJKSA-N 1 0 364.445 2.316 50 0 FEAARO O=C([C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccncc2)C1)N1CCCC1 ZINC000014747404 220132049 /nfs/dbraw/zinc/13/20/49/220132049.db2.gz QJVMGQVOSDXFAE-WOJBJXKFSA-N 1 0 356.514 2.238 50 0 FEAARO COc1ccc(-c2cnnc(NCCCCC[NH+]3CCOCC3)n2)cc1 ZINC000015073634 220146156 /nfs/dbraw/zinc/14/61/56/220146156.db2.gz IZQNTMGWRXIKFB-UHFFFAOYSA-N 1 0 357.458 2.462 50 0 FEAARO Cn1cnnc1SCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000015080043 220146994 /nfs/dbraw/zinc/14/69/94/220146994.db2.gz XBXXXSDUVKHJGT-MRXNPFEDSA-N 1 0 359.499 2.030 50 0 FEAARO Cn1cnnc1SCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000015080046 220147105 /nfs/dbraw/zinc/14/71/05/220147105.db2.gz XBXXXSDUVKHJGT-INIZCTEOSA-N 1 0 359.499 2.030 50 0 FEAARO c1cc(C[NH2+]Cc2ccccc2)n(-c2nnc(N3CCOCC3)s2)c1 ZINC000015728203 220161566 /nfs/dbraw/zinc/16/15/66/220161566.db2.gz GWQPLQBEJQPTJV-UHFFFAOYSA-N 1 0 355.467 2.455 50 0 FEAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770210 220164444 /nfs/dbraw/zinc/16/44/44/220164444.db2.gz UMGNEJUZNPCCSL-UHFFFAOYSA-N 1 0 359.499 2.120 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2c(C)cccn2c1=O ZINC000015962667 220173190 /nfs/dbraw/zinc/17/31/90/220173190.db2.gz YYXCXSSGNJZPJH-HNNXBMFYSA-N 1 0 372.469 2.093 50 0 FEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C2 ZINC000073989188 542023451 /nfs/dbraw/zinc/02/34/51/542023451.db2.gz XOZUFRIAVPKQOY-RBUKOAKNSA-N 1 0 373.472 2.373 50 0 FEAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000076514253 542288559 /nfs/dbraw/zinc/28/85/59/542288559.db2.gz UUPNIZWZCNKHQU-SFHVURJKSA-N 1 0 374.529 2.254 50 0 FEAARO O=C(Nc1ccc(F)cc1F)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000076639476 542304404 /nfs/dbraw/zinc/30/44/04/542304404.db2.gz KYDQFCXIOAKMNJ-CQSZACIVSA-N 1 0 351.397 2.284 50 0 FEAARO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH3+] ZINC000077338087 542368446 /nfs/dbraw/zinc/36/84/46/542368446.db2.gz SUJXARIILBNQAG-OWQGQXMQSA-N 1 0 365.433 2.026 50 0 FEAARO Cc1cc(N2CCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)cc[nH+]1 ZINC000077339959 542369151 /nfs/dbraw/zinc/36/91/51/542369151.db2.gz YQZZFHYEWZLBDM-UHFFFAOYSA-N 1 0 353.348 2.484 50 0 FEAARO CSc1cccc(CNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)c1 ZINC000077486088 542387160 /nfs/dbraw/zinc/38/71/60/542387160.db2.gz MYRVPKCLPYASTJ-HNNXBMFYSA-N 1 0 359.499 2.462 50 0 FEAARO COC[C@@H](C)n1c(CCCC(=O)N(C)C2CC[NH2+]CC2)nc2cccnc21 ZINC000077489094 542388283 /nfs/dbraw/zinc/38/82/83/542388283.db2.gz DARYTUIRVJTWFL-OAHLLOKOSA-N 1 0 373.501 2.172 50 0 FEAARO O=C(CCc1nc2cc(F)ccc2[nH]1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077536960 542394249 /nfs/dbraw/zinc/39/42/49/542394249.db2.gz HRMKEIZDIAZLGD-FQEVSTJZSA-N 1 0 374.460 2.084 50 0 FEAARO O=C(CCc1nc2cc(F)ccc2[nH]1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077536963 542394395 /nfs/dbraw/zinc/39/43/95/542394395.db2.gz HRMKEIZDIAZLGD-HXUWFJFHSA-N 1 0 374.460 2.084 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)CN1CCSC1=O)c1cccc(OC)c1 ZINC000021071402 220350717 /nfs/dbraw/zinc/35/07/17/220350717.db2.gz OFMSGPYFYODSJB-MRXNPFEDSA-N 1 0 365.499 2.363 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021868513 220368340 /nfs/dbraw/zinc/36/83/40/220368340.db2.gz BPCKVFKVBJXINC-UHFFFAOYSA-N 1 0 372.421 2.124 50 0 FEAARO CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC)CC1 ZINC000022056622 220376066 /nfs/dbraw/zinc/37/60/66/220376066.db2.gz FCJXLDFVMXBQDF-FUHWJXTLSA-N 1 0 361.486 2.492 50 0 FEAARO C[NH+]1CCN(CCC2N=NC(=S)N2c2cccc3ccccc32)CC1 ZINC000022590886 220391790 /nfs/dbraw/zinc/39/17/90/220391790.db2.gz ZMGKUXISUTVVET-UHFFFAOYSA-N 1 0 353.495 2.499 50 0 FEAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)no1 ZINC000023127513 220412962 /nfs/dbraw/zinc/41/29/62/220412962.db2.gz ABLFUAMZYKNBDB-UHFFFAOYSA-N 1 0 362.455 2.011 50 0 FEAARO O=C([C@@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000048264549 221004470 /nfs/dbraw/zinc/00/44/70/221004470.db2.gz RJMRDZHDHJSIAO-HNNXBMFYSA-N 1 0 358.360 2.408 50 0 FEAARO CC[NH+](CC)CCN(CC(C)C)C(=O)CCn1nnc2ccccc2c1=O ZINC000048964986 221016243 /nfs/dbraw/zinc/01/62/43/221016243.db2.gz AKERIUFVIAOBDN-UHFFFAOYSA-N 1 0 373.501 2.008 50 0 FEAARO O=C(NCCCN1CCCC1=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000053492815 221045860 /nfs/dbraw/zinc/04/58/60/221045860.db2.gz XVZHNOABXODOSC-MRXNPFEDSA-N 1 0 362.474 2.118 50 0 FEAARO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000056201279 221079073 /nfs/dbraw/zinc/07/90/73/221079073.db2.gz ZQYFGDXKQPPWDI-KBPBESRZSA-N 1 0 356.426 2.155 50 0 FEAARO CCOC(=O)CN(C)c1ncc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cn1 ZINC000055371014 221067266 /nfs/dbraw/zinc/06/72/66/221067266.db2.gz DAMACTWHGVMWJP-CQSZACIVSA-N 1 0 370.453 2.089 50 0 FEAARO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000058162396 221100915 /nfs/dbraw/zinc/10/09/15/221100915.db2.gz VYWYDQAHTSWRJA-LLVKDONJSA-N 1 0 367.858 2.104 50 0 FEAARO C[NH+](C)C[C@H]1CCCN(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000058203074 221106392 /nfs/dbraw/zinc/10/63/92/221106392.db2.gz UOPLAEPFYSSDBC-LLVKDONJSA-N 1 0 366.849 2.476 50 0 FEAARO CC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000058215649 221108346 /nfs/dbraw/zinc/10/83/46/221108346.db2.gz ZBGNKOXZDBBAHZ-WOJBJXKFSA-N 1 0 357.498 2.416 50 0 FEAARO CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccccc2O)CC1 ZINC000058087146 221098462 /nfs/dbraw/zinc/09/84/62/221098462.db2.gz SKJIMOUZUBESGT-UHFFFAOYSA-N 1 0 363.458 2.065 50 0 FEAARO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000058293873 221114017 /nfs/dbraw/zinc/11/40/17/221114017.db2.gz NSLGDHXYFRFUBF-SFHVURJKSA-N 1 0 369.465 2.396 50 0 FEAARO Cc1ccc(NC(=O)C[NH2+]C[C@@H](c2ccccn2)N2CCOCC2)cc1C ZINC000065371172 221204324 /nfs/dbraw/zinc/20/43/24/221204324.db2.gz CNMNFHMOMCTMOG-FQEVSTJZSA-N 1 0 368.481 2.300 50 0 FEAARO Cc1nc2ccc(C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc2nc1C ZINC000065410063 221216250 /nfs/dbraw/zinc/21/62/50/221216250.db2.gz FRZVFNFNWRLSPB-KRWDZBQOSA-N 1 0 356.470 2.429 50 0 FEAARO C[C@@H](Cn1cccn1)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065456256 221221290 /nfs/dbraw/zinc/22/12/90/221221290.db2.gz GVFPYCOYGATOTB-AWEZNQCLSA-N 1 0 362.861 2.242 50 0 FEAARO Cc1ncsc1Cn1nc(CC2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000065467302 221223165 /nfs/dbraw/zinc/22/31/65/221223165.db2.gz GJBKXSIDWQFXBO-UHFFFAOYSA-N 1 0 369.494 2.389 50 0 FEAARO C[C@@H]1CN(C(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)C[C@H](C)O1 ZINC000065488752 221224350 /nfs/dbraw/zinc/22/43/50/221224350.db2.gz LPXGNBSAEYLAIW-OKILXGFUSA-N 1 0 352.862 2.477 50 0 FEAARO CC(C)n1ccnc1Cn1nc(C2CC[NH2+]CC2)n(-c2ccccc2)c1=O ZINC000067491344 221257457 /nfs/dbraw/zinc/25/74/57/221257457.db2.gz XJORPWLUDSIYRT-UHFFFAOYSA-N 1 0 366.469 2.327 50 0 FEAARO [NH3+]C1(C(=O)NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)CC1 ZINC000067674968 221269480 /nfs/dbraw/zinc/26/94/80/221269480.db2.gz MMVFECOLINVKAS-UHFFFAOYSA-N 1 0 351.385 2.385 50 0 FEAARO CSc1ccc2cc(CN3CCC([N@H+](C)CCO)CC3)c(=O)[nH]c2c1 ZINC000067688903 221270997 /nfs/dbraw/zinc/27/09/97/221270997.db2.gz AIOFWGKBIJCCIM-UHFFFAOYSA-N 1 0 361.511 2.139 50 0 FEAARO COc1cccc(C[C@]2(C3CC[NH2+]CC3)NC(=O)N(CC=C(C)C)C2=O)c1 ZINC000067694726 221273783 /nfs/dbraw/zinc/27/37/83/221273783.db2.gz XLJZWXALFIXNLK-OAQYLSRUSA-N 1 0 371.481 2.494 50 0 FEAARO CCC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2sc(C)nc2C)C1=O ZINC000067713331 221274539 /nfs/dbraw/zinc/27/45/39/221274539.db2.gz CINLYEYGYRCLBN-KRWDZBQOSA-N 1 0 350.488 2.350 50 0 FEAARO Cc1cccc(C)c1N[C@H](C)C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067805836 221288833 /nfs/dbraw/zinc/28/88/33/221288833.db2.gz WVRYLZXXESNQFJ-GOSISDBHSA-N 1 0 358.530 2.342 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(-c2cccc(OC)c2)c1 ZINC000067820107 221289496 /nfs/dbraw/zinc/28/94/96/221289496.db2.gz IFRDMGOQESAYOM-HKUYNNGSSA-N 1 0 367.449 2.040 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1oc2cc(OC)ccc2c1C ZINC000067787493 221285444 /nfs/dbraw/zinc/28/54/44/221285444.db2.gz MVCUCOQHEWQHRE-CJNGLKHVSA-N 1 0 373.453 2.160 50 0 FEAARO O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000067842021 221292298 /nfs/dbraw/zinc/29/22/98/221292298.db2.gz LWKGITVTYGKGBA-CLCXNKSOSA-N 1 0 369.513 2.176 50 0 FEAARO O=C(c1cc(CN2CCc3ccccc3C2)on1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000067884661 221301582 /nfs/dbraw/zinc/30/15/82/221301582.db2.gz SAPZYHUBKKMPMF-MSOLQXFVSA-N 1 0 366.465 2.199 50 0 FEAARO COc1ccc(Cl)c(CN2CCC3(CC2)C(=O)NCCC[N@H+]3C)c1F ZINC000067894805 221302763 /nfs/dbraw/zinc/30/27/63/221302763.db2.gz RAGPLTRVTWFVFQ-UHFFFAOYSA-N 1 0 369.868 2.274 50 0 FEAARO CCN(CC)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000069920878 221328351 /nfs/dbraw/zinc/32/83/51/221328351.db2.gz VSJWWONGYOGGSE-HNNXBMFYSA-N 1 0 369.531 2.177 50 0 FEAARO Cc1cccn2c(CN3CC[C@@H]([NH+](C)C)C3)c(C(=O)N3CCCCC3)nc12 ZINC000071523739 221350408 /nfs/dbraw/zinc/35/04/08/221350408.db2.gz APVJCKUZLRZJTF-QGZVFWFLSA-N 1 0 369.513 2.405 50 0 FEAARO CC(C)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071498348 221350984 /nfs/dbraw/zinc/35/09/84/221350984.db2.gz HOZYQYNYUXEXMD-GOSISDBHSA-N 1 0 372.513 2.057 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N2CCC[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000071761572 221367995 /nfs/dbraw/zinc/36/79/95/221367995.db2.gz GEMPPWJYXWMLIR-AWEZNQCLSA-N 1 0 358.442 2.164 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1 ZINC000071824172 221380688 /nfs/dbraw/zinc/38/06/88/221380688.db2.gz XEKQIXSVRKZQAE-CYBMUJFWSA-N 1 0 361.364 2.084 50 0 FEAARO Cn1ncc2c1nc(C(C)(C)C)nc2NCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000072163670 221440433 /nfs/dbraw/zinc/44/04/33/221440433.db2.gz UUVUVACJSVLASE-AWEZNQCLSA-N 1 0 360.506 2.167 50 0 FEAARO Cc1nc([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc(N2CCCC2)n1 ZINC000072427103 221516844 /nfs/dbraw/zinc/51/68/44/221516844.db2.gz FGNLILKNVIWYCK-QGZVFWFLSA-N 1 0 357.502 2.187 50 0 FEAARO [NH3+]CCCCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072428794 221520043 /nfs/dbraw/zinc/52/00/43/221520043.db2.gz GDCNRHDGBKODAT-NRFANRHFSA-N 1 0 372.513 2.332 50 0 FEAARO Cc1csc2c1ncnc2N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091689915 132202957 /nfs/dbraw/zinc/20/29/57/132202957.db2.gz KZCSBUUOPKWFQV-SFHVURJKSA-N 1 0 359.499 2.133 50 0 FEAARO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000095354890 132207241 /nfs/dbraw/zinc/20/72/41/132207241.db2.gz LVAVCKMXGDMSAM-UHFFFAOYSA-N 1 0 357.502 2.170 50 0 FEAARO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCc1ccncc1 ZINC000095454724 132211266 /nfs/dbraw/zinc/21/12/66/132211266.db2.gz OFBFGHHSPIAEDT-KRWDZBQOSA-N 1 0 368.481 2.420 50 0 FEAARO O=C([C@H]1CC[NH2+]C1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000237706606 132248364 /nfs/dbraw/zinc/24/83/64/132248364.db2.gz GFKDLTNHDVPXGV-JTQLQIEISA-N 1 0 362.783 2.012 50 0 FEAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000237893042 132248406 /nfs/dbraw/zinc/24/84/06/132248406.db2.gz YWKHADZMWBWONR-GXTWGEPZSA-N 1 0 367.291 2.010 50 0 FEAARO Cc1c(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)nnn1C1CC[NH2+]CC1 ZINC000237759536 132248546 /nfs/dbraw/zinc/24/85/46/132248546.db2.gz UWUDDMBVZZNPKE-NSHDSACASA-N 1 0 359.405 2.078 50 0 FEAARO Cc1nnc(CCNC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000218923585 132273711 /nfs/dbraw/zinc/27/37/11/132273711.db2.gz SZXMRURLFCUESP-UHFFFAOYSA-N 1 0 373.526 2.026 50 0 FEAARO Cc1cccc(N2CCC([N@@H+]3CCCn4nc([C@@H](O)CO)cc4C3)CC2)c1 ZINC000219158858 132274041 /nfs/dbraw/zinc/27/40/41/132274041.db2.gz XVLJDIRNNCQMSD-NRFANRHFSA-N 1 0 370.497 2.092 50 0 FEAARO CCc1cnc(C)nc1N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230158064 132288571 /nfs/dbraw/zinc/28/85/71/132288571.db2.gz ZYXZPKPVHYIUMZ-OAQYLSRUSA-N 1 0 371.529 2.261 50 0 FEAARO CC[C@@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCC(C)CC2)C1=O ZINC000002934250 132384390 /nfs/dbraw/zinc/38/43/90/132384390.db2.gz NBILHXUPEFOCQE-SFHVURJKSA-N 1 0 373.497 2.429 50 0 FEAARO O=C(C[NH2+]C1Cc2ccccc2C1)Nc1ccccc1N1CCOCC1 ZINC000004333824 132386815 /nfs/dbraw/zinc/38/68/15/132386815.db2.gz OPVUCAPJMUJJEM-UHFFFAOYSA-N 1 0 351.450 2.219 50 0 FEAARO CCC[NH+]1CCC(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(C)=O)C2)CC1 ZINC000091350882 542805406 /nfs/dbraw/zinc/80/54/06/542805406.db2.gz HDSJWAUZLVFJKN-LEWJYISDSA-N 1 0 359.514 2.474 50 0 FEAARO CN(C)c1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c1 ZINC000091434549 542807061 /nfs/dbraw/zinc/80/70/61/542807061.db2.gz ADCOIACOKILTDP-OXJNMPFZSA-N 1 0 357.498 2.468 50 0 FEAARO Cc1ccc(-c2cc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)[nH]n2)s1 ZINC000091619815 542816232 /nfs/dbraw/zinc/81/62/32/542816232.db2.gz BJJXTMNGUYWCDP-HOTGVXAUSA-N 1 0 360.483 2.430 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)c(C)o1 ZINC000091769207 542824710 /nfs/dbraw/zinc/82/47/10/542824710.db2.gz MOMPFNNHGITISU-QGZVFWFLSA-N 1 0 373.497 2.445 50 0 FEAARO C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1 ZINC000091690969 542820704 /nfs/dbraw/zinc/82/07/04/542820704.db2.gz UCZSQWZSMVBAHB-HIHZZFLASA-N 1 0 370.497 2.062 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1sc(NC)nc1C)CC2 ZINC000091694114 542820771 /nfs/dbraw/zinc/82/07/71/542820771.db2.gz KRFLQYXLUFLHQI-UHFFFAOYSA-N 1 0 374.514 2.226 50 0 FEAARO CCOC(=O)N1CCC([N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)CC1 ZINC000091645630 542817966 /nfs/dbraw/zinc/81/79/66/542817966.db2.gz KHZAMNWPXQFIDS-FQEVSTJZSA-N 1 0 363.502 2.332 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)Cc3cnc4c(C)cccn34)C[C@@H]2[NH3+])cc1 ZINC000092065462 542842384 /nfs/dbraw/zinc/84/23/84/542842384.db2.gz XMSPECQLEOIURI-MOPGFXCFSA-N 1 0 364.449 2.147 50 0 FEAARO Cc1ccccc1C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091933409 542833201 /nfs/dbraw/zinc/83/32/01/542833201.db2.gz HHGCETHIHRHQSL-UHFFFAOYSA-N 1 0 357.498 2.401 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091952158 542834109 /nfs/dbraw/zinc/83/41/09/542834109.db2.gz QRMVRMUZSRXNMJ-HUUCEWRRSA-N 1 0 368.424 2.454 50 0 FEAARO COCC(=O)N[C@H]1C[N@H+](Cc2ccc(OC)c(Cl)c2)C[C@@H]1C1CC1 ZINC000092002311 542835837 /nfs/dbraw/zinc/83/58/37/542835837.db2.gz MULKSGIFNKFKJU-ZBFHGGJFSA-N 1 0 352.862 2.322 50 0 FEAARO C[C@H](CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000092099115 542846002 /nfs/dbraw/zinc/84/60/02/542846002.db2.gz IRNKDMCZLPMFPU-MRXNPFEDSA-N 1 0 365.905 2.095 50 0 FEAARO c1ccc(OCc2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000055154254 136126139 /nfs/dbraw/zinc/12/61/39/136126139.db2.gz MQPOXTGTPPMTQU-UHFFFAOYSA-N 1 0 351.410 2.366 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799713 136133782 /nfs/dbraw/zinc/13/37/82/136133782.db2.gz OYYXFNYTPJTTTF-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO O=C(NCc1cccnc1N1CCOCC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000067690689 136137390 /nfs/dbraw/zinc/13/73/90/136137390.db2.gz AWVVLONSWKCNMQ-HNNXBMFYSA-N 1 0 372.494 2.334 50 0 FEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071754489 136140376 /nfs/dbraw/zinc/14/03/76/136140376.db2.gz AGWRVDQRYOWNNZ-GOSISDBHSA-N 1 0 371.529 2.397 50 0 FEAARO O[C@@H]1CCC[N@@H+](C2CCN(c3nccc(CCC(F)(F)F)n3)CC2)C1 ZINC000071758980 136140569 /nfs/dbraw/zinc/14/05/69/136140569.db2.gz WRXHFNYCALLBFO-OAHLLOKOSA-N 1 0 358.408 2.397 50 0 FEAARO Cn1ncc2c1nc(CCc1ccccc1)nc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072157937 136143121 /nfs/dbraw/zinc/14/31/21/136143121.db2.gz WYVDZHSFNJGTHD-QGZVFWFLSA-N 1 0 362.481 2.433 50 0 FEAARO Cc1cccc(N2CCN(CC(=O)N3CCC[C@H]([NH+](C)C)CC3)CC2)c1 ZINC000072165741 136143475 /nfs/dbraw/zinc/14/34/75/136143475.db2.gz YZCDUIZLHUAGDL-IBGZPJMESA-N 1 0 358.530 2.060 50 0 FEAARO Cc1nc(C2CC[NH+](CC[C@@H]3CCOC3)CC2)cc(N2CCOCC2)n1 ZINC000072478293 136149612 /nfs/dbraw/zinc/14/96/12/136149612.db2.gz MUSWMKKXYJIGLR-QGZVFWFLSA-N 1 0 360.502 2.228 50 0 FEAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc3nonc32)C1 ZINC000095373295 542964063 /nfs/dbraw/zinc/96/40/63/542964063.db2.gz FTMCLRWBBHKGLM-GOEBONIOSA-N 1 0 352.442 2.351 50 0 FEAARO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000095356815 542957973 /nfs/dbraw/zinc/95/79/73/542957973.db2.gz JUKPZWCOJIADMO-IEBWSBKVSA-N 1 0 353.470 2.450 50 0 FEAARO O=C(N1CCCC1)N1CC[C@]2(O)CC[N@@H+](CCOc3ccccc3)C[C@@H]2C1 ZINC000095358758 542958928 /nfs/dbraw/zinc/95/89/28/542958928.db2.gz MKFVLWBADRBKKY-WIYYLYMNSA-N 1 0 373.497 2.040 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000095357746 542959018 /nfs/dbraw/zinc/95/90/18/542959018.db2.gz OKJXQIOQKYSFHP-GOSISDBHSA-N 1 0 360.502 2.013 50 0 FEAARO CN(Cc1ccc2nonc2c1)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095359827 542959487 /nfs/dbraw/zinc/95/94/87/542959487.db2.gz QFSGUSONNUVYSB-HNNXBMFYSA-N 1 0 358.442 2.072 50 0 FEAARO Nc1nc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cs1 ZINC000095357172 542959549 /nfs/dbraw/zinc/95/95/49/542959549.db2.gz SYOPCRJRSGTCAG-DOTOQJQBSA-N 1 0 371.510 2.176 50 0 FEAARO COCCc1noc([C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000095361868 542960282 /nfs/dbraw/zinc/96/02/82/542960282.db2.gz GMCFIAKIKQABJW-MRXNPFEDSA-N 1 0 364.490 2.085 50 0 FEAARO Cc1ccccc1CSc1nc(N)cc(NC[C@@]2(O)CCC[NH2+]C2)n1 ZINC000095385113 542965949 /nfs/dbraw/zinc/96/59/49/542965949.db2.gz BAUISHVBOQWZFC-GOSISDBHSA-N 1 0 359.499 2.186 50 0 FEAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000095392419 542967913 /nfs/dbraw/zinc/96/79/13/542967913.db2.gz NWKFHZHJFUCJJQ-INIZCTEOSA-N 1 0 350.894 2.254 50 0 FEAARO COCCCN1CC2(CC1=O)CC[NH+](C[C@H]1COc3ccccc3O1)CC2 ZINC000095391880 542968065 /nfs/dbraw/zinc/96/80/65/542968065.db2.gz OWTQTTICDRWMID-KRWDZBQOSA-N 1 0 374.481 2.177 50 0 FEAARO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000095405503 542969208 /nfs/dbraw/zinc/96/92/08/542969208.db2.gz LMYUNWIWWZCBBP-INIZCTEOSA-N 1 0 352.523 2.197 50 0 FEAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc1=O ZINC000095518786 542978570 /nfs/dbraw/zinc/97/85/70/542978570.db2.gz HSAUFTDWFXLNEI-CQSZACIVSA-N 1 0 373.428 2.165 50 0 FEAARO O=C(C[NH+]1CCC(Cc2cccnc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000095458267 542970725 /nfs/dbraw/zinc/97/07/25/542970725.db2.gz WOAJQACTKJIINU-UHFFFAOYSA-N 1 0 367.449 2.381 50 0 FEAARO Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1O ZINC000095510660 542976684 /nfs/dbraw/zinc/97/66/84/542976684.db2.gz BACXCGIOSPSVJS-INIZCTEOSA-N 1 0 356.470 2.479 50 0 FEAARO CCn1nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)ccc1=O ZINC000095956683 542984743 /nfs/dbraw/zinc/98/47/43/542984743.db2.gz ZAHVVWYMTOHICK-UHFFFAOYSA-N 1 0 358.467 2.064 50 0 FEAARO O=C(COc1ncnc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095524103 542979880 /nfs/dbraw/zinc/97/98/80/542979880.db2.gz LOCOKGQOXRUQDA-IAGOWNOFSA-N 1 0 366.465 2.341 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000095521138 542980178 /nfs/dbraw/zinc/98/01/78/542980178.db2.gz IACZIQORJQLLTI-INIZCTEOSA-N 1 0 374.460 2.369 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cc(C)ccc2C)C[N@@H+]1C1CCCC1 ZINC000097528000 543013144 /nfs/dbraw/zinc/01/31/44/543013144.db2.gz DPCXRWLRFOUFMX-ICSRJNTNSA-N 1 0 371.525 2.484 50 0 FEAARO C[N@H+](CCO)C1CCN(C(=O)/C=C/c2ccccc2Br)CC1 ZINC000095444581 221905331 /nfs/dbraw/zinc/90/53/31/221905331.db2.gz SYVNXPRYRISIAW-VOTSOKGWSA-N 1 0 367.287 2.377 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000095507814 221934689 /nfs/dbraw/zinc/93/46/89/221934689.db2.gz ZILTYQHNOVZLMR-GOSISDBHSA-N 1 0 370.497 2.489 50 0 FEAARO COc1ccc([C@@H]2C[N@H+](Cc3cccc4nonc43)C[C@H]2NC(C)=O)cc1 ZINC000095517492 221942204 /nfs/dbraw/zinc/94/22/04/221942204.db2.gz YMRBVWRYQOILTH-PKOBYXMFSA-N 1 0 366.421 2.336 50 0 FEAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CO)CC1 ZINC000095517626 221942674 /nfs/dbraw/zinc/94/26/74/221942674.db2.gz XTCHAJLWPGLKMC-FQEVSTJZSA-N 1 0 360.498 2.207 50 0 FEAARO NC(=O)Cc1nc([C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(CCc2ccccc2)n1 ZINC000096131789 222036271 /nfs/dbraw/zinc/03/62/71/222036271.db2.gz RZYQDSUTALHRII-QZTJIDSGSA-N 1 0 367.497 2.281 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C)C[N@@H+]1C1CCCC1 ZINC000096132068 222037761 /nfs/dbraw/zinc/03/77/61/222037761.db2.gz NVHRNQJOOWZVLC-QAPCUYQASA-N 1 0 360.502 2.009 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCCn1cccn1)CC2 ZINC000096153397 222055314 /nfs/dbraw/zinc/05/53/14/222055314.db2.gz OTVXONIRYHMZBG-UHFFFAOYSA-N 1 0 370.501 2.172 50 0 FEAARO Cn1c(C(=O)NCc2cc3n(n2)CCC[NH2+]C3)cc2ccc(Cl)cc21 ZINC000097155634 222164366 /nfs/dbraw/zinc/16/43/66/222164366.db2.gz YZMUKBWOOLXWKW-UHFFFAOYSA-N 1 0 357.845 2.452 50 0 FEAARO Cn1cc(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)ccc1=O ZINC000097527226 222188724 /nfs/dbraw/zinc/18/87/24/222188724.db2.gz FFESEUSYLHOIGJ-UHFFFAOYSA-N 1 0 353.466 2.070 50 0 FEAARO Cn1cc(C[N@@H+]2CCCO[C@@H](CN3CCOCC3)C2)c(-c2ccccc2)n1 ZINC000097610271 222198847 /nfs/dbraw/zinc/19/88/47/222198847.db2.gz VYPJKEUWEFWUQZ-FQEVSTJZSA-N 1 0 370.497 2.010 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3C)C[C@H]2CCO)cc1C ZINC000104461808 222357396 /nfs/dbraw/zinc/35/73/96/222357396.db2.gz GGSCOGREERFVQA-HXUWFJFHSA-N 1 0 372.513 2.114 50 0 FEAARO C[C@H](OCC(F)(F)F)C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000106077281 222382544 /nfs/dbraw/zinc/38/25/44/222382544.db2.gz NSYBLNQPKDYRCU-HOCLYGCPSA-N 1 0 373.419 2.059 50 0 FEAARO Cc1c2cc(F)ccc2[nH]c1CN1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107406689 222394063 /nfs/dbraw/zinc/39/40/63/222394063.db2.gz BEPZTVGDAAATRC-HXUWFJFHSA-N 1 0 358.461 2.402 50 0 FEAARO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC[N@@H+]1C[C@H](C)O ZINC000107510241 222395475 /nfs/dbraw/zinc/39/54/75/222395475.db2.gz WPLPWEWYSRKVMJ-SWLSCSKDSA-N 1 0 366.437 2.093 50 0 FEAARO C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C[C@@H](C)[NH2+]1 ZINC000153816845 544828212 /nfs/dbraw/zinc/82/82/12/544828212.db2.gz IYKNQWUSMHCPNO-HUUCEWRRSA-N 1 0 367.449 2.187 50 0 FEAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000004061088 263331123 /nfs/dbraw/zinc/33/11/23/263331123.db2.gz ZPLMXWQEGZCBRV-LIRRHRJNSA-N 1 0 369.465 2.469 50 0 biogenic FEAARO CC[NH+](CC)CCCNC(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O ZINC000004961716 263337371 /nfs/dbraw/zinc/33/73/71/263337371.db2.gz FWCDCYWKRZMHSS-UHFFFAOYSA-N 1 0 370.453 2.299 50 0 FEAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000018195411 263373285 /nfs/dbraw/zinc/37/32/85/263373285.db2.gz DEMMFMMFDZDBPS-QGZVFWFLSA-N 1 0 355.369 2.206 50 0 FEAARO CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(OCC)cc23)CC1 ZINC000020446817 263379952 /nfs/dbraw/zinc/37/99/52/263379952.db2.gz NWGKWVWIOWRYEI-UHFFFAOYSA-N 1 0 360.410 2.466 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(Cc2ccccc2)C2CC2)C1 ZINC000025220510 263388717 /nfs/dbraw/zinc/38/87/17/263388717.db2.gz DXEGBYAFQMLDCT-HXUWFJFHSA-N 1 0 359.514 2.124 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCc1nc2ccccc2s1 ZINC000426668366 263654060 /nfs/dbraw/zinc/65/40/60/263654060.db2.gz NVOIXJFRGRPNHD-AWEZNQCLSA-N 1 0 369.494 2.319 50 0 FEAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3C(=O)NCC[C@H]3C)cc2)C1 ZINC000193781846 328395063 /nfs/dbraw/zinc/39/50/63/328395063.db2.gz LPNMDWJLJJQHOW-GPMSIDNRSA-N 1 0 372.513 2.242 50 0 FEAARO O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000238111615 328541303 /nfs/dbraw/zinc/54/13/03/328541303.db2.gz JWUZVRJBGKSNSF-HOTGVXAUSA-N 1 0 365.433 2.310 50 0 FEAARO O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000238106440 328541422 /nfs/dbraw/zinc/54/14/22/328541422.db2.gz JWUZVRJBGKSNSF-HZPDHXFCSA-N 1 0 365.433 2.310 50 0 FEAARO Cc1cc2nc(CCC(=O)NCC[N@@H+]3CCCC[C@H]3CO)[nH]c2cc1C ZINC000299769083 534132723 /nfs/dbraw/zinc/13/27/23/534132723.db2.gz IYGCWXSAJVLQPI-INIZCTEOSA-N 1 0 358.486 2.075 50 0 FEAARO Cc1ccn2cc(-c3ccc(NC(=O)NC[C@]4(O)CC[NH2+]C4)cc3)nc2c1 ZINC000299799705 534353623 /nfs/dbraw/zinc/35/36/23/534353623.db2.gz YOYQTVDRCMQIIR-FQEVSTJZSA-N 1 0 365.437 2.156 50 0 FEAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3cn4cccnc4n3)C[C@H]21 ZINC000248622217 518837626 /nfs/dbraw/zinc/83/76/26/518837626.db2.gz TYWDASLHSNUNKK-NUEKZKHPSA-N 1 0 357.458 2.464 50 0 FEAARO O=C(NCCSc1nc[nH]n1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299765455 534402958 /nfs/dbraw/zinc/40/29/58/534402958.db2.gz BAEGLPUKCYCJCG-XHSDSOJGSA-N 1 0 357.483 2.239 50 0 FEAARO Cc1nc(Cl)ccc1NC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000299772425 534431228 /nfs/dbraw/zinc/43/12/28/534431228.db2.gz XHCVJUOBKIMCSC-UHFFFAOYSA-N 1 0 352.866 2.498 50 0 FEAARO CC(C)CCC[C@H]1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)CCO1 ZINC000244701074 519648525 /nfs/dbraw/zinc/64/85/25/519648525.db2.gz JZSHQQPGSPGTGP-BBWFWOEESA-N 1 0 363.506 2.388 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccsc1 ZINC000089967768 520864282 /nfs/dbraw/zinc/86/42/82/520864282.db2.gz LLSLCJLTBKDMOH-GDBMZVCRSA-N 1 0 361.515 2.410 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)CC1 ZINC000019791407 521674505 /nfs/dbraw/zinc/67/45/05/521674505.db2.gz BGFOMDOLZOIVJS-INIZCTEOSA-N 1 0 366.456 2.005 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000178974970 522057030 /nfs/dbraw/zinc/05/70/30/522057030.db2.gz OPHRIMZRDQHJHW-LBPRGKRZSA-N 1 0 363.259 2.316 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000178962236 522091210 /nfs/dbraw/zinc/09/12/10/522091210.db2.gz OISVPMHKBHIRKS-SNVBAGLBSA-N 1 0 357.248 2.148 50 0 FEAARO C[NH2+]Cc1cn(C[C@@H]2CCCN(C(=O)c3scc4c3CCCC4)C2)nn1 ZINC000082039638 522146153 /nfs/dbraw/zinc/14/61/53/522146153.db2.gz FAWAUUVXTHGSFK-CQSZACIVSA-N 1 0 373.526 2.490 50 0 FEAARO C[NH2+]Cc1cn(C[C@H]2CCCN(C(=O)c3scc4c3CCCC4)C2)nn1 ZINC000082039639 522147062 /nfs/dbraw/zinc/14/70/62/522147062.db2.gz FAWAUUVXTHGSFK-AWEZNQCLSA-N 1 0 373.526 2.490 50 0 FEAARO C[N@@H+]1CCN(CCOc2ccccc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091254530 523904633 /nfs/dbraw/zinc/90/46/33/523904633.db2.gz PYUSRFYMFWRHAK-QFIPXVFZSA-N 1 0 371.525 2.474 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000020481476 523977652 /nfs/dbraw/zinc/97/76/52/523977652.db2.gz AGUOGPHCHCRQIM-KRWDZBQOSA-N 1 0 368.433 2.164 50 0 FEAARO C[C@H]1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000153261094 524542373 /nfs/dbraw/zinc/54/23/73/524542373.db2.gz USRYMLBVXXGGOR-HOTGVXAUSA-N 1 0 372.490 2.483 50 0 FEAARO Cc1n[nH]c(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)c1C ZINC000091665167 525474048 /nfs/dbraw/zinc/47/40/48/525474048.db2.gz TYIXZJZFZXTBPU-RBUKOAKNSA-N 1 0 367.497 2.477 50 0 FEAARO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)nnn1C1CC[NH2+]CC1 ZINC000150872080 525636023 /nfs/dbraw/zinc/63/60/23/525636023.db2.gz RDQBLTAEEOKJKS-CHWSQXEVSA-N 1 0 359.396 2.362 50 0 FEAARO Cc1c(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)nnn1C1CC[NH2+]CC1 ZINC000150872114 525646972 /nfs/dbraw/zinc/64/69/72/525646972.db2.gz RDQBLTAEEOKJKS-OLZOCXBDSA-N 1 0 359.396 2.362 50 0 FEAARO C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000091410438 525931806 /nfs/dbraw/zinc/93/18/06/525931806.db2.gz UJHXZEKBHPSPCW-CQSZACIVSA-N 1 0 368.424 2.303 50 0 FEAARO Cc1ccc2[nH]c(C[NH2+]Cc3ccc4c(c3)n(C)c(=O)n4C)cc(=O)c2c1 ZINC000091657208 526102221 /nfs/dbraw/zinc/10/22/21/526102221.db2.gz LQUYOJXZFFESIT-UHFFFAOYSA-N 1 0 362.433 2.317 50 0 FEAARO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020169602 526317391 /nfs/dbraw/zinc/31/73/91/526317391.db2.gz LKGLQJRHXYZONS-UHFFFAOYSA-N 1 0 365.905 2.000 50 0 FEAARO O=C(c1ccc(N2CCOCC2)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091460669 526699954 /nfs/dbraw/zinc/69/99/54/526699954.db2.gz RVAJKWGHOPUPJH-WIYYLYMNSA-N 1 0 369.509 2.470 50 0 FEAARO NC(=O)c1cc2c(cc1N1CCCC1)NC(=O)C[C@@H]2[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244735097 527034983 /nfs/dbraw/zinc/03/49/83/527034983.db2.gz NTACGSOOYOIZKI-HZSPNIEDSA-N 1 0 356.470 2.329 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000158182990 527399571 /nfs/dbraw/zinc/39/95/71/527399571.db2.gz CBAXPFPEQFRKAH-JTQLQIEISA-N 1 0 350.216 2.266 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCCN(c4ccccc4)CC3)nn2)CC1 ZINC000244719070 527412895 /nfs/dbraw/zinc/41/28/95/527412895.db2.gz LWJMOPFLAVPACL-MAEOIBBWSA-N 1 0 368.485 2.073 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[C@H](Cc4ccccc4)C3)nn2)CC1 ZINC000244763865 527413033 /nfs/dbraw/zinc/41/30/33/527413033.db2.gz OWUXHUXUHWXPES-KURKYZTESA-N 1 0 353.470 2.425 50 0 FEAARO Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000089505592 527596176 /nfs/dbraw/zinc/59/61/76/527596176.db2.gz OFVJXLCARDJEJB-UHFFFAOYSA-N 1 0 367.400 2.412 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNS(=O)(=O)c3cccc(C)c3)cc2C1 ZINC000299792623 528488782 /nfs/dbraw/zinc/48/87/82/528488782.db2.gz GINVPEDEXOXBSJ-UHFFFAOYSA-N 1 0 362.499 2.286 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N2CCN(c3ncnc(C)c3C)CC2)CC1 ZINC000095512748 535351300 /nfs/dbraw/zinc/35/13/00/535351300.db2.gz GBERNLNDXVLKRF-UHFFFAOYSA-N 1 0 359.518 2.254 50 0 FEAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](CCOC)C2)CC1 ZINC000097660555 535942794 /nfs/dbraw/zinc/94/27/94/535942794.db2.gz MJVBOYSAIVWRMP-LJQANCHMSA-N 1 0 359.514 2.256 50 0 FEAARO CCc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071763336 536019348 /nfs/dbraw/zinc/01/93/48/536019348.db2.gz BTZPNRNXLQJPDQ-QGZVFWFLSA-N 1 0 371.529 2.307 50 0 FEAARO CCC[C@H]1CN(c2ccc3nnc(C(C)(C)C)n3n2)CC[N@@H+]1CCOC ZINC000186277082 548111575 /nfs/dbraw/zinc/11/15/75/548111575.db2.gz UEQQDGPXYNNXGC-HNNXBMFYSA-N 1 0 360.506 2.359 50 0 FEAARO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000188015752 548269950 /nfs/dbraw/zinc/26/99/50/548269950.db2.gz VSTIIEODRVXQOY-UONOGXRCSA-N 1 0 354.882 2.153 50 0 FEAARO Cc1cc(C(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)c(=O)n(C)c1C ZINC000215088955 548668251 /nfs/dbraw/zinc/66/82/51/548668251.db2.gz VEMCOVBSHFOJON-UHFFFAOYSA-N 1 0 369.465 2.102 50 0 FEAARO O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000216464514 548677563 /nfs/dbraw/zinc/67/75/63/548677563.db2.gz LWKGITVTYGKGBA-WOLZGOLVSA-N 1 0 369.513 2.176 50 0 FEAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000216330607 548678069 /nfs/dbraw/zinc/67/80/69/548678069.db2.gz QHENKGZQQRZELM-HNNXBMFYSA-N 1 0 355.438 2.380 50 0 FEAARO COc1c(F)cccc1CN1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000218864679 548689854 /nfs/dbraw/zinc/68/98/54/548689854.db2.gz IACPOXMCVLBMLA-SFHVURJKSA-N 1 0 362.449 2.032 50 0 FEAARO CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1)N1CCOCC1 ZINC000218936173 548691874 /nfs/dbraw/zinc/69/18/74/548691874.db2.gz YGWJXUBDMQAJCG-IBGZPJMESA-N 1 0 359.514 2.441 50 0 FEAARO CN(C)[C@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1cccc(F)c1 ZINC000220465212 548701222 /nfs/dbraw/zinc/70/12/22/548701222.db2.gz CDKQYRROVYEDHK-IBGZPJMESA-N 1 0 363.477 2.188 50 0 FEAARO C[NH+](C)[C@H]1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1 ZINC000222743891 548712239 /nfs/dbraw/zinc/71/22/39/548712239.db2.gz COHMLEQHVMCXOY-INIZCTEOSA-N 1 0 364.511 2.064 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CN1CCC(c2ccccc2)CC1 ZINC000223185263 548717414 /nfs/dbraw/zinc/71/74/14/548717414.db2.gz UIKOLJURXGKGEL-PMACEKPBSA-N 1 0 359.514 2.090 50 0 FEAARO Nc1nc(NCCc2nccc(-c3ccccc3)n2)cc(C2CC([NH3+])C2)n1 ZINC000223608708 548721682 /nfs/dbraw/zinc/72/16/82/548721682.db2.gz HHQHUGSKFDQWGG-UHFFFAOYSA-N 1 0 361.453 2.375 50 0 FEAARO CC1(C)C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc2O1 ZINC000236690706 548773244 /nfs/dbraw/zinc/77/32/44/548773244.db2.gz MXNSNJVJYZSGSL-OAHLLOKOSA-N 1 0 355.442 2.235 50 0 FEAARO COc1ccccc1C[C@@H](C)N(C)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237199288 548808262 /nfs/dbraw/zinc/80/82/62/548808262.db2.gz DAFBMPDOAICDED-CQSZACIVSA-N 1 0 371.485 2.223 50 0 FEAARO C[NH2+]CC1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000237322702 548818147 /nfs/dbraw/zinc/81/81/47/548818147.db2.gz DTQNSZGANRXCSP-UHFFFAOYSA-N 1 0 350.459 2.103 50 0 FEAARO Cc1ncccc1C[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000237591946 548837519 /nfs/dbraw/zinc/83/75/19/548837519.db2.gz HZWUWNXGNYKWBE-UHFFFAOYSA-N 1 0 351.394 2.041 50 0 FEAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000237627590 548840768 /nfs/dbraw/zinc/84/07/68/548840768.db2.gz FHCFXNKOGYCOEE-CMPLNLGQSA-N 1 0 353.348 2.238 50 0 FEAARO Nc1nnc(CCNC(=O)c2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000244633625 548891606 /nfs/dbraw/zinc/89/16/06/548891606.db2.gz GGFDAVMDIMMPPZ-UHFFFAOYSA-N 1 0 359.499 2.469 50 0 FEAARO Cc1ccnc(C[C@H](C)[N@H+](C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000244734929 548893614 /nfs/dbraw/zinc/89/36/14/548893614.db2.gz NOCMUVXJISSNEA-AWEZNQCLSA-N 1 0 367.453 2.451 50 0 FEAARO c1ccc(OCCCN2CCOCC2)c(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000244778701 548895334 /nfs/dbraw/zinc/89/53/34/548895334.db2.gz PVACNMXZEDUZRS-UXHICEINSA-N 1 0 359.514 2.114 50 0 FEAARO C[C@@H](C(=O)NCCN1C(=O)CSC1=O)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000249701269 549617317 /nfs/dbraw/zinc/61/73/17/549617317.db2.gz YHOKXMFBWRKOIW-RYUDHWBXSA-N 1 0 367.496 2.085 50 0 FEAARO COc1ccccc1CCNC(=O)C[NH+]1CCC(Cn2ccnc2C)CC1 ZINC000252494864 549669770 /nfs/dbraw/zinc/66/97/70/549669770.db2.gz OGVJTCWFVSAXOR-UHFFFAOYSA-N 1 0 370.497 2.271 50 0 FEAARO Cc1cccc(C)c1NC(=O)N1CC[C@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000257190361 549714306 /nfs/dbraw/zinc/71/43/06/549714306.db2.gz MGKQGFCYDBUWTA-INIZCTEOSA-N 1 0 368.485 2.404 50 0 FEAARO CC(=O)N1CCC([C@H]2c3nccn3CCCN2Cc2cccnc2)CC1 ZINC000257190602 549714313 /nfs/dbraw/zinc/71/43/13/549714313.db2.gz NBNYJDVMKQRDRM-IBGZPJMESA-N 1 0 353.470 2.484 50 0 FEAARO COC[C@@H]1CC(F)(F)CN1C1CCN(C(=O)c2ncccc2F)CC1 ZINC000257189232 549714705 /nfs/dbraw/zinc/71/47/05/549714705.db2.gz HVDSQZRGXZFLAM-ZDUSSCGKSA-N 1 0 357.376 2.181 50 0 FEAARO CCn1cc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)nn3)CC2)cn1 ZINC000271039643 550334256 /nfs/dbraw/zinc/33/42/56/550334256.db2.gz FKFLZSNNCBYKDE-UHFFFAOYSA-N 1 0 354.380 2.424 50 0 FEAARO Cc1nn(C)c2sc(C(=O)N3CCC(n4ncc5c4C[NH2+]C5)CC3)cc12 ZINC000333578188 554624874 /nfs/dbraw/zinc/62/48/74/554624874.db2.gz NLDJKNDJJZPDOS-UHFFFAOYSA-N 1 0 370.482 2.220 50 0 FEAARO COc1ccc2oc(CN3CCCN(S(=O)(=O)C4CC4)CC3)cc2c1 ZINC000376587955 558194459 /nfs/dbraw/zinc/19/44/59/558194459.db2.gz AKMVKUSPJZILCY-UHFFFAOYSA-N 1 0 364.467 2.441 50 0 FEAARO COCC[N@@H+]1CCC[C@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 ZINC000426508184 559736218 /nfs/dbraw/zinc/73/62/18/559736218.db2.gz ZYGGAONEQSCLJS-QGZVFWFLSA-N 1 0 361.486 2.126 50 0 FEAARO Cc1cccc(C[NH+]2CCN(c3cc([C@H]4CCOC4)nc(N)n3)CC2)c1 ZINC000426509519 559736367 /nfs/dbraw/zinc/73/63/67/559736367.db2.gz RNDTZXAYMOUYMS-KRWDZBQOSA-N 1 0 353.470 2.193 50 0 FEAARO CC(C)[NH+]1CCC(CNC(=O)N(C)Cc2nc(-c3cccnc3)no2)CC1 ZINC000426538271 559737340 /nfs/dbraw/zinc/73/73/40/559737340.db2.gz CCPZPVUWVPYRKS-UHFFFAOYSA-N 1 0 372.473 2.393 50 0 FEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3c[nH]c(=O)[nH]c3=O)cc2)C1 ZINC000426549921 559737665 /nfs/dbraw/zinc/73/76/65/559737665.db2.gz KYNBSEILXBQQEO-ZDUSSCGKSA-N 1 0 368.437 2.254 50 0 FEAARO CN(C)C(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000426594770 559738630 /nfs/dbraw/zinc/73/86/30/559738630.db2.gz CHJBXOUNKUWFGG-OAQYLSRUSA-N 1 0 357.498 2.022 50 0 FEAARO Cc1cc(C)n(-c2cccc(-c3cc(N4CC[NH+](C)CC4)nc(N)n3)c2)n1 ZINC000426624896 559739195 /nfs/dbraw/zinc/73/91/95/559739195.db2.gz WPYSDTDUFLZCSS-UHFFFAOYSA-N 1 0 363.469 2.280 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)c2ccc(-c3cnc(N)nc3)cc2)CC1 ZINC000426668983 559740024 /nfs/dbraw/zinc/74/00/24/559740024.db2.gz JJTVHVHNCGYUFZ-UHFFFAOYSA-N 1 0 371.510 2.283 50 0 FEAARO COc1cc(C(=O)N2CCC(c3ncncc3C)CC2)ccc1OCC[NH3+] ZINC000426717037 559740809 /nfs/dbraw/zinc/74/08/09/559740809.db2.gz VCAYTJPPDVHJJC-UHFFFAOYSA-N 1 0 370.453 2.151 50 0 FEAARO Cc1ccc(-c2ccc(C(=O)N3CCOC[C@H](C[NH+](C)C)C3)cc2)nn1 ZINC000426724052 559741000 /nfs/dbraw/zinc/74/10/00/559741000.db2.gz VTZGVDUQWKXIDW-MRXNPFEDSA-N 1 0 354.454 2.102 50 0 FEAARO CCn1cnnc1CN(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000534653739 562539263 /nfs/dbraw/zinc/53/92/63/562539263.db2.gz HHKYMFBHAKVGTH-QGZVFWFLSA-N 1 0 370.501 2.270 50 0 FEAARO CNS(=O)(=O)Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000048040398 570933637 /nfs/dbraw/zinc/93/36/37/570933637.db2.gz KJPRVIPIVSCIKP-UHFFFAOYSA-N 1 0 370.478 2.416 50 0 FEAARO Cc1cc(=O)n2nc(N3CCC[N@H+](Cc4ccccc4)CC3)sc2n1 ZINC000048325247 570945901 /nfs/dbraw/zinc/94/59/01/570945901.db2.gz USICVCIQDVFBMF-UHFFFAOYSA-N 1 0 355.467 2.172 50 0 FEAARO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)nc1 ZINC000575616604 571169525 /nfs/dbraw/zinc/16/95/25/571169525.db2.gz RGQWRZJZUNBZDA-AWEZNQCLSA-N 1 0 357.376 2.331 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1csc(-c2cnccn2)n1 ZINC000426370447 571216102 /nfs/dbraw/zinc/21/61/02/571216102.db2.gz ZWFSDETZRKKTIG-UHFFFAOYSA-N 1 0 373.413 2.007 50 0 FEAARO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@@H](CO)[N@H+](C)C3)cc2)s1 ZINC000426377829 571216745 /nfs/dbraw/zinc/21/67/45/571216745.db2.gz ATEGSLPEOVXFBD-CVEARBPZSA-N 1 0 358.463 2.413 50 0 FEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1c[nH]nc1-c1ccccc1 ZINC000426408921 571221284 /nfs/dbraw/zinc/22/12/84/571221284.db2.gz JOQXSQCZFNYMPW-MRXNPFEDSA-N 1 0 364.453 2.057 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CC[C@](O)(c3ccccc3)C2)c1 ZINC000426421374 571223173 /nfs/dbraw/zinc/22/31/73/571223173.db2.gz YSAWJPJUCITYNZ-OAQYLSRUSA-N 1 0 370.449 2.157 50 0 FEAARO Cc1ccc(CNC(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)cc1F ZINC000426445198 571226181 /nfs/dbraw/zinc/22/61/81/571226181.db2.gz ZLANKDOWINUMAJ-UHFFFAOYSA-N 1 0 362.493 2.446 50 0 FEAARO Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000585139998 571232011 /nfs/dbraw/zinc/23/20/11/571232011.db2.gz CGJMRDZAJMSKLG-OKZBNKHCSA-N 1 0 363.502 2.215 50 0 FEAARO Cc1ccc(CN2CCN(C(=O)NC[C@H](C)[NH+]3CCCCC3)CC2=O)cc1 ZINC000584885490 571313680 /nfs/dbraw/zinc/31/36/80/571313680.db2.gz IDESVPUCSQPWEB-SFHVURJKSA-N 1 0 372.513 2.223 50 0 FEAARO Cc1cccc(OC2CN(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000584885384 571313712 /nfs/dbraw/zinc/31/37/12/571313712.db2.gz PISBUJYOQLYOSQ-CALCHBBNSA-N 1 0 361.486 2.267 50 0 FEAARO CCc1nnc(CN(C)C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)o1 ZINC000584887805 571314101 /nfs/dbraw/zinc/31/41/01/571314101.db2.gz FTIHFCYOAPPXEE-MRXNPFEDSA-N 1 0 372.473 2.396 50 0 FEAARO C[NH+](C)[C@H]1CCCN(C(=O)NCc2nc(Cc3cccs3)no2)CC1 ZINC000584900760 571316142 /nfs/dbraw/zinc/31/61/42/571316142.db2.gz DHIRAZWRLDOVJO-ZDUSSCGKSA-N 1 0 363.487 2.348 50 0 FEAARO CSCCc1nc(CN2CCC[N@H+](C)CC2)n(-c2cccc(F)c2)n1 ZINC000096162106 670760195 /nfs/dbraw/zinc/76/01/95/670760195.db2.gz BSTSONHJGRMFHH-UHFFFAOYSA-N 1 0 363.506 2.449 50 0 FEAARO CC[N@@H+]1CCC[C@H](CN(C)S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)C1 ZINC000952980474 681794426 /nfs/dbraw/zinc/79/44/26/681794426.db2.gz QTGWLWPDDFIRSD-CQSZACIVSA-N 1 0 366.487 2.331 50 0 FEAARO COc1c2c(cc3c1[C@H](C1C(=O)OC(C)(C)OC1=O)N(C)CC3)OCO2 ZINC000002117489 539344591 /nfs/dbraw/zinc/34/45/91/539344591.db2.gz LNUFPDIUXMKJKQ-CYBMUJFWSA-N 1 0 363.366 2.032 50 0 biogenic FEAARO C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCC[NH+](C)C ZINC000002683934 539351055 /nfs/dbraw/zinc/35/10/55/539351055.db2.gz KUXDDGQJCLVJDD-INIZCTEOSA-N 1 0 353.466 2.001 50 0 FEAARO C[NH+](C)CCNC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002778917 539352657 /nfs/dbraw/zinc/35/26/57/539352657.db2.gz XPZLXOZTDSIRHW-UHFFFAOYSA-N 1 0 367.331 2.300 50 0 FEAARO COC(=O)c1ccc(OC[C@H](O)C[n+]2c(C)n(C)c3ccccc32)cc1 ZINC000002949356 539356712 /nfs/dbraw/zinc/35/67/12/539356712.db2.gz VZVWGAYTUVSUGX-MRXNPFEDSA-N 1 0 355.414 2.001 50 0 FEAARO CS(=O)(=O)c1ccc([C@@]2(O)Cc3cccc[n+]3[C@H]2c2ccccc2)cc1 ZINC000003098856 539359930 /nfs/dbraw/zinc/35/99/30/539359930.db2.gz LVIWXYDETRIGBP-SFTDATJTSA-N 1 0 366.462 2.411 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)CCOc2ccc(Br)cc2F)C1 ZINC000299739523 529991266 /nfs/dbraw/zinc/99/12/66/529991266.db2.gz PQOKGKKQCFKAEY-NSHDSACASA-N 1 0 359.239 2.425 50 0 FEAARO C[N@@H+]1CCCN(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000299788635 530053727 /nfs/dbraw/zinc/05/37/27/530053727.db2.gz VWXZJLJJVUHYIG-UHFFFAOYSA-N 1 0 362.861 2.249 50 0 FEAARO NC(=O)c1ccc(O[C@@H]2COCC[C@H]2[NH2+]C2Cc3ccccc3C2)cc1 ZINC000219409033 222701426 /nfs/dbraw/zinc/70/14/26/222701426.db2.gz PFNUIGNEPSNVPY-WOJBJXKFSA-N 1 0 352.434 2.079 50 0 FEAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOC(C)C ZINC000006784921 539436876 /nfs/dbraw/zinc/43/68/76/539436876.db2.gz WVLMGJKVECOLME-ZDUSSCGKSA-N 1 0 363.911 2.109 50 0 FEAARO COc1cn(CC(=O)Nc2ccccc2)c(C[NH+]2CCCCC2)cc1=O ZINC000008602086 539489403 /nfs/dbraw/zinc/48/94/03/539489403.db2.gz IPFOUTOQMZSEHR-UHFFFAOYSA-N 1 0 355.438 2.482 50 0 FEAARO Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010112532 539512493 /nfs/dbraw/zinc/51/24/93/539512493.db2.gz RVNMAHXXXJRPHE-UHFFFAOYSA-N 1 0 367.515 2.218 50 0 FEAARO CN(Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000012431124 539559351 /nfs/dbraw/zinc/55/93/51/539559351.db2.gz RVHXDLDKRDCDFN-FQEVSTJZSA-N 1 0 370.497 2.334 50 0 FEAARO O=C1C[C@H]([NH2+]C2CSCCSC2)CN1CCc1ccc(F)cc1 ZINC000012441499 539559905 /nfs/dbraw/zinc/55/99/05/539559905.db2.gz FCAFUMNHFDJFQX-HNNXBMFYSA-N 1 0 354.516 2.407 50 0 FEAARO Cn1cnnc1Sc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000014962467 539607909 /nfs/dbraw/zinc/60/79/09/539607909.db2.gz PRQLVBKUCLVESV-CYBMUJFWSA-N 1 0 371.470 2.108 50 0 FEAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000014951808 539608194 /nfs/dbraw/zinc/60/81/94/539608194.db2.gz XYDVKQVFRARJCK-UHFFFAOYSA-N 1 0 368.481 2.205 50 0 FEAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000019873416 539670704 /nfs/dbraw/zinc/67/07/04/539670704.db2.gz HJGHZFLJTBZJOH-UHFFFAOYSA-N 1 0 371.448 2.431 50 0 FEAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)CC1 ZINC000020454984 539674958 /nfs/dbraw/zinc/67/49/58/539674958.db2.gz FVHCOWVEGCAXFP-QFIPXVFZSA-N 1 0 370.541 2.284 50 0 FEAARO CC[N@H+](CCn1cccn1)Cc1cccc(-c2nc(COC)cc(=O)[nH]2)c1 ZINC000023542103 539715552 /nfs/dbraw/zinc/71/55/52/539715552.db2.gz VGQNPTASCZVTJD-UHFFFAOYSA-N 1 0 367.453 2.302 50 0 FEAARO CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000000597556 219304947 /nfs/dbraw/zinc/30/49/47/219304947.db2.gz ANZXOIAKUNOVQU-HNNXBMFYSA-N 1 0 367.446 2.229 50 0 world FEAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000000900346 219337857 /nfs/dbraw/zinc/33/78/57/219337857.db2.gz WCTRFTLMDLLWHE-UHFFFAOYSA-N 1 0 365.543 2.176 50 0 FEAARO COc1ccccc1N1C[C@H](C(=O)NCC2([NH+](C)C)CCCCC2)CC1=O ZINC000032960792 539960817 /nfs/dbraw/zinc/96/08/17/539960817.db2.gz MFSGERBPRMOOKZ-MRXNPFEDSA-N 1 0 373.497 2.429 50 0 FEAARO C[N@H+](CCO)C1CCN(C(=O)N(Cc2ccco2)c2cccnc2)CC1 ZINC000225502337 222845649 /nfs/dbraw/zinc/84/56/49/222845649.db2.gz CXMMNUBPHRENST-UHFFFAOYSA-N 1 0 358.442 2.190 50 0 FEAARO CCOC(=O)c1nnsc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000033435881 539974713 /nfs/dbraw/zinc/97/47/13/539974713.db2.gz HXEHDDQYRUGGAF-UHFFFAOYSA-N 1 0 367.475 2.197 50 0 FEAARO O=C([C@H]1CC(=O)N(Cc2ccccc2F)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000034918391 539978310 /nfs/dbraw/zinc/97/83/10/539978310.db2.gz FXZQVDQDLVDTPJ-KRWDZBQOSA-N 1 0 373.472 2.261 50 0 FEAARO Cc1nc2ccc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2nc1C ZINC000040012967 540003862 /nfs/dbraw/zinc/00/38/62/540003862.db2.gz AWJFUIYTKZYMJD-KRWDZBQOSA-N 1 0 356.470 2.333 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355157 540009237 /nfs/dbraw/zinc/00/92/37/540009237.db2.gz BHRGFQPEOASDQK-UHFFFAOYSA-N 1 0 362.430 2.360 50 0 FEAARO COc1cc(C[NH2+]CCOCCO)cc(Br)c1OC(C)C ZINC000040728936 540011372 /nfs/dbraw/zinc/01/13/72/540011372.db2.gz VAEYVSUDLNRKIW-UHFFFAOYSA-N 1 0 362.264 2.343 50 0 FEAARO COc1ccc([C@@H]2CCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)cc1 ZINC000237345011 222907202 /nfs/dbraw/zinc/90/72/02/222907202.db2.gz ASYNZIILEFEWJL-MRXNPFEDSA-N 1 0 369.469 2.149 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21c2cccc(C)c2NC1=O ZINC000043730158 540107892 /nfs/dbraw/zinc/10/78/92/540107892.db2.gz DEWDBMMNZPWYTG-GXYOHSSGSA-N 1 0 369.465 2.172 50 0 FEAARO Cc1ccc([C@H](CCO)NC(=O)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000299759780 223082606 /nfs/dbraw/zinc/08/26/06/223082606.db2.gz NFYMTLNDUUIBGI-FQEVSTJZSA-N 1 0 360.498 2.426 50 0 FEAARO Cc1c[nH]c(C[N@H+](C)CCNc2cc([C@@H]3CCOC3)ncn2)c(C)c1=O ZINC000299764980 223086538 /nfs/dbraw/zinc/08/65/38/223086538.db2.gz WULJIUUETSVHJM-OAHLLOKOSA-N 1 0 357.458 2.242 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1snnc1-c1ccccc1 ZINC000299788249 223097528 /nfs/dbraw/zinc/09/75/28/223097528.db2.gz TURIKZJXNGGYGY-KBPBESRZSA-N 1 0 361.471 2.434 50 0 FEAARO CC1CC[NH+](CCCNC(=O)c2ccc(CN3CCOCC3)cc2)CC1 ZINC000010540285 219905225 /nfs/dbraw/zinc/90/52/25/219905225.db2.gz DKTUSRLNLYLVBH-UHFFFAOYSA-N 1 0 359.514 2.371 50 0 FEAARO CN(CC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1)C1CC[NH2+]CC1 ZINC000072124136 541784446 /nfs/dbraw/zinc/78/44/46/541784446.db2.gz ONEFOZNFNBSOJT-HNNXBMFYSA-N 1 0 366.456 2.052 50 0 FEAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)Cc3c(F)cccc3F)CC2)[C@H]1O ZINC000072135226 541786139 /nfs/dbraw/zinc/78/61/39/541786139.db2.gz RECFEFUYVMYUKH-UXHICEINSA-N 1 0 372.415 2.442 50 0 FEAARO COCc1cc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)ccc1OC ZINC000072145783 541787794 /nfs/dbraw/zinc/78/77/94/541787794.db2.gz KJAWTNJUFSXLMF-KRWDZBQOSA-N 1 0 362.470 2.213 50 0 FEAARO Cn1nc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)cc1-c1ccccc1 ZINC000072142127 541787525 /nfs/dbraw/zinc/78/75/25/541787525.db2.gz JOYQUUYRFJHORB-UHFFFAOYSA-N 1 0 368.481 2.148 50 0 FEAARO O=C(c1cnc2cccnn12)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156039 541791686 /nfs/dbraw/zinc/79/16/86/541791686.db2.gz UZJLLVTYVJMQGX-IOMROCGXSA-N 1 0 373.460 2.432 50 0 FEAARO COc1ccccc1[C@@H]1CN(C(=O)c2ccn(C)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072162181 541792438 /nfs/dbraw/zinc/79/24/38/541792438.db2.gz MCEGFTZNMGTUCW-PWIZWCRZSA-N 1 0 366.465 2.131 50 0 FEAARO O=C(CCCOCc1ccccc1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072164023 541793493 /nfs/dbraw/zinc/79/34/93/541793493.db2.gz DLSVAAHHVOEARU-FQEVSTJZSA-N 1 0 360.498 2.431 50 0 FEAARO Cc1cc(C)n(-c2ccc3cccc(NC(=O)C[C@H]4COCC[NH2+]4)c3n2)n1 ZINC000072167856 541794726 /nfs/dbraw/zinc/79/47/26/541794726.db2.gz YEJLQRDNTIUDEX-INIZCTEOSA-N 1 0 365.437 2.354 50 0 FEAARO O=C(c1cocn1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072168733 541795161 /nfs/dbraw/zinc/79/51/61/541795161.db2.gz CWTWIILPFGEPSM-GDIGMMSISA-N 1 0 367.405 2.106 50 0 FEAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)c1ccc2c(c1)CCO2 ZINC000072174028 541795923 /nfs/dbraw/zinc/79/59/23/541795923.db2.gz OFZSZCBJJRLOHI-UXHICEINSA-N 1 0 364.445 2.088 50 0 FEAARO O=C([C@@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072407228 541805675 /nfs/dbraw/zinc/80/56/75/541805675.db2.gz QERYSNXWEFFPRR-MRXNPFEDSA-N 1 0 371.481 2.222 50 0 FEAARO Cc1cc(C)c(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000072408553 541806740 /nfs/dbraw/zinc/80/67/40/541806740.db2.gz LPSGFQUFFWFTGQ-UHFFFAOYSA-N 1 0 365.477 2.307 50 0 FEAARO CCn1cc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000072424570 541809750 /nfs/dbraw/zinc/80/97/50/541809750.db2.gz NIZPPWVESNHMDW-KRWDZBQOSA-N 1 0 357.506 2.007 50 0 FEAARO C[C@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072424330 541810283 /nfs/dbraw/zinc/81/02/83/541810283.db2.gz AQISWHLQTJDNPW-OAHLLOKOSA-N 1 0 374.452 2.430 50 0 FEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)COC[C@@H]2CCCO2)CC1 ZINC000072438253 541814474 /nfs/dbraw/zinc/81/44/74/541814474.db2.gz OCUIUTKNRQTRHQ-FQEVSTJZSA-N 1 0 360.498 2.348 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072463532 541817826 /nfs/dbraw/zinc/81/78/26/541817826.db2.gz HJXDWYBCTYVPOQ-OAQYLSRUSA-N 1 0 365.481 2.285 50 0 FEAARO C[NH+](C)CCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072458556 541816598 /nfs/dbraw/zinc/81/65/98/541816598.db2.gz ZXWFUGKQVHRZGK-NRFANRHFSA-N 1 0 372.513 2.155 50 0 FEAARO C[C@H](Cn1cccn1)Nc1nc(-c2ccco2)nc2c1CC[N@H+](C)CC2 ZINC000072458235 541816704 /nfs/dbraw/zinc/81/67/04/541816704.db2.gz LBIHPBAXAFHJSL-CQSZACIVSA-N 1 0 352.442 2.464 50 0 FEAARO COc1ccc(C(=O)CCC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072479438 541821699 /nfs/dbraw/zinc/82/16/99/541821699.db2.gz UGVRTKIPWYBJGG-UHFFFAOYSA-N 1 0 367.449 2.324 50 0 FEAARO COCCCN1C[C@@]2(CCC[N@H+](CCn3cc(Cl)cn3)C2)CCC1=O ZINC000072481509 541822245 /nfs/dbraw/zinc/82/22/45/541822245.db2.gz WWSGEJDDEOKOCJ-SFHVURJKSA-N 1 0 368.909 2.278 50 0 FEAARO Cc1nc2c(c(N(C)Cc3[nH]nc4c3CCCCC4)n1)CC[N@H+](C)CC2 ZINC000072475101 541819579 /nfs/dbraw/zinc/81/95/79/541819579.db2.gz NHDQVKZFXOAFBC-UHFFFAOYSA-N 1 0 354.502 2.444 50 0 FEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cn[nH]c2)CC1 ZINC000012587857 220010604 /nfs/dbraw/zinc/01/06/04/220010604.db2.gz WIZWBDDPZKJYFD-UHFFFAOYSA-N 1 0 356.470 2.445 50 0 FEAARO CN(CCCC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000012587392 220011493 /nfs/dbraw/zinc/01/14/93/220011493.db2.gz ONVRNZGKYTUUHQ-UHFFFAOYSA-N 1 0 362.449 2.344 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2nccnc2N)[NH+]2CCCCC2)cc1 ZINC000012766628 220027535 /nfs/dbraw/zinc/02/75/35/220027535.db2.gz OVPKUCNYSRIBOK-MRXNPFEDSA-N 1 0 355.442 2.024 50 0 FEAARO COc1ccc2c(CC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)coc2c1 ZINC000012872674 220038017 /nfs/dbraw/zinc/03/80/17/220038017.db2.gz OOKNBJZUJHCCDN-KRWDZBQOSA-N 1 0 360.454 2.457 50 0 FEAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC[NH+](C)C)OC(C)(C)CC3 ZINC000012894555 220039850 /nfs/dbraw/zinc/03/98/50/220039850.db2.gz AOHVZWAAZLJTQX-UHFFFAOYSA-N 1 0 372.465 2.425 50 0 FEAARO Cc1ccc2c(=O)cc(C(=O)N3CCOC34CC[NH+](C)CC4)oc2c1C ZINC000013693122 220087054 /nfs/dbraw/zinc/08/70/54/220087054.db2.gz PPAQXKPHGRDXFR-UHFFFAOYSA-N 1 0 356.422 2.304 50 0 FEAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000014746473 220132255 /nfs/dbraw/zinc/13/22/55/220132255.db2.gz NEQPAOOUEYGZSS-UHFFFAOYSA-N 1 0 352.438 2.483 50 0 FEAARO CC(C)[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cc4ccccc4s3)CN2C1=O ZINC000014745009 220132336 /nfs/dbraw/zinc/13/23/36/220132336.db2.gz DMBSGEAUAHWTDV-QRTARXTBSA-N 1 0 357.479 2.115 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000014974914 220138870 /nfs/dbraw/zinc/13/88/70/220138870.db2.gz APFQPBKHCMSULU-UHFFFAOYSA-N 1 0 369.469 2.042 50 0 FEAARO O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)NC[C@H]1CCCO1 ZINC000015076221 220146946 /nfs/dbraw/zinc/14/69/46/220146946.db2.gz IWTTZCFABAHVDP-MRXNPFEDSA-N 1 0 350.459 2.059 50 0 FEAARO CC(C)c1nc(CNC(=O)c2ccc(OC[C@@]3(C)CCC[NH2+]C3)nc2)no1 ZINC000015063406 220144175 /nfs/dbraw/zinc/14/41/75/220144175.db2.gz GTCSKPLGEVEACW-IBGZPJMESA-N 1 0 373.457 2.287 50 0 FEAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000073435081 541954016 /nfs/dbraw/zinc/95/40/16/541954016.db2.gz PHJBBQUETSXERS-HXUWFJFHSA-N 1 0 356.445 2.064 50 0 FEAARO CCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000075541441 542186384 /nfs/dbraw/zinc/18/63/84/542186384.db2.gz ZBWBRGMEEWCVJJ-AWEZNQCLSA-N 1 0 363.527 2.109 50 0 FEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1)NCc1ccccc1 ZINC000077341724 542369226 /nfs/dbraw/zinc/36/92/26/542369226.db2.gz VGUPWTFCMPRJEI-QFIPXVFZSA-N 1 0 369.509 2.417 50 0 FEAARO O=C(c1c[nH]nc1-c1cccs1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000077388137 542376644 /nfs/dbraw/zinc/37/66/44/542376644.db2.gz HLQMFLPXTHVMRL-UHFFFAOYSA-N 1 0 360.483 2.323 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC1 ZINC000077387246 542376664 /nfs/dbraw/zinc/37/66/64/542376664.db2.gz BVUBFTGZZWABDX-UHFFFAOYSA-N 1 0 366.465 2.310 50 0 FEAARO CCc1ccc2nc(C)cc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000077522385 542392306 /nfs/dbraw/zinc/39/23/06/542392306.db2.gz PFEWKTGEPPJTNE-INIZCTEOSA-N 1 0 368.481 2.033 50 0 FEAARO C[NH+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3cccc3)CC2)[C@H]1O ZINC000020785900 220341626 /nfs/dbraw/zinc/34/16/26/220341626.db2.gz NXCIRENLSSVADR-RTWAWAEBSA-N 1 0 367.493 2.416 50 0 FEAARO COCC[N@H+](Cc1c(C(=O)N2CCCC2)nc2sccn12)C(C)C ZINC000020919803 220345913 /nfs/dbraw/zinc/34/59/13/220345913.db2.gz XQVDELXWUMVJFD-UHFFFAOYSA-N 1 0 350.488 2.489 50 0 FEAARO Cc1cc(C)n(Cc2c(C)onc2C(=O)NCC[C@H](C)[NH+]2CCCC2)n1 ZINC000020994071 220348297 /nfs/dbraw/zinc/34/82/97/220348297.db2.gz IWUYAYSMVGRUIF-AWEZNQCLSA-N 1 0 359.474 2.449 50 0 FEAARO COc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)c(OC)c1 ZINC000021103335 220350400 /nfs/dbraw/zinc/35/04/00/220350400.db2.gz UWQYNPXFDNGIRP-UHFFFAOYSA-N 1 0 372.425 2.377 50 0 FEAARO O=C(CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)N1CCCC1 ZINC000022788839 220398671 /nfs/dbraw/zinc/39/86/71/220398671.db2.gz JBQFYGNVGJSBJB-UHFFFAOYSA-N 1 0 355.232 2.280 50 0 FEAARO COc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1OC(F)F ZINC000048284940 221005194 /nfs/dbraw/zinc/00/51/94/221005194.db2.gz JPXWTMNITDSANL-UHFFFAOYSA-N 1 0 358.385 2.139 50 0 FEAARO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH2+]Cc3cccc(O)c3)C2)nc1 ZINC000049421007 221022964 /nfs/dbraw/zinc/02/29/64/221022964.db2.gz UMBWZMNCZRGCSS-QGZVFWFLSA-N 1 0 352.438 2.048 50 0 FEAARO CC1CC[NH+]([C@H](CNC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)CC1 ZINC000050156556 221030376 /nfs/dbraw/zinc/03/03/76/221030376.db2.gz MCPRMKJMLRCIOD-LJQANCHMSA-N 1 0 372.513 2.367 50 0 FEAARO COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c2c1CCCC2 ZINC000055104354 221059225 /nfs/dbraw/zinc/05/92/25/221059225.db2.gz DHCQCIYMPMEYCV-UHFFFAOYSA-N 1 0 352.500 2.289 50 0 FEAARO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000058171214 221102454 /nfs/dbraw/zinc/10/24/54/221102454.db2.gz INUXMJLKZPJCSX-ZDUSSCGKSA-N 1 0 354.248 2.041 50 0 FEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000058144906 221099841 /nfs/dbraw/zinc/09/98/41/221099841.db2.gz GBQIFFMTPCDRHP-UHFFFAOYSA-N 1 0 371.437 2.394 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000058266336 221110994 /nfs/dbraw/zinc/11/09/94/221110994.db2.gz GONNCTUFOPWPLO-UHFFFAOYSA-N 1 0 357.410 2.123 50 0 FEAARO CCn1cnnc1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058343897 221114496 /nfs/dbraw/zinc/11/44/96/221114496.db2.gz DVWKREAYVFZHPZ-QGZVFWFLSA-N 1 0 356.474 2.009 50 0 FEAARO COCC[N@H+](Cc1cnn(C)c1)Cc1cc(Cn2cncn2)c(C)cc1C ZINC000063871042 221144985 /nfs/dbraw/zinc/14/49/85/221144985.db2.gz RCJMWUVXKMNYNH-UHFFFAOYSA-N 1 0 368.485 2.325 50 0 FEAARO COC(=O)c1ccc(NC(=O)CCN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000065396251 221210549 /nfs/dbraw/zinc/21/05/49/221210549.db2.gz MFEXMKBVBAHRPE-OAHLLOKOSA-N 1 0 359.470 2.360 50 0 FEAARO Cc1nc2c(c(NCCc3csc(-c4cnccn4)n3)n1)CC[NH2+]CC2 ZINC000065453194 221219869 /nfs/dbraw/zinc/21/98/69/221219869.db2.gz KBWYFSMPXVKSEU-UHFFFAOYSA-N 1 0 367.482 2.041 50 0 FEAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1ccc(-n2cnnn2)cc1O ZINC000065536283 221232119 /nfs/dbraw/zinc/23/21/19/221232119.db2.gz SNVQRRFEFHSKIC-UHFFFAOYSA-N 1 0 362.397 2.442 50 0 FEAARO CCCC(=O)Nc1ccccc1C(=O)N1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067674737 221268883 /nfs/dbraw/zinc/26/88/83/221268883.db2.gz ZDKYZKOLENLYIB-UHFFFAOYSA-N 1 0 372.513 2.277 50 0 FEAARO Cc1cc(C)c(C(=O)N[C@H](c2nnc3n2CC[NH2+]CC3)C(C)C)c(C)c1 ZINC000067676136 221269783 /nfs/dbraw/zinc/26/97/83/221269783.db2.gz PSLDADPNSFWPTK-SFHVURJKSA-N 1 0 355.486 2.476 50 0 FEAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C3CCCC3)C2=O)c1OC ZINC000067691184 221272391 /nfs/dbraw/zinc/27/23/91/221272391.db2.gz VBRMISUYXKCUME-FQEVSTJZSA-N 1 0 362.470 2.090 50 0 FEAARO Cn1nc(CN2CCC3(CC2)C[N@H+](C)CCN3C)c2c1cccc2Cl ZINC000067696060 221273853 /nfs/dbraw/zinc/27/38/53/221273853.db2.gz NVQRSXUXFDIPLI-UHFFFAOYSA-N 1 0 361.921 2.439 50 0 FEAARO CCS(=O)(=O)Nc1ccc(-c2nc(CC3CC[NH+](C)CC3)no2)cc1 ZINC000067754747 221279778 /nfs/dbraw/zinc/27/97/78/221279778.db2.gz IWSBMWRRGBZPAK-UHFFFAOYSA-N 1 0 364.471 2.383 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H](COC)C3)cnn2c1 ZINC000067790136 221285314 /nfs/dbraw/zinc/28/53/14/221285314.db2.gz AZKCAKDCFPWKPB-HNNXBMFYSA-N 1 0 359.474 2.070 50 0 FEAARO COCC1([NH2+]C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CCCC1 ZINC000067802967 221286588 /nfs/dbraw/zinc/28/65/88/221286588.db2.gz NMHUVGRKHRVHKD-HXUWFJFHSA-N 1 0 364.461 2.228 50 0 FEAARO Cc1ccsc1[C@@H](CNC(=O)c1cnc2ccccn2c1=O)[NH+](C)C ZINC000067867461 221296910 /nfs/dbraw/zinc/29/69/10/221296910.db2.gz FXRGPZWSVZKMCV-CQSZACIVSA-N 1 0 356.451 2.097 50 0 FEAARO CC[C@]1(C2CC[NH+](Cc3ccc4cccc(O)c4n3)CC2)NC(=O)NC1=O ZINC000067983205 221313146 /nfs/dbraw/zinc/31/31/46/221313146.db2.gz PCJVDRQQSNYHAI-HXUWFJFHSA-N 1 0 368.437 2.141 50 0 FEAARO C[C@H]1Oc2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2NC1=O ZINC000069491495 221326554 /nfs/dbraw/zinc/32/65/54/221326554.db2.gz SHQWCLLUYIQPIV-UKRRQHHQSA-N 1 0 358.442 2.498 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1)N1CCCC1 ZINC000071738574 221357046 /nfs/dbraw/zinc/35/70/46/221357046.db2.gz UCLIGXNAVPHRKF-INIZCTEOSA-N 1 0 362.543 2.442 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C3(C(C)C)CC3)C2=O)c1 ZINC000071747859 221359710 /nfs/dbraw/zinc/35/97/10/221359710.db2.gz IOIHTWKYALPJJL-FQEVSTJZSA-N 1 0 364.461 2.466 50 0 FEAARO O=S(=O)(NCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071751600 221361876 /nfs/dbraw/zinc/36/18/76/221361876.db2.gz LBXMXDVKDDUZFF-LJQANCHMSA-N 1 0 359.495 2.275 50 0 FEAARO CN1c2ccccc2[C@@](CCC(=O)N2CC([NH3+])C2)(Cc2ccccc2)C1=O ZINC000071765404 221372262 /nfs/dbraw/zinc/37/22/62/221372262.db2.gz HEGFTIFDTVXQLQ-JOCHJYFZSA-N 1 0 363.461 2.093 50 0 FEAARO Cn1c(CC2CC[NH2+]CC2)nnc1SCC(=O)N1CCc2ccccc21 ZINC000082109437 542684640 /nfs/dbraw/zinc/68/46/40/542684640.db2.gz BCSGCJYJUSTBHH-UHFFFAOYSA-N 1 0 371.510 2.039 50 0 FEAARO CC(C)Nc1cc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)ncn1 ZINC000095385155 132209880 /nfs/dbraw/zinc/20/98/80/132209880.db2.gz OHUUOYGRJMFBBC-UHFFFAOYSA-N 1 0 374.533 2.068 50 0 FEAARO COCc1noc(CC[NH2+]C2CCN(c3ncnc4ccsc43)CC2)n1 ZINC000095497071 132211769 /nfs/dbraw/zinc/21/17/69/132211769.db2.gz QTPAQOZEYGJLKJ-UHFFFAOYSA-N 1 0 374.470 2.022 50 0 FEAARO Cc1cccnc1C[C@H](C)[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095517748 132213667 /nfs/dbraw/zinc/21/36/67/132213667.db2.gz YKAUDRKWPXHVNC-AWEZNQCLSA-N 1 0 351.458 2.246 50 0 FEAARO Cc1cc(C)nc(N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)n1 ZINC000097631978 132230573 /nfs/dbraw/zinc/23/05/73/132230573.db2.gz OKMKYWLTMIRVJO-UHFFFAOYSA-N 1 0 369.469 2.245 50 0 FEAARO CNc1nc(N2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)nc2c1CCC2 ZINC000106994971 132240884 /nfs/dbraw/zinc/24/08/84/132240884.db2.gz SZIREEQQZZVZLL-INIZCTEOSA-N 1 0 359.518 2.213 50 0 FEAARO Cc1cc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc(C)[nH+]1 ZINC000215636783 132270368 /nfs/dbraw/zinc/27/03/68/132270368.db2.gz HXHZBCSYAOUIGS-UHFFFAOYSA-N 1 0 373.526 2.314 50 0 FEAARO Cc1cccc2[nH]c(CC[N@@H+](C)Cc3cnc(N4CCOCC4)nc3)nc21 ZINC000216210948 132271082 /nfs/dbraw/zinc/27/10/82/132271082.db2.gz QJDGXYQZSFIIPJ-UHFFFAOYSA-N 1 0 366.469 2.172 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)C1 ZINC000229357714 132288324 /nfs/dbraw/zinc/28/83/24/132288324.db2.gz OEAPINJSWQRYRA-KURKYZTESA-N 1 0 374.529 2.405 50 0 FEAARO O=c1cc([C@@H]2CCC[N@H+](CCN3CCN(c4ccccc4)CC3)C2)nc[nH]1 ZINC000244873034 132291343 /nfs/dbraw/zinc/29/13/43/132291343.db2.gz WIZVJECAUNPKHP-GOSISDBHSA-N 1 0 367.497 2.184 50 0 FEAARO Cc1cnc(C)c(N2CC[NH+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)n1 ZINC000299775797 132299111 /nfs/dbraw/zinc/29/91/11/132299111.db2.gz KSSYOJUHYQLNGQ-GOSISDBHSA-N 1 0 365.481 2.269 50 0 FEAARO O=C(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000299802778 132300918 /nfs/dbraw/zinc/30/09/18/132300918.db2.gz POXIAWXDQCQYSA-HNNXBMFYSA-N 1 0 355.442 2.064 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000002578165 132383676 /nfs/dbraw/zinc/38/36/76/132383676.db2.gz JPCWJJXHSPQHCE-UHFFFAOYSA-N 1 0 356.392 2.411 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000033318256 132931812 /nfs/dbraw/zinc/93/18/12/132931812.db2.gz HWWWCIAQQLORRA-UHFFFAOYSA-N 1 0 351.454 2.348 50 0 FEAARO CC[C@@H](O)C[NH+]1CCC(Nc2cc(C)nc3nc(C(F)(F)F)nn32)CC1 ZINC000089943328 542775782 /nfs/dbraw/zinc/77/57/82/542775782.db2.gz JMCOIAYBYXWEIP-GFCCVEGCSA-N 1 0 372.395 2.099 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cc1ccc(O)c(F)c1)CC2 ZINC000091444962 542807584 /nfs/dbraw/zinc/80/75/84/542807584.db2.gz UMZAKOZQUORCPA-UHFFFAOYSA-N 1 0 372.444 2.193 50 0 FEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(OC(F)F)cc2)C1 ZINC000091493403 542810808 /nfs/dbraw/zinc/81/08/08/542810808.db2.gz YWVUWJZALGKZEG-JKSUJKDBSA-N 1 0 367.440 2.272 50 0 FEAARO COc1ccc(/C=C/CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091586653 542814481 /nfs/dbraw/zinc/81/44/81/542814481.db2.gz YIAAMDRKWVGZSK-FNEOHHHZSA-N 1 0 357.498 2.337 50 0 FEAARO c1ccc(-c2ncc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)cn2)nc1 ZINC000091586226 542814564 /nfs/dbraw/zinc/81/45/64/542814564.db2.gz KBXTVSXGFKWFKI-SJLPKXTDSA-N 1 0 373.464 2.429 50 0 FEAARO C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C[C@]12CCNC(=O)CC2 ZINC000091603021 542815099 /nfs/dbraw/zinc/81/50/99/542815099.db2.gz XLETYZBUOJWWCO-KRWDZBQOSA-N 1 0 368.840 2.297 50 0 FEAARO CCOc1ccc(NC(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091846679 542828524 /nfs/dbraw/zinc/82/85/24/542828524.db2.gz GBIKPABHSJETKA-HXUWFJFHSA-N 1 0 374.485 2.246 50 0 FEAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)NCc3cccc(C)n3)C2)cc1 ZINC000091914643 542832288 /nfs/dbraw/zinc/83/22/88/542832288.db2.gz SPJUIIUBBPUJQX-SJORKVTESA-N 1 0 366.465 2.179 50 0 FEAARO CCC[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000091964583 542834101 /nfs/dbraw/zinc/83/41/01/542834101.db2.gz UBUZBGIBPQLXNN-YJBOKZPZSA-N 1 0 358.486 2.363 50 0 FEAARO C[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(Cc4ccccn4)C3)n2)CC1 ZINC000092028608 542838752 /nfs/dbraw/zinc/83/87/52/542838752.db2.gz COYLFUNRKLULBI-MRXNPFEDSA-N 1 0 369.469 2.255 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1nc(C)cc1C)CC2 ZINC000092077006 542844044 /nfs/dbraw/zinc/84/40/44/542844044.db2.gz WFJSGNNXGVGJBL-MRXNPFEDSA-N 1 0 370.501 2.180 50 0 FEAARO O=C1OCCCN1CC[NH2+]C1CCN(c2cccc(-c3cc[nH]n3)c2)CC1 ZINC000023380103 136152690 /nfs/dbraw/zinc/15/26/90/136152690.db2.gz VDTCSQIVUWDKCM-UHFFFAOYSA-N 1 0 369.469 2.477 50 0 FEAARO COC(=O)C1CC[NH+](CCCN2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000026646652 136153231 /nfs/dbraw/zinc/15/32/31/136153231.db2.gz BHYUZPFWYKETSO-UHFFFAOYSA-N 1 0 363.477 2.223 50 0 FEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000095355034 542957987 /nfs/dbraw/zinc/95/79/87/542957987.db2.gz AKUODXGHXCKFOS-IBGZPJMESA-N 1 0 368.481 2.231 50 0 FEAARO CCc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000095355296 542958664 /nfs/dbraw/zinc/95/86/64/542958664.db2.gz BPWYSSNFSFFKFT-PKOBYXMFSA-N 1 0 359.514 2.112 50 0 FEAARO C[NH+](C)CCN1C[C@@H](C(=O)NCc2ccc(-c3ccccc3)cc2)CC1=O ZINC000095358775 542959055 /nfs/dbraw/zinc/95/90/55/542959055.db2.gz DKHIVCNNIWJZKT-FQEVSTJZSA-N 1 0 365.477 2.380 50 0 FEAARO C[N@@H+]1CCN(C(=O)CCCCc2ccccc2)C[C@@]12CCNC(=O)CC2 ZINC000095358523 542959201 /nfs/dbraw/zinc/95/92/01/542959201.db2.gz MSTDKGHUSHAGAC-OAQYLSRUSA-N 1 0 357.498 2.212 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3cccnn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095380380 542965086 /nfs/dbraw/zinc/96/50/86/542965086.db2.gz MILUAXKHQHRURP-MISYRCLQSA-N 1 0 364.449 2.188 50 0 FEAARO Cc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000095382854 542965295 /nfs/dbraw/zinc/96/52/95/542965295.db2.gz AUTIGSQODWRGNF-GOSISDBHSA-N 1 0 364.877 2.467 50 0 FEAARO CN(C)[C@H](C(=O)NCCCOC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095382838 542965434 /nfs/dbraw/zinc/96/54/34/542965434.db2.gz FQRIMVDOGSRGJM-SFHVURJKSA-N 1 0 351.466 2.046 50 0 FEAARO Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)[nH]1 ZINC000095386403 542966143 /nfs/dbraw/zinc/96/61/43/542966143.db2.gz NRGCGZUKAPVSJC-FUHWJXTLSA-N 1 0 371.460 2.308 50 0 FEAARO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000095416652 542969234 /nfs/dbraw/zinc/96/92/34/542969234.db2.gz JFJVQXPHDLKODV-HZPDHXFCSA-N 1 0 355.404 2.356 50 0 FEAARO CN1CCN([C@H]2CCCC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000095405707 542969280 /nfs/dbraw/zinc/96/92/80/542969280.db2.gz WRWJJKZWBICWJV-FQEVSTJZSA-N 1 0 362.562 2.022 50 0 FEAARO Cc1c(CC(=O)N2CC[C@@H]([NH3+])C2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095508570 542976584 /nfs/dbraw/zinc/97/65/84/542976584.db2.gz JXBLICQZQBMHCL-QGZVFWFLSA-N 1 0 365.477 2.466 50 0 FEAARO COc1cc2cccnc2c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)c1 ZINC000095512728 542978187 /nfs/dbraw/zinc/97/81/87/542978187.db2.gz BTHMVRXHXCGHRW-IRXDYDNUSA-N 1 0 358.442 2.473 50 0 FEAARO CS[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@@H]1[NH+](C)C ZINC000095996477 542986119 /nfs/dbraw/zinc/98/61/19/542986119.db2.gz YWGMZYKFXMOBOL-NKWVEPMBSA-N 1 0 355.411 2.066 50 0 FEAARO COc1cc(C(=O)N(C)Cc2nc(C)no2)ccc1OC1CC[NH+](C)CC1 ZINC000095525683 542980700 /nfs/dbraw/zinc/98/07/00/542980700.db2.gz WJNYBQBHLCHDJX-UHFFFAOYSA-N 1 0 374.441 2.132 50 0 FEAARO COc1ccc(C(=O)N(C)CCO)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095525835 542980991 /nfs/dbraw/zinc/98/09/91/542980991.db2.gz ZLDKZDLNRQQKAH-UHFFFAOYSA-N 1 0 350.459 2.011 50 0 FEAARO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000104749335 543141763 /nfs/dbraw/zinc/14/17/63/543141763.db2.gz ZJKCNFAMXVKIJQ-UHFFFAOYSA-N 1 0 373.478 2.090 50 0 FEAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC4CC4)C3)nc2c1 ZINC000108144867 543283418 /nfs/dbraw/zinc/28/34/18/543283418.db2.gz UCSYQELYEMEVNB-KGLIPLIRSA-N 1 0 369.469 2.427 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)c1ccccc1[C@@H]1CC[NH2+]C1)CC2 ZINC000091644945 221778386 /nfs/dbraw/zinc/77/83/86/221778386.db2.gz MGRUTRBRVVCQJV-MRXNPFEDSA-N 1 0 355.482 2.238 50 0 FEAARO CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096165560 222064102 /nfs/dbraw/zinc/06/41/02/222064102.db2.gz CWCBDWJYKMIYLV-UHFFFAOYSA-N 1 0 355.446 2.219 50 0 FEAARO CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)[C@H](C[NH3+])C1 ZINC000097019729 222152734 /nfs/dbraw/zinc/15/27/34/222152734.db2.gz WQPXVCLFCKDUSP-MRXNPFEDSA-N 1 0 350.422 2.210 50 0 FEAARO CN(C(=O)c1ccc(-n2cnnc2)nc1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097323945 222174809 /nfs/dbraw/zinc/17/48/09/222174809.db2.gz KIFXBTNSFLJWIQ-KRWDZBQOSA-N 1 0 350.426 2.037 50 0 FEAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCN(S(=O)(=O)N3CCCC3)CC2)o1 ZINC000097527271 222188573 /nfs/dbraw/zinc/18/85/73/222188573.db2.gz DHNHXKUQOPLNAL-MRXNPFEDSA-N 1 0 369.531 2.430 50 0 FEAARO COc1ccc2c(c1)c(C(=O)NCC[N@@H+]1CCCC[C@H]1CO)c(C)n2C ZINC000097570857 222192196 /nfs/dbraw/zinc/19/21/96/222192196.db2.gz PUXILPJFDAPQEZ-HNNXBMFYSA-N 1 0 359.470 2.072 50 0 FEAARO CCOc1ccc(C(=O)N[C@H](C(=O)N2CCC[N@H+](C)CC2)C(C)C)cc1 ZINC000097617768 222200086 /nfs/dbraw/zinc/20/00/86/222200086.db2.gz UDGLXEMWERKVAP-SFHVURJKSA-N 1 0 361.486 2.004 50 0 FEAARO c1cn(CCC2=CSC3=NCCCN23)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000101186165 222265611 /nfs/dbraw/zinc/26/56/11/222265611.db2.gz CEGNYNIKKIHJCY-UHFFFAOYSA-N 1 0 369.498 2.280 50 0 FEAARO COc1ccc(CN2CC[N@H+](CCCn3cccn3)C[C@H]2CCO)cc1C ZINC000104345656 222356000 /nfs/dbraw/zinc/35/60/00/222356000.db2.gz HXQAECGRMYTRSO-HXUWFJFHSA-N 1 0 372.513 2.159 50 0 FEAARO CC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC[N@@H+]1C[C@H](C)O ZINC000107510244 222396308 /nfs/dbraw/zinc/39/63/08/222396308.db2.gz WPLPWEWYSRKVMJ-WFASDCNBSA-N 1 0 366.437 2.093 50 0 FEAARO CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]nc2-c2cccnc2)ncn1 ZINC000109069928 222441014 /nfs/dbraw/zinc/44/10/14/222441014.db2.gz KXPQSJNBDVMQDZ-INIZCTEOSA-N 1 0 364.457 2.062 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000426392733 263574253 /nfs/dbraw/zinc/57/42/53/263574253.db2.gz GGHPKJMDDRJNRT-UHFFFAOYSA-N 1 0 358.442 2.166 50 0 FEAARO Cc1cccc(N2CCN(C(=O)Cn3ccc([C@H]4CCC[NH2+]C4)n3)CC2)c1 ZINC000426596489 263641414 /nfs/dbraw/zinc/64/14/14/263641414.db2.gz LHHZQPZZFSIYHF-SFHVURJKSA-N 1 0 367.497 2.007 50 0 FEAARO Cc1ccccc1[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccncc1 ZINC000426647352 263650432 /nfs/dbraw/zinc/65/04/32/263650432.db2.gz SERZNGZEBOBVGX-LJQANCHMSA-N 1 0 368.481 2.235 50 0 FEAARO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)C[C@H]2C1 ZINC000192504667 328322688 /nfs/dbraw/zinc/32/26/88/328322688.db2.gz WDLKUIVHRZNZAI-IYBDPMFKSA-N 1 0 362.495 2.037 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262304432 328858074 /nfs/dbraw/zinc/85/80/74/328858074.db2.gz ATBOLAZVFDKBDR-BFYDXBDKSA-N 1 0 356.470 2.046 50 0 FEAARO Cc1cc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)n2ncnc2n1 ZINC000275663647 330075666 /nfs/dbraw/zinc/07/56/66/330075666.db2.gz LEQVBVZESYSWGM-KRWDZBQOSA-N 1 0 351.458 2.319 50 0 FEAARO CC(C)Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c(=O)n1 ZINC000214951668 519429629 /nfs/dbraw/zinc/42/96/29/519429629.db2.gz VLOGTGVKXWOYNJ-QGZVFWFLSA-N 1 0 368.481 2.220 50 0 FEAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3ccn(C)n3)CC2)[nH]n1 ZINC000082107102 519431233 /nfs/dbraw/zinc/43/12/33/519431233.db2.gz XACBEGKDKLBQGK-HNNXBMFYSA-N 1 0 358.490 2.126 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3ccnc3C)cc2C1 ZINC000082160466 519855077 /nfs/dbraw/zinc/85/50/77/519855077.db2.gz VZNAQRQLZJLDKY-OAHLLOKOSA-N 1 0 358.490 2.271 50 0 FEAARO COc1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc(OC)c1OC ZINC000019840154 522382598 /nfs/dbraw/zinc/38/25/98/522382598.db2.gz GLFMAQLJAQHXBR-KRWDZBQOSA-N 1 0 366.502 2.237 50 0 FEAARO CCn1cc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3CC)CC2)cn1 ZINC000082115244 523368258 /nfs/dbraw/zinc/36/82/58/523368258.db2.gz WUOQCWWERCSWDJ-UHFFFAOYSA-N 1 0 371.533 2.490 50 0 FEAARO O=C(c1ccc(Cn2ccnc2)o1)N1CCC([NH+]2CCSCC2)CC1 ZINC000299790199 534704199 /nfs/dbraw/zinc/70/41/99/534704199.db2.gz BLDDHYICPHPPHG-UHFFFAOYSA-N 1 0 360.483 2.178 50 0 FEAARO CN(c1ncccc1C(=O)NCc1cc2n(n1)CC[NH2+]C2)C1CCCCC1 ZINC000082134176 523666756 /nfs/dbraw/zinc/66/67/56/523666756.db2.gz NPFVYKGIPDRRPE-UHFFFAOYSA-N 1 0 368.485 2.080 50 0 FEAARO COc1ccc(C(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)c(O)c1 ZINC000082099581 523713006 /nfs/dbraw/zinc/71/30/06/523713006.db2.gz XDDGVVBNOBUSOD-UHFFFAOYSA-N 1 0 372.469 2.389 50 0 FEAARO COc1ccccc1C(=O)N1CCN(C(=O)CC[NH+]2CCCCCC2)CC1 ZINC000082135056 524344420 /nfs/dbraw/zinc/34/44/20/524344420.db2.gz VULOONVJTFCTJK-UHFFFAOYSA-N 1 0 373.497 2.246 50 0 FEAARO O=C(/C=C/c1ccccc1F)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299795251 534777949 /nfs/dbraw/zinc/77/79/49/534777949.db2.gz LARVXODGXSWBRC-CMDGGOBGSA-N 1 0 373.472 2.386 50 0 FEAARO C[C@@H]1CN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC000153719556 524886957 /nfs/dbraw/zinc/88/69/57/524886957.db2.gz SXTBPTCPTHBKMR-NXEZZACHSA-N 1 0 371.338 2.248 50 0 FEAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCS(=O)(=O)NCC2CCC2)C1 ZINC000088718363 526093003 /nfs/dbraw/zinc/09/30/03/526093003.db2.gz QCOJSBSMRFKYGL-LPHOPBHVSA-N 1 0 365.543 2.131 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000237945161 527366786 /nfs/dbraw/zinc/36/67/86/527366786.db2.gz LIJHREQPZWMHCS-JHJVBQTASA-N 1 0 352.276 2.271 50 0 FEAARO OCCCc1cn(CC2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nn1 ZINC000020918451 527548138 /nfs/dbraw/zinc/54/81/38/527548138.db2.gz MAEJWRYEIUQWCV-NRFANRHFSA-N 1 0 354.498 2.473 50 0 FEAARO CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000299793510 528992691 /nfs/dbraw/zinc/99/26/91/528992691.db2.gz HVWPUNTUBMLCGS-SFHVURJKSA-N 1 0 361.486 2.339 50 0 FEAARO COC[C@H](C)CS(=O)(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000170598341 546163599 /nfs/dbraw/zinc/16/35/99/546163599.db2.gz REOMVZZPJBQAPX-HNNXBMFYSA-N 1 0 354.516 2.161 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188209871 548275518 /nfs/dbraw/zinc/27/55/18/548275518.db2.gz VPATVNNJMMXLLR-CRAIPNDOSA-N 1 0 356.470 2.312 50 0 FEAARO Cn1ccc(N2CCC[C@H]([NH2+]Cc3cnc(-c4ccco4)s3)C2=O)n1 ZINC000193129502 548380168 /nfs/dbraw/zinc/38/01/68/548380168.db2.gz SAALHTHDGLBVQS-ZDUSSCGKSA-N 1 0 357.439 2.422 50 0 FEAARO CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3OCc3ccccc3)C[C@H]2C1=O ZINC000216137037 548676515 /nfs/dbraw/zinc/67/65/15/548676515.db2.gz OIQHSILZIWJJMM-HDICACEKSA-N 1 0 350.418 2.312 50 0 FEAARO COc1cccc(SCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000219587754 548694964 /nfs/dbraw/zinc/69/49/64/548694964.db2.gz XLDFWOIONBAZTM-IRXDYDNUSA-N 1 0 350.484 2.157 50 0 FEAARO COc1cc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)ccc1O ZINC000220301740 548699422 /nfs/dbraw/zinc/69/94/22/548699422.db2.gz QFDGYSRYSWHXHZ-UHFFFAOYSA-N 1 0 352.434 2.326 50 0 FEAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)nnn1-c1cccc2cnccc21 ZINC000225476411 548735690 /nfs/dbraw/zinc/73/56/90/548735690.db2.gz VSPWKGPJZFDUMA-WFASDCNBSA-N 1 0 350.426 2.076 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C(N)=O)c(Cl)n2)C1 ZINC000225801885 548744192 /nfs/dbraw/zinc/74/41/92/548744192.db2.gz UGHQYTVNMWLOFO-RYUDHWBXSA-N 1 0 366.893 2.320 50 0 FEAARO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000229973641 548757972 /nfs/dbraw/zinc/75/79/72/548757972.db2.gz RVUDBEBEBYSRMS-CNMWIUBYSA-N 1 0 361.530 2.355 50 0 FEAARO CN(C)c1ncn(-c2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)n1 ZINC000230247398 548760084 /nfs/dbraw/zinc/76/00/84/548760084.db2.gz AJESWHTXUPGGIL-WBVHZDCISA-N 1 0 369.473 2.034 50 0 FEAARO COc1cc(C[NH2+]CC2(O)CCOCC2)ccc1OCc1ccncc1 ZINC000237134237 548802759 /nfs/dbraw/zinc/80/27/59/548802759.db2.gz OFOYBTHBQWQJRL-UHFFFAOYSA-N 1 0 358.438 2.300 50 0 FEAARO COc1ccccc1C[C@H]1CCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237288805 548815215 /nfs/dbraw/zinc/81/52/15/548815215.db2.gz XLNGTOIQARKYHG-QGZVFWFLSA-N 1 0 369.469 2.059 50 0 FEAARO COc1cccc([C@H]2CCCN2C(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000237552287 548833158 /nfs/dbraw/zinc/83/31/58/548833158.db2.gz ZNJMPINGMOJLCL-GOSISDBHSA-N 1 0 369.469 2.497 50 0 FEAARO O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238012955 548871588 /nfs/dbraw/zinc/87/15/88/548871588.db2.gz ZWZJDDRXKXCGHZ-OLZOCXBDSA-N 1 0 371.384 2.168 50 0 FEAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000243885769 548888438 /nfs/dbraw/zinc/88/84/38/548888438.db2.gz ACCRIAIXTOFEFC-UHFFFAOYSA-N 1 0 363.421 2.090 50 0 FEAARO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244718666 548892690 /nfs/dbraw/zinc/89/26/90/548892690.db2.gz LOTOWQQYBLGLMH-CQSZACIVSA-N 1 0 350.426 2.003 50 0 FEAARO O=C(CCn1cnc2ccccc21)N1CC[NH+](C2CCSCC2)CC1 ZINC000244678744 548893124 /nfs/dbraw/zinc/89/31/24/548893124.db2.gz IJCMYQZDWURVPI-UHFFFAOYSA-N 1 0 358.511 2.466 50 0 FEAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000244795939 548896296 /nfs/dbraw/zinc/89/62/96/548896296.db2.gz RQCMKUSCIWCRDH-HNNXBMFYSA-N 1 0 358.490 2.389 50 0 FEAARO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245423028 548915134 /nfs/dbraw/zinc/91/51/34/548915134.db2.gz JDSWCGYKHWNKDT-ZHALLVOQSA-N 1 0 365.481 2.207 50 0 FEAARO Cc1cccc(-n2cc(CNC(=O)CC[C@H](C)[NH+]3CCOCC3)cn2)c1 ZINC000252501686 549669843 /nfs/dbraw/zinc/66/98/43/549669843.db2.gz UHVQLZSXGHOLOA-KRWDZBQOSA-N 1 0 356.470 2.298 50 0 FEAARO COc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)c(OCC(C)C)c1 ZINC000252507610 549670795 /nfs/dbraw/zinc/67/07/95/549670795.db2.gz WPIHBHUKXPNKAM-UHFFFAOYSA-N 1 0 364.486 2.164 50 0 FEAARO COCC[N@@H+]1CC[C@@H](C(=O)NCCCc2nc3c(ccc(C)c3C)[nH]2)C1 ZINC000252508489 549671381 /nfs/dbraw/zinc/67/13/81/549671381.db2.gz XOCJSNYLBLEFPM-MRXNPFEDSA-N 1 0 358.486 2.197 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000253407137 549686825 /nfs/dbraw/zinc/68/68/25/549686825.db2.gz JOESMOONTSNGKT-HNAYVOBHSA-N 1 0 368.481 2.189 50 0 FEAARO COc1ccc([C@H](C)NC(=O)COC2CC[NH2+]CC2)cc1Br ZINC000261819472 549759019 /nfs/dbraw/zinc/75/90/19/549759019.db2.gz AOIGVGNVWSSGTC-NSHDSACASA-N 1 0 371.275 2.404 50 0 FEAARO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(-c4cnn(C)c4)s3)C2=O)n(C)n1 ZINC000282385796 551221272 /nfs/dbraw/zinc/22/12/72/551221272.db2.gz ZLLOMBOVRAEUOI-OAHLLOKOSA-N 1 0 370.482 2.086 50 0 FEAARO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284292812 551516644 /nfs/dbraw/zinc/51/66/44/551516644.db2.gz KJHJDILFQMWQNH-ZDUSSCGKSA-N 1 0 368.909 2.385 50 0 FEAARO C[NH+]1CCC(CC(=O)N2CCOC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000291710660 552653624 /nfs/dbraw/zinc/65/36/24/552653624.db2.gz PVUYHCMQHWSZJV-KRWDZBQOSA-N 1 0 370.453 2.368 50 0 FEAARO Cn1ncc2c1nc(N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)nc2N ZINC000328807130 553825302 /nfs/dbraw/zinc/82/53/02/553825302.db2.gz NOMOOVUBLIEONZ-INIZCTEOSA-N 1 0 365.485 2.658 50 0 FEAARO Cc1n[nH]cc1C1CCN(c2cc(N3CCCC[C@H]3CO)ncn2)CC1 ZINC000376460644 558176198 /nfs/dbraw/zinc/17/61/98/558176198.db2.gz JLXNRRFHEXQCGP-INIZCTEOSA-N 1 0 356.474 2.243 50 0 FEAARO [NH3+]CCOc1cccc(CC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c1 ZINC000426496813 559735828 /nfs/dbraw/zinc/73/58/28/559735828.db2.gz FWLGRNJKJZTTAE-HXUWFJFHSA-N 1 0 369.465 2.169 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000426541575 559737326 /nfs/dbraw/zinc/73/73/26/559737326.db2.gz SRNHSGMHOJJIEG-SFHVURJKSA-N 1 0 372.513 2.079 50 0 FEAARO Nc1nc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)cs1 ZINC000426555794 559737687 /nfs/dbraw/zinc/73/76/87/559737687.db2.gz CQVAHQGKTHJIEH-BBWFWOEESA-N 1 0 356.495 2.610 50 0 FEAARO Cc1cc(=O)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000426613009 559739029 /nfs/dbraw/zinc/73/90/29/559739029.db2.gz VWKUCAXTMJHZAA-GOSISDBHSA-N 1 0 353.466 2.336 50 0 FEAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@H](C)c2nc(-c3ccccn3)no2)c1 ZINC000426627619 559739289 /nfs/dbraw/zinc/73/92/89/559739289.db2.gz DHJAZEBQQMNBQM-CYBMUJFWSA-N 1 0 367.409 2.269 50 0 FEAARO Cc1cnc(CSc2nnc(C3CC[NH2+]CC3)n2C[C@H]2CCCO2)cn1 ZINC000426739720 559741274 /nfs/dbraw/zinc/74/12/74/559741274.db2.gz JIXATELEJWCRBP-MRXNPFEDSA-N 1 0 374.514 2.315 50 0 FEAARO CCc1nccn1CCNC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000534584405 562537440 /nfs/dbraw/zinc/53/74/40/562537440.db2.gz SLTRDJVGPMEAIR-UHFFFAOYSA-N 1 0 356.474 2.071 50 0 FEAARO CCn1cnnc1CN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000534653738 562539314 /nfs/dbraw/zinc/53/93/14/562539314.db2.gz HHKYMFBHAKVGTH-KRWDZBQOSA-N 1 0 370.501 2.270 50 0 FEAARO CCOc1ccc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)nn1 ZINC000534663265 562539893 /nfs/dbraw/zinc/53/98/93/562539893.db2.gz HNKBLFZIWFTMTE-KRWDZBQOSA-N 1 0 352.438 2.463 50 0 FEAARO Cc1nc2ccccn2c1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000216037559 568102013 /nfs/dbraw/zinc/10/20/13/568102013.db2.gz ARCFDOASRLHJCY-UHFFFAOYSA-N 1 0 370.497 2.337 50 0 FEAARO O=c1cc(C[NH+]2CCCC2)nc2[nH]c(NCc3ccc(Cl)cc3)nn21 ZINC000101795847 570860505 /nfs/dbraw/zinc/86/05/05/570860505.db2.gz DZMJXQJCDDBJRC-UHFFFAOYSA-N 1 0 358.833 2.279 50 0 FEAARO COc1ccc(C[N@H+](C[C@H](O)COC(C)C)C[C@H]2CCCO2)cc1OC ZINC000104972979 570865859 /nfs/dbraw/zinc/86/58/59/570865859.db2.gz SNPSRDWCJOSWNY-ZWKOTPCHSA-N 1 0 367.486 2.471 50 0 FEAARO CCNC(=O)COc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1OC ZINC000105468818 570872902 /nfs/dbraw/zinc/87/29/02/570872902.db2.gz IPXQDQCBVNTQGE-INIZCTEOSA-N 1 0 356.422 2.433 50 0 FEAARO COc1ccc2[nH]c(CNC(=O)[C@H]3CCC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000670472556 571052878 /nfs/dbraw/zinc/05/28/78/571052878.db2.gz BRGIMTHCYOYELE-AWEZNQCLSA-N 1 0 372.469 2.079 50 0 FEAARO Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nn1 ZINC000333803399 571203852 /nfs/dbraw/zinc/20/38/52/571203852.db2.gz IEQOGYRGJTXPKB-RDTXWAMCSA-N 1 0 357.433 2.319 50 0 FEAARO CN(C(=O)CSc1nnc([C@@H]2CCC[NH2+]C2)n1C)C1CCCCC1 ZINC000426386244 571217898 /nfs/dbraw/zinc/21/78/98/571217898.db2.gz BPWNOACEJILKSD-CYBMUJFWSA-N 1 0 351.520 2.165 50 0 FEAARO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(OC)nc(OC)n3)cc2)C1 ZINC000426470666 571226819 /nfs/dbraw/zinc/22/68/19/571226819.db2.gz OWPUOUILNKQLPX-AWEZNQCLSA-N 1 0 370.453 2.232 50 0 FEAARO CC[C@@H](NC(=O)N1CCC([NH+]2CCC(O)CC2)CC1)c1cccc(C)n1 ZINC000584884228 571313345 /nfs/dbraw/zinc/31/33/45/571313345.db2.gz VPIOZADXNNRKQC-GOSISDBHSA-N 1 0 360.502 2.472 50 0 FEAARO O=C([C@H]1CCCO1)N1CCC([NH2+]Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000584900306 571316083 /nfs/dbraw/zinc/31/60/83/571316083.db2.gz FMYKTCFMGZXFDG-MRXNPFEDSA-N 1 0 374.416 2.135 50 0 FEAARO CS(=O)(=O)CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670459173 571356193 /nfs/dbraw/zinc/35/61/93/571356193.db2.gz YUAHCAAASUTHCJ-KRWDZBQOSA-N 1 0 352.500 2.155 50 0 FEAARO COc1ccc(F)cc1[C@H](C(=O)[O-])[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000095388565 670759213 /nfs/dbraw/zinc/75/92/13/670759213.db2.gz XIGFTJMOFLSLJW-QGZVFWFLSA-N 1 0 354.422 2.003 50 0 FEAARO CC(C)C[N@H+](C1CN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCOCC1 ZINC000169785877 672322354 /nfs/dbraw/zinc/32/23/54/672322354.db2.gz TZTJUCVFXFFRBN-UHFFFAOYSA-N 1 0 370.490 2.336 50 0 FEAARO CCCN(C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000178935067 672397234 /nfs/dbraw/zinc/39/72/34/672397234.db2.gz JJEYGOPFRTWRID-AWEZNQCLSA-N 1 0 360.426 2.038 50 0 FEAARO CCN(C)[C@@H](C)c1nc(CC(N)=O)nn1-c1ccc(C(F)(F)F)cc1 ZINC000952964389 681792568 /nfs/dbraw/zinc/79/25/68/681792568.db2.gz QBRAYEQRJWULKG-JTQLQIEISA-N 1 0 355.364 2.327 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c4c(sc3ncn2n1)CCC4 ZINC000002442962 539348154 /nfs/dbraw/zinc/34/81/54/539348154.db2.gz MIEAXXOKHGYPJB-UHFFFAOYSA-N 1 0 372.498 2.289 50 0 FEAARO O[C@@H](COC[C@H]1COc2ccccc2O1)C[N@@H+]1CCc2ccccc2C1 ZINC000002686941 539350685 /nfs/dbraw/zinc/35/06/85/539350685.db2.gz HQPGNKIUOKFOLY-MOPGFXCFSA-N 1 0 355.434 2.262 50 0 FEAARO C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCC[NH+](C)C ZINC000002683935 539350940 /nfs/dbraw/zinc/35/09/40/539350940.db2.gz KUXDDGQJCLVJDD-MRXNPFEDSA-N 1 0 353.466 2.001 50 0 FEAARO CCC[NH+](CCC)CCCNS(=O)(=O)c1cccc2nsnc21 ZINC000002926030 539357060 /nfs/dbraw/zinc/35/70/60/539357060.db2.gz BGOZZMYIXCEINT-UHFFFAOYSA-N 1 0 356.517 2.482 50 0 FEAARO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH+]1CCC(C(N)=O)CC1 ZINC000004686700 539390131 /nfs/dbraw/zinc/39/01/31/539390131.db2.gz IGKVQKLZNRUZDG-UHFFFAOYSA-N 1 0 360.410 2.315 50 0 FEAARO Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000004802473 539393015 /nfs/dbraw/zinc/39/30/15/539393015.db2.gz KJRCIJFHPHNTER-CYVLTUHYSA-N 1 0 351.450 2.444 50 0 FEAARO C[NH+](C)CCNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000005207911 539405370 /nfs/dbraw/zinc/40/53/70/539405370.db2.gz AJUMIPWSATUTFO-UHFFFAOYSA-N 1 0 367.371 2.207 50 0 FEAARO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000005351188 539409609 /nfs/dbraw/zinc/40/96/09/539409609.db2.gz VABQQEZQCVSIKW-KGWSRGFLSA-N 1 0 369.465 2.252 50 0 FEAARO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCCCCC2)ccc1Cl ZINC000005833940 539417827 /nfs/dbraw/zinc/41/78/27/539417827.db2.gz RREQXCYDSLMFGT-UHFFFAOYSA-N 1 0 373.906 2.405 50 0 FEAARO O=C(CCn1cnc2ccccc21)NC1CC[NH+](C2CCOCC2)CC1 ZINC000220015451 222711981 /nfs/dbraw/zinc/71/19/81/222711981.db2.gz UKGNKWRITHOJOR-UHFFFAOYSA-N 1 0 356.470 2.186 50 0 FEAARO Cc1ccc2nc(N3CC[NH+](C4CCCCC4)CC3)c3nnnn3c2c1 ZINC000006941480 539441937 /nfs/dbraw/zinc/44/19/37/539441937.db2.gz LFPHUCGYAITKHB-UHFFFAOYSA-N 1 0 351.458 2.436 50 0 FEAARO C[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc2c(c1)CCCC2 ZINC000007371795 539455877 /nfs/dbraw/zinc/45/58/77/539455877.db2.gz FYNNVKGIGZDDKR-LLVKDONJSA-N 1 0 357.483 2.489 50 0 FEAARO CC[NH+]1CCN(c2nc3nccnc3c(Nc3ccc(OC)cc3)n2)CC1 ZINC000009074311 539497721 /nfs/dbraw/zinc/49/77/21/539497721.db2.gz BLSBEZVIWFPIQD-UHFFFAOYSA-N 1 0 365.441 2.314 50 0 FEAARO O=C(CNC(=O)Cc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000009254928 539499677 /nfs/dbraw/zinc/49/96/77/539499677.db2.gz HSTWUFAPPKTOAK-UHFFFAOYSA-N 1 0 365.477 2.258 50 0 FEAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)C[NH2+]Cc1ccncc1 ZINC000011754179 539535125 /nfs/dbraw/zinc/53/51/25/539535125.db2.gz WTQAFQZOPKROJZ-IBGZPJMESA-N 1 0 361.392 2.003 50 0 FEAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCCO4)CC3)CC2)n1 ZINC000011937650 539539957 /nfs/dbraw/zinc/53/99/57/539539957.db2.gz NGVWHORLZCTFLY-UHFFFAOYSA-N 1 0 372.513 2.230 50 0 FEAARO Cc1c(C(=O)NC2CCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000012160306 539547501 /nfs/dbraw/zinc/54/75/01/539547501.db2.gz QWAKAZMIHJNYBY-UHFFFAOYSA-N 1 0 359.499 2.424 50 0 FEAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCOCC3)C2)[nH]n1 ZINC000012316664 539554145 /nfs/dbraw/zinc/55/41/45/539554145.db2.gz YJYAZLZCGOIMPW-QGZVFWFLSA-N 1 0 362.518 2.459 50 0 FEAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(OC)c1 ZINC000012613352 539568201 /nfs/dbraw/zinc/56/82/01/539568201.db2.gz HKTCHQDZAFTANR-UHFFFAOYSA-N 1 0 356.426 2.103 50 0 FEAARO COc1ncc(C[N@@H+]2CC[C@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000014970148 539608027 /nfs/dbraw/zinc/60/80/27/539608027.db2.gz ARNUJDABKWNGAP-KRWDZBQOSA-N 1 0 354.458 2.014 50 0 FEAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)CN1C1Cc2ccccc2C1 ZINC000023158911 539708310 /nfs/dbraw/zinc/70/83/10/539708310.db2.gz FACBASPOBMVMNS-UNMCSNQZSA-N 1 0 363.505 2.441 50 0 FEAARO CCOc1ccc(CN2CC[N@H+](CCCn3cccn3)C[C@@H]2CCO)cc1 ZINC000022932840 539703780 /nfs/dbraw/zinc/70/37/80/539703780.db2.gz YUWZMPHKYONFJP-FQEVSTJZSA-N 1 0 372.513 2.241 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000023106687 539706087 /nfs/dbraw/zinc/70/60/87/539706087.db2.gz QEKHUVCLCXZHKM-OAHLLOKOSA-N 1 0 374.466 2.064 50 0 FEAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)[NH+](C)C)cc1 ZINC000025174666 539750342 /nfs/dbraw/zinc/75/03/42/539750342.db2.gz KJGFTTFSZYFDMT-KRWDZBQOSA-N 1 0 369.421 2.059 50 0 FEAARO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507765 539760774 /nfs/dbraw/zinc/76/07/74/539760774.db2.gz GJLULJIQVCYPGX-LPHOPBHVSA-N 1 0 357.498 2.054 50 0 FEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000000895258 219338077 /nfs/dbraw/zinc/33/80/77/219338077.db2.gz UGKLVHPWAPDNET-UHFFFAOYSA-N 1 0 364.442 2.308 50 0 FEAARO C[C@@H](NC(=O)c1ccccc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837615 539866526 /nfs/dbraw/zinc/86/65/26/539866526.db2.gz KZDBHQOAXVOYQS-QGZVFWFLSA-N 1 0 365.477 2.370 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CN1c2ccccc2OCCC1=O)c1ccccc1 ZINC000032747846 539951210 /nfs/dbraw/zinc/95/12/10/539951210.db2.gz LRQQWSWNSHUQGK-GOSISDBHSA-N 1 0 367.449 2.221 50 0 FEAARO CC[C@@H](CNS(=O)(=O)N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000032825769 539955467 /nfs/dbraw/zinc/95/54/67/539955467.db2.gz UXACIDJFPHEHTR-IBGZPJMESA-N 1 0 365.543 2.390 50 0 FEAARO Cc1nc2ccccc2c(=O)n1CCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000032931444 539960418 /nfs/dbraw/zinc/96/04/18/539960418.db2.gz KEOCWNRNFOJZFB-HNNXBMFYSA-N 1 0 356.470 2.086 50 0 FEAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)nnn1-c1cccc2cnccc21 ZINC000225476303 222843310 /nfs/dbraw/zinc/84/33/10/222843310.db2.gz VSPWKGPJZFDUMA-IUODEOHRSA-N 1 0 350.426 2.076 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2cc(C)ccc2NC1=O ZINC000033585444 539975332 /nfs/dbraw/zinc/97/53/32/539975332.db2.gz OJJVXOQKRGGSGH-IAGYGMIVSA-N 1 0 369.465 2.172 50 0 FEAARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1cccnc1 ZINC000033581957 539974676 /nfs/dbraw/zinc/97/46/76/539974676.db2.gz ZJCDQMPFJDDDPF-JTHGQSKGSA-N 1 0 367.405 2.214 50 0 FEAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036095051 539987263 /nfs/dbraw/zinc/98/72/63/539987263.db2.gz HHHKCJZWPAKWLI-INIZCTEOSA-N 1 0 355.475 2.328 50 0 FEAARO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)NC(=O)N[C@H]1C ZINC000040040773 540004448 /nfs/dbraw/zinc/00/44/48/540004448.db2.gz SAAXFIUAGUJFQO-GOEBONIOSA-N 1 0 357.454 2.212 50 0 FEAARO NC(=O)C1CC[NH+](CCCNC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000040118832 540007100 /nfs/dbraw/zinc/00/71/00/540007100.db2.gz YQKRSXGJSUMETR-UHFFFAOYSA-N 1 0 373.428 2.403 50 0 FEAARO Cc1nn2c(nnc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccccc1 ZINC000040390891 540009636 /nfs/dbraw/zinc/00/96/36/540009636.db2.gz SGBZQLVVXFTECX-UHFFFAOYSA-N 1 0 362.437 2.366 50 0 FEAARO CCn1c(CN(C)Cc2nc3ccccc3n2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244678970 222929376 /nfs/dbraw/zinc/92/93/76/222929376.db2.gz INHHZDSAIZNVDV-OKILXGFUSA-N 1 0 353.474 2.021 50 0 FEAARO C[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694877 540604297 /nfs/dbraw/zinc/60/42/97/540604297.db2.gz KBYQNRLMSZBSRZ-MRXNPFEDSA-N 1 0 370.419 2.237 50 0 FEAARO CCOc1cc(CNCCC[NH+](C)C)ccc1OCC(=O)NC(C)(C)C ZINC000008254407 219855610 /nfs/dbraw/zinc/85/56/10/219855610.db2.gz FHUUDHLOULCJIX-UHFFFAOYSA-N 1 0 365.518 2.420 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000299739252 223077802 /nfs/dbraw/zinc/07/78/02/223077802.db2.gz MIWVWKJPCNJDKB-ZDUSSCGKSA-N 1 0 367.287 2.305 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)[C@H]1CCCCN1C(=O)C1CC1 ZINC000299766391 223087040 /nfs/dbraw/zinc/08/70/40/223087040.db2.gz CYTXYGWRRTYSLY-GOSISDBHSA-N 1 0 359.470 2.151 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)C1(N2CCOCC2)CCCCC1 ZINC000299771473 223089039 /nfs/dbraw/zinc/08/90/39/223089039.db2.gz YMPOJYHGGSBHMY-UHFFFAOYSA-N 1 0 359.514 2.400 50 0 FEAARO O=C(NCCC[N@H+]1CCC[C@H](CO)C1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000299783481 223094539 /nfs/dbraw/zinc/09/45/39/223094539.db2.gz VEHJSPLANTUXLD-HNNXBMFYSA-N 1 0 357.458 2.293 50 0 FEAARO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3[nH]c4ccccc4c3C)C[C@H]2O)no1 ZINC000299791612 223098726 /nfs/dbraw/zinc/09/87/26/223098726.db2.gz DMGZCTUIAIYZJY-VQIMIIECSA-N 1 0 368.437 2.138 50 0 FEAARO Cn1ccn2ncc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+]3CCCC3)c12 ZINC000299798902 223103128 /nfs/dbraw/zinc/10/31/28/223103128.db2.gz RWYUBISDVATFLI-KRWDZBQOSA-N 1 0 355.417 2.379 50 0 FEAARO O=C(NCCn1ccnc1)[C@@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC000011784780 219932886 /nfs/dbraw/zinc/93/28/86/219932886.db2.gz RTZQIUCUKUTBHQ-IBGZPJMESA-N 1 0 352.482 2.344 50 0 FEAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)o1 ZINC000067975934 541535023 /nfs/dbraw/zinc/53/50/23/541535023.db2.gz IJUMLMFZYHBGPX-CQSZACIVSA-N 1 0 371.393 2.236 50 0 FEAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 ZINC000012469897 220000563 /nfs/dbraw/zinc/00/05/63/220000563.db2.gz DABNYZMNGFUNEK-NRFANRHFSA-N 1 0 372.513 2.293 50 0 FEAARO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000072072086 541782371 /nfs/dbraw/zinc/78/23/71/541782371.db2.gz XAMVFSPHWNBYSZ-AWEZNQCLSA-N 1 0 365.478 2.173 50 0 FEAARO Cc1c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cnn1C ZINC000072133117 541785045 /nfs/dbraw/zinc/78/50/45/541785045.db2.gz BCQOHDXXGHCQEV-OAHLLOKOSA-N 1 0 354.520 2.194 50 0 FEAARO Cc1cc(C)c2[nH]c(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)cc(=O)c2c1 ZINC000072153175 541790776 /nfs/dbraw/zinc/79/07/76/541790776.db2.gz NKJMCDJEUGCZOV-GOSISDBHSA-N 1 0 355.482 2.442 50 0 FEAARO CCN1C(=O)NC(=O)C12CC[NH+](Cc1cc3c(cc1OC)CCC3)CC2 ZINC000072156011 541791308 /nfs/dbraw/zinc/79/13/08/541791308.db2.gz VOXRNHWGMJNMTH-UHFFFAOYSA-N 1 0 357.454 2.090 50 0 FEAARO CCc1nc2c(cnn2C)c(N2CCCN(c3cc[nH+]cc3C)CC2)n1 ZINC000072156294 541791882 /nfs/dbraw/zinc/79/18/82/541791882.db2.gz GBALNMGQMVTBTB-UHFFFAOYSA-N 1 0 351.458 2.346 50 0 FEAARO COc1cc(Cl)ccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072162326 541792177 /nfs/dbraw/zinc/79/21/77/541792177.db2.gz VIUMOCNNXIBLMX-OAHLLOKOSA-N 1 0 352.862 2.410 50 0 FEAARO O=S(=O)(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCCCC1 ZINC000072163971 541793208 /nfs/dbraw/zinc/79/32/08/541793208.db2.gz SEKOAXXJELFUIM-IBGZPJMESA-N 1 0 365.543 2.404 50 0 FEAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCC(Nc2ncccn2)CC1 ZINC000072170369 541795172 /nfs/dbraw/zinc/79/51/72/541795172.db2.gz ZZINVFSITHXNFN-HNNXBMFYSA-N 1 0 351.454 2.270 50 0 FEAARO CC(C)(C)c1nc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)no1 ZINC000072407774 541805875 /nfs/dbraw/zinc/80/58/75/541805875.db2.gz RFDTXNNKVRCJNK-GOSISDBHSA-N 1 0 372.513 2.478 50 0 FEAARO CCc1oc(C(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3C)cc1C[NH+]1CCCC1 ZINC000072419709 541807921 /nfs/dbraw/zinc/80/79/21/541807921.db2.gz CNJUISSJIWGIBY-GOEBONIOSA-N 1 0 359.470 2.131 50 0 FEAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000072420369 541809232 /nfs/dbraw/zinc/80/92/32/541809232.db2.gz IQFMWNYDOIHLBR-LJQANCHMSA-N 1 0 369.513 2.335 50 0 FEAARO C[C@H](Cn1cncn1)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072425352 541810762 /nfs/dbraw/zinc/81/07/62/541810762.db2.gz MVGLNUVLMQTLEZ-QGZVFWFLSA-N 1 0 369.469 2.196 50 0 FEAARO COc1ccc(CCN(C)c2nc(C)nc3c2CC[NH2+]CC3)cc1OC ZINC000072434498 541813471 /nfs/dbraw/zinc/81/34/71/541813471.db2.gz ALHOJQNKWBUKCZ-UHFFFAOYSA-N 1 0 356.470 2.169 50 0 FEAARO CCNc1nc(NCCNC(=O)c2cccc(OC)c2OC)cc(C)[nH+]1 ZINC000072437570 541814464 /nfs/dbraw/zinc/81/44/64/541814464.db2.gz VHQJKUKZDCHGCN-UHFFFAOYSA-N 1 0 359.430 2.076 50 0 FEAARO NC(=O)c1cc2c(nc1N[C@H]1CCC[N@H+](Cc3ccccn3)C1)CCC2 ZINC000072429380 541811532 /nfs/dbraw/zinc/81/15/32/541811532.db2.gz IXSHTRJXNFBHQD-INIZCTEOSA-N 1 0 351.454 2.141 50 0 FEAARO CNC(=O)c1cc(Cl)ccc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072429039 541811558 /nfs/dbraw/zinc/81/15/58/541811558.db2.gz UKPVIHHRLUBUEI-UHFFFAOYSA-N 1 0 370.844 2.242 50 0 FEAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3c(C)nc4ccccn43)CC[C@H]21 ZINC000072480270 541821153 /nfs/dbraw/zinc/82/11/53/541821153.db2.gz MEPJUNGWTFVDND-ZWKOTPCHSA-N 1 0 370.497 2.492 50 0 FEAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccccc1OC[C@@H]1CCCO1 ZINC000072479038 541821663 /nfs/dbraw/zinc/82/16/63/541821663.db2.gz SKRANTLMDVZUHK-KRWDZBQOSA-N 1 0 370.453 2.115 50 0 FEAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3nonc3C)C2)cc1 ZINC000012718859 220021147 /nfs/dbraw/zinc/02/11/47/220021147.db2.gz BWFFWCZVPPIVQV-KRWDZBQOSA-N 1 0 372.469 2.413 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000013117914 220058368 /nfs/dbraw/zinc/05/83/68/220058368.db2.gz QPVDJBPHHAXGSN-HIFRSBDPSA-N 1 0 367.515 2.304 50 0 FEAARO COC(=O)C1C(C[N@@H+]2CCC[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566278 220074278 /nfs/dbraw/zinc/07/42/78/220074278.db2.gz CESBUDCKGYCTQM-FZKQIMNGSA-N 1 0 373.453 2.208 50 0 FEAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000014742704 220130390 /nfs/dbraw/zinc/13/03/90/220130390.db2.gz WMOHOEFSVAIELB-QGZVFWFLSA-N 1 0 374.529 2.401 50 0 FEAARO CCOC(=O)N1CCC([NH+]2CCC(CCOC)(C(=O)OCC)CC2)CC1 ZINC000014960273 220136902 /nfs/dbraw/zinc/13/69/02/220136902.db2.gz YXIJZKRCGQTCSE-UHFFFAOYSA-N 1 0 370.490 2.289 50 0 FEAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCCCn1ccnc1)C[C@H](C)O2 ZINC000014995059 220140132 /nfs/dbraw/zinc/14/01/32/220140132.db2.gz QYCKLEBBBSZSIQ-KRWDZBQOSA-N 1 0 356.470 2.371 50 0 FEAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000016339198 220182301 /nfs/dbraw/zinc/18/23/01/220182301.db2.gz KZVPHDSAESOTCH-GOSISDBHSA-N 1 0 360.454 2.244 50 0 FEAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000016339199 220182596 /nfs/dbraw/zinc/18/25/96/220182596.db2.gz KZVPHDSAESOTCH-SFHVURJKSA-N 1 0 360.454 2.244 50 0 FEAARO C[NH+](C)CCCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000016649671 220189375 /nfs/dbraw/zinc/18/93/75/220189375.db2.gz MFNIMSADCRPXPP-UHFFFAOYSA-N 1 0 351.878 2.260 50 0 FEAARO COc1ccc(OCC(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019556775 220270550 /nfs/dbraw/zinc/27/05/50/220270550.db2.gz KHWMYTSEJQOBMD-FGTMMUONSA-N 1 0 356.466 2.430 50 0 FEAARO CCNc1nc(NCCNC(=O)c2cc(OC)cc(OC)c2)cc(C)[nH+]1 ZINC000077136013 542347031 /nfs/dbraw/zinc/34/70/31/542347031.db2.gz ZYFPMQGLMAVZSR-UHFFFAOYSA-N 1 0 359.430 2.076 50 0 FEAARO Cc1cccc(OC[C@@H]2CCCN(C(=O)C3CC[NH+](CCO)CC3)C2)c1 ZINC000077341437 542369562 /nfs/dbraw/zinc/36/95/62/542369562.db2.gz ILACLTCLQQQTER-GOSISDBHSA-N 1 0 360.498 2.317 50 0 FEAARO COCC(=O)NCc1cc2n(n1)CC[N@H+](CC[C@@H](C)c1ccc(C)o1)C2 ZINC000299756287 533064841 /nfs/dbraw/zinc/06/48/41/533064841.db2.gz KYHCDFWPLXOWSR-CQSZACIVSA-N 1 0 360.458 2.057 50 0 FEAARO C[C@H](Cn1cncn1)[NH+]1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000019742223 220291178 /nfs/dbraw/zinc/29/11/78/220291178.db2.gz CILYSHKWXWAFLI-CQSZACIVSA-N 1 0 355.421 2.401 50 0 FEAARO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000020100473 220313138 /nfs/dbraw/zinc/31/31/38/220313138.db2.gz VPLKECPVEUDQID-UHFFFAOYSA-N 1 0 362.445 2.449 50 0 FEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)COc1ccc2c(c1)OCO2 ZINC000077356245 542371849 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CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(C)c2)C[N@@H+]1CC1CCCC1 ZINC000096137239 222041630 /nfs/dbraw/zinc/04/16/30/222041630.db2.gz RFVRVUKRLFPDRM-PMACEKPBSA-N 1 0 371.525 2.423 50 0 FEAARO COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C3)c1 ZINC000096148826 222049878 /nfs/dbraw/zinc/04/98/78/222049878.db2.gz TVPQPINETVGONC-CABCVRRESA-N 1 0 354.454 2.488 50 0 FEAARO C[C@@H](C[N@@H+]1CCCN(S(=O)(=O)N2CCCC2)CC1)c1ccccc1 ZINC000097546585 222189951 /nfs/dbraw/zinc/18/99/51/222189951.db2.gz VQFJWWPLZNGSEI-KRWDZBQOSA-N 1 0 351.516 2.138 50 0 FEAARO Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000097103619 222160446 /nfs/dbraw/zinc/16/04/46/222160446.db2.gz QTURIFSQUVPGAY-UHFFFAOYSA-N 1 0 356.536 2.261 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cnnc2)nc1 ZINC000097137804 222162816 /nfs/dbraw/zinc/16/28/16/222162816.db2.gz DHVOAPDMPMZPBR-HNNXBMFYSA-N 1 0 368.466 2.118 50 0 FEAARO Cc1nc2c(c(NCC[NH+]3CCC(CO)CC3)n1)Cc1ccccc1OC2 ZINC000097137519 222163243 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2.466 50 0 FEAARO Nc1nc(CCC(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)cs1 ZINC000097729800 222208341 /nfs/dbraw/zinc/20/83/41/222208341.db2.gz HYBWQIPZWYTOQF-MRXNPFEDSA-N 1 0 359.499 2.396 50 0 FEAARO O=C(c1cc(-c2ccncc2)n[nH]1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097815104 222214314 /nfs/dbraw/zinc/21/43/14/222214314.db2.gz IWZZNVCVRUSPHQ-UHFFFAOYSA-N 1 0 357.483 2.125 50 0 FEAARO COc1ccccc1Cc1nc([C@H]2C[NH2+]CCO2)n(-c2cccc(C)n2)n1 ZINC000097819665 222215038 /nfs/dbraw/zinc/21/50/38/222215038.db2.gz JKHGZTCVVAHCHE-QGZVFWFLSA-N 1 0 365.437 2.231 50 0 FEAARO Cn1ccc(C(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1=O ZINC000097823566 222216411 /nfs/dbraw/zinc/21/64/11/222216411.db2.gz HFLJXJASEBLHFT-GOSISDBHSA-N 1 0 353.466 2.070 50 0 FEAARO C[NH+](C)Cc1ccccc1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000102802863 222308237 /nfs/dbraw/zinc/30/82/37/222308237.db2.gz NLRVXJZZJFAIDL-HZPDHXFCSA-N 1 0 357.454 2.252 50 0 FEAARO Cc1cnccc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000107405216 222393707 /nfs/dbraw/zinc/39/37/07/222393707.db2.gz GUGYLNSOWYKRAJ-OAQYLSRUSA-N 1 0 356.514 2.299 50 0 FEAARO O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@@H]1C[NH2+]CCO1 ZINC000150784715 544470605 /nfs/dbraw/zinc/47/06/05/544470605.db2.gz GJXBEGHEYXZDAA-ZDUSSCGKSA-N 1 0 355.225 2.165 50 0 FEAARO O=C(NCCN1CC[NH2+]CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000416851327 263563788 /nfs/dbraw/zinc/56/37/88/263563788.db2.gz QTKPVSRJRUPWIK-HXUWFJFHSA-N 1 0 352.482 2.175 50 0 FEAARO C[C@H](C(=O)NCc1nc(N(C)C)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000193891954 328400753 /nfs/dbraw/zinc/40/07/53/328400753.db2.gz YTZGWDXSDPTHJG-OAHLLOKOSA-N 1 0 371.485 2.095 50 0 FEAARO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367071266 330213488 /nfs/dbraw/zinc/21/34/88/330213488.db2.gz AUZZSCKCBGKJIR-GOSISDBHSA-N 1 0 352.862 2.467 50 0 FEAARO COc1ccc(Cn2nc(C(=O)NC3CCCC3)c3c2CC[NH2+]C3)cc1 ZINC000299798551 533898003 /nfs/dbraw/zinc/89/80/03/533898003.db2.gz UPWFDNOXDXMEIA-UHFFFAOYSA-N 1 0 354.454 2.258 50 0 FEAARO CC(C)=CC[NH+]1CCC(NCc2cc3n(n2)CCCN(C(C)=O)C3)CC1 ZINC000082091170 519427590 /nfs/dbraw/zinc/42/75/90/519427590.db2.gz RZDCBVINENVXGX-UHFFFAOYSA-N 1 0 359.518 2.156 50 0 FEAARO CC(C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]c(=O)n1 ZINC000214951622 519429501 /nfs/dbraw/zinc/42/95/01/519429501.db2.gz VLOGTGVKXWOYNJ-KRWDZBQOSA-N 1 0 368.481 2.220 50 0 FEAARO CCc1cccc(OC2CN(C(=O)CC[C@H](C)[NH+]3CCN(C)CC3)C2)c1 ZINC000091548308 521771459 /nfs/dbraw/zinc/77/14/59/521771459.db2.gz NEEPPGDPFXLFKG-KRWDZBQOSA-N 1 0 359.514 2.255 50 0 FEAARO COC(=O)c1ccc(C[NH2+]Cc2cccnc2N2CCC[C@H](O)C2)cc1 ZINC000020205910 522033703 /nfs/dbraw/zinc/03/37/03/522033703.db2.gz KSCBAFOBQXQHEP-SFHVURJKSA-N 1 0 355.438 2.119 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000178967442 522056850 /nfs/dbraw/zinc/05/68/50/522056850.db2.gz YNUOYYXKOZOZJJ-INIZCTEOSA-N 1 0 372.490 2.342 50 0 FEAARO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000089313995 522098023 /nfs/dbraw/zinc/09/80/23/522098023.db2.gz XOSMGDBXDMIMDM-CVEARBPZSA-N 1 0 359.470 2.181 50 0 FEAARO CC(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CCN(c2cccc(Cl)c2)CC1 ZINC000223882086 534674129 /nfs/dbraw/zinc/67/41/29/534674129.db2.gz NHOZJAIVCFOACA-FCGDIQPGSA-N 1 0 363.889 2.190 50 0 FEAARO CCc1c(C(=O)N2CC[C@@H](C[NH2+]C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000179028336 523686450 /nfs/dbraw/zinc/68/64/50/523686450.db2.gz PBQOXRNJKCEMCV-HNNXBMFYSA-N 1 0 371.485 2.298 50 0 FEAARO CCc1cc(N[C@H]2CC[C@H](n3cnnc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000244828537 523825609 /nfs/dbraw/zinc/82/56/09/523825609.db2.gz TYAUFIZJZPXVSC-WKILWMFISA-N 1 0 357.462 2.063 50 0 FEAARO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091563009 524276713 /nfs/dbraw/zinc/27/67/13/524276713.db2.gz KURKPPHZZWURKK-KRWDZBQOSA-N 1 0 373.497 2.101 50 0 FEAARO Cc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)c(F)c1 ZINC000091626378 524444271 /nfs/dbraw/zinc/44/42/71/524444271.db2.gz YKBCTKSCPGSPJU-UHFFFAOYSA-N 1 0 369.448 2.282 50 0 FEAARO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000158188164 525578070 /nfs/dbraw/zinc/57/80/70/525578070.db2.gz QCIILCDZVDWVIX-RYUDHWBXSA-N 1 0 363.405 2.161 50 0 FEAARO C[C@H](O)c1cn(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)nn1 ZINC000020138460 525861283 /nfs/dbraw/zinc/86/12/83/525861283.db2.gz GSZHVKTYYHXOKS-HNNXBMFYSA-N 1 0 352.442 2.354 50 0 FEAARO Cc1ccc(-n2nc(Br)cc2C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000178544763 525925719 /nfs/dbraw/zinc/92/57/19/525925719.db2.gz ALITWMIWUGJBFB-LBPRGKRZSA-N 1 0 363.259 2.364 50 0 FEAARO O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238008637 526809486 /nfs/dbraw/zinc/80/94/86/526809486.db2.gz ZWZJDDRXKXCGHZ-CHWSQXEVSA-N 1 0 371.384 2.168 50 0 FEAARO Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000252670095 527104587 /nfs/dbraw/zinc/10/45/87/527104587.db2.gz JNTZBBBLLKMWLM-FRRDWIJNSA-N 1 0 360.487 2.293 50 0 FEAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)cn1 ZINC000091526762 527188855 /nfs/dbraw/zinc/18/88/55/527188855.db2.gz WMKMXCXVPVFMPS-UHFFFAOYSA-N 1 0 367.497 2.262 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)C1 ZINC000178573180 527238174 /nfs/dbraw/zinc/23/81/74/527238174.db2.gz XLQCVIXGVSKMGI-YYRQZUAOSA-N 1 0 367.243 2.041 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000158234036 527346815 /nfs/dbraw/zinc/34/68/15/527346815.db2.gz IKQGEASPDPOERJ-NEPJUHHUSA-N 1 0 356.253 2.296 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)C1 ZINC000269262492 527369601 /nfs/dbraw/zinc/36/96/01/527369601.db2.gz RMQKOFHYIWZKTM-CFVMTHIKSA-N 1 0 353.260 2.476 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@H](CNC(=O)Cc3nonc3C)O2)CC1 ZINC000299797519 527430093 /nfs/dbraw/zinc/43/00/93/527430093.db2.gz NDNINKALUUZGLH-MRXNPFEDSA-N 1 0 362.474 2.017 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3nc4ccccn4c3F)cc2C1 ZINC000299785189 528487926 /nfs/dbraw/zinc/48/79/26/528487926.db2.gz QRFXTNYNLRUGOC-UHFFFAOYSA-N 1 0 370.432 2.216 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3sc(OC)nc3C)cc2C1 ZINC000299791118 528488833 /nfs/dbraw/zinc/48/88/33/528488833.db2.gz CNPMROKQHOLXIR-UHFFFAOYSA-N 1 0 363.487 2.202 50 0 FEAARO CCCCc1ccc(NC(=O)CC[N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)cc1 ZINC000299794497 529024558 /nfs/dbraw/zinc/02/45/58/529024558.db2.gz KLGVDFLCSAPODI-KJWXAFIESA-N 1 0 360.498 2.421 50 0 FEAARO CC[NH+]1CCN(c2cc(CNC(=O)c3cc(C)ccc3O)ccn2)CC1 ZINC000064418354 535743554 /nfs/dbraw/zinc/74/35/54/535743554.db2.gz LOROOOVCFYVYNG-UHFFFAOYSA-N 1 0 354.454 2.168 50 0 FEAARO CCc1cnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1 ZINC000071776439 536057264 /nfs/dbraw/zinc/05/72/64/536057264.db2.gz UGNJBMMYYRFTGI-GOSISDBHSA-N 1 0 371.529 2.342 50 0 FEAARO C[NH+]1CCC(N2CCN(c3ncccc3C(F)(F)F)C[C@H]2CCO)CC1 ZINC000107006149 536339655 /nfs/dbraw/zinc/33/96/55/536339655.db2.gz GIBCYFWFVPMNGA-OAHLLOKOSA-N 1 0 372.435 2.068 50 0 FEAARO CC[NH+]1CCN(Cc2ccc(CN3C(=O)[C@@H]4CCCCN4C3=O)cc2)CC1 ZINC000170592471 546161978 /nfs/dbraw/zinc/16/19/78/546161978.db2.gz XVSPJHCQFOJBFK-IBGZPJMESA-N 1 0 370.497 2.141 50 0 FEAARO CN(C(=O)c1ncoc1-c1ccc2c(c1)OCCO2)[C@H]1CCC[N@H+](C)C1 ZINC000173914485 546288468 /nfs/dbraw/zinc/28/84/68/546288468.db2.gz IYWLLHGSGSGQIH-AWEZNQCLSA-N 1 0 357.410 2.279 50 0 FEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1ccc(-n2cnnc2)cc1 ZINC000215671863 548673665 /nfs/dbraw/zinc/67/36/65/548673665.db2.gz ACVGROLGWIAYQD-UHFFFAOYSA-N 1 0 371.510 2.357 50 0 FEAARO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccccc1OCCc1ccccc1 ZINC000221265154 548703965 /nfs/dbraw/zinc/70/39/65/548703965.db2.gz QGCAZXRXADGTQY-LJQANCHMSA-N 1 0 367.493 2.284 50 0 FEAARO Cn1ccnc1[C@@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000221367909 548705535 /nfs/dbraw/zinc/70/55/35/548705535.db2.gz QNMNHMYZANFBRN-IBGZPJMESA-N 1 0 351.454 2.147 50 0 FEAARO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236640188 548770151 /nfs/dbraw/zinc/77/01/51/548770151.db2.gz VSTIIEODRVXQOY-KGLIPLIRSA-N 1 0 354.882 2.153 50 0 FEAARO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237001865 548793653 /nfs/dbraw/zinc/79/36/53/548793653.db2.gz VAJDQRCSUKZWNR-MAUKXSAKSA-N 1 0 356.470 2.488 50 0 FEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000237911509 548864197 /nfs/dbraw/zinc/86/41/97/548864197.db2.gz NFNGSXBYVSJVAS-NWANDNLSSA-N 1 0 353.260 2.476 50 0 FEAARO CN1CCCN(C(=O)c2ccccc2OC(F)F)CC12CC[NH2+]CC2 ZINC000244626502 548891751 /nfs/dbraw/zinc/89/17/51/548891751.db2.gz FMYCYIWLXKTJQH-UHFFFAOYSA-N 1 0 353.413 2.188 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000244816744 548896040 /nfs/dbraw/zinc/89/60/40/548896040.db2.gz SNRVYDGZZBKHGI-MRXNPFEDSA-N 1 0 361.511 2.332 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000246189412 549073179 /nfs/dbraw/zinc/07/31/79/549073179.db2.gz CZRRUKIPWDACKR-SGMGOOAPSA-N 1 0 360.376 2.031 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)[C@@H]1c1ccccc1 ZINC000247974262 549396708 /nfs/dbraw/zinc/39/67/08/549396708.db2.gz GBXJTYPIMXXRRX-AJNGGQMLSA-N 1 0 369.387 2.005 50 0 FEAARO O=C(N1CCN(Cc2ccc(F)cc2)C(=O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000252486369 549667589 /nfs/dbraw/zinc/66/75/89/549667589.db2.gz HKUVPGUGQINNJI-UHFFFAOYSA-N 1 0 373.472 2.405 50 0 FEAARO CCC(CC)NC(=O)[C@@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257182892 549712243 /nfs/dbraw/zinc/71/22/43/549712243.db2.gz QKXMQIPOKXAVKR-GOSISDBHSA-N 1 0 374.529 2.495 50 0 FEAARO CC[NH+]1CCC2(C[C@H](c3nnc(C)o3)N(C(=O)c3cccnc3)C2)CC1 ZINC000257194520 549716895 /nfs/dbraw/zinc/71/68/95/549716895.db2.gz UFNWCBWGEUUTCO-MRXNPFEDSA-N 1 0 355.442 2.462 50 0 FEAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N2CCCO2)CC1 ZINC000291246656 552605842 /nfs/dbraw/zinc/60/58/42/552605842.db2.gz LOVMLHKAXSCDFJ-CQSZACIVSA-N 1 0 350.438 2.376 50 0 FEAARO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCC1(F)F ZINC000332868649 554533774 /nfs/dbraw/zinc/53/37/74/554533774.db2.gz VEQLFQGHVPBDAH-KBMXLJTQSA-N 1 0 359.461 2.441 50 0 FEAARO CCn1cncc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000333409530 554610386 /nfs/dbraw/zinc/61/03/86/554610386.db2.gz GSOHYFHBYIESAY-INIZCTEOSA-N 1 0 354.520 2.226 50 0 FEAARO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)CCc1nccs1 ZINC000333458124 554615079 /nfs/dbraw/zinc/61/50/79/554615079.db2.gz OYYNSKWJESKNQW-KBXCAEBGSA-N 1 0 361.515 2.351 50 0 FEAARO CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000333902322 554654079 /nfs/dbraw/zinc/65/40/79/554654079.db2.gz ZMFSGTFCOXEQDD-GJZGRUSLSA-N 1 0 351.516 2.480 50 0 FEAARO Cc1n[nH]c(C)c1CCCNC(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426487905 559735589 /nfs/dbraw/zinc/73/55/89/559735589.db2.gz HDDPRPXWVRPLAC-UHFFFAOYSA-N 1 0 350.850 2.380 50 0 FEAARO COc1ccc2cc([C@@H](C)NC(=O)N(CCO)CC[NH+](C)C)ccc2c1 ZINC000426544601 559737492 /nfs/dbraw/zinc/73/74/92/559737492.db2.gz AAHYORFVFPUVMS-OAHLLOKOSA-N 1 0 359.470 2.475 50 0 FEAARO CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000426552362 559737781 /nfs/dbraw/zinc/73/77/81/559737781.db2.gz QVYNFPOFCGWYTG-NRFANRHFSA-N 1 0 357.498 2.371 50 0 FEAARO Cc1ccc(-c2nnn(C)n2)cc1NC(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000426634137 559739297 /nfs/dbraw/zinc/73/92/97/559739297.db2.gz ZITNSSBFNCXRPD-CQSZACIVSA-N 1 0 369.473 2.276 50 0 FEAARO Cn1nnc2cc(NC(=O)NC[C@H]3Cc4ccccc4C[N@@H+]3C)ccc21 ZINC000426667592 559739932 /nfs/dbraw/zinc/73/99/32/559739932.db2.gz NZIXZCOAOLQDAO-MRXNPFEDSA-N 1 0 350.426 2.147 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccccn3)[C@H]1C[C@H](NC(=O)C1CCOCC1)CC2 ZINC000534575287 562537084 /nfs/dbraw/zinc/53/70/84/562537084.db2.gz FNHPOAOHFIBBHB-SLYNCCJLSA-N 1 0 373.497 2.136 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cncs3)[C@H]1C[C@H](NC(=O)c1cccnc1)CC2 ZINC000534581249 562537329 /nfs/dbraw/zinc/53/73/29/562537329.db2.gz WBKHFNZJHJTMIF-HHXXYDBFSA-N 1 0 372.494 2.480 50 0 FEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1COc2ccccc2O1 ZINC000083851057 571053212 /nfs/dbraw/zinc/05/32/12/571053212.db2.gz AOFBKWHFZLVZQX-LJQANCHMSA-N 1 0 356.422 2.122 50 0 FEAARO CN1C(=O)N=NC1C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000685940542 571100260 /nfs/dbraw/zinc/10/02/60/571100260.db2.gz CSTAWDDHXGQXNH-UKRRQHHQSA-N 1 0 358.442 2.183 50 0 FEAARO COc1cccc2c1CCN(C(=O)c1cn[nH]c1[C@@H]1CCCC[NH2+]1)CC2 ZINC000685941541 571101448 /nfs/dbraw/zinc/10/14/48/571101448.db2.gz CWUDKCRLQIHREP-KRWDZBQOSA-N 1 0 354.454 2.474 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)c[nH]2)CC1 ZINC000685941771 571102097 /nfs/dbraw/zinc/10/20/97/571102097.db2.gz IHMPDYXXZQEAEQ-IRXDYDNUSA-N 1 0 358.486 2.393 50 0 FEAARO CC[NH+](CC)[C@H]1CCN(Cc2cccc(C(=O)Nc3nccn3C)c2)C1 ZINC000067655020 571131565 /nfs/dbraw/zinc/13/15/65/571131565.db2.gz CYYQQICBRJYURT-SFHVURJKSA-N 1 0 355.486 2.589 50 0 FEAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc3c(c2)nnn3C)CC1 ZINC000183631112 571170938 /nfs/dbraw/zinc/17/09/38/571170938.db2.gz DHLCWBZSJYINTH-CQSZACIVSA-N 1 0 364.453 2.319 50 0 FEAARO Cn1ccnc1-c1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000426361415 571215547 /nfs/dbraw/zinc/21/55/47/571215547.db2.gz UXRRNYSUSAFMJL-GOSISDBHSA-N 1 0 356.470 2.270 50 0 FEAARO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000170089168 571262078 /nfs/dbraw/zinc/26/20/78/571262078.db2.gz OOYIYPOAXMTFMB-CVEARBPZSA-N 1 0 356.532 2.113 50 0 FEAARO CC1(C)CCC[C@H]1[NH2+]CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000170089171 571262110 /nfs/dbraw/zinc/26/21/10/571262110.db2.gz OOYIYPOAXMTFMB-HZPDHXFCSA-N 1 0 356.532 2.113 50 0 FEAARO C[C@@H](CNC(=O)N(C)Cc1cccc2cnccc21)N1CC[NH+](C)CC1 ZINC000584891036 571314508 /nfs/dbraw/zinc/31/45/08/571314508.db2.gz FUFCPCLHCPBSDY-INIZCTEOSA-N 1 0 355.486 2.012 50 0 FEAARO Cc1noc(C)c1CN(C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000584890709 571314551 /nfs/dbraw/zinc/31/45/51/571314551.db2.gz AVRJWSDVPJBJDH-MRXNPFEDSA-N 1 0 350.463 2.076 50 0 FEAARO CC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000011753494 669999394 /nfs/dbraw/zinc/99/93/94/669999394.db2.gz VHYYTLWQSVUBOW-SFHVURJKSA-N 1 0 363.889 2.084 50 0 FEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(OC)cc3F)C2)C1=O ZINC000012049118 670000257 /nfs/dbraw/zinc/00/02/57/670000257.db2.gz LFJXOGUUFPIIKI-IBGZPJMESA-N 1 0 350.434 2.295 50 0 FEAARO CCCS(=O)(=O)N1CCC(n2cc(C[N@@H+]3CCCC3(C)C)nn2)CC1 ZINC000063868222 670412037 /nfs/dbraw/zinc/41/20/37/670412037.db2.gz FJUOIBSUBBTUOX-UHFFFAOYSA-N 1 0 369.535 2.029 50 0 FEAARO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000169751618 672321534 /nfs/dbraw/zinc/32/15/34/672321534.db2.gz QEZHMMSUEMWJOZ-UHFFFAOYSA-N 1 0 350.825 2.229 50 0 FEAARO Cn1cnnc1SCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000952983588 681795125 /nfs/dbraw/zinc/79/51/25/681795125.db2.gz HNYNGNQVCSEBKU-UHFFFAOYSA-N 1 0 361.471 2.019 50 0 FEAARO Cc1nc(SCC[NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)n[nH]1 ZINC000952991104 681796008 /nfs/dbraw/zinc/79/60/08/681796008.db2.gz OYSGINYSDXRIGQ-INIZCTEOSA-N 1 0 359.499 2.376 50 0 FEAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1CN1CCOCC1 ZINC000299781789 529808080 /nfs/dbraw/zinc/80/80/80/529808080.db2.gz LTOITDAXTABWKY-MSOLQXFVSA-N 1 0 358.486 2.219 50 0 FEAARO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000002633043 539350040 /nfs/dbraw/zinc/35/00/40/539350040.db2.gz RVVFEISEXJUCPQ-KDOFPFPSSA-N 1 0 365.433 2.090 50 0 FEAARO Cc1c(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000003277474 539361986 /nfs/dbraw/zinc/36/19/86/539361986.db2.gz UFETUQMWVOQZLU-HUUCEWRRSA-N 1 0 356.470 2.401 50 0 FEAARO O[C@@H](Cn1ccc2ccccc21)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000004299559 539381862 /nfs/dbraw/zinc/38/18/62/539381862.db2.gz YIKVGKGVFYPZHE-SJBKTWHCSA-N 1 0 371.525 2.360 50 0 FEAARO C[C@@H](CC(=O)NCC[NH+](C)C)CC(=O)Nc1cccc(Br)c1 ZINC000004691045 539390078 /nfs/dbraw/zinc/39/00/78/539390078.db2.gz JEEXGNCMWUUIBC-LBPRGKRZSA-N 1 0 370.291 2.482 50 0 FEAARO C[NH+](C)CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000005207905 539405379 /nfs/dbraw/zinc/40/53/79/539405379.db2.gz GANJEJGHTFICKD-UHFFFAOYSA-N 1 0 368.264 2.495 50 0 FEAARO C[NH+]1CCC(CNC(=O)COC[C@@H]2CCCCO2)(c2ccccc2)CC1 ZINC000299779659 530049291 /nfs/dbraw/zinc/04/92/91/530049291.db2.gz AKJABOATLHPPLU-IBGZPJMESA-N 1 0 360.498 2.352 50 0 FEAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCSc3nnnn3C)o2)cc1 ZINC000007541003 539460011 /nfs/dbraw/zinc/46/00/11/539460011.db2.gz LKOOUOPFVQXGNT-LBPRGKRZSA-N 1 0 359.455 2.405 50 0 FEAARO COc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)c2ccccc12 ZINC000011843658 539537557 /nfs/dbraw/zinc/53/75/57/539537557.db2.gz VTVAEXRPNGFTEQ-NHCUHLMSSA-N 1 0 370.493 2.240 50 0 FEAARO O=C(Nc1cccc(N2CCC([NH2+]CCn3ccnc3)CC2)c1)C1CC1 ZINC000012241852 539551456 /nfs/dbraw/zinc/55/14/56/539551456.db2.gz UUWKSWGTDKUPQT-UHFFFAOYSA-N 1 0 353.470 2.490 50 0 FEAARO CN1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000012302585 539553258 /nfs/dbraw/zinc/55/32/58/539553258.db2.gz FNCIXTZKVIRVHK-OAHLLOKOSA-N 1 0 355.404 2.490 50 0 FEAARO Cc1cc(C[N@@H+](C)C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)on1 ZINC000012386711 539557336 /nfs/dbraw/zinc/55/73/36/539557336.db2.gz UAKCFGFJBGXYTF-LJQANCHMSA-N 1 0 361.417 2.108 50 0 FEAARO CC(C)[NH+]1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 ZINC000012441411 539559918 /nfs/dbraw/zinc/55/99/18/539559918.db2.gz LEUXQJMRWPTRNF-UHFFFAOYSA-N 1 0 351.878 2.193 50 0 FEAARO Cc1c(C(=O)NCc2ccco2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000014994733 539609383 /nfs/dbraw/zinc/60/93/83/539609383.db2.gz ZJNNXASOCKFGPV-UHFFFAOYSA-N 1 0 371.466 2.275 50 0 FEAARO COC1CCN(c2ccc(C(=O)NCC[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000015073202 539611998 /nfs/dbraw/zinc/61/19/98/539611998.db2.gz IXFIWMOMZIEDPS-QGZVFWFLSA-N 1 0 360.502 2.301 50 0 FEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3cc(C)ccc3OC)c(C)n2)CC1 ZINC000015778156 539623461 /nfs/dbraw/zinc/62/34/61/539623461.db2.gz SFKTYFVKRORNET-UHFFFAOYSA-N 1 0 369.469 2.496 50 0 FEAARO CCC[NH+]1CCN(CCNC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000023114592 539706602 /nfs/dbraw/zinc/70/66/02/539706602.db2.gz DQYXONNBYUEMPG-UHFFFAOYSA-N 1 0 354.882 2.498 50 0 FEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)CC1 ZINC000023359318 539712280 /nfs/dbraw/zinc/71/22/80/539712280.db2.gz XDJJNRZKZAMOID-LJQANCHMSA-N 1 0 357.498 2.392 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(C)C ZINC000024991178 539745872 /nfs/dbraw/zinc/74/58/72/539745872.db2.gz QSTWVOGCHUHWMT-OAHLLOKOSA-N 1 0 370.519 2.212 50 0 FEAARO COc1ccc(C)cc1C[N@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025231483 539751645 /nfs/dbraw/zinc/75/16/45/539751645.db2.gz CETPYVIIBOMENH-MRXNPFEDSA-N 1 0 368.433 2.093 50 0 FEAARO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507760 539761262 /nfs/dbraw/zinc/76/12/62/539761262.db2.gz GJLULJIQVCYPGX-VQIMIIECSA-N 1 0 357.498 2.054 50 0 FEAARO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(C(=O)OC)cc1 ZINC000000781072 219320291 /nfs/dbraw/zinc/32/02/91/219320291.db2.gz IXQLSRYMEQZFRL-INIZCTEOSA-N 1 0 369.441 2.255 50 0 FEAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000030656457 539888471 /nfs/dbraw/zinc/88/84/71/539888471.db2.gz TVPRFQJIFCAZHT-UHFFFAOYSA-N 1 0 365.268 2.102 50 0 FEAARO Cc1ccccc1N1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000032863555 539955954 /nfs/dbraw/zinc/95/59/54/539955954.db2.gz RRCSOQNAOPONHD-IBGZPJMESA-N 1 0 374.529 2.183 50 0 FEAARO CCCn1nc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)ccc1=O ZINC000032914584 539959473 /nfs/dbraw/zinc/95/94/73/539959473.db2.gz MKSAFIKTQLOVKG-UHFFFAOYSA-N 1 0 368.481 2.310 50 0 FEAARO O=C(Cc1ccccc1)NCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032928008 539960302 /nfs/dbraw/zinc/96/03/02/539960302.db2.gz MLHOYFOUUIWLIO-UHFFFAOYSA-N 1 0 371.525 2.460 50 0 FEAARO C[C@H](CCNC(=O)CSc1nc2ccccc2n(C)c1=O)[NH+]1CCCC1 ZINC000033006702 539963023 /nfs/dbraw/zinc/96/30/23/539963023.db2.gz LYIBSPJDHDLSGV-CQSZACIVSA-N 1 0 374.510 2.016 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000033071008 539966233 /nfs/dbraw/zinc/96/62/33/539966233.db2.gz ACFBEXSGNYMHBU-UHFFFAOYSA-N 1 0 355.486 2.381 50 0 FEAARO Cc1ccc(C(C)(C)CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000035421793 539982033 /nfs/dbraw/zinc/98/20/33/539982033.db2.gz WXJPKAJJWPTRCX-UHFFFAOYSA-N 1 0 371.525 2.429 50 0 FEAARO COc1ccc(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096055 539987194 /nfs/dbraw/zinc/98/71/94/539987194.db2.gz SNPSRDWCJOSWNY-MSOLQXFVSA-N 1 0 367.486 2.471 50 0 FEAARO O[C@H](COc1ccccc1)C[N@H+](CCN1CCOCC1)Cc1ccccc1 ZINC000036030980 539985940 /nfs/dbraw/zinc/98/59/40/539985940.db2.gz AZYIUKKGPLVRFK-NRFANRHFSA-N 1 0 370.493 2.261 50 0 FEAARO C[NH+](C)CCn1ccc2nc3ncnn3c(-c3ccc(Cl)cc3)c2c1=O ZINC000038828835 540000750 /nfs/dbraw/zinc/00/07/50/540000750.db2.gz JMJDPDKFDZSPEL-UHFFFAOYSA-N 1 0 368.828 2.321 50 0 FEAARO CCNc1cc(NCCNC(=O)Cc2noc3ccccc23)nc(C)[nH+]1 ZINC000038670693 539999774 /nfs/dbraw/zinc/99/97/74/539999774.db2.gz CGIVRUXCBSEDMT-UHFFFAOYSA-N 1 0 354.414 2.129 50 0 FEAARO Cc1ccc(NC(=O)COc2ccccc2CNCCC[NH2+]CCO)cc1 ZINC000040720748 540011108 /nfs/dbraw/zinc/01/11/08/540011108.db2.gz UFSSFKPIJRGNLY-UHFFFAOYSA-N 1 0 371.481 2.074 50 0 FEAARO C[NH+](C)CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000005207893 219660628 /nfs/dbraw/zinc/66/06/28/219660628.db2.gz VBFGCQZXKJTJJO-UHFFFAOYSA-N 1 0 368.264 2.495 50 0 FEAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000052489217 540468120 /nfs/dbraw/zinc/46/81/20/540468120.db2.gz KZXRZHHXWFPTFL-IBGZPJMESA-N 1 0 358.482 2.495 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000008262811 219855729 /nfs/dbraw/zinc/85/57/29/219855729.db2.gz MCFOZHIHXGKUOO-OAHLLOKOSA-N 1 0 367.515 2.304 50 0 FEAARO Cc1nc2ccccn2c1CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000299758305 223083244 /nfs/dbraw/zinc/08/32/44/223083244.db2.gz LISDSESLFWVEIM-GOSISDBHSA-N 1 0 370.497 2.289 50 0 FEAARO O=C(NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccn2cnnc12 ZINC000299775072 223090444 /nfs/dbraw/zinc/09/04/44/223090444.db2.gz KWNMCQUOSHJQLR-GOSISDBHSA-N 1 0 363.465 2.414 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[N@@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)cc2c1 ZINC000299790468 223099792 /nfs/dbraw/zinc/09/97/92/223099792.db2.gz BBIIVDGVNWWHOI-ZAAXVRCTSA-N 1 0 358.438 2.453 50 0 FEAARO O=C(NCCc1noc(C(F)(F)F)n1)C1CC[NH+](C2CCCC2)CC1 ZINC000299793077 223100202 /nfs/dbraw/zinc/10/02/02/223100202.db2.gz JLFIDAOLTJBENX-UHFFFAOYSA-N 1 0 360.380 2.402 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Nc2cccc3n[nH]nc32)CC1 ZINC000299798595 223103002 /nfs/dbraw/zinc/10/30/02/223103002.db2.gz RFZOCRYGASHDGA-UHFFFAOYSA-N 1 0 351.414 2.406 50 0 FEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)cc(Br)c1 ZINC000061649316 541136995 /nfs/dbraw/zinc/13/69/95/541136995.db2.gz FBMPDFSKWVUAEU-UONOGXRCSA-N 1 0 357.223 2.181 50 0 FEAARO CC[NH+]1CCN(CCNC(=O)c2cc(-c3ccc(C)cc3)cn2C)CC1 ZINC000065170674 541228460 /nfs/dbraw/zinc/22/84/60/541228460.db2.gz ZYFJWKXOJVFLBE-UHFFFAOYSA-N 1 0 354.498 2.368 50 0 FEAARO CCS(=O)(=O)Nc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000012526193 220002847 /nfs/dbraw/zinc/00/28/47/220002847.db2.gz JRZGVIWWSNESAT-UHFFFAOYSA-N 1 0 355.504 2.297 50 0 FEAARO OC1CC[NH+]([C@@H]2CCN(Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000012579505 220008991 /nfs/dbraw/zinc/00/89/91/220008991.db2.gz WHQXCWIQZHJQKT-WOJBJXKFSA-N 1 0 356.466 2.339 50 0 FEAARO COc1cccc(CC(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1 ZINC000072125339 541784529 /nfs/dbraw/zinc/78/45/29/541784529.db2.gz WVMMZNFBXFEEEB-RTWAWAEBSA-N 1 0 366.461 2.091 50 0 FEAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)nc3)C2)n1 ZINC000072131938 541785053 /nfs/dbraw/zinc/78/50/53/541785053.db2.gz GVJZEKCPMLAJGY-MRXNPFEDSA-N 1 0 372.473 2.028 50 0 FEAARO Nc1cc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072135344 541786099 /nfs/dbraw/zinc/78/60/99/541786099.db2.gz RAEDGQHOSFRSII-KFKAGJAMSA-N 1 0 357.408 2.404 50 0 FEAARO O=C(CCN1CCCO1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072146414 541788447 /nfs/dbraw/zinc/78/84/47/541788447.db2.gz MLZAAPHNBXZVLB-HXUWFJFHSA-N 1 0 372.513 2.170 50 0 FEAARO Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000072158178 541791695 /nfs/dbraw/zinc/79/16/95/541791695.db2.gz DMQMQFHZDVPTSD-OAHLLOKOSA-N 1 0 354.520 2.194 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072162565 541792250 /nfs/dbraw/zinc/79/22/50/541792250.db2.gz LANFSIINFVPFQV-ZDUSSCGKSA-N 1 0 363.408 2.495 50 0 FEAARO O=C(c1ccc2c(c1)CC[NH2+]C2)N1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072167803 541794778 /nfs/dbraw/zinc/79/47/78/541794778.db2.gz WGKXONFTZJOWCU-NRFANRHFSA-N 1 0 362.473 2.423 50 0 FEAARO O=S(=O)(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC000072173828 541795753 /nfs/dbraw/zinc/79/57/53/541795753.db2.gz HTCNWBFJMYWWED-SFHVURJKSA-N 1 0 351.516 2.014 50 0 FEAARO CCn1ccc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1=O ZINC000072171332 541796027 /nfs/dbraw/zinc/79/60/27/541796027.db2.gz LBSLHPRSTYZGNW-HXUWFJFHSA-N 1 0 365.477 2.184 50 0 FEAARO C[NH+](C)CCn1cc(NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1 ZINC000072309719 541799034 /nfs/dbraw/zinc/79/90/34/541799034.db2.gz OSYOZQKLLCGNCT-IBGZPJMESA-N 1 0 371.485 2.422 50 0 FEAARO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3ccc4nonc4c3)CC[C@H]21 ZINC000072407779 541805649 /nfs/dbraw/zinc/80/56/49/541805649.db2.gz QAZNRVJTJKBETN-MAUKXSAKSA-N 1 0 358.442 2.072 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000072409963 541806585 /nfs/dbraw/zinc/80/65/85/541806585.db2.gz ZVOUBDYQHNXYFD-LJQANCHMSA-N 1 0 372.444 2.048 50 0 FEAARO COCCN(C)CC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072421866 541808747 /nfs/dbraw/zinc/80/87/47/541808747.db2.gz KVNUCKSXVRTKQH-JOCHJYFZSA-N 1 0 373.541 2.469 50 0 FEAARO Cc1cc(C)n(CCCN(C)c2nc(C3CC3)nc3c2CC[NH2+]CC3)n1 ZINC000072420145 541808796 /nfs/dbraw/zinc/80/87/96/541808796.db2.gz LHXXHIAZNBMGNP-UHFFFAOYSA-N 1 0 354.502 2.382 50 0 FEAARO CCN1CC2(CC1=O)CC[NH+](Cc1cc(C(=O)OC)ccc1OC)CC2 ZINC000072421417 541808986 /nfs/dbraw/zinc/80/89/86/541808986.db2.gz IEGJMCCSQQHSKL-UHFFFAOYSA-N 1 0 360.454 2.316 50 0 FEAARO CSCC[C@@H](CO)Nc1nc(C2CCCC2)nc2c1CC[NH2+]CC2 ZINC000072427374 541811272 /nfs/dbraw/zinc/81/12/72/541811272.db2.gz BICAJLKVQUTDQL-AWEZNQCLSA-N 1 0 350.532 2.348 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N(C)[C@@H]3CC[N@H+](C)C3)nc2)on1 ZINC000012707073 220019574 /nfs/dbraw/zinc/01/95/74/220019574.db2.gz ZWEHHNVDKLJAOT-MRXNPFEDSA-N 1 0 357.458 2.092 50 0 FEAARO O=C(CCCN1CCCC1=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012748093 220023679 /nfs/dbraw/zinc/02/36/79/220023679.db2.gz WBDKMEORFGWIEG-IBGZPJMESA-N 1 0 357.498 2.212 50 0 FEAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1)NCc1ccc(F)cc1 ZINC000012755015 220025126 /nfs/dbraw/zinc/02/51/26/220025126.db2.gz LOIWYJLTOHATQV-GOSISDBHSA-N 1 0 361.461 2.213 50 0 FEAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014742224 220130755 /nfs/dbraw/zinc/13/07/55/220130755.db2.gz FQLHITZFBRJENF-UHFFFAOYSA-N 1 0 370.453 2.043 50 0 FEAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014742558 220130841 /nfs/dbraw/zinc/13/08/41/220130841.db2.gz HHTJKFIMYRGXKZ-MRXNPFEDSA-N 1 0 355.486 2.334 50 0 FEAARO Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014746616 220132003 /nfs/dbraw/zinc/13/20/03/220132003.db2.gz PWGHOFWUWHORKN-INIZCTEOSA-N 1 0 370.522 2.256 50 0 FEAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@@H]([N@H+](C)CCOC)C2 ZINC000014744422 220132019 /nfs/dbraw/zinc/13/20/19/220132019.db2.gz PCMZQUYSKCQCEJ-OAHLLOKOSA-N 1 0 374.485 2.204 50 0 FEAARO COc1ccccc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)C(C)C)n2CC1 ZINC000014993019 220140752 /nfs/dbraw/zinc/14/07/52/220140752.db2.gz DJBUHGVQRHANTQ-HNNXBMFYSA-N 1 0 371.485 2.178 50 0 FEAARO COCCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000015105697 220148686 /nfs/dbraw/zinc/14/86/86/220148686.db2.gz ZHHUTJYIAATGGJ-KRWDZBQOSA-N 1 0 363.458 2.085 50 0 FEAARO COCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000015067202 220144456 /nfs/dbraw/zinc/14/44/56/220144456.db2.gz VLTOTQFRISVEIL-FQEVSTJZSA-N 1 0 362.470 2.165 50 0 FEAARO COCc1ccc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)s1 ZINC000015067901 220144784 /nfs/dbraw/zinc/14/47/84/220144784.db2.gz WHTMDGLJYFGJBG-AWEZNQCLSA-N 1 0 351.516 2.183 50 0 FEAARO COc1ccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)cc1Br ZINC000016226542 220180782 /nfs/dbraw/zinc/18/07/82/220180782.db2.gz GQDBVKHRPXFPFP-XFFZJAGNSA-N 1 0 357.229 2.453 50 0 FEAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cnc2sccn2c1=O ZINC000016102238 220178236 /nfs/dbraw/zinc/17/82/36/220178236.db2.gz BUJKHMUTRVPVKB-UHFFFAOYSA-N 1 0 368.462 2.282 50 0 FEAARO Cn1cnnc1SCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000019144215 220238263 /nfs/dbraw/zinc/23/82/63/220238263.db2.gz ZAXGECNCLGVHTD-UHFFFAOYSA-N 1 0 350.398 2.365 50 0 FEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1)NCCc1ccccc1 ZINC000077298768 542363462 /nfs/dbraw/zinc/36/34/62/542363462.db2.gz NLENAXDKIPPPHK-QFIPXVFZSA-N 1 0 369.509 2.212 50 0 FEAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077299548 542363603 /nfs/dbraw/zinc/36/36/03/542363603.db2.gz MVNDYGCJPBMMRF-SFHVURJKSA-N 1 0 352.862 2.412 50 0 FEAARO COc1ccc(CN2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2=O)cc1 ZINC000077321679 542366987 /nfs/dbraw/zinc/36/69/87/542366987.db2.gz ZLWVXVQOAHDGKL-KRWDZBQOSA-N 1 0 373.497 2.131 50 0 FEAARO CC(C)CCN1CC2(CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)OC1=O ZINC000077342655 542369440 /nfs/dbraw/zinc/36/94/40/542369440.db2.gz VOVOGJHCOVNCDA-INIZCTEOSA-N 1 0 351.491 2.188 50 0 FEAARO COc1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc2c1OCO2 ZINC000019791507 220297035 /nfs/dbraw/zinc/29/70/35/220297035.db2.gz GEZMAXCROQUKOB-INIZCTEOSA-N 1 0 364.486 2.339 50 0 FEAARO O=C(c1ccccc1N1CCCC1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077343292 542370421 /nfs/dbraw/zinc/37/04/21/542370421.db2.gz FEJSUVTWNVVMGG-NRFANRHFSA-N 1 0 357.498 2.350 50 0 FEAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000020387133 220325768 /nfs/dbraw/zinc/32/57/68/220325768.db2.gz XPVXCJFRLBUGTH-MRXNPFEDSA-N 1 0 374.529 2.281 50 0 FEAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000020387126 220325810 /nfs/dbraw/zinc/32/58/10/220325810.db2.gz XPVXCJFRLBUGTH-INIZCTEOSA-N 1 0 374.529 2.281 50 0 FEAARO CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000020475173 220327237 /nfs/dbraw/zinc/32/72/37/220327237.db2.gz RUHZSUAWOAJIHV-UHFFFAOYSA-N 1 0 367.334 2.414 50 0 FEAARO C[C@H](C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1=O ZINC000077358571 542372614 /nfs/dbraw/zinc/37/26/14/542372614.db2.gz YRCZSEIKOBTFFS-QGZVFWFLSA-N 1 0 357.498 2.368 50 0 FEAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)[C@H](O)C1 ZINC000077471282 542385650 /nfs/dbraw/zinc/38/56/50/542385650.db2.gz QDQHCBIXKGHEQP-VHWOIRFASA-N 1 0 358.486 2.334 50 0 FEAARO O=C(N[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C[C@H]1O)c1ccccn1 ZINC000077470639 542385748 /nfs/dbraw/zinc/38/57/48/542385748.db2.gz BZJGARHKMXHFPF-SJLPKXTDSA-N 1 0 351.406 2.193 50 0 FEAARO COc1ccccc1OC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000077503603 542390102 /nfs/dbraw/zinc/39/01/02/542390102.db2.gz LHSXZUCRKXJHJR-INIZCTEOSA-N 1 0 362.470 2.033 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CCO)CC1 ZINC000020996397 220347957 /nfs/dbraw/zinc/34/79/57/220347957.db2.gz WZZUYULGOGSGTR-SFHVURJKSA-N 1 0 369.912 2.442 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cnc3onc(C(C)C)c3c2)C1 ZINC000022693881 220396043 /nfs/dbraw/zinc/39/60/43/220396043.db2.gz XMFLYOZNHOHIFA-OAHLLOKOSA-N 1 0 360.458 2.433 50 0 FEAARO CN(C)C(=O)CN1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000048819990 221014363 /nfs/dbraw/zinc/01/43/63/221014363.db2.gz RNONVTSTMKDIJC-UHFFFAOYSA-N 1 0 354.292 2.091 50 0 FEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cnc2ccccn2c1=O ZINC000048272345 221004375 /nfs/dbraw/zinc/00/43/75/221004375.db2.gz QHGWSWZEALWIKK-MRXNPFEDSA-N 1 0 366.421 2.245 50 0 FEAARO CCc1nccn1CCC[NH2+]Cc1c(C)n(CC(N)=O)c2ccccc21 ZINC000055154317 221060376 /nfs/dbraw/zinc/06/03/76/221060376.db2.gz KGXIKFMWBGHIOG-UHFFFAOYSA-N 1 0 353.470 2.374 50 0 FEAARO Cc1c(C[NH2+]C[C@H](C)Oc2cccnc2)c2ccccc2n1CC(N)=O ZINC000055182976 221061499 /nfs/dbraw/zinc/06/14/99/221061499.db2.gz QGVRYPJBPTUQKH-AWEZNQCLSA-N 1 0 352.438 2.387 50 0 FEAARO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000056201280 221079342 /nfs/dbraw/zinc/07/93/42/221079342.db2.gz ZQYFGDXKQPPWDI-KGLIPLIRSA-N 1 0 356.426 2.155 50 0 FEAARO O=C(CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000057171030 221084807 /nfs/dbraw/zinc/08/48/07/221084807.db2.gz BIVQKCKVEWQJQW-SFHVURJKSA-N 1 0 366.465 2.439 50 0 FEAARO Cc1ccc(NC(=O)C[NH2+]CCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000058167681 221101676 /nfs/dbraw/zinc/10/16/76/221101676.db2.gz FBSSDYUTGRNPON-UHFFFAOYSA-N 1 0 366.509 2.341 50 0 FEAARO CCn1cnnc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058210432 221107158 /nfs/dbraw/zinc/10/71/58/221107158.db2.gz ZJRKGSSZPGZBSN-KRWDZBQOSA-N 1 0 356.474 2.152 50 0 FEAARO CCS(=O)(=O)c1ccccc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000059924016 221127253 /nfs/dbraw/zinc/12/72/53/221127253.db2.gz LTSXETRRQUFSBT-HNNXBMFYSA-N 1 0 352.500 2.332 50 0 FEAARO COCCCNC(=O)[C@@H]1C[C@H](CC(C)C)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000062001357 221137700 /nfs/dbraw/zinc/13/77/00/221137700.db2.gz LAQXSJNVAXNWNT-UVFQYZLESA-N 1 0 359.470 2.011 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)C2CC2)CC1 ZINC000065230943 221182552 /nfs/dbraw/zinc/18/25/52/221182552.db2.gz NAGMGJYSWXPDGF-HXUWFJFHSA-N 1 0 369.509 2.467 50 0 FEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCCC[NH+]1CCCCC1)nc2N(C)C ZINC000065231978 221183903 /nfs/dbraw/zinc/18/39/03/221183903.db2.gz HTHSNFHEUFMTDK-UHFFFAOYSA-N 1 0 370.501 2.313 50 0 FEAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C1CCN(c2cc(C)cc(C)c2)CC1 ZINC000065384887 221208889 /nfs/dbraw/zinc/20/88/89/221208889.db2.gz DQAFIYJHJBZUGR-UXHICEINSA-N 1 0 359.514 2.450 50 0 FEAARO O[C@H](CNc1ncnc2sc3c(c21)CC[NH2+]C3)COC1CCCCC1 ZINC000065405835 221213879 /nfs/dbraw/zinc/21/38/79/221213879.db2.gz FNJHOXPFEYEQMH-GFCCVEGCSA-N 1 0 362.499 2.459 50 0 FEAARO O=C(C[NH+]1CCCCCC1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1 ZINC000065434451 221218969 /nfs/dbraw/zinc/21/89/69/221218969.db2.gz AOSGUOUPQWSOSV-UHFFFAOYSA-N 1 0 354.454 2.279 50 0 FEAARO COc1cc2c(cc1CN1CCCN(C)C3(CC[NH+](C)CC3)C1)OCO2 ZINC000067588648 221261490 /nfs/dbraw/zinc/26/14/90/221261490.db2.gz RXOQFDWYCXGXMF-UHFFFAOYSA-N 1 0 361.486 2.026 50 0 FEAARO CC[N@@H+](Cc1cccc(C(=O)Nc2nc(C)n(C)n2)c1)C[C@H]1CCCO1 ZINC000067714730 221276421 /nfs/dbraw/zinc/27/64/21/221276421.db2.gz TUDKCIHARQMNGK-QGZVFWFLSA-N 1 0 357.458 2.377 50 0 FEAARO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000067741717 221279218 /nfs/dbraw/zinc/27/92/18/221279218.db2.gz PFTVOOZMTAZECM-GOSISDBHSA-N 1 0 366.469 2.216 50 0 FEAARO CCC1([NH2+]C[C@]2(O)CCCN(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000067726084 221278072 /nfs/dbraw/zinc/27/80/72/221278072.db2.gz KYXPPKVGAMOVRC-HXUWFJFHSA-N 1 0 362.470 2.090 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCCc3scnc3C)cnn2c1 ZINC000067674234 221267922 /nfs/dbraw/zinc/26/79/22/221267922.db2.gz BNMWBWACYQUFHH-UHFFFAOYSA-N 1 0 372.498 2.309 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(OC(F)(F)F)cc1 ZINC000067692000 221271612 /nfs/dbraw/zinc/27/16/12/221271612.db2.gz MFWXWUNRKLGXAQ-HIFRSBDPSA-N 1 0 359.392 2.355 50 0 FEAARO Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[NH2+]CC3)c(F)c1 ZINC000067696570 221273717 /nfs/dbraw/zinc/27/37/17/221273717.db2.gz LVSDHTNSSKKMPV-INIZCTEOSA-N 1 0 359.449 2.389 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC[C@H](CCCO)C3)cnn2c1 ZINC000067758777 221283462 /nfs/dbraw/zinc/28/34/62/221283462.db2.gz NQUASHRXYSBYAG-MRXNPFEDSA-N 1 0 373.501 2.196 50 0 FEAARO O=C1N[C@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccncc1 ZINC000067833577 221291204 /nfs/dbraw/zinc/29/12/04/221291204.db2.gz DLLSBOPFDTXBRQ-OAQYLSRUSA-N 1 0 364.449 2.115 50 0 FEAARO CC(C)Cc1nc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)no1 ZINC000067872449 221298570 /nfs/dbraw/zinc/29/85/70/221298570.db2.gz VBZMOLULMODKLY-UHFFFAOYSA-N 1 0 365.441 2.378 50 0 FEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(CCCF)CC2)C1 ZINC000071750333 221362784 /nfs/dbraw/zinc/36/27/84/221362784.db2.gz SLMCSMNRDCIRII-KRWDZBQOSA-N 1 0 362.493 2.234 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3noc(C4CC4)n3)CC2)C1)N1CCCC1 ZINC000071753328 221363260 /nfs/dbraw/zinc/36/32/60/221363260.db2.gz IGGLDXACXTYEAV-INIZCTEOSA-N 1 0 373.501 2.250 50 0 FEAARO CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000071751874 221363379 /nfs/dbraw/zinc/36/33/79/221363379.db2.gz CZTRTLTYYXIGQE-INIZCTEOSA-N 1 0 361.534 2.127 50 0 FEAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000071753103 221364376 /nfs/dbraw/zinc/36/43/76/221364376.db2.gz VDSVFOGYBBRLOQ-MRXNPFEDSA-N 1 0 358.486 2.411 50 0 FEAARO Cc1nc(N)ncc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071763083 221369538 /nfs/dbraw/zinc/36/95/38/221369538.db2.gz WOADFAOEHWSMIN-IPMKNSEASA-N 1 0 363.465 2.070 50 0 FEAARO C[NH2+]CCN(C)C(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071776404 221375081 /nfs/dbraw/zinc/37/50/81/221375081.db2.gz SHOJXTXBMLTQEL-QFIPXVFZSA-N 1 0 365.477 2.211 50 0 FEAARO C[NH+](C)CC(C)(C)CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082091504 542683047 /nfs/dbraw/zinc/68/30/47/542683047.db2.gz GIBFJEVLXKLGIY-UHFFFAOYSA-N 1 0 361.534 2.093 50 0 FEAARO COc1cccc(CCc2ccccc2C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC000082109306 542684319 /nfs/dbraw/zinc/68/43/19/542684319.db2.gz NTGVJIDXYNKNED-WOJBJXKFSA-N 1 0 354.450 2.015 50 0 FEAARO c1sc(-c2ncccn2)nc1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082161741 542686103 /nfs/dbraw/zinc/68/61/03/542686103.db2.gz VHRVZLLEKJVZAH-CQSZACIVSA-N 1 0 360.483 2.460 50 0 FEAARO Cc1ccc(N2CCC([N@@H+]3CC[C@]4(CC(=O)NC4=O)C3)CC2)cc1Cl ZINC000082096544 132194266 /nfs/dbraw/zinc/19/42/66/132194266.db2.gz UXJAQCLHJQRXHU-IBGZPJMESA-N 1 0 361.873 2.356 50 0 FEAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000082097771 132194500 /nfs/dbraw/zinc/19/45/00/132194500.db2.gz TUHHXHUJXXNUOU-IBGZPJMESA-N 1 0 363.461 2.351 50 0 FEAARO O=C(N[C@H]1C[N@@H+](CCO)C[C@@H]1C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000091745680 132203778 /nfs/dbraw/zinc/20/37/78/132203778.db2.gz AXDWDFURGYFGDK-UXHICEINSA-N 1 0 357.498 2.109 50 0 FEAARO CCc1cnc(C)nc1N1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000092045489 132205622 /nfs/dbraw/zinc/20/56/22/132205622.db2.gz QMPHVNNUSHOLPE-SFHVURJKSA-N 1 0 371.529 2.261 50 0 FEAARO CCc1nc2c(ncnc2N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)o1 ZINC000095509237 132212816 /nfs/dbraw/zinc/21/28/16/132212816.db2.gz NZWXUVISSRAVIH-CQSZACIVSA-N 1 0 369.473 2.322 50 0 FEAARO Cc1cc2c(ncnc2N2CCC([NH2+]CCCn3cnnc3)CC2)s1 ZINC000096167023 132221808 /nfs/dbraw/zinc/22/18/08/132221808.db2.gz JMCOCYUMWQTFFW-UHFFFAOYSA-N 1 0 357.487 2.240 50 0 FEAARO CCn1cnnc1CC[NH2+]C1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000096179799 132221921 /nfs/dbraw/zinc/22/19/21/132221921.db2.gz KWGXQSWFWSGDIB-UHFFFAOYSA-N 1 0 371.514 2.412 50 0 FEAARO O=C(c1cn2cccnc2n1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091468378 542808901 /nfs/dbraw/zinc/80/89/01/542808901.db2.gz WJXBVSYRLUVISI-ZWKOTPCHSA-N 1 0 361.449 2.466 50 0 FEAARO Cc1ccc2[nH]c(CN3CCN(C[C@@H]4CCC[N@@H+](C)C4)CC3)cc(=O)c2c1 ZINC000091663144 542819043 /nfs/dbraw/zinc/81/90/43/542819043.db2.gz XWWLMVNRAPRYEH-GOSISDBHSA-N 1 0 368.525 2.296 50 0 FEAARO CCN1C[C@@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1=O ZINC000091780770 542825251 /nfs/dbraw/zinc/82/52/51/542825251.db2.gz QKERFXPFJFFWAG-IBGZPJMESA-N 1 0 357.498 2.022 50 0 FEAARO COc1cc(C)c(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1C ZINC000091830596 542827355 /nfs/dbraw/zinc/82/73/55/542827355.db2.gz IMQYQBQFEMIPKT-NRFANRHFSA-N 1 0 359.514 2.441 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3cc(C)ccc3n2)C[C@@H]1CO ZINC000091860600 542829067 /nfs/dbraw/zinc/82/90/67/542829067.db2.gz DAVVLXWNIUDCOK-QZTJIDSGSA-N 1 0 357.498 2.475 50 0 FEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)Cc1ccccc1)C2 ZINC000092002880 542835528 /nfs/dbraw/zinc/83/55/28/542835528.db2.gz IETNZDZPKLBRJS-QZTJIDSGSA-N 1 0 351.516 2.169 50 0 FEAARO Cc1nc2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)ccc2[nH]1 ZINC000091997197 542835602 /nfs/dbraw/zinc/83/56/02/542835602.db2.gz FZXWIJLMHDHORA-UHFFFAOYSA-N 1 0 364.453 2.214 50 0 FEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)C[C@@H]1CO ZINC000092028603 542838201 /nfs/dbraw/zinc/83/82/01/542838201.db2.gz VIKIQVRNLILLCT-HUUCEWRRSA-N 1 0 350.890 2.390 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(C)c(C)s2)C1 ZINC000092028460 542838920 /nfs/dbraw/zinc/83/89/20/542838920.db2.gz NGGJPYKAYXJHGL-HZPDHXFCSA-N 1 0 354.516 2.014 50 0 FEAARO CCc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000092062064 542841895 /nfs/dbraw/zinc/84/18/95/542841895.db2.gz QRVZGCPICIWXTE-PKOBYXMFSA-N 1 0 367.497 2.354 50 0 FEAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C3(C(N)=O)CC3)CC2)C1 ZINC000092099696 542845850 /nfs/dbraw/zinc/84/58/50/542845850.db2.gz UKXALIXTSRKLSU-SFHVURJKSA-N 1 0 369.509 2.370 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000095367489 542961567 /nfs/dbraw/zinc/96/15/67/542961567.db2.gz IEFBTECKKISUNS-INIZCTEOSA-N 1 0 352.442 2.145 50 0 FEAARO Cc1cccc(N2CCC([N@@H+]3CCC[C@H](Cn4cc(CO)nn4)C3)CC2)c1 ZINC000023581035 136153075 /nfs/dbraw/zinc/15/30/75/136153075.db2.gz QTZZNZRAZXKKII-SFHVURJKSA-N 1 0 369.513 2.460 50 0 FEAARO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095354861 542958294 /nfs/dbraw/zinc/95/82/94/542958294.db2.gz XIHCUYWGKPNFAZ-OAHLLOKOSA-N 1 0 359.495 2.270 50 0 FEAARO [NH3+]C1(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)CC1 ZINC000095356617 542958586 /nfs/dbraw/zinc/95/85/86/542958586.db2.gz ZWRFTACXQCRRMI-SFHVURJKSA-N 1 0 367.493 2.265 50 0 FEAARO O=C(C1CCC1)N1CCCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000095360630 542959719 /nfs/dbraw/zinc/95/97/19/542959719.db2.gz VTJRLGFBKPLZAL-UHFFFAOYSA-N 1 0 373.497 2.353 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000095363417 542959767 /nfs/dbraw/zinc/95/97/67/542959767.db2.gz BQGYDGXWUKCBLH-INIZCTEOSA-N 1 0 370.453 2.193 50 0 FEAARO O=C(COc1ccc2c(c1)CCC2)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000095426538 542969036 /nfs/dbraw/zinc/96/90/36/542969036.db2.gz GLXSFGTXXUVDIC-SFTDATJTSA-N 1 0 372.509 2.438 50 0 FEAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC4CC4)C3)nc2c1 ZINC000095446865 542970294 /nfs/dbraw/zinc/97/02/94/542970294.db2.gz UCSYQELYEMEVNB-KBPBESRZSA-N 1 0 369.469 2.427 50 0 FEAARO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCCn1ccnc1C)C2 ZINC000095498705 542973903 /nfs/dbraw/zinc/97/39/03/542973903.db2.gz DULLJXQYDRIVQC-ZWKOTPCHSA-N 1 0 371.485 2.309 50 0 FEAARO O=C(CCC1CCN(C(=O)[C@H]2C=CC[NH2+]2)CC1)N1CCc2ccccc2C1 ZINC000095499238 542974542 /nfs/dbraw/zinc/97/45/42/542974542.db2.gz IZCMUASOFFELRN-HXUWFJFHSA-N 1 0 367.493 2.118 50 0 FEAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)C1 ZINC000095963473 542984547 /nfs/dbraw/zinc/98/45/47/542984547.db2.gz MEFCXFLNGHCPLT-YJMBLLCNSA-N 1 0 373.541 2.149 50 0 FEAARO CS[C@@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@H]1[NH+](C)C ZINC000095996476 542985953 /nfs/dbraw/zinc/98/59/53/542985953.db2.gz YWGMZYKFXMOBOL-RNFRBKRXSA-N 1 0 355.411 2.066 50 0 FEAARO CC[NH+]1CCN(C(C)(C)CNC(=O)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000095524525 542980832 /nfs/dbraw/zinc/98/08/32/542980832.db2.gz NMKGVNDJTFUBMM-IBGZPJMESA-N 1 0 360.546 2.130 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)s1 ZINC000095527826 542982124 /nfs/dbraw/zinc/98/21/24/542982124.db2.gz PEJVUIBKNKNHDZ-KRWDZBQOSA-N 1 0 359.495 2.008 50 0 FEAARO COc1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000095918126 542982497 /nfs/dbraw/zinc/98/24/97/542982497.db2.gz LWCYBGMDXQAEJW-MRXNPFEDSA-N 1 0 361.438 2.284 50 0 FEAARO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1OCc1csc(C)n1 ZINC000126120084 543918994 /nfs/dbraw/zinc/91/89/94/543918994.db2.gz GKDYWXXYFRVPAG-LBPRGKRZSA-N 1 0 361.467 2.473 50 0 FEAARO COCCN1CC2(CCC1=O)CC[NH+](C[C@H]1COc3ccccc3O1)CC2 ZINC000091770639 221795096 /nfs/dbraw/zinc/79/50/96/221795096.db2.gz TYLDUBMPPJWVPH-KRWDZBQOSA-N 1 0 374.481 2.177 50 0 FEAARO COc1ccc([C@@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@@H]32)c(OC)c1OC ZINC000095117695 221849398 /nfs/dbraw/zinc/84/93/98/221849398.db2.gz FGSKGRHSNQNBAW-CABCVRRESA-N 1 0 352.394 2.499 50 0 FEAARO Cc1cccc(CC2(NC(=O)[C@H]3C[NH2+]C[C@H](C(=O)N4CCCC4)C3)CC2)c1 ZINC000095388138 221893557 /nfs/dbraw/zinc/89/35/57/221893557.db2.gz VJYUQKIYQCLZMY-RTBURBONSA-N 1 0 369.509 2.034 50 0 FEAARO Cc1nn(C)c2nc(N3CCCC[C@@H]3CCN3CC[NH+](C)CC3)sc12 ZINC000096131653 222036025 /nfs/dbraw/zinc/03/60/25/222036025.db2.gz FRJLYCLZLZCDFS-OAHLLOKOSA-N 1 0 362.547 2.335 50 0 FEAARO NC(=O)C1CC[NH+](CCCNC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000096141084 222045921 /nfs/dbraw/zinc/04/59/21/222045921.db2.gz RQDJMMRDZWNQTG-UHFFFAOYSA-N 1 0 356.829 2.188 50 0 FEAARO Cc1nc(-c2ncc(C(=O)N3CCC[C@]4(CC[N@@H+](C)C4)C3)c(=O)[nH]2)cs1 ZINC000096141698 222046413 /nfs/dbraw/zinc/04/64/13/222046413.db2.gz IIFIKPCAEMXLCQ-GOSISDBHSA-N 1 0 373.482 2.172 50 0 FEAARO C[NH+]1CCC(n2nc(-c3ccc(Cl)cc3)nc2CCn2cnnn2)CC1 ZINC000096152206 222053541 /nfs/dbraw/zinc/05/35/41/222053541.db2.gz LCNJBPRBZNQBOT-UHFFFAOYSA-N 1 0 372.864 2.094 50 0 FEAARO COc1ccccc1-c1ncc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)cn1 ZINC000097546670 222189672 /nfs/dbraw/zinc/18/96/72/222189672.db2.gz AQYOQJQBZANEFC-INIZCTEOSA-N 1 0 355.438 2.268 50 0 FEAARO [NH3+]C1(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)Cc2ccccc2C1 ZINC000097228921 222170206 /nfs/dbraw/zinc/17/02/06/222170206.db2.gz OTQSRWRIADLEQH-UHFFFAOYSA-N 1 0 364.445 2.310 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)C[C@H]3CO)CC2)on1 ZINC000097681974 222206404 /nfs/dbraw/zinc/20/64/04/222206404.db2.gz PAUYIOHHDRCZEN-INIZCTEOSA-N 1 0 373.453 2.313 50 0 FEAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000097805648 222214235 /nfs/dbraw/zinc/21/42/35/222214235.db2.gz YPPMCNDTPOLRNV-AWEZNQCLSA-N 1 0 365.433 2.194 50 0 FEAARO Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000097813748 222215139 /nfs/dbraw/zinc/21/51/39/222215139.db2.gz MDRBCSDCHKZPEH-LJQANCHMSA-N 1 0 365.905 2.314 50 0 FEAARO CS(=O)(=O)c1ccc(C2(C(=O)NC3CC[NH2+]CC3)CCCCC2)cc1 ZINC000426612843 263643562 /nfs/dbraw/zinc/64/35/62/263643562.db2.gz MLBOXUBVXVCYQJ-UHFFFAOYSA-N 1 0 364.511 2.160 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCc1cc(-c2ccccc2)no1 ZINC000426662489 263653542 /nfs/dbraw/zinc/65/35/42/263653542.db2.gz TXNQZNGXEGJYNW-INIZCTEOSA-N 1 0 365.437 2.322 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3OCCc4ccccc43)cn2)CC1 ZINC000115325403 325950984 /nfs/dbraw/zinc/95/09/84/325950984.db2.gz LGSQUVJUDVHJPO-LJQANCHMSA-N 1 0 366.465 2.476 50 0 FEAARO C[C@@]1(C[NH3+])CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)C1 ZINC000261679042 328811014 /nfs/dbraw/zinc/81/10/14/328811014.db2.gz ANVGAJBETFNXKJ-IBGZPJMESA-N 1 0 360.408 2.450 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)COc3ccc(F)cc3)cc2C1 ZINC000082097528 519854726 /nfs/dbraw/zinc/85/47/26/519854726.db2.gz MMZFXDOLQWNWCX-UHFFFAOYSA-N 1 0 360.433 2.333 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)CCn3cc(Cl)cn3)cc2C1 ZINC000082114461 519854875 /nfs/dbraw/zinc/85/48/75/519854875.db2.gz IDFSMYHSAFGZSV-UHFFFAOYSA-N 1 0 364.881 2.055 50 0 FEAARO CC[N@H+](C)[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091603183 520270563 /nfs/dbraw/zinc/27/05/63/520270563.db2.gz DNZXKSLGXXYUQF-KRWDZBQOSA-N 1 0 372.513 2.153 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000241301052 521638008 /nfs/dbraw/zinc/63/80/08/521638008.db2.gz LPYOSABQADEEAL-RBUKOAKNSA-N 1 0 357.498 2.068 50 0 FEAARO [NH3+]CCCOc1ccc(C(=O)NCc2cnn3cccnc23)cc1Cl ZINC000299757428 534617893 /nfs/dbraw/zinc/61/78/93/534617893.db2.gz HFJFXKDOAAEAIQ-UHFFFAOYSA-N 1 0 359.817 2.040 50 0 FEAARO [NH3+]CCCOc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000299800089 534618041 /nfs/dbraw/zinc/61/80/41/534618041.db2.gz UXPCAEGBCQIHEU-MRXNPFEDSA-N 1 0 371.437 2.042 50 0 FEAARO COc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCOCC4)CC3)[nH]n2)cc1 ZINC000091625648 523093049 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c1cnn(Cc2ccccc2C[N@@H+]2CCCO[C@H](Cn3cccn3)C2)c1 ZINC000215059367 548668526 /nfs/dbraw/zinc/66/85/26/548668526.db2.gz QJKZLHMLIBFTDO-FQEVSTJZSA-N 1 0 351.454 2.419 50 0 FEAARO Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCC(NS(C)(=O)=O)CC2)c1 ZINC000216268842 548675994 /nfs/dbraw/zinc/67/59/94/548675994.db2.gz SANYORWRWJXRIH-UHFFFAOYSA-N 1 0 362.499 2.207 50 0 FEAARO C[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000221361108 548705128 /nfs/dbraw/zinc/70/51/28/548705128.db2.gz ZLYDQXCHEPMBKP-OAHLLOKOSA-N 1 0 355.404 2.096 50 0 FEAARO Cn1c(Cn2c3ccccc3nc2N2CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222309590 548706848 /nfs/dbraw/zinc/70/68/48/548706848.db2.gz YZMYRSSYBAPANB-OKILXGFUSA-N 1 0 351.458 2.018 50 0 FEAARO O=C(NCC[NH+]1CCC(O)CC1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000222844365 548713375 /nfs/dbraw/zinc/71/33/75/548713375.db2.gz ARLUGVCSLONKTM-UHFFFAOYSA-N 1 0 365.477 2.393 50 0 FEAARO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000229821793 548756325 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Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127462 539706721 /nfs/dbraw/zinc/70/67/21/539706721.db2.gz TYSOQJCWOYCMTC-UHFFFAOYSA-N 1 0 369.465 2.233 50 0 FEAARO CCCNc1ccccc1C(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000023581506 539717023 /nfs/dbraw/zinc/71/70/23/539717023.db2.gz YAGKCYRKGAPPJV-UHFFFAOYSA-N 1 0 356.474 2.111 50 0 FEAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000025304718 539754910 /nfs/dbraw/zinc/75/49/10/539754910.db2.gz MKFLOLLUYACQHH-LJQANCHMSA-N 1 0 372.465 2.186 50 0 FEAARO CC(C)c1ccccc1OC[C@H](O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000025764488 539768103 /nfs/dbraw/zinc/76/81/03/539768103.db2.gz NIAPNSAWYBGWMH-RTBURBONSA-N 1 0 362.514 2.346 50 0 FEAARO Cc1cccc(N2C[C@H](C(=O)NC3CC[NH+](C4CC4)CC3)CC2=O)c1C ZINC000029090733 539842698 /nfs/dbraw/zinc/84/26/98/539842698.db2.gz IBOGZULBINNXTO-MRXNPFEDSA-N 1 0 355.482 2.399 50 0 FEAARO CN1C(=O)c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCc4ccccc43)cc2C1=O ZINC000029487292 539855213 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C[N@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccc2c(c1)OCO2 ZINC000032870855 539957107 /nfs/dbraw/zinc/95/71/07/539957107.db2.gz FDAXEQGYXWEGBW-UHFFFAOYSA-N 1 0 361.423 2.036 50 0 FEAARO O=C(NC1CCCCC1)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035347835 539980349 /nfs/dbraw/zinc/98/03/49/539980349.db2.gz ZPSLHJJMIIQEEF-FQEVSTJZSA-N 1 0 369.509 2.388 50 0 FEAARO NC(=O)C1CC[NH+](CCCNC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000040114589 540007073 /nfs/dbraw/zinc/00/70/73/540007073.db2.gz DHQHXOXCPFWKEY-UHFFFAOYSA-N 1 0 358.269 2.311 50 0 FEAARO C[NH+]1CCC(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CC1 ZINC000040158596 540008683 /nfs/dbraw/zinc/00/86/83/540008683.db2.gz UOWTZBNUTMCFFK-UHFFFAOYSA-N 1 0 360.483 2.413 50 0 FEAARO CC[NH+](CC)CCn1cc(NC(=O)NC[C@@H](O)c2ccc(C)cc2)cn1 ZINC000040158648 540008739 /nfs/dbraw/zinc/00/87/39/540008739.db2.gz XUZNHDKEYWDTOD-GOSISDBHSA-N 1 0 359.474 2.388 50 0 FEAARO COc1ccc(-c2cc(CNC(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)on2)cc1 ZINC000299800512 223104557 /nfs/dbraw/zinc/10/45/57/223104557.db2.gz 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O=C(Cc1cccnc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072173960 541796089 /nfs/dbraw/zinc/79/60/89/541796089.db2.gz QIMXVMZZKSOITD-KSEOMHKRSA-N 1 0 363.461 2.419 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1ccc(SCCO)cc1)CC[NH2+]C2 ZINC000072411295 541807360 /nfs/dbraw/zinc/80/73/60/541807360.db2.gz RHWPKOLFDGHXMR-UHFFFAOYSA-N 1 0 357.479 2.050 50 0 FEAARO Cc1nc[nH]c1C[N@@H+]1CCc2ncnc(N[C@H](C)c3ncc[nH]3)c2CC1 ZINC000072421255 541809153 /nfs/dbraw/zinc/80/91/53/541809153.db2.gz IDFOSNOJBGWQEX-CYBMUJFWSA-N 1 0 352.446 2.005 50 0 FEAARO O[C@]1(CN(CCc2c[nH]c3ccccc23)Cc2cccnc2)CC[NH2+]C1 ZINC000072423618 541810023 /nfs/dbraw/zinc/81/00/23/541810023.db2.gz OAQZFIIDBRLMSR-OAQYLSRUSA-N 1 0 350.466 2.332 50 0 FEAARO Cc1occc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072428277 541811705 /nfs/dbraw/zinc/81/17/05/541811705.db2.gz ROJFUAPRAHKLMN-FUHWJXTLSA-N 1 0 359.470 2.041 50 0 FEAARO O=C1OC2(CN1CCOc1ccccc1)CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000072432635 541813479 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C[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000134182687 203806755 /nfs/dbraw/zinc/80/67/55/203806755.db2.gz CEZVHFFNBGTVQB-CQSZACIVSA-N 1 0 363.259 2.459 50 0 FEAARO CCOC(=O)c1c(NC(=O)CC[N@H+](C)CCO)sc2c1CCCC2 ZINC000002075366 204025005 /nfs/dbraw/zinc/02/50/05/204025005.db2.gz CUQCSNVAKQZKGL-UHFFFAOYSA-N 1 0 354.472 2.056 50 0 FEAARO COC(=O)CC[NH2+]CCSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000002638961 204048219 /nfs/dbraw/zinc/04/82/19/204048219.db2.gz KAFPTPDJTUFCIM-UHFFFAOYSA-N 1 0 354.863 2.380 50 0 FEAARO NC(=O)C1CC[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000002643569 204048924 /nfs/dbraw/zinc/04/89/24/204048924.db2.gz OERPRFHSUPQHGZ-UHFFFAOYSA-N 1 0 351.450 2.090 50 0 FEAARO NC(=O)C1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000003402039 204097851 /nfs/dbraw/zinc/09/78/51/204097851.db2.gz SKWWVJGDCXGXHZ-IBGZPJMESA-N 1 0 354.450 2.291 50 0 FEAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)cc1OC ZINC000006626754 204256819 /nfs/dbraw/zinc/25/68/19/204256819.db2.gz PNCCGDXXTWDVPH-GOSISDBHSA-N 1 0 373.449 2.478 50 0 FEAARO Cc1nc(-c2ccccc2)nc2sc3c(nnn(CC[NH+](C)C)c3=O)c21 ZINC000008991725 204351663 /nfs/dbraw/zinc/35/16/63/204351663.db2.gz KYGRPULTFOGLCT-UHFFFAOYSA-N 1 0 366.450 2.333 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000036390288 204379183 /nfs/dbraw/zinc/37/91/83/204379183.db2.gz NXCHVFFVTCLFRT-KGLIPLIRSA-N 1 0 354.472 2.014 50 0 FEAARO COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NCC[NH+](C)C)c1 ZINC000010312696 204394182 /nfs/dbraw/zinc/39/41/82/204394182.db2.gz DBEUEGRMOMJDFB-UHFFFAOYSA-N 1 0 371.437 2.248 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000012597008 204481467 /nfs/dbraw/zinc/48/14/67/204481467.db2.gz KBHMAAKUGWNJCI-LJQANCHMSA-N 1 0 373.497 2.431 50 0 FEAARO O=C(CCn1cncn1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012458266 204466555 /nfs/dbraw/zinc/46/65/55/204466555.db2.gz LASMPYFDCZCZCU-OAQYLSRUSA-N 1 0 367.497 2.225 50 0 FEAARO O=C(CCn1cncn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000039355045 205044001 /nfs/dbraw/zinc/04/40/01/205044001.db2.gz OPBFUEDGQBYXBI-FQEVSTJZSA-N 1 0 371.460 2.322 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073665 205052321 /nfs/dbraw/zinc/05/23/21/205052321.db2.gz IOBVDEHCOMJVHP-DLBZAZTESA-N 1 0 361.486 2.427 50 0 FEAARO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040154250 205060915 /nfs/dbraw/zinc/06/09/15/205060915.db2.gz FZCDEFXZJPTLER-DOTOQJQBSA-N 1 0 371.510 2.412 50 0 FEAARO Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCOCCO)c2)cc1 ZINC000040739156 205080786 /nfs/dbraw/zinc/08/07/86/205080786.db2.gz VCUHVTHSMCPKKO-UHFFFAOYSA-N 1 0 358.438 2.111 50 0 FEAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)ccc1OC(C)C ZINC000040721873 205077585 /nfs/dbraw/zinc/07/75/85/205077585.db2.gz GVXQQIYETTYKRT-UHFFFAOYSA-N 1 0 351.476 2.278 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000299739168 205115603 /nfs/dbraw/zinc/11/56/03/205115603.db2.gz LIJHREQPZWMHCS-XQQFMLRXSA-N 1 0 352.276 2.271 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000299738407 205116495 /nfs/dbraw/zinc/11/64/95/205116495.db2.gz AJENGRWWXJAVMB-JMSVASOKSA-N 1 0 353.260 2.476 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000047406825 205147167 /nfs/dbraw/zinc/14/71/67/205147167.db2.gz UODCXAQURKLXRW-GASCZTMLSA-N 1 0 352.500 2.268 50 0 FEAARO C[C@H](CCCC(C)(C)O)CC[NH+]1CCC(n2cc(CCO)nn2)CC1 ZINC000055119123 205207910 /nfs/dbraw/zinc/20/79/10/205207910.db2.gz NTNYDTFNZJXIAP-MRXNPFEDSA-N 1 0 352.523 2.417 50 0 FEAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccc(CN(C)S(C)(=O)=O)o2)c1 ZINC000055342770 205215144 /nfs/dbraw/zinc/21/51/44/205215144.db2.gz VRRXJRUOGOYVBL-HNNXBMFYSA-N 1 0 365.499 2.437 50 0 FEAARO C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000058202434 205260115 /nfs/dbraw/zinc/26/01/15/205260115.db2.gz QSLRUUUOHWSDQL-RHSMWYFYSA-N 1 0 361.511 2.336 50 0 FEAARO COc1ccccc1N1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC000058210385 205262523 /nfs/dbraw/zinc/26/25/23/205262523.db2.gz HAJDQSOMGWCZLP-IAGOWNOFSA-N 1 0 373.497 2.285 50 0 FEAARO CCNc1nnc(SC[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000058225172 205265747 /nfs/dbraw/zinc/26/57/47/205265747.db2.gz YCWOTZGOAGOODG-CQSZACIVSA-N 1 0 350.513 2.481 50 0 FEAARO Cc1cc(NC(=O)NCc2ccc(CN3CCC[N@@H+](C)CC3)cc2)no1 ZINC000058248947 205267378 /nfs/dbraw/zinc/26/73/78/205267378.db2.gz RWKCSOCGBKSGES-UHFFFAOYSA-N 1 0 357.458 2.442 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccoc2)[NH+]2CCCC2)cc1 ZINC000058370626 205272706 /nfs/dbraw/zinc/27/27/06/205272706.db2.gz ZAPBWDWPCRFEJQ-GOSISDBHSA-N 1 0 355.438 2.271 50 0 FEAARO C[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000061031042 205285168 /nfs/dbraw/zinc/28/51/68/205285168.db2.gz RLHKCWUDIPZUDJ-FQEVSTJZSA-N 1 0 365.477 2.238 50 0 FEAARO CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)Cc1nnc([C@@H](C)[NH3+])[nH]1 ZINC000063882105 205296350 /nfs/dbraw/zinc/29/63/50/205296350.db2.gz OJNPHGNWYSHYBR-GFCCVEGCSA-N 1 0 373.457 2.313 50 0 FEAARO C[C@H]([NH2+]CCN1N=C(c2ccccc2)CCC1=O)C(=O)NC1CCCC1 ZINC000065431763 205350759 /nfs/dbraw/zinc/35/07/59/205350759.db2.gz OLVWCFLCUCRLKP-HNNXBMFYSA-N 1 0 356.470 2.050 50 0 FEAARO CCn1c(CC2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)nn(C)c1=O ZINC000065460612 205351361 /nfs/dbraw/zinc/35/13/61/205351361.db2.gz APKNLWHMORYLJL-INIZCTEOSA-N 1 0 350.507 2.061 50 0 FEAARO O=C(NCc1ccccn1)C1(Oc2cccc3ncccc32)CC[NH2+]CC1 ZINC000065528332 205358721 /nfs/dbraw/zinc/35/87/21/205358721.db2.gz HKBYODGKPPFXOD-UHFFFAOYSA-N 1 0 362.433 2.447 50 0 FEAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000065330694 205336869 /nfs/dbraw/zinc/33/68/69/205336869.db2.gz OCVCBWQFEDSHGA-OAHLLOKOSA-N 1 0 373.526 2.462 50 0 FEAARO CCNc1nc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000065363384 205337941 /nfs/dbraw/zinc/33/79/41/205337941.db2.gz OTYSBCUZKBHELV-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO Cc1ccc(NC(=O)CC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000065371729 205340707 /nfs/dbraw/zinc/34/07/07/205340707.db2.gz DALMLAMFVQEGSQ-UHFFFAOYSA-N 1 0 351.450 2.498 50 0 FEAARO O=C(Nc1ccccc1)c1cc2n(n1)CCCN(c1cc[nH+]c(CO)c1)C2 ZINC000065372838 205341946 /nfs/dbraw/zinc/34/19/46/205341946.db2.gz QTVSKVROLXWMOD-UHFFFAOYSA-N 1 0 363.421 2.433 50 0 FEAARO O=C(CCSCc1ccc(F)cc1)NCC[NH+]1CCC(CO)CC1 ZINC000065396967 205345029 /nfs/dbraw/zinc/34/50/29/205345029.db2.gz MJEQUTPSITWBJO-UHFFFAOYSA-N 1 0 354.491 2.270 50 0 FEAARO O=c1c2c3c(sc2ncn1C[C@H]1CCc2ccccc2O1)C[NH2+]CC3 ZINC000065407889 205348404 /nfs/dbraw/zinc/34/84/04/205348404.db2.gz VERFPBYXHHCMBI-CYBMUJFWSA-N 1 0 353.447 2.498 50 0 FEAARO CN1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC12CC[NH+](C)CC2 ZINC000067460169 205373770 /nfs/dbraw/zinc/37/37/70/205373770.db2.gz SNYZLTXGBDVVOV-UHFFFAOYSA-N 1 0 361.461 2.027 50 0 FEAARO CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCC[NH2+]CC3)nc2)C1 ZINC000067603967 205375908 /nfs/dbraw/zinc/37/59/08/205375908.db2.gz DAMIGRXRKKHPPF-GOSISDBHSA-N 1 0 372.513 2.349 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3ccc(OC)c(C)c3)CC2)nn(C)c1=O ZINC000067675493 205381439 /nfs/dbraw/zinc/38/14/39/205381439.db2.gz CNSKTOAMWOAKOS-UHFFFAOYSA-N 1 0 358.486 2.373 50 0 FEAARO CC(=O)N1CCC[C@@H](CNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067723322 205386215 /nfs/dbraw/zinc/38/62/15/205386215.db2.gz HVCYSVBSRMSWRB-INIZCTEOSA-N 1 0 365.481 2.460 50 0 FEAARO CC1CC[NH+](CCNC(=O)c2cc(Cn3cnc4ccccc43)n[nH]2)CC1 ZINC000067725950 205388131 /nfs/dbraw/zinc/38/81/31/205388131.db2.gz STCHNNCLEFPEDC-UHFFFAOYSA-N 1 0 366.469 2.269 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N(C)Cc3cccnc3)cnn2c1 ZINC000067818190 205394698 /nfs/dbraw/zinc/39/46/98/205394698.db2.gz KHHLLJDOOSCTIX-UHFFFAOYSA-N 1 0 352.442 2.238 50 0 FEAARO Cc1n[nH]c(C)c1C[NH+]1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 ZINC000067841008 205396569 /nfs/dbraw/zinc/39/65/69/205396569.db2.gz XSNDPQQDGSJXCE-UHFFFAOYSA-N 1 0 366.469 2.339 50 0 FEAARO Cc1ccc(F)c(C(=O)N[C@H](C)c2nnc3n2CC[NH2+]CC3)c1Cl ZINC000067850351 205397492 /nfs/dbraw/zinc/39/74/92/205397492.db2.gz ILEXARLGGPDSBD-SNVBAGLBSA-N 1 0 351.813 2.016 50 0 FEAARO [NH3+]CCC(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000067921883 205402827 /nfs/dbraw/zinc/40/28/27/205402827.db2.gz ZUVSFCYEARFDAV-UHFFFAOYSA-N 1 0 374.420 2.179 50 0 FEAARO O=C(CCCOCc1ccccc1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072162854 205492241 /nfs/dbraw/zinc/49/22/41/205492241.db2.gz QGBTWVUHMLKPRS-UHFFFAOYSA-N 1 0 360.498 2.431 50 0 FEAARO O=C(Cc1ccc(F)cc1Cl)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077451853 205600137 /nfs/dbraw/zinc/60/01/37/205600137.db2.gz YKARLNRYWLAPJH-SFHVURJKSA-N 1 0 354.853 2.471 50 0 FEAARO Cc1nnnn1CCC[N@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077471892 205603995 /nfs/dbraw/zinc/60/39/95/205603995.db2.gz ZUEFQXWLCJHQOY-IBGZPJMESA-N 1 0 362.522 2.122 50 0 FEAARO CC(C)CN1CC2(CC1=O)CC[NH+](CC(=O)NCc1ccccc1)CC2 ZINC000091873420 205701364 /nfs/dbraw/zinc/70/13/64/205701364.db2.gz WOUOUWXTQPOMNC-UHFFFAOYSA-N 1 0 357.498 2.273 50 0 FEAARO CCc1c(C)[nH+]c(N)nc1N1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000095378367 205744206 /nfs/dbraw/zinc/74/42/06/205744206.db2.gz BCZDJPGYSSAYCI-UHFFFAOYSA-N 1 0 363.469 2.175 50 0 FEAARO COC(=O)[C@@H](Cc1ccco1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095465969 205761211 /nfs/dbraw/zinc/76/12/11/205761211.db2.gz YLMMWLVZIWKXRA-IBGZPJMESA-N 1 0 370.449 2.392 50 0 FEAARO c1ccc([C@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)c2ccccn2)cc1 ZINC000095466205 205763069 /nfs/dbraw/zinc/76/30/69/205763069.db2.gz RQAHSMVLVHZAIK-FCEUIQTBSA-N 1 0 367.493 2.498 50 0 FEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000095996700 205802063 /nfs/dbraw/zinc/80/20/63/205802063.db2.gz IHUHMQLTOMGAIU-GFCCVEGCSA-N 1 0 371.268 2.169 50 0 FEAARO CCO[C@H]1C[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1(CC)CC ZINC000236990624 206026412 /nfs/dbraw/zinc/02/64/12/206026412.db2.gz CLWFOTXZURUZKV-SJORKVTESA-N 1 0 363.506 2.258 50 0 FEAARO CCOc1c(Br)cc(C(=O)N2CCC([NH3+])CC2)cc1OC ZINC000237015647 206061006 /nfs/dbraw/zinc/06/10/06/206061006.db2.gz DJNQTIJZMWMEIB-UHFFFAOYSA-N 1 0 357.248 2.420 50 0 FEAARO CCc1nc(C)c([C@H](C)N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000237025366 206076672 /nfs/dbraw/zinc/07/66/72/206076672.db2.gz AUSDGGNZBXKFSI-LBPRGKRZSA-N 1 0 362.503 2.363 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000237156236 206088760 /nfs/dbraw/zinc/08/87/60/206088760.db2.gz KPABNIUCFAJRFW-QMMMGPOBSA-N 1 0 369.231 2.100 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)OC[C@@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000237554183 206105234 /nfs/dbraw/zinc/10/52/34/206105234.db2.gz ZGLSBIZKPAEMAE-RDTXWAMCSA-N 1 0 369.469 2.113 50 0 FEAARO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)nn1-c1ccc(Br)cc1 ZINC000237532003 206106118 /nfs/dbraw/zinc/10/61/18/206106118.db2.gz LJBWCJYAWMEXJT-NSHDSACASA-N 1 0 363.259 2.377 50 0 FEAARO Cc1csc([C@@H]2CCCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)n1 ZINC000237946732 206110614 /nfs/dbraw/zinc/11/06/14/206110614.db2.gz WAPBCPZJKBNIRK-CQSZACIVSA-N 1 0 374.514 2.296 50 0 FEAARO O=C(NC[C@H](O)c1c(F)cccc1F)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238003787 206111551 /nfs/dbraw/zinc/11/15/51/206111551.db2.gz HUMGVFIFHVOSIR-KRWDZBQOSA-N 1 0 360.404 2.436 50 0 FEAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)C[NH+]1CCC(C)CC1 ZINC000004064099 206166374 /nfs/dbraw/zinc/16/63/74/206166374.db2.gz JBWJFODCIZATJF-IBGZPJMESA-N 1 0 369.465 2.326 50 0 biogenic FEAARO CCN(CC)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000102772825 206230094 /nfs/dbraw/zinc/23/00/94/206230094.db2.gz WETQMQHLUVWWKI-LSDHHAIUSA-N 1 0 353.513 2.495 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)C1 ZINC000169678569 206255369 /nfs/dbraw/zinc/25/53/69/206255369.db2.gz RHYXTUBGCPPJLF-BEFAXECRSA-N 1 0 370.497 2.459 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000012905992 206297809 /nfs/dbraw/zinc/29/78/09/206297809.db2.gz WHEVNNQPONXWKM-UHFFFAOYSA-N 1 0 365.433 2.412 50 0 FEAARO COc1ccc([C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000219752641 206389739 /nfs/dbraw/zinc/38/97/39/206389739.db2.gz ZYZCCMZRGBADSP-HHXXYDBFSA-N 1 0 361.486 2.139 50 0 FEAARO C[NH+]1CCC(CNC(=O)[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000222421500 206415938 /nfs/dbraw/zinc/41/59/38/206415938.db2.gz UNZMLBZSEMVVHB-CQSZACIVSA-N 1 0 370.419 2.385 50 0 FEAARO COC1CC[NH+](CCNC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000075106164 542153012 /nfs/dbraw/zinc/15/30/12/542153012.db2.gz OSGATWAVKZBIFS-UHFFFAOYSA-N 1 0 356.470 2.330 50 0 FEAARO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c(OC(C)C)c1 ZINC000252507597 206578195 /nfs/dbraw/zinc/57/81/95/206578195.db2.gz WOZORRGHUBQYCA-MRXNPFEDSA-N 1 0 364.486 2.305 50 0 FEAARO COc1cc(C(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)ccn1 ZINC000077385201 542375390 /nfs/dbraw/zinc/37/53/90/542375390.db2.gz NIILKRQTQDMEDV-UHFFFAOYSA-N 1 0 369.469 2.365 50 0 FEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCn1nnc2ccccc21 ZINC000077391335 542376897 /nfs/dbraw/zinc/37/68/97/542376897.db2.gz RJGXRFBDJZOWBR-GOSISDBHSA-N 1 0 363.465 2.337 50 0 FEAARO Cc1nc(CN2CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)cs1 ZINC000077470377 542385916 /nfs/dbraw/zinc/38/59/16/542385916.db2.gz VRMDHLLSJDEENY-KRWDZBQOSA-N 1 0 351.516 2.297 50 0 FEAARO Cc1cc(C)c2nc(C)cc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000077485324 542387516 /nfs/dbraw/zinc/38/75/16/542387516.db2.gz RSTYGRJEJOZCMC-MRXNPFEDSA-N 1 0 368.481 2.087 50 0 FEAARO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000058424705 221119117 /nfs/dbraw/zinc/11/91/17/221119117.db2.gz VKCCHIFUMKDTNC-UHFFFAOYSA-N 1 0 365.424 2.172 50 0 FEAARO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cncc(Br)c1 ZINC000078821283 542483508 /nfs/dbraw/zinc/48/35/08/542483508.db2.gz WXYXJFGBTXMHSV-LBPRGKRZSA-N 1 0 368.275 2.075 50 0 FEAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC000079060511 542497221 /nfs/dbraw/zinc/49/72/21/542497221.db2.gz JWQBROSCHLIKSR-UHFFFAOYSA-N 1 0 353.401 2.412 50 0 FEAARO CCN1CCC([NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)CC1 ZINC000082120607 542684682 /nfs/dbraw/zinc/68/46/82/542684682.db2.gz RHFHGHCGQPYYQX-UHFFFAOYSA-N 1 0 360.550 2.338 50 0 FEAARO c1nc2nc(-c3ccccc3)cc(NC3CC[NH+]([C@@H]4CCOC4)CC3)n2n1 ZINC000084560050 542716712 /nfs/dbraw/zinc/71/67/12/542716712.db2.gz RUDAOVZXDUGXOS-QGZVFWFLSA-N 1 0 364.453 2.457 50 0 FEAARO Cc1cc(N2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cc(C)[nH+]1 ZINC000077453866 132185621 /nfs/dbraw/zinc/18/56/21/132185621.db2.gz UAHQGLQONMDWLK-UHFFFAOYSA-N 1 0 370.501 2.043 50 0 FEAARO CC(=O)N1CC[N@@H+](C2CCN(c3ccc(C)c(Cl)c3)CC2)C[C@@H](O)C1 ZINC000091829717 132204126 /nfs/dbraw/zinc/20/41/26/132204126.db2.gz HTCZJQNVUICJQP-SFHVURJKSA-N 1 0 365.905 2.142 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2ccccc2)C(=O)C1 ZINC000095351994 132206836 /nfs/dbraw/zinc/20/68/36/132206836.db2.gz AGYOYNCUEFRCDZ-QGZVFWFLSA-N 1 0 367.449 2.367 50 0 FEAARO CCc1cc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc(N2CCOCC2)n1 ZINC000095497127 132211842 /nfs/dbraw/zinc/21/18/42/132211842.db2.gz YSFHPIKKKQSWES-IEBWSBKVSA-N 1 0 371.529 2.186 50 0 FEAARO CN(C)c1cncc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)n1 ZINC000095527350 132214937 /nfs/dbraw/zinc/21/49/37/132214937.db2.gz LGIJVEYWDQZXBF-UHFFFAOYSA-N 1 0 357.506 2.075 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN(c2ncccn2)C1 ZINC000096115639 132219338 /nfs/dbraw/zinc/21/93/38/132219338.db2.gz TZKYNUNTCGQBNH-RCCFBDPRSA-N 1 0 357.502 2.074 50 0 FEAARO Cc1cc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)ccc1-n1cncn1 ZINC000097106932 132227716 /nfs/dbraw/zinc/22/77/16/132227716.db2.gz JEFDTTTWGKIYAU-GOSISDBHSA-N 1 0 362.437 2.256 50 0 FEAARO Cc1ccc(N2CN(CCC[NH+](C)C)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000101448776 132234158 /nfs/dbraw/zinc/23/41/58/132234158.db2.gz MJLSSCRYXKPLBA-UHFFFAOYSA-N 1 0 355.486 2.489 50 0 FEAARO CC(C)Nc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)ncn1 ZINC000106954287 132240725 /nfs/dbraw/zinc/24/07/25/132240725.db2.gz VVLZSQYVOJJWBP-SFHVURJKSA-N 1 0 355.486 2.370 50 0 FEAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](c4ccncn4)C3)cc2)CC1 ZINC000215057422 132269633 /nfs/dbraw/zinc/26/96/33/132269633.db2.gz HVZPFOAYZYMKQF-SFHVURJKSA-N 1 0 365.481 2.248 50 0 FEAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000002943748 132384394 /nfs/dbraw/zinc/38/43/94/132384394.db2.gz RDKBSIUZXKOOIN-IYBDPMFKSA-N 1 0 359.470 2.181 50 0 FEAARO COc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(OC)c1 ZINC000022509320 132905405 /nfs/dbraw/zinc/90/54/05/132905405.db2.gz ZRVRZKQJMMWEQS-UHFFFAOYSA-N 1 0 370.453 2.032 50 0 FEAARO CCOc1ccc(C(=O)N2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc1Cl ZINC000091410034 542806437 /nfs/dbraw/zinc/80/64/37/542806437.db2.gz CFFGJMMSPNKCNN-KGLIPLIRSA-N 1 0 354.878 2.371 50 0 FEAARO C[N@@H+]1CCN(C(=O)NC2CCCC2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091474096 542809083 /nfs/dbraw/zinc/80/90/83/542809083.db2.gz ZPIYWSQWYMWPPR-FQEVSTJZSA-N 1 0 362.518 2.047 50 0 FEAARO [NH3+]CCc1ccc(C[N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)cc1 ZINC000091304683 542803695 /nfs/dbraw/zinc/80/36/95/542803695.db2.gz IYLAADMFZFYKSR-ZWKOTPCHSA-N 1 0 368.433 2.217 50 0 FEAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cnc(C(C)C)nc1)CC2 ZINC000091493109 542811129 /nfs/dbraw/zinc/81/11/29/542811129.db2.gz GFNRTBNMLWSEEJ-UHFFFAOYSA-N 1 0 360.502 2.451 50 0 FEAARO Cc1cnc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000091536108 542811397 /nfs/dbraw/zinc/81/13/97/542811397.db2.gz ZCLHCJKXFZYYQI-QFBILLFUSA-N 1 0 362.477 2.489 50 0 FEAARO O=C(Cc1ccc(F)cc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091574380 542813282 /nfs/dbraw/zinc/81/32/82/542813282.db2.gz BJYPBOGKIOVPCH-HUUCEWRRSA-N 1 0 354.853 2.184 50 0 FEAARO Cc1ccc2[nH]c(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)cc(=O)c2c1 ZINC000091574219 542813677 /nfs/dbraw/zinc/81/36/77/542813677.db2.gz ZULGYPJZPLFTHQ-QGZVFWFLSA-N 1 0 355.482 2.381 50 0 FEAARO Cc1nc(N2CCCC2)nc(N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000091595917 542815091 /nfs/dbraw/zinc/81/50/91/542815091.db2.gz DJJMBOGKCHMPHF-RTBURBONSA-N 1 0 373.545 2.224 50 0 FEAARO CC(=O)c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)cc1 ZINC000091738072 542822833 /nfs/dbraw/zinc/82/28/33/542822833.db2.gz GITIZEDCLLGCIO-YADHBBJMSA-N 1 0 373.541 2.100 50 0 FEAARO Cc1noc(C)c1C[NH+]1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 ZINC000091737672 542822923 /nfs/dbraw/zinc/82/29/23/542822923.db2.gz RPABVAQYDNTWLX-UHFFFAOYSA-N 1 0 369.473 2.353 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1CCCO ZINC000091650393 542818151 /nfs/dbraw/zinc/81/81/51/542818151.db2.gz ZDOMPMZYKYTQAX-QUCCMNQESA-N 1 0 359.514 2.452 50 0 FEAARO COCCC[C@]1(CO)CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000091915285 542832227 /nfs/dbraw/zinc/83/22/27/542832227.db2.gz LCYFWDIYRSDQIR-HXUWFJFHSA-N 1 0 352.519 2.279 50 0 FEAARO C[N@@H+]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@]12CCNC(=O)CC2 ZINC000091973927 542835246 /nfs/dbraw/zinc/83/52/46/542835246.db2.gz YOOZLIDOGBCYCA-NRFANRHFSA-N 1 0 357.498 2.186 50 0 FEAARO Cc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)c1 ZINC000092098097 542844815 /nfs/dbraw/zinc/84/48/15/542844815.db2.gz AEKAANJPBNABHT-UHFFFAOYSA-N 1 0 374.510 2.027 50 0 FEAARO Cc1cc(C(=O)N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c(C)o1 ZINC000095367969 542961384 /nfs/dbraw/zinc/96/13/84/542961384.db2.gz FXPFQJGRKXLFCQ-OAQYLSRUSA-N 1 0 373.497 2.445 50 0 FEAARO c1sc(-c2ncccn2)nc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000058023155 136130421 /nfs/dbraw/zinc/13/04/21/136130421.db2.gz AOQLWUOJKGKEOE-UHFFFAOYSA-N 1 0 353.455 2.149 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CN2C)c1ccco1 ZINC000058214500 136130987 /nfs/dbraw/zinc/13/09/87/136130987.db2.gz WJDVRQFUSFINQZ-KRWDZBQOSA-N 1 0 370.453 2.481 50 0 FEAARO COc1cccc(N2CCN(C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856866 136132951 /nfs/dbraw/zinc/13/29/51/136132951.db2.gz RIXSJANQEDGGNJ-NHCUHLMSSA-N 1 0 359.514 2.197 50 0 FEAARO CN(C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2C[NH+](C)C)C1 ZINC000095372208 542962717 /nfs/dbraw/zinc/96/27/17/542962717.db2.gz JOKSXWILCXJJJQ-SFHVURJKSA-N 1 0 360.502 2.100 50 0 FEAARO Cc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c2cccnc12 ZINC000065417191 136136321 /nfs/dbraw/zinc/13/63/21/136136321.db2.gz LFSKXZIBBIZDSB-UHFFFAOYSA-N 1 0 361.449 2.359 50 0 FEAARO Cc1cccnc1N1CCN(c2cc(C3CC[NH2+]CC3)nc(C)n2)CC1 ZINC000067789619 136137693 /nfs/dbraw/zinc/13/76/93/136137693.db2.gz IFACHXLUMVMAEV-UHFFFAOYSA-N 1 0 352.486 2.282 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)n(C)n1 ZINC000095371351 542963068 /nfs/dbraw/zinc/96/30/68/542963068.db2.gz UPEMLFMRODQWOX-ZDUSSCGKSA-N 1 0 370.501 2.136 50 0 FEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1C ZINC000071759449 136140504 /nfs/dbraw/zinc/14/05/04/136140504.db2.gz JAPVYLLLFVUZCN-INIZCTEOSA-N 1 0 357.502 2.053 50 0 FEAARO c1cn(CC2CCCN(c3nc(C4CC4)nc4c3CC[NH2+]CC4)C2)cn1 ZINC000072408294 136145229 /nfs/dbraw/zinc/14/52/29/136145229.db2.gz SPRWNMPYQNAABK-OAHLLOKOSA-N 1 0 352.486 2.155 50 0 FEAARO [NH3+]C1(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)CC1 ZINC000095356619 542958306 /nfs/dbraw/zinc/95/83/06/542958306.db2.gz ZWRFTACXQCRRMI-GOSISDBHSA-N 1 0 367.493 2.265 50 0 FEAARO CCn1nccc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095363780 542960857 /nfs/dbraw/zinc/96/08/57/542960857.db2.gz QAXTYDFZDUVSST-UHFFFAOYSA-N 1 0 358.490 2.071 50 0 FEAARO COCCc1noc([C@@H]2CCCN2C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000095382772 542965470 /nfs/dbraw/zinc/96/54/70/542965470.db2.gz ZBYPGRVPWXKYLD-HNNXBMFYSA-N 1 0 350.463 2.042 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CSc2ccncc2)C1 ZINC000095380274 542965562 /nfs/dbraw/zinc/96/55/62/542965562.db2.gz XSFOGKFVBKFBOK-MRXNPFEDSA-N 1 0 373.526 2.338 50 0 FEAARO CCn1nc(C)c(CCNC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1C ZINC000095388171 542967019 /nfs/dbraw/zinc/96/70/19/542967019.db2.gz RQRBAWMWKDOORW-KRWDZBQOSA-N 1 0 362.518 2.070 50 0 FEAARO CC1CCC2(CC1)OC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)O2 ZINC000095464542 542971856 /nfs/dbraw/zinc/97/18/56/542971856.db2.gz QDXGPVNIMLXARP-MHALHIKHSA-N 1 0 366.502 2.068 50 0 FEAARO c1ccc2c(c1)CC([N@H+]1C[C@@H]3CC[C@H](C1)N(Cc1nc4ncccn4n1)C3)C2 ZINC000095497238 542973651 /nfs/dbraw/zinc/97/36/51/542973651.db2.gz XGZNLJADFLJNPJ-QFBILLFUSA-N 1 0 374.492 2.188 50 0 FEAARO COCCN(C)CC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095502547 542975384 /nfs/dbraw/zinc/97/53/84/542975384.db2.gz NTOLIRGZYJQKEG-IBGZPJMESA-N 1 0 359.514 2.045 50 0 FEAARO O=C(N1CCN(Cc2ccccc2)C[C@H](O)C1)C1([NH+]2CCCC2)CCCC1 ZINC000095505577 542976524 /nfs/dbraw/zinc/97/65/24/542976524.db2.gz ACIWZKLYWGZLOH-FQEVSTJZSA-N 1 0 371.525 2.100 50 0 FEAARO COCCn1cc2c(n1)[C@H](NC(=O)C1CC[NH+](CC(C)C)CC1)CCC2 ZINC000096002924 542986597 /nfs/dbraw/zinc/98/65/97/542986597.db2.gz DAJKBCRIOBORSJ-GOSISDBHSA-N 1 0 362.518 2.391 50 0 FEAARO CC(C)[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095518442 542979200 /nfs/dbraw/zinc/97/92/00/542979200.db2.gz MRWDZURBQOPUGA-DLBZAZTESA-N 1 0 365.499 2.285 50 0 FEAARO CCN(CC)C(=O)CN1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095525983 542980746 /nfs/dbraw/zinc/98/07/46/542980746.db2.gz MULMWVXBGLXVNR-FXAWDEMLSA-N 1 0 355.526 2.418 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccncc2)CC1 ZINC000096148155 542993634 /nfs/dbraw/zinc/99/36/34/542993634.db2.gz IUUACIFXEGJLQM-LJQANCHMSA-N 1 0 361.486 2.061 50 0 FEAARO c1cn(CCC[NH2+]C2CCN(c3nnc(-c4ccccc4)s3)CC2)nn1 ZINC000096138436 542993795 /nfs/dbraw/zinc/99/37/95/542993795.db2.gz HOFJZGZFHFFDOW-UHFFFAOYSA-N 1 0 369.498 2.445 50 0 FEAARO COCCN(Cc1c(C)nn(C)c1C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000426533919 263622908 /nfs/dbraw/zinc/62/29/08/263622908.db2.gz XWBAWJPKEIRADU-UHFFFAOYSA-N 1 0 365.522 2.068 50 0 FEAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@@H]1CCO ZINC000019835811 519653859 /nfs/dbraw/zinc/65/38/59/519653859.db2.gz CKWWAJQMLOGOJP-FQEVSTJZSA-N 1 0 374.529 2.131 50 0 FEAARO CC(C)c1csc(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)n1 ZINC000244707854 519852981 /nfs/dbraw/zinc/85/29/81/519852981.db2.gz KITJAMKMYMDNBS-BETUJISGSA-N 1 0 362.503 2.273 50 0 FEAARO CC[C@@H](C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1)[NH+](C)C ZINC000084718713 521813037 /nfs/dbraw/zinc/81/30/37/521813037.db2.gz GDNNTVSBBRRABV-SFHVURJKSA-N 1 0 363.477 2.329 50 0 FEAARO CN(CC[NH+]1CCCC1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091625195 522827655 /nfs/dbraw/zinc/82/76/55/522827655.db2.gz MPMIUJMVPCLKMH-UHFFFAOYSA-N 1 0 373.409 2.150 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc(C)c(C)s2)C1 ZINC000091586467 523621246 /nfs/dbraw/zinc/62/12/46/523621246.db2.gz NGGJPYKAYXJHGL-CVEARBPZSA-N 1 0 354.516 2.014 50 0 FEAARO CCc1cc(C(=O)N[C@H]2C[N@H+](CCCSC)C[C@@H]2C2CC2)n(C)n1 ZINC000091650235 523774836 /nfs/dbraw/zinc/77/48/36/523774836.db2.gz DVGFCCBNYAEJMN-CVEARBPZSA-N 1 0 350.532 2.176 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)Cn3c(C)nc4ccccc43)C[C@@H]2[NH3+])c1 ZINC000091587344 524179423 /nfs/dbraw/zinc/17/94/23/524179423.db2.gz NAVGINYCJAADHD-MSOLQXFVSA-N 1 0 364.449 2.307 50 0 FEAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000242178830 524577300 /nfs/dbraw/zinc/57/73/00/524577300.db2.gz XBEQUFKYYKIRPM-LMMKCTJWSA-N 1 0 372.513 2.396 50 0 FEAARO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)C[C@@H](C)O1 ZINC000084706150 524967218 /nfs/dbraw/zinc/96/72/18/524967218.db2.gz NXRKTRXVHNBHFY-FPAYPSAMSA-N 1 0 366.477 2.139 50 0 FEAARO Cc1ccccc1N1CC[NH+](CCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 ZINC000000633304 525222994 /nfs/dbraw/zinc/22/29/94/525222994.db2.gz UAFQQJVDGPMBPO-IBGZPJMESA-N 1 0 370.497 2.324 50 0 FEAARO Cc1ccccc1Oc1ncccc1CNC(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000020270910 525326559 /nfs/dbraw/zinc/32/65/59/525326559.db2.gz OCZGWIUZBPYBCQ-SFHVURJKSA-N 1 0 368.481 2.434 50 0 FEAARO COc1ccc([C@H](CNC(=O)CCc2nc3cccnc3[nH]2)[NH+](C)C)cc1 ZINC000079477737 525354280 /nfs/dbraw/zinc/35/42/80/525354280.db2.gz PXDPLMPTZICCFR-KRWDZBQOSA-N 1 0 367.453 2.318 50 0 FEAARO CSCCC[NH2+][C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000020862019 525484640 /nfs/dbraw/zinc/48/46/40/525484640.db2.gz IIXBYMXXRDHBQC-INIZCTEOSA-N 1 0 350.532 2.405 50 0 FEAARO Cc1cc2c(cc1C[NH+]1CCC(Cn3cc([C@@H](C)O)nn3)CC1)OCO2 ZINC000020866342 525605369 /nfs/dbraw/zinc/60/53/69/525605369.db2.gz OFVLLDYOEXACCU-CQSZACIVSA-N 1 0 358.442 2.281 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)CN1CCc1c[nH]cn1 ZINC000082120373 526994003 /nfs/dbraw/zinc/99/40/03/526994003.db2.gz DIVQVTRKPPGBMJ-HXUWFJFHSA-N 1 0 353.470 2.252 50 0 FEAARO Cc1nc([C@H]2CCCN(C(=O)CC[NH+]3CCCCCCC3)C2)cc(=O)[nH]1 ZINC000091519223 527075225 /nfs/dbraw/zinc/07/52/25/527075225.db2.gz OAICFAYZIKVYEQ-KRWDZBQOSA-N 1 0 360.502 2.441 50 0 FEAARO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccccc3OCCO)C2)N1CC1CCC1 ZINC000091518744 527117567 /nfs/dbraw/zinc/11/75/67/527117567.db2.gz ANYUIXQINLPQFC-RBUKOAKNSA-N 1 0 358.482 2.281 50 0 FEAARO O=S1(=O)CC[C@H](Cn2cc(-c3cc(C[NH+]4CCCC4)cs3)nn2)C1 ZINC000091536488 527312299 /nfs/dbraw/zinc/31/22/99/527312299.db2.gz HFHAIQKFAFPFQX-CYBMUJFWSA-N 1 0 366.512 2.037 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000299739167 527366661 /nfs/dbraw/zinc/36/66/61/527366661.db2.gz LIJHREQPZWMHCS-UPJWGTAASA-N 1 0 352.276 2.271 50 0 FEAARO Cc1nn(C)cc1C[NH+]1CCC2(CCC(=O)N([C@H]3CC[C@H](O)CC3)C2)CC1 ZINC000244734769 527692590 /nfs/dbraw/zinc/69/25/90/527692590.db2.gz NLOFIWHWZAOJKA-WGSAOQKQSA-N 1 0 374.529 2.237 50 0 FEAARO CC(C)N(C)c1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cn1 ZINC000242263299 535029252 /nfs/dbraw/zinc/02/92/52/535029252.db2.gz XXTHRTFFWWVYLE-UHFFFAOYSA-N 1 0 355.486 2.448 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000095355703 535936969 /nfs/dbraw/zinc/93/69/69/535936969.db2.gz AYZUDRAJVIDKTI-QGZVFWFLSA-N 1 0 369.517 2.219 50 0 FEAARO CN1CC[NH+]([C@H]2CCN(c3ncc(Cl)cc3F)C[C@H]2CCCO)CC1 ZINC000091950607 536417360 /nfs/dbraw/zinc/41/73/60/536417360.db2.gz FWNNRBALPOQTAK-PBHICJAKSA-N 1 0 370.900 2.089 50 0 FEAARO COC[C@@H](C)CS(=O)(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000170598342 546163754 /nfs/dbraw/zinc/16/37/54/546163754.db2.gz REOMVZZPJBQAPX-OAHLLOKOSA-N 1 0 354.516 2.161 50 0 FEAARO O=C(Nc1cccc(OCCF)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178033038 546726630 /nfs/dbraw/zinc/72/66/30/546726630.db2.gz NCMAHDRWBVORJN-OAHLLOKOSA-N 1 0 351.422 2.221 50 0 FEAARO C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC[NH2+]1 ZINC000188429024 548278875 /nfs/dbraw/zinc/27/88/75/548278875.db2.gz JNAIKWHMOJEVRQ-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO C[C@@H]1CN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC[NH2+]1 ZINC000188414524 548279574 /nfs/dbraw/zinc/27/95/74/548279574.db2.gz ZVOADRYMPFZFJY-LLVKDONJSA-N 1 0 355.360 2.266 50 0 FEAARO CS(=O)(=O)c1ccc(CN2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000215884754 548674668 /nfs/dbraw/zinc/67/46/68/548674668.db2.gz BEOOSECDHZYLEM-LJQANCHMSA-N 1 0 360.479 2.431 50 0 FEAARO OCc1cc2n(n1)CCN(Cc1cnc3c(-c4ccccc4)cnn3c1)C2 ZINC000221206923 548703563 /nfs/dbraw/zinc/70/35/63/548703563.db2.gz OFCOQFQFABEGAR-UHFFFAOYSA-N 1 0 360.421 2.101 50 0 FEAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)n1 ZINC000222549931 548708758 /nfs/dbraw/zinc/70/87/58/548708758.db2.gz LTUSDCMNGLVLHQ-UHFFFAOYSA-N 1 0 358.490 2.485 50 0 FEAARO COc1ccc2[nH]c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+]3CCCC3)cc2c1 ZINC000222758435 548711818 /nfs/dbraw/zinc/71/18/18/548711818.db2.gz HPSMXSFJAQWEDQ-ZWQIFLOQSA-N 1 0 355.438 2.158 50 0 FEAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCC[N@H+](CCCc1ccco1)C2 ZINC000223514017 548721005 /nfs/dbraw/zinc/72/10/05/548721005.db2.gz QEGJHIGQLGSQRY-IBGZPJMESA-N 1 0 355.442 2.130 50 0 FEAARO CCCCN1C(=O)CC[C@@H](C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1OC ZINC000236773121 548779378 /nfs/dbraw/zinc/77/93/78/548779378.db2.gz PXQMGKOKQVGYIL-XLIONFOSSA-N 1 0 373.497 2.207 50 0 FEAARO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000244718665 548892258 /nfs/dbraw/zinc/89/22/58/548892258.db2.gz LOTOWQQYBLGLMH-AWEZNQCLSA-N 1 0 350.426 2.003 50 0 FEAARO COCCn1c(CNC2(c3ccccc3C)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244763886 548894629 /nfs/dbraw/zinc/89/46/29/548894629.db2.gz OXCQCGSTIFQHIG-WKILWMFISA-N 1 0 355.486 2.217 50 0 FEAARO Cc1cc(N)n(CC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000244893033 548898027 /nfs/dbraw/zinc/89/80/27/548898027.db2.gz YUBBIOAYIGGBAL-MRXNPFEDSA-N 1 0 361.877 2.380 50 0 FEAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NCCc1ccc(OC)cc1 ZINC000247817390 549383944 /nfs/dbraw/zinc/38/39/44/549383944.db2.gz GPAFMBNSVUMKLE-UHOSZYNNSA-N 1 0 374.481 2.160 50 0 FEAARO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(OCC(C)C)c1 ZINC000252480148 549666595 /nfs/dbraw/zinc/66/65/95/549666595.db2.gz BWUMKQJZSSQVNU-MRXNPFEDSA-N 1 0 364.486 2.307 50 0 FEAARO Cc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000252500552 549669884 /nfs/dbraw/zinc/66/98/84/549669884.db2.gz SXOIDFIPGZNMBO-OAQYLSRUSA-N 1 0 371.481 2.097 50 0 FEAARO Cc1ccn2ncc(C(=O)NC[C@H]3CCC[N@@H+]3CCc3ccccc3)c2n1 ZINC000253393699 549685468 /nfs/dbraw/zinc/68/54/68/549685468.db2.gz AXQYWFKQZVPEBO-GOSISDBHSA-N 1 0 363.465 2.475 50 0 FEAARO CC(C)[C@@H](C)NC(=O)c1nn(CCOc2ccccc2)c2c1C[NH2+]CC2 ZINC000257183791 549713422 /nfs/dbraw/zinc/71/34/22/549713422.db2.gz HYXIHSIJKLPYOG-OAHLLOKOSA-N 1 0 356.470 2.382 50 0 FEAARO CC[NH+]1CCC2(C[C@@H](c3nnc(C)o3)N(C(=O)c3cccnc3)C2)CC1 ZINC000257194519 549715532 /nfs/dbraw/zinc/71/55/32/549715532.db2.gz UFNWCBWGEUUTCO-INIZCTEOSA-N 1 0 355.442 2.462 50 0 FEAARO [NH3+][C@@H]1CN(C(=O)c2cccc(N3CCCNC3=O)c2)C[C@H]1c1ccccc1 ZINC000262301159 549808100 /nfs/dbraw/zinc/80/81/00/549808100.db2.gz XNPUYTYLCGGYCW-RBUKOAKNSA-N 1 0 364.449 2.173 50 0 FEAARO C[NH+]1CCC(CC(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC1 ZINC000291834864 552666480 /nfs/dbraw/zinc/66/64/80/552666480.db2.gz DXHLYMXDLOCNOG-UHFFFAOYSA-N 1 0 363.889 2.243 50 0 FEAARO Cc1nc2cc(CC(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2[nH]1 ZINC000299760137 553610939 /nfs/dbraw/zinc/61/09/39/553610939.db2.gz NUHBDXXMFLSQEM-UHFFFAOYSA-N 1 0 358.511 2.454 50 0 FEAARO O=C(c1ccc(-n2ccnc2)cc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299755683 553610950 /nfs/dbraw/zinc/61/09/50/553610950.db2.gz CTLXVYWBXVCYFN-LJQANCHMSA-N 1 0 354.454 2.199 50 0 FEAARO [NH3+]CC[C@@H]1CN(C(=O)Nc2ccc(OCCc3ccccn3)cc2)CCO1 ZINC000299761171 553611963 /nfs/dbraw/zinc/61/19/63/553611963.db2.gz SRWHLMUTYNOQOE-LJQANCHMSA-N 1 0 370.453 2.285 50 0 FEAARO O=C1C[C@@H](C[N@H+]2CCOc3ccc(CO)cc3C2)CN1c1ccccc1 ZINC000299769346 553612553 /nfs/dbraw/zinc/61/25/53/553612553.db2.gz PAEMYYJMZCFELC-KRWDZBQOSA-N 1 0 352.434 2.426 50 0 FEAARO O=C(NC[C@]1(O)CC[NH2+]C1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000299770142 553612570 /nfs/dbraw/zinc/61/25/70/553612570.db2.gz LXTOHZWJKVEEAI-FQEVSTJZSA-N 1 0 352.438 2.375 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)C1(Cn2ccnc2)CC1 ZINC000299769266 553612755 /nfs/dbraw/zinc/61/27/55/553612755.db2.gz VUVHGGRJYAIPNP-UHFFFAOYSA-N 1 0 354.454 2.150 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(C(=O)CCCOc1ccccc1)CC2 ZINC000299768167 553612819 /nfs/dbraw/zinc/61/28/19/553612819.db2.gz GSHLXZPQGQORRA-UHFFFAOYSA-N 1 0 359.514 2.474 50 0 FEAARO c1nnn2c1CO[C@H]1CC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C[C@@H]12 ZINC000299776351 553614035 /nfs/dbraw/zinc/61/40/35/553614035.db2.gz JYWZMWPMTWDJMC-ROUUACIJSA-N 1 0 354.458 2.462 50 0 FEAARO O=C(NCc1ccccc1-n1cccn1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000299788495 553614659 /nfs/dbraw/zinc/61/46/59/553614659.db2.gz UCTNHHVSDPCYDQ-SFHVURJKSA-N 1 0 368.481 2.380 50 0 FEAARO Cc1cc(C(N)=O)ccc1NC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000299790695 553615133 /nfs/dbraw/zinc/61/51/33/553615133.db2.gz CHYICEMTTPCJQE-GASCZTMLSA-N 1 0 374.485 2.199 50 0 FEAARO O=C(NCc1ccc(-c2ncon2)cc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000299803136 553616630 /nfs/dbraw/zinc/61/66/30/553616630.db2.gz XWQXOFYHDDIYLT-KRWDZBQOSA-N 1 0 370.453 2.244 50 0 FEAARO CCc1noc(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)n1 ZINC000426486535 559735596 /nfs/dbraw/zinc/73/55/96/559735596.db2.gz WLKHTMGHZRZOQG-KRWDZBQOSA-N 1 0 369.469 2.017 50 0 FEAARO Cc1nc(CCNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)sc1Cl ZINC000426489625 559735643 /nfs/dbraw/zinc/73/56/43/559735643.db2.gz KJZAXCVQHFXLIG-LBPRGKRZSA-N 1 0 367.906 2.127 50 0 FEAARO CCc1oc(C(=O)N2CCN(c3cnccn3)CC2)cc1C[NH+]1CCCC1 ZINC000426490233 559735808 /nfs/dbraw/zinc/73/58/08/559735808.db2.gz MKYQCDGBGJSZFJ-UHFFFAOYSA-N 1 0 369.469 2.190 50 0 FEAARO COc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)c2)cn1 ZINC000426510455 559736466 /nfs/dbraw/zinc/73/64/66/559736466.db2.gz VILVZVKQPNCOOK-IBGZPJMESA-N 1 0 369.465 2.334 50 0 FEAARO COc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3C)C2)cc1OCC[NH3+] ZINC000426526525 559736859 /nfs/dbraw/zinc/73/68/59/559736859.db2.gz WOEUMMBCWGQFKF-NRFANRHFSA-N 1 0 370.449 2.075 50 0 FEAARO Cn1c(Sc2cc(N3CCCCC3)ncn2)nnc1C1CC[NH2+]CC1 ZINC000426530396 559736968 /nfs/dbraw/zinc/73/69/68/559736968.db2.gz JUXBWLMTASPTEY-UHFFFAOYSA-N 1 0 359.503 2.214 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cc(Cn4cncn4)c(C)cc3C)[C@H]1C[C@H](O)CC2 ZINC000426531804 559737091 /nfs/dbraw/zinc/73/70/91/559737091.db2.gz QOMSKYAJDNEQDI-QHAWAJNXSA-N 1 0 370.497 2.448 50 0 FEAARO COc1ccccc1C1CCN(C(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC000426550651 559737583 /nfs/dbraw/zinc/73/75/83/559737583.db2.gz PYMQMRBHXMJFPZ-GOSISDBHSA-N 1 0 359.514 2.427 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3c[nH]c(=O)[nH]c3=O)cc2)C1 ZINC000426549920 559737630 /nfs/dbraw/zinc/73/76/30/559737630.db2.gz KYNBSEILXBQQEO-CYBMUJFWSA-N 1 0 368.437 2.254 50 0 FEAARO NC(=O)c1cncc(N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)n1 ZINC000426555344 559737742 /nfs/dbraw/zinc/73/77/42/559737742.db2.gz AQCJGNLLKIUGRF-HXUWFJFHSA-N 1 0 357.502 2.448 50 0 FEAARO Cc1n[nH]c(C)c1CCNC(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000426668251 559740031 /nfs/dbraw/zinc/74/00/31/559740031.db2.gz GEEFYECDEJOGAO-UHFFFAOYSA-N 1 0 356.474 2.113 50 0 FEAARO COCCN(Cc1nccs1)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000426701500 559740591 /nfs/dbraw/zinc/74/05/91/559740591.db2.gz WFLRYYLXVPJSRD-UHFFFAOYSA-N 1 0 354.520 2.422 50 0 FEAARO C[C@@H](CNC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1)n1ccnc1 ZINC000534580425 562537188 /nfs/dbraw/zinc/53/71/88/562537188.db2.gz DGRJCEMCYMVZRO-KRWDZBQOSA-N 1 0 367.497 2.329 50 0 FEAARO C[NH+]1CCN([C@H]2CCN(C(=O)NC(C)(C)Cc3ccc(F)cc3)C2)CC1 ZINC000534583240 562537425 /nfs/dbraw/zinc/53/74/25/562537425.db2.gz JUAAYOFOVMMZIG-SFHVURJKSA-N 1 0 362.493 2.178 50 0 FEAARO Cc1nnc([C@H]2CCCN(C(=O)NC3CC[NH+](Cc4ccco4)CC3)C2)[nH]1 ZINC000534631678 562538663 /nfs/dbraw/zinc/53/86/63/562538663.db2.gz ALOJVDSQULTCMG-HNNXBMFYSA-N 1 0 372.473 2.260 50 0 FEAARO Cc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)n1 ZINC000534640391 562538942 /nfs/dbraw/zinc/53/89/42/562538942.db2.gz UXLMVSKGVQKBLO-QGZVFWFLSA-N 1 0 359.518 2.263 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC2(COC(=O)O2)CC1 ZINC000534652470 562539343 /nfs/dbraw/zinc/53/93/43/562539343.db2.gz NKCCPFJYIWHVBH-KRWDZBQOSA-N 1 0 373.453 2.362 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCC2(COC(=O)O2)CC1)c1ccco1 ZINC000534672399 562539920 /nfs/dbraw/zinc/53/99/20/562539920.db2.gz NALVHOLIJDKCMR-AWEZNQCLSA-N 1 0 365.430 2.374 50 0 FEAARO C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000047262129 570884408 /nfs/dbraw/zinc/88/44/08/570884408.db2.gz CSIGBVXERKSSJS-NEPJUHHUSA-N 1 0 350.850 2.053 50 0 FEAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1cccnc1-n1cccn1 ZINC000047542481 570891645 /nfs/dbraw/zinc/89/16/45/570891645.db2.gz XXSYFCKVRDWSMV-UHFFFAOYSA-N 1 0 365.441 2.258 50 0 FEAARO C[N@@H+]1CC[C@@H](NC(=O)CCNC(=O)c2ccsc2)[C@H]1c1ccccc1 ZINC000107540621 570897337 /nfs/dbraw/zinc/89/73/37/570897337.db2.gz QJWOLSJWGCHULC-SJLPKXTDSA-N 1 0 357.479 2.430 50 0 FEAARO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1-n1cnnn1 ZINC000048251815 570940079 /nfs/dbraw/zinc/94/00/79/570940079.db2.gz SFKCLHWDDITDQE-HNNXBMFYSA-N 1 0 371.470 2.457 50 0 FEAARO CCn1nnc2cc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)ccc21 ZINC000048368016 570952840 /nfs/dbraw/zinc/95/28/40/570952840.db2.gz HPFGOHLJTUQNMC-UHFFFAOYSA-N 1 0 364.453 2.241 50 0 FEAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000575605352 571163382 /nfs/dbraw/zinc/16/33/82/571163382.db2.gz DKLAORYAJOMZDS-HNNXBMFYSA-N 1 0 372.918 2.428 50 0 FEAARO CN(Cc1cnn(C)c1)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426382615 571217475 /nfs/dbraw/zinc/21/74/75/571217475.db2.gz GYDYPXMTPKEQDL-UHFFFAOYSA-N 1 0 355.486 2.441 50 0 FEAARO O=C(NCc1ccccn1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426394734 571219120 /nfs/dbraw/zinc/21/91/20/571219120.db2.gz SJFJSQFQIVQQAY-UHFFFAOYSA-N 1 0 350.466 2.466 50 0 FEAARO O=S(=O)(NCCC[N@H+]1CCC[C@@H](CO)C1)c1cc2ccccc2s1 ZINC000670434680 571346449 /nfs/dbraw/zinc/34/64/49/571346449.db2.gz OYPORHCAFBMVRT-CQSZACIVSA-N 1 0 368.524 2.274 50 0 FEAARO C[NH+](C)CCOc1ccc(CN2CCNC(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000670447577 571351251 /nfs/dbraw/zinc/35/12/51/571351251.db2.gz SUOBDHBWRJCSFI-HXUWFJFHSA-N 1 0 371.456 2.439 50 0 FEAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[NH2+]C[C@H]2CCCO2)c1=O ZINC000012510381 670002659 /nfs/dbraw/zinc/00/26/59/670002659.db2.gz ZBIAOYBTZZEOBP-OAHLLOKOSA-N 1 0 364.829 2.097 50 0 FEAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000952973238 681793574 /nfs/dbraw/zinc/79/35/74/681793574.db2.gz GHUDPZFCHLHGIQ-CQSZACIVSA-N 1 0 368.524 2.490 50 0 FEAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)c2ccc(C(C)C)cc2)C1 ZINC000952983006 681795277 /nfs/dbraw/zinc/79/52/77/681795277.db2.gz UELUBQDNTJWPJA-MRXNPFEDSA-N 1 0 354.516 2.399 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000000630722 539331711 /nfs/dbraw/zinc/33/17/11/539331711.db2.gz DCAHCXBEGOWHAX-INIZCTEOSA-N 1 0 354.406 2.168 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000000895237 539334924 /nfs/dbraw/zinc/33/49/24/539334924.db2.gz MSKVNYIGOHPCBS-AWEZNQCLSA-N 1 0 364.442 2.308 50 0 FEAARO O=S(=O)(c1ccccc1)N(C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000000895831 539335177 /nfs/dbraw/zinc/33/51/77/539335177.db2.gz LKGJLRYIXVELFX-SFHVURJKSA-N 1 0 360.479 2.339 50 0 FEAARO O[C@H]1CCCN(c2ncccc2C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000011662376 539531874 /nfs/dbraw/zinc/53/18/74/539531874.db2.gz QCXKVBHXCLJSNE-KRWDZBQOSA-N 1 0 355.438 2.104 50 0 FEAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cc[n+]([O-])cc2)C1 ZINC000011843114 539535702 /nfs/dbraw/zinc/53/57/02/539535702.db2.gz UAUVZGWRDMVSPZ-IBGZPJMESA-N 1 0 353.466 2.347 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCSc2nncn2C)c(OC)c1 ZINC000011935475 539539946 /nfs/dbraw/zinc/53/99/46/539539946.db2.gz IWTOYFVFQOGLGE-UHFFFAOYSA-N 1 0 374.470 2.104 50 0 FEAARO CCn1cc(CNCc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000012112080 539543945 /nfs/dbraw/zinc/54/39/45/539543945.db2.gz GQLFNXNREGHCKB-FQEVSTJZSA-N 1 0 372.513 2.418 50 0 FEAARO CC1=C(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)OCCO1 ZINC000012297920 539552916 /nfs/dbraw/zinc/55/29/16/539552916.db2.gz BVDBYWROCIVXKZ-LJQANCHMSA-N 1 0 371.481 2.420 50 0 FEAARO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)n[nH]2)c1 ZINC000012317274 539554352 /nfs/dbraw/zinc/55/43/52/539554352.db2.gz FIAYORSPMZXISN-QGZVFWFLSA-N 1 0 368.437 2.112 50 0 FEAARO Cc1ccc(CCC2CC[NH+](CC(=O)N(C)CC(=O)NC3CC3)CC2)cc1 ZINC000012332493 539555375 /nfs/dbraw/zinc/55/53/75/539555375.db2.gz NZLRAHXLTSCQPA-UHFFFAOYSA-N 1 0 371.525 2.377 50 0 FEAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)n1C ZINC000012444464 539560191 /nfs/dbraw/zinc/56/01/91/539560191.db2.gz PNLGHZPIXQWZBQ-FQEVSTJZSA-N 1 0 353.470 2.138 50 0 FEAARO Cc1cccc(CN2CCC[C@](O)(C[N@H+](C)Cc3cccnc3)C2=O)c1 ZINC000012448963 539561523 /nfs/dbraw/zinc/56/15/23/539561523.db2.gz SJHWSUSXZGTZNV-NRFANRHFSA-N 1 0 353.466 2.376 50 0 FEAARO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000012703619 539571368 /nfs/dbraw/zinc/57/13/68/539571368.db2.gz UBUVIHIMBZTRAJ-GOSISDBHSA-N 1 0 367.559 2.340 50 0 FEAARO O=C(C[C@@H]1Oc2ccccc2NC1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012974479 539580635 /nfs/dbraw/zinc/58/06/35/539580635.db2.gz WCWCOAFGXMEQGC-YJBOKZPZSA-N 1 0 369.421 2.323 50 0 FEAARO Cn1c2cn(CCC[NH+](C)C)c(-c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000013536139 539587639 /nfs/dbraw/zinc/58/76/39/539587639.db2.gz UEMXAXOKQGUIDX-UHFFFAOYSA-N 1 0 374.872 2.311 50 0 FEAARO CC(C)C[NH2+][C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014733563 539604898 /nfs/dbraw/zinc/60/48/98/539604898.db2.gz ORKIJPIBOMXOBP-QGZVFWFLSA-N 1 0 354.498 2.496 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N(C)[C@@H]3CC[N@H+](C)C3)nc2)n1 ZINC000015063862 539610409 /nfs/dbraw/zinc/61/04/09/539610409.db2.gz NNIHFMRBTUMWQQ-OAHLLOKOSA-N 1 0 359.499 2.171 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CCOCC3)nc2)C1 ZINC000015063494 539610896 /nfs/dbraw/zinc/61/08/96/539610896.db2.gz HVKYYNSAYSHNAN-MRXNPFEDSA-N 1 0 360.502 2.380 50 0 FEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C(N)=O)c3)c(C)c2)CC1 ZINC000023082946 539705879 /nfs/dbraw/zinc/70/58/79/539705879.db2.gz MARWOFZZKMESIC-UHFFFAOYSA-N 1 0 366.465 2.488 50 0 FEAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000023127363 539706384 /nfs/dbraw/zinc/70/63/84/539706384.db2.gz VWOSSOINXNBYBL-UHFFFAOYSA-N 1 0 361.486 2.025 50 0 FEAARO COC(=O)c1sccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000024828398 539742271 /nfs/dbraw/zinc/74/22/71/539742271.db2.gz NSWIUNBHXORMDF-UHFFFAOYSA-N 1 0 360.501 2.078 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(Cc2ccccc2)C2CC2)C1 ZINC000025220504 539750967 /nfs/dbraw/zinc/75/09/67/539750967.db2.gz DXEGBYAFQMLDCT-FQEVSTJZSA-N 1 0 359.514 2.124 50 0 FEAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000025304721 539755115 /nfs/dbraw/zinc/75/51/15/539755115.db2.gz MKFLOLLUYACQHH-IBGZPJMESA-N 1 0 372.465 2.186 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccsc1 ZINC000025331944 539755983 /nfs/dbraw/zinc/75/59/83/539755983.db2.gz NIOUIRYJIPDYLL-QGZVFWFLSA-N 1 0 355.467 2.421 50 0 FEAARO C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1=O ZINC000025331729 539756418 /nfs/dbraw/zinc/75/64/18/539756418.db2.gz HNQCHDPVVMODHL-XJKSGUPXSA-N 1 0 373.478 2.281 50 0 FEAARO C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029835934 539866304 /nfs/dbraw/zinc/86/63/04/539866304.db2.gz HJLFUWASFISRHP-RDTXWAMCSA-N 1 0 357.429 2.363 50 0 FEAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CC[NH+](C)CC3)no2)cc1C ZINC000032594165 539944387 /nfs/dbraw/zinc/94/43/87/539944387.db2.gz RXNOTEPQXZMSEW-MRXNPFEDSA-N 1 0 356.470 2.324 50 0 FEAARO O=C(CNC(=O)c1cccc(Cl)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032732056 539949897 /nfs/dbraw/zinc/94/98/97/539949897.db2.gz YTMBOOYJFKAMDL-SFHVURJKSA-N 1 0 371.868 2.461 50 0 FEAARO COc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000032929494 539960281 /nfs/dbraw/zinc/96/02/81/539960281.db2.gz SCLJCTSSJOUUSW-ZDUSSCGKSA-N 1 0 356.488 2.022 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2nnc(C)s2)c1 ZINC000033022541 539963728 /nfs/dbraw/zinc/96/37/28/539963728.db2.gz GSOUMHMBNIVHSH-UHFFFAOYSA-N 1 0 361.471 2.170 50 0 FEAARO COc1ccc(CNC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)cc1 ZINC000033069148 539966389 /nfs/dbraw/zinc/96/63/89/539966389.db2.gz JIPSLBRIVAYLOD-UHFFFAOYSA-N 1 0 356.426 2.046 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 ZINC000045496034 540215570 /nfs/dbraw/zinc/21/55/70/540215570.db2.gz JDYBXYFHBPFJNH-ZBFHGGJFSA-N 1 0 361.467 2.109 50 0 FEAARO O=C(NCCc1ccc(C(F)(F)F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000049172631 540383540 /nfs/dbraw/zinc/38/35/40/540383540.db2.gz UKBWSSQVIBIADE-INIZCTEOSA-N 1 0 373.419 2.394 50 0 FEAARO Cc1oc2c(c1C(=O)N1CCC[C@@H](N(C)CC[NH+](C)C)C1)C(=O)CCC2 ZINC000072121750 541784524 /nfs/dbraw/zinc/78/45/24/541784524.db2.gz TVFZEPQLMHUJDC-OAHLLOKOSA-N 1 0 361.486 2.205 50 0 FEAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CSc2nc[nH]n2)C1 ZINC000072135426 541786351 /nfs/dbraw/zinc/78/63/51/541786351.db2.gz WLLYRJHSYNIREC-MRXNPFEDSA-N 1 0 359.499 2.062 50 0 FEAARO Cc1ncc(C(=O)N2CC[C@H]3[NH2+]CCC[C@]3(CO)C2)c(-c2ccccc2)n1 ZINC000072144398 541786986 /nfs/dbraw/zinc/78/69/86/541786986.db2.gz VVNBZAZXECKMBY-WIYYLYMNSA-N 1 0 366.465 2.029 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)cc1Cl ZINC000072152027 541789705 /nfs/dbraw/zinc/78/97/05/541789705.db2.gz DODHMQDEPXYVBT-INIZCTEOSA-N 1 0 360.907 2.116 50 0 FEAARO COc1ccccc1[C@H]1CN(C(=O)c2ccn(C)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072154502 541790626 /nfs/dbraw/zinc/79/06/26/541790626.db2.gz MCEGFTZNMGTUCW-NSISKUIASA-N 1 0 366.465 2.131 50 0 FEAARO Cn1ncc2c1nc(CCc1ccccc1)nc2N1CC[C@@H]([NH+](C)C)C1 ZINC000072162237 541792099 /nfs/dbraw/zinc/79/20/99/541792099.db2.gz PHHDALJSDMHYRN-MRXNPFEDSA-N 1 0 350.470 2.289 50 0 FEAARO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)NCCCCc1ccccc1 ZINC000072162842 541792352 /nfs/dbraw/zinc/79/23/52/541792352.db2.gz HWESQEKMORWRMG-LJQANCHMSA-N 1 0 357.498 2.259 50 0 FEAARO Cn1cc(S(=O)(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000072164365 541792949 /nfs/dbraw/zinc/79/29/49/541792949.db2.gz SCMRTUQPZXOVSW-SFHVURJKSA-N 1 0 362.499 2.398 50 0 FEAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072427913 541811204 /nfs/dbraw/zinc/81/12/04/541811204.db2.gz XZGBMKIQQUBWIX-NRFANRHFSA-N 1 0 372.513 2.153 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 ZINC000072411309 541807461 /nfs/dbraw/zinc/80/74/61/541807461.db2.gz QYFWJJDRGXYQHW-QGZVFWFLSA-N 1 0 359.518 2.433 50 0 FEAARO CCc1cc(N2CCCN(CCC[NH+]3CCCC3)CC2)n2nccc2n1 ZINC000072419487 541808428 /nfs/dbraw/zinc/80/84/28/541808428.db2.gz LLAQFKPKRZLQCR-UHFFFAOYSA-N 1 0 356.518 2.290 50 0 FEAARO CCN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072429484 541811854 /nfs/dbraw/zinc/81/18/54/541811854.db2.gz IZQSYJNCLSCLBF-NRFANRHFSA-N 1 0 357.498 2.370 50 0 FEAARO Cc1nnc(CCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)[nH]1 ZINC000072431031 541812344 /nfs/dbraw/zinc/81/23/44/541812344.db2.gz XADANSSOIPQAAN-UHFFFAOYSA-N 1 0 357.502 2.159 50 0 FEAARO COC(=O)CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072432963 541813658 /nfs/dbraw/zinc/81/36/58/541813658.db2.gz FTNSWQJSVGUASC-HXUWFJFHSA-N 1 0 359.470 2.239 50 0 FEAARO CN(Cc1ncc[nH]1)c1ncnc2c1CC[N@H+](Cc1cccs1)CC2 ZINC000072436386 541814333 /nfs/dbraw/zinc/81/43/33/541814333.db2.gz QDWXNZBGIJXQDA-UHFFFAOYSA-N 1 0 354.483 2.498 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072473681 541818916 /nfs/dbraw/zinc/81/89/16/541818916.db2.gz UPMKLUIEHUNIJL-NRFANRHFSA-N 1 0 372.513 2.155 50 0 FEAARO Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1O ZINC000072456672 541816625 /nfs/dbraw/zinc/81/66/25/541816625.db2.gz CKQNNAYHWGAJMS-NRFANRHFSA-N 1 0 373.497 2.107 50 0 FEAARO CCn1cc(CN(C)[C@H]2C[N@H+](C/C=C/c3ccc(OC)cc3)C[C@@H]2O)cn1 ZINC000072481586 541822506 /nfs/dbraw/zinc/82/25/06/541822506.db2.gz PYGGPYKINWGQEB-FBGCVXFKSA-N 1 0 370.497 2.102 50 0 FEAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)C1 ZINC000072476649 541819510 /nfs/dbraw/zinc/81/95/10/541819510.db2.gz ZHSPIFIOIUHBEY-SFHVURJKSA-N 1 0 358.482 2.104 50 0 FEAARO Cc1cc(C)n(CCCC(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)n1 ZINC000072476947 541819652 /nfs/dbraw/zinc/81/96/52/541819652.db2.gz BYESFCLAFUSVCV-GOSISDBHSA-N 1 0 362.518 2.239 50 0 FEAARO Cn1nc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)c2ccccc2c1=O ZINC000002407084 204037701 /nfs/dbraw/zinc/03/77/01/204037701.db2.gz FJAAPRYJUDZBQS-UHFFFAOYSA-N 1 0 364.449 2.282 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccon1)c1cccc2ccccc21 ZINC000010333534 204010710 /nfs/dbraw/zinc/01/07/10/204010710.db2.gz KAKMOLRJGBKOSP-MRXNPFEDSA-N 1 0 352.394 2.185 50 0 FEAARO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000002629251 204047968 /nfs/dbraw/zinc/04/79/68/204047968.db2.gz KVZPZSCYPJCPEG-AEFFLSMTSA-N 1 0 357.406 2.059 50 0 FEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000003333705 204092827 /nfs/dbraw/zinc/09/28/27/204092827.db2.gz DXZKXXBUXPPNPV-KRWDZBQOSA-N 1 0 366.425 2.212 50 0 FEAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000005522156 204213076 /nfs/dbraw/zinc/21/30/76/204213076.db2.gz NPQOYUYOKARFRF-UHFFFAOYSA-N 1 0 365.499 2.286 50 0 FEAARO O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)[C@H]1C[NH2+]CCO1 ZINC000187282035 204332055 /nfs/dbraw/zinc/33/20/55/204332055.db2.gz PORUUEQYWWEWSI-GFCCVEGCSA-N 1 0 355.225 2.165 50 0 FEAARO CC(C)[N@H+](C)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000008600794 204336337 /nfs/dbraw/zinc/33/63/37/204336337.db2.gz BCBRCSLSQWUQBQ-UHFFFAOYSA-N 1 0 363.483 2.021 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000008755501 204343981 /nfs/dbraw/zinc/34/39/81/204343981.db2.gz AXLQJBUXJAMOFZ-NSHDSACASA-N 1 0 350.488 2.332 50 0 FEAARO O=C(CN(Cc1ccccc1Cl)C(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000033032449 204953965 /nfs/dbraw/zinc/95/39/65/204953965.db2.gz LOHLMOQCEXIJSC-UHFFFAOYSA-N 1 0 371.868 2.414 50 0 FEAARO COc1ccc(NC(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)cc1 ZINC000034912145 204985150 /nfs/dbraw/zinc/98/51/50/204985150.db2.gz XIMMCFOCOIDNSO-UHFFFAOYSA-N 1 0 359.470 2.357 50 0 FEAARO Cc1nc2nc3ccn(CCC[NH+](C)C)c(=O)c3c(-c3ccccc3)n2n1 ZINC000038828670 205043050 /nfs/dbraw/zinc/04/30/50/205043050.db2.gz JCYIMKLDRDAFGZ-UHFFFAOYSA-N 1 0 362.437 2.366 50 0 FEAARO O=C(Cn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039996877 205049189 /nfs/dbraw/zinc/04/91/89/205049189.db2.gz RWNYSXADTABQJT-UHFFFAOYSA-N 1 0 359.857 2.283 50 0 FEAARO COc1ccc(C[NH2+]CCCSc2nnnn2C)cc1Br ZINC000040744598 205080431 /nfs/dbraw/zinc/08/04/31/205080431.db2.gz WLLCDWMSJZWSJU-UHFFFAOYSA-N 1 0 372.292 2.253 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000043730615 205104247 /nfs/dbraw/zinc/10/42/47/205104247.db2.gz GFOJAQICYFSWDZ-LCONNIHZSA-N 1 0 369.465 2.252 50 0 FEAARO C[NH+](C)CCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045068 205130834 /nfs/dbraw/zinc/13/08/34/205130834.db2.gz XFKBNMCZYASYBD-IBGZPJMESA-N 1 0 367.493 2.299 50 0 FEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000085468231 205170937 /nfs/dbraw/zinc/17/09/37/205170937.db2.gz ZEZDOCFDBYMFPR-AWEZNQCLSA-N 1 0 351.441 2.453 50 0 FEAARO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000050994796 205179176 /nfs/dbraw/zinc/17/91/76/205179176.db2.gz WKSDGLVWKVCYPG-KRWDZBQOSA-N 1 0 357.498 2.420 50 0 FEAARO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055226519 205211271 /nfs/dbraw/zinc/21/12/71/205211271.db2.gz ZDDYYIHYNVNLBR-QGZVFWFLSA-N 1 0 369.465 2.040 50 0 FEAARO CCOC(=O)CNc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055283674 205213709 /nfs/dbraw/zinc/21/37/09/205213709.db2.gz DRQIKNAOGQTPCG-UHFFFAOYSA-N 1 0 359.470 2.362 50 0 FEAARO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)cc1OC ZINC000056181963 205228831 /nfs/dbraw/zinc/22/88/31/205228831.db2.gz DGSQEVWAADAFCI-STQMWFEESA-N 1 0 351.447 2.225 50 0 FEAARO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000057568176 205242431 /nfs/dbraw/zinc/24/24/31/205242431.db2.gz LIVCKKIFEKQNFL-GOSISDBHSA-N 1 0 366.469 2.093 50 0 FEAARO CCc1oc(C(=O)NCCc2cc(=O)[nH]c(C)n2)cc1C[NH+]1CCCC1 ZINC000055385002 205218407 /nfs/dbraw/zinc/21/84/07/205218407.db2.gz XXFVWJWEAZGYOS-UHFFFAOYSA-N 1 0 358.442 2.214 50 0 FEAARO C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000058210699 205261929 /nfs/dbraw/zinc/26/19/29/205261929.db2.gz QXBJAKQAYXHJHU-CALCHBBNSA-N 1 0 371.485 2.171 50 0 FEAARO CC1CC[NH+](CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 ZINC000058323928 205271235 /nfs/dbraw/zinc/27/12/35/205271235.db2.gz PUEHWSXTTWHFKK-UHFFFAOYSA-N 1 0 373.906 2.173 50 0 FEAARO Cc1[nH+]c(N(C)C)nc(N2CCN(Cc3cnn(C)c3C3CC3)CC2)c1C ZINC000065433992 205350893 /nfs/dbraw/zinc/35/08/93/205350893.db2.gz KDFFEHICZIDHHZ-UHFFFAOYSA-N 1 0 369.517 2.093 50 0 FEAARO CC[C@@H](Sc1nnc(CC2CC[NH2+]CC2)n1C)C(=O)NC1CCCC1 ZINC000065488095 205353896 /nfs/dbraw/zinc/35/38/96/205353896.db2.gz SEBLRBUBNSXOID-OAHLLOKOSA-N 1 0 365.547 2.287 50 0 FEAARO Cn1cc(C2=CC[N@H+](CCC(=O)N3CCc4ccccc4C3)CC2)cn1 ZINC000065526107 205357738 /nfs/dbraw/zinc/35/77/38/205357738.db2.gz MBOIJHGNMLARIV-UHFFFAOYSA-N 1 0 350.466 2.484 50 0 FEAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000065330695 205336387 /nfs/dbraw/zinc/33/63/87/205336387.db2.gz OCVCBWQFEDSHGA-HNNXBMFYSA-N 1 0 373.526 2.462 50 0 FEAARO CC(C)c1nc(CN(C)C(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)cs1 ZINC000065383717 205342627 /nfs/dbraw/zinc/34/26/27/205342627.db2.gz HWJAGPGCRIORAJ-ZDUSSCGKSA-N 1 0 362.503 2.130 50 0 FEAARO O=c1n(C[C@H]2CCCCO2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065384699 205342942 /nfs/dbraw/zinc/34/29/42/205342942.db2.gz ZITMAYMJIDPGBJ-GOSISDBHSA-N 1 0 356.470 2.145 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3cc4c(cc3C)OCO4)CC2)n[nH]c1=O ZINC000065393860 205344409 /nfs/dbraw/zinc/34/44/09/205344409.db2.gz XWLXJCOSGBAKFF-UHFFFAOYSA-N 1 0 358.442 2.083 50 0 FEAARO C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000066948609 205366557 /nfs/dbraw/zinc/36/65/57/205366557.db2.gz HXJPAUZEQJGWGK-RTBURBONSA-N 1 0 357.498 2.020 50 0 FEAARO O=C([C@H]1C[NH2+]CCO1)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067540254 205374281 /nfs/dbraw/zinc/37/42/81/205374281.db2.gz UWJRCUIKMAZJID-LJQANCHMSA-N 1 0 362.433 2.103 50 0 FEAARO CN1CCCNC(=O)C12CC[NH+](Cc1c[nH]nc1-c1cccc(F)c1)CC2 ZINC000067605744 205376097 /nfs/dbraw/zinc/37/60/97/205376097.db2.gz BTKUWPRWNFYKNG-UHFFFAOYSA-N 1 0 371.460 2.002 50 0 FEAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000067650190 205380673 /nfs/dbraw/zinc/38/06/73/205380673.db2.gz PHGLGLPTOMQMMJ-UHFFFAOYSA-N 1 0 360.506 2.376 50 0 FEAARO C=Cc1cccc(C[N@@H+]2CCN(C)C3(CCN(C(=O)CCOC)CC3)C2)c1 ZINC000067677745 205382498 /nfs/dbraw/zinc/38/24/98/205382498.db2.gz IBADDJJSTZFKAM-UHFFFAOYSA-N 1 0 371.525 2.475 50 0 FEAARO CC(=O)c1ccc(OCc2cc(C(=O)N3CC[NH2+]CC3(C)C)no2)cc1 ZINC000067688692 205383164 /nfs/dbraw/zinc/38/31/64/205383164.db2.gz SQYAJSWLWTWQSI-UHFFFAOYSA-N 1 0 357.410 2.280 50 0 FEAARO Cc1cnn(CCCn2nc(C3CC[NH2+]CC3)n(-c3ccccc3)c2=O)c1 ZINC000067689196 205384256 /nfs/dbraw/zinc/38/42/56/205384256.db2.gz HXEBVUJQQRPPAQ-UHFFFAOYSA-N 1 0 366.469 2.096 50 0 FEAARO CC(C)n1cncc1Cn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067714506 205385185 /nfs/dbraw/zinc/38/51/85/205385185.db2.gz NDELYLUDHWSMHV-INIZCTEOSA-N 1 0 366.469 2.327 50 0 FEAARO Cc1c2ccccc2oc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067712800 205385999 /nfs/dbraw/zinc/38/59/99/205385999.db2.gz IVPYVYYSJQLYCH-AWEZNQCLSA-N 1 0 353.426 2.262 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C)c(-n2cccc2)c1 ZINC000067775007 205390387 /nfs/dbraw/zinc/39/03/87/205390387.db2.gz CUFJALGTRJAUNQ-MJGOQNOKSA-N 1 0 368.481 2.196 50 0 FEAARO Cc1ccc(C2(O)CC[NH+](Cc3cc(=O)n4ccc(C)cc4n3)CC2)nc1 ZINC000067773114 205390569 /nfs/dbraw/zinc/39/05/69/205390569.db2.gz XJPGZXPMHOYDIZ-UHFFFAOYSA-N 1 0 364.449 2.190 50 0 FEAARO Cc1nc(C(C)C)sc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067818864 205394907 /nfs/dbraw/zinc/39/49/07/205394907.db2.gz NNYLHHYMYFNRRY-CYBMUJFWSA-N 1 0 362.503 2.096 50 0 FEAARO CC1(C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)CC[NH2+]CC1 ZINC000072167784 205493880 /nfs/dbraw/zinc/49/38/80/205493880.db2.gz QHUMYBYWRPSCHD-INIZCTEOSA-N 1 0 359.470 2.250 50 0 FEAARO O=C1C[C@@H](Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)CN1C1CCCC1 ZINC000072418445 205535555 /nfs/dbraw/zinc/53/55/55/205535555.db2.gz NWSMTIAHZAFZMB-HNNXBMFYSA-N 1 0 368.485 2.031 50 0 FEAARO Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1O ZINC000072456670 205554483 /nfs/dbraw/zinc/55/44/83/205554483.db2.gz CKQNNAYHWGAJMS-OAQYLSRUSA-N 1 0 373.497 2.107 50 0 FEAARO Cn1cc(CC(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)c2ccccc21 ZINC000077287329 205585960 /nfs/dbraw/zinc/58/59/60/205585960.db2.gz FAPJEEGRLDBRKV-OAQYLSRUSA-N 1 0 355.482 2.170 50 0 FEAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000072658602 205566571 /nfs/dbraw/zinc/56/65/71/205566571.db2.gz ZNTXEYGKBCPQES-UHFFFAOYSA-N 1 0 362.470 2.355 50 0 FEAARO [NH3+]CCn1cc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)nn1 ZINC000077471918 205604459 /nfs/dbraw/zinc/60/44/59/205604459.db2.gz ANTXXWWYILBQBG-QGZVFWFLSA-N 1 0 355.829 2.410 50 0 FEAARO O=C(c1cnc2ccccc2c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091594984 205680744 /nfs/dbraw/zinc/68/07/44/205680744.db2.gz KBZHHXWGRCDUKW-RTBURBONSA-N 1 0 353.466 2.401 50 0 FEAARO O=C(NCc1ccccc1-n1cncn1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380083 205744576 /nfs/dbraw/zinc/74/45/76/205744576.db2.gz IJJYHUJNVVFVLC-KRWDZBQOSA-N 1 0 365.437 2.389 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCc1nc(Cn2cncn2)nn1Cc1ccccc1 ZINC000096137615 205829979 /nfs/dbraw/zinc/82/99/79/205829979.db2.gz VUYJSTKGJSUILI-GOSISDBHSA-N 1 0 365.485 2.383 50 0 FEAARO CC(C)(C)c1nc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)no1 ZINC000106948613 206016599 /nfs/dbraw/zinc/01/65/99/206016599.db2.gz RFDTXNNKVRCJNK-SFHVURJKSA-N 1 0 372.513 2.478 50 0 FEAARO C[N@@H+]1CCN(Cc2ccc(CCC(C)(C)O)cc2)C[C@@]12CCNC(=O)CC2 ZINC000107412657 206019423 /nfs/dbraw/zinc/01/94/23/206019423.db2.gz KPIFKOHTJUFMFP-JOCHJYFZSA-N 1 0 373.541 2.176 50 0 FEAARO O=C(CC[NH+]1CCN(CCOc2ccccc2Cl)CC1)NC1CC1 ZINC000045736571 206080132 /nfs/dbraw/zinc/08/01/32/206080132.db2.gz OXPCEJRRPDGVNZ-UHFFFAOYSA-N 1 0 351.878 2.005 50 0 FEAARO CN1C(=O)CC[C@H](C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237061210 206082988 /nfs/dbraw/zinc/08/29/88/206082988.db2.gz GCHSXBUHPYRCRJ-OFQRWUPVSA-N 1 0 369.387 2.175 50 0 FEAARO C[NH+](C)C1(CNC(=O)Cn2ncc(=O)c3ccccc32)CCCCCC1 ZINC000048234427 206084255 /nfs/dbraw/zinc/08/42/55/206084255.db2.gz OKUFMOUDYPRHGI-UHFFFAOYSA-N 1 0 356.470 2.167 50 0 FEAARO COc1ccc(CC[C@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCO2)cc1OC ZINC000237275402 206096339 /nfs/dbraw/zinc/09/63/39/206096339.db2.gz PQVODIMJNJMPIT-VQIMIIECSA-N 1 0 362.470 2.006 50 0 FEAARO Cc1nc(CN2CCC(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)cs1 ZINC000237398269 206102268 /nfs/dbraw/zinc/10/22/68/206102268.db2.gz KMNUBIXIZGGNLP-DYVFJYSZSA-N 1 0 350.532 2.249 50 0 FEAARO O=C(c1cnn(-c2ncccc2Cl)c1C(F)(F)F)N1CCC[NH2+]CC1 ZINC000237819765 206109572 /nfs/dbraw/zinc/10/95/72/206109572.db2.gz PKBPSGHLOZSYNI-UHFFFAOYSA-N 1 0 373.766 2.375 50 0 FEAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000237936882 206111623 /nfs/dbraw/zinc/11/16/23/206111623.db2.gz AJENGRWWXJAVMB-LALPHHSUSA-N 1 0 353.260 2.476 50 0 FEAARO COc1cc2c(cc1OC)-c1cc(NCCCCCC[NH3+])nc(=O)n1CC2 ZINC000002127207 206153903 /nfs/dbraw/zinc/15/39/03/206153903.db2.gz YISOZQROOYKWJB-UHFFFAOYSA-N 1 0 372.469 2.415 50 0 biogenic FEAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000002964684 206156691 /nfs/dbraw/zinc/15/66/91/206156691.db2.gz ZFZALCKLCWOWNW-CYBMUJFWSA-N 1 0 367.852 2.434 50 0 FEAARO Cc1ccc(N2C[C@H](NC(=O)N(C)C3CC[NH+](C)CC3)CC2=O)cc1C ZINC000004373175 206175670 /nfs/dbraw/zinc/17/56/70/206175670.db2.gz DJDFHKVJPZXTOW-MRXNPFEDSA-N 1 0 358.486 2.144 50 0 FEAARO O=C(NC[C@H](c1cccs1)N1CCOCC1)c1[nH]nc2ccccc21 ZINC000012574967 206293296 /nfs/dbraw/zinc/29/32/96/206293296.db2.gz SNKSTQWDLLABPT-OAHLLOKOSA-N 1 0 356.451 2.428 50 0 FEAARO Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1CCO[C@H](C(N)=O)C1 ZINC000214976211 206342829 /nfs/dbraw/zinc/34/28/29/206342829.db2.gz CRGHPZKYTDOCKH-FQEVSTJZSA-N 1 0 359.514 2.221 50 0 FEAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000215300688 206345299 /nfs/dbraw/zinc/34/52/99/206345299.db2.gz VTZNYURJBSCSNY-GOSISDBHSA-N 1 0 364.453 2.218 50 0 FEAARO CCOc1cc(C[N@@H+]2CCC(=O)NC[C@H]2C)ccc1OCCn1ccnc1 ZINC000215929527 206351835 /nfs/dbraw/zinc/35/18/35/206351835.db2.gz BVDQGCGQAJTLIL-MRXNPFEDSA-N 1 0 372.469 2.071 50 0 FEAARO CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1)N1CCOCC1 ZINC000218936236 206376427 /nfs/dbraw/zinc/37/64/27/206376427.db2.gz YGWJXUBDMQAJCG-LJQANCHMSA-N 1 0 359.514 2.441 50 0 FEAARO CN(CCc1nc2cc(Cl)ccc2[nH]1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219128461 206379828 /nfs/dbraw/zinc/37/98/28/206379828.db2.gz BWSGLFACAOMKPK-UHFFFAOYSA-N 1 0 371.876 2.472 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl ZINC000022681883 206387973 /nfs/dbraw/zinc/38/79/73/206387973.db2.gz OWTMIGVTUIXTFG-INIZCTEOSA-N 1 0 364.877 2.447 50 0 FEAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1 ZINC000022767127 206391719 /nfs/dbraw/zinc/39/17/19/206391719.db2.gz QCRYFHLWXZTHRH-QGZVFWFLSA-N 1 0 365.524 2.015 50 0 FEAARO c1nc2nc(-c3ccccc3)cc(N3CC[NH+]([C@@H]4CCSC4)CC3)n2n1 ZINC000075110526 542153290 /nfs/dbraw/zinc/15/32/90/542153290.db2.gz MYNVDGABUQYTIN-MRXNPFEDSA-N 1 0 366.494 2.419 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077298238 542363474 /nfs/dbraw/zinc/36/34/74/542363474.db2.gz SGZHEAUWAURHKO-SFHVURJKSA-N 1 0 354.397 2.351 50 0 FEAARO Cc1cccc(OCC[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)c1C ZINC000077342300 542369655 /nfs/dbraw/zinc/36/96/55/542369655.db2.gz GOPZYRRNSUWAQU-NRFANRHFSA-N 1 0 360.498 2.379 50 0 FEAARO C[NH2+][C@@H](C)C(=O)N1CCC2(CC(=O)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000077406897 542379506 /nfs/dbraw/zinc/37/95/06/542379506.db2.gz JZFCBTKQFJUKBI-AWEZNQCLSA-N 1 0 363.889 2.289 50 0 FEAARO Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000077426669 542380581 /nfs/dbraw/zinc/38/05/81/542380581.db2.gz DAJGYXXBCGKJFB-QGZVFWFLSA-N 1 0 368.481 2.470 50 0 FEAARO O=C(CN1CCCCCC1=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077425062 542380852 /nfs/dbraw/zinc/38/08/52/542380852.db2.gz MNNFHJWHUYIJKM-UHFFFAOYSA-N 1 0 369.509 2.091 50 0 FEAARO CC(=O)NCC1CC[NH+](Cc2ccc(OCCn3ccnc3)cc2)CC1 ZINC000077355472 542372009 /nfs/dbraw/zinc/37/20/09/542372009.db2.gz ORJBLCYETMHZHM-UHFFFAOYSA-N 1 0 356.470 2.310 50 0 FEAARO O=C(Cc1ccc(F)cc1Cl)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077451856 542383364 /nfs/dbraw/zinc/38/33/64/542383364.db2.gz YKARLNRYWLAPJH-GOSISDBHSA-N 1 0 354.853 2.471 50 0 FEAARO CCc1ncc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000077485493 542387110 /nfs/dbraw/zinc/38/71/10/542387110.db2.gz ZYQHVEYOVAUHGM-UHFFFAOYSA-N 1 0 350.466 2.354 50 0 FEAARO Cc1ccccc1[C@H](C(=O)NCc1c(C)ncc2c1CC[NH2+]C2)N(C)C ZINC000077534818 542393719 /nfs/dbraw/zinc/39/37/19/542393719.db2.gz WURXRWOVVISRMB-HXUWFJFHSA-N 1 0 352.482 2.263 50 0 FEAARO COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1=O ZINC000078870218 542484784 /nfs/dbraw/zinc/48/47/84/542484784.db2.gz XBFAKQQJPJMLER-BRWVUGGUSA-N 1 0 373.497 2.298 50 0 FEAARO Cn1cc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cn1 ZINC000082091458 542683660 /nfs/dbraw/zinc/68/36/60/542683660.db2.gz YRRIECSFHNJBEZ-UHFFFAOYSA-N 1 0 356.474 2.085 50 0 FEAARO CCCCSc1nc(N)cc(N2CCC([NH+]3CCC(O)CC3)CC2)n1 ZINC000095366221 132208463 /nfs/dbraw/zinc/20/84/63/132208463.db2.gz WOTBAPXMYUIBRS-UHFFFAOYSA-N 1 0 365.547 2.377 50 0 FEAARO Cc1cc(C[C@@H](C)NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)[nH]n1 ZINC000095382486 132209702 /nfs/dbraw/zinc/20/97/02/132209702.db2.gz AAANSLMZDRNECE-QGZVFWFLSA-N 1 0 369.513 2.286 50 0 FEAARO CCCCSc1nc(N)cc(N2CCC3(CC2)C[N@H+](C)CCN3C)n1 ZINC000095382720 132209794 /nfs/dbraw/zinc/20/97/94/132209794.db2.gz CSDAOXZINYNTKW-UHFFFAOYSA-N 1 0 364.563 2.167 50 0 FEAARO CCCc1cc(N2CCC([N@@H+]3CCCN(C(C)=O)CC3)CC2)nc(C)n1 ZINC000095519788 132213834 /nfs/dbraw/zinc/21/38/34/132213834.db2.gz NKIWYTABZUDJMZ-UHFFFAOYSA-N 1 0 359.518 2.261 50 0 FEAARO c1cn2nc(N3CC[NH+](C[C@H]4CCOc5ccccc5C4)CC3)ccc2n1 ZINC000095527191 132214642 /nfs/dbraw/zinc/21/46/42/132214642.db2.gz QZKWUZCIGGIKAC-KRWDZBQOSA-N 1 0 363.465 2.493 50 0 FEAARO O=C(c1ccnc(N2CCC([NH+]3CCC(O)CC3)CC2)c1)N1CCCCC1 ZINC000095529581 132215118 /nfs/dbraw/zinc/21/51/18/132215118.db2.gz FGBCHYIWQYOOCO-UHFFFAOYSA-N 1 0 372.513 2.133 50 0 FEAARO CNC(=O)c1ccc(C[NH2+]C2CCN(c3ncnc4ccsc43)CC2)o1 ZINC000096137876 132220128 /nfs/dbraw/zinc/22/01/28/132220128.db2.gz NJAYIPGCGMBFIE-UHFFFAOYSA-N 1 0 371.466 2.403 50 0 FEAARO [NH3+]Cc1ccc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)o1 ZINC000237955597 132248493 /nfs/dbraw/zinc/24/84/93/132248493.db2.gz SQAWJZSARLMDAW-UHFFFAOYSA-N 1 0 355.225 2.403 50 0 FEAARO CCOC(=O)c1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1Cl ZINC000170602002 132264538 /nfs/dbraw/zinc/26/45/38/132264538.db2.gz PHAWUYNPOVOJFS-AWEZNQCLSA-N 1 0 367.877 2.460 50 0 FEAARO Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000219218759 132274129 /nfs/dbraw/zinc/27/41/29/132274129.db2.gz HKXTVQHBHRKWKY-SFHVURJKSA-N 1 0 369.469 2.497 50 0 FEAARO Cn1ccnc1[C@@H]1CCC[N@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000244626634 132289863 /nfs/dbraw/zinc/28/98/63/132289863.db2.gz FPNRIXWDEDGDKC-LJQANCHMSA-N 1 0 353.514 2.422 50 0 FEAARO O[C@@H]1CN(Cc2cscn2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000299797808 132300725 /nfs/dbraw/zinc/30/07/25/132300725.db2.gz OUPFJDIPTHFINO-WOJBJXKFSA-N 1 0 372.538 2.337 50 0 FEAARO O=C1[C@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000002183631 132382627 /nfs/dbraw/zinc/38/26/27/132382627.db2.gz UOENOYYECINOMP-GOSISDBHSA-N 1 0 374.460 2.155 50 0 FEAARO c1nc2sc3c(c2c(N2CCN(CC[NH+]4CCCC4)CC2)n1)CCC3 ZINC000022787295 132906658 /nfs/dbraw/zinc/90/66/58/132906658.db2.gz ZMGSXLAVCUIHKA-UHFFFAOYSA-N 1 0 357.527 2.398 50 0 FEAARO CN1CC[C@]2(CN(Cc3nc4c(s3)CCCC4)CC[N@@H+]2C)CCC1=O ZINC000091410680 542806514 /nfs/dbraw/zinc/80/65/14/542806514.db2.gz NJGOVOLQRBLQRI-IBGZPJMESA-N 1 0 362.543 2.150 50 0 FEAARO CCNc1ncc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH+](C)C)C2)cn1 ZINC000091445191 542808036 /nfs/dbraw/zinc/80/80/36/542808036.db2.gz FLXSKRCMIBFCBT-ZWKOTPCHSA-N 1 0 369.469 2.087 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COc2ccccc2C1 ZINC000091665278 542818637 /nfs/dbraw/zinc/81/86/37/542818637.db2.gz NQBFOCMOHICNDH-KRWDZBQOSA-N 1 0 351.450 2.414 50 0 FEAARO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(Cl)s3)C[C@@H]2CO)CC1 ZINC000091665220 542818780 /nfs/dbraw/zinc/81/87/80/542818780.db2.gz NEHFHORFIKUVJW-HUUCEWRRSA-N 1 0 357.951 2.079 50 0 FEAARO CCN(CC[NH+]1CCCC1)C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O ZINC000091657283 542818860 /nfs/dbraw/zinc/81/88/60/542818860.db2.gz VCRZCMXOHOHDEA-UHFFFAOYSA-N 1 0 354.454 2.303 50 0 FEAARO CS(=O)(=O)N1CCc2[nH]cnc2C12CC[NH+](CC1CCCCC1)CC2 ZINC000091690156 542820798 /nfs/dbraw/zinc/82/07/98/542820798.db2.gz KKWOMGPMHXZEHD-UHFFFAOYSA-N 1 0 366.531 2.099 50 0 FEAARO O=C(C[NH+]1CCC2(CCC(=O)N(CC3CC3)C2)CC1)NCc1ccccc1 ZINC000091793102 542825688 /nfs/dbraw/zinc/82/56/88/542825688.db2.gz LSMPTIVAWOZKNN-UHFFFAOYSA-N 1 0 369.509 2.417 50 0 FEAARO Cc1cc(=O)n(CC(=O)N2CCC([C@@H](C)[NH+](C)C)CC2)c2ccccc12 ZINC000091950782 542833111 /nfs/dbraw/zinc/83/31/11/542833111.db2.gz AWINGGAPNVELOS-MRXNPFEDSA-N 1 0 355.482 2.499 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000091950699 542833127 /nfs/dbraw/zinc/83/31/27/542833127.db2.gz GEGQFKFAAQMBCL-SFHVURJKSA-N 1 0 366.465 2.109 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)c3ccc(-c4nc[nH]n4)cc3)C[C@@H]2[NH3+])cc1 ZINC000092028837 542839443 /nfs/dbraw/zinc/83/94/43/542839443.db2.gz HWBNWCKANCVMMD-MSOLQXFVSA-N 1 0 363.421 2.047 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000092106866 542846087 /nfs/dbraw/zinc/84/60/87/542846087.db2.gz WJNZFPBEJSLLBK-UHFFFAOYSA-N 1 0 370.453 2.193 50 0 FEAARO Cc1nc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c(=O)[nH]c1C ZINC000092692506 542881787 /nfs/dbraw/zinc/88/17/87/542881787.db2.gz BBMCNDXRSTVQOO-UHFFFAOYSA-N 1 0 369.469 2.160 50 0 FEAARO C[N@@H+]1CCN(Cc2cccc(O)c2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095378619 542964184 /nfs/dbraw/zinc/96/41/84/542964184.db2.gz SAJNXHPQUVZTCU-NRFANRHFSA-N 1 0 357.498 2.301 50 0 FEAARO O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095370690 542962633 /nfs/dbraw/zinc/96/26/33/542962633.db2.gz AFOLVPWCPITKTB-MRXNPFEDSA-N 1 0 350.422 2.253 50 0 FEAARO Cc1ncc(C[N@@H+]2CCc3nc(C)nc(N4CC=CCC4)c3CC2)n1C ZINC000072426356 136146452 /nfs/dbraw/zinc/14/64/52/136146452.db2.gz KYGGQTUUAIOVPE-UHFFFAOYSA-N 1 0 352.486 2.194 50 0 FEAARO CN(CC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1)c1ccccc1 ZINC000095353425 542957161 /nfs/dbraw/zinc/95/71/61/542957161.db2.gz KDUMOCNDHCQTTR-SFHVURJKSA-N 1 0 369.513 2.287 50 0 FEAARO CN(Cc1cc2ccccc2s1)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000095354862 542958288 /nfs/dbraw/zinc/95/82/88/542958288.db2.gz XIHCUYWGKPNFAZ-HNNXBMFYSA-N 1 0 359.495 2.270 50 0 FEAARO Cc1nc(CN2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)cs1 ZINC000095379155 542964163 /nfs/dbraw/zinc/96/41/63/542964163.db2.gz RQLQIUKDBBFWNZ-UHFFFAOYSA-N 1 0 350.532 2.362 50 0 FEAARO CN(CCO)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1 ZINC000095364140 542961185 /nfs/dbraw/zinc/96/11/85/542961185.db2.gz OBGBXNQSDHIISL-WIYYLYMNSA-N 1 0 371.525 2.452 50 0 FEAARO Cc1cc(C)n(CC[NH2+]C2CCN(c3nc4ccccc4o3)CC2)c(=O)n1 ZINC000095379635 542964794 /nfs/dbraw/zinc/96/47/94/542964794.db2.gz VBUPSCHDMJGJHL-UHFFFAOYSA-N 1 0 367.453 2.260 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000095384498 542965821 /nfs/dbraw/zinc/96/58/21/542965821.db2.gz VIQBPYTXTDQCBR-OAHLLOKOSA-N 1 0 370.501 2.066 50 0 FEAARO Cc1cc(C)n(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(=O)n1 ZINC000095379037 542964321 /nfs/dbraw/zinc/96/43/21/542964321.db2.gz MMHBAQXYPRRBBQ-UHFFFAOYSA-N 1 0 368.481 2.276 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2nc(C)c[nH]2)C3)cc1 ZINC000095390871 542967965 /nfs/dbraw/zinc/96/79/65/542967965.db2.gz HZDUOXOIFLUZCK-DLBZAZTESA-N 1 0 354.454 2.463 50 0 FEAARO C[N@@H+]1CCCN(C(=O)Nc2cccc(I)c2)CC1 ZINC000095460823 542971778 /nfs/dbraw/zinc/97/17/78/542971778.db2.gz RTXORIKOXXGOGF-UHFFFAOYSA-N 1 0 359.211 2.461 50 0 FEAARO C[N@@H+]1CCC[C@@H](CN2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499029 542974032 /nfs/dbraw/zinc/97/40/32/542974032.db2.gz FSUKMEFPROGLJX-OAHLLOKOSA-N 1 0 356.474 2.054 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000095525548 542980772 /nfs/dbraw/zinc/98/07/72/542980772.db2.gz QSLVWAATTSAGLO-IBGZPJMESA-N 1 0 357.458 2.183 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000095526666 542981147 /nfs/dbraw/zinc/98/11/47/542981147.db2.gz SMTWMOYHBBQTCO-QGZVFWFLSA-N 1 0 356.470 2.099 50 0 FEAARO Cc1noc(C)c1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095530508 542981566 /nfs/dbraw/zinc/98/15/66/542981566.db2.gz WFRVPDBPVYOGEG-MRXNPFEDSA-N 1 0 359.474 2.459 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccncc2)CC1 ZINC000096148154 542993141 /nfs/dbraw/zinc/99/31/41/542993141.db2.gz IUUACIFXEGJLQM-IBGZPJMESA-N 1 0 361.486 2.061 50 0 FEAARO COc1ccc(Cl)cc1NC(=O)N1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC000096151198 542993367 /nfs/dbraw/zinc/99/33/67/542993367.db2.gz MAXNXKCDMYGUSX-AWEZNQCLSA-N 1 0 352.866 2.202 50 0 FEAARO C[NH+](C)Cc1ccccc1-c1nc(CC(N)=O)nn1-c1cccc(F)c1 ZINC000096141020 542993568 /nfs/dbraw/zinc/99/35/68/542993568.db2.gz ZVMGJUGYOUIVCD-UHFFFAOYSA-N 1 0 353.401 2.163 50 0 FEAARO CCn1c2cc(C)c(NC(=O)N3CCC[N@H+](C)CC3)cc2n(CC)c1=O ZINC000096138100 542993747 /nfs/dbraw/zinc/99/37/47/542993747.db2.gz AZPBLFQKBKQIKH-UHFFFAOYSA-N 1 0 359.474 2.321 50 0 FEAARO COc1ccc(NC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c(F)c1 ZINC000096180917 542995126 /nfs/dbraw/zinc/99/51/26/542995126.db2.gz YFJSLTTUULUZJA-SFHVURJKSA-N 1 0 362.449 2.078 50 0 FEAARO COC(=O)[C@@H](Cc1c(C)onc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000096316082 542997580 /nfs/dbraw/zinc/99/75/80/542997580.db2.gz JOTRGYDILFCOFW-KRWDZBQOSA-N 1 0 357.454 2.229 50 0 FEAARO Cn1nc(C(=O)N2C[C@H](C[NH+](C)C)C3(C2)CCOCC3)c2ccccc21 ZINC000097086808 543003866 /nfs/dbraw/zinc/00/38/66/543003866.db2.gz ZQQKLEICOGCAKS-HNNXBMFYSA-N 1 0 356.470 2.004 50 0 FEAARO CN1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)[C@@H](C[NH3+])C1 ZINC000097228994 543008857 /nfs/dbraw/zinc/00/88/57/543008857.db2.gz DTIOEVOVJUCVNF-HNNXBMFYSA-N 1 0 363.383 2.486 50 0 FEAARO COc1ccc(C[NH+]2CCC(c3ncon3)CC2)cc1Cn1cncn1 ZINC000097594982 543014037 /nfs/dbraw/zinc/01/40/37/543014037.db2.gz DAHOUJVVFWSRJC-UHFFFAOYSA-N 1 0 354.414 2.098 50 0 FEAARO Cc1onc(-c2ccccc2)c1C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000097742652 543016191 /nfs/dbraw/zinc/01/61/91/543016191.db2.gz LBJXYNZRJDSHNJ-UHFFFAOYSA-N 1 0 351.410 2.270 50 0 FEAARO CN(C(=O)Cn1[nH]c2ccccc2c1=O)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097730006 543016280 /nfs/dbraw/zinc/01/62/80/543016280.db2.gz DSTHYJRHLDQCQQ-SFHVURJKSA-N 1 0 352.438 2.091 50 0 FEAARO COc1ccccc1C(=O)N1CC[C@@](O)(c2ccccc2)[C@H]([NH+](C)C)C1 ZINC000097942694 543016607 /nfs/dbraw/zinc/01/66/07/543016607.db2.gz OZAFRQPGYOCQOM-TZIWHRDSSA-N 1 0 354.450 2.359 50 0 FEAARO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2nc(C)ccc2O)CC1 ZINC000103344638 543104259 /nfs/dbraw/zinc/10/42/59/543104259.db2.gz SNUZXVSKBDACTL-UHFFFAOYSA-N 1 0 369.465 2.428 50 0 FEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(C)c(Br)s1 ZINC000133196304 544259916 /nfs/dbraw/zinc/25/99/16/544259916.db2.gz SGUJWWBCXFXLBL-SECBINFHSA-N 1 0 353.307 2.192 50 0 FEAARO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000152747060 544691201 /nfs/dbraw/zinc/69/12/01/544691201.db2.gz STYZNQOKSQNLKE-OAHLLOKOSA-N 1 0 361.490 2.350 50 0 FEAARO [NH3+]CCOc1ccc(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)cc1 ZINC000426414778 263583587 /nfs/dbraw/zinc/58/35/87/263583587.db2.gz USYGIYJZSKBGGV-MRXNPFEDSA-N 1 0 353.344 2.381 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cnn2ccncc12 ZINC000193213394 328363057 /nfs/dbraw/zinc/36/30/57/328363057.db2.gz KTJRSBOBBFNDJY-KRWDZBQOSA-N 1 0 364.453 2.251 50 0 FEAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000241693901 520244434 /nfs/dbraw/zinc/24/44/34/520244434.db2.gz QIRJBVMORQZHHD-RYUDHWBXSA-N 1 0 358.408 2.334 50 0 FEAARO CCNc1nc(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000082230314 520352818 /nfs/dbraw/zinc/35/28/18/520352818.db2.gz BUFGKYVDFNBPDV-UHFFFAOYSA-N 1 0 369.469 2.117 50 0 FEAARO COc1cc(C)ccc1OCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)N(C)C)C2 ZINC000091534975 522278093 /nfs/dbraw/zinc/27/80/93/522278093.db2.gz PBIHXVUAOBLFRZ-IAGOWNOFSA-N 1 0 361.486 2.460 50 0 FEAARO COc1cc2c(cc1C[NH+]1CCC(Cc3nnc(CO)n3C)CC1)CCC2 ZINC000082133544 522999531 /nfs/dbraw/zinc/99/95/31/522999531.db2.gz CRHVJRAVHOKSBJ-UHFFFAOYSA-N 1 0 370.497 2.259 50 0 FEAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000082097435 523189066 /nfs/dbraw/zinc/18/90/66/523189066.db2.gz BAGZMSHURAXYRA-UHFFFAOYSA-N 1 0 369.517 2.251 50 0 FEAARO COc1ccc(/C=C/C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000083957529 523391995 /nfs/dbraw/zinc/39/19/95/523391995.db2.gz XPNGDYDQPWDLSJ-VMSUTVGLSA-N 1 0 362.470 2.070 50 0 FEAARO C[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000078739064 523775044 /nfs/dbraw/zinc/77/50/44/523775044.db2.gz RLHKCWUDIPZUDJ-HXUWFJFHSA-N 1 0 365.477 2.238 50 0 FEAARO COc1cccc(CCn2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000082134919 525905127 /nfs/dbraw/zinc/90/51/27/525905127.db2.gz AVIMVESDVBFJRZ-UHFFFAOYSA-N 1 0 352.442 2.317 50 0 FEAARO O=C(COc1ccc(F)cc1F)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091548758 526961390 /nfs/dbraw/zinc/96/13/90/526961390.db2.gz GOPHBAGEJIWPED-HNNXBMFYSA-N 1 0 354.397 2.057 50 0 FEAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1nnc(-c3cccnc3)o1)C2 ZINC000091469054 527036940 /nfs/dbraw/zinc/03/69/40/527036940.db2.gz XKWZYNXRYZYSBH-FQEVSTJZSA-N 1 0 367.453 2.356 50 0 FEAARO Cn1c(C[N@@H+]2CCC[C@H](Cn3cc(CCO)nn3)C2)cc2ccccc21 ZINC000020781625 527054256 /nfs/dbraw/zinc/05/42/56/527054256.db2.gz BEDBUWOWDWIWOR-INIZCTEOSA-N 1 0 353.470 2.217 50 0 FEAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000091644797 527070662 /nfs/dbraw/zinc/07/06/62/527070662.db2.gz FKICSFZBDWQBBT-UHFFFAOYSA-N 1 0 366.469 2.318 50 0 FEAARO CCCCc1c(C)[nH+]c(N)nc1N1CCN(c2cc(CC)ncn2)CC1 ZINC000091951666 535077622 /nfs/dbraw/zinc/07/76/22/535077622.db2.gz OOZHGMFOERRXJG-UHFFFAOYSA-N 1 0 355.490 2.389 50 0 FEAARO COc1ccccc1-n1cc(-c2ccnc(N3CC[NH+](C)CC3)n2)cn1 ZINC000055255174 536977514 /nfs/dbraw/zinc/97/75/14/536977514.db2.gz HBRNUFRCEQWGFV-UHFFFAOYSA-N 1 0 350.426 2.090 50 0 FEAARO COc1ccc2cc(C[NH2+]C[C@H]3CCCO3)c(N3CCOCC3)nc2c1 ZINC000299769675 537035209 /nfs/dbraw/zinc/03/52/09/537035209.db2.gz SXRNQOCNKISIOG-GOSISDBHSA-N 1 0 357.454 2.349 50 0 FEAARO CCN1CC[NH+](C[C@H](C)CNC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000170608061 546164501 /nfs/dbraw/zinc/16/45/01/546164501.db2.gz FRBWBHNWPKRKKY-LLVKDONJSA-N 1 0 364.437 2.165 50 0 FEAARO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cc2)no1 ZINC000179470217 546958787 /nfs/dbraw/zinc/95/87/87/546958787.db2.gz SUDDKWUYDLQGEU-INIZCTEOSA-N 1 0 354.414 2.386 50 0 FEAARO CN1CC[NH+](CC2CCN(C(=O)c3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000186801044 548196485 /nfs/dbraw/zinc/19/64/85/548196485.db2.gz FXRUVHWWHBXAGX-UHFFFAOYSA-N 1 0 373.526 2.238 50 0 FEAARO CCc1nc(C2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)n[nH]1 ZINC000190688064 548333007 /nfs/dbraw/zinc/33/30/07/548333007.db2.gz WDHVYSOKCXGERV-UHFFFAOYSA-N 1 0 370.457 2.144 50 0 FEAARO Cc1ccc(C)c(CN2CCn3nc([C@@H](O)c4nccn4C)cc3C2)c1 ZINC000221227981 548703644 /nfs/dbraw/zinc/70/36/44/548703644.db2.gz SHIIRDWNLIAUQR-LJQANCHMSA-N 1 0 351.454 2.331 50 0 FEAARO C[NH+]1CCN(CCC(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)CC1 ZINC000223009227 548714483 /nfs/dbraw/zinc/71/44/83/548714483.db2.gz MXSDUDCALMCTCB-UHFFFAOYSA-N 1 0 358.486 2.379 50 0 FEAARO COc1cccc(OCC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000223684922 548723327 /nfs/dbraw/zinc/72/33/27/548723327.db2.gz HWLIEZOASCGGPR-UHFFFAOYSA-N 1 0 366.461 2.386 50 0 FEAARO O=C(NCCOc1ccccc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225566406 548737818 /nfs/dbraw/zinc/73/78/18/548737818.db2.gz TUFUYMGJFFPOTL-UHFFFAOYSA-N 1 0 361.486 2.256 50 0 FEAARO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)COc2ccc(F)cc2)CCN1 ZINC000229619306 548755753 /nfs/dbraw/zinc/75/57/53/548755753.db2.gz BCSPZAAVPTZKOL-MJGOQNOKSA-N 1 0 358.413 2.129 50 0 FEAARO CCCn1ccnc1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230183552 548759327 /nfs/dbraw/zinc/75/93/27/548759327.db2.gz STSCYWXWVVIESN-OAQYLSRUSA-N 1 0 373.545 2.202 50 0 FEAARO Cn1cc([C@H]([NH2+]C2CCN(C(=O)c3cccs3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000240228119 548883923 /nfs/dbraw/zinc/88/39/23/548883923.db2.gz KGFWNMREGQVQRL-RPVQJOFSSA-N 1 0 374.510 2.188 50 0 FEAARO COCC[NH+]1CCC(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2C[C@@H](O)C2)CC1 ZINC000243932096 548889991 /nfs/dbraw/zinc/88/99/91/548889991.db2.gz BSRSMPATNDKYBK-UHOSZYNNSA-N 1 0 364.461 2.112 50 0 FEAARO CN(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1c[nH]nc1-c1ccccc1 ZINC000244718688 548892370 /nfs/dbraw/zinc/89/23/70/548892370.db2.gz LOZWAAARALMNML-UHFFFAOYSA-N 1 0 363.421 2.246 50 0 FEAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000244708107 548892497 /nfs/dbraw/zinc/89/24/97/548892497.db2.gz KNOHUIWKXURURS-MRXNPFEDSA-N 1 0 360.433 2.123 50 0 FEAARO CC(C)(C)c1csc(NC(=O)CN2CCC([NH+]3CCOCC3)CC2)n1 ZINC000244735114 548894056 /nfs/dbraw/zinc/89/40/56/548894056.db2.gz NTDBCDGNADHTEZ-UHFFFAOYSA-N 1 0 366.531 2.176 50 0 FEAARO Cc1cccc([C@H]2CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)C2)c1 ZINC000244734981 548894065 /nfs/dbraw/zinc/89/40/65/548894065.db2.gz NQXQJVYJFBQGAW-IBGZPJMESA-N 1 0 357.498 2.288 50 0 FEAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000244774080 548894560 /nfs/dbraw/zinc/89/45/60/548894560.db2.gz PNLLAKMLSNTDHX-INIZCTEOSA-N 1 0 370.453 2.077 50 0 FEAARO CCOc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000244811733 548896225 /nfs/dbraw/zinc/89/62/25/548896225.db2.gz SKDVKKVPIVBATH-UHFFFAOYSA-N 1 0 362.470 2.467 50 0 FEAARO COCc1nc(NCc2cn3cc(C)sc3n2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244884388 548898421 /nfs/dbraw/zinc/89/84/21/548898421.db2.gz YLNFCSRUXGPWCW-TXEJJXNPSA-N 1 0 358.471 2.457 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)[C@H]1c1ccccc1 ZINC000247974264 549396557 /nfs/dbraw/zinc/39/65/57/549396557.db2.gz GBXJTYPIMXXRRX-ZQDZILKHSA-N 1 0 369.387 2.005 50 0 FEAARO COc1cc(NC(=O)CN2CCN(c3cc[nH+]c(C)c3)CC2)cc(OC)c1 ZINC000252490714 549669170 /nfs/dbraw/zinc/66/91/70/549669170.db2.gz KZMNYWCVEYBHJI-UHFFFAOYSA-N 1 0 370.453 2.168 50 0 FEAARO COc1ccc(C)cc1NC(=O)CC[N@H+](C)CC1(CO)CCOCC1 ZINC000252497601 549669662 /nfs/dbraw/zinc/66/96/62/549669662.db2.gz QKQRXPPWQIRJFN-UHFFFAOYSA-N 1 0 350.459 2.053 50 0 FEAARO Cc1cccc(C)c1NC(=O)N1CC[C@@H](c2nnc3n2CC[N@@H+](C)CC3)C1 ZINC000257190363 549714483 /nfs/dbraw/zinc/71/44/83/549714483.db2.gz MGKQGFCYDBUWTA-MRXNPFEDSA-N 1 0 368.485 2.404 50 0 FEAARO O=C(C[C@@H]1CCc2nnc(C3CCCC3)n2CC1)NCC[NH+]1CCCC1 ZINC000257192706 549715970 /nfs/dbraw/zinc/71/59/70/549715970.db2.gz VJZNTIPMWWIHDD-MRXNPFEDSA-N 1 0 359.518 2.490 50 0 FEAARO C[C@@H](c1ccccc1)[C@](C)(O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000279154226 550859748 /nfs/dbraw/zinc/85/97/48/550859748.db2.gz DVPVPQPMYYRQTI-WWMYMODYSA-N 1 0 360.498 2.253 50 0 FEAARO O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000283723941 551416711 /nfs/dbraw/zinc/41/67/11/551416711.db2.gz VMDTUVVBXULURM-ZCNNSNEGSA-N 1 0 372.509 2.335 50 0 FEAARO CC1(C)Cc2cccc(C[NH+]3CCC(CNS(C)(=O)=O)CC3)c2O1 ZINC000289391819 552313526 /nfs/dbraw/zinc/31/35/26/552313526.db2.gz NRDJAUZMPLEVSE-UHFFFAOYSA-N 1 0 352.500 2.161 50 0 FEAARO C[NH+]1CCC(CC(=O)N2CCOC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000291710664 552653645 /nfs/dbraw/zinc/65/36/45/552653645.db2.gz PVUYHCMQHWSZJV-QGZVFWFLSA-N 1 0 370.453 2.368 50 0 FEAARO Cc1ncn(CC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1C ZINC000299760838 553611676 /nfs/dbraw/zinc/61/16/76/553611676.db2.gz XTWCKENCKQZUHP-UHFFFAOYSA-N 1 0 352.482 2.202 50 0 FEAARO Cc1c[nH]c(C[N@H+](C)CCNc2cc([C@H]3CCOC3)ncn2)c(C)c1=O ZINC000299764979 553611853 /nfs/dbraw/zinc/61/18/53/553611853.db2.gz WULJIUUETSVHJM-HNNXBMFYSA-N 1 0 357.458 2.242 50 0 FEAARO COC(=O)[C@H]1CC(=O)N(OCc2ccc3ccccc3c2)C12CC[NH2+]CC2 ZINC000299774157 553612972 /nfs/dbraw/zinc/61/29/72/553612972.db2.gz BLTKMEFGAPIKFU-GOSISDBHSA-N 1 0 368.433 2.415 50 0 FEAARO COc1cccc(C(=O)N2CC[C@](O)(c3ccccc3)C2)c1OCCC[NH3+] ZINC000299781514 553614027 /nfs/dbraw/zinc/61/40/27/553614027.db2.gz RHUNXHOFNNPRPU-OAQYLSRUSA-N 1 0 370.449 2.157 50 0 FEAARO Cn1ccnc1[C@@H]1CCN(C(=O)Nc2ccncc2Br)C1 ZINC000329480388 553954539 /nfs/dbraw/zinc/95/45/39/553954539.db2.gz CYASBFJEIRFFSD-SNVBAGLBSA-N 1 0 350.220 2.021 50 0 FEAARO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000332869532 554533719 /nfs/dbraw/zinc/53/37/19/554533719.db2.gz LVKJGMJILBMNDQ-OALUTQOASA-N 1 0 365.518 2.088 50 0 FEAARO COc1ccc(-c2cccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)cn1 ZINC000426489548 559735717 /nfs/dbraw/zinc/73/57/17/559735717.db2.gz MQUZHNVRORXLKR-OALUTQOASA-N 1 0 367.449 2.350 50 0 FEAARO COc1cccc(CCNC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000426495848 559735899 /nfs/dbraw/zinc/73/58/99/559735899.db2.gz RQQCAXOREMCHSK-LJQANCHMSA-N 1 0 361.486 2.134 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC000426509270 559736181 /nfs/dbraw/zinc/73/61/81/559736181.db2.gz DFMOSHXRHYTVCQ-UHFFFAOYSA-N 1 0 350.894 2.261 50 0 FEAARO CN(CC(=O)NC1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1F ZINC000426534052 559737193 /nfs/dbraw/zinc/73/71/93/559737193.db2.gz LKAMWMHCNQUGRK-UHFFFAOYSA-N 1 0 363.477 2.017 50 0 FEAARO Cc1cc2n(n1)CCN(C(=O)NC[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000426541175 559737242 /nfs/dbraw/zinc/73/72/42/559737242.db2.gz AAFCURPWYZVTDW-GOSISDBHSA-N 1 0 353.470 2.239 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000426580998 559738274 /nfs/dbraw/zinc/73/82/74/559738274.db2.gz QPWBLMDGUZAWCG-AWEZNQCLSA-N 1 0 371.412 2.293 50 0 FEAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426596638 559738676 /nfs/dbraw/zinc/73/86/76/559738676.db2.gz RJKXUKQXQRIKCM-CYBMUJFWSA-N 1 0 370.432 2.024 50 0 FEAARO Cc1cc(CNC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)no1 ZINC000426606726 559738934 /nfs/dbraw/zinc/73/89/34/559738934.db2.gz ITMPXCABLYGDNJ-UHFFFAOYSA-N 1 0 354.454 2.368 50 0 FEAARO C[N@@H+]1CC[C@@](C)(CNC(=O)N(CCCn2ccnc2)Cc2ccncc2)C1 ZINC000426621645 559739202 /nfs/dbraw/zinc/73/92/02/559739202.db2.gz LXYZNKYVQAAHNI-FQEVSTJZSA-N 1 0 370.501 2.222 50 0 FEAARO C[NH+]1CCN([C@@H]2CCN(C(=O)NC(C)(C)Cc3ccc(F)cc3)C2)CC1 ZINC000534583239 562537443 /nfs/dbraw/zinc/53/74/43/562537443.db2.gz JUAAYOFOVMMZIG-GOSISDBHSA-N 1 0 362.493 2.178 50 0 FEAARO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)N(Cc1ccco1)Cc1ccncc1 ZINC000534631089 562538644 /nfs/dbraw/zinc/53/86/44/562538644.db2.gz MVEOOENSTXMMLG-GOSISDBHSA-N 1 0 372.469 2.091 50 0 FEAARO CN(C)c1nsc(-c2cccc(C(=O)NCC[C@H]3CCC[N@@H+]3C)c2)n1 ZINC000534650495 562539376 /nfs/dbraw/zinc/53/93/76/562539376.db2.gz XWZPWLFNCWANIP-OAHLLOKOSA-N 1 0 359.499 2.485 50 0 FEAARO Cc1noc(C)c1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420948 570906614 /nfs/dbraw/zinc/90/66/14/570906614.db2.gz NLZPSNJHBKDCDN-SFHVURJKSA-N 1 0 356.470 2.279 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3C[C@H](O)C[C@H]3c3ccccc3)c[nH]2)CC1 ZINC000685942777 571103257 /nfs/dbraw/zinc/10/32/57/571103257.db2.gz VSDLVAAZMPZAAJ-AEFFLSMTSA-N 1 0 354.454 2.167 50 0 FEAARO Nc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nc(N)n1 ZINC000426414668 571138142 /nfs/dbraw/zinc/13/81/42/571138142.db2.gz PRJYKFARLLMUEL-LJQANCHMSA-N 1 0 356.449 2.273 50 0 FEAARO O=C(NCc1ccc(-c2ncon2)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000426387120 571218321 /nfs/dbraw/zinc/21/83/21/571218321.db2.gz PTUGJBHTKGEVSY-UHFFFAOYSA-N 1 0 370.453 2.244 50 0 FEAARO CCC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2nc(-c3cccnc3)no2)C1 ZINC000426389537 571218991 /nfs/dbraw/zinc/21/89/91/571218991.db2.gz XZSXKJLSMNJHNJ-HNNXBMFYSA-N 1 0 358.446 2.147 50 0 FEAARO Cc1nc(CSc2nnc([C@H]([NH3+])Cc3ccccc3)n2C)cc(=O)[nH]1 ZINC000426399028 571219781 /nfs/dbraw/zinc/21/97/81/571219781.db2.gz LPRGHJUXXREAKM-CQSZACIVSA-N 1 0 356.455 2.154 50 0 FEAARO COc1ccccc1CNC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000426419795 571222681 /nfs/dbraw/zinc/22/26/81/571222681.db2.gz PCGPWNKLBFYVOZ-SFHVURJKSA-N 1 0 361.486 2.482 50 0 FEAARO COc1ccc(F)cc1-c1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000426428810 571224390 /nfs/dbraw/zinc/22/43/90/571224390.db2.gz CYQCHZHJGVNRQL-GOSISDBHSA-N 1 0 371.456 2.477 50 0 FEAARO Cc1cc(C)cc(CSCC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000670452446 571352705 /nfs/dbraw/zinc/35/27/05/571352705.db2.gz AIMSWACZBJMDOH-GOSISDBHSA-N 1 0 350.528 2.500 50 0 FEAARO CCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)C1 ZINC000670458270 571355469 /nfs/dbraw/zinc/35/54/69/571355469.db2.gz CMFKODAXBDKPLZ-CQSZACIVSA-N 1 0 363.483 2.402 50 0 FEAARO Cc1ccc(=O)n(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000670466654 571358758 /nfs/dbraw/zinc/35/87/58/571358758.db2.gz IPJJXMCQMBMZLO-LJQANCHMSA-N 1 0 368.481 2.285 50 0 FEAARO Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)sc1C ZINC000012714483 670003148 /nfs/dbraw/zinc/00/31/48/670003148.db2.gz JVBLGGXJPLRXHO-INIZCTEOSA-N 1 0 364.559 2.225 50 0 FEAARO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)Nc1nnc(-c2ccccc2)s1 ZINC000023128807 670046550 /nfs/dbraw/zinc/04/65/50/670046550.db2.gz YJHNIDCSBDPDPN-CYBMUJFWSA-N 1 0 361.471 2.031 50 0 FEAARO C[NH+]1CCC(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000169760700 672321477 /nfs/dbraw/zinc/32/14/77/672321477.db2.gz NOUDSZWXKHAOLK-UHFFFAOYSA-N 1 0 356.463 2.090 50 0 FEAARO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178948684 672397456 /nfs/dbraw/zinc/39/74/56/672397456.db2.gz KUGBBALOOHHGGM-AWEZNQCLSA-N 1 0 350.484 2.132 50 0 FEAARO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000189304139 672612794 /nfs/dbraw/zinc/61/27/94/672612794.db2.gz BVBZZJZJBXWFDX-CYBMUJFWSA-N 1 0 362.499 2.201 50 0 FEAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)c1ccccc1C(F)(F)F ZINC000952976503 681794504 /nfs/dbraw/zinc/79/45/04/681794504.db2.gz RWFOJVZJIYZCDJ-NWDGAFQWSA-N 1 0 357.376 2.080 50 0 FEAARO Cc1ccsc1[C@@H](CNC(=O)CSc1nnc(N)s1)[NH+](C)C ZINC000952984080 681795241 /nfs/dbraw/zinc/79/52/41/681795241.db2.gz ZNVKMMZCZZPXOJ-SECBINFHSA-N 1 0 357.530 2.001 50 0 FEAARO Cc1nc(SCC[NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)n[nH]1 ZINC000952991118 681796081 /nfs/dbraw/zinc/79/60/81/681796081.db2.gz OYSGINYSDXRIGQ-MRXNPFEDSA-N 1 0 359.499 2.376 50 0 FEAARO Cc1ccoc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000011754149 539535139 /nfs/dbraw/zinc/53/51/39/539535139.db2.gz WAJMLXILNQWIKU-OAHLLOKOSA-N 1 0 359.470 2.183 50 0 FEAARO COc1cccc(CCC(=O)N2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)c1 ZINC000012475494 539562447 /nfs/dbraw/zinc/56/24/47/539562447.db2.gz IOOATEZCQGCBHQ-LJQANCHMSA-N 1 0 360.498 2.323 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000012588948 539566971 /nfs/dbraw/zinc/56/69/71/539566971.db2.gz XXOZPUGJNVRETR-QGZVFWFLSA-N 1 0 355.482 2.282 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013056200 539583194 /nfs/dbraw/zinc/58/31/94/539583194.db2.gz IOMDUXRNTWQOQX-ZIAGYGMSSA-N 1 0 367.515 2.162 50 0 FEAARO CCc1cccc2c([C@@H](O)C[NH+]3CCN(c4ncccn4)CC3)c[nH]c21 ZINC000012896554 539578666 /nfs/dbraw/zinc/57/86/66/539578666.db2.gz BAOGDCNNWHWJEL-SFHVURJKSA-N 1 0 351.454 2.376 50 0 FEAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014537446 539604066 /nfs/dbraw/zinc/60/40/66/539604066.db2.gz CIBOSISMLSKNIK-QGZVFWFLSA-N 1 0 373.522 2.463 50 0 FEAARO O=C1O[C@@H]2CN(c3cc[nH+]c(CO)c3)C[C@@H]2N1CCCc1ccc(F)cc1 ZINC000014963408 539608089 /nfs/dbraw/zinc/60/80/89/539608089.db2.gz NANFQAPESRSHCL-RBUKOAKNSA-N 1 0 371.412 2.355 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)cc2)C3)CC1 ZINC000015779421 539623109 /nfs/dbraw/zinc/62/31/09/539623109.db2.gz UQFDAPSJLOLVEL-UHFFFAOYSA-N 1 0 351.498 2.485 50 0 FEAARO Cn1c(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc2ccccc21 ZINC000020542923 539676028 /nfs/dbraw/zinc/67/60/28/539676028.db2.gz IPNHGGGFVBJNLC-UHFFFAOYSA-N 1 0 363.465 2.255 50 0 FEAARO CCCOc1ccc(Cc2c(O)nc(NCCC[NH+](C)C)[nH]c2=O)cc1 ZINC000019911280 539670800 /nfs/dbraw/zinc/67/08/00/539670800.db2.gz ZBUCWGXYXDJYCW-UHFFFAOYSA-N 1 0 360.458 2.219 50 0 FEAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000019890004 539670975 /nfs/dbraw/zinc/67/09/75/539670975.db2.gz OCDNRGNOEIHPEV-SFHVURJKSA-N 1 0 351.406 2.109 50 0 FEAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)CC1 ZINC000020219047 539673698 /nfs/dbraw/zinc/67/36/98/539673698.db2.gz NUQURKLZMVQEGG-UHFFFAOYSA-N 1 0 366.874 2.288 50 0 FEAARO COc1cccc(CN2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)c1 ZINC000022930814 539702854 /nfs/dbraw/zinc/70/28/54/539702854.db2.gz SWVXWUAANCXYFT-IBGZPJMESA-N 1 0 356.466 2.470 50 0 FEAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000025330370 539756138 /nfs/dbraw/zinc/75/61/38/539756138.db2.gz UERWNQFOMHNDAG-MRXNPFEDSA-N 1 0 362.495 2.456 50 0 FEAARO O[C@H](CN1CCOCC1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026712553 539791401 /nfs/dbraw/zinc/79/14/01/539791401.db2.gz BFHUJJVYIRTWRA-INIZCTEOSA-N 1 0 361.511 2.169 50 0 FEAARO COc1ccc(N2C[C@@H](C(=O)N3CC[NH+](C4CCCC4)CC3)CC2=O)cc1 ZINC000034917699 539978594 /nfs/dbraw/zinc/97/85/94/539978594.db2.gz CIONGCSQBBSKPX-INIZCTEOSA-N 1 0 371.481 2.135 50 0 FEAARO CC[NH+](CC)CCn1cc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cn1 ZINC000040158647 540008605 /nfs/dbraw/zinc/00/86/05/540008605.db2.gz XUZNHDKEYWDTOD-SFHVURJKSA-N 1 0 359.474 2.388 50 0 FEAARO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000050246615 540403570 /nfs/dbraw/zinc/40/35/70/540403570.db2.gz CTHZTIDLQILWSX-QMMMGPOBSA-N 1 0 353.669 2.072 50 0 FEAARO NC(=O)CC[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067947705 541531821 /nfs/dbraw/zinc/53/18/21/541531821.db2.gz VHXLJOBUECVNDX-HNNXBMFYSA-N 1 0 365.481 2.271 50 0 FEAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000067973884 541534168 /nfs/dbraw/zinc/53/41/68/541534168.db2.gz NZTBSLBUAHWWBB-LBPRGKRZSA-N 1 0 368.359 2.489 50 0 FEAARO C[C@@H]1Oc2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2NC1=O ZINC000069491493 541690314 /nfs/dbraw/zinc/69/03/14/541690314.db2.gz SHQWCLLUYIQPIV-ZFWWWQNUSA-N 1 0 358.442 2.498 50 0 FEAARO CCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071419433 541767881 /nfs/dbraw/zinc/76/78/81/541767881.db2.gz ZOMZFKFHPOVMHC-QGZVFWFLSA-N 1 0 372.513 2.201 50 0 FEAARO CCn1cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071639404 541768425 /nfs/dbraw/zinc/76/84/25/541768425.db2.gz BRTOSTIJGZECKM-LJQANCHMSA-N 1 0 373.545 2.202 50 0 FEAARO COc1cc(NC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cc(-n2cnnn2)c1 ZINC000072126343 541784292 /nfs/dbraw/zinc/78/42/92/541784292.db2.gz NWGYHMHDIMFSIV-CYBMUJFWSA-N 1 0 364.409 2.000 50 0 FEAARO CN1CC[NH+](CCCNc2cc(-c3ccccc3)nc3ccnn32)CC1 ZINC000072128105 541785061 /nfs/dbraw/zinc/78/50/61/541785061.db2.gz IKJISVMSEQEYGI-UHFFFAOYSA-N 1 0 350.470 2.446 50 0 FEAARO CC(C)c1nnc2n1CCN(C(=O)c1ccccc1[C@H]1CC[NH2+]C1)CC2 ZINC000072133656 541785128 /nfs/dbraw/zinc/78/51/28/541785128.db2.gz IEWFLBKWXIFSQF-HNNXBMFYSA-N 1 0 353.470 2.177 50 0 FEAARO CC(C)C[C@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)c1ncnn1C ZINC000072129728 541785147 /nfs/dbraw/zinc/78/51/47/541785147.db2.gz NBELONLVOWRCTI-KRWDZBQOSA-N 1 0 355.486 2.118 50 0 FEAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CSc2nc[nH]n2)C1 ZINC000072135427 541786033 /nfs/dbraw/zinc/78/60/33/541786033.db2.gz WLLYRJHSYNIREC-INIZCTEOSA-N 1 0 359.499 2.062 50 0 FEAARO COc1ccc2n[nH]c(C[N@@H+]3CCC[C@H](c4cc(=O)[nH]c(C)n4)C3)c2c1 ZINC000072133889 541786321 /nfs/dbraw/zinc/78/63/21/541786321.db2.gz WMNWFMXBFQWSDU-ZDUSSCGKSA-N 1 0 353.426 2.343 50 0 FEAARO O=C(C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1)N1CCc2ccccc21 ZINC000072134491 541786366 /nfs/dbraw/zinc/78/63/66/541786366.db2.gz QJSPDOZAUWUXBM-LJQANCHMSA-N 1 0 357.498 2.153 50 0 FEAARO COc1ccc(N2CCN(Cc3cccc(CC[NH3+])c3)[C@@H](C)C2=O)cc1 ZINC000072144273 541787110 /nfs/dbraw/zinc/78/71/10/541787110.db2.gz RPOMMJBZLHPNIK-INIZCTEOSA-N 1 0 353.466 2.434 50 0 FEAARO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cc(Cl)ccc1Cl ZINC000072154648 541790898 /nfs/dbraw/zinc/79/08/98/541790898.db2.gz FGIPCWSAMITENK-HNNXBMFYSA-N 1 0 372.296 2.456 50 0 FEAARO COc1ncccc1C(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072158841 541791842 /nfs/dbraw/zinc/79/18/42/541791842.db2.gz SSUOKNVGFYBZAU-GOSISDBHSA-N 1 0 351.450 2.406 50 0 FEAARO C(=C/c1ccccc1)\CN1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072161123 541792211 /nfs/dbraw/zinc/79/22/11/541792211.db2.gz FAIAERUNNUEKOP-XBXARRHUSA-N 1 0 351.498 2.207 50 0 FEAARO Cc1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072164030 541793020 /nfs/dbraw/zinc/79/30/20/541793020.db2.gz QKFKSJBJPVEZTH-OAQYLSRUSA-N 1 0 367.424 2.110 50 0 FEAARO CC(C)[N@H+](C)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072407494 541805894 /nfs/dbraw/zinc/80/58/94/541805894.db2.gz LFYDSNAQRLJRSE-OAQYLSRUSA-N 1 0 372.513 2.153 50 0 FEAARO Cc1nc2ccccc2n1CCC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072423938 541810001 /nfs/dbraw/zinc/81/00/01/541810001.db2.gz PRXGNDOCFJERFG-UHFFFAOYSA-N 1 0 363.465 2.400 50 0 FEAARO c1cn(CC[C@H]2COc3ccccc3O2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072423612 541810245 /nfs/dbraw/zinc/81/02/45/541810245.db2.gz UHVJCPXBSHBBTC-HNNXBMFYSA-N 1 0 351.410 2.080 50 0 FEAARO NC(=O)c1cc2c(nc1N[C@@H]1CCC[N@H+](Cc3ccccn3)C1)CCC2 ZINC000072429381 541811724 /nfs/dbraw/zinc/81/17/24/541811724.db2.gz IXSHTRJXNFBHQD-MRXNPFEDSA-N 1 0 351.454 2.141 50 0 FEAARO Cc1ccc2c(c1)c(Cn1ccnc1-c1cc3n(n1)CCC[NH2+]C3)nn2C ZINC000072428312 541811913 /nfs/dbraw/zinc/81/19/13/541811913.db2.gz DYGPBMBDDQXKPE-UHFFFAOYSA-N 1 0 361.453 2.483 50 0 FEAARO C[C@@H](c1ccon1)N(C)C(=O)c1cccc2c1CN(CC[NH+](C)C)C2=O ZINC000072429677 541812081 /nfs/dbraw/zinc/81/20/81/541812081.db2.gz RUKZHTORDNVIGQ-ZDUSSCGKSA-N 1 0 356.426 2.025 50 0 FEAARO Cc1nc2c(c(NCc3ccncc3)n1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000072433004 541813512 /nfs/dbraw/zinc/81/35/12/541813512.db2.gz HANLGHUIRNUMAA-KRWDZBQOSA-N 1 0 353.470 2.229 50 0 FEAARO Cc1cc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)on1 ZINC000072436280 541813990 /nfs/dbraw/zinc/81/39/90/541813990.db2.gz VLZSJQRLPQJYPA-INIZCTEOSA-N 1 0 358.490 2.477 50 0 FEAARO CNC(=O)C1(NC(=O)c2ccc(Cl)cc2OCCC[NH3+])CCCCC1 ZINC000299771470 203759921 /nfs/dbraw/zinc/75/99/21/203759921.db2.gz YIDPZZJJYUGNBN-UHFFFAOYSA-N 1 0 367.877 2.246 50 0 FEAARO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000072457010 541817153 /nfs/dbraw/zinc/81/71/53/541817153.db2.gz UZLUJOBDCBCDNJ-QGZVFWFLSA-N 1 0 369.517 2.143 50 0 FEAARO Cc1ccc([C@@H](NC(=O)CN(C)C2CC[NH2+]CC2)c2ccncc2)cc1 ZINC000299781929 203768288 /nfs/dbraw/zinc/76/82/88/203768288.db2.gz FGDKHMWVJNVBEG-OAQYLSRUSA-N 1 0 352.482 2.279 50 0 FEAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072479488 541821769 /nfs/dbraw/zinc/82/17/69/541821769.db2.gz QRZYSCATWVRJKK-OAQYLSRUSA-N 1 0 372.513 2.201 50 0 FEAARO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OC)c1OC ZINC000001432835 204006702 /nfs/dbraw/zinc/00/67/02/204006702.db2.gz BRFPKZILQHSRTP-MRXNPFEDSA-N 1 0 353.382 2.349 50 0 FEAARO CC[NH+](CC)CCNC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000004117495 204122626 /nfs/dbraw/zinc/12/26/26/204122626.db2.gz WTRRNXVBXYJTFF-CYVLTUHYSA-N 1 0 366.465 2.311 50 0 FEAARO COc1cc(OC)c(NC(=O)CSc2nc(N)cc(N)[nH+]2)cc1Cl ZINC000004748573 204161431 /nfs/dbraw/zinc/16/14/31/204161431.db2.gz UJWJPGMMPKSGNN-UHFFFAOYSA-N 1 0 369.834 2.042 50 0 FEAARO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+](C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000006658942 204259463 /nfs/dbraw/zinc/25/94/63/204259463.db2.gz ZEHXRCCUOFHGMP-AWEZNQCLSA-N 1 0 372.465 2.425 50 0 FEAARO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2c1 ZINC000007447315 204298628 /nfs/dbraw/zinc/29/86/28/204298628.db2.gz KQBALYISJKLSDH-SFHVURJKSA-N 1 0 369.465 2.004 50 0 FEAARO CC(C)[C@@H]1SC[C@@H](C(=O)NCC[NH+](C)C)N1C(=O)c1ccc(F)cc1 ZINC000006834607 204276180 /nfs/dbraw/zinc/27/61/80/204276180.db2.gz GVKOKOLFVPXKLE-YJBOKZPZSA-N 1 0 367.490 2.043 50 0 FEAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000008165985 204320174 /nfs/dbraw/zinc/32/01/74/204320174.db2.gz DARWKJAHSUYLAC-UHFFFAOYSA-N 1 0 361.895 2.307 50 0 FEAARO Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000009515688 204372126 /nfs/dbraw/zinc/37/21/26/204372126.db2.gz GSOSHQQCMAQRFO-IBGZPJMESA-N 1 0 353.466 2.452 50 0 FEAARO O=S(=O)(c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1)N1CCOCC1 ZINC000009834599 204383536 /nfs/dbraw/zinc/38/35/36/204383536.db2.gz FMPSMVFERYPTFF-INIZCTEOSA-N 1 0 350.484 2.153 50 0 FEAARO CN1C2=C(C(=O)N(CC[NH+]3CCCCC3)C2)[C@H](c2cccc(F)c2)NC1=O ZINC000035474864 204991666 /nfs/dbraw/zinc/99/16/66/204991666.db2.gz VMQGAJYTRGHRNO-SFHVURJKSA-N 1 0 372.444 2.104 50 0 FEAARO COc1cccc(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000038643353 205041227 /nfs/dbraw/zinc/04/12/27/205041227.db2.gz XIUQWTMPBRENHZ-KRWDZBQOSA-N 1 0 360.479 2.489 50 0 FEAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cnc2c(c1)ncn2C ZINC000038534137 205041716 /nfs/dbraw/zinc/04/17/16/205041716.db2.gz OZKRAZLMOBRBLR-IRXDYDNUSA-N 1 0 350.422 2.357 50 0 FEAARO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040073510 205053056 /nfs/dbraw/zinc/05/30/56/205053056.db2.gz SQWRGPUAMPUCGT-SFHVURJKSA-N 1 0 359.514 2.172 50 0 FEAARO O=S(=O)(c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)o1)N1CCCC1 ZINC000040120007 205057249 /nfs/dbraw/zinc/05/72/49/205057249.db2.gz PNAIJEIBBRUYTN-CQSZACIVSA-N 1 0 354.472 2.065 50 0 FEAARO C[NH+](C)C1(CNC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCCC1 ZINC000040159457 205062242 /nfs/dbraw/zinc/06/22/42/205062242.db2.gz MSZBUDXOSDOSDM-UHFFFAOYSA-N 1 0 352.500 2.226 50 0 FEAARO C[NH+](C)CCNC(=O)c1csc(NC(=O)c2cccc(Cl)c2)n1 ZINC000040355238 205066556 /nfs/dbraw/zinc/06/65/56/205066556.db2.gz VVTRMOFPWLWQEN-UHFFFAOYSA-N 1 0 352.847 2.340 50 0 FEAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCNC(=O)c1nonc1N ZINC000040744466 205080633 /nfs/dbraw/zinc/08/06/33/205080633.db2.gz CEDHKOSPUYVFDW-UHFFFAOYSA-N 1 0 369.425 2.112 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000041362179 205090526 /nfs/dbraw/zinc/09/05/26/205090526.db2.gz DJDMDKXCXQLCBC-UHFFFAOYSA-N 1 0 368.319 2.135 50 0 FEAARO CC[C@@H](CNC(=O)CN(C)C(=O)c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000046246521 205134942 /nfs/dbraw/zinc/13/49/42/205134942.db2.gz VADUYEAPTQAYKZ-SFHVURJKSA-N 1 0 369.465 2.305 50 0 FEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccco1 ZINC000047954911 205151493 /nfs/dbraw/zinc/15/14/93/205151493.db2.gz MEURQAFQGRYEKJ-UHFFFAOYSA-N 1 0 356.470 2.287 50 0 FEAARO C[NH+](C)CCNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045065 205130397 /nfs/dbraw/zinc/13/03/97/205130397.db2.gz XFKBNMCZYASYBD-LJQANCHMSA-N 1 0 367.493 2.299 50 0 FEAARO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000055226516 205210859 /nfs/dbraw/zinc/21/08/59/205210859.db2.gz ZDDYYIHYNVNLBR-KRWDZBQOSA-N 1 0 369.465 2.040 50 0 FEAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000055401932 205218139 /nfs/dbraw/zinc/21/81/39/205218139.db2.gz KBOSIPKOOZNNNK-LSDHHAIUSA-N 1 0 356.470 2.092 50 0 FEAARO C[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000058218516 205264433 /nfs/dbraw/zinc/26/44/33/205264433.db2.gz QURBJHPZLYOAEZ-NSHDSACASA-N 1 0 355.232 2.044 50 0 FEAARO CCc1ccc(CN2CCN(c3nc(N(C)C)[nH+]c(C)c3C)CC2)nc1 ZINC000065460189 205351618 /nfs/dbraw/zinc/35/16/18/205351618.db2.gz UNAUEOTUCQLMEG-UHFFFAOYSA-N 1 0 354.502 2.439 50 0 FEAARO CCCC[N@H+](C)CCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000065329680 205336444 /nfs/dbraw/zinc/33/64/44/205336444.db2.gz NGQYOAGBKKYENN-UHFFFAOYSA-N 1 0 362.474 2.416 50 0 FEAARO Cc1nc(C)c(C(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)s1 ZINC000065362902 205338230 /nfs/dbraw/zinc/33/82/30/205338230.db2.gz YUCCAXPWXKVYCI-UHFFFAOYSA-N 1 0 360.487 2.300 50 0 FEAARO O=C(CC[N@@H+]1CCCC[C@H]1CCN1CCCC1=O)Nc1nccs1 ZINC000065395075 205345572 /nfs/dbraw/zinc/34/55/72/205345572.db2.gz WJMRXTQANXQFMJ-AWEZNQCLSA-N 1 0 350.488 2.339 50 0 FEAARO Cc1ccc(NCCCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)nc1 ZINC000065429655 205349698 /nfs/dbraw/zinc/34/96/98/205349698.db2.gz GXPNTLDULOBOML-UHFFFAOYSA-N 1 0 355.467 2.309 50 0 FEAARO Cc1c(C(=O)NCC(C)(C)[NH+](C)C)nnn1-c1ccc2ncccc2c1 ZINC000066817468 205367570 /nfs/dbraw/zinc/36/75/70/205367570.db2.gz AZYBQVLGAGICMT-UHFFFAOYSA-N 1 0 352.442 2.194 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC3Cc4ccccc4C3)cnn2c1 ZINC000067458340 205372686 /nfs/dbraw/zinc/37/26/86/205372686.db2.gz UNVHPFDUWFFHIM-UHFFFAOYSA-N 1 0 363.465 2.468 50 0 FEAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000067673392 205380827 /nfs/dbraw/zinc/38/08/27/205380827.db2.gz GUSCNOAMQMGLAL-CQSZACIVSA-N 1 0 370.457 2.346 50 0 FEAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000067833640 205393884 /nfs/dbraw/zinc/39/38/84/205393884.db2.gz JUKPYJKZAASFNX-PBHICJAKSA-N 1 0 361.486 2.317 50 0 FEAARO COc1ccc2cc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)c(=O)[nH]c2c1 ZINC000067674449 205382355 /nfs/dbraw/zinc/38/23/55/205382355.db2.gz URYCJCJIRNXPEK-UHFFFAOYSA-N 1 0 369.465 2.371 50 0 FEAARO O=C1NC(=O)[C@](c2ccccn2)(C2CC[NH+](C/C=C/c3ccco3)CC2)N1 ZINC000067754833 205389406 /nfs/dbraw/zinc/38/94/06/205389406.db2.gz MZYRHDDQUUWJDV-HQMUEHRGSA-N 1 0 366.421 2.135 50 0 FEAARO O=C1N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1nccs1 ZINC000067786153 205390150 /nfs/dbraw/zinc/39/01/50/205390150.db2.gz PIFVUMLWHDMAFA-IBGZPJMESA-N 1 0 370.478 2.176 50 0 FEAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CC(C)(C)C)C2=O)c1OC ZINC000067821081 205394364 /nfs/dbraw/zinc/39/43/64/205394364.db2.gz WMZOFXSCMSOSFL-FQEVSTJZSA-N 1 0 364.486 2.193 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(CN(C)CC[NH+](C)C)C2=O)cc1 ZINC000067818898 205394954 /nfs/dbraw/zinc/39/49/54/205394954.db2.gz CBBNQGYLBOZTQB-OAQYLSRUSA-N 1 0 361.530 2.157 50 0 FEAARO COCC(=O)N1CCC2(CC1)C[N@H+](Cc1c(C)cc(C)cc1C)CCN2C ZINC000067842809 205395657 /nfs/dbraw/zinc/39/56/57/205395657.db2.gz GVMKZGFGEFRSEO-UHFFFAOYSA-N 1 0 373.541 2.367 50 0 FEAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1(Nc2ccc(C)c(C)c2)CCCCC1 ZINC000067880121 205401974 /nfs/dbraw/zinc/40/19/74/205401974.db2.gz SHGQGRFKJJYARN-WMZOPIPTSA-N 1 0 372.513 2.092 50 0 FEAARO NS(=O)(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@H](C[NH3+])C3)c(F)c1 ZINC000071278541 205423651 /nfs/dbraw/zinc/42/36/51/205423651.db2.gz DUXPNFNIWGDGFK-JTQLQIEISA-N 1 0 356.806 2.056 50 0 FEAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3cccc4nccnc43)CC2)[C@H]1O ZINC000072151034 205484527 /nfs/dbraw/zinc/48/45/27/205484527.db2.gz YTYFYCMBIXXAAW-QUCCMNQESA-N 1 0 374.444 2.178 50 0 FEAARO O=C(c1ccccc1S(=O)(=O)Cc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000077302976 205586955 /nfs/dbraw/zinc/58/69/55/205586955.db2.gz CGKIESHMKWGARJ-FUHWJXTLSA-N 1 0 370.474 2.094 50 0 FEAARO [NH3+]CC(=O)Nc1nn(-c2cccc(F)c2)c2cccc(N3CCOC3=O)c21 ZINC000077407545 205596380 /nfs/dbraw/zinc/59/63/80/205596380.db2.gz ZZMSKJJZPODGJR-UHFFFAOYSA-N 1 0 369.356 2.018 50 0 FEAARO O=C1CCC2(CC[NH2+]CC2)CN1Cc1nncn1CCc1ccccc1 ZINC000092061894 205713793 /nfs/dbraw/zinc/71/37/93/205713793.db2.gz WIYQKMZRPKHMIW-UHFFFAOYSA-N 1 0 353.470 2.013 50 0 FEAARO CCN1CCO[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000072957132 541896741 /nfs/dbraw/zinc/89/67/41/541896741.db2.gz UUEVMRZMYBTPJJ-FQEVSTJZSA-N 1 0 359.514 2.255 50 0 FEAARO O=C(NC[C@H]1C[NH2+]CCOC1)Nc1ccc(OCc2ccccn2)cc1 ZINC000097638023 205920294 /nfs/dbraw/zinc/92/02/94/205920294.db2.gz RBSXZPDWGNWREM-OAHLLOKOSA-N 1 0 356.426 2.018 50 0 FEAARO Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097773067 205926672 /nfs/dbraw/zinc/92/66/72/205926672.db2.gz YUCMMRWBGJIAPB-UHFFFAOYSA-N 1 0 373.526 2.308 50 0 FEAARO COc1ccccc1N1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC000106161291 206013380 /nfs/dbraw/zinc/01/33/80/206013380.db2.gz HAJDQSOMGWCZLP-IRXDYDNUSA-N 1 0 373.497 2.285 50 0 FEAARO COc1cccc(NC2CC[NH+](CCn3nc4ccccn4c3=O)CC2)c1 ZINC000110036183 206069980 /nfs/dbraw/zinc/06/99/80/206069980.db2.gz IXWTXHWRPFASRT-UHFFFAOYSA-N 1 0 367.453 2.081 50 0 FEAARO Cc1cc(=O)c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)nn1-c1ccccc1 ZINC000046878912 206080443 /nfs/dbraw/zinc/08/04/43/206080443.db2.gz CJCQCWWRDVBVEZ-HNNXBMFYSA-N 1 0 354.454 2.003 50 0 FEAARO Cc1cccc(C[NH+]2CCC(NC(=O)CNC(=O)C3CCCC3)CC2)c1 ZINC000048375230 206084379 /nfs/dbraw/zinc/08/43/79/206084379.db2.gz XMDSFNQSJYGSHK-UHFFFAOYSA-N 1 0 357.498 2.382 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000237317420 206100379 /nfs/dbraw/zinc/10/03/79/206100379.db2.gz PVRSUMDUYZEYCG-GFCCVEGCSA-N 1 0 361.305 2.378 50 0 FEAARO Cc1nc(CN2CCC(C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)cs1 ZINC000237398236 206102043 /nfs/dbraw/zinc/10/20/43/206102043.db2.gz KMNUBIXIZGGNLP-CXAGYDPISA-N 1 0 350.532 2.249 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000237500627 206105514 /nfs/dbraw/zinc/10/55/14/206105514.db2.gz BMFNVJIQZWIONK-NWDGAFQWSA-N 1 0 350.850 2.069 50 0 FEAARO Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCC[NH2+]CC1 ZINC000237603607 206106142 /nfs/dbraw/zinc/10/61/42/206106142.db2.gz PATSCLHMPHDAOZ-UHFFFAOYSA-N 1 0 350.825 2.468 50 0 FEAARO COc1cc(C(=O)N(C)C2CC[NH2+]CC2)cc(OC)c1Br ZINC000237226624 206094496 /nfs/dbraw/zinc/09/44/96/206094496.db2.gz UDOPJEZSAAYOGH-UHFFFAOYSA-N 1 0 357.248 2.290 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000956952 206142898 /nfs/dbraw/zinc/14/28/98/206142898.db2.gz HSMJYLZRWNTLPA-UHFFFAOYSA-N 1 0 353.488 2.233 50 0 FEAARO O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1[nH]nc2ccccc21 ZINC000012574971 206294143 /nfs/dbraw/zinc/29/41/43/206294143.db2.gz SNKSTQWDLLABPT-HNNXBMFYSA-N 1 0 356.451 2.428 50 0 FEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(F)cc(Br)c1 ZINC000106530976 206310731 /nfs/dbraw/zinc/31/07/31/206310731.db2.gz FBMPDFSKWVUAEU-KBPBESRZSA-N 1 0 357.223 2.181 50 0 FEAARO COc1cccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019363162 206326704 /nfs/dbraw/zinc/32/67/04/206326704.db2.gz QSNBCOHZJJNOMI-LJQANCHMSA-N 1 0 356.466 2.253 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[NH+]3CCC4(CC3)OCCC[C@H]4O)cc2c1 ZINC000215447079 206347138 /nfs/dbraw/zinc/34/71/38/206347138.db2.gz DJUIPJGAGQDZJM-GOSISDBHSA-N 1 0 358.438 2.043 50 0 FEAARO O=C(NCCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1)c1ccc(F)cc1 ZINC000216303103 206358614 /nfs/dbraw/zinc/35/86/14/206358614.db2.gz NPUHFRWVQLZUIR-GOSISDBHSA-N 1 0 369.440 2.453 50 0 FEAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)c1cc3ccccc3s1)CC2 ZINC000217141861 206362230 /nfs/dbraw/zinc/36/22/30/206362230.db2.gz MMQSVYAGQIZBQO-UHFFFAOYSA-N 1 0 357.479 2.328 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022778414 206392611 /nfs/dbraw/zinc/39/26/11/206392611.db2.gz PTSLJLVCAKADSV-HXUWFJFHSA-N 1 0 353.466 2.414 50 0 FEAARO C[NH+]1CCC(CNC(=O)Cn2nc3ccccc3n2)(c2ccccc2)CC1 ZINC000219914067 206394260 /nfs/dbraw/zinc/39/42/60/206394260.db2.gz XTNILJAKVJHGFD-UHFFFAOYSA-N 1 0 363.465 2.211 50 0 FEAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000075541451 542186238 /nfs/dbraw/zinc/18/62/38/542186238.db2.gz XXUVJVRLLUPYEM-CQSZACIVSA-N 1 0 363.527 2.107 50 0 FEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000077338640 542368472 /nfs/dbraw/zinc/36/84/72/542368472.db2.gz LDNVCHSLYQWWAD-HXUWFJFHSA-N 1 0 355.457 2.430 50 0 FEAARO CCOC(=O)c1ccc(OCCC[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000077341822 542369307 /nfs/dbraw/zinc/36/93/07/542369307.db2.gz XAMXXJDATSNLDO-UHFFFAOYSA-N 1 0 360.454 2.234 50 0 FEAARO Cc1ccccc1CSCC(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077454805 542384521 /nfs/dbraw/zinc/38/45/21/542384521.db2.gz DUOTVVTYQFBDHO-HXUWFJFHSA-N 1 0 373.566 2.467 50 0 FEAARO Cc1cc(N2CCCN(C(=O)[C@H](O)COc3ccccc3C)CC2)cc[nH+]1 ZINC000077457040 542385118 /nfs/dbraw/zinc/38/51/18/542385118.db2.gz GWRQXFBWJGXTCF-LJQANCHMSA-N 1 0 369.465 2.177 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](CCOc3ccc(F)cc3)C2)CN1CCCO ZINC000077470208 542386217 /nfs/dbraw/zinc/38/62/17/542386217.db2.gz JACMOGVWGZABCB-HXUWFJFHSA-N 1 0 364.461 2.292 50 0 FEAARO COC[C@@H](C)n1c(CCCC(=O)N2CCC[N@H+](C)CC2)nc2cccnc21 ZINC000077535184 542393835 /nfs/dbraw/zinc/39/38/35/542393835.db2.gz MOOUNTAREZNCDY-MRXNPFEDSA-N 1 0 373.501 2.126 50 0 FEAARO Cc1ccccc1[C@@H](C(=O)NCc1c(C)ncc2c1CC[NH2+]C2)N(C)C ZINC000077534814 542393900 /nfs/dbraw/zinc/39/39/00/542393900.db2.gz WURXRWOVVISRMB-FQEVSTJZSA-N 1 0 352.482 2.263 50 0 FEAARO Cc1nn(C)c(C)c1CCC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082087874 542682966 /nfs/dbraw/zinc/68/29/66/542682966.db2.gz JTMOWOWHNCDZGE-UHFFFAOYSA-N 1 0 355.486 2.412 50 0 FEAARO Cc1cn2cc(C(=O)N3CCCN(CCC[NH+]4CCCC4)CC3)ccc2n1 ZINC000082162051 542686533 /nfs/dbraw/zinc/68/65/33/542686533.db2.gz IJIGFLBKWOPUGF-UHFFFAOYSA-N 1 0 369.513 2.277 50 0 FEAARO CCCc1cncnc1N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091452626 132201694 /nfs/dbraw/zinc/20/16/94/132201694.db2.gz AFCXHQFYCKQSLJ-NRFANRHFSA-N 1 0 371.529 2.342 50 0 FEAARO O=c1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)[nH]c2ccc(F)cc12 ZINC000095379980 132209450 /nfs/dbraw/zinc/20/94/50/132209450.db2.gz VOHMQAPHLDFFJR-AWEZNQCLSA-N 1 0 353.401 2.216 50 0 FEAARO CC(C)[NH+]1CCN(c2ccc(C(=O)O[C@H]3C(=O)OCC3(C)C)cc2)CC1 ZINC000095456260 132211252 /nfs/dbraw/zinc/21/12/52/132211252.db2.gz YVTDRBOMGQHJIS-KRWDZBQOSA-N 1 0 360.454 2.325 50 0 FEAARO Cc1cccc(C[NH+]2CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)c1 ZINC000095521155 132213802 /nfs/dbraw/zinc/21/38/02/132213802.db2.gz IDBKFAMXZCVSLT-IBGZPJMESA-N 1 0 367.497 2.068 50 0 FEAARO Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc(SCCO)cc2)CC1 ZINC000220349168 132275653 /nfs/dbraw/zinc/27/56/53/132275653.db2.gz CCGQAMJHTGXMJO-UHFFFAOYSA-N 1 0 357.479 2.437 50 0 FEAARO CCOc1ccc(S(=O)(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1C ZINC000090608994 542786588 /nfs/dbraw/zinc/78/65/88/542786588.db2.gz YWZGPDUBIIEPQF-OAHLLOKOSA-N 1 0 372.556 2.452 50 0 FEAARO O=C(c1ccc(CO)o1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091476090 542809522 /nfs/dbraw/zinc/80/95/22/542809522.db2.gz GDHQKKFPTFRKQV-MAUKXSAKSA-N 1 0 366.461 2.476 50 0 FEAARO O=C(c1ncccc1O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091526921 542811577 /nfs/dbraw/zinc/81/15/77/542811577.db2.gz PFWMFWPOWCVIFB-MAUKXSAKSA-N 1 0 363.461 2.491 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cc(C)n[nH]2)C3)cc1 ZINC000091594367 542815075 /nfs/dbraw/zinc/81/50/75/542815075.db2.gz IPWUHUISAVMYIO-DLBZAZTESA-N 1 0 354.454 2.463 50 0 FEAARO CCCCCC[NH+]1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O ZINC000091663493 542818750 /nfs/dbraw/zinc/81/87/50/542818750.db2.gz NTFLENGLMNLDDS-UHFFFAOYSA-N 1 0 354.520 2.099 50 0 FEAARO COCCCN1CCC[C@@]2(CC[N@H+](Cc3c(C)nc4ccccn43)C2)C1=O ZINC000091664438 542819064 /nfs/dbraw/zinc/81/90/64/542819064.db2.gz OWNWXFISIBRKCR-NRFANRHFSA-N 1 0 370.497 2.494 50 0 FEAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(S(=O)(=O)N(C)C)CC2)C1 ZINC000091713529 542821531 /nfs/dbraw/zinc/82/15/31/542821531.db2.gz WSNHQDVPWJRLKP-GOSISDBHSA-N 1 0 365.543 2.384 50 0 FEAARO CN1CC[C@@]2(CN(c3nnc(-c4ccccc4)s3)CC[N@@H+]2C)CCC1=O ZINC000091755656 542823534 /nfs/dbraw/zinc/82/35/34/542823534.db2.gz BMNIYDGLQYULDD-LJQANCHMSA-N 1 0 371.510 2.338 50 0 FEAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3cccc(C)n3)CC2)n1C ZINC000091781695 542826187 /nfs/dbraw/zinc/82/61/87/542826187.db2.gz IHFTVQISRFVUDT-UHFFFAOYSA-N 1 0 365.485 2.451 50 0 FEAARO CN(C)C(=O)CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091770314 542824947 /nfs/dbraw/zinc/82/49/47/542824947.db2.gz ZRUZCDBXFXEDCY-VQTJNVASSA-N 1 0 371.525 2.410 50 0 FEAARO C[N@H+](CCO)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091872786 542830079 /nfs/dbraw/zinc/83/00/79/542830079.db2.gz KOWKFMGTCLODFY-HZPDHXFCSA-N 1 0 362.445 2.050 50 0 FEAARO CC(C)(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)N1CCOCC1 ZINC000092065946 542842787 /nfs/dbraw/zinc/84/27/87/542842787.db2.gz DCWGPDANSPORDA-AZUAARDMSA-N 1 0 358.530 2.089 50 0 FEAARO COc1cccc(C[NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000058444811 136131851 /nfs/dbraw/zinc/13/18/51/136131851.db2.gz WSNBFSFNOALRNM-UHFFFAOYSA-N 1 0 355.438 2.260 50 0 FEAARO CN1CC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095370947 542962872 /nfs/dbraw/zinc/96/28/72/542962872.db2.gz XJGQYFQKKMPMAM-IBGZPJMESA-N 1 0 369.509 2.337 50 0 FEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1C ZINC000071745635 136139869 /nfs/dbraw/zinc/13/98/69/136139869.db2.gz NGMGQCHAJXNUDP-GOSISDBHSA-N 1 0 371.529 2.397 50 0 FEAARO COc1ccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)c(OC)c1OC ZINC000095374824 542963968 /nfs/dbraw/zinc/96/39/68/542963968.db2.gz RPFUOYQSVKQPHN-MRXNPFEDSA-N 1 0 351.443 2.218 50 0 FEAARO O=C(NCCNC(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccc(F)cc1 ZINC000095358652 542958997 /nfs/dbraw/zinc/95/89/97/542958997.db2.gz OUHARNZDWVPPAN-INIZCTEOSA-N 1 0 361.461 2.326 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000095366997 542960550 /nfs/dbraw/zinc/96/05/50/542960550.db2.gz LLCATDMJRDTWSH-IBGZPJMESA-N 1 0 357.498 2.164 50 0 FEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(Cc1cscn1)C2 ZINC000095381841 542965119 /nfs/dbraw/zinc/96/51/19/542965119.db2.gz IAEQJKLLCPFGFG-QRQLOZEOSA-N 1 0 365.543 2.483 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000095479448 542973464 /nfs/dbraw/zinc/97/34/64/542973464.db2.gz DISANZGFEWAPDF-CQSZACIVSA-N 1 0 358.442 2.308 50 0 FEAARO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)o1 ZINC000095498164 542974489 /nfs/dbraw/zinc/97/44/89/542974489.db2.gz LVGCRAFQPXIXMJ-MRXNPFEDSA-N 1 0 359.474 2.459 50 0 FEAARO CCCn1ncc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095502805 542975180 /nfs/dbraw/zinc/97/51/80/542975180.db2.gz CXRPFGFQAYBGCO-QGZVFWFLSA-N 1 0 372.517 2.379 50 0 FEAARO Fc1cnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000095507006 542975841 /nfs/dbraw/zinc/97/58/41/542975841.db2.gz SCOJXTAETIOLHA-KFKAGJAMSA-N 1 0 368.412 2.411 50 0 FEAARO CN(Cc1cc2ccccc2s1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095512986 542977859 /nfs/dbraw/zinc/97/78/59/542977859.db2.gz ZWKPMVJUVGEFHU-CABCVRRESA-N 1 0 357.479 2.213 50 0 FEAARO CC[NH+](CC)CCOCCNC(=O)Nc1cc(C(=O)N(C)C)ccc1C ZINC000095939497 542983616 /nfs/dbraw/zinc/98/36/16/542983616.db2.gz KDIIXLUIACNAHC-UHFFFAOYSA-N 1 0 364.490 2.177 50 0 FEAARO COC(=O)c1coc(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000095940217 542983677 /nfs/dbraw/zinc/98/36/77/542983677.db2.gz NVNNSINBKMFKPP-ZIAGYGMSSA-N 1 0 364.442 2.028 50 0 FEAARO COc1cc(NC(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)ccc1F ZINC000096149289 542993407 /nfs/dbraw/zinc/99/34/07/542993407.db2.gz OYYTYXLDSHPNQP-UHFFFAOYSA-N 1 0 350.438 2.078 50 0 FEAARO COCCOCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000096139986 542993869 /nfs/dbraw/zinc/99/38/69/542993869.db2.gz IPFSSOFRFXWBSU-LJQANCHMSA-N 1 0 360.498 2.378 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC(=O)OC12CCCCC2 ZINC000097137678 543005527 /nfs/dbraw/zinc/00/55/27/543005527.db2.gz RIZVOSLSDWVVDN-GOSISDBHSA-N 1 0 371.481 2.428 50 0 FEAARO CN1CCN([C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)cc3)C[C@@H]2O)CC1 ZINC000097474926 543012341 /nfs/dbraw/zinc/01/23/41/543012341.db2.gz PZLZCDMMPNUFNM-VXKWHMMOSA-N 1 0 369.484 2.285 50 0 FEAARO Cc1ccc2c(cc(C(=O)NCC[C@@H]3CCC(=O)N3CC[NH+](C)C)n2C)c1 ZINC000097681838 543014689 /nfs/dbraw/zinc/01/46/89/543014689.db2.gz MIKRWMXXFHEURU-KRWDZBQOSA-N 1 0 370.497 2.159 50 0 FEAARO COc1ccccc1Oc1ccc(NC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2OC)cn1 ZINC000097657248 543014779 /nfs/dbraw/zinc/01/47/79/543014779.db2.gz GYSLRFOIQCXBQU-YOEHRIQHSA-N 1 0 372.425 2.333 50 0 FEAARO CN1C[C@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCC1=O ZINC000097730264 543015918 /nfs/dbraw/zinc/01/59/18/543015918.db2.gz AJZOVKHNAJXQDE-LJQANCHMSA-N 1 0 357.498 2.022 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)CC1 ZINC000097785430 543016991 /nfs/dbraw/zinc/01/69/91/543016991.db2.gz VEMWFKGSFMTYAZ-OAHLLOKOSA-N 1 0 365.474 2.195 50 0 FEAARO COc1ccccc1[C@H]1[NH+]=C(N2CCCCC2)Nc2nc(C)cc(=O)n21 ZINC000101391958 543027115 /nfs/dbraw/zinc/02/71/15/543027115.db2.gz SOQLJMCDWYAYOV-KRWDZBQOSA-N 1 0 353.426 2.375 50 0 FEAARO COc1ccc(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)cc1 ZINC000102234291 543063756 /nfs/dbraw/zinc/06/37/56/543063756.db2.gz NOFXSVMICWNMAP-KDURUIRLSA-N 1 0 350.418 2.312 50 0 FEAARO CC1(C)CCCC[C@@H]1[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000119774281 543672202 /nfs/dbraw/zinc/67/22/02/543672202.db2.gz UBHYDUWBMDNKCI-HNNXBMFYSA-N 1 0 363.487 2.124 50 0 FEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCC(c2ccncc2)CC1 ZINC000426635547 263648682 /nfs/dbraw/zinc/64/86/82/263648682.db2.gz TYVJFNIMJJJPCW-GOSISDBHSA-N 1 0 353.470 2.151 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)NCCc2ccc(C(F)(F)F)cc2)C1 ZINC000426701597 263660881 /nfs/dbraw/zinc/66/08/81/263660881.db2.gz LPBQPCRXNFKFLZ-HNNXBMFYSA-N 1 0 373.419 2.468 50 0 FEAARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000187452933 328026395 /nfs/dbraw/zinc/02/63/95/328026395.db2.gz SLEUGZYUAGQCND-RBUKOAKNSA-N 1 0 359.514 2.496 50 0 FEAARO O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000193001681 328351595 /nfs/dbraw/zinc/35/15/95/328351595.db2.gz DANAAZPRJHSGQE-KRWDZBQOSA-N 1 0 368.499 2.220 50 0 FEAARO CC(=O)NCc1cc2n(n1)CCN(Cc1ccccc1OC(F)(F)F)C2 ZINC000082096863 519674465 /nfs/dbraw/zinc/67/44/65/519674465.db2.gz XQBCBIKUBHFDPF-UHFFFAOYSA-N 1 0 368.359 2.434 50 0 FEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)COc3ccc(F)cc3)cc2C1 ZINC000082096795 519732108 /nfs/dbraw/zinc/73/21/08/519732108.db2.gz OFRDHGZNIHTBTN-UHFFFAOYSA-N 1 0 360.433 2.189 50 0 FEAARO CC(C)S(=O)(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082106563 519787175 /nfs/dbraw/zinc/78/71/75/519787175.db2.gz LAFJKBNYKZIGRO-UHFFFAOYSA-N 1 0 354.520 2.249 50 0 FEAARO COC(=O)/C(=C/c1c(C)onc1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000214082599 522738913 /nfs/dbraw/zinc/73/89/13/522738913.db2.gz NPUNCARCBCABAU-GHRIWEEISA-N 1 0 355.438 2.454 50 0 FEAARO CN(Cc1nccs1)C(=O)c1ccc([C@@H]2CCCN2C(=O)C[NH3+])s1 ZINC000020450981 523599519 /nfs/dbraw/zinc/59/95/19/523599519.db2.gz XQQRDGDUMLSPHB-NSHDSACASA-N 1 0 364.496 2.099 50 0 FEAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCSc1nnc(-c3ccncc3)o1)C2 ZINC000091690124 524026513 /nfs/dbraw/zinc/02/65/13/524026513.db2.gz SQYCLJKEIPMYBZ-DZGCQCFKSA-N 1 0 373.482 2.166 50 0 FEAARO Cc1cccc(S(=O)(=O)NCCNc2cc(-n3cccc3)nc(C)[nH+]2)c1 ZINC000090607847 524798488 /nfs/dbraw/zinc/79/84/88/524798488.db2.gz OEGWRBRQJQYYPN-UHFFFAOYSA-N 1 0 371.466 2.275 50 0 FEAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000089904597 524881322 /nfs/dbraw/zinc/88/13/22/524881322.db2.gz NISWIWGUZDURQW-CXAGYDPISA-N 1 0 350.459 2.116 50 0 FEAARO Cc1ccccc1OC[C@H]1CCCN(C(=O)CN(C)C2CC[NH2+]CC2)C1 ZINC000082170639 525315194 /nfs/dbraw/zinc/31/51/94/525315194.db2.gz BFAVNTZBXWMJCQ-SFHVURJKSA-N 1 0 359.514 2.296 50 0 FEAARO Cc1cc([C@@H]2CCCCN2C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)no1 ZINC000243893873 525486744 /nfs/dbraw/zinc/48/67/44/525486744.db2.gz AUWJTPDQGTUIOC-VBQJREDUSA-N 1 0 358.446 2.384 50 0 FEAARO O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091439938 526588410 /nfs/dbraw/zinc/58/84/10/526588410.db2.gz NYBMVZZRYLJKOU-KRWDZBQOSA-N 1 0 370.453 2.109 50 0 FEAARO NC(=O)NCc1cn(CC2CC[NH+](Cc3ccc(Cl)s3)CC2)nn1 ZINC000020453696 526941083 /nfs/dbraw/zinc/94/10/83/526941083.db2.gz SBABQSZZLPYZGS-UHFFFAOYSA-N 1 0 368.894 2.074 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000158233898 527347132 /nfs/dbraw/zinc/34/71/32/527347132.db2.gz IKQGEASPDPOERJ-VXGBXAGGSA-N 1 0 356.253 2.296 50 0 FEAARO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000269229495 527356800 /nfs/dbraw/zinc/35/68/00/527356800.db2.gz HQBUMUOATUSKEL-HDMKZQKVSA-N 1 0 365.905 2.347 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[C@@H](Cc4ccccc4)C3)nn2)CC1 ZINC000244763866 527412586 /nfs/dbraw/zinc/41/25/86/527412586.db2.gz OWUXHUXUHWXPES-OKZBNKHCSA-N 1 0 353.470 2.425 50 0 FEAARO CCc1c(C)nc(C)nc1N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000107419311 536069394 /nfs/dbraw/zinc/06/93/94/536069394.db2.gz PCIKKHFUMGGWNH-HXUWFJFHSA-N 1 0 359.518 2.179 50 0 FEAARO CNC(=O)c1ccc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000082096446 536424793 /nfs/dbraw/zinc/42/47/93/536424793.db2.gz JBAQHXSBRIMBQC-UHFFFAOYSA-N 1 0 364.449 2.127 50 0 FEAARO O=C(NC[C@@H]1COC2(CCCCCC2)O1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000170592324 546162363 /nfs/dbraw/zinc/16/23/63/546162363.db2.gz IJFFBLWFVWDCFG-QZTJIDSGSA-N 1 0 366.502 2.212 50 0 FEAARO O=C(NCC1CCN(CC(F)(F)F)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000186766147 548188698 /nfs/dbraw/zinc/18/86/98/548188698.db2.gz QXPUIODGQFXHHD-OAHLLOKOSA-N 1 0 362.440 2.140 50 0 FEAARO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000188015770 548269035 /nfs/dbraw/zinc/26/90/35/548269035.db2.gz VSTIIEODRVXQOY-ZIAGYGMSSA-N 1 0 354.882 2.153 50 0 FEAARO C[C@@H](C(=O)NCc1nc(N(C)C)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000193891938 548402119 /nfs/dbraw/zinc/40/21/19/548402119.db2.gz YTZGWDXSDPTHJG-HNNXBMFYSA-N 1 0 371.485 2.095 50 0 FEAARO O=C(CC[NH+]1Cc2ccccc2C1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 ZINC000220433386 548699480 /nfs/dbraw/zinc/69/94/80/548699480.db2.gz KLHVECDSMAMWQL-RTBURBONSA-N 1 0 367.449 2.140 50 0 FEAARO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCOC[C@H]2Oc2cccc(F)c2)CC1 ZINC000222898904 548712830 /nfs/dbraw/zinc/71/28/30/548712830.db2.gz WRYLDUCBACJQIT-RTBURBONSA-N 1 0 362.445 2.353 50 0 FEAARO O=S(=O)(Cc1cccc(Cl)c1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222934782 548714508 /nfs/dbraw/zinc/71/45/08/548714508.db2.gz LCIXTJNCEHYYOP-YYIAUSFCSA-N 1 0 370.902 2.011 50 0 FEAARO CCn1ccc2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC[NH+](C)C)ccc21 ZINC000223238302 548717489 /nfs/dbraw/zinc/71/74/89/548717489.db2.gz JJTPZVYRQCZFQP-IEBWSBKVSA-N 1 0 359.470 2.127 50 0 FEAARO Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc2c(c1)nc(C1CC1)n2C ZINC000225830789 548744057 /nfs/dbraw/zinc/74/40/57/548744057.db2.gz RGVXAAAMHRJQKW-UHFFFAOYSA-N 1 0 373.482 2.280 50 0 FEAARO COc1c(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c(C)nn1C ZINC000237200551 548808051 /nfs/dbraw/zinc/80/80/51/548808051.db2.gz RULCZFUQTJKOQV-UHFFFAOYSA-N 1 0 351.834 2.494 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237238032 548810989 /nfs/dbraw/zinc/81/09/89/548810989.db2.gz DYVOQFUIRPLUNB-UPJWGTAASA-N 1 0 360.376 2.031 50 0 FEAARO O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)c1ccc(Cl)s1 ZINC000244715950 548892933 /nfs/dbraw/zinc/89/29/33/548892933.db2.gz LFKLYZXUTFZWBS-CHWSQXEVSA-N 1 0 351.859 2.162 50 0 FEAARO CCn1c(CN(C)Cc2noc(C3CCCC3)n2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244742145 548894900 /nfs/dbraw/zinc/89/49/00/548894900.db2.gz OCQKUEDFYUWNHO-OKILXGFUSA-N 1 0 359.478 2.175 50 0 FEAARO O=C(CCn1cnc2ccccc21)N1CCC([NH+]2CCSCC2)CC1 ZINC000244748763 548895355 /nfs/dbraw/zinc/89/53/55/548895355.db2.gz ONZKPUAYUDSSRK-UHFFFAOYSA-N 1 0 358.511 2.466 50 0 FEAARO Cc1nc2ccccc2n1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000244774105 548895439 /nfs/dbraw/zinc/89/54/39/548895439.db2.gz POCPVVCHRGMAKO-HKUYNNGSSA-N 1 0 356.470 2.104 50 0 FEAARO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245423029 548914476 /nfs/dbraw/zinc/91/44/76/548914476.db2.gz JDSWCGYKHWNKDT-ZIFCJYIRSA-N 1 0 365.481 2.207 50 0 FEAARO CC(C)CCn1ncc(C(=O)NCC2CC[NH+](CCO)CC2)c1C(C)C ZINC000252482883 549667714 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ZINC000299765332 553611575 /nfs/dbraw/zinc/61/15/75/553611575.db2.gz FOBCFXGIFJYRGS-QGZVFWFLSA-N 1 0 368.481 2.459 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)ncn3C)C[C@H]1CCO ZINC000299773575 553613307 /nfs/dbraw/zinc/61/33/07/553613307.db2.gz DKENRURMOHLFJJ-MRXNPFEDSA-N 1 0 359.474 2.130 50 0 FEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)COCC(F)(F)C(F)F ZINC000299773000 553613421 /nfs/dbraw/zinc/61/34/21/553613421.db2.gz BOHXQMWJQONLBT-CQSZACIVSA-N 1 0 362.367 2.419 50 0 FEAARO CCc1c(-c2cccc(C(=O)NC[C@H]3CC[N@H+](CCOC)C3)c2)cnn1C ZINC000299781143 553613979 /nfs/dbraw/zinc/61/39/79/553613979.db2.gz OEYWJQKVFTTXBO-MRXNPFEDSA-N 1 0 370.497 2.348 50 0 FEAARO CN1C[C@@]2(CCN(C(=O)CC3CC[NH+](Cc4ccccc4)CC3)C2)OC1=O ZINC000299786809 553614396 /nfs/dbraw/zinc/61/43/96/553614396.db2.gz PQZXSITZVXVSNT-OAQYLSRUSA-N 1 0 371.481 2.342 50 0 FEAARO CN(C)c1cccc(-c2cccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)c2)c1 ZINC000299785183 553614530 /nfs/dbraw/zinc/61/45/30/553614530.db2.gz ZZVLJTXNLQVALT-OAQYLSRUSA-N 1 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ZINC000426503490 559736073 /nfs/dbraw/zinc/73/60/73/559736073.db2.gz WBPRWNWRZJYVGR-CQSZACIVSA-N 1 0 369.469 2.235 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CC[C@H](O)CC(C)(C)C2)c1 ZINC000426527911 559736999 /nfs/dbraw/zinc/73/69/99/559736999.db2.gz OGWKPXSHWJUCKY-AWEZNQCLSA-N 1 0 350.459 2.046 50 0 FEAARO Cc1nnc(CN(C)C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000426551110 559737516 /nfs/dbraw/zinc/73/75/16/559737516.db2.gz LNFNOMYICGXTGZ-QGZVFWFLSA-N 1 0 357.458 2.399 50 0 FEAARO COc1ccc2[nH]c(CNC(=O)Cn3nccc3[C@@H]3CCC[NH2+]C3)cc2c1 ZINC000426547595 559737647 /nfs/dbraw/zinc/73/76/47/559737647.db2.gz IDLVTJSQHOMLAZ-CQSZACIVSA-N 1 0 367.453 2.156 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000426597156 559738643 /nfs/dbraw/zinc/73/86/43/559738643.db2.gz BXIBNNVCCOMKHV-KRWDZBQOSA-N 1 0 373.428 2.380 50 0 FEAARO Cn1ccnc1-c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000426677912 559740117 /nfs/dbraw/zinc/74/01/17/559740117.db2.gz YECJDOUVJRQLRY-IBGZPJMESA-N 1 0 368.481 2.460 50 0 FEAARO Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)c2cccnc12 ZINC000426738964 559741211 /nfs/dbraw/zinc/74/12/11/559741211.db2.gz BBVSQSCKVQVXQS-IBGZPJMESA-N 1 0 352.482 2.376 50 0 FEAARO CCC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3cccc(OC)c3)CC2)C1 ZINC000534579719 562537290 /nfs/dbraw/zinc/53/72/90/562537290.db2.gz IYRQMCYLPRUXIQ-IBGZPJMESA-N 1 0 374.529 2.397 50 0 FEAARO C[C@H](CCNC(=O)N1CCC(Cc2cccnc2)CC1)[NH+]1CCN(C)CC1 ZINC000534592754 562537669 /nfs/dbraw/zinc/53/76/69/562537669.db2.gz JMIFDYPTWDIDHY-GOSISDBHSA-N 1 0 373.545 2.072 50 0 FEAARO CCn1cc(-c2ccc(C(=O)NC[C@@H]3CC[N@H+](CCOC)C3)cc2)cn1 ZINC000534660377 562539605 /nfs/dbraw/zinc/53/96/05/562539605.db2.gz YAEKSYJTDHCCAC-INIZCTEOSA-N 1 0 356.470 2.268 50 0 FEAARO CN1C(=O)C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000100567232 570505461 /nfs/dbraw/zinc/50/54/61/570505461.db2.gz FKXDZSDKDAXBHA-LJQANCHMSA-N 1 0 363.461 2.151 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc(OC)cc(OC)n2)cc1 ZINC000426477665 570606432 /nfs/dbraw/zinc/60/64/32/570606432.db2.gz DGXBSELZKJQTAC-INIZCTEOSA-N 1 0 370.453 2.375 50 0 FEAARO Cc1cccc(C[NH+]2CCN(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)CC2)c1 ZINC000102843293 570840259 /nfs/dbraw/zinc/84/02/59/570840259.db2.gz HPBSPOJSBVHGDO-OALUTQOASA-N 1 0 353.466 2.021 50 0 FEAARO COc1ccc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1O ZINC000104461660 570860067 /nfs/dbraw/zinc/86/00/67/570860067.db2.gz AJELSKVJHJZEHQ-LJQANCHMSA-N 1 0 371.481 2.173 50 0 FEAARO O=S(=O)(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc(-c2ccccc2)cc1 ZINC000670470881 571043396 /nfs/dbraw/zinc/04/33/96/571043396.db2.gz CQJOPDUUNXWSLW-LJQANCHMSA-N 1 0 374.506 2.479 50 0 FEAARO COc1ccc(/C=C/C(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC ZINC000575615644 571169270 /nfs/dbraw/zinc/16/92/70/571169270.db2.gz GQLBLEPRZGUYJV-MJICGBHWSA-N 1 0 374.481 2.334 50 0 FEAARO COc1cc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)ccc1OCC[NH3+] ZINC000426425478 571223915 /nfs/dbraw/zinc/22/39/15/571223915.db2.gz RLIUFRVXWOGLTL-INIZCTEOSA-N 1 0 372.469 2.090 50 0 FEAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)C(C)C)CC3)C2)CC1 ZINC000581820232 571292796 /nfs/dbraw/zinc/29/27/96/571292796.db2.gz ZYQPRDJSIFXGAG-IBGZPJMESA-N 1 0 365.562 2.456 50 0 FEAARO Cc1ccccc1OC1CN(C(=O)NC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000584891331 571314613 /nfs/dbraw/zinc/31/46/13/571314613.db2.gz BGGZWRHUXXRUAO-UHFFFAOYSA-N 1 0 373.497 2.411 50 0 FEAARO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000584900653 571316174 /nfs/dbraw/zinc/31/61/74/571316174.db2.gz YTZJSWZDXJFMPS-OAHLLOKOSA-N 1 0 371.403 2.403 50 0 FEAARO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ncc(Br)cn1 ZINC000624111731 676565208 /nfs/dbraw/zinc/56/52/08/676565208.db2.gz CTRBBQKMDUPQJW-NEPJUHHUSA-N 1 0 370.295 2.331 50 0 FEAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000000895241 539335130 /nfs/dbraw/zinc/33/51/30/539335130.db2.gz MSKVNYIGOHPCBS-CQSZACIVSA-N 1 0 364.442 2.308 50 0 FEAARO N=C(NC(N)=[NH2+])Nc1c(Br)cc(F)cc1Br ZINC000001044708 539338367 /nfs/dbraw/zinc/33/83/67/539338367.db2.gz VUINHVIEKBVXMI-UHFFFAOYSA-N 1 0 352.993 2.180 50 0 FEAARO COC(=O)c1cccc(OC[C@@H](O)C[n+]2c(C)n(C)c3ccccc32)c1 ZINC000001215685 539340191 /nfs/dbraw/zinc/34/01/91/539340191.db2.gz PLCFULCUUCUDKR-INIZCTEOSA-N 1 0 355.414 2.001 50 0 FEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 ZINC000008814420 539492933 /nfs/dbraw/zinc/49/29/33/539492933.db2.gz XMSSYTWXYPOZMV-UHFFFAOYSA-N 1 0 358.452 2.495 50 0 FEAARO CC(C)[N@H+](CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000011036689 539523712 /nfs/dbraw/zinc/52/37/12/539523712.db2.gz HLBSFQYUJFQTNT-IBGZPJMESA-N 1 0 367.449 2.177 50 0 FEAARO O[C@@H]1CCCN(c2ncccc2C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000011662377 539532051 /nfs/dbraw/zinc/53/20/51/539532051.db2.gz QCXKVBHXCLJSNE-QGZVFWFLSA-N 1 0 355.438 2.104 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC(C)CC3)C2=O)c1 ZINC000011767434 539535009 /nfs/dbraw/zinc/53/50/09/539535009.db2.gz UUDJGOJNIFSNMW-FQEVSTJZSA-N 1 0 364.461 2.420 50 0 FEAARO CC[C@H]1CN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC[N@@H+]1C ZINC000011821143 539535892 /nfs/dbraw/zinc/53/58/92/539535892.db2.gz GUQONESVNINPJL-IBGZPJMESA-N 1 0 367.497 2.370 50 0 FEAARO O=C(CCN1CCCC1=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012052357 539541818 /nfs/dbraw/zinc/54/18/18/539541818.db2.gz OYXFWFQIHFHAJR-LJQANCHMSA-N 1 0 357.498 2.212 50 0 FEAARO COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012196198 539549567 /nfs/dbraw/zinc/54/95/67/539549567.db2.gz ZIUSFSIMXUGVDG-AWEZNQCLSA-N 1 0 372.421 2.465 50 0 FEAARO COc1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1 ZINC000012630159 539568864 /nfs/dbraw/zinc/56/88/64/539568864.db2.gz ABYBZHBHOHTNHO-KRWDZBQOSA-N 1 0 365.393 2.303 50 0 FEAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000012749401 539571955 /nfs/dbraw/zinc/57/19/55/539571955.db2.gz PGBUJRDOMXYDBI-OAHLLOKOSA-N 1 0 374.481 2.467 50 0 FEAARO CC(C)[C@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1 ZINC000012996973 539581325 /nfs/dbraw/zinc/58/13/25/539581325.db2.gz MRXTZQNNSRIZHA-ICSRJNTNSA-N 1 0 367.449 2.253 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2cccc(C)c2NC1=O ZINC000013572448 539587990 /nfs/dbraw/zinc/58/79/90/539587990.db2.gz YHJBFALZYUQLJS-LSXCBTEZSA-N 1 0 369.465 2.170 50 0 FEAARO C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000014200960 539598902 /nfs/dbraw/zinc/59/89/02/539598902.db2.gz VVTAFDKWCQUACT-MJICGBHWSA-N 1 0 362.470 2.022 50 0 FEAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1N1CCOCC1 ZINC000014881933 539606670 /nfs/dbraw/zinc/60/66/70/539606670.db2.gz XKVZFPNWMLBBDI-PKOBYXMFSA-N 1 0 364.461 2.302 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000015013972 539609032 /nfs/dbraw/zinc/60/90/32/539609032.db2.gz GBIJOWBKNCTYBN-FUHWJXTLSA-N 1 0 373.497 2.427 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000015774191 539623560 /nfs/dbraw/zinc/62/35/60/539623560.db2.gz WIZYWCPDDKOMQH-UHFFFAOYSA-N 1 0 361.467 2.056 50 0 FEAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000019871818 539670574 /nfs/dbraw/zinc/67/05/74/539670574.db2.gz KLZURSWNFBVOBU-UHFFFAOYSA-N 1 0 369.284 2.429 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccccc3C)n2)CC1 ZINC000021930443 539689734 /nfs/dbraw/zinc/68/97/34/539689734.db2.gz NONQPXPWPRDVFH-UHFFFAOYSA-N 1 0 365.485 2.426 50 0 FEAARO Cc1cc(NC(=O)[C@H]([NH2+]CC(C)(C)N2CCOCC2)c2ccccc2)no1 ZINC000022912154 539702782 /nfs/dbraw/zinc/70/27/82/539702782.db2.gz CVEHYJXLORPYGM-GOSISDBHSA-N 1 0 372.469 2.363 50 0 FEAARO CCOC(=O)c1cccc(OC[C@H](O)CNCC[NH+](C(C)C)C(C)C)c1 ZINC000022782779 539698851 /nfs/dbraw/zinc/69/88/51/539698851.db2.gz DXCUERULBCUFBO-GOSISDBHSA-N 1 0 366.502 2.311 50 0 FEAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023017859 539704280 /nfs/dbraw/zinc/70/42/80/539704280.db2.gz XSRPFVIYSSMMEG-UHFFFAOYSA-N 1 0 353.422 2.339 50 0 FEAARO COc1cccc([C@H](CNC(=O)c2cccc(C(N)=O)c2)[NH+]2CCCC2)c1 ZINC000023081399 539705681 /nfs/dbraw/zinc/70/56/81/539705681.db2.gz OBGDKGRELDWPHP-IBGZPJMESA-N 1 0 367.449 2.361 50 0 FEAARO COC(=O)c1sccc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000023402892 539714377 /nfs/dbraw/zinc/71/43/77/539714377.db2.gz SMNBINRKERWQJR-UHFFFAOYSA-N 1 0 368.480 2.075 50 0 FEAARO O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000032911878 539958821 /nfs/dbraw/zinc/95/88/21/539958821.db2.gz GKBZCMHVNGIIAI-NSHDSACASA-N 1 0 364.389 2.348 50 0 FEAARO COc1cc(Br)c(C[NH2+]CCNC(=O)C(C)C)cc1OC ZINC000034992625 539979007 /nfs/dbraw/zinc/97/90/07/539979007.db2.gz IMAQSCSYDBUUGN-UHFFFAOYSA-N 1 0 359.264 2.328 50 0 FEAARO CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1 ZINC000035485353 539982614 /nfs/dbraw/zinc/98/26/14/539982614.db2.gz WNYJHPPZISCSFD-OALUTQOASA-N 1 0 357.498 2.291 50 0 FEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1sccc1-n1cnnn1 ZINC000040093131 540006270 /nfs/dbraw/zinc/00/62/70/540006270.db2.gz DPUZQHMYLUUUAS-CYBMUJFWSA-N 1 0 374.495 2.352 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3csc(C)n3)cnn2c1 ZINC000067908360 541526959 /nfs/dbraw/zinc/52/69/59/541526959.db2.gz CJXWUWLHXXCIHT-UHFFFAOYSA-N 1 0 358.471 2.266 50 0 FEAARO CCn1nccc1NC(=O)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(C)=O)C2)c1 ZINC000067934219 541529832 /nfs/dbraw/zinc/52/98/32/541529832.db2.gz HGPCOMSLFGDHQP-GOSISDBHSA-N 1 0 369.469 2.208 50 0 FEAARO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000069114531 541658756 /nfs/dbraw/zinc/65/87/56/541658756.db2.gz DNYOJFFDJNDMGF-RDJZCZTQSA-N 1 0 362.499 2.266 50 0 FEAARO CC[N@@H+]1CCc2c(cccc2-n2nnc(C(=O)NCC(F)(F)F)c2C)C1 ZINC000069570378 541697339 /nfs/dbraw/zinc/69/73/39/541697339.db2.gz ZKSVBXBHNLDKLN-UHFFFAOYSA-N 1 0 367.375 2.246 50 0 FEAARO NS(=O)(=O)c1ccc(-c2cc3c(c(Cl)c2)O[C@@H](C[NH3+])C3)c(F)c1 ZINC000071278542 541765749 /nfs/dbraw/zinc/76/57/49/541765749.db2.gz DUXPNFNIWGDGFK-SNVBAGLBSA-N 1 0 356.806 2.056 50 0 FEAARO CC[C@H]1C[N@H+](Cc2cn(CCO)nc2C)CCC(=O)N1Cc1ccccc1 ZINC000071551803 541768503 /nfs/dbraw/zinc/76/85/03/541768503.db2.gz NRBGNJWTDZRCMB-FQEVSTJZSA-N 1 0 370.497 2.197 50 0 FEAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071745362 541769397 /nfs/dbraw/zinc/76/93/97/541769397.db2.gz USDZISCODBUSBP-QGZVFWFLSA-N 1 0 370.497 2.021 50 0 FEAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CCOc3ccccc3C2)[nH]1 ZINC000071730490 541769519 /nfs/dbraw/zinc/76/95/19/541769519.db2.gz AVLLTNIURYYTHK-IRXDYDNUSA-N 1 0 368.481 2.347 50 0 FEAARO CN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071755156 541771453 /nfs/dbraw/zinc/77/14/53/541771453.db2.gz JFWYTMWSWCFQBB-QGZVFWFLSA-N 1 0 373.497 2.351 50 0 FEAARO c1c(CN2CCCN(c3nc4ccccc4s3)CC2)nn2c1C[NH2+]CC2 ZINC000072128898 541785291 /nfs/dbraw/zinc/78/52/91/541785291.db2.gz UYKNCYPBLNIADB-UHFFFAOYSA-N 1 0 368.510 2.308 50 0 FEAARO CCCc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)no1 ZINC000072127137 541784455 /nfs/dbraw/zinc/78/44/55/541784455.db2.gz QJPMIUCZFLWEKV-MSOLQXFVSA-N 1 0 355.438 2.175 50 0 FEAARO O=C(CCCn1cccn1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072122605 541784512 /nfs/dbraw/zinc/78/45/12/541784512.db2.gz IJTQDGIDQBRYFE-HXUWFJFHSA-N 1 0 352.482 2.365 50 0 FEAARO CN(CCO)C(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072138932 541785955 /nfs/dbraw/zinc/78/59/55/541785955.db2.gz WLPVDYCLNLGJMZ-UHFFFAOYSA-N 1 0 352.478 2.149 50 0 FEAARO Nc1ccnc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072135263 541786337 /nfs/dbraw/zinc/78/63/37/541786337.db2.gz HIMNXTJJOHBJEW-KBAYOESNSA-N 1 0 357.408 2.404 50 0 FEAARO COc1ccccc1[C@@H]1CN(C(=O)c2[nH]cnc2C)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072137250 541786381 /nfs/dbraw/zinc/78/63/81/541786381.db2.gz YDNCOALMBSGUTK-PWIZWCRZSA-N 1 0 366.465 2.429 50 0 FEAARO CCOc1ccccc1N1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072143837 541787351 /nfs/dbraw/zinc/78/73/51/541787351.db2.gz MQCDQRPTZBNJGK-UHFFFAOYSA-N 1 0 355.486 2.097 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)n(C)n1 ZINC000072152514 541789777 /nfs/dbraw/zinc/78/97/77/541789777.db2.gz JVAOZSCBLLIZEG-INIZCTEOSA-N 1 0 370.501 2.138 50 0 FEAARO O=C(c1ccc[nH]1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151888 541789805 /nfs/dbraw/zinc/78/98/05/541789805.db2.gz BZNNRAXCCAFVRH-CDHQVMDDSA-N 1 0 365.433 2.446 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c(=O)[nH]1 ZINC000072155984 541790697 /nfs/dbraw/zinc/79/06/97/541790697.db2.gz XRJXUMDAUVDCQH-SFHVURJKSA-N 1 0 368.481 2.052 50 0 FEAARO COc1c[nH]c(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000072153168 541790845 /nfs/dbraw/zinc/79/08/45/541790845.db2.gz NSDIIYZZHFIDMM-QGZVFWFLSA-N 1 0 367.449 2.459 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000072154320 541790855 /nfs/dbraw/zinc/79/08/55/541790855.db2.gz UFBOOQDDCLOCAA-UHFFFAOYSA-N 1 0 359.495 2.307 50 0 FEAARO CC(C)Cc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)on1 ZINC000072164418 541793199 /nfs/dbraw/zinc/79/31/99/541793199.db2.gz YEEDEDAYJYJSSE-MOPGFXCFSA-N 1 0 369.465 2.421 50 0 FEAARO COC(=O)COc1ccc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000072163804 541792919 /nfs/dbraw/zinc/79/29/19/541792919.db2.gz VPGNOLYJEDUCCR-OAHLLOKOSA-N 1 0 362.470 2.306 50 0 FEAARO O=C([C@H]1CC(=O)N(c2cccc(O)c2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072407229 541805389 /nfs/dbraw/zinc/80/53/89/541805389.db2.gz QERYSNXWEFFPRR-INIZCTEOSA-N 1 0 371.481 2.222 50 0 FEAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000072410207 541806398 /nfs/dbraw/zinc/80/63/98/541806398.db2.gz SXUOQUKCMLWRGR-QGZVFWFLSA-N 1 0 355.486 2.496 50 0 FEAARO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000072412353 541808419 /nfs/dbraw/zinc/80/84/19/541808419.db2.gz XYGUHPJGZKMALK-LJQANCHMSA-N 1 0 369.513 2.335 50 0 FEAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000072425654 541811276 /nfs/dbraw/zinc/81/12/76/541811276.db2.gz UGXJTCUPUSMTQR-QGZVFWFLSA-N 1 0 369.517 2.158 50 0 FEAARO CCc1ncc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2OC)cn1 ZINC000072424137 541809709 /nfs/dbraw/zinc/80/97/09/541809709.db2.gz PVBMIJRMZFNKBX-MOPGFXCFSA-N 1 0 366.465 2.160 50 0 FEAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4occc4c3)CC[C@H]21 ZINC000072425526 541810837 /nfs/dbraw/zinc/81/08/37/541810837.db2.gz SPGOQLQYZJXKNC-DLBZAZTESA-N 1 0 355.438 2.235 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1CCO ZINC000072427956 541811809 /nfs/dbraw/zinc/81/18/09/541811809.db2.gz CUIGZAKADSDOLR-INIZCTEOSA-N 1 0 356.470 2.242 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072432701 541813130 /nfs/dbraw/zinc/81/31/30/541813130.db2.gz GGRUQYZSVTWVTD-KRWDZBQOSA-N 1 0 361.534 2.141 50 0 FEAARO COc1cccc(-c2cc(CNc3ncnc4c3CC[NH2+]CC4)on2)c1 ZINC000072436572 541814301 /nfs/dbraw/zinc/81/43/01/541814301.db2.gz USEJWRFQKNTWMA-UHFFFAOYSA-N 1 0 351.410 2.441 50 0 FEAARO CN1CC2(CC1=O)CCN(C(=O)c1cccc(CC3CC[NH2+]CC3)c1)CC2 ZINC000072468448 541817760 /nfs/dbraw/zinc/81/77/60/541817760.db2.gz HQEQYNPOQZBXKW-UHFFFAOYSA-N 1 0 369.509 2.313 50 0 FEAARO COc1ccccc1-c1ncc(CN2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)s1 ZINC000072463540 541817884 /nfs/dbraw/zinc/81/78/84/541817884.db2.gz QPEKWUZLBQCGMP-IRXDYDNUSA-N 1 0 359.495 2.460 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000072473682 541818817 /nfs/dbraw/zinc/81/88/17/541818817.db2.gz UPMKLUIEHUNIJL-OAQYLSRUSA-N 1 0 372.513 2.155 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000122271180 203783180 /nfs/dbraw/zinc/78/31/80/203783180.db2.gz SVNBTONSHVZMNZ-MFKMUULPSA-N 1 0 364.389 2.322 50 0 FEAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072479487 541821852 /nfs/dbraw/zinc/82/18/52/541821852.db2.gz QRZYSCATWVRJKK-NRFANRHFSA-N 1 0 372.513 2.201 50 0 FEAARO CC(=O)Nc1ccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)c[n+]2c1 ZINC000000633457 203935551 /nfs/dbraw/zinc/93/55/51/203935551.db2.gz NMJKQLNESKDFQX-UHFFFAOYSA-O 1 0 353.402 2.450 50 0 FEAARO Nc1cc(N)[nH+]c(SCC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000003605743 204108649 /nfs/dbraw/zinc/10/86/49/204108649.db2.gz FLOCZHXSDCTODT-UHFFFAOYSA-N 1 0 357.483 2.214 50 0 FEAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000005351183 204204251 /nfs/dbraw/zinc/20/42/51/204204251.db2.gz VABQQEZQCVSIKW-YJXLLHPSSA-N 1 0 369.465 2.252 50 0 FEAARO Cc1cccc2c(=O)n(CC(=O)NCC(C)(C)[NH+]3CCCCC3)cnc12 ZINC000009316856 204362119 /nfs/dbraw/zinc/36/21/19/204362119.db2.gz HZNMIOWDVBWHIS-UHFFFAOYSA-N 1 0 356.470 2.086 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCCCC3)C2=O)c1 ZINC000012590019 204480103 /nfs/dbraw/zinc/48/01/03/204480103.db2.gz FPXSPYWGYIZRDI-LJQANCHMSA-N 1 0 350.434 2.174 50 0 FEAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ncnn21 ZINC000036619289 205018723 /nfs/dbraw/zinc/01/87/23/205018723.db2.gz CMBDLVIIDRDTHT-HNNXBMFYSA-N 1 0 364.453 2.396 50 0 FEAARO CC(C)[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000036619155 205019026 /nfs/dbraw/zinc/01/90/26/205019026.db2.gz TYXQHVHQEZYBAY-UHFFFAOYSA-N 1 0 364.453 2.394 50 0 FEAARO CCC(CC)[C@@H](CNC(=O)c1cc2ccccc2[nH]c1=O)[NH+]1CCOCC1 ZINC000040051066 205051741 /nfs/dbraw/zinc/05/17/41/205051741.db2.gz QYQTVBXZIOPNEK-LJQANCHMSA-N 1 0 371.481 2.395 50 0 FEAARO CC[C@H](CNC(=O)Cn1nnc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000040074402 205052243 /nfs/dbraw/zinc/05/22/43/205052243.db2.gz LDZDCRBDUYRTJN-GOSISDBHSA-N 1 0 363.465 2.384 50 0 FEAARO CCOc1cc(C[NH2+]CCCCO)ccc1OCC(=O)NC(C)(C)C ZINC000040721033 205077638 /nfs/dbraw/zinc/07/76/38/205077638.db2.gz HBAYHTILCFUXDE-UHFFFAOYSA-N 1 0 352.475 2.241 50 0 FEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cnc2ccccn2c1=O ZINC000048272342 205154500 /nfs/dbraw/zinc/15/45/00/205154500.db2.gz QHGWSWZEALWIKK-INIZCTEOSA-N 1 0 366.421 2.245 50 0 FEAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCNS(=O)(=O)Cc2ccccc2)o1 ZINC000048314606 205158053 /nfs/dbraw/zinc/15/80/53/205158053.db2.gz DMYAWYCHCDAUFE-UHFFFAOYSA-N 1 0 374.466 2.187 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1 ZINC000050029666 205176613 /nfs/dbraw/zinc/17/66/13/205176613.db2.gz YSUQQAKULMZUHV-NSHDSACASA-N 1 0 367.393 2.146 50 0 FEAARO COc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCCCCC3)CC2)cc1 ZINC000051229250 205181529 /nfs/dbraw/zinc/18/15/29/205181529.db2.gz PLGZVCBNVMTOFO-UHFFFAOYSA-N 1 0 373.497 2.246 50 0 FEAARO Cc1c(C[NH2+]CC2(Cn3ccnc3)CC2)c2ccccc2n1CC(N)=O ZINC000055401532 205217225 /nfs/dbraw/zinc/21/72/25/205217225.db2.gz JVTQXGFIQBBFJF-UHFFFAOYSA-N 1 0 351.454 2.202 50 0 FEAARO O=C(NC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000057170808 205235693 /nfs/dbraw/zinc/23/56/93/205235693.db2.gz FWRNPHJEHYLERB-IBGZPJMESA-N 1 0 369.509 2.416 50 0 FEAARO Cc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000058203324 205260322 /nfs/dbraw/zinc/26/03/22/205260322.db2.gz JRDRTGOMGNKXCT-HOTGVXAUSA-N 1 0 356.470 2.268 50 0 FEAARO COC(=O)c1cc2n(n1)CCCN([C@@H](C)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000065430166 205351082 /nfs/dbraw/zinc/35/10/82/205351082.db2.gz CCYDDRNNDZCYMF-INIZCTEOSA-N 1 0 368.481 2.322 50 0 FEAARO CCOC(=O)N1CCC([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC1 ZINC000065457529 205352363 /nfs/dbraw/zinc/35/23/63/205352363.db2.gz AVIGAOAFDPADBM-UHFFFAOYSA-N 1 0 367.881 2.309 50 0 FEAARO C[C@@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1)c1cnn(C)c1 ZINC000065463457 205353709 /nfs/dbraw/zinc/35/37/09/205353709.db2.gz RJSIBNLOUZDRIC-CYBMUJFWSA-N 1 0 362.861 2.452 50 0 FEAARO Cc1cc(N2CCC[C@@H](Cn3cc(Cc4ccccc4)nn3)C2)nc(N)[nH+]1 ZINC000065504514 205355175 /nfs/dbraw/zinc/35/51/75/205355175.db2.gz KZCUHRWJNINCPK-QGZVFWFLSA-N 1 0 363.469 2.466 50 0 FEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3)C1 ZINC000065493788 205355886 /nfs/dbraw/zinc/35/58/86/205355886.db2.gz DCOMEBLMVCUXSM-GOSISDBHSA-N 1 0 367.497 2.065 50 0 FEAARO OC1CCN(c2ccnc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000065394338 205345687 /nfs/dbraw/zinc/34/56/87/205345687.db2.gz RGHXPYJOJPWDTF-KRWDZBQOSA-N 1 0 353.470 2.124 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000067588001 205376054 /nfs/dbraw/zinc/37/60/54/205376054.db2.gz AHOPFZNTCLVEQX-UHFFFAOYSA-N 1 0 369.513 2.435 50 0 FEAARO Cn1nc(CC2CC[NH+](Cc3ccncc3)CC2)n(-c2ccccc2)c1=O ZINC000067587764 205376316 /nfs/dbraw/zinc/37/63/16/205376316.db2.gz KDKKRCFKIQWZOA-UHFFFAOYSA-N 1 0 363.465 2.421 50 0 FEAARO C[NH+](C)CCNc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cn1 ZINC000067689346 205384087 /nfs/dbraw/zinc/38/40/87/205384087.db2.gz PNLXODAKPYMVBG-INIZCTEOSA-N 1 0 370.453 2.015 50 0 FEAARO CCn1c(=O)[nH]nc1[C@@H]1CCC[N@H+](Cc2cccn2-c2ccccn2)C1 ZINC000067714638 205384826 /nfs/dbraw/zinc/38/48/26/205384826.db2.gz VAJIBZYKSGETOZ-OAHLLOKOSA-N 1 0 352.442 2.157 50 0 FEAARO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CCC[C@@H]1Cn1cccn1)OCO3 ZINC000067821239 205394067 /nfs/dbraw/zinc/39/40/67/205394067.db2.gz PXTBDJXMBBWFQB-OAHLLOKOSA-N 1 0 352.394 2.118 50 0 FEAARO Cc1ccc(CN(C(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)C2CC2)s1 ZINC000067756473 205388781 /nfs/dbraw/zinc/38/87/81/205388781.db2.gz HUOLMJCBJALRBU-AWEZNQCLSA-N 1 0 359.499 2.452 50 0 FEAARO CC(C)[C@@H](C)Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067804793 205393098 /nfs/dbraw/zinc/39/30/98/205393098.db2.gz JUKWWJCPKUEKPG-MRXNPFEDSA-N 1 0 360.502 2.475 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)CCn3cnnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072159464 205490578 /nfs/dbraw/zinc/49/05/78/205490578.db2.gz VLLIKMYGZIVQJM-HMXCVIKNSA-N 1 0 365.481 2.065 50 0 FEAARO CNC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077489230 205606537 /nfs/dbraw/zinc/60/65/37/205606537.db2.gz CAPQBCLWPOOWGQ-OAQYLSRUSA-N 1 0 357.498 2.070 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)c3cccc(OC)c3OC)C[C@@H]2[NH3+])cc1 ZINC000091444643 205674888 /nfs/dbraw/zinc/67/48/88/205674888.db2.gz COZWBSCQPQXNFH-SJORKVTESA-N 1 0 356.422 2.279 50 0 FEAARO CCN1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000072957135 541896802 /nfs/dbraw/zinc/89/68/02/541896802.db2.gz UUEVMRZMYBTPJJ-HXUWFJFHSA-N 1 0 359.514 2.255 50 0 FEAARO COCCN1CC[C@@]2(C[N@H+](CCCc3ccccc3)CCN2C)CCC1=O ZINC000107403384 206019233 /nfs/dbraw/zinc/01/92/33/206019233.db2.gz HLFDRVKUMVZZEZ-JOCHJYFZSA-N 1 0 373.541 2.264 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000237458368 206103426 /nfs/dbraw/zinc/10/34/26/206103426.db2.gz BYPFRHYHNJQKPC-CABZTGNLSA-N 1 0 365.268 2.479 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2C)C1 ZINC000237211719 206095328 /nfs/dbraw/zinc/09/53/28/206095328.db2.gz GSOSJDZIJPSKRG-LBPRGKRZSA-N 1 0 361.305 2.378 50 0 FEAARO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)C[NH+]1CCCCC1 ZINC000004061315 206167163 /nfs/dbraw/zinc/16/71/63/206167163.db2.gz CLJLWXNNSFTCKC-SFHVURJKSA-N 1 0 355.438 2.080 50 0 biogenic FEAARO CC(C)[C@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106142566 206232308 /nfs/dbraw/zinc/23/23/08/206232308.db2.gz ZBTVJBVJVKUMMH-GPMSIDNRSA-N 1 0 371.485 2.017 50 0 FEAARO C[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000170599318 206271622 /nfs/dbraw/zinc/27/16/22/206271622.db2.gz QGAMAASPSHXDKU-YJBOKZPZSA-N 1 0 369.465 2.425 50 0 FEAARO O=S(=O)(NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000110797192 206279906 /nfs/dbraw/zinc/27/99/06/206279906.db2.gz SQRSZABLSTWOJT-VIFPVBQESA-N 1 0 367.696 2.380 50 0 FEAARO C[C@@H]1CN(C[C@H](O)COc2ccc3c4c(c(=O)oc3c2)CCC4)C[C@H](C)O1 ZINC000012635948 206293253 /nfs/dbraw/zinc/29/32/53/206293253.db2.gz XUFNUSDPUIGUQX-ZNMIVQPWSA-N 1 0 373.449 2.131 50 0 FEAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cccc(Br)c2)cc1 ZINC000016386208 206318637 /nfs/dbraw/zinc/31/86/37/206318637.db2.gz IPGUREUEPKJXDK-UHFFFAOYSA-N 1 0 369.284 2.429 50 0 FEAARO c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc(OCCN2CCOCC2)c1 ZINC000214976913 206343383 /nfs/dbraw/zinc/34/33/83/206343383.db2.gz XQIRYDVVWXXITN-NRFANRHFSA-N 1 0 373.541 2.458 50 0 FEAARO COc1ccc(CN2CCc3n[nH]c(CO)c3C2)cc1C[NH+]1CCCC1 ZINC000216149427 206355725 /nfs/dbraw/zinc/35/57/25/206355725.db2.gz SLQNATPWSFBTKL-UHFFFAOYSA-N 1 0 356.470 2.065 50 0 FEAARO CC[NH+]1CCN(C[C@H](O)COCCOc2ccccc2C(C)C)CC1 ZINC000022466305 206378244 /nfs/dbraw/zinc/37/82/44/206378244.db2.gz DMTWLQAUQBKRAY-SFHVURJKSA-N 1 0 350.503 2.204 50 0 FEAARO C[NH+](C)CCC[NH2+][C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000056964199 206384538 /nfs/dbraw/zinc/38/45/38/206384538.db2.gz LDFFDURZVRDIRK-ZDUSSCGKSA-N 1 0 362.257 2.317 50 0 FEAARO CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2c3ccccc3oc21 ZINC000216520192 206359147 /nfs/dbraw/zinc/35/91/47/206359147.db2.gz XRTBAWQVGOIVPC-INIZCTEOSA-N 1 0 351.406 2.023 50 0 FEAARO CCNc1nc(C)c(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000219905679 206394157 /nfs/dbraw/zinc/39/41/57/206394157.db2.gz JCHNPIWTFLEQRC-CQSZACIVSA-N 1 0 352.504 2.257 50 0 FEAARO Cc1ccc(-c2noc(CCNc3cc(C4CC([NH3+])C4)nc(N)n3)n2)cc1 ZINC000222708993 206422203 /nfs/dbraw/zinc/42/22/03/206422203.db2.gz KOHPGVHUYMYONX-UHFFFAOYSA-N 1 0 365.441 2.277 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)NCCc1ccccc1 ZINC000077298771 542363493 /nfs/dbraw/zinc/36/34/93/542363493.db2.gz NLENAXDKIPPPHK-JOCHJYFZSA-N 1 0 369.509 2.212 50 0 FEAARO COc1ccc(CN2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2=O)cc1 ZINC000077321681 542366771 /nfs/dbraw/zinc/36/67/71/542366771.db2.gz ZLWVXVQOAHDGKL-QGZVFWFLSA-N 1 0 373.497 2.131 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CN1CCO ZINC000077406553 542379520 /nfs/dbraw/zinc/37/95/20/542379520.db2.gz IGVMOILSBMCMBU-NRFANRHFSA-N 1 0 368.481 2.069 50 0 FEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)COc1ccc2c(c1)OCO2 ZINC000077356247 542372217 /nfs/dbraw/zinc/37/22/17/542372217.db2.gz UYDSGIINKJHLQO-KRWDZBQOSA-N 1 0 368.433 2.309 50 0 FEAARO CC(=O)NCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077456480 542383976 /nfs/dbraw/zinc/38/39/76/542383976.db2.gz JNDYDDFUSAPQNC-NRFANRHFSA-N 1 0 357.498 2.070 50 0 FEAARO Cc1cc(C)c2nc(C)cc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2c1 ZINC000077485322 542387101 /nfs/dbraw/zinc/38/71/01/542387101.db2.gz RSTYGRJEJOZCMC-INIZCTEOSA-N 1 0 368.481 2.087 50 0 FEAARO O=C(CCc1ccc(F)cc1F)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077505578 542389946 /nfs/dbraw/zinc/38/99/46/542389946.db2.gz OITINKDINJKHQE-LJQANCHMSA-N 1 0 352.425 2.347 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[N@H+](C[C@H]1CCCCO1)C2)N1CCCC1 ZINC000082106489 542684266 /nfs/dbraw/zinc/68/42/66/542684266.db2.gz BUZZCGBCLPNECV-LJQANCHMSA-N 1 0 360.502 2.213 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)c3ccc4c(c3)OCO4)cc2C1 ZINC000082107322 542684716 /nfs/dbraw/zinc/68/47/16/542684716.db2.gz WKVDKCRDHFJWEU-UHFFFAOYSA-N 1 0 370.453 2.404 50 0 FEAARO c1nc(C[C@@H]2CN(c3cc[nH+]cc3)Cc3nnc(C4CCOCC4)n32)c[nH]1 ZINC000077391050 132183208 /nfs/dbraw/zinc/18/32/08/132183208.db2.gz YDCFNICUNODYPD-QGZVFWFLSA-N 1 0 365.441 2.094 50 0 FEAARO CCc1c(C)cc(C(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)c(=O)n1C ZINC000077525027 132188738 /nfs/dbraw/zinc/18/87/38/132188738.db2.gz RWVNJOGNHNDBEV-UHFFFAOYSA-N 1 0 368.481 2.230 50 0 FEAARO c1nc(N2CCCCC2)ncc1CN1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000216157190 132271092 /nfs/dbraw/zinc/27/10/92/132271092.db2.gz CZQPYKUQMNUABB-IBGZPJMESA-N 1 0 359.518 2.154 50 0 FEAARO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000089382630 542762196 /nfs/dbraw/zinc/76/21/96/542762196.db2.gz JJSWIOCBURLECX-INIZCTEOSA-N 1 0 360.458 2.049 50 0 FEAARO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000002943751 132384411 /nfs/dbraw/zinc/38/44/11/132384411.db2.gz RDKBSIUZXKOOIN-HOTGVXAUSA-N 1 0 359.470 2.181 50 0 FEAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CC4)c(C)c32)CC1 ZINC000021926794 132903315 /nfs/dbraw/zinc/90/33/15/132903315.db2.gz SHLXUSNHEMFANJ-UHFFFAOYSA-N 1 0 359.499 2.424 50 0 FEAARO CC[C@@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000089949211 542775890 /nfs/dbraw/zinc/77/58/90/542775890.db2.gz WPLPWEWYSRKVMJ-IUODEOHRSA-N 1 0 366.437 2.093 50 0 FEAARO CCOc1ncccc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC ZINC000091410926 542806458 /nfs/dbraw/zinc/80/64/58/542806458.db2.gz GBLBKXPDPXEDHZ-UHFFFAOYSA-N 1 0 369.469 2.213 50 0 FEAARO Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cccnc1N)CC2 ZINC000091587314 542814194 /nfs/dbraw/zinc/81/41/94/542814194.db2.gz SWUWHOUWDMCKBJ-UHFFFAOYSA-N 1 0 369.469 2.283 50 0 FEAARO CCN1CC[C@@]2(CN(Cc3cncn3CC(C)C)CC[N@@H+]2C)CCC1=O ZINC000091587458 542814524 /nfs/dbraw/zinc/81/45/24/542814524.db2.gz WLTZLZAVFQQELK-HXUWFJFHSA-N 1 0 361.534 2.058 50 0 FEAARO COC(=O)CC[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091665244 542818603 /nfs/dbraw/zinc/81/86/03/542818603.db2.gz VWQBMDHARVPFEH-UHFFFAOYSA-N 1 0 366.408 2.342 50 0 FEAARO COc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)ccc1O ZINC000091745922 542822749 /nfs/dbraw/zinc/82/27/49/542822749.db2.gz IKRVQZRSVUXDHC-WMLDXEAASA-N 1 0 360.454 2.116 50 0 FEAARO CCN1CC[C@]2(CN(C(=O)Nc3cccc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000091997294 542835894 /nfs/dbraw/zinc/83/58/94/542835894.db2.gz MHTMGXKBEXANDK-IBGZPJMESA-N 1 0 362.449 2.376 50 0 FEAARO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1CCCO1 ZINC000034668624 136117741 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CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C)C[N@@H+]1CC1CCCC1 ZINC000096149733 542993216 /nfs/dbraw/zinc/99/32/16/542993216.db2.gz DWIWCWHFXOBMKD-MJGOQNOKSA-N 1 0 374.529 2.256 50 0 FEAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000097572180 543013193 /nfs/dbraw/zinc/01/31/93/543013193.db2.gz JFNQVOORQXDYKA-UHFFFAOYSA-N 1 0 351.454 2.155 50 0 FEAARO Cc1[nH]c2c(cccc2F)c1CC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000097600990 543013988 /nfs/dbraw/zinc/01/39/88/543013988.db2.gz KTFJGTCAVRZAEZ-UHFFFAOYSA-N 1 0 355.417 2.164 50 0 FEAARO COc1ccc(-n2cccn2)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000097742623 543015957 /nfs/dbraw/zinc/01/59/57/543015957.db2.gz VQZSQZCMEJXGPZ-UHFFFAOYSA-N 1 0 356.470 2.178 50 0 FEAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)n1 ZINC000097744849 543015997 /nfs/dbraw/zinc/01/59/97/543015997.db2.gz CWCSLLPKGHUQSK-CQSZACIVSA-N 1 0 368.466 2.118 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCN(C(=O)c4cc[nH]c4)C[C@@H]3CO)CC2)on1 ZINC000097744846 543016041 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CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccccc1 ZINC000020779059 524088881 /nfs/dbraw/zinc/08/88/81/524088881.db2.gz JDCNUFBVZQBPEM-MJGOQNOKSA-N 1 0 359.420 2.444 50 0 FEAARO COc1ccc(C[NH2+][C@H]2CC[C@@H](n3cc(C(=O)NC4CC4)nn3)CC2)cc1 ZINC000247874492 524094961 /nfs/dbraw/zinc/09/49/61/524094961.db2.gz GKPJHHRUFAFENL-WOVMCDHWSA-N 1 0 369.469 2.452 50 0 FEAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000089904596 524901002 /nfs/dbraw/zinc/90/10/02/524901002.db2.gz NISWIWGUZDURQW-SUMWQHHRSA-N 1 0 350.459 2.116 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000237618786 525015143 /nfs/dbraw/zinc/01/51/43/525015143.db2.gz GEGXJXFHOJBJDR-AXVVYFOYSA-N 1 0 359.514 2.430 50 0 FEAARO CS(=O)(=O)Cc1c2ccccc2sc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157786159 525138919 /nfs/dbraw/zinc/13/89/19/525138919.db2.gz HCWPZPCWHNQOBC-NSHDSACASA-N 1 0 352.481 2.009 50 0 FEAARO Cc1ccc(OCC(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000082108488 525380287 /nfs/dbraw/zinc/38/02/87/525380287.db2.gz IRYYUVBSBOMQCU-SFHVURJKSA-N 1 0 359.514 2.248 50 0 FEAARO Cc1c(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[nH]c2c1c(C)ccc2C ZINC000091650422 525613302 /nfs/dbraw/zinc/61/33/02/525613302.db2.gz PVHCFDVWVUOGNB-OAHLLOKOSA-N 1 0 356.470 2.020 50 0 FEAARO Cc1cc2ccccc2n1CCC(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082136916 525655669 /nfs/dbraw/zinc/65/56/69/525655669.db2.gz ZEFAUPPEFIUKJQ-UHFFFAOYSA-N 1 0 351.454 2.346 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1csc(Cc2ccccc2)n1 ZINC000082087611 526310527 /nfs/dbraw/zinc/31/05/27/526310527.db2.gz NXPAXAKYOBNWPT-MRXNPFEDSA-N 1 0 359.495 2.311 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000252585971 526515255 /nfs/dbraw/zinc/51/52/55/526515255.db2.gz MNDPSUHKETTYPN-JZXOWHBKSA-N 1 0 359.470 2.009 50 0 FEAARO Cc1nc(CN2CC[NH+](C[C@@H](C)Cc3ccc4c(c3)OCO4)CC2)no1 ZINC000216365758 526864503 /nfs/dbraw/zinc/86/45/03/526864503.db2.gz ODTUIGPWALOZGG-AWEZNQCLSA-N 1 0 358.442 2.103 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccccn3)C2)CN1CCc1c[nH]cn1 ZINC000082120372 526997986 /nfs/dbraw/zinc/99/79/86/526997986.db2.gz DIVQVTRKPPGBMJ-FQEVSTJZSA-N 1 0 353.470 2.252 50 0 FEAARO CC(=O)N[C@@H](CC(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1)c1ccc(C)cc1 ZINC000170617185 546165956 /nfs/dbraw/zinc/16/59/56/546165956.db2.gz KQVWYUZCTATSGL-OALUTQOASA-N 1 0 362.470 2.215 50 0 FEAARO Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)cc2)no1 ZINC000179470230 546959677 /nfs/dbraw/zinc/95/96/77/546959677.db2.gz SUDDKWUYDLQGEU-MRXNPFEDSA-N 1 0 354.414 2.386 50 0 FEAARO C[C@@H]1CN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC[NH2+]1 ZINC000188432636 548279551 /nfs/dbraw/zinc/27/95/51/548279551.db2.gz WXBAEAOBIYFMJZ-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO CC[NH+](CC)Cc1cc(C(=O)N[C@@H]2[C@H](COC)[C@H]3OCC[C@@H]23)c(C)o1 ZINC000222868331 548712652 /nfs/dbraw/zinc/71/26/52/548712652.db2.gz JLRDOYYBSHJKOG-DKIMLUQUSA-N 1 0 350.459 2.210 50 0 FEAARO COCc1nc(C)c(CNc2cc([C@H]3C[C@H]([NH3+])C3)nc(COC)n2)s1 ZINC000223235315 548717555 /nfs/dbraw/zinc/71/75/55/548717555.db2.gz GFMQKSLMNSTBPL-TXEJJXNPSA-N 1 0 363.487 2.351 50 0 FEAARO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1COCCO1 ZINC000225759475 548742699 /nfs/dbraw/zinc/74/26/99/548742699.db2.gz IZPHSBPKIPXDFY-HBMCJLEFSA-N 1 0 366.461 2.186 50 0 FEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCNc2cnccn2)C1 ZINC000229626946 548756464 /nfs/dbraw/zinc/75/64/64/548756464.db2.gz RSEUNDKQSXCMOW-DOTOQJQBSA-N 1 0 354.458 2.023 50 0 FEAARO C[N@@H+]1CCN(Cc2cccc(O)c2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230168331 548758840 /nfs/dbraw/zinc/75/88/40/548758840.db2.gz SAJNXHPQUVZTCU-OAQYLSRUSA-N 1 0 357.498 2.301 50 0 FEAARO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc(OC)c1Br ZINC000237245580 548811232 /nfs/dbraw/zinc/81/12/32/548811232.db2.gz WMJIQMWKXREHIX-ONGXEEELSA-N 1 0 357.248 2.418 50 0 FEAARO Nc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000240936871 548884691 /nfs/dbraw/zinc/88/46/91/548884691.db2.gz 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ZINC000252493379 549669060 /nfs/dbraw/zinc/66/90/60/549669060.db2.gz NAWUBLIXOBLGKC-UHFFFAOYSA-N 1 0 353.470 2.490 50 0 FEAARO Cc1nc(NC2CCN(C(=O)c3ccco3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252553154 549673707 /nfs/dbraw/zinc/67/37/07/549673707.db2.gz VGPUOIJNJJAQJG-OKILXGFUSA-N 1 0 355.442 2.299 50 0 FEAARO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Br)cc1 ZINC000253426721 549688173 /nfs/dbraw/zinc/68/81/73/549688173.db2.gz OIHXZBXMYVIYTO-UHFFFAOYSA-N 1 0 357.296 2.454 50 0 FEAARO O=C(Nc1cccc(Cl)c1)N1[C@@H]2CC[C@H]1CC(N1CCNC(=O)C1)C2 ZINC000253472873 549689585 /nfs/dbraw/zinc/68/95/85/549689585.db2.gz QFUWJKDOLKEINX-XYPWUTKMSA-N 1 0 362.861 2.299 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)CC3)C1 ZINC000257184157 549713730 /nfs/dbraw/zinc/71/37/30/549713730.db2.gz IGJUVWMGQVKWRF-SFHVURJKSA-N 1 0 367.497 2.422 50 0 FEAARO CC[N@@H+]1CC2(C[C@@H]1c1nnc(C)o1)CCN(C(=O)c1cccnc1)CC2 ZINC000257190079 549714285 /nfs/dbraw/zinc/71/42/85/549714285.db2.gz LDDGZGCQHJKFDB-MRXNPFEDSA-N 1 0 355.442 2.462 50 0 FEAARO C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000279154216 550859766 /nfs/dbraw/zinc/85/97/66/550859766.db2.gz DVPVPQPMYYRQTI-LLGFUMIMSA-N 1 0 360.498 2.253 50 0 FEAARO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cnc3ccccc3n2)CCC[N@@H+]1C ZINC000285082356 551702001 /nfs/dbraw/zinc/70/20/01/551702001.db2.gz DCJSQEZUPVFMFG-IFXJQAMLSA-N 1 0 364.453 2.176 50 0 FEAARO CC(C)n1cnnc1CCNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000299759849 553610964 /nfs/dbraw/zinc/61/09/64/553610964.db2.gz NVQGFEGNMWZNFC-UHFFFAOYSA-N 1 0 355.486 2.397 50 0 FEAARO CC1(C)C[C@@H](C[N@@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)CCO1 ZINC000299761211 553611739 /nfs/dbraw/zinc/61/17/39/553611739.db2.gz XAPLAGGBRFDGMP-HNNXBMFYSA-N 1 0 360.502 2.320 50 0 FEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(=O)n4cc(C)ccc4n3)[C@H]2C1 ZINC000299763933 553611758 /nfs/dbraw/zinc/61/17/58/553611758.db2.gz ZCSTYWFAHBEZAI-ABSDTBQOSA-N 1 0 357.454 2.161 50 0 FEAARO CN1CC[NH+](CCC(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000299762794 553612054 /nfs/dbraw/zinc/61/20/54/553612054.db2.gz BCDDBVYJBFXYDK-HXUWFJFHSA-N 1 0 356.445 2.064 50 0 FEAARO O=C(c1cccc(-c2cnccn2)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000299775486 553613284 /nfs/dbraw/zinc/61/32/84/553613284.db2.gz FYZFILDYHPPYFT-KRWDZBQOSA-N 1 0 366.465 2.328 50 0 FEAARO CN(CCc1noc(C2CC2)n1)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000299777236 553613565 /nfs/dbraw/zinc/61/35/65/553613565.db2.gz BOYJBNODYAELGY-HNNXBMFYSA-N 1 0 358.442 2.453 50 0 FEAARO CCc1c(-c2cccc(C(=O)NC[C@@H]3CC[N@H+](CCOC)C3)c2)cnn1C ZINC000299781123 553613817 /nfs/dbraw/zinc/61/38/17/553613817.db2.gz OEYWJQKVFTTXBO-INIZCTEOSA-N 1 0 370.497 2.348 50 0 FEAARO O=C1C[C@H](C[NH+]2CCC(O)(c3cccnc3)CC2)CN1c1ccccc1 ZINC000299790656 553615100 /nfs/dbraw/zinc/61/51/00/553615100.db2.gz BMBFPJGBRCEPIJ-QGZVFWFLSA-N 1 0 351.450 2.418 50 0 FEAARO Cc1[nH]nc(C(=O)N2CCCC[C@H]2CCN2CC[NH+](C)CC2)c1Cl ZINC000299797829 553615795 /nfs/dbraw/zinc/61/57/95/553615795.db2.gz OXMWGKNEUZHUHP-AWEZNQCLSA-N 1 0 353.898 2.004 50 0 FEAARO CC(C)n1cnc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000331539495 554282067 /nfs/dbraw/zinc/28/20/67/554282067.db2.gz YELGBJPCAXDDHG-MAUKXSAKSA-N 1 0 358.490 2.353 50 0 FEAARO CC(=O)N(C)c1cccc(NC(=O)NCCCOC2CC[NH+](C)CC2)c1 ZINC000426486092 559735543 /nfs/dbraw/zinc/73/55/43/559735543.db2.gz VSNQYLULBNXGSQ-UHFFFAOYSA-N 1 0 362.474 2.292 50 0 FEAARO Cc1nc(N)ccc1-c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000426501734 559736002 /nfs/dbraw/zinc/73/60/02/559736002.db2.gz HJLNIEJRKMFEAM-GOSISDBHSA-N 1 0 368.481 2.216 50 0 FEAARO CCc1ccc(CN2CCc3c(C(=O)NC[C@H](C)[NH3+])csc3C2)nc1 ZINC000426521601 559736752 /nfs/dbraw/zinc/73/67/52/559736752.db2.gz ZHXGYGPYRIJXMJ-ZDUSSCGKSA-N 1 0 358.511 2.341 50 0 FEAARO Cc1cc(C)nc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2)n1 ZINC000426551107 559737660 /nfs/dbraw/zinc/73/76/60/559737660.db2.gz LMPZGEIZFRQXDB-IBGZPJMESA-N 1 0 368.481 2.337 50 0 FEAARO Cc1ccc(OCC[NH3+])c(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1 ZINC000426580686 559738218 /nfs/dbraw/zinc/73/82/18/559738218.db2.gz GUPIMXLQRXSWEL-UHFFFAOYSA-N 1 0 368.359 2.380 50 0 FEAARO Cc1nnc(C2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)[nH]1 ZINC000426640379 559739437 /nfs/dbraw/zinc/73/94/37/559739437.db2.gz IULVNRVDXVVIHK-INIZCTEOSA-N 1 0 372.473 2.432 50 0 FEAARO Cc1cccc(CN2CCC[C@]3(CC[N@H+](CCC(=O)NC4CC4)C3)C2=O)c1 ZINC000426661243 559739784 /nfs/dbraw/zinc/73/97/84/559739784.db2.gz MLVVWUZTOMQBKM-JOCHJYFZSA-N 1 0 369.509 2.478 50 0 FEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCC1(COc2ccccc2)CC1 ZINC000426712609 559740846 /nfs/dbraw/zinc/74/08/46/559740846.db2.gz JFVFPWKYOOXUBR-KRWDZBQOSA-N 1 0 368.481 2.326 50 0 FEAARO O=C(NCC[NH+]1CCC(CO)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000534582572 562537366 /nfs/dbraw/zinc/53/73/66/562537366.db2.gz XVRNNYKFCKLNCV-UHFFFAOYSA-N 1 0 359.514 2.355 50 0 FEAARO O=C(c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1)N1CCC[NH2+]CC1 ZINC000534590259 562537812 /nfs/dbraw/zinc/53/78/12/562537812.db2.gz WEJZVNCZEBDXPZ-UHFFFAOYSA-N 1 0 369.444 2.318 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc(-c2ccc(C(C)=O)cn2)c1 ZINC000534638454 562538824 /nfs/dbraw/zinc/53/88/24/562538824.db2.gz GUHXAJBDOBATLB-PMACEKPBSA-N 1 0 367.449 2.400 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)N2CCNC(=O)CC2)[NH+]2CCC(C)CC2)cc1 ZINC000534650903 562539303 /nfs/dbraw/zinc/53/93/03/562539303.db2.gz DKZOTCFOURHSKB-LJQANCHMSA-N 1 0 372.513 2.300 50 0 FEAARO CN1CCN(C(=O)Cc2ccccc2OCc2ccccc2)C[C@@H]1CCO ZINC000584901775 570510678 /nfs/dbraw/zinc/51/06/78/570510678.db2.gz MXQBBPNXMUQKJI-FQEVSTJZSA-N 1 0 368.477 2.333 50 0 FEAARO Cn1nccc1[C@H]1CCCCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941383 571100890 /nfs/dbraw/zinc/10/08/90/571100890.db2.gz AYXVTFFAHFQIQR-QGZVFWFLSA-N 1 0 356.474 2.320 50 0 FEAARO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc43)C2)[C@H]1C(C)C ZINC000685941687 571102075 /nfs/dbraw/zinc/10/20/75/571102075.db2.gz FSUXYGXJTFXTPF-QQTQMKHKSA-N 1 0 356.470 2.163 50 0 FEAARO COC(=O)c1cn(Nc2[nH+]c3ccccc3nc2C)cc2c(=O)[nH]nc1-2 ZINC000524735263 571130971 /nfs/dbraw/zinc/13/09/71/571130971.db2.gz MMWIBWYJMDUMHX-UHFFFAOYSA-N 1 0 350.338 2.002 50 0 FEAARO COc1ccc(C(=O)N[C@@H](c2cccnc2)C(F)(F)F)c(OCC[NH3+])c1 ZINC000426399478 571220255 /nfs/dbraw/zinc/22/02/55/571220255.db2.gz YIRAJFPHPQUHMM-HNNXBMFYSA-N 1 0 369.343 2.461 50 0 FEAARO CC(=O)N1CCN(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000426441991 571225403 /nfs/dbraw/zinc/22/54/03/571225403.db2.gz SDWSVASNUGDFAW-UHFFFAOYSA-N 1 0 372.513 2.162 50 0 FEAARO CN1CCC([NH+]2CCC(NC(=O)N3CCOc4ccccc4C3)CC2)CC1 ZINC000584884946 571313566 /nfs/dbraw/zinc/31/35/66/571313566.db2.gz BULVITNFXWDMGL-UHFFFAOYSA-N 1 0 372.513 2.149 50 0 FEAARO Cn1ccnc1[C@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)C1CC1 ZINC000584888471 571314257 /nfs/dbraw/zinc/31/42/57/571314257.db2.gz FKFQZXHOFKRANB-MRXNPFEDSA-N 1 0 363.531 2.094 50 0 FEAARO CC(C)[C@@H](CNC(=O)N1CCC(O)(c2cccnc2)CC1)[NH+]1CCCC1 ZINC000584897254 571315591 /nfs/dbraw/zinc/31/55/91/571315591.db2.gz OPIPNJRZGGJXHS-GOSISDBHSA-N 1 0 360.502 2.195 50 0 FEAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)CC1 ZINC000012475953 670002423 /nfs/dbraw/zinc/00/24/23/670002423.db2.gz XFDIKYQRJYLCCW-INIZCTEOSA-N 1 0 371.616 2.101 50 0 FEAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[NH2+]C[C@@H]2CCCO2)c1=O ZINC000012510373 670002645 /nfs/dbraw/zinc/00/26/45/670002645.db2.gz ZBIAOYBTZZEOBP-HNNXBMFYSA-N 1 0 364.829 2.097 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)CC1 ZINC000020202607 670029986 /nfs/dbraw/zinc/02/99/86/670029986.db2.gz UNNDCFOSOFZAQL-SFHVURJKSA-N 1 0 351.922 2.303 50 0 FEAARO C[NH+](C)[C@@H]1CN(Cc2cccc(F)c2F)CC[C@@H]1CNC(=O)C1CC1 ZINC000169788865 672322453 /nfs/dbraw/zinc/32/24/53/672322453.db2.gz RQUMCFMAOMFPPR-RHSMWYFYSA-N 1 0 351.441 2.243 50 0 FEAARO Cc1nn(C)c2sc(C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)cc12 ZINC000184201530 672493503 /nfs/dbraw/zinc/49/35/03/672493503.db2.gz BDQGQQOSGFCHRS-UHFFFAOYSA-N 1 0 363.531 2.089 50 0 FEAARO O[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)COc1ccccc1Br ZINC000657927341 678046108 /nfs/dbraw/zinc/04/61/08/678046108.db2.gz PRMYABFJCAVPSC-STQMWFEESA-N 1 0 356.260 2.490 50 0 FEAARO Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662545029 678636502 /nfs/dbraw/zinc/63/65/02/678636502.db2.gz KTTDNTWCFJGMMH-RYUDHWBXSA-N 1 0 359.396 2.172 50 0 FEAARO CCCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1Cl ZINC000952975100 681793551 /nfs/dbraw/zinc/79/35/51/681793551.db2.gz RTBQETHELITOFZ-GFCCVEGCSA-N 1 0 353.850 2.265 50 0 FEAARO COCC[NH+]1CCC(CN(C)S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000952977016 681794526 /nfs/dbraw/zinc/79/45/26/681794526.db2.gz ZDSZRFDVVDZZGJ-UHFFFAOYSA-N 1 0 360.545 2.344 50 0 FEAARO CC[C@H](CNC(=O)/C=C/c1nc2ccccc2s1)[NH+]1CCN(C)CC1 ZINC000952982424 681795018 /nfs/dbraw/zinc/79/50/18/681795018.db2.gz XBUQOEPSAGTKND-XVJNWHFHSA-N 1 0 358.511 2.452 50 0 FEAARO CN(CC[NH+](C)C)c1ccc(Br)cc1NCc1cnn(C)n1 ZINC000864097042 683801299 /nfs/dbraw/zinc/80/12/99/683801299.db2.gz JQJPVUSCZUCEBY-UHFFFAOYSA-N 1 0 367.295 2.188 50 0 FEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000852354 539335046 /nfs/dbraw/zinc/33/50/46/539335046.db2.gz UHKHGUNYCCEGNN-GOSISDBHSA-N 1 0 354.406 2.168 50 0 FEAARO COc1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000004385389 539383791 /nfs/dbraw/zinc/38/37/91/539383791.db2.gz GSTPKWWRKYZNOR-UHFFFAOYSA-N 1 0 355.438 2.465 50 0 FEAARO COc1ccc(C(=O)NCc2cccnc2N2CCC[N@H+](C)CC2)cc1F ZINC000011838318 539536579 /nfs/dbraw/zinc/53/65/79/539536579.db2.gz VGROOTZQVNNUHZ-UHFFFAOYSA-N 1 0 372.444 2.301 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCC(CCO)CC2)nc1 ZINC000011841078 539536368 /nfs/dbraw/zinc/53/63/68/539536368.db2.gz KDVZLMOLQYPSDK-LJQANCHMSA-N 1 0 374.529 2.285 50 0 FEAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000011843374 539537726 /nfs/dbraw/zinc/53/77/26/539537726.db2.gz JZMOUUMKTBWFIR-GOSISDBHSA-N 1 0 357.498 2.324 50 0 FEAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000012308347 539553823 /nfs/dbraw/zinc/55/38/23/539553823.db2.gz LXEIUEQKIRELLK-GOSISDBHSA-N 1 0 359.495 2.409 50 0 FEAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C2CCC2)CC1 ZINC000012475550 539562116 /nfs/dbraw/zinc/56/21/16/539562116.db2.gz FBLLMIDWVOPAID-UHFFFAOYSA-N 1 0 362.470 2.467 50 0 FEAARO C[N@H+](CCCNC(=O)Cc1n[nH]c(=O)c2ccccc12)Cc1ccccc1 ZINC000012601722 539567134 /nfs/dbraw/zinc/56/71/34/539567134.db2.gz ROIHBNUMAXLNBV-UHFFFAOYSA-N 1 0 364.449 2.104 50 0 FEAARO C[C@@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000012989121 539581537 /nfs/dbraw/zinc/58/15/37/539581537.db2.gz YRYVNBWNEMTNEP-SJKOYZFVSA-N 1 0 373.840 2.270 50 0 FEAARO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000013113289 539583206 /nfs/dbraw/zinc/58/32/06/539583206.db2.gz RDTJWSYPNJHDND-IMJJTQAJSA-N 1 0 351.443 2.390 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccc(F)c1 ZINC000012912580 539578789 /nfs/dbraw/zinc/57/87/89/539578789.db2.gz RFDRHBIBPGBASL-INIZCTEOSA-N 1 0 357.385 2.189 50 0 FEAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000013723404 539591360 /nfs/dbraw/zinc/59/13/60/539591360.db2.gz ROALCELCFZXVKF-UHFFFAOYSA-N 1 0 362.813 2.341 50 0 FEAARO CC[C@H](CO)[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717750 539591730 /nfs/dbraw/zinc/59/17/30/539591730.db2.gz MXHNJSXLZKJPQS-OAHLLOKOSA-N 1 0 369.425 2.324 50 0 FEAARO CC(C)C[NH2+][C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014733564 539605138 /nfs/dbraw/zinc/60/51/38/539605138.db2.gz ORKIJPIBOMXOBP-KRWDZBQOSA-N 1 0 354.498 2.496 50 0 FEAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000014742202 539604694 /nfs/dbraw/zinc/60/46/94/539604694.db2.gz JWPYXMIGSUMPFE-UHFFFAOYSA-N 1 0 354.454 2.427 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CCOCC3)nc2)C1 ZINC000015063493 539610712 /nfs/dbraw/zinc/61/07/12/539610712.db2.gz HVKYYNSAYSHNAN-INIZCTEOSA-N 1 0 360.502 2.380 50 0 FEAARO Cc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1 ZINC000020999272 539679219 /nfs/dbraw/zinc/67/92/19/539679219.db2.gz JVIVJVDZBOODNL-MRXNPFEDSA-N 1 0 355.486 2.478 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc2c(c1)OCO2 ZINC000021868496 539688080 /nfs/dbraw/zinc/68/80/80/539688080.db2.gz JXHNCSDHEJTUDI-UHFFFAOYSA-N 1 0 358.394 2.082 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3cccs3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793677 539687295 /nfs/dbraw/zinc/68/72/95/539687295.db2.gz RDWABDSXCCQKHJ-UHFFFAOYSA-N 1 0 357.483 2.409 50 0 FEAARO COc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023127501 539706982 /nfs/dbraw/zinc/70/69/82/539706982.db2.gz DKZPWYVUILDTRX-UHFFFAOYSA-N 1 0 371.437 2.255 50 0 FEAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000023106559 539706029 /nfs/dbraw/zinc/70/60/29/539706029.db2.gz XZBAWNBABNKXPY-CQSZACIVSA-N 1 0 361.467 2.423 50 0 FEAARO CC(C)[C@@H](Oc1ccccc1)C(=O)N1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000023368991 539713416 /nfs/dbraw/zinc/71/34/16/539713416.db2.gz DYDYHIDCYCKLMC-GOSISDBHSA-N 1 0 357.458 2.004 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccsc1 ZINC000025332400 539756189 /nfs/dbraw/zinc/75/61/89/539756189.db2.gz ACUCSYPMMGWSOI-HOCLYGCPSA-N 1 0 359.499 2.174 50 0 FEAARO Cc1cccc(N2C[C@@H](C(=O)NC3CC[NH+](C4CC4)CC3)CC2=O)c1C ZINC000029090728 539843021 /nfs/dbraw/zinc/84/30/21/539843021.db2.gz IBOGZULBINNXTO-INIZCTEOSA-N 1 0 355.482 2.399 50 0 FEAARO O=C(CNC(=O)c1ccc(F)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029840870 539865981 /nfs/dbraw/zinc/86/59/81/539865981.db2.gz RNIAWVBDSSTIRA-UHFFFAOYSA-N 1 0 369.440 2.120 50 0 FEAARO COc1ccc(C(=O)NCc2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000032916029 539959601 /nfs/dbraw/zinc/95/96/01/539959601.db2.gz NULPTCNAYJOQNP-UHFFFAOYSA-N 1 0 353.466 2.373 50 0 FEAARO Cn1nc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c2ccccc2c1=O ZINC000032970907 539961791 /nfs/dbraw/zinc/96/17/91/539961791.db2.gz WCIGDGOEHIJSLX-CQSZACIVSA-N 1 0 356.451 2.028 50 0 FEAARO O=C(c1ccc(Cn2cncn2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000033171295 539970398 /nfs/dbraw/zinc/97/03/98/539970398.db2.gz GNSJEFLCXZOEEO-UHFFFAOYSA-N 1 0 353.470 2.417 50 0 FEAARO COCCNC(=O)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000034684086 539976664 /nfs/dbraw/zinc/97/66/64/539976664.db2.gz OMGUCOLWZLFVOS-UHFFFAOYSA-N 1 0 367.493 2.381 50 0 FEAARO O=C([C@@H]1CC(=O)N(Cc2ccccc2F)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000034918388 539978608 /nfs/dbraw/zinc/97/86/08/539978608.db2.gz FXZQVDQDLVDTPJ-QGZVFWFLSA-N 1 0 373.472 2.261 50 0 FEAARO CCOc1ccc(CN2CC[N@H+](CCCn3cccn3)C[C@H]2CCO)cc1 ZINC000036385768 539990407 /nfs/dbraw/zinc/99/04/07/539990407.db2.gz YUWZMPHKYONFJP-HXUWFJFHSA-N 1 0 372.513 2.241 50 0 FEAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)o1 ZINC000063523669 541172493 /nfs/dbraw/zinc/17/24/93/541172493.db2.gz IJUMLMFZYHBGPX-AWEZNQCLSA-N 1 0 371.393 2.236 50 0 FEAARO C[NH2+]CCN(C)c1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 ZINC000067872443 541523448 /nfs/dbraw/zinc/52/34/48/541523448.db2.gz WKWZUBREWRDOCV-SFHVURJKSA-N 1 0 370.501 2.019 50 0 FEAARO O=C(N[C@H]1C[NH2+][C@H](C(=O)N2CC=C(c3ccccc3)CC2)C1)c1ccco1 ZINC000067947520 541531566 /nfs/dbraw/zinc/53/15/66/541531566.db2.gz CRCAKCLBUASYKY-MSOLQXFVSA-N 1 0 365.433 2.056 50 0 FEAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000067967747 541534321 /nfs/dbraw/zinc/53/43/21/541534321.db2.gz IHRYYDBURATOTG-CQSZACIVSA-N 1 0 356.470 2.305 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[N@@H+]3CCCO[C@@H](Cn4cccn4)C3)cc2c1 ZINC000067975031 541534401 /nfs/dbraw/zinc/53/44/01/541534401.db2.gz ZMGXORCPVLILFT-GOSISDBHSA-N 1 0 368.437 2.024 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(CCCn3cccn3)CC2)C1)N1CCCC1 ZINC000071499122 541767407 /nfs/dbraw/zinc/76/74/07/541767407.db2.gz MLVFUKUCDJEGGA-IBGZPJMESA-N 1 0 373.545 2.072 50 0 FEAARO Cc1cccn2c(C[N@@H+]3CCC[C@H](CO)C3)c(C(=O)N3CCCCC3)nc12 ZINC000071682067 541768225 /nfs/dbraw/zinc/76/82/25/541768225.db2.gz ABJYFJBYKXWPPU-KRWDZBQOSA-N 1 0 370.497 2.473 50 0 FEAARO CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCC[C@H](C)[NH+](C)C)C1 ZINC000071751595 541770645 /nfs/dbraw/zinc/77/06/45/541770645.db2.gz KMFMPIWDPDTQBB-AWEZNQCLSA-N 1 0 368.485 2.195 50 0 FEAARO Cc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c(C)n1-n1cnnc1 ZINC000071760079 541770862 /nfs/dbraw/zinc/77/08/62/541770862.db2.gz RAUNAGJWALIEFY-KRWDZBQOSA-N 1 0 364.453 2.498 50 0 FEAARO Cc1ncc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1C ZINC000071763328 541771380 /nfs/dbraw/zinc/77/13/80/541771380.db2.gz NJTAGLQENBDBHN-UHFFFAOYSA-N 1 0 366.469 2.041 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)CCC[N@@H+]1CC1CC1 ZINC000071757204 541771527 /nfs/dbraw/zinc/77/15/27/541771527.db2.gz MJANLEJKWXPXJO-SFHVURJKSA-N 1 0 368.485 2.245 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)cc3)CC2)C1 ZINC000071767945 541772085 /nfs/dbraw/zinc/77/20/85/541772085.db2.gz HYKLNOOWWAOSEM-HXUWFJFHSA-N 1 0 373.541 2.434 50 0 FEAARO CCC[NH+]1CCC(Cc2noc(-c3cn(C[C@H]4CCCO4)nn3)n2)CC1 ZINC000072145424 541788417 /nfs/dbraw/zinc/78/84/17/541788417.db2.gz LCIWDVXJZJOMSD-OAHLLOKOSA-N 1 0 360.462 2.172 50 0 FEAARO COc1ncc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072149047 541789061 /nfs/dbraw/zinc/78/90/61/541789061.db2.gz KCLZYVNAYPOYTP-XUVXKRRUSA-N 1 0 366.465 2.253 50 0 FEAARO COc1ccc([C@@H]2CN(c3nccc(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072154703 541790498 /nfs/dbraw/zinc/79/04/98/541790498.db2.gz BVSNZLRHDGUWTE-QXAKKESOSA-N 1 0 351.454 2.134 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)C3(O)CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072165012 541794354 /nfs/dbraw/zinc/79/43/54/541794354.db2.gz TXSCDTJADAKRBC-VAMGGRTRSA-N 1 0 370.493 2.389 50 0 FEAARO COC(=O)c1ccc(Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072410944 541806939 /nfs/dbraw/zinc/80/69/39/541806939.db2.gz RJGMXNKNMZSEMA-UHFFFAOYSA-N 1 0 351.410 2.075 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 ZINC000072411308 541807643 /nfs/dbraw/zinc/80/76/43/541807643.db2.gz QYFWJJDRGXYQHW-KRWDZBQOSA-N 1 0 359.518 2.433 50 0 FEAARO CCc1nc2c(c(NCc3cccc(OCCOC)c3)n1)CC[NH2+]CC2 ZINC000072419086 541808300 /nfs/dbraw/zinc/80/83/00/541808300.db2.gz JINMHBUKWQXZES-UHFFFAOYSA-N 1 0 356.470 2.365 50 0 FEAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)C(C)(C)n3cccc3)C2)CCC1=O ZINC000072417799 541808348 /nfs/dbraw/zinc/80/83/48/541808348.db2.gz JZQSMUOXVQVZAX-OAQYLSRUSA-N 1 0 374.529 2.016 50 0 FEAARO CSCCC[N@@H+]1CCc2nc(C)nc(NC[C@@H]3CCOC3)c2CC1 ZINC000072419985 541808413 /nfs/dbraw/zinc/80/84/13/541808413.db2.gz HWBQVBQZNNWZGH-HNNXBMFYSA-N 1 0 350.532 2.387 50 0 FEAARO CCN1CC2(CC[NH+](Cc3cccc(CN4CCOCC4)c3)CC2)OC1=O ZINC000072428149 541811756 /nfs/dbraw/zinc/81/17/56/541811756.db2.gz SODLKSQRSXLOAB-UHFFFAOYSA-N 1 0 373.497 2.326 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000072454477 541817131 /nfs/dbraw/zinc/81/71/31/541817131.db2.gz XSQGRLOGIIACDP-INIZCTEOSA-N 1 0 363.550 2.387 50 0 FEAARO Cc1ccc(-c2cc(C(=O)NCc3c(C)ncc4c3CC[NH2+]C4)[nH]n2)o1 ZINC000072456800 541816556 /nfs/dbraw/zinc/81/65/56/541816556.db2.gz FOUDTUKFGYYCQQ-UHFFFAOYSA-N 1 0 351.410 2.257 50 0 FEAARO COc1coc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1=O ZINC000072480754 541821356 /nfs/dbraw/zinc/82/13/56/541821356.db2.gz YXDSIXVTNMBSNX-UHFFFAOYSA-N 1 0 368.433 2.311 50 0 FEAARO CCc1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)on1 ZINC000072477347 541820217 /nfs/dbraw/zinc/82/02/17/541820217.db2.gz ZFBQQZJVPSYXFG-OAHLLOKOSA-N 1 0 358.490 2.341 50 0 FEAARO O=C1CC2(CCCC2)CC(=O)N1CC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000001999423 204023158 /nfs/dbraw/zinc/02/31/58/204023158.db2.gz BVMYCHKQPGEOSI-OAHLLOKOSA-N 1 0 358.438 2.125 50 0 investigational FEAARO Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCC[NH+](C)C)cc1 ZINC000002065394 204024966 /nfs/dbraw/zinc/02/49/66/204024966.db2.gz MFFJBDCSKBQWPF-NBVRZTHBSA-N 1 0 355.438 2.427 50 0 FEAARO CN1CCC([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000003305619 204089649 /nfs/dbraw/zinc/08/96/49/204089649.db2.gz HSCLWTMHLZQAQR-HNNXBMFYSA-N 1 0 357.292 2.215 50 0 FEAARO CCCC[N@H+](C)CCNC(=O)c1cc2c(c3ccccc3[nH]c2=O)n1C ZINC000006771863 204268054 /nfs/dbraw/zinc/26/80/54/204268054.db2.gz KDPXDVBKEXKAML-UHFFFAOYSA-N 1 0 354.454 2.482 50 0 FEAARO O=C(C1CC[NH+](Cc2ccccn2)CC1)N(CCO)Cc1ccccc1 ZINC000008986542 204350727 /nfs/dbraw/zinc/35/07/27/204350727.db2.gz QXDMYXGREPYYMC-UHFFFAOYSA-N 1 0 353.466 2.315 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C(C)(C)C ZINC000009313681 204362641 /nfs/dbraw/zinc/36/26/41/204362641.db2.gz SDVTXOJSKFEFSW-UHFFFAOYSA-N 1 0 367.515 2.496 50 0 FEAARO COc1cc2nc(CSC3=[NH+][C@H]4CCCC[C@@H]4N3)[nH]c(=O)c2cc1OC ZINC000009478028 204370049 /nfs/dbraw/zinc/37/00/49/204370049.db2.gz YTIIQYMXVIFUEL-RYUDHWBXSA-N 1 0 374.466 2.444 50 0 FEAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000012865906 204503252 /nfs/dbraw/zinc/50/32/52/204503252.db2.gz QAPCXHUSJBARQH-USXIJHARSA-N 1 0 352.500 2.007 50 0 FEAARO Cc1cc(C)cc(C(=O)NCC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000031338708 204915967 /nfs/dbraw/zinc/91/59/67/204915967.db2.gz GPPSBNQCIRHVLM-UHFFFAOYSA-N 1 0 365.477 2.208 50 0 FEAARO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036386882 205013819 /nfs/dbraw/zinc/01/38/19/205013819.db2.gz CYBLQKAJJGAVSR-QLFBSQMISA-N 1 0 367.515 2.242 50 0 FEAARO Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)N2CCC[C@H](C)C2)CC1 ZINC000036393044 205015234 /nfs/dbraw/zinc/01/52/34/205015234.db2.gz ZNENRXPPAFBENG-KRWDZBQOSA-N 1 0 365.543 2.479 50 0 FEAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnc2c(c1)ncn2C ZINC000038534138 205041977 /nfs/dbraw/zinc/04/19/77/205041977.db2.gz OZKRAZLMOBRBLR-SJORKVTESA-N 1 0 350.422 2.357 50 0 FEAARO COc1ccc(CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000048333485 205160147 /nfs/dbraw/zinc/16/01/47/205160147.db2.gz VSSIZGYGTVIGDM-UHFFFAOYSA-N 1 0 364.461 2.338 50 0 FEAARO COc1cccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1 ZINC000049421006 205172299 /nfs/dbraw/zinc/17/22/99/205172299.db2.gz VUXQVBFXRBONCZ-SFHVURJKSA-N 1 0 366.465 2.351 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1COc2ccccc2O1 ZINC000053990318 205196874 /nfs/dbraw/zinc/19/68/74/205196874.db2.gz CAUPWYPXIKKOFN-LJQANCHMSA-N 1 0 353.422 2.002 50 0 FEAARO COc1ccc(C)cc1[C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000056398892 205231597 /nfs/dbraw/zinc/23/15/97/205231597.db2.gz VNCJFEDJOGNQIL-KRWDZBQOSA-N 1 0 362.518 2.391 50 0 FEAARO CS(=O)(=O)c1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058195868 205258705 /nfs/dbraw/zinc/25/87/05/205258705.db2.gz UAFRGZBDQNYVET-UHFFFAOYSA-N 1 0 350.484 2.181 50 0 FEAARO O=C(CCn1cnc2ccccc2c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058215999 205261646 /nfs/dbraw/zinc/26/16/46/205261646.db2.gz APBHAAJDMPPBAD-UHFFFAOYSA-N 1 0 368.481 2.264 50 0 FEAARO O[C@@H](COc1ccc(Br)cc1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000064571033 205300877 /nfs/dbraw/zinc/30/08/77/205300877.db2.gz MSTGNFIZWBWADL-HZPDHXFCSA-N 1 0 369.303 2.359 50 0 FEAARO CC1CC[NH+](CCNC(=O)c2nc(-c3ccc(N(C)C)cc3)no2)CC1 ZINC000064746624 205302880 /nfs/dbraw/zinc/30/28/80/205302880.db2.gz PUSUZZSQOGZSAI-UHFFFAOYSA-N 1 0 357.458 2.264 50 0 FEAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(-n2nnc3cccnc32)c1 ZINC000064925410 205309467 /nfs/dbraw/zinc/30/94/67/205309467.db2.gz ARAUJGIIWUCIBP-UHFFFAOYSA-N 1 0 364.453 2.421 50 0 FEAARO Cc1cc(C)n(CC2(Cn3cnc4sc5c(c4c3=O)CC[NH2+]C5)CC2)n1 ZINC000065462153 205352568 /nfs/dbraw/zinc/35/25/68/205352568.db2.gz QANHSPOZDHUCAJ-UHFFFAOYSA-N 1 0 369.494 2.397 50 0 FEAARO O=C(CCNC(=O)c1ccc(F)cc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065475282 205354376 /nfs/dbraw/zinc/35/43/76/205354376.db2.gz MGLVFEULLZWEIB-CQSZACIVSA-N 1 0 367.852 2.296 50 0 FEAARO COc1cccc2c1OC[C@H](n1cnc3sc4c(c3c1=O)CC[NH2+]C4)C2 ZINC000065492723 205355671 /nfs/dbraw/zinc/35/56/71/205355671.db2.gz CUIFEBUPRCPWFQ-GFCCVEGCSA-N 1 0 369.446 2.289 50 0 FEAARO c1c(C[NH2+]C[C@@H]2COCCO2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000065563093 205360095 /nfs/dbraw/zinc/36/00/95/205360095.db2.gz XTMAQZPFPKXCLC-LJQANCHMSA-N 1 0 350.422 2.439 50 0 FEAARO O=C(CCCNC(=O)c1ccc(F)cc1F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065592974 205360315 /nfs/dbraw/zinc/36/03/15/205360315.db2.gz ZYPAURNAPVOSEF-OAHLLOKOSA-N 1 0 365.424 2.172 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000065329477 205336720 /nfs/dbraw/zinc/33/67/20/205336720.db2.gz ALBGKKQEVGPNOC-AWEZNQCLSA-N 1 0 360.458 2.219 50 0 FEAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2ccc(F)cc2F)[nH+]1 ZINC000065363924 205339782 /nfs/dbraw/zinc/33/97/82/205339782.db2.gz GKCYHZALGKDNFQ-UHFFFAOYSA-N 1 0 350.373 2.363 50 0 FEAARO CCN(C(C)=O)[C@H]1CCN(c2nc(CC[NH3+])nc3sc(C)c(C)c32)C1 ZINC000065406478 205348637 /nfs/dbraw/zinc/34/86/37/205348637.db2.gz ABHHTBYJQFAQBI-AWEZNQCLSA-N 1 0 361.515 2.256 50 0 FEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000066948610 205366858 /nfs/dbraw/zinc/36/68/58/205366858.db2.gz HXJPAUZEQJGWGK-OALUTQOASA-N 1 0 357.498 2.020 50 0 FEAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000067434838 205371192 /nfs/dbraw/zinc/37/11/92/205371192.db2.gz SHEHVNJAXMASIE-KRWDZBQOSA-N 1 0 365.437 2.400 50 0 FEAARO CCCc1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)ccn1 ZINC000067514400 205374735 /nfs/dbraw/zinc/37/47/35/205374735.db2.gz JOCCJCGEMLOCCR-UHFFFAOYSA-N 1 0 353.470 2.111 50 0 FEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccs3)CC2)C1 ZINC000067673115 205380034 /nfs/dbraw/zinc/38/00/34/205380034.db2.gz INFKZZONQXLOEU-INIZCTEOSA-N 1 0 365.543 2.187 50 0 FEAARO Cn1ccnc1-c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)nn1 ZINC000067688663 205384020 /nfs/dbraw/zinc/38/40/20/205384020.db2.gz VNXJNMAYILHFFC-UHFFFAOYSA-N 1 0 356.474 2.324 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000067713577 205385653 /nfs/dbraw/zinc/38/56/53/205385653.db2.gz UFTRDFYNZHTSKO-PBHICJAKSA-N 1 0 356.470 2.195 50 0 FEAARO O=C(c1ccc(N2CCCCCC2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067726122 205387142 /nfs/dbraw/zinc/38/71/42/205387142.db2.gz XRFWLGWZGYYUSB-UHFFFAOYSA-N 1 0 372.513 2.399 50 0 FEAARO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)CC1 ZINC000067774457 205390583 /nfs/dbraw/zinc/39/05/83/205390583.db2.gz IJLGEWJEQLVMLO-UHFFFAOYSA-N 1 0 374.938 2.269 50 0 FEAARO O=C1N[C@@](Cc2cccc(F)c2)(C2CC[NH2+]CC2)C(=O)N1CCCF ZINC000067804531 205393242 /nfs/dbraw/zinc/39/32/42/205393242.db2.gz ODYPZATWYJXMIJ-SFHVURJKSA-N 1 0 351.397 2.018 50 0 FEAARO C[C@H](c1nc(CC2CC[NH+](C)CC2)no1)c1n[nH]c(=O)c2ccccc21 ZINC000067850852 205398113 /nfs/dbraw/zinc/39/81/13/205398113.db2.gz CRUCINHLFLCZGL-LBPRGKRZSA-N 1 0 353.426 2.342 50 0 FEAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)[nH]n1 ZINC000067856866 205398150 /nfs/dbraw/zinc/39/81/50/205398150.db2.gz LQSDLFCCXGWDLP-OAQYLSRUSA-N 1 0 370.497 2.485 50 0 FEAARO Cc1cc(C[NH+]2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)on1 ZINC000067872903 205398728 /nfs/dbraw/zinc/39/87/28/205398728.db2.gz NUOKOQWOPWEGDG-UHFFFAOYSA-N 1 0 367.453 2.322 50 0 FEAARO CC(C)c1nnc(NC(=O)NCc2cccnc2NCC[NH+](C)C)s1 ZINC000072306008 205506578 /nfs/dbraw/zinc/50/65/78/205506578.db2.gz AWDAFFXNYWLAQT-UHFFFAOYSA-N 1 0 363.491 2.352 50 0 FEAARO Cc1nc2c(c(NCCCc3nc4ccccc4n3C)n1)CC[NH2+]CC2 ZINC000072410654 205532381 /nfs/dbraw/zinc/53/23/81/205532381.db2.gz ZSKKCKCEBUJVRW-UHFFFAOYSA-N 1 0 350.470 2.405 50 0 FEAARO COc1ccccc1-c1cc(CNc2ncnc3c2CC[NH2+]CC3)on1 ZINC000072410884 205533248 /nfs/dbraw/zinc/53/32/48/205533248.db2.gz WORWMTBZLRXOFF-UHFFFAOYSA-N 1 0 351.410 2.441 50 0 FEAARO O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077407093 205597524 /nfs/dbraw/zinc/59/75/24/205597524.db2.gz XIASKXHZIAIUQO-HXUWFJFHSA-N 1 0 354.454 2.140 50 0 FEAARO O=C(CCC[NH+]1CCCC1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091519277 205678712 /nfs/dbraw/zinc/67/87/12/205678712.db2.gz DGJHFZIAHSYTNG-UHFFFAOYSA-N 1 0 356.470 2.288 50 0 FEAARO CC1(C(=O)N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)CC[NH2+]CC1 ZINC000095386416 205748410 /nfs/dbraw/zinc/74/84/10/205748410.db2.gz OTNZWDNDQXKDPA-KRWDZBQOSA-N 1 0 355.482 2.041 50 0 FEAARO Cc1c(CC(=O)N2CC[C@H]([NH3+])C2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095508569 205775652 /nfs/dbraw/zinc/77/56/52/205775652.db2.gz JXBLICQZQBMHCL-KRWDZBQOSA-N 1 0 365.477 2.466 50 0 FEAARO C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000095941427 205795359 /nfs/dbraw/zinc/79/53/59/205795359.db2.gz BCQBYCYJRYPZTQ-INIZCTEOSA-N 1 0 363.477 2.065 50 0 FEAARO C[NH+]1CCC(Cc2nc(CN3CCOCC3)n(-c3ccc(F)cc3)n2)CC1 ZINC000096150296 205835506 /nfs/dbraw/zinc/83/55/06/205835506.db2.gz HWAXRHRYSNAKNP-UHFFFAOYSA-N 1 0 373.476 2.123 50 0 FEAARO Cc1nc(-c2cc(-c3c(C)nn(C)c3C)nn2C)n(C2CC[NH+](C)CC2)n1 ZINC000096152111 205836938 /nfs/dbraw/zinc/83/69/38/205836938.db2.gz MQMOOFOKWCPPCM-UHFFFAOYSA-N 1 0 368.489 2.271 50 0 FEAARO CN1C(=O)CC[C@H](C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237053947 206079569 /nfs/dbraw/zinc/07/95/69/206079569.db2.gz GCHSXBUHPYRCRJ-DZKIICNBSA-N 1 0 369.387 2.175 50 0 FEAARO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000237360322 206101558 /nfs/dbraw/zinc/10/15/58/206101558.db2.gz KRSYQMCIFBWESP-UHFFFAOYSA-N 1 0 354.369 2.465 50 0 FEAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000238047131 206113221 /nfs/dbraw/zinc/11/32/21/206113221.db2.gz MCOLPLJXPQDHLJ-SNVBAGLBSA-N 1 0 350.216 2.266 50 0 FEAARO NC(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000122403633 206113929 /nfs/dbraw/zinc/11/39/29/206113929.db2.gz UEOPVSZRGQHBDS-UHFFFAOYSA-N 1 0 372.856 2.228 50 0 FEAARO C[C@H]1CN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC[NH2+]1 ZINC000237769706 206109779 /nfs/dbraw/zinc/10/97/79/206109779.db2.gz BCHDOXAYQMDVSJ-HNNXBMFYSA-N 1 0 350.422 2.347 50 0 FEAARO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@H]1C ZINC000102407610 206228048 /nfs/dbraw/zinc/22/80/48/206228048.db2.gz VMFGFLCXPLOUOF-KEYYUXOJSA-N 1 0 367.515 2.290 50 0 FEAARO COc1ccc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)cc1Cn1cccn1 ZINC000104319740 206238036 /nfs/dbraw/zinc/23/80/36/206238036.db2.gz LTHSJAIIRNIRGN-HXUWFJFHSA-N 1 0 372.513 2.217 50 0 FEAARO Cc1cc(C)c(N(C[C@H](O)C[NH2+]Cc2ccco2)S(C)(=O)=O)c(C)c1 ZINC000016839713 206320960 /nfs/dbraw/zinc/32/09/60/206320960.db2.gz GYIZLAJVJXVEKY-MRXNPFEDSA-N 1 0 366.483 2.122 50 0 FEAARO CCc1c(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)c(=O)cc(C)n1C ZINC000019608330 206333815 /nfs/dbraw/zinc/33/38/15/206333815.db2.gz CNVAWVQAWWAUSR-UHFFFAOYSA-N 1 0 365.437 2.322 50 0 FEAARO c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc(OCCN2CCOCC2)c1 ZINC000214976961 206343727 /nfs/dbraw/zinc/34/37/27/206343727.db2.gz XQIRYDVVWXXITN-OAQYLSRUSA-N 1 0 373.541 2.458 50 0 FEAARO c1cn(CCOc2ccccc2CN2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000215082079 206344089 /nfs/dbraw/zinc/34/40/89/206344089.db2.gz MGYORLCNMLHOLE-UHFFFAOYSA-N 1 0 370.497 2.259 50 0 FEAARO CCc1c(C)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)n1C ZINC000215927967 206350969 /nfs/dbraw/zinc/35/09/69/206350969.db2.gz NKFUERYZXFNRHA-KRWDZBQOSA-N 1 0 353.466 2.260 50 0 FEAARO c1nc(C2CC[NH+](Cc3ccc(OCCN4CCOCC4)cc3)CC2)no1 ZINC000215821233 206351700 /nfs/dbraw/zinc/35/17/00/206351700.db2.gz BTHWKPQNELMHBL-UHFFFAOYSA-N 1 0 372.469 2.160 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000216082324 206354377 /nfs/dbraw/zinc/35/43/77/206354377.db2.gz WFAWFXJKEKNNPQ-UHFFFAOYSA-N 1 0 369.431 2.486 50 0 FEAARO COc1ccc(-n2cccn2)c(CN2CCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000216353369 206357305 /nfs/dbraw/zinc/35/73/05/206357305.db2.gz NJWSIGSSKFKSLC-UHFFFAOYSA-N 1 0 365.437 2.167 50 0 FEAARO CC[NH+](CC)Cc1ccccc1NCC(=O)NC(=O)NCC(F)(F)F ZINC000055869177 206381929 /nfs/dbraw/zinc/38/19/29/206381929.db2.gz BKGOCCLEDCBSRB-UHFFFAOYSA-N 1 0 360.380 2.328 50 0 FEAARO CC[N@H+](CCN1CCOCC1)Cc1cc2c(cc1OC)OCCCO2 ZINC000219477783 206385184 /nfs/dbraw/zinc/38/51/84/206385184.db2.gz LHNXENUZFVZMMZ-UHFFFAOYSA-N 1 0 350.459 2.011 50 0 FEAARO CCOc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OC ZINC000022074632 206365487 /nfs/dbraw/zinc/36/54/87/206365487.db2.gz RZZHIRNTSFFCGW-UHFFFAOYSA-N 1 0 364.467 2.074 50 0 FEAARO COc1ccc([C@H](CNC(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022778408 206392157 /nfs/dbraw/zinc/39/21/57/206392157.db2.gz PTSLJLVCAKADSV-FQEVSTJZSA-N 1 0 353.466 2.414 50 0 FEAARO C[NH+]1CCN([C@H](CNS(=O)(=O)c2cccs2)c2ccsc2)CC1 ZINC000022767098 206392237 /nfs/dbraw/zinc/39/22/37/206392237.db2.gz LPGRKDINPGRAQX-CQSZACIVSA-N 1 0 371.553 2.077 50 0 FEAARO CCCC(=O)N1CCC[C@H](C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000075092040 542151313 /nfs/dbraw/zinc/15/13/13/542151313.db2.gz FHHBVEPYFITXKU-KRWDZBQOSA-N 1 0 367.534 2.031 50 0 FEAARO COc1ccc(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)cc1OC ZINC000252550139 206580328 /nfs/dbraw/zinc/58/03/28/206580328.db2.gz SAKUGTRIBIQOSE-SHTZXODSSA-N 1 0 371.485 2.467 50 0 FEAARO Cc1nc(C(C)C)sc1C(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077299894 542363375 /nfs/dbraw/zinc/36/33/75/542363375.db2.gz OSRITHYMEJNGQY-INIZCTEOSA-N 1 0 362.543 2.427 50 0 FEAARO CN1CC[C@H]([N@H+](C)CCC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000077407717 542379284 /nfs/dbraw/zinc/37/92/84/542379284.db2.gz PHOFKPCFOXVUEG-IBGZPJMESA-N 1 0 359.514 2.220 50 0 FEAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000077438388 542381704 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Cn1cc(N2CC[C@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cn1 ZINC000084318594 542711105 /nfs/dbraw/zinc/71/11/05/542711105.db2.gz IXGPTZUYYNMBDH-SFHVURJKSA-N 1 0 364.453 2.281 50 0 FEAARO COc1ccc(-c2nccn2CC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000077338732 132181432 /nfs/dbraw/zinc/18/14/32/132181432.db2.gz KHMPCKVNBYMAAL-UHFFFAOYSA-N 1 0 364.453 2.171 50 0 FEAARO CN1CC2(CC[NH+](CCC(=O)N3CCCc4ccccc43)CC2)OC1=O ZINC000077437025 132184732 /nfs/dbraw/zinc/18/47/32/132184732.db2.gz RWMAUGGBNQBGIX-UHFFFAOYSA-N 1 0 357.454 2.273 50 0 FEAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)nc(N)[nH+]1 ZINC000095373327 132208773 /nfs/dbraw/zinc/20/87/73/132208773.db2.gz KZZUOMOQCNRQCR-CYBMUJFWSA-N 1 0 355.471 2.453 50 0 FEAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012569675 132267416 /nfs/dbraw/zinc/26/74/16/132267416.db2.gz RJINPVDNXGHIQD-JKSUJKDBSA-N 1 0 358.486 2.201 50 0 FEAARO Cc1cnc(C)c(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230178908 132288972 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FEAARO CCn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)cc1C ZINC000091487144 542810862 /nfs/dbraw/zinc/81/08/62/542810862.db2.gz UURQBXZSPPYIMG-ZWKOTPCHSA-N 1 0 353.470 2.343 50 0 FEAARO COc1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](CN4CCOCC4)C3)ccc2c1 ZINC000091548068 542812234 /nfs/dbraw/zinc/81/22/34/542812234.db2.gz LFWFAVIUERKGFA-NHCUHLMSSA-N 1 0 370.493 2.221 50 0 FEAARO c1cnn(-c2ccccc2Cn2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000091586538 542814246 /nfs/dbraw/zinc/81/42/46/542814246.db2.gz MVYAEEWFBPLEJY-UHFFFAOYSA-N 1 0 374.452 2.300 50 0 FEAARO O=C(N1C[C@H](O)CO1)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000091636516 542817192 /nfs/dbraw/zinc/81/71/92/542817192.db2.gz HUNGILYIRKZIGN-FQEVSTJZSA-N 1 0 366.461 2.355 50 0 FEAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cccc4nonc43)C2)N1Cc1ccccn1 ZINC000091707867 542821499 /nfs/dbraw/zinc/82/14/99/542821499.db2.gz CVHIURZIISSKNK-DOTOQJQBSA-N 1 0 363.421 2.241 50 0 FEAARO CNc1ncc(C(=O)N[C@H]2C[N@H+](CCC(F)(F)F)C[C@@H]2C(C)C)cn1 ZINC000091872705 542830246 /nfs/dbraw/zinc/83/02/46/542830246.db2.gz HSEHIOWQPQECQG-OLZOCXBDSA-N 1 0 359.396 2.157 50 0 FEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000091894214 542831219 /nfs/dbraw/zinc/83/12/19/542831219.db2.gz RBGARLDCVXACPF-UHFFFAOYSA-N 1 0 360.454 2.430 50 0 FEAARO Cc1nc(CC(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)cs1 ZINC000091943306 542833170 /nfs/dbraw/zinc/83/31/70/542833170.db2.gz ZGEGHRNOEQOTAR-UHFFFAOYSA-N 1 0 361.515 2.158 50 0 FEAARO CCNc1ncc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000091943605 542833656 /nfs/dbraw/zinc/83/36/56/542833656.db2.gz CSNJTKPXSJMLAK-UHFFFAOYSA-N 1 0 353.470 2.345 50 0 FEAARO Cc1cccc2[nH]c(C3CCN(C(=O)CN4CC[C@H]([NH+](C)C)C4)CC3)nc21 ZINC000091986937 542835227 /nfs/dbraw/zinc/83/52/27/542835227.db2.gz AUFQJEHBSPHXHS-KRWDZBQOSA-N 1 0 369.513 2.213 50 0 FEAARO CN1CC[C@@]2(CN(Cc3ccc(OC(F)F)cc3)CC[N@@H+]2C)CCC1=O ZINC000092037845 542840702 /nfs/dbraw/zinc/84/07/02/542840702.db2.gz RZPKDPOTWQCQBB-LJQANCHMSA-N 1 0 367.440 2.417 50 0 FEAARO O=C1CCC2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)CN1CCO ZINC000092062363 542842113 /nfs/dbraw/zinc/84/21/13/542842113.db2.gz JHQCESGSXOIWHK-UHFFFAOYSA-N 1 0 368.481 2.069 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccn(C(F)F)n2)C1 ZINC000095372168 542962542 /nfs/dbraw/zinc/96/25/42/542962542.db2.gz VWXBPTFDHLTFFY-CYBMUJFWSA-N 1 0 366.416 2.056 50 0 FEAARO Cc1cccc(N2CCC([NH+]3CCN(CCn4cncn4)CC3)CC2)c1C ZINC000065536765 136136682 /nfs/dbraw/zinc/13/66/82/136136682.db2.gz AQHUCJJNKTVLAE-UHFFFAOYSA-N 1 0 368.529 2.182 50 0 FEAARO CCN1CC2(CC[NH+](CC(=O)NC3CC3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095374951 542963664 /nfs/dbraw/zinc/96/36/64/542963664.db2.gz OUOGPBIOSKXUJZ-IBGZPJMESA-N 1 0 369.509 2.383 50 0 FEAARO CCCc1cncnc1N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072418374 136145621 /nfs/dbraw/zinc/14/56/21/136145621.db2.gz MVTARXNWZQNRJJ-HXUWFJFHSA-N 1 0 359.518 2.200 50 0 FEAARO Cc1cc(N2CCN(Cc3cnc(N4CCCC4)nc3)CC2)cc(C)[nH+]1 ZINC000072411902 136145688 /nfs/dbraw/zinc/14/56/88/136145688.db2.gz VVUXDYNQOGWSEO-UHFFFAOYSA-N 1 0 352.486 2.411 50 0 FEAARO Cc1cc2cccc(C(=O)N3CC[N@@H+](C)[C@@]4(C3)CCNC(=O)CC4)c2o1 ZINC000095375788 542963827 /nfs/dbraw/zinc/96/38/27/542963827.db2.gz HDJDWNNBCNMXFO-HXUWFJFHSA-N 1 0 355.438 2.168 50 0 FEAARO Cc1cc2nc(C)cc(N3CCC([C@@H](C)[NH+]4CCN(C)CC4)CC3)n2n1 ZINC000072462639 136148761 /nfs/dbraw/zinc/14/87/61/136148761.db2.gz CVTXYESERUVYBM-QGZVFWFLSA-N 1 0 356.518 2.198 50 0 FEAARO CCCc1nc2c(cnn2C)c(N2CCC([NH+]3CCSCC3)CC2)n1 ZINC000072477255 136149391 /nfs/dbraw/zinc/14/93/91/136149391.db2.gz YYXGGPVNWVGBHS-UHFFFAOYSA-N 1 0 360.531 2.333 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3ncc(F)cn3)C[C@@H]2CCO)c(C)c1C ZINC000072479434 136149749 /nfs/dbraw/zinc/14/97/49/136149749.db2.gz UYHDTFIAYCXDTR-SFHVURJKSA-N 1 0 374.460 2.314 50 0 FEAARO NC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3cccc(-c4cc[nH]n4)c3)CC2)C1 ZINC000023398419 136152930 /nfs/dbraw/zinc/15/29/30/136152930.db2.gz JTDAFWHZIVAMQV-MRXNPFEDSA-N 1 0 353.470 2.243 50 0 FEAARO Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095354708 542958120 /nfs/dbraw/zinc/95/81/20/542958120.db2.gz NFAHOVZFPHYIRO-OAHLLOKOSA-N 1 0 355.446 2.044 50 0 FEAARO CCN1CC[C@@]2(CN(C(=O)Cc3cc(C)ccc3C)CC[N@@H+]2C)CCC1=O ZINC000095354757 542958422 /nfs/dbraw/zinc/95/84/22/542958422.db2.gz WVENLDJDPCCJNO-JOCHJYFZSA-N 1 0 371.525 2.391 50 0 FEAARO CN(C)[C@@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000095366653 542960870 /nfs/dbraw/zinc/96/08/70/542960870.db2.gz JRXJBDWLTHIXEQ-LJQANCHMSA-N 1 0 363.477 2.188 50 0 FEAARO CCC[C@H]1CN(S(=O)(=O)c2cc(-c3ccno3)ccc2OC)C[C@@H]1[NH3+] ZINC000095381885 542965280 /nfs/dbraw/zinc/96/52/80/542965280.db2.gz KIXCFDIOMRBRGS-KBPBESRZSA-N 1 0 365.455 2.098 50 0 FEAARO COc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095379214 542964362 /nfs/dbraw/zinc/96/43/62/542964362.db2.gz QDWMBLYAHBCUAC-QGZVFWFLSA-N 1 0 356.470 2.473 50 0 FEAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCc2nncn2CCc2ccccc2)C1 ZINC000095515118 542978285 /nfs/dbraw/zinc/97/82/85/542978285.db2.gz UHCCSXSTGWTOHY-GOSISDBHSA-N 1 0 355.486 2.257 50 0 FEAARO CCn1cncc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000095501170 542973946 /nfs/dbraw/zinc/97/39/46/542973946.db2.gz UJHAZAXCFGKRHB-HNNXBMFYSA-N 1 0 370.453 2.274 50 0 FEAARO CCn1cncc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000095501169 542973985 /nfs/dbraw/zinc/97/39/85/542973985.db2.gz UJHAZAXCFGKRHB-OAHLLOKOSA-N 1 0 370.453 2.274 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(-n3ccnc3)cc2)CC1 ZINC000095503764 542975062 /nfs/dbraw/zinc/97/50/62/542975062.db2.gz LDSANRGWBYADCR-LJQANCHMSA-N 1 0 357.458 2.183 50 0 FEAARO Cc1nc2c(c(NCC[N@@H+]3CCC[C@@H](CO)C3)n1)Cc1ccccc1OC2 ZINC000095507130 542976399 /nfs/dbraw/zinc/97/63/99/542976399.db2.gz SRNMZNDZDUQFSX-MRXNPFEDSA-N 1 0 368.481 2.384 50 0 FEAARO O=C(CCc1ccc(O)cc1)N1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095523487 542980135 /nfs/dbraw/zinc/98/01/35/542980135.db2.gz ODBHJPDFQDZIRE-FQEVSTJZSA-N 1 0 354.450 2.030 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2nncn2C)C1 ZINC000095521857 542980284 /nfs/dbraw/zinc/98/02/84/542980284.db2.gz PTIVKQQEWVFJDP-QGZVFWFLSA-N 1 0 357.502 2.210 50 0 FEAARO O=C(NC[C@H]1COc2ccccc2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095526474 542980790 /nfs/dbraw/zinc/98/07/90/542980790.db2.gz BNWRICOSAZFABY-INIZCTEOSA-N 1 0 358.482 2.245 50 0 FEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000096279700 542997922 /nfs/dbraw/zinc/99/79/22/542997922.db2.gz CUCRVNRGTXEBAR-INIZCTEOSA-N 1 0 370.405 2.134 50 0 FEAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343830 542998612 /nfs/dbraw/zinc/99/86/12/542998612.db2.gz AHAIRZAPYGTJAM-CRAIPNDOSA-N 1 0 368.481 2.236 50 0 FEAARO Cc1nn(C)cc1CN1CC[C@@](O)(c2ccccc2)[C@H]([NH+]2CCCC2)C1 ZINC000097077848 543003849 /nfs/dbraw/zinc/00/38/49/543003849.db2.gz SUTFFRKMIOLSRR-NHCUHLMSSA-N 1 0 354.498 2.286 50 0 FEAARO O=c1cc(C[NH+]2CCCCC2)nc2[nH]c(NCc3ccc(F)cc3)nn21 ZINC000101796466 543045988 /nfs/dbraw/zinc/04/59/88/543045988.db2.gz LNBAZXKYPBETDY-UHFFFAOYSA-N 1 0 356.405 2.155 50 0 FEAARO Cc1ccsc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112505845 543449665 /nfs/dbraw/zinc/44/96/65/543449665.db2.gz RDSDYBYCFSYWCL-MRXNPFEDSA-N 1 0 373.526 2.442 50 0 FEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000126431398 543935533 /nfs/dbraw/zinc/93/55/33/543935533.db2.gz YFXLESXHLFNJDA-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO C[C@@](C[NH3+])(NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1 ZINC000154887271 544962363 /nfs/dbraw/zinc/96/23/63/544962363.db2.gz IQHRUCIZPPXTPI-SFHVURJKSA-N 1 0 350.484 2.260 50 0 FEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)N1CCOc2ccc(Cl)cc2C1 ZINC000426419670 263582628 /nfs/dbraw/zinc/58/26/28/263582628.db2.gz CLGDKRCWMJUULG-CQSZACIVSA-N 1 0 374.872 2.425 50 0 FEAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000048686455 324670182 /nfs/dbraw/zinc/67/01/82/324670182.db2.gz OFNKUTFPFHLBJX-CQSZACIVSA-N 1 0 353.875 2.419 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262304435 328857977 /nfs/dbraw/zinc/85/79/77/328857977.db2.gz ATBOLAZVFDKBDR-HLLBOEOZSA-N 1 0 356.470 2.046 50 0 FEAARO CC(=O)N[C@H](CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1c(F)cccc1F ZINC000247114766 519695156 /nfs/dbraw/zinc/69/51/56/519695156.db2.gz LXRMOODHEDLBPS-AXAPSJFSSA-N 1 0 353.413 2.118 50 0 FEAARO CCN1C[C@]2(CCC[N@H+](CC(=O)NCc3ccccc3OC)C2)CCC1=O ZINC000091663000 521730054 /nfs/dbraw/zinc/73/00/54/521730054.db2.gz UGUJGDWWLJZRLJ-OAQYLSRUSA-N 1 0 373.497 2.036 50 0 FEAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000091452765 521882260 /nfs/dbraw/zinc/88/22/60/521882260.db2.gz GJNCIEZAQJUOCD-HUUCEWRRSA-N 1 0 358.404 2.267 50 0 FEAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000269116544 522081585 /nfs/dbraw/zinc/08/15/85/522081585.db2.gz URQBXGQVSAAODT-SNVBAGLBSA-N 1 0 355.232 2.249 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000178974979 522090432 /nfs/dbraw/zinc/09/04/32/522090432.db2.gz OPHRIMZRDQHJHW-GFCCVEGCSA-N 1 0 363.259 2.316 50 0 FEAARO COc1ccc(-n2ccnc2CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cc1 ZINC000020598923 523338512 /nfs/dbraw/zinc/33/85/12/523338512.db2.gz JBYQRENLYCYFIF-IBGZPJMESA-N 1 0 372.513 2.406 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2c(F)ccc(C)c2Cl)C[C@@H]1CO ZINC000091663492 523620163 /nfs/dbraw/zinc/62/01/63/523620163.db2.gz DUKRONJTHPHQCU-ZIAGYGMSSA-N 1 0 372.868 2.046 50 0 FEAARO C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000242389389 524240172 /nfs/dbraw/zinc/24/01/72/524240172.db2.gz ZWTVOKBXRWDHIR-AEFFLSMTSA-N 1 0 351.516 2.217 50 0 FEAARO Cc1cc(C)nc(-n2cc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)c(C(C)C)n2)n1 ZINC000153581103 524574124 /nfs/dbraw/zinc/57/41/24/524574124.db2.gz BWFXHXDWWMIOTB-HUUCEWRRSA-N 1 0 356.474 2.225 50 0 FEAARO Cc1cccc(OCC(=O)N2CCC(C[N@H+]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000085468256 524711941 /nfs/dbraw/zinc/71/19/41/524711941.db2.gz ICSPFYIPSWZGPG-SFHVURJKSA-N 1 0 359.514 2.248 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000156558155 524859794 /nfs/dbraw/zinc/85/97/94/524859794.db2.gz ALRBGTSGNRADCW-JQWIXIFHSA-N 1 0 364.389 2.180 50 0 FEAARO C[C@@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000155185560 524888347 /nfs/dbraw/zinc/88/83/47/524888347.db2.gz UFLKMRXDWYTURQ-SNVBAGLBSA-N 1 0 367.222 2.208 50 0 FEAARO Cc1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)cc(C)[nH+]1 ZINC000091644140 525075843 /nfs/dbraw/zinc/07/58/43/525075843.db2.gz SKGVISMZKTYQCN-QGZVFWFLSA-N 1 0 370.497 2.138 50 0 FEAARO Cc1cccnc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091664196 525512111 /nfs/dbraw/zinc/51/21/11/525512111.db2.gz JDOXNYPABNCBLH-UHFFFAOYSA-N 1 0 351.458 2.143 50 0 FEAARO C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H]1C[NH3+] ZINC000156963706 526266912 /nfs/dbraw/zinc/26/69/12/526266912.db2.gz BTGNHZSOBCEZEE-GXFFZTMASA-N 1 0 364.389 2.180 50 0 FEAARO O[C@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019848490 526285038 /nfs/dbraw/zinc/28/50/38/526285038.db2.gz XZSVDAGMYFUYLW-IBGZPJMESA-N 1 0 370.449 2.115 50 0 FEAARO Cc1nc(C(=O)N(C)[C@H]2CC[NH2+]C2)nn1-c1c(Cl)cccc1Cl ZINC000179123795 526636660 /nfs/dbraw/zinc/63/66/60/526636660.db2.gz RTVNKSSOLIHOPH-JTQLQIEISA-N 1 0 354.241 2.316 50 0 FEAARO O=C(c1cccc(OCn2cc(Cl)cn2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000020606108 526774326 /nfs/dbraw/zinc/77/43/26/526774326.db2.gz AHCVVAKDXVBJQV-INIZCTEOSA-N 1 0 360.845 2.493 50 0 FEAARO Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000252670096 527104155 /nfs/dbraw/zinc/10/41/55/527104155.db2.gz JNTZBBBLLKMWLM-XQQFMLRXSA-N 1 0 360.487 2.293 50 0 FEAARO O=C1[C@@H]2CCCCN2C(=O)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000000641757 527109994 /nfs/dbraw/zinc/10/99/94/527109994.db2.gz NWIZLXLNFVCYGO-SFHVURJKSA-N 1 0 374.460 2.155 50 0 FEAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 ZINC000091321823 527176538 /nfs/dbraw/zinc/17/65/38/527176538.db2.gz RYPOBIJDUVNPAP-INIZCTEOSA-N 1 0 372.387 2.454 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000178520484 527237759 /nfs/dbraw/zinc/23/77/59/527237759.db2.gz NETKBMGQFCFGNW-OAHLLOKOSA-N 1 0 358.463 2.081 50 0 FEAARO OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000089834876 527594992 /nfs/dbraw/zinc/59/49/92/527594992.db2.gz JERDWRKMGALIND-VQTJNVASSA-N 1 0 368.477 2.430 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000095355704 535935867 /nfs/dbraw/zinc/93/58/67/535935867.db2.gz AYZUDRAJVIDKTI-KRWDZBQOSA-N 1 0 369.517 2.219 50 0 FEAARO CCn1c(CN2CCN(c3ccc(C)cc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000253378490 535982962 /nfs/dbraw/zinc/98/29/62/535982962.db2.gz GKTQKSNZRDADHJ-CALCHBBNSA-N 1 0 354.502 2.133 50 0 FEAARO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000177847428 546695794 /nfs/dbraw/zinc/69/57/94/546695794.db2.gz WTOCPGLUGAOFLU-GOSISDBHSA-N 1 0 355.486 2.398 50 0 FEAARO O=C(NCCSc1ccccc1)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000215234214 548669373 /nfs/dbraw/zinc/66/93/73/548669373.db2.gz GDCFGDWWIPXKST-HNNXBMFYSA-N 1 0 359.499 2.332 50 0 FEAARO C[N@H+](CC(=O)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCCC1 ZINC000220464016 548700894 /nfs/dbraw/zinc/70/08/94/548700894.db2.gz FOOMRYZXCPMZPP-QYGXFBIXSA-N 1 0 358.482 2.424 50 0 FEAARO C[C@@H]1CN(C[C@H]2CCCN2CC(=O)N2CCc3ccccc32)C[C@@H](C)O1 ZINC000229655742 548756924 /nfs/dbraw/zinc/75/69/24/548756924.db2.gz WPSZGXOYTDIZCI-ZHALLVOQSA-N 1 0 357.498 2.149 50 0 FEAARO CC1(C)C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc2O1 ZINC000236691077 548773054 /nfs/dbraw/zinc/77/30/54/548773054.db2.gz MXNSNJVJYZSGSL-HNNXBMFYSA-N 1 0 355.442 2.235 50 0 FEAARO CCCCO[C@@H]1C[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1(C)C ZINC000236854671 548784460 /nfs/dbraw/zinc/78/44/60/548784460.db2.gz ZAJMHJHOIQWXSP-JKSUJKDBSA-N 1 0 363.506 2.225 50 0 FEAARO COCc1nc(NCCN2CCc3ccccc32)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000240517105 548884742 /nfs/dbraw/zinc/88/47/42/548884742.db2.gz NVCLSYMRQWTSLT-WKILWMFISA-N 1 0 353.470 2.302 50 0 FEAARO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000242048137 548885445 /nfs/dbraw/zinc/88/54/45/548885445.db2.gz VTDIWKBODCSWPB-VDGAXYAQSA-N 1 0 374.529 2.445 50 0 FEAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000244626726 548891237 /nfs/dbraw/zinc/89/12/37/548891237.db2.gz FRLDDXQHTKICSL-GFCCVEGCSA-N 1 0 355.467 2.486 50 0 FEAARO COCc1nc(NCc2nc(C)c3c(n2)CCCC3)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244872992 548897029 /nfs/dbraw/zinc/89/70/29/548897029.db2.gz WIBLJFGTVJVJEM-OKILXGFUSA-N 1 0 368.485 2.417 50 0 FEAARO OCCOCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000247745105 549376789 /nfs/dbraw/zinc/37/67/89/549376789.db2.gz QMPHFGHYPOFTEH-UHFFFAOYSA-N 1 0 370.428 2.231 50 0 FEAARO COC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000251843258 549654070 /nfs/dbraw/zinc/65/40/70/549654070.db2.gz MWWOZLHDVUSVIU-ISARSNTHSA-N 1 0 361.486 2.095 50 0 FEAARO COCCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000252482597 549667571 /nfs/dbraw/zinc/66/75/71/549667571.db2.gz DJYIWXVESJRUBS-QGZVFWFLSA-N 1 0 373.476 2.329 50 0 FEAARO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+](C)CC1(N3CCOCC3)CCCCC1)O2 ZINC000252508551 549670544 /nfs/dbraw/zinc/67/05/44/549670544.db2.gz XOWXSUBFRNGXFM-GOSISDBHSA-N 1 0 374.529 2.364 50 0 FEAARO CCn1c(CN(C)Cc2ccc(-n3cccn3)cc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252518154 549673224 /nfs/dbraw/zinc/67/32/24/549673224.db2.gz AEHNVUJTCKGXMJ-QAQDUYKDSA-N 1 0 365.485 2.320 50 0 FEAARO Cc1cc(=O)n(CC[NH+]2CCC(c3nc4ccccc4o3)CC2)c(=O)[nH]1 ZINC000253536106 549691309 /nfs/dbraw/zinc/69/13/09/549691309.db2.gz ACMYDFMMGHJKPI-UHFFFAOYSA-N 1 0 354.410 2.278 50 0 FEAARO CC(C)[N@@H+]1CC[C@H](c2nnc3n2CCN(C(=O)c2ccccc2)CC3)C1 ZINC000257190591 549714513 /nfs/dbraw/zinc/71/45/13/549714513.db2.gz OWAXYGFNIILQSE-KRWDZBQOSA-N 1 0 353.470 2.174 50 0 FEAARO Cc1ncccc1C(=O)N1CC[C@@H]2COCCN(Cc3ccncc3)[C@@H]2C1 ZINC000257194050 549715723 /nfs/dbraw/zinc/71/57/23/549715723.db2.gz SKWZTQMZESAKEX-UYAOXDASSA-N 1 0 366.465 2.148 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000269232723 550170278 /nfs/dbraw/zinc/17/02/78/550170278.db2.gz DYVOQFUIRPLUNB-AVGNSLFASA-N 1 0 360.376 2.031 50 0 FEAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000269253108 550172777 /nfs/dbraw/zinc/17/27/77/550172777.db2.gz ULXSJASGPKGRNO-WBIUFABUSA-N 1 0 359.253 2.086 50 0 FEAARO Cc1ccn2ncc(C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000295730667 553051270 /nfs/dbraw/zinc/05/12/70/553051270.db2.gz VYFQTHUMOWLOGH-GOSISDBHSA-N 1 0 364.449 2.139 50 0 FEAARO O=C(CCN1CCOCC1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299759919 553611006 /nfs/dbraw/zinc/61/10/06/553611006.db2.gz PCFAODBCIWJOKS-GOSISDBHSA-N 1 0 365.905 2.315 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3nc(C)cc(C)n3)c2)C1 ZINC000299765329 553611933 /nfs/dbraw/zinc/61/19/33/553611933.db2.gz FOBCFXGIFJYRGS-KRWDZBQOSA-N 1 0 368.481 2.459 50 0 FEAARO CN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000375029418 557966954 /nfs/dbraw/zinc/96/69/54/557966954.db2.gz DAJOPCBQDQLGDD-VQTJNVASSA-N 1 0 367.497 2.084 50 0 FEAARO O=C1CCCN1c1ccc(C[N@H+]2CCC[C@@H](c3ccn(CCO)n3)C2)cc1 ZINC000426504468 559736013 /nfs/dbraw/zinc/73/60/13/559736013.db2.gz KEZJERDTZKBTCT-GOSISDBHSA-N 1 0 368.481 2.382 50 0 FEAARO COc1c(F)ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCCO)C[C@H]23)c1F ZINC000426537740 559737320 /nfs/dbraw/zinc/73/73/20/559737320.db2.gz TVKJEAZMTZFDKP-URLQWDBASA-N 1 0 371.424 2.494 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)nn2)CC1 ZINC000426545045 559737501 /nfs/dbraw/zinc/73/75/01/559737501.db2.gz KXXXTPIUFRJGDP-HLLBOEOZSA-N 1 0 355.442 2.014 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cnc(NCc4ccccc4)nc3)[C@H]1C[C@H](O)CC2 ZINC000426589033 559738405 /nfs/dbraw/zinc/73/84/05/559738405.db2.gz MCIOWKBIOFDGDR-SVFBPWRDSA-N 1 0 368.481 2.593 50 0 FEAARO O=C(Cn1ccccc1=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000426642840 559739379 /nfs/dbraw/zinc/73/93/79/559739379.db2.gz AYVBYYHBSLISFQ-QGZVFWFLSA-N 1 0 359.857 2.455 50 0 FEAARO Cc1cccc(CN2CCC[C@]3(CC[N@H+](CC(=O)NC4CC4)C3)C2=O)c1 ZINC000426662363 559739761 /nfs/dbraw/zinc/73/97/61/559739761.db2.gz VGZKTRYDTZEBPJ-OAQYLSRUSA-N 1 0 355.482 2.088 50 0 FEAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000426684599 559740342 /nfs/dbraw/zinc/74/03/42/559740342.db2.gz ZQRUJXNPJYLBQU-HZPDHXFCSA-N 1 0 350.340 2.435 50 0 FEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1 ZINC000534642360 562538952 /nfs/dbraw/zinc/53/89/52/562538952.db2.gz KDENOHSEVZBNDL-KRWDZBQOSA-N 1 0 360.502 2.329 50 0 FEAARO COc1ccc(CN(C)C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)cc1OC ZINC000584901388 570510258 /nfs/dbraw/zinc/51/02/58/570510258.db2.gz XLILZGUVMZZQAE-MRXNPFEDSA-N 1 0 363.502 2.078 50 0 FEAARO CCC(=O)NCc1cc2n(n1)CCN([C@@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426477571 570607164 /nfs/dbraw/zinc/60/71/64/570607164.db2.gz NMFSACDQCYLZIF-GOSISDBHSA-N 1 0 371.460 2.143 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCCN2CCOCC2)c(F)c1 ZINC000015075717 571065796 /nfs/dbraw/zinc/06/57/96/571065796.db2.gz LSNJVJWQLMZDFR-UHFFFAOYSA-N 1 0 362.449 2.379 50 0 FEAARO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccon1 ZINC000685940016 571099437 /nfs/dbraw/zinc/09/94/37/571099437.db2.gz LURDMOJJLANYAV-KANYHAFZSA-N 1 0 350.369 2.459 50 0 FEAARO C[NH+]1CCC(CNc2cc([C@H]3CCOC3)ncn2)(c2ccccc2)CC1 ZINC000426396002 571129073 /nfs/dbraw/zinc/12/90/73/571129073.db2.gz SHWISBICVLIYAR-KRWDZBQOSA-N 1 0 352.482 3.056 50 0 FEAARO O=C(NCc1nc(C2CCOCC2)no1)c1ccc(Cn2ccnc2)cc1 ZINC000575615810 571169232 /nfs/dbraw/zinc/16/92/32/571169232.db2.gz GIGJPTCBFAXANN-UHFFFAOYSA-N 1 0 367.409 2.138 50 0 FEAARO Cc1nccn1CCNC(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426380750 571217248 /nfs/dbraw/zinc/21/72/48/571217248.db2.gz VQSUYYWKKOSVJC-FQEVSTJZSA-N 1 0 367.497 2.076 50 0 FEAARO Cc1nc(CCNC(=O)c2cc(F)ccc2OCCC[NH3+])nc2c1CCC2 ZINC000426421734 571223149 /nfs/dbraw/zinc/22/31/49/571223149.db2.gz FMUIXECMFAKRNT-UHFFFAOYSA-N 1 0 372.444 2.113 50 0 FEAARO [NH3+]CCOc1ccc(CC(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000426440297 571225294 /nfs/dbraw/zinc/22/52/94/571225294.db2.gz PGDVCXAETHZQGL-UHFFFAOYSA-N 1 0 354.450 2.077 50 0 FEAARO [NH3+]CCOc1cccc(CC(=O)N[C@H](c2cccnc2)C(F)(F)F)c1 ZINC000426471368 571227021 /nfs/dbraw/zinc/22/70/21/571227021.db2.gz MIFXUJIXKCNKCY-MRXNPFEDSA-N 1 0 353.344 2.381 50 0 FEAARO Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(CN4CCC(O)CC4)n3C)C2)o1 ZINC000426473510 571227231 /nfs/dbraw/zinc/22/72/31/571227231.db2.gz JPYUWVBXQGRVTO-INIZCTEOSA-N 1 0 373.501 2.053 50 0 FEAARO Cc1nc(-c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c2)c(C)[nH]1 ZINC000584894276 571315111 /nfs/dbraw/zinc/31/51/11/571315111.db2.gz HWMZLZOOJQSUIR-OALUTQOASA-N 1 0 368.481 2.365 50 0 FEAARO O=C(c1ccccc1)N1CCC(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000585091200 571320274 /nfs/dbraw/zinc/32/02/74/571320274.db2.gz FKCUQBKONJZYQQ-OAQYLSRUSA-N 1 0 371.525 2.382 50 0 FEAARO Cc1cccc(Cl)c1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000670435034 571346684 /nfs/dbraw/zinc/34/66/84/571346684.db2.gz PBYPDJRVQVXSGB-AWEZNQCLSA-N 1 0 360.907 2.164 50 0 FEAARO CCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(OC)c(C)cc2OC)C1 ZINC000670445129 571350465 /nfs/dbraw/zinc/35/04/65/571350465.db2.gz OFLYCUWUGSIYRG-CQSZACIVSA-N 1 0 356.488 2.165 50 0 FEAARO O=C1C[C@@H](C[NH+]2CCC(O)(c3ccccn3)CC2)CN1c1ccccc1 ZINC000670469976 571360199 /nfs/dbraw/zinc/36/01/99/571360199.db2.gz GNDSNJHDYYEJEN-KRWDZBQOSA-N 1 0 351.450 2.418 50 0 FEAARO O=C(CC[C@@H]1CCC[N@@H+](C2CSCCSC2)C1)N1CCOCC1 ZINC000012314280 670001620 /nfs/dbraw/zinc/00/16/20/670001620.db2.gz TUYWATLQCJBZJP-HNNXBMFYSA-N 1 0 358.573 2.186 50 0 FEAARO COc1ccc(F)cc1[C@@H](C(=O)[O-])[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000095388564 670759608 /nfs/dbraw/zinc/75/96/08/670759608.db2.gz XIGFTJMOFLSLJW-KRWDZBQOSA-N 1 0 354.422 2.003 50 0 FEAARO Cc1c(C(=O)NCc2nc3ccccc3s2)nnn1C1CC[NH2+]CC1 ZINC000150722845 672151860 /nfs/dbraw/zinc/15/18/60/672151860.db2.gz GRWBARKRUCXNGV-UHFFFAOYSA-N 1 0 356.455 2.051 50 0 FEAARO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000169751613 672321603 /nfs/dbraw/zinc/32/16/03/672321603.db2.gz GHGBTGJOHNYKLJ-UHFFFAOYSA-N 1 0 350.825 2.229 50 0 FEAARO COCC[N@@H+]1C[C@H](CO)C2(C1)CCN(Cc1cc(F)ccc1F)CC2 ZINC000169789540 672322690 /nfs/dbraw/zinc/32/26/90/672322690.db2.gz UBTFXEHOEKMLHP-MRXNPFEDSA-N 1 0 354.441 2.118 50 0 FEAARO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)C[C@H]1CCCO1 ZINC000172106038 672339419 /nfs/dbraw/zinc/33/94/19/672339419.db2.gz CBZMIDDBSOHZNU-GOSISDBHSA-N 1 0 352.500 2.092 50 0 FEAARO C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 ZINC000176929877 672378124 /nfs/dbraw/zinc/37/81/24/672378124.db2.gz YTWGSXHINAGWFQ-AWEZNQCLSA-N 1 0 358.467 2.448 50 0 FEAARO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178948693 672397514 /nfs/dbraw/zinc/39/75/14/672397514.db2.gz KUGBBALOOHHGGM-CQSZACIVSA-N 1 0 350.484 2.132 50 0 FEAARO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000189304108 672612936 /nfs/dbraw/zinc/61/29/36/672612936.db2.gz BVBZZJZJBXWFDX-ZDUSSCGKSA-N 1 0 362.499 2.201 50 0 FEAARO COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3CCC[NH+](C)C)C2)c1 ZINC000011963491 539539553 /nfs/dbraw/zinc/53/95/53/539539553.db2.gz XYOKRJILUGRATQ-MJGOQNOKSA-N 1 0 373.497 2.100 50 0 FEAARO CS(=O)(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000012072838 539542005 /nfs/dbraw/zinc/54/20/05/539542005.db2.gz XNQZGBDGCCZECQ-CQSZACIVSA-N 1 0 358.454 2.458 50 0 FEAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000012307762 539554198 /nfs/dbraw/zinc/55/41/98/539554198.db2.gz UANGYNOAUUDFFL-GOSISDBHSA-N 1 0 359.495 2.409 50 0 FEAARO O=C(CCn1cncn1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012458268 539561098 /nfs/dbraw/zinc/56/10/98/539561098.db2.gz LASMPYFDCZCZCU-NRFANRHFSA-N 1 0 367.497 2.225 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cn2)CC1 ZINC000012613391 539567950 /nfs/dbraw/zinc/56/79/50/539567950.db2.gz PDZKPJSEESNVFM-UHFFFAOYSA-N 1 0 364.405 2.192 50 0 FEAARO Cn1cnnc1SCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000015074585 539611780 /nfs/dbraw/zinc/61/17/80/539611780.db2.gz UTZBQWQENPJCFG-CQSZACIVSA-N 1 0 351.520 2.211 50 0 FEAARO Cn1c2cn(CCC[NH+](C)C)c(-c3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000015083277 539612156 /nfs/dbraw/zinc/61/21/56/539612156.db2.gz NORQBSIYIIEAEW-UHFFFAOYSA-N 1 0 374.872 2.311 50 0 FEAARO COC(=O)c1cccc(-n2nnnc2C2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000015414433 539617761 /nfs/dbraw/zinc/61/77/61/539617761.db2.gz PLWVGRSBSSQAKX-UHFFFAOYSA-N 1 0 353.426 2.059 50 0 FEAARO Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000017317412 539641349 /nfs/dbraw/zinc/64/13/49/539641349.db2.gz MQNNBGHGBSZLFZ-UHFFFAOYSA-N 1 0 360.479 2.306 50 0 FEAARO Cc1ncc2c(c1-c1noc(Cc3cn4ccsc4n3)n1)CC[NH2+]C2 ZINC000019227900 539653468 /nfs/dbraw/zinc/65/34/68/539653468.db2.gz ACJPAZYZNZVMQP-UHFFFAOYSA-N 1 0 352.423 2.386 50 0 FEAARO COc1ccccc1NC1=[NH+][C@H](c2coc3ccccc3c2=O)NC(=N)N1 ZINC000019329978 539654507 /nfs/dbraw/zinc/65/45/07/539654507.db2.gz QGGRAEYMZKOOQG-QGZVFWFLSA-N 1 0 363.377 2.396 50 0 FEAARO CCOC(=O)c1noc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000021538944 539684082 /nfs/dbraw/zinc/68/40/82/539684082.db2.gz AHXNHQIRVMHAQY-UHFFFAOYSA-N 1 0 367.409 2.117 50 0 FEAARO CN1c2cc(C(=O)NCCC[NH+]3CCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021938607 539689995 /nfs/dbraw/zinc/68/99/95/539689995.db2.gz WPRZUSKXOOSFTN-GOSISDBHSA-N 1 0 370.497 2.238 50 0 FEAARO CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000023106679 539705795 /nfs/dbraw/zinc/70/57/95/539705795.db2.gz XIWKJYMFUVPXKL-HNNXBMFYSA-N 1 0 360.483 2.172 50 0 FEAARO COc1ccc(CC[NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 ZINC000023731287 539719397 /nfs/dbraw/zinc/71/93/97/539719397.db2.gz QERAFYWXHPMINA-UHFFFAOYSA-N 1 0 369.421 2.281 50 0 FEAARO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507714 539761212 /nfs/dbraw/zinc/76/12/12/539761212.db2.gz LROMKYRGDOXLAU-INIZCTEOSA-N 1 0 357.498 2.054 50 0 FEAARO COc1ccc([C@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)c(OC)c1 ZINC000026908173 539796513 /nfs/dbraw/zinc/79/65/13/539796513.db2.gz YWIVKMNNTUMTSJ-OAHLLOKOSA-N 1 0 361.442 2.171 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000040120594 540007108 /nfs/dbraw/zinc/00/71/08/540007108.db2.gz QDBCSVHQDFLMTQ-DZGCQCFKSA-N 1 0 357.462 2.213 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 ZINC000045496038 540215818 /nfs/dbraw/zinc/21/58/18/540215818.db2.gz JDYBXYFHBPFJNH-HOCLYGCPSA-N 1 0 361.467 2.109 50 0 FEAARO CC(C)(C[N@@H+]1CCC[C@H]1c1nc(-c2ccncc2)no1)N1CCOCC1 ZINC000067880970 541524926 /nfs/dbraw/zinc/52/49/26/541524926.db2.gz VKQHILIUOHAWRD-INIZCTEOSA-N 1 0 357.458 2.379 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000067894407 541526482 /nfs/dbraw/zinc/52/64/82/541526482.db2.gz MOSWQKSDIKWMGC-UHFFFAOYSA-N 1 0 352.442 2.361 50 0 FEAARO CCC1([NH2+]C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000067974432 541534550 /nfs/dbraw/zinc/53/45/50/541534550.db2.gz PLYRUHLJWUFRTR-IBGZPJMESA-N 1 0 350.434 2.220 50 0 FEAARO Cc1oc(-c2ccccc2C)nc1CN1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000067973601 541534616 /nfs/dbraw/zinc/53/46/16/541534616.db2.gz FEGHDYGWYWNRSS-HXUWFJFHSA-N 1 0 357.454 2.149 50 0 FEAARO CN(Cc1ccoc1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071385522 541766930 /nfs/dbraw/zinc/76/69/30/541766930.db2.gz BCTFVJIXMJVITE-GOSISDBHSA-N 1 0 373.497 2.351 50 0 FEAARO Cc1cccnc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071523784 541767848 /nfs/dbraw/zinc/76/78/48/541767848.db2.gz FBUSKNPXXAPNLJ-QGZVFWFLSA-N 1 0 356.514 2.345 50 0 FEAARO CC(C)[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)CCC[N@@H+]1CC1CC1 ZINC000071707936 541768687 /nfs/dbraw/zinc/76/86/87/541768687.db2.gz IQVKYGOEMHSWCP-FQEVSTJZSA-N 1 0 359.514 2.493 50 0 FEAARO O=C(c1ccoc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071750797 541770119 /nfs/dbraw/zinc/77/01/19/541770119.db2.gz VTVWZAVDCKVMFQ-MRXNPFEDSA-N 1 0 359.470 2.219 50 0 FEAARO C[C@H](C1CCN(C(=O)c2nn(C)c3ccccc32)CC1)[NH+]1CCOCC1 ZINC000071750759 541770466 /nfs/dbraw/zinc/77/04/66/541770466.db2.gz YWPCOBXQLFLFQQ-OAHLLOKOSA-N 1 0 356.470 2.146 50 0 FEAARO O=C(c1ccoc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071750796 541770661 /nfs/dbraw/zinc/77/06/61/541770661.db2.gz VTVWZAVDCKVMFQ-INIZCTEOSA-N 1 0 359.470 2.219 50 0 FEAARO COC(=O)C1(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCCCC1 ZINC000071850275 541774055 /nfs/dbraw/zinc/77/40/55/541774055.db2.gz UWCULXHHRVTHQN-KRWDZBQOSA-N 1 0 359.470 2.286 50 0 FEAARO Cn1ncc2c1nc(C(C)(C)C)nc2NC[C@H](O)C[NH+]1CCCCCC1 ZINC000072120787 541784059 /nfs/dbraw/zinc/78/40/59/541784059.db2.gz ICJBDJLUNHKWEZ-AWEZNQCLSA-N 1 0 360.506 2.310 50 0 FEAARO COCCCN(C(=O)c1ccc2sc(N)nc2c1)C1CC[NH+](C)CC1 ZINC000072162272 541792088 /nfs/dbraw/zinc/79/20/88/541792088.db2.gz OBFFIEBDILELGB-UHFFFAOYSA-N 1 0 362.499 2.451 50 0 FEAARO O=C(CCCOCc1ccccc1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072164024 541793339 /nfs/dbraw/zinc/79/33/39/541793339.db2.gz DLSVAAHHVOEARU-HXUWFJFHSA-N 1 0 360.498 2.431 50 0 FEAARO c1c(CN2CCN(c3nsc4ccccc43)CC2)nn2c1C[NH2+]CCC2 ZINC000072165339 541794368 /nfs/dbraw/zinc/79/43/68/541794368.db2.gz DPQCSHBWLVWIRK-UHFFFAOYSA-N 1 0 368.510 2.308 50 0 FEAARO Cc1ncc(C(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000072164935 541794210 /nfs/dbraw/zinc/79/42/10/541794210.db2.gz KQFCRTQXVMHVPW-GOSISDBHSA-N 1 0 368.481 2.248 50 0 FEAARO c1cn(CCc2ccc3c(c2)OCO3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072408343 541806438 /nfs/dbraw/zinc/80/64/38/541806438.db2.gz TYKFWRMUOULPLQ-UHFFFAOYSA-N 1 0 351.410 2.211 50 0 FEAARO C[C@H](C1CCN(C(=O)COc2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000072409046 541806632 /nfs/dbraw/zinc/80/66/32/541806632.db2.gz XCCBJVQCKXALBZ-OAHLLOKOSA-N 1 0 350.434 2.164 50 0 FEAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(Cc3ncc[nH]3)CC2)OC1=O ZINC000072411642 541807637 /nfs/dbraw/zinc/80/76/37/541807637.db2.gz BICGLDBMENWJMH-UHFFFAOYSA-N 1 0 363.506 2.174 50 0 FEAARO Cc1ccsc1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072462560 541816949 /nfs/dbraw/zinc/81/69/49/541816949.db2.gz CKRRWHBCLUHLNM-IBGZPJMESA-N 1 0 355.463 2.032 50 0 FEAARO CCOC(=O)Nc1ccc(NC(=O)CCc2cc3n(n2)CC[NH2+]C3)cc1 ZINC000072469190 541817835 /nfs/dbraw/zinc/81/78/35/541817835.db2.gz CYAYCRLHCVWTAD-UHFFFAOYSA-N 1 0 357.414 2.126 50 0 FEAARO Cc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000072473464 541818390 /nfs/dbraw/zinc/81/83/90/541818390.db2.gz NORLGUPWIWYOGF-LJQANCHMSA-N 1 0 369.513 2.335 50 0 FEAARO COC(=O)c1ccc(OC)c(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072473698 541819003 /nfs/dbraw/zinc/81/90/03/541819003.db2.gz ZZZIIQWODRKQJP-UHFFFAOYSA-N 1 0 367.409 2.024 50 0 FEAARO CC[N@@H+]1CCc2nc(-c3ccccc3)nc(N3CC[C@H](CO)C3)c2CC1 ZINC000072475887 541819235 /nfs/dbraw/zinc/81/92/35/541819235.db2.gz SEUTVDYXWGZSNP-INIZCTEOSA-N 1 0 352.482 2.383 50 0 FEAARO C[NH2+][C@@H]1CCCN(C(=O)c2sc3ccccc3c2CS(C)(=O)=O)C1 ZINC000132933506 203802929 /nfs/dbraw/zinc/80/29/29/203802929.db2.gz SJVGZFMHNDFFES-GFCCVEGCSA-N 1 0 366.508 2.270 50 0 FEAARO O=C(CNC(=O)c1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003415231 204099093 /nfs/dbraw/zinc/09/90/93/204099093.db2.gz AJEULKUYXOLHDN-UHFFFAOYSA-N 1 0 369.440 2.336 50 0 FEAARO COc1ccc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1OC ZINC000004603450 204150389 /nfs/dbraw/zinc/15/03/89/204150389.db2.gz IAHJCSBQILRONF-QGZVFWFLSA-N 1 0 362.470 2.211 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cc(OC)c(OC)c2OC)[nH]1 ZINC000005352826 204204976 /nfs/dbraw/zinc/20/49/76/204204976.db2.gz KHIPZNAGQZSOMP-LBPRGKRZSA-N 1 0 361.442 2.408 50 0 FEAARO C[NH+](C)CCCNC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304285 204202185 /nfs/dbraw/zinc/20/21/85/204202185.db2.gz TWSGFMVQPWFXBM-UHFFFAOYSA-N 1 0 364.449 2.126 50 0 FEAARO COc1ccc(Cn2c(=O)c3ccccc3n(CCC[NH+](C)C)c2=O)cc1 ZINC000006226428 204242594 /nfs/dbraw/zinc/24/25/94/204242594.db2.gz GJJKABMYUKCMBX-UHFFFAOYSA-N 1 0 367.449 2.172 50 0 FEAARO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000006543722 204252499 /nfs/dbraw/zinc/25/24/99/204252499.db2.gz JLPBOZPGSAEWNL-AZUAARDMSA-N 1 0 355.434 2.426 50 0 FEAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006650073 204258648 /nfs/dbraw/zinc/25/86/48/204258648.db2.gz VPKGTSSESUWVPB-LBPRGKRZSA-N 1 0 356.378 2.303 50 0 FEAARO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2C)ccc1OC ZINC000007059027 204288498 /nfs/dbraw/zinc/28/84/98/204288498.db2.gz FOZYIUKTNZMRLV-INIZCTEOSA-N 1 0 359.422 2.320 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000007728744 204304304 /nfs/dbraw/zinc/30/43/04/204304304.db2.gz SVGNNXDSWULXFO-UHFFFAOYSA-N 1 0 353.488 2.045 50 0 FEAARO NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000008193076 204322292 /nfs/dbraw/zinc/32/22/92/204322292.db2.gz LJUHSGJLJOCQEJ-INIZCTEOSA-N 1 0 358.486 2.203 50 0 FEAARO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(OC)c1OC ZINC000009012937 204351287 /nfs/dbraw/zinc/35/12/87/204351287.db2.gz OTHLDBRZPXOSIW-INIZCTEOSA-N 1 0 353.382 2.158 50 0 FEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cncn2)cc1 ZINC000009377297 204366255 /nfs/dbraw/zinc/36/62/55/204366255.db2.gz WQNNASVADLPEDM-KRWDZBQOSA-N 1 0 351.410 2.427 50 0 FEAARO C[NH+](C)CCNC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O ZINC000009576163 204374517 /nfs/dbraw/zinc/37/45/17/204374517.db2.gz BBVGSZXAKXDHQG-UKTHLTGXSA-N 1 0 367.858 2.054 50 0 FEAARO CC(C)[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000010436305 204395624 /nfs/dbraw/zinc/39/56/24/204395624.db2.gz OOJOSZMJXQYTRX-FQEVSTJZSA-N 1 0 369.465 2.487 50 0 FEAARO COc1cc(C[NH2+]CCOCCO)ccc1OCc1ccc(Cl)nc1 ZINC000010436181 204395755 /nfs/dbraw/zinc/39/57/55/204395755.db2.gz FJEDYTLVKDMKAT-UHFFFAOYSA-N 1 0 366.845 2.421 50 0 FEAARO CC(C)[C@H](Oc1ccccc1)C(=O)N1CCC(n2cc(C[NH3+])nn2)CC1 ZINC000023368995 204803223 /nfs/dbraw/zinc/80/32/23/204803223.db2.gz DYDYHIDCYCKLMC-SFHVURJKSA-N 1 0 357.458 2.004 50 0 FEAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000036357251 205011876 /nfs/dbraw/zinc/01/18/76/205011876.db2.gz WNEPIFQKZDQBFQ-UHFFFAOYSA-N 1 0 371.528 2.131 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCNC(=O)c2cccs2)C1 ZINC000036395834 205014763 /nfs/dbraw/zinc/01/47/63/205014763.db2.gz PJXBWUPEISBVHT-HUUCEWRRSA-N 1 0 351.516 2.352 50 0 FEAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@H](C(C)C)[NH+](C)C ZINC000040047513 205051862 /nfs/dbraw/zinc/05/18/62/205051862.db2.gz GUSYQCLTSIUOKP-QGZVFWFLSA-N 1 0 356.470 2.374 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040073577 205052201 /nfs/dbraw/zinc/05/22/01/205052201.db2.gz LPYOSABQADEEAL-RTBURBONSA-N 1 0 357.498 2.068 50 0 FEAARO C[C@@H](NC(=O)c1ccco1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040160875 205061239 /nfs/dbraw/zinc/06/12/39/205061239.db2.gz YDYNYGUNBRUSAF-OAHLLOKOSA-N 1 0 355.438 2.179 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000299739251 205116838 /nfs/dbraw/zinc/11/68/38/205116838.db2.gz MIWVWKJPCNJDKB-CYBMUJFWSA-N 1 0 367.287 2.305 50 0 FEAARO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)cc1OC ZINC000056181965 205228183 /nfs/dbraw/zinc/22/81/83/205228183.db2.gz DGSQEVWAADAFCI-CHWSQXEVSA-N 1 0 351.447 2.225 50 0 FEAARO CCNC(=O)NC(=O)CN1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058108428 205248828 /nfs/dbraw/zinc/24/88/28/205248828.db2.gz JTQHDTLCGPXOBN-RTBURBONSA-N 1 0 372.513 2.209 50 0 FEAARO COC(=O)CC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)CC(C)C ZINC000058194789 205258754 /nfs/dbraw/zinc/25/87/54/205258754.db2.gz PBNKLJPFUXAKCR-UHFFFAOYSA-N 1 0 352.431 2.163 50 0 FEAARO CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000058341785 205272131 /nfs/dbraw/zinc/27/21/31/205272131.db2.gz INKCZCSAUHHXTF-QGZVFWFLSA-N 1 0 373.419 2.466 50 0 FEAARO Cc1ccc(S(=O)(=O)CCNc2cc(C3CC[NH+](C)CC3)ncn2)cc1 ZINC000063885025 205295080 /nfs/dbraw/zinc/29/50/80/205295080.db2.gz DMUZTHKSHVWEFH-UHFFFAOYSA-N 1 0 374.510 2.480 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)C2CC2)CC1 ZINC000065230942 205326984 /nfs/dbraw/zinc/32/69/84/205326984.db2.gz NAGMGJYSWXPDGF-FQEVSTJZSA-N 1 0 369.509 2.467 50 0 FEAARO CC(C)(C)C(=O)CNC(=O)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065425210 205350037 /nfs/dbraw/zinc/35/00/37/205350037.db2.gz YNQPFPQVHWZERM-UHFFFAOYSA-N 1 0 369.465 2.467 50 0 FEAARO CCn1c(CC2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)nn(C)c1=O ZINC000065460610 205351316 /nfs/dbraw/zinc/35/13/16/205351316.db2.gz APKNLWHMORYLJL-MRXNPFEDSA-N 1 0 350.507 2.061 50 0 FEAARO Cc1ccnc(-n2cccc2C[N@@H+]2CCc3nc(C)n(C)c(=O)c3CC2)c1 ZINC000065453359 205352861 /nfs/dbraw/zinc/35/28/61/205352861.db2.gz AUCZZNLSDJPMHF-UHFFFAOYSA-N 1 0 363.465 2.184 50 0 FEAARO O=C1C[C@H](c2cccc(OCCCC[NH+]3CCOCC3)c2)c2c[nH]nc2N1 ZINC000065372131 205341224 /nfs/dbraw/zinc/34/12/24/205341224.db2.gz MAJYSBGVKYSJID-QGZVFWFLSA-N 1 0 370.453 2.375 50 0 FEAARO CNC(=O)c1ccc(CNc2nc(CC[NH3+])nc3sc(C)c(C)c32)o1 ZINC000065383571 205342515 /nfs/dbraw/zinc/34/25/15/205342515.db2.gz QTYQFAMUNNRKII-UHFFFAOYSA-N 1 0 359.455 2.374 50 0 FEAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3nnc(C)s3)cc2)C1 ZINC000065397573 205346190 /nfs/dbraw/zinc/34/61/90/205346190.db2.gz YUVRSTZXQBPXRM-OAHLLOKOSA-N 1 0 373.482 2.057 50 0 FEAARO COc1ccc(CN(C)C(=O)c2cc3n(n2)CCC[NH2+]C3)c2cccnc12 ZINC000065422003 205348126 /nfs/dbraw/zinc/34/81/26/205348126.db2.gz DGOPYTSCFLSQBE-UHFFFAOYSA-N 1 0 365.437 2.205 50 0 FEAARO O=C(NCCc1csc2c1CCCC2)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067741463 205386951 /nfs/dbraw/zinc/38/69/51/205386951.db2.gz HCJSKMWYFOGSDA-AWEZNQCLSA-N 1 0 373.526 2.191 50 0 FEAARO CC(C)[C@@H]([NH3+])C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000067785022 205390162 /nfs/dbraw/zinc/39/01/62/205390162.db2.gz FXJLWWLOTAYKHO-GOSISDBHSA-N 1 0 369.469 2.282 50 0 FEAARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000067788089 205391423 /nfs/dbraw/zinc/39/14/23/205391423.db2.gz XQCISONSWZLIAB-CYBMUJFWSA-N 1 0 373.409 2.006 50 0 FEAARO CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1cc2n(n1)CCC[NH2+]C2 ZINC000067818973 205394625 /nfs/dbraw/zinc/39/46/25/205394625.db2.gz MGLXGYNLXCSDOR-UHFFFAOYSA-N 1 0 356.455 2.100 50 0 FEAARO c1cncc(NCCCNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)c1 ZINC000067843059 205396658 /nfs/dbraw/zinc/39/66/58/205396658.db2.gz COGBIASUSAVVSJ-UHFFFAOYSA-N 1 0 361.453 2.493 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1oc2cc(OC)ccc2c1C ZINC000067856275 205398091 /nfs/dbraw/zinc/39/80/91/205398091.db2.gz MVCUCOQHEWQHRE-BBRMVZONSA-N 1 0 373.453 2.160 50 0 FEAARO Cc1cnccc1CN(C)Cc1cc2n(n1)CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000072144446 205481288 /nfs/dbraw/zinc/48/12/88/205481288.db2.gz QOPSNNAQAWXYCK-GOSISDBHSA-N 1 0 368.529 2.034 50 0 FEAARO CNC(=O)CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091585676 205680645 /nfs/dbraw/zinc/68/06/45/205680645.db2.gz YJKYHSRRVCXGHF-LJQANCHMSA-N 1 0 369.509 2.383 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccn2C)C[N@@H+]1C1CCCCC1 ZINC000096149451 205835181 /nfs/dbraw/zinc/83/51/81/205835181.db2.gz IUCNOAYCDVAYMQ-LPHOPBHVSA-N 1 0 374.529 2.399 50 0 FEAARO Cc1ccc(-c2cc(CN3CC[N@@H+](C)[C@@]4(C3)CCNC(=O)CC4)on2)cc1 ZINC000107410013 206019480 /nfs/dbraw/zinc/01/94/80/206019480.db2.gz YJWNFRCUNUXENX-OAQYLSRUSA-N 1 0 368.481 2.436 50 0 FEAARO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000237099182 206087185 /nfs/dbraw/zinc/08/71/85/206087185.db2.gz CBOPSWBPXWGJDM-UHFFFAOYSA-N 1 0 369.231 2.100 50 0 FEAARO Cc1nc2c(s1)[C@H](N(C)C(=O)c1nnn(C3CC[NH2+]CC3)c1C)CCC2 ZINC000237265369 206096957 /nfs/dbraw/zinc/09/69/57/206096957.db2.gz NJEUCNVSYKZIOT-OAHLLOKOSA-N 1 0 374.514 2.426 50 0 FEAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000237415215 206102450 /nfs/dbraw/zinc/10/24/50/206102450.db2.gz JSHOLPYHSWVLQB-XLSPSMHOSA-N 1 0 359.514 2.495 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000237207463 206092622 /nfs/dbraw/zinc/09/26/22/206092622.db2.gz PVRSUMDUYZEYCG-LBPRGKRZSA-N 1 0 361.305 2.378 50 0 FEAARO O=C(NCCCc1nnc2ccccn21)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000128317289 206123919 /nfs/dbraw/zinc/12/39/19/206123919.db2.gz LQUQDAHNEVZKCA-SFHVURJKSA-N 1 0 363.465 2.443 50 0 FEAARO Nc1cc(N)[nH+]c(SCc2cc3c(cc2Br)OCCO3)n1 ZINC000007692727 206244946 /nfs/dbraw/zinc/24/49/46/206244946.db2.gz DVWFPOCZMBHNCG-UHFFFAOYSA-N 1 0 369.244 2.467 50 0 FEAARO CCc1nc(C)sc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCC1 ZINC000216109727 206353827 /nfs/dbraw/zinc/35/38/27/206353827.db2.gz ANMHKQFZILMXOV-UHFFFAOYSA-N 1 0 350.532 2.304 50 0 FEAARO O=C([C@H]1CCCCO1)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000216180853 206355542 /nfs/dbraw/zinc/35/55/42/206355542.db2.gz NPEZOXWBCGKDLE-OAQYLSRUSA-N 1 0 371.525 2.364 50 0 FEAARO CN(CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000218857684 206375717 /nfs/dbraw/zinc/37/57/17/206375717.db2.gz NTNNVJIQBHPWFM-HXUWFJFHSA-N 1 0 359.514 2.222 50 0 FEAARO Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCC[NH+](C)C)c2ccccc2n1 ZINC000219110651 206380268 /nfs/dbraw/zinc/38/02/68/206380268.db2.gz NMJKAYARHMINGV-RTBURBONSA-N 1 0 357.454 2.009 50 0 FEAARO C[C@H](CCC(=O)N1CCC(OCc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000219283562 206381618 /nfs/dbraw/zinc/38/16/18/206381618.db2.gz BIGXSPAFZQBLGL-QGZVFWFLSA-N 1 0 361.486 2.090 50 0 FEAARO c1coc(CN2CCC([NH2+][C@@H]3CCOC[C@H]3Oc3ccccn3)CC2)c1 ZINC000219286631 206381753 /nfs/dbraw/zinc/38/17/53/206381753.db2.gz YUROMZNYWIQOCL-RTBURBONSA-N 1 0 357.454 2.465 50 0 FEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccccc1OC(F)F ZINC000219724689 206390082 /nfs/dbraw/zinc/39/00/82/206390082.db2.gz OCPIJMBKBVVUFV-SLBVQIDZSA-N 1 0 352.381 2.270 50 0 FEAARO CCCN(CC[NH+](C)C)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000058049241 206390579 /nfs/dbraw/zinc/39/05/79/206390579.db2.gz QMXJMYZTZVMHGU-UHFFFAOYSA-N 1 0 357.462 2.481 50 0 FEAARO COc1ccccc1C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022765566 206394568 /nfs/dbraw/zinc/39/45/68/206394568.db2.gz DEMAVGPJNDWOMW-KRWDZBQOSA-N 1 0 359.495 2.475 50 0 FEAARO O=C(Cc1ccc(F)c(F)c1)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000220321678 206399113 /nfs/dbraw/zinc/39/91/13/206399113.db2.gz CGKIWIUVCNIYIH-UHFFFAOYSA-N 1 0 352.425 2.204 50 0 FEAARO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000075106148 542152663 /nfs/dbraw/zinc/15/26/63/542152663.db2.gz OLSVYEFAKPDSGB-HZPDHXFCSA-N 1 0 361.486 2.126 50 0 FEAARO Cc1nsc(N2CCC[N@H+](CCOCCOc3ccccc3)CC2)n1 ZINC000075967548 542220465 /nfs/dbraw/zinc/22/04/65/542220465.db2.gz STRBGSGIVNFOCP-UHFFFAOYSA-N 1 0 362.499 2.454 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cc(-n2cccn2)ccc1Cl ZINC000082120547 542683922 /nfs/dbraw/zinc/68/39/22/542683922.db2.gz OIMYLTLGXCNHAP-UHFFFAOYSA-N 1 0 370.844 2.146 50 0 FEAARO Cn1ncc(N2CCO[C@@H](CCNc3cc[nH+]c4ccccc34)C2)cc1=O ZINC000077421106 132184855 /nfs/dbraw/zinc/18/48/55/132184855.db2.gz OHPSNRXVKOPPSV-INIZCTEOSA-N 1 0 365.437 2.036 50 0 FEAARO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000082087258 132193759 /nfs/dbraw/zinc/19/37/59/132193759.db2.gz KVCIZDBMCAHNJS-IAGOWNOFSA-N 1 0 371.481 2.135 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC000096161840 132221540 /nfs/dbraw/zinc/22/15/40/132221540.db2.gz VNKCZPONWXJIMA-OAHLLOKOSA-N 1 0 361.467 2.285 50 0 FEAARO O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c([O-])c1C[NH+]1CCCC1 ZINC000101411895 132234115 /nfs/dbraw/zinc/23/41/15/132234115.db2.gz QGZDOYXCGFOOLS-UHFFFAOYSA-N 1 0 369.465 2.263 50 0 FEAARO CCNC(=O)c1ccc(N2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)nc1 ZINC000106974687 132240815 /nfs/dbraw/zinc/24/08/15/132240815.db2.gz XSPOXFXECUUFFU-IBGZPJMESA-N 1 0 374.529 2.285 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCN(c2ncccn2)CC1 ZINC000230205244 132289192 /nfs/dbraw/zinc/28/91/92/132289192.db2.gz VKAZICGGDJNPHG-ROUUACIJSA-N 1 0 357.502 2.074 50 0 FEAARO CN1C(=O)c2ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc2C1=O ZINC000089374702 542762168 /nfs/dbraw/zinc/76/21/68/542762168.db2.gz KBAJUPRFFUAJQU-UHFFFAOYSA-N 1 0 355.438 2.003 50 0 FEAARO CC(=O)c1nc(CC[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)[nH]c1C ZINC000089547795 542764589 /nfs/dbraw/zinc/76/45/89/542764589.db2.gz OVBQTZMZYRAGGN-UHFFFAOYSA-N 1 0 368.437 2.478 50 0 FEAARO CC(C)[NH+]1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 ZINC000011763520 132850836 /nfs/dbraw/zinc/85/08/36/132850836.db2.gz ITWWFPHYLGGYDF-UHFFFAOYSA-N 1 0 353.430 2.155 50 0 FEAARO CC[N@H+](C)C[C@@H]1CN(Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]1CO ZINC000091519442 542811786 /nfs/dbraw/zinc/81/17/86/542811786.db2.gz UMKCIPUMECJEFR-RTBURBONSA-N 1 0 370.497 2.144 50 0 FEAARO COCCC[N@@H+]1C[C@H](NC(=O)c2ccc(OC)c(F)c2)[C@@H](C2CC2)C1 ZINC000091547136 542812350 /nfs/dbraw/zinc/81/23/50/542812350.db2.gz RAQWTVZGYNWRRR-WBVHZDCISA-N 1 0 350.434 2.311 50 0 FEAARO CNC(=O)CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091585678 542813429 /nfs/dbraw/zinc/81/34/29/542813429.db2.gz YJKYHSRRVCXGHF-IBGZPJMESA-N 1 0 369.509 2.383 50 0 FEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2[nH]c(-c3ccccc3)nc2C)C[C@@H]1CO ZINC000091595991 542815041 /nfs/dbraw/zinc/81/50/41/542815041.db2.gz RUWVJZQRQAOVTM-IAGOWNOFSA-N 1 0 356.470 2.017 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1COc2ccccc2C1 ZINC000091665279 542818792 /nfs/dbraw/zinc/81/87/92/542818792.db2.gz NQBFOCMOHICNDH-QGZVFWFLSA-N 1 0 351.450 2.414 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3c[nH]c(=O)c4ccccc34)C[C@@H]2[NH3+])c1 ZINC000091644272 542818177 /nfs/dbraw/zinc/81/81/77/542818177.db2.gz DVSVWNFDRDHWQC-MOPGFXCFSA-N 1 0 363.417 2.104 50 0 FEAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000091872329 542829973 /nfs/dbraw/zinc/82/99/73/542829973.db2.gz CJRMBYLRTLWIRD-QGZVFWFLSA-N 1 0 366.469 2.448 50 0 FEAARO COc1cccc(-c2cccc(C[N@@H+]3CCN(C(C)=O)C[C@@H](O)C3)c2)c1 ZINC000092062196 542842369 /nfs/dbraw/zinc/84/23/69/542842369.db2.gz QWUYNAKUJOGGSE-FQEVSTJZSA-N 1 0 354.450 2.387 50 0 FEAARO CCc1ccc(NC(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091931626 542833188 /nfs/dbraw/zinc/83/31/88/542833188.db2.gz PKXFWWUMPDCNJI-HXUWFJFHSA-N 1 0 358.486 2.409 50 0 FEAARO O=C(CSc1ncccn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091931996 542833193 /nfs/dbraw/zinc/83/31/93/542833193.db2.gz USPFMBYJKVNHEP-DLBZAZTESA-N 1 0 369.494 2.087 50 0 FEAARO Cc1ocnc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000091964622 542833944 /nfs/dbraw/zinc/83/39/44/542833944.db2.gz BXOFHCMNWPQRAY-UHFFFAOYSA-N 1 0 357.458 2.352 50 0 FEAARO C[C@@H](CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000092099111 542845887 /nfs/dbraw/zinc/84/58/87/542845887.db2.gz IRNKDMCZLPMFPU-INIZCTEOSA-N 1 0 365.905 2.095 50 0 FEAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCc1cnn(C)c1 ZINC000056493375 136127845 /nfs/dbraw/zinc/12/78/45/136127845.db2.gz LCXNBZJAISAUGF-GOSISDBHSA-N 1 0 369.513 2.070 50 0 FEAARO Cc1ccc([C@H](CNC(=O)C2CCN(c3ncccn3)CC2)[NH+](C)C)cc1 ZINC000058251063 136131339 /nfs/dbraw/zinc/13/13/39/136131339.db2.gz KSAVMDIBOUEUGG-IBGZPJMESA-N 1 0 367.497 2.421 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)n(C)n1 ZINC000095371352 542962823 /nfs/dbraw/zinc/96/28/23/542962823.db2.gz UPEMLFMRODQWOX-CYBMUJFWSA-N 1 0 370.501 2.136 50 0 FEAARO CCCc1cncnc1N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072418375 136145706 /nfs/dbraw/zinc/14/57/06/136145706.db2.gz MVTARXNWZQNRJJ-FQEVSTJZSA-N 1 0 359.518 2.200 50 0 FEAARO c1cnn(CC2CCN(c3nc(C4CC4)nc4c3CC[NH2+]CC4)CC2)c1 ZINC000072421159 136146084 /nfs/dbraw/zinc/14/60/84/136146084.db2.gz RHOJZPFVTRGYLS-UHFFFAOYSA-N 1 0 352.486 2.155 50 0 FEAARO CN1CC2(CCN(C(=O)c3cccc([C@H]4CCC[NH2+]C4)c3)CC2)OC1=O ZINC000095376125 542963843 /nfs/dbraw/zinc/96/38/43/542963843.db2.gz CPDALKKFQPJKNF-KRWDZBQOSA-N 1 0 357.454 2.210 50 0 FEAARO OCC[C@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000072447842 136147987 /nfs/dbraw/zinc/14/79/87/136147987.db2.gz ITJSSSBMMGNHTE-SFHVURJKSA-N 1 0 365.481 2.464 50 0 FEAARO Cc1cc2nc(C)cc(N3CCC([C@H](C)[NH+]4CCN(C)CC4)CC3)n2n1 ZINC000072462640 136148588 /nfs/dbraw/zinc/14/85/88/136148588.db2.gz CVTXYESERUVYBM-KRWDZBQOSA-N 1 0 356.518 2.198 50 0 FEAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000095346214 542957111 /nfs/dbraw/zinc/95/71/11/542957111.db2.gz YYDFFHKIEHTPIA-OSAWLIQMSA-N 1 0 369.465 2.170 50 0 FEAARO O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095359350 542959459 /nfs/dbraw/zinc/95/94/59/542959459.db2.gz SLYHQXAQCHOHFK-OAHLLOKOSA-N 1 0 354.458 2.138 50 0 FEAARO CN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC000095357343 542959544 /nfs/dbraw/zinc/95/95/44/542959544.db2.gz KZTSHUHPTZIRCL-GOSISDBHSA-N 1 0 355.482 2.089 50 0 FEAARO O=C(CSc1ccccn1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095363331 542960284 /nfs/dbraw/zinc/96/02/84/542960284.db2.gz UFHAHPFCFQZJQE-DOTOQJQBSA-N 1 0 361.511 2.276 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3ncc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095366705 542961121 /nfs/dbraw/zinc/96/11/21/542961121.db2.gz MWAJEBUQBQUBCH-RCCFBDPRSA-N 1 0 352.438 2.121 50 0 FEAARO CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cnccn2)C3)c1C ZINC000095392349 542968160 /nfs/dbraw/zinc/96/81/60/542968160.db2.gz LLNXTZRZEOBJMG-IAGOWNOFSA-N 1 0 368.485 2.046 50 0 FEAARO C[NH+](C)CCOc1cc(CNC(=O)CCc2nc3ccccc3[nH]2)ccn1 ZINC000095447611 542969791 /nfs/dbraw/zinc/96/97/91/542969791.db2.gz CYDXFRMLFSNZIJ-UHFFFAOYSA-N 1 0 367.453 2.147 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(CC(=O)N[C@H](C)c3ccccc3)CC2)CC1 ZINC000095432355 542970193 /nfs/dbraw/zinc/97/01/93/542970193.db2.gz PIBJZQSNCKLRNL-LJQANCHMSA-N 1 0 372.557 2.354 50 0 FEAARO C[C@@H]1CN(Cc2nnc(-c3cccs3)o2)CCN1C1CC[NH+](C)CC1 ZINC000095456057 542971254 /nfs/dbraw/zinc/97/12/54/542971254.db2.gz YJKPMKMWIVSZFD-CQSZACIVSA-N 1 0 361.515 2.398 50 0 FEAARO Cc1nc2c(c(NCC[N@@H+]3CCC[C@H](CO)C3)n1)Cc1ccccc1OC2 ZINC000095507129 542975930 /nfs/dbraw/zinc/97/59/30/542975930.db2.gz SRNMZNDZDUQFSX-INIZCTEOSA-N 1 0 368.481 2.384 50 0 FEAARO O=C([C@H]1CCOc2ccccc2C1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000095507801 542977165 /nfs/dbraw/zinc/97/71/65/542977165.db2.gz VEMAKNKFMVIUCT-SFHVURJKSA-N 1 0 358.482 2.077 50 0 FEAARO O=C(Cc1ccc(F)cc1F)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095513276 542977961 /nfs/dbraw/zinc/97/79/61/542977961.db2.gz FVGJEILTGKHYJW-GOSISDBHSA-N 1 0 360.404 2.213 50 0 FEAARO C[N@@H+]1CCC[C@H](CN2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522897 542979820 /nfs/dbraw/zinc/97/98/20/542979820.db2.gz YJCWYQQZGXWMEB-KRWDZBQOSA-N 1 0 374.533 2.490 50 0 FEAARO O[C@@H](COc1ccccc1CN1CCc2n[nH]cc2C1)C[NH+]1CCCCC1 ZINC000095523762 542980078 /nfs/dbraw/zinc/98/00/78/542980078.db2.gz IVRXASZYCVKWPJ-LJQANCHMSA-N 1 0 370.497 2.194 50 0 FEAARO O[C@H](COc1ccccc1CN1CCc2n[nH]cc2C1)C[NH+]1CCCCC1 ZINC000095523763 542980098 /nfs/dbraw/zinc/98/00/98/542980098.db2.gz IVRXASZYCVKWPJ-IBGZPJMESA-N 1 0 370.497 2.194 50 0 FEAARO CC[NH+]1CCN(C(C)(C)CNC(=O)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000095524524 542980811 /nfs/dbraw/zinc/98/08/11/542980811.db2.gz NMKGVNDJTFUBMM-LJQANCHMSA-N 1 0 360.546 2.130 50 0 FEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC000096099748 542991188 /nfs/dbraw/zinc/99/11/88/542991188.db2.gz YVXSYWFQYRFOBF-MRXNPFEDSA-N 1 0 372.918 2.258 50 0 FEAARO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000096131006 542992784 /nfs/dbraw/zinc/99/27/84/542992784.db2.gz OTEQNYIJRIRNAZ-KRWDZBQOSA-N 1 0 364.511 2.007 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000096125620 542992936 /nfs/dbraw/zinc/99/29/36/542992936.db2.gz KJBYJLKQYRFYSL-CRAIPNDOSA-N 1 0 370.501 2.421 50 0 FEAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343827 542998522 /nfs/dbraw/zinc/99/85/22/542998522.db2.gz AHAIRZAPYGTJAM-MAUKXSAKSA-N 1 0 368.481 2.236 50 0 FEAARO O=C(CCc1nc(-c2ccncc2)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343847 542998779 /nfs/dbraw/zinc/99/87/79/542998779.db2.gz ZLTJJMXOFVRLPO-IAGOWNOFSA-N 1 0 369.469 2.445 50 0 FEAARO CCc1c(C(=O)N2CC[C@H]([NH3+])C2)cnn1-c1ccc(Br)cc1 ZINC000097020002 543002669 /nfs/dbraw/zinc/00/26/69/543002669.db2.gz LTGVLEQKNGJEEO-LBPRGKRZSA-N 1 0 363.259 2.370 50 0 FEAARO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000097162459 543006052 /nfs/dbraw/zinc/00/60/52/543006052.db2.gz MXLJRKVHTYZNHD-KBPBESRZSA-N 1 0 367.453 2.340 50 0 FEAARO CCOC(=O)c1nc[nH]c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC000097619455 543013597 /nfs/dbraw/zinc/01/35/97/543013597.db2.gz QVYKAINFGHNHQR-OAHLLOKOSA-N 1 0 370.453 2.147 50 0 FEAARO Cc1cccc(=O)n1CCC(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097775678 543016049 /nfs/dbraw/zinc/01/60/49/543016049.db2.gz GUBFPCBUSVWLNA-LJQANCHMSA-N 1 0 368.481 2.285 50 0 FEAARO CCC(=O)Nc1cc(NC(=O)NCCCN2CC[NH+](C)CC2)ccc1C ZINC000097347237 543010675 /nfs/dbraw/zinc/01/06/75/543010675.db2.gz ZFMYQBVQWVBGFG-UHFFFAOYSA-N 1 0 361.490 2.103 50 0 FEAARO Cc1ccc(NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(C)n1 ZINC000152225187 544627455 /nfs/dbraw/zinc/62/74/55/544627455.db2.gz TUWHVRYWLDDLMA-UHFFFAOYSA-N 1 0 354.458 2.167 50 0 FEAARO COc1ccc2[nH]c(CNC(=O)Cn3nccc3[C@H]3CCC[NH2+]C3)cc2c1 ZINC000426547594 263630787 /nfs/dbraw/zinc/63/07/87/263630787.db2.gz IDLVTJSQHOMLAZ-AWEZNQCLSA-N 1 0 367.453 2.156 50 0 FEAARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000187452951 328026482 /nfs/dbraw/zinc/02/64/82/328026482.db2.gz SLEUGZYUAGQCND-OALUTQOASA-N 1 0 359.514 2.496 50 0 FEAARO CC(C)(C)n1cc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)nn1 ZINC000190828059 328234644 /nfs/dbraw/zinc/23/46/44/328234644.db2.gz ZBTFUIZPLJTPPW-UHFFFAOYSA-N 1 0 370.501 2.343 50 0 FEAARO CN(C)CC[NH+]1CCC(CNC(=O)c2cnc(-c3ccco3)s2)CC1 ZINC000172201917 327186756 /nfs/dbraw/zinc/18/67/56/327186756.db2.gz ZFGJLTZWANMXKV-UHFFFAOYSA-N 1 0 362.499 2.407 50 0 FEAARO CC(C)[C@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H]1NC(=O)C1(C(N)=O)CC1 ZINC000091643397 519826683 /nfs/dbraw/zinc/82/66/83/519826683.db2.gz BVSGDXXRNFEJPD-LJFWHQRKSA-N 1 0 355.482 2.038 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)CN3CCc4ccccc43)cc2C1 ZINC000082107168 519854796 /nfs/dbraw/zinc/85/47/96/519854796.db2.gz VGMOCLFWIHYRBZ-UHFFFAOYSA-N 1 0 367.497 2.178 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Cn3nc(C)c(CC)c3C)cc2C1 ZINC000082092285 519854896 /nfs/dbraw/zinc/85/48/96/519854896.db2.gz DRYFEWGNCPOILT-UHFFFAOYSA-N 1 0 372.517 2.191 50 0 FEAARO CCC[C@H]1C[N@H+](CCC(=O)NC)C[C@@H]1NC(=O)c1sccc1Cl ZINC000091351126 521217853 /nfs/dbraw/zinc/21/78/53/521217853.db2.gz MQGLIXCNKATOTJ-AAEUAGOBSA-N 1 0 357.907 2.368 50 0 FEAARO CN(CC1(CO)CCOCC1)C(=O)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000091574825 522597767 /nfs/dbraw/zinc/59/77/67/522597767.db2.gz IMRZHZCJFSVXBO-GOSISDBHSA-N 1 0 360.498 2.090 50 0 FEAARO Cc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)n1 ZINC000019954130 524401444 /nfs/dbraw/zinc/40/14/44/524401444.db2.gz ZRKWMSDHGHBICQ-NRFANRHFSA-N 1 0 360.546 2.131 50 0 FEAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CN2c3ccccc3OCC2=O)C1 ZINC000248132820 524577576 /nfs/dbraw/zinc/57/75/76/524577576.db2.gz ZCQQJIUKNBKPFU-ZACQAIPSSA-N 1 0 371.481 2.276 50 0 FEAARO Cc1cc(C2CCC2)nc(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)n1 ZINC000091321360 524606202 /nfs/dbraw/zinc/60/62/02/524606202.db2.gz AMSHLLPWOWUWRM-UKBAYJJMSA-N 1 0 374.529 2.206 50 0 FEAARO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)C[C@H](C)O1 ZINC000084706144 524966327 /nfs/dbraw/zinc/96/63/27/524966327.db2.gz NXRKTRXVHNBHFY-NBMJBFSESA-N 1 0 366.477 2.139 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000156558035 525010773 /nfs/dbraw/zinc/01/07/73/525010773.db2.gz ALRBGTSGNRADCW-ZYHUDNBSSA-N 1 0 364.389 2.180 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000269605120 525020269 /nfs/dbraw/zinc/02/02/69/525020269.db2.gz BYPFRHYHNJQKPC-BXKDBHETSA-N 1 0 365.268 2.479 50 0 FEAARO Cc1ccccc1OC[C@@H]1CCCN(C(=O)CN(C)C2CC[NH2+]CC2)C1 ZINC000082170636 525309996 /nfs/dbraw/zinc/30/99/96/525309996.db2.gz BFAVNTZBXWMJCQ-GOSISDBHSA-N 1 0 359.514 2.296 50 0 FEAARO Cc1ccc(OC2CCN(C(=O)CN(C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000082098170 525372179 /nfs/dbraw/zinc/37/21/79/525372179.db2.gz YLVMXKZMGCIBJK-UHFFFAOYSA-N 1 0 359.514 2.391 50 0 FEAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000328594544 534859786 /nfs/dbraw/zinc/85/97/86/534859786.db2.gz SHEAGLWDLUYPFE-FQEVSTJZSA-N 1 0 364.534 2.004 50 0 FEAARO O=C(COc1ccc(Cl)cc1Cl)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000091594475 526955840 /nfs/dbraw/zinc/95/58/40/526955840.db2.gz XZHYYMOTYONIJS-LBPRGKRZSA-N 1 0 361.269 2.193 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)C1 ZINC000158233612 527399703 /nfs/dbraw/zinc/39/97/03/527399703.db2.gz IKQGEASPDPOERJ-NWDGAFQWSA-N 1 0 356.253 2.296 50 0 FEAARO Cc1ncsc1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091435139 527500245 /nfs/dbraw/zinc/50/02/45/527500245.db2.gz KINJBRULYBQNQN-UHFFFAOYSA-N 1 0 357.487 2.204 50 0 FEAARO OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000089834875 527594898 /nfs/dbraw/zinc/59/48/98/527594898.db2.gz JERDWRKMGALIND-PMACEKPBSA-N 1 0 368.477 2.430 50 0 FEAARO CCCCSc1ncc(C[N@@H+]2CC[C@@H]3OCc4cnnn4[C@H]3C2)cn1 ZINC000299800171 528745419 /nfs/dbraw/zinc/74/54/19/528745419.db2.gz VQKRRMQZEOUMQU-HOTGVXAUSA-N 1 0 360.487 2.306 50 0 FEAARO c1ccc(-c2noc(CC[N@@H+]3CCCN(c4cccnn4)CC3)n2)cc1 ZINC000157921337 545800054 /nfs/dbraw/zinc/80/00/54/545800054.db2.gz NPCFFVBLNQJESG-UHFFFAOYSA-N 1 0 350.426 2.281 50 0 FEAARO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CN1CCN1CCOCC1 ZINC000172697158 546264595 /nfs/dbraw/zinc/26/45/95/546264595.db2.gz QMTSHSXJXZVLRZ-AWEZNQCLSA-N 1 0 372.296 2.016 50 0 FEAARO [NH3+][C@H]1C[C@H](c2cc(NCc3ccccc3CN3CCCC3=O)ncn2)C1 ZINC000223924691 548726253 /nfs/dbraw/zinc/72/62/53/548726253.db2.gz MKUJCXATZQPLOX-CALCHBBNSA-N 1 0 351.454 2.416 50 0 FEAARO COc1ccc([C@@H](CN2CC[NH+](C)CC2)NC(=O)c2csc(C)n2)cc1 ZINC000225530856 548737716 /nfs/dbraw/zinc/73/77/16/548737716.db2.gz NWMNVLUPLCDQSW-QGZVFWFLSA-N 1 0 374.510 2.179 50 0 FEAARO Nc1nc(N2CCC[N@H+](Cc3cccs3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000240824853 548884507 /nfs/dbraw/zinc/88/45/07/548884507.db2.gz QLKSKYDZZNXELC-OKILXGFUSA-N 1 0 359.499 2.071 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000244678933 548892776 /nfs/dbraw/zinc/89/27/76/548892776.db2.gz IMPFLHMVTSOSGH-KBPBESRZSA-N 1 0 370.375 2.419 50 0 FEAARO CCn1cnnc1[C@H]1CCCN([C@H](C)C(=O)Nc2ccnn2C(C)C)C1 ZINC000246174429 549070258 /nfs/dbraw/zinc/07/02/58/549070258.db2.gz SVHVJXOOEUNPDJ-CABCVRRESA-N 1 0 359.478 2.282 50 0 FEAARO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000252503561 549670574 /nfs/dbraw/zinc/67/05/74/549670574.db2.gz VFGXYZUNEJTGDY-HNNXBMFYSA-N 1 0 357.498 2.409 50 0 FEAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000253403818 549686570 /nfs/dbraw/zinc/68/65/70/549686570.db2.gz HMCGNEYYAIREAX-UHFFFAOYSA-N 1 0 374.828 2.447 50 0 FEAARO CO[C@@H]1C[N@H+](C2CCN(C(=O)NC3CCCCC3)CC2)C12CCOCC2 ZINC000257181156 549712275 /nfs/dbraw/zinc/71/22/75/549712275.db2.gz MPCXPFSNAYRWFM-GOSISDBHSA-N 1 0 365.518 2.373 50 0 FEAARO CC(C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)CCC(=O)NCC1 ZINC000257177888 549712646 /nfs/dbraw/zinc/71/26/46/549712646.db2.gz FMAHXVIYYWFWEZ-LJQANCHMSA-N 1 0 374.529 2.352 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CC2)[NH2+]CCc2c4ccccc4[nH]c23)nn1C ZINC000257184120 549713685 /nfs/dbraw/zinc/71/36/85/549713685.db2.gz IENPCCUZCJPVQA-UHFFFAOYSA-N 1 0 363.465 2.487 50 0 FEAARO Cc1ccc(NC(=O)N2CC[C@@H](c3nnc4n3CC[N@@H+](C)CC4)C2)c(C)c1 ZINC000257188218 549713843 /nfs/dbraw/zinc/71/38/43/549713843.db2.gz MNLPMZGRMDEPAA-MRXNPFEDSA-N 1 0 368.485 2.404 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc2c1ccn2CCOC ZINC000263587217 549911175 /nfs/dbraw/zinc/91/11/75/549911175.db2.gz DOBKVFCQQFDYQJ-MRXNPFEDSA-N 1 0 359.470 2.267 50 0 FEAARO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2n[nH]nc2C1 ZINC000291850311 552668144 /nfs/dbraw/zinc/66/81/44/552668144.db2.gz DNJXPIRTFDWXFC-MSOLQXFVSA-N 1 0 367.497 2.328 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000299754493 553610605 /nfs/dbraw/zinc/61/06/05/553610605.db2.gz YDTPMMLDERXFRH-HKUYNNGSSA-N 1 0 355.482 2.365 50 0 FEAARO CCC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299757200 553611037 /nfs/dbraw/zinc/61/10/37/553611037.db2.gz IZMNENIFERQQME-SFHVURJKSA-N 1 0 350.434 2.306 50 0 FEAARO Cc1nc2cc(CC(=O)N3CC[NH+](C4CCSCC4)CC3)ccc2[nH]1 ZINC000299766150 553612399 /nfs/dbraw/zinc/61/23/99/553612399.db2.gz BNYQQBXXRUVJHU-UHFFFAOYSA-N 1 0 358.511 2.454 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000299770292 553612484 /nfs/dbraw/zinc/61/24/84/553612484.db2.gz RAIDGYUDSVLCFV-GOSISDBHSA-N 1 0 362.474 2.202 50 0 FEAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc3nnnn3c2)cc1 ZINC000299768886 553612655 /nfs/dbraw/zinc/61/26/55/553612655.db2.gz ZTIVQGXSGPNFON-QGZVFWFLSA-N 1 0 350.426 2.163 50 0 FEAARO Cn1cnc2cc(C(=O)N[C@H]3CCC[N@@H+](C4CCCCC4)C3)ccc2c1=O ZINC000299774119 553613415 /nfs/dbraw/zinc/61/34/15/553613415.db2.gz ANUFANWGKDUKCG-INIZCTEOSA-N 1 0 368.481 2.460 50 0 FEAARO C[NH+](C)[C@H]1CN(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)C[C@@H]1O ZINC000299779458 553613607 /nfs/dbraw/zinc/61/36/07/553613607.db2.gz VRYHHKKGBUWTGT-MYQPPDNISA-N 1 0 352.438 2.391 50 0 FEAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cc(=O)cc(C)n2C)C1 ZINC000299778500 553613655 /nfs/dbraw/zinc/61/36/55/553613655.db2.gz GKMHKEZIWDTPAD-QGZVFWFLSA-N 1 0 353.466 2.221 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cc4c([nH]c3=O)CCC4)cc2C1 ZINC000299777463 553613869 /nfs/dbraw/zinc/61/38/69/553613869.db2.gz OQVNSKFWUQEJSJ-UHFFFAOYSA-N 1 0 369.469 2.018 50 0 FEAARO CC1(C)CN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C[C@H](C(F)(F)F)O1 ZINC000333311458 554601498 /nfs/dbraw/zinc/60/14/98/554601498.db2.gz LRKCFNPCDSIOEZ-BXUZGUMPSA-N 1 0 372.391 2.471 50 0 FEAARO COc1ccc(C(=O)Cn2c3ccccc3n(CC[NH+](C)C)c2=N)cc1 ZINC000367837769 556151038 /nfs/dbraw/zinc/15/10/38/556151038.db2.gz HWBRBTIQYIPUBA-UHFFFAOYSA-N 1 0 352.438 2.375 50 0 FEAARO Cc1n[nH]cc1C1CCN(c2cc(N3CCCC[C@@H]3CO)ncn2)CC1 ZINC000376460645 558176253 /nfs/dbraw/zinc/17/62/53/558176253.db2.gz JLXNRRFHEXQCGP-MRXNPFEDSA-N 1 0 356.474 2.243 50 0 FEAARO Cc1c(C(=O)NCc2cn(-c3ccncc3)nn2)cnn1-c1ccccc1 ZINC000390832203 558612444 /nfs/dbraw/zinc/61/24/44/558612444.db2.gz XZRSYMVDVBUCBZ-UHFFFAOYSA-N 1 0 359.393 2.086 50 0 FEAARO CCN(Cc1noc(C2CCC2)n1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426496788 559735966 /nfs/dbraw/zinc/73/59/66/559735966.db2.gz FEOXYPPVEASANZ-HNNXBMFYSA-N 1 0 372.473 2.049 50 0 FEAARO COCc1nc([C@H]2CCOC2)cc(N2C[C@]3(C)C[N@H+](C)C[C@](C)(C2)C3)n1 ZINC000426503176 559736023 /nfs/dbraw/zinc/73/60/23/559736023.db2.gz YLALITADOKQKEO-RYGJVYDSSA-N 1 0 360.502 2.295 50 0 FEAARO CN(Cc1nc(C2CC2)no1)C(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426527043 559737013 /nfs/dbraw/zinc/73/70/13/559737013.db2.gz UUIKJZJQWZMWLS-UHFFFAOYSA-N 1 0 350.806 2.210 50 0 FEAARO NC(=O)c1cncc(N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)n1 ZINC000426535926 559737104 /nfs/dbraw/zinc/73/71/04/559737104.db2.gz RHNRAYXGRGEANI-OAQYLSRUSA-N 1 0 365.481 2.111 50 0 FEAARO Cn1c(SCC(=O)NC2CCCCCC2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426544752 559737370 /nfs/dbraw/zinc/73/73/70/559737370.db2.gz LBPAVAWBVMJYTF-ZDUSSCGKSA-N 1 0 351.520 2.213 50 0 FEAARO CNC(=O)c1ccc(OC)c(-c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)c1 ZINC000426573028 559738049 /nfs/dbraw/zinc/73/80/49/559738049.db2.gz GZVFTWFXDLGMFE-KRWDZBQOSA-N 1 0 367.449 2.204 50 0 FEAARO Cc1c[nH]c(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)n1 ZINC000426589049 559738345 /nfs/dbraw/zinc/73/83/45/559738345.db2.gz NYVVOUWDRYORTK-SFHVURJKSA-N 1 0 353.470 2.103 50 0 FEAARO CN(Cc1nc2cc(F)ccc2[nH]1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426596639 559738687 /nfs/dbraw/zinc/73/86/87/559738687.db2.gz RJKXUKQXQRIKCM-ZDUSSCGKSA-N 1 0 370.432 2.024 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c(=O)[nH]1 ZINC000426606714 559738870 /nfs/dbraw/zinc/73/88/70/559738870.db2.gz HJHMIRKRGFSTLE-NRFANRHFSA-N 1 0 372.513 2.456 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)NCCc2cccc3ccccc32)C1 ZINC000426615154 559739012 /nfs/dbraw/zinc/73/90/12/559739012.db2.gz MTQRWRCHXZFJES-NRFANRHFSA-N 1 0 355.482 2.480 50 0 FEAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)n1 ZINC000426739972 559741330 /nfs/dbraw/zinc/74/13/30/559741330.db2.gz XKFDWPZDLCOYFC-GOSISDBHSA-N 1 0 351.454 2.441 50 0 FEAARO C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1nnc2n1CCCC2 ZINC000527825574 562305337 /nfs/dbraw/zinc/30/53/37/562305337.db2.gz XIGTWXYSUBYTDU-HOCLYGCPSA-N 1 0 360.506 2.382 50 0 FEAARO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)c1nnc2n1CCCC2 ZINC000527825572 562305342 /nfs/dbraw/zinc/30/53/42/562305342.db2.gz XIGTWXYSUBYTDU-GDBMZVCRSA-N 1 0 360.506 2.382 50 0 FEAARO Cc1csc(-c2cccc(S(=O)(=O)N(C)[C@H](C[NH3+])C3CC3)c2)n1 ZINC000461899476 560786955 /nfs/dbraw/zinc/78/69/55/560786955.db2.gz OYSUJQIBKFXMIS-OAHLLOKOSA-N 1 0 351.497 2.476 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC000534586245 562537583 /nfs/dbraw/zinc/53/75/83/562537583.db2.gz WTMIJJYIKZLSAJ-IRXDYDNUSA-N 1 0 374.872 2.433 50 0 FEAARO C[C@H](CNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000534648510 562539181 /nfs/dbraw/zinc/53/91/81/562539181.db2.gz MFNNNPIEHCBBDB-QGZVFWFLSA-N 1 0 372.513 2.209 50 0 FEAARO COc1ccc(CN(C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)C2CC2)cc1 ZINC000534676135 562540076 /nfs/dbraw/zinc/54/00/76/562540076.db2.gz ZROJNSWQXJNTRT-KRWDZBQOSA-N 1 0 374.529 2.395 50 0 FEAARO CCC(=O)NCc1cc2n(n1)CCN([C@H]1CCN(c3ccc(F)cc3)C1)C2 ZINC000426477572 570607130 /nfs/dbraw/zinc/60/71/30/570607130.db2.gz NMFSACDQCYLZIF-SFHVURJKSA-N 1 0 371.460 2.143 50 0 FEAARO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)ccc1-n1cncn1 ZINC000583618864 570808485 /nfs/dbraw/zinc/80/84/85/570808485.db2.gz UJFKDBOBXCLESM-MISYRCLQSA-N 1 0 356.470 2.328 50 0 FEAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3nc4nccc(C)n4n3)CC2)c1 ZINC000048363785 570951377 /nfs/dbraw/zinc/95/13/77/570951377.db2.gz QLHFHVLZNQUSTN-UHFFFAOYSA-N 1 0 364.453 2.136 50 0 FEAARO O=C(Cc1ccc(F)cc1Cl)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000230549084 571096483 /nfs/dbraw/zinc/09/64/83/571096483.db2.gz NYIJSICZIAVWFG-MRXNPFEDSA-N 1 0 354.853 2.327 50 0 FEAARO Cn1cnc([C@@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@H]2[NH3+])c1 ZINC000685940794 571099652 /nfs/dbraw/zinc/09/96/52/571099652.db2.gz IOWVPWKGAYHMKC-HUUCEWRRSA-N 1 0 354.376 2.288 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cccc1-c1nnc(C2CCC2)o1 ZINC000035526490 571148529 /nfs/dbraw/zinc/14/85/29/571148529.db2.gz GRICJGZUJCCZEL-OAHLLOKOSA-N 1 0 357.458 2.406 50 0 FEAARO C[C@H](NC(=O)N1CCC([NH+]2CCC(O)CC2)CC1)c1nc2ccccc2[nH]1 ZINC000426420318 571222925 /nfs/dbraw/zinc/22/29/25/571222925.db2.gz OMHGPGLNRVGGLF-AWEZNQCLSA-N 1 0 371.485 2.255 50 0 FEAARO Cc1cc(CNC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)cnc1C ZINC000584885542 571313769 /nfs/dbraw/zinc/31/37/69/571313769.db2.gz MTJBAYVLZWAQBZ-LJQANCHMSA-N 1 0 360.502 2.485 50 0 FEAARO O=C(Cn1[nH]c2ccccc2c1=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670444877 571350406 /nfs/dbraw/zinc/35/04/06/571350406.db2.gz NSTXTAWNWUOIGU-CQSZACIVSA-N 1 0 370.478 2.172 50 0 FEAARO C[NH+](C)CCOc1ccc(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000670447576 571351223 /nfs/dbraw/zinc/35/12/23/571351223.db2.gz SUOBDHBWRJCSFI-FQEVSTJZSA-N 1 0 371.456 2.439 50 0 FEAARO CCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)C1 ZINC000670458269 571355446 /nfs/dbraw/zinc/35/54/46/571355446.db2.gz CMFKODAXBDKPLZ-AWEZNQCLSA-N 1 0 363.483 2.402 50 0 FEAARO CCOC(=O)N1CCC(N2CC[N@H+](CCC(C)C)[C@H](CCO)C2)CC1 ZINC000038149346 670139662 /nfs/dbraw/zinc/13/96/62/670139662.db2.gz REHUWTJTARZEPG-GOSISDBHSA-N 1 0 355.523 2.022 50 0 FEAARO O[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)COc1ccccc1Br ZINC000657927339 678046185 /nfs/dbraw/zinc/04/61/85/678046185.db2.gz PRMYABFJCAVPSC-QWHCGFSZSA-N 1 0 356.260 2.490 50 0 FEAARO Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662545027 678636455 /nfs/dbraw/zinc/63/64/55/678636455.db2.gz KTTDNTWCFJGMMH-NEPJUHHUSA-N 1 0 359.396 2.172 50 0 FEAARO Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC000662545028 678636512 /nfs/dbraw/zinc/63/65/12/678636512.db2.gz KTTDNTWCFJGMMH-NWDGAFQWSA-N 1 0 359.396 2.172 50 0 FEAARO Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)C[C@]1(C)CC[N@H+](C)C1 ZINC000952975694 681793817 /nfs/dbraw/zinc/79/38/17/681793817.db2.gz LPABSWXQHVTMJC-GOSISDBHSA-N 1 0 362.499 2.143 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1C(=O)COc2ccccc21 ZINC000006942051 539442057 /nfs/dbraw/zinc/44/20/57/539442057.db2.gz IBKLHKGCDJZTOJ-MRXNPFEDSA-N 1 0 359.470 2.183 50 0 FEAARO c1cnn(Cc2ccc(C[NH2+]Cc3cccnc3N3CCOCC3)cc2)c1 ZINC000011772448 539534876 /nfs/dbraw/zinc/53/48/76/539534876.db2.gz YEQMLSANDSEZOM-UHFFFAOYSA-N 1 0 363.465 2.453 50 0 FEAARO Cn1nccc1C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000011996439 539539728 /nfs/dbraw/zinc/53/97/28/539539728.db2.gz ALBJHQJKARMXCT-INIZCTEOSA-N 1 0 374.510 2.425 50 0 FEAARO CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Cn4ccnc4C(C)C)n[nH]3)C2)C1 ZINC000012302974 539553078 /nfs/dbraw/zinc/55/30/78/539553078.db2.gz SEOVKYYLIPOYTH-FQEVSTJZSA-N 1 0 370.501 2.336 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1 ZINC000012429985 539559269 /nfs/dbraw/zinc/55/92/69/539559269.db2.gz JRHIYVGDZKCKAN-CYBMUJFWSA-N 1 0 369.431 2.321 50 0 FEAARO CCOC(=O)CCNC(=O)N1CCC[C@H]([N@H+](CC)Cc2ccncc2)C1 ZINC000012434762 539560433 /nfs/dbraw/zinc/56/04/33/539560433.db2.gz IMACIRJXGXNYGK-KRWDZBQOSA-N 1 0 362.474 2.031 50 0 FEAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012584722 539566894 /nfs/dbraw/zinc/56/68/94/539566894.db2.gz RAEBUMWRUFBGDE-KRWDZBQOSA-N 1 0 366.421 2.198 50 0 FEAARO CC(=O)NCCC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012718708 539571435 /nfs/dbraw/zinc/57/14/35/539571435.db2.gz MMHAJULLPDZQDH-UHFFFAOYSA-N 1 0 363.477 2.065 50 0 FEAARO C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@]1(O)CCCN(CC2CC2)C1=O ZINC000012764201 539573009 /nfs/dbraw/zinc/57/30/09/539573009.db2.gz WNCXSZVNJGMFTE-NRFANRHFSA-N 1 0 368.481 2.068 50 0 FEAARO CC(C)[C@@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1 ZINC000012996976 539581434 /nfs/dbraw/zinc/58/14/34/539581434.db2.gz MRXTZQNNSRIZHA-UYAOXDASSA-N 1 0 367.449 2.253 50 0 FEAARO O=C(c1cn(C2CC[NH+](Cc3ccccn3)CC2)nn1)N1CCCCC1 ZINC000014983941 539608126 /nfs/dbraw/zinc/60/81/26/539608126.db2.gz CATKBYQGUPLICI-UHFFFAOYSA-N 1 0 354.458 2.136 50 0 FEAARO COCCNC(=O)CCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000015074936 539611453 /nfs/dbraw/zinc/61/14/53/539611453.db2.gz NRJIBSRCCUWRRS-UHFFFAOYSA-N 1 0 358.486 2.328 50 0 FEAARO CCOC(=O)N1CCC(N2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)CC1 ZINC000020780321 539677541 /nfs/dbraw/zinc/67/75/41/539677541.db2.gz ATNAUFJFCLROAS-KRWDZBQOSA-N 1 0 355.523 2.022 50 0 FEAARO Cc1cc(N2CC[NH+](C)CC2)n2nc(Cc3ccc(Cl)cc3)nc2n1 ZINC000020888832 539678355 /nfs/dbraw/zinc/67/83/55/539678355.db2.gz DSCACAIKVLNXTN-UHFFFAOYSA-N 1 0 356.861 2.429 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(Nc3ccc(OC)cc3)n2)CC1 ZINC000021928693 539689866 /nfs/dbraw/zinc/68/98/66/539689866.db2.gz KNQVRZOUKXYZSO-UHFFFAOYSA-N 1 0 367.457 2.257 50 0 FEAARO CN1c2cc(C(=O)NCC[NH+]3CCCCC3)ccc2N2CCCC[C@@H]2C1=O ZINC000021938499 539689900 /nfs/dbraw/zinc/68/99/00/539689900.db2.gz OTRLWZLTBNFFSG-GOSISDBHSA-N 1 0 370.497 2.238 50 0 FEAARO C[NH2+]Cc1cn(C2CCN(Cc3c(F)c(F)ccc3OC)CC2)nn1 ZINC000023232252 539709456 /nfs/dbraw/zinc/70/94/56/539709456.db2.gz MGKFNZMWTOHICW-UHFFFAOYSA-N 1 0 351.401 2.121 50 0 FEAARO C[NH+]1CCC(NC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 ZINC000023242141 539709550 /nfs/dbraw/zinc/70/95/50/539709550.db2.gz HVNUJKWSGDECNN-AWEZNQCLSA-N 1 0 353.875 2.353 50 0 FEAARO CCn1nnc2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+](C)C)ccc21 ZINC000023656406 539718444 /nfs/dbraw/zinc/71/84/44/539718444.db2.gz IPILBRDCOWQRSW-IBGZPJMESA-N 1 0 367.453 2.493 50 0 FEAARO O=C(NC1CC[NH+](C[C@H](O)COc2ccccc2)CC1)c1ccccc1 ZINC000025304920 539754984 /nfs/dbraw/zinc/75/49/84/539754984.db2.gz XQWKSROUERATQO-IBGZPJMESA-N 1 0 354.450 2.321 50 0 FEAARO O=C(c1ccc2c(c1)OCC(=O)N2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000026357766 539784508 /nfs/dbraw/zinc/78/45/08/539784508.db2.gz GNSTVPYPWPRXIB-UHFFFAOYSA-N 1 0 365.433 2.366 50 0 FEAARO CCCCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000033032701 539964286 /nfs/dbraw/zinc/96/42/86/539964286.db2.gz JGGINRSBIMXBFN-UHFFFAOYSA-N 1 0 355.841 2.153 50 0 FEAARO C[C@@H](CCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)[NH+]1CCCC1 ZINC000033061278 539966190 /nfs/dbraw/zinc/96/61/90/539966190.db2.gz BKYXLCVDPGINKJ-ZDUSSCGKSA-N 1 0 373.482 2.395 50 0 FEAARO CC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000035958917 539985056 /nfs/dbraw/zinc/98/50/56/539985056.db2.gz YXFCIEPAELMUGI-UHFFFAOYSA-N 1 0 357.498 2.068 50 0 FEAARO Cc1nccn1-c1ccc(CNC(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000057127530 540771081 /nfs/dbraw/zinc/77/10/81/540771081.db2.gz BMVARYDEUYPGAR-HOTGVXAUSA-N 1 0 370.501 2.353 50 0 FEAARO C[NH+]1CCC(NC(=O)CSc2ncccc2-c2noc(C3CC3)n2)CC1 ZINC000065211389 541228663 /nfs/dbraw/zinc/22/86/63/541228663.db2.gz ZRAHDOJVVRFIAO-UHFFFAOYSA-N 1 0 373.482 2.312 50 0 FEAARO Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)CC[NH3+])CC1 ZINC000067886623 541525396 /nfs/dbraw/zinc/52/53/96/541525396.db2.gz PLLYJBWYYKVIGB-UHFFFAOYSA-N 1 0 370.457 2.348 50 0 FEAARO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000067956235 541532830 /nfs/dbraw/zinc/53/28/30/541532830.db2.gz UEOVBHDLUMLWDQ-OAHLLOKOSA-N 1 0 363.506 2.405 50 0 FEAARO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000069114527 541658855 /nfs/dbraw/zinc/65/88/55/541658855.db2.gz DNYOJFFDJNDMGF-DOTOQJQBSA-N 1 0 362.499 2.266 50 0 FEAARO Cc1n[nH]c(C)c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405768 541766626 /nfs/dbraw/zinc/76/66/26/541766626.db2.gz LGFRNINKDYHBTJ-GOSISDBHSA-N 1 0 373.545 2.325 50 0 FEAARO O=S(=O)(NCc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000071440252 541767374 /nfs/dbraw/zinc/76/73/74/541767374.db2.gz HYDUWKSGMYPWEW-UHFFFAOYSA-N 1 0 359.495 2.407 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)n[nH]1 ZINC000071748926 541769248 /nfs/dbraw/zinc/76/92/48/541769248.db2.gz KQPVBZCDVZZTKD-JKSUJKDBSA-N 1 0 370.453 2.306 50 0 FEAARO CC[C@H](C)[C@H](Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2)C(=O)OC ZINC000071746168 541769360 /nfs/dbraw/zinc/76/93/60/541769360.db2.gz 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Cc1ccn2c(nnc2C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072147488 541789195 /nfs/dbraw/zinc/78/91/95/541789195.db2.gz BWMLCWKGDWJIEG-MRXNPFEDSA-N 1 0 356.474 2.207 50 0 FEAARO CN(C)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072153963 541790537 /nfs/dbraw/zinc/79/05/37/541790537.db2.gz QQKFMLVJCWFTLZ-FQEVSTJZSA-N 1 0 365.477 2.097 50 0 FEAARO O=C(COCc1ccccc1)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072156763 541791870 /nfs/dbraw/zinc/79/18/70/541791870.db2.gz ASAVDARQKYTLDP-RTWAWAEBSA-N 1 0 366.461 2.056 50 0 FEAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1(Cn2cccn2)CC1 ZINC000072161834 541792142 /nfs/dbraw/zinc/79/21/42/541792142.db2.gz JWQGIGJGXBIDSI-LJQANCHMSA-N 1 0 352.482 2.487 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000072161958 541792148 /nfs/dbraw/zinc/79/21/48/541792148.db2.gz NRBSKFXNDFQABR-LJQANCHMSA-N 1 0 359.495 2.263 50 0 FEAARO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000072308743 541798171 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O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2F)cc1)N1CCOCC1 ZINC000008315157 204325884 /nfs/dbraw/zinc/32/58/84/204325884.db2.gz DPHKDAVJYRJUNG-UHFFFAOYSA-N 1 0 364.442 2.136 50 0 FEAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@H](C)COC)CC2)C1=O ZINC000014747507 204586715 /nfs/dbraw/zinc/58/67/15/204586715.db2.gz PHQZWRFVZXXYKS-QGZVFWFLSA-N 1 0 373.497 2.383 50 0 FEAARO CCn1c2ccccc2n(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1=O ZINC000025331583 204835493 /nfs/dbraw/zinc/83/54/93/204835493.db2.gz UOPYRAICBLZDJM-QGZVFWFLSA-N 1 0 372.494 2.304 50 0 FEAARO Nn1c(=O)c2c(nc1SCC[NH+]1CCCC1)sc1c2CCCC1 ZINC000036646169 205019638 /nfs/dbraw/zinc/01/96/38/205019638.db2.gz JOMNZWZGNKRXAE-UHFFFAOYSA-N 1 0 350.513 2.239 50 0 FEAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1 ZINC000040091409 205054775 /nfs/dbraw/zinc/05/47/75/205054775.db2.gz DXZHCRDPTLZNMY-LPHOPBHVSA-N 1 0 374.460 2.043 50 0 FEAARO C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000040091339 205054814 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FEAARO O=C(CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)Nc1ccccn1 ZINC000057171028 205235093 /nfs/dbraw/zinc/23/50/93/205235093.db2.gz ZDOXVNQORNAFAF-QGZVFWFLSA-N 1 0 352.438 2.191 50 0 FEAARO NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000058171215 205254265 /nfs/dbraw/zinc/25/42/65/205254265.db2.gz INUXMJLKZPJCSX-CYBMUJFWSA-N 1 0 354.248 2.041 50 0 FEAARO CC(C)[C@@H](C(=O)NCc1ccc(-n2cccn2)nc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000058203366 205259554 /nfs/dbraw/zinc/25/95/54/205259554.db2.gz ZBTVJBVJVKUMMH-MDZRGWNJSA-N 1 0 371.485 2.017 50 0 FEAARO COc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC000058210386 205262105 /nfs/dbraw/zinc/26/21/05/205262105.db2.gz HAJDQSOMGWCZLP-DLBZAZTESA-N 1 0 373.497 2.285 50 0 FEAARO O=C(CN1CSCC1=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000058213879 205262533 /nfs/dbraw/zinc/26/25/33/205262533.db2.gz BEKOQGDKQVEDFU-UHFFFAOYSA-N 1 0 361.511 2.212 50 0 FEAARO C[NH+](C)CCn1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cn1 ZINC000058268128 205269293 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CCn1c(CC2CC[NH+](Cc3cnc(-c4ccco4)nc3)CC2)n[nH]c1=O ZINC000065370749 205339347 /nfs/dbraw/zinc/33/93/47/205339347.db2.gz WXKSIEHIYRIHCR-UHFFFAOYSA-N 1 0 368.441 2.096 50 0 FEAARO Cc1c(CN2CCC[C@@H]2C(F)(F)F)cnn1CC[N@@H+]1CCCOCC1 ZINC000065372615 205341464 /nfs/dbraw/zinc/34/14/64/205341464.db2.gz DTQJUZVZRXZMFF-MRXNPFEDSA-N 1 0 360.424 2.441 50 0 FEAARO Cc1nn(C)c(Cl)c1[C@@H]1CC(=O)Nc2c1cnn2C1CC[NH+](C)CC1 ZINC000065382646 205342726 /nfs/dbraw/zinc/34/27/26/205342726.db2.gz AHUCVAQLGQETNM-GFCCVEGCSA-N 1 0 362.865 2.319 50 0 FEAARO O=c1n(C[C@@H]2CCCCO2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065384698 205342954 /nfs/dbraw/zinc/34/29/54/205342954.db2.gz ZITMAYMJIDPGBJ-SFHVURJKSA-N 1 0 356.470 2.145 50 0 FEAARO CC(C)C[C@@H](NC(=O)C1Cc2ccccc2C1)c1nnc2n1CC[NH2+]CC2 ZINC000067514965 205374829 /nfs/dbraw/zinc/37/48/29/205374829.db2.gz KNRQVJFPZOUPHB-GOSISDBHSA-N 1 0 367.497 2.042 50 0 FEAARO CN1CCC2(CC1)CN(C(=O)Cc1c[nH]c3ccccc13)CCC[N@@H+]2C ZINC000067541744 205374991 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O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]CCc1ccco1 ZINC000067742608 205387335 /nfs/dbraw/zinc/38/73/35/205387335.db2.gz RQYUOQZXDKEUDC-LJQANCHMSA-N 1 0 364.392 2.244 50 0 FEAARO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2cc3c(cc2C)OCCO3)C1 ZINC000067756905 205388765 /nfs/dbraw/zinc/38/87/65/205388765.db2.gz WMEWXVGVJQFGOM-AWEZNQCLSA-N 1 0 358.442 2.051 50 0 FEAARO CCn1cncc1CN1C(=O)N[C@@](CCC(C)C)(C2CC[NH2+]CC2)C1=O ZINC000067755485 205389780 /nfs/dbraw/zinc/38/97/80/205389780.db2.gz KEPUMHGLKGFNCB-IBGZPJMESA-N 1 0 361.490 2.129 50 0 FEAARO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)[nH]n1 ZINC000067833393 205394346 /nfs/dbraw/zinc/39/43/46/205394346.db2.gz MCHIINGIQCYLNT-SFHVURJKSA-N 1 0 367.497 2.453 50 0 FEAARO Cc1nc(C(C)C)sc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067818866 205394425 /nfs/dbraw/zinc/39/44/25/205394425.db2.gz NNYLHHYMYFNRRY-ZDUSSCGKSA-N 1 0 362.503 2.096 50 0 FEAARO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)[nH]n1 ZINC000067833392 205394816 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2.315 50 0 FEAARO Cc1nc(N)ncc1C(=O)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000216088834 206354862 /nfs/dbraw/zinc/35/48/62/206354862.db2.gz PTAUAZOAXYCPQP-SJORKVTESA-N 1 0 351.454 2.104 50 0 FEAARO COc1ccc([C@H](NC(=O)C[NH+]2CCCCCCC2)C2CC(O)C2)cn1 ZINC000223875495 206450211 /nfs/dbraw/zinc/45/02/11/206450211.db2.gz MHUBHYZRCGQKPX-UHYCVJNDSA-N 1 0 361.486 2.285 50 0 FEAARO COC(=O)CCCN1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000075105390 542152693 /nfs/dbraw/zinc/15/26/93/542152693.db2.gz AAYSGKALZLNWRT-UHFFFAOYSA-N 1 0 367.877 2.239 50 0 FEAARO COc1ccc(OC2CCN(C(=O)C[C@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000077288086 542362863 /nfs/dbraw/zinc/36/28/63/542362863.db2.gz NKDQATRBQFERKQ-INIZCTEOSA-N 1 0 362.470 2.176 50 0 FEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cccc(-n2cnnc2)c1 ZINC000077287711 542362705 /nfs/dbraw/zinc/36/27/05/542362705.db2.gz UMPFEKDQKOURHR-FQEVSTJZSA-N 1 0 361.449 2.396 50 0 FEAARO Cc1nnc(CCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)[nH]1 ZINC000077341322 542369111 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O=C(CCn1ccccc1=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000082109517 542684551 /nfs/dbraw/zinc/68/45/51/542684551.db2.gz LDSKJNBGMNVCMK-UHFFFAOYSA-N 1 0 369.509 2.351 50 0 FEAARO CSCCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082127643 542685608 /nfs/dbraw/zinc/68/56/08/542685608.db2.gz BKBDYZCBQNGZMX-SFHVURJKSA-N 1 0 350.532 2.410 50 0 FEAARO O=C(NCC[NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccccc1Cl ZINC000082137835 542685868 /nfs/dbraw/zinc/68/58/68/542685868.db2.gz AVLFJZOGSZORNL-CQSZACIVSA-N 1 0 352.862 2.388 50 0 FEAARO C[NH+](C)CCN1C[C@@]2(CCCN(C(=O)CCC(F)(F)F)C2)CCC1=O ZINC000082161721 542686476 /nfs/dbraw/zinc/68/64/76/542686476.db2.gz LDVCVNJKFOHJSH-INIZCTEOSA-N 1 0 363.424 2.122 50 0 FEAARO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)cc2)CC1 ZINC000078714534 132191302 /nfs/dbraw/zinc/19/13/02/132191302.db2.gz OSZNWRNYFUUKQB-SFHVURJKSA-N 1 0 361.486 2.146 50 0 FEAARO C[NH2+]CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000091350866 132201044 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FEAARO OC[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000091596010 542815206 /nfs/dbraw/zinc/81/52/06/542815206.db2.gz MWRIECFFHHTXEC-IAGOWNOFSA-N 1 0 372.431 2.468 50 0 FEAARO CC(C)[C@@H]1CN(S(=O)(=O)CCOc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000091649677 542818045 /nfs/dbraw/zinc/81/80/45/542818045.db2.gz JNAGIXGQVCOXCB-DLBZAZTESA-N 1 0 358.479 2.052 50 0 FEAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN(C)C(N)=O)CC2)C1 ZINC000091644434 542818051 /nfs/dbraw/zinc/81/80/51/542818051.db2.gz FVSOGCMKANCWAV-SFHVURJKSA-N 1 0 372.513 2.115 50 0 FEAARO CCN(C)C(=O)C[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000091829410 542827180 /nfs/dbraw/zinc/82/71/80/542827180.db2.gz UEGUBEGYAUUKLA-JXMROGBWSA-N 1 0 369.509 2.493 50 0 FEAARO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2ncnn21 ZINC000091848994 542828077 /nfs/dbraw/zinc/82/80/77/542828077.db2.gz QARDNMWDIZWDGO-MRXNPFEDSA-N 1 0 364.453 2.252 50 0 FEAARO CCN1CC[C@@]2(CN(Cc3cc(C(C)(C)C)n[nH]3)CC[N@@H+]2C)CCC1=O ZINC000091860833 542829136 /nfs/dbraw/zinc/82/91/36/542829136.db2.gz YAHMFUSFWNVRJZ-HXUWFJFHSA-N 1 0 361.534 2.226 50 0 FEAARO CC(C)N1CCC[C@@]2(CC[N@H+](CCCOc3ccc(C(N)=O)cc3)C2)C1=O ZINC000091849356 542829278 /nfs/dbraw/zinc/82/92/78/542829278.db2.gz JMKMDZNOJKWYNB-NRFANRHFSA-N 1 0 373.497 2.277 50 0 FEAARO CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000091942989 542833390 /nfs/dbraw/zinc/83/33/90/542833390.db2.gz VHDIBCKEWPCFTK-OAHLLOKOSA-N 1 0 350.459 2.182 50 0 FEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2CCCOc2ccc(F)cc2)C1 ZINC000091973796 542834684 /nfs/dbraw/zinc/83/46/84/542834684.db2.gz CAPXFJYZEWTVCB-FUHWJXTLSA-N 1 0 363.477 2.079 50 0 FEAARO CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)o1 ZINC000091966095 542834917 /nfs/dbraw/zinc/83/49/17/542834917.db2.gz HICAGTYJBLFUBL-HXUWFJFHSA-N 1 0 359.470 2.206 50 0 FEAARO CN1C[C@]2(CCC[N@H+](Cc3cc(=O)c4cccc(F)c4[nH]3)CC2)OC1=O ZINC000092002268 542835849 /nfs/dbraw/zinc/83/58/49/542835849.db2.gz MBVHJGHWBYGRFZ-LJQANCHMSA-N 1 0 359.401 2.474 50 0 FEAARO Cc1cc(C)nc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)n1 ZINC000092028835 542839334 /nfs/dbraw/zinc/83/93/34/542839334.db2.gz KYPDSSHOQVVIRX-FQEVSTJZSA-N 1 0 358.486 2.087 50 0 FEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1ccc(-c3cc[nH]n3)o1)C2 ZINC000092038562 542840008 /nfs/dbraw/zinc/84/00/08/542840008.db2.gz IIRVLJGUZWJNPT-ZIAGYGMSSA-N 1 0 364.471 2.165 50 0 FEAARO COc1ccc([C@@H]([NH3+])CC(=O)N(C)Cc2noc(C(C)C)n2)cc1OC ZINC000092038059 542840356 /nfs/dbraw/zinc/84/03/56/542840356.db2.gz XXYBVEYBOPIWHO-ZDUSSCGKSA-N 1 0 362.430 2.259 50 0 FEAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)[C@@H](C)n3ccnc3)CC2)c1 ZINC000052899844 136124606 /nfs/dbraw/zinc/12/46/06/136124606.db2.gz DRRLXINHDYGMJG-RBUKOAKNSA-N 1 0 369.513 2.470 50 0 FEAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2ncccn2)CC1 ZINC000058148420 136130451 /nfs/dbraw/zinc/13/04/51/136130451.db2.gz PJLJGUPLEMXCHI-GOSISDBHSA-N 1 0 359.518 2.464 50 0 FEAARO O=C(NCc1ccc2nsnc2c1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095368000 542962047 /nfs/dbraw/zinc/96/20/47/542962047.db2.gz SOTIZZSAMFWTDD-CQSZACIVSA-N 1 0 360.483 2.199 50 0 FEAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)nc1 ZINC000095372252 542962757 /nfs/dbraw/zinc/96/27/57/542962757.db2.gz DBYDNNNCOUVNPI-QGZVFWFLSA-N 1 0 365.485 2.397 50 0 FEAARO O[C@]12CCCC[C@H]1CN(c1nc(-c3cccnc3)nc3c1CC[NH2+]C3)CC2 ZINC000071762777 136140862 /nfs/dbraw/zinc/14/08/62/136140862.db2.gz GWRBJYBANKGEIJ-KKSFZXQISA-N 1 0 365.481 2.316 50 0 FEAARO Cc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071770817 136140911 /nfs/dbraw/zinc/14/09/11/136140911.db2.gz MURHHFQMJICBSD-KRWDZBQOSA-N 1 0 357.502 2.088 50 0 FEAARO Cc1nc(C)c(C)c(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC000072447232 136148129 /nfs/dbraw/zinc/14/81/29/136148129.db2.gz ROUPWKSGABQZJP-HXUWFJFHSA-N 1 0 359.518 2.172 50 0 FEAARO CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095351218 542957599 /nfs/dbraw/zinc/95/75/99/542957599.db2.gz UNXAYSLWNXFQQD-QWHCGFSZSA-N 1 0 359.396 2.214 50 0 FEAARO COCCN(C)CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000095353202 542957702 /nfs/dbraw/zinc/95/77/02/542957702.db2.gz GXGICASDMZIBKU-FQEVSTJZSA-N 1 0 373.541 2.293 50 0 FEAARO COc1ccccc1CC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095362859 542960061 /nfs/dbraw/zinc/96/00/61/542960061.db2.gz IMAZQEIIHDGFPA-GOSISDBHSA-N 1 0 370.497 2.402 50 0 FEAARO O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095389148 542967436 /nfs/dbraw/zinc/96/74/36/542967436.db2.gz GMTPMGHYVQZFIU-HNNXBMFYSA-N 1 0 368.481 2.236 50 0 FEAARO CC[N@H+](CCC1CCN(C(=O)N[C@H](C)c2nncn2C)CC1)CC1CC1 ZINC000095457477 542971158 /nfs/dbraw/zinc/97/11/58/542971158.db2.gz LKUGOHPVWPTXCT-OAHLLOKOSA-N 1 0 362.522 2.420 50 0 FEAARO C[NH+]1CCC(Cc2nc(CN3CCOC3=O)n(-c3ccccc3F)n2)CC1 ZINC000095496737 542973144 /nfs/dbraw/zinc/97/31/44/542973144.db2.gz WUFLLIKVAYIDFF-UHFFFAOYSA-N 1 0 373.432 2.243 50 0 FEAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)C1 ZINC000095497388 542973962 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358.404 2.411 50 0 FEAARO Cc1nn(C)c2nc(N3CCCC[C@H]3CCN3CC[NH+](C)CC3)sc12 ZINC000096131654 542992923 /nfs/dbraw/zinc/99/29/23/542992923.db2.gz FRJLYCLZLZCDFS-HNNXBMFYSA-N 1 0 362.547 2.335 50 0 FEAARO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000096139952 542993856 /nfs/dbraw/zinc/99/38/56/542993856.db2.gz KHOUBCFHZVQGPW-LBPRGKRZSA-N 1 0 362.861 2.057 50 0 FEAARO Cn1cc(SCC(=O)N2CCN(C)C3(CC[NH2+]CC3)C2)c2ccccc21 ZINC000096180850 542995231 /nfs/dbraw/zinc/99/52/31/542995231.db2.gz PNQBNUJTKWQTHF-UHFFFAOYSA-N 1 0 372.538 2.167 50 0 FEAARO CC(C)c1nnsc1CNC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000097307524 543009377 /nfs/dbraw/zinc/00/93/77/543009377.db2.gz ZTABXOGZVPJJHL-UHFFFAOYSA-N 1 0 352.504 2.169 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000097301234 543009420 /nfs/dbraw/zinc/00/94/20/543009420.db2.gz HRABUNQHUKFUMI-GOSISDBHSA-N 1 0 365.481 2.406 50 0 FEAARO COCCn1cc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1=O ZINC000097086849 543003964 /nfs/dbraw/zinc/00/39/64/543003964.db2.gz LTFBFTGCLFXWIU-UHFFFAOYSA-N 1 0 355.482 2.121 50 0 FEAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(C(=O)[C@H]3CCOC3)CC1)CC2 ZINC000097551254 543012717 /nfs/dbraw/zinc/01/27/17/543012717.db2.gz ZCLQUGFSKBIBBC-INIZCTEOSA-N 1 0 374.481 2.089 50 0 FEAARO CSCCc1nc(C[C@@H]2COCC[NH2+]2)n(-c2ccc3c(c2)CCC3)n1 ZINC000097655465 543014716 /nfs/dbraw/zinc/01/47/16/543014716.db2.gz KDQXMYFPVQTFDT-MRXNPFEDSA-N 1 0 358.511 2.192 50 0 FEAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000100619755 543025570 /nfs/dbraw/zinc/02/55/70/543025570.db2.gz DEMMFMMFDZDBPS-KRWDZBQOSA-N 1 0 355.369 2.206 50 0 FEAARO O=c1cc(C[NH+]2CCCCCC2)nc2[nH]c(NCc3cccs3)nn21 ZINC000101797077 543046088 /nfs/dbraw/zinc/04/60/88/543046088.db2.gz IYLGSHXCJDYZQJ-UHFFFAOYSA-N 1 0 358.471 2.467 50 0 FEAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCC[C@H]2[C@H]1N1CCOCC1 ZINC000103943493 543119335 /nfs/dbraw/zinc/11/93/35/543119335.db2.gz DDVCADSEIQHMPX-LDQXTDLNSA-N 1 0 368.481 2.208 50 0 FEAARO CCOc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)ccc1OCC(F)(F)F ZINC000105471071 543174524 /nfs/dbraw/zinc/17/45/24/543174524.db2.gz LVACRRFXKQMCPJ-CQSZACIVSA-N 1 0 362.392 2.447 50 0 FEAARO CC(=O)N(C)C1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000133800134 544283568 /nfs/dbraw/zinc/28/35/68/544283568.db2.gz BLAYPBLVAOULIG-UHFFFAOYSA-N 1 0 364.465 2.040 50 0 FEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000409414067 263557648 /nfs/dbraw/zinc/55/76/48/263557648.db2.gz NCKNIIOBZSZSPS-MAUKXSAKSA-N 1 0 360.502 2.252 50 0 FEAARO CCOc1ccc(C(C)(C)NC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1 ZINC000426698505 263659928 /nfs/dbraw/zinc/65/99/28/263659928.db2.gz WFMIUMZASOHDHX-HXUWFJFHSA-N 1 0 363.502 2.419 50 0 FEAARO CC[C@H](CO)[NH+]1CCN(Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000157010534 326851390 /nfs/dbraw/zinc/85/13/90/326851390.db2.gz LSXCXAGRLUJJEL-QGZVFWFLSA-N 1 0 374.485 2.154 50 0 FEAARO CC(C)C[N@@H+]1CCN(Cc2cnc(N3CCCC3)s2)C[C@@H]1CCO ZINC000020783351 519726837 /nfs/dbraw/zinc/72/68/37/519726837.db2.gz CZKVMCYFGLZWJA-INIZCTEOSA-N 1 0 352.548 2.268 50 0 FEAARO CCOCCn1nc(C)cc1C(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000082091581 520071619 /nfs/dbraw/zinc/07/16/19/520071619.db2.gz BFQQRNDRBNCIQU-LJQANCHMSA-N 1 0 370.497 2.357 50 0 FEAARO CCN(CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(OC)c(F)c1 ZINC000020954006 520328986 /nfs/dbraw/zinc/32/89/86/520328986.db2.gz DVYZXQPIYOPXPH-UHFFFAOYSA-N 1 0 351.466 2.257 50 0 FEAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000020271887 520961586 /nfs/dbraw/zinc/96/15/86/520961586.db2.gz PMULQBQQKUIPGX-IBGZPJMESA-N 1 0 373.497 2.360 50 0 FEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(F)cc3)C2=O)cc1 ZINC000085385547 521482011 /nfs/dbraw/zinc/48/20/11/521482011.db2.gz SFSLLQOQJTZMGD-QGZVFWFLSA-N 1 0 370.380 2.424 50 0 FEAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000019872238 522462226 /nfs/dbraw/zinc/46/22/26/522462226.db2.gz NGLCHEPALNJYFG-HNNXBMFYSA-N 1 0 364.829 2.036 50 0 FEAARO COc1cc2[nH]c(=O)c(CN3CC[N@@H+]4CCC[C@H]4C3)cc2c(OC)c1OC ZINC000240825175 523067336 /nfs/dbraw/zinc/06/73/36/523067336.db2.gz QNSRMSVKQILZJJ-AWEZNQCLSA-N 1 0 373.453 2.246 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)cc1Cn1cccn1 ZINC000020202239 524028009 /nfs/dbraw/zinc/02/80/09/524028009.db2.gz JMMVARYTBCUHLM-HXUWFJFHSA-N 1 0 370.497 2.237 50 0 FEAARO COc1ccccc1C(C)(C)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000079064305 524367870 /nfs/dbraw/zinc/36/78/70/524367870.db2.gz GFHGNBVXSNMOJY-UHFFFAOYSA-N 1 0 355.486 2.262 50 0 FEAARO C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)C[C@H](C)[NH2+]1 ZINC000153287129 524855175 /nfs/dbraw/zinc/85/51/75/524855175.db2.gz SYISBCWLCKHYMY-DTORHVGOSA-N 1 0 365.282 2.219 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)COc2ccc3c(c2)OCO3)CC1 ZINC000091492952 526237117 /nfs/dbraw/zinc/23/71/17/526237117.db2.gz RTXUMNFGVLSHLH-UHFFFAOYSA-N 1 0 369.421 2.236 50 0 FEAARO NC(=O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1 ZINC000091656103 526857716 /nfs/dbraw/zinc/85/77/16/526857716.db2.gz FCRIFASFZDKZKJ-LJQANCHMSA-N 1 0 357.498 2.274 50 0 FEAARO O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091616710 527237394 /nfs/dbraw/zinc/23/73/94/527237394.db2.gz GHLPFFUPNKPSAW-HZPDHXFCSA-N 1 0 366.889 2.141 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)C1 ZINC000091365119 527368982 /nfs/dbraw/zinc/36/89/82/527368982.db2.gz BNNPIUOYSZVJQJ-ZWKOTPCHSA-N 1 0 353.470 2.160 50 0 FEAARO OCCc1cn(C2CC[NH+](C3CCN(c4ccc(F)cc4)CC3)CC2)nn1 ZINC000020453256 527575277 /nfs/dbraw/zinc/57/52/77/527575277.db2.gz WETYCPHFNSUALU-UHFFFAOYSA-N 1 0 373.476 2.258 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@H+](C)[C@H](CC)C3)nc2)on1 ZINC000039371850 535396614 /nfs/dbraw/zinc/39/66/14/535396614.db2.gz AEKDLWRTXPJNGP-QGZVFWFLSA-N 1 0 371.485 2.483 50 0 FEAARO CCCc1cnc(C)nc1N1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091587488 535436357 /nfs/dbraw/zinc/43/63/57/535436357.db2.gz NENMGNFCTJYOES-FQEVSTJZSA-N 1 0 362.518 2.037 50 0 FEAARO C[N@H+](Cc1[nH]nc2c1CCCC2)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095500771 536485854 /nfs/dbraw/zinc/48/58/54/536485854.db2.gz LIHRKGQPMXSAFM-UHFFFAOYSA-N 1 0 366.473 2.056 50 0 FEAARO O=C(NC[C@H]1COC2(CCCCCC2)O1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000170592323 546162281 /nfs/dbraw/zinc/16/22/81/546162281.db2.gz IJFFBLWFVWDCFG-ZWKOTPCHSA-N 1 0 366.502 2.212 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)c2cccnc2N2CCOCC2)[C@@H]1c1ccccc1 ZINC000180115526 547054705 /nfs/dbraw/zinc/05/47/05/547054705.db2.gz JMUQTLGADWJLRJ-OALUTQOASA-N 1 0 366.465 2.093 50 0 FEAARO C[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCCC1 ZINC000220463947 548701148 /nfs/dbraw/zinc/70/11/48/548701148.db2.gz FOOMRYZXCPMZPP-IAYYMHMVSA-N 1 0 358.482 2.424 50 0 FEAARO CCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)C1 ZINC000221407549 548705515 /nfs/dbraw/zinc/70/55/15/548705515.db2.gz MFUKEOQGYXLQQK-GOSISDBHSA-N 1 0 373.497 2.148 50 0 FEAARO C[N@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)[C@H]1CCSC1 ZINC000225513614 548736341 /nfs/dbraw/zinc/73/63/41/548736341.db2.gz CGLHDJHJSHPZNR-GJZGRUSLSA-N 1 0 371.547 2.187 50 0 FEAARO CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)[C@@H](c2ccccc2)C1 ZINC000229501853 548755833 /nfs/dbraw/zinc/75/58/33/548755833.db2.gz ILZLKWAWVHJMHX-PKOBYXMFSA-N 1 0 367.449 2.143 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C1 ZINC000237509894 548831633 /nfs/dbraw/zinc/83/16/33/548831633.db2.gz XEURJADQYVUKDV-NWDGAFQWSA-N 1 0 367.375 2.486 50 0 FEAARO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3nnc(C4CC4)s3)C2)[nH]1 ZINC000244601879 548890283 /nfs/dbraw/zinc/89/02/83/548890283.db2.gz DTJGGNXTDIJQTI-LBPRGKRZSA-N 1 0 361.475 2.050 50 0 FEAARO COc1ccc(C2(CNC(=O)CN3CC[C@@H]([NH+](C)C)C3)CCCC2)cc1 ZINC000244633563 548891308 /nfs/dbraw/zinc/89/13/08/548891308.db2.gz GFAPBFGSQORETD-GOSISDBHSA-N 1 0 359.514 2.259 50 0 FEAARO Cc1nn(C)c(C)c1CN(CC(=O)NCCc1ccc(F)cc1)C1CC1 ZINC000244708351 548893060 /nfs/dbraw/zinc/89/30/60/548893060.db2.gz KSBFNOJALRUIHH-UHFFFAOYSA-N 1 0 358.461 2.499 50 0 FEAARO CN(Cc1noc2c1CCCC2)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000244811442 548895894 /nfs/dbraw/zinc/89/58/94/548895894.db2.gz SCSLDUMRGVORFN-JOCQHMNTSA-N 1 0 356.474 2.317 50 0 FEAARO O=C(CC[NH+]1CCCCC1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244828522 548896274 /nfs/dbraw/zinc/89/62/74/548896274.db2.gz TXSXQJBRYFBVOS-UEXGIBASSA-N 1 0 358.482 2.426 50 0 FEAARO CCC1=NO[C@@H](C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)C1 ZINC000244795952 548896414 /nfs/dbraw/zinc/89/64/14/548896414.db2.gz RQGLQISTKUAHCB-GOSISDBHSA-N 1 0 353.470 2.476 50 0 FEAARO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N[C@@H]1CCOc2ccccc21 ZINC000246064391 549044387 /nfs/dbraw/zinc/04/43/87/549044387.db2.gz ASVUNIVSSXAIDK-FUHWJXTLSA-N 1 0 366.465 2.455 50 0 FEAARO O=C(C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)N[C@H]1CCOc2ccccc21 ZINC000246064401 549044501 /nfs/dbraw/zinc/04/45/01/549044501.db2.gz ASVUNIVSSXAIDK-WMZOPIPTSA-N 1 0 366.465 2.455 50 0 FEAARO OCCOCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000247746998 549376796 /nfs/dbraw/zinc/37/67/96/549376796.db2.gz RWJDBCFVLKLZLY-UHFFFAOYSA-N 1 0 352.438 2.092 50 0 FEAARO C[N@@H+]1CCN2CCN(C(=O)c3ccccc3OCc3ccccc3)C[C@H]2C1 ZINC000252502187 549671134 /nfs/dbraw/zinc/67/11/34/549671134.db2.gz UNEQXGSGDFBXJW-LJQANCHMSA-N 1 0 365.477 2.337 50 0 FEAARO O=C(c1cnccn1)N1CCC([NH2+][C@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 ZINC000252539164 549674043 /nfs/dbraw/zinc/67/40/43/549674043.db2.gz NUURSMFAGNVMLD-JOQOYGCGSA-N 1 0 372.494 2.245 50 0 FEAARO Cc1nc(C)c(CC(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)c(=O)[nH]1 ZINC000253536329 549691868 /nfs/dbraw/zinc/69/18/68/549691868.db2.gz DCBBLAIJEXKUGH-GOSISDBHSA-N 1 0 372.444 2.434 50 0 FEAARO CS(=O)(=O)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257183860 549713613 /nfs/dbraw/zinc/71/36/13/549713613.db2.gz SMSIPGOENVAFTR-KRWDZBQOSA-N 1 0 356.532 2.224 50 0 FEAARO C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+](C2CC2)C1 ZINC000297686826 553324997 /nfs/dbraw/zinc/32/49/97/553324997.db2.gz XKLCEZVQCIAUGG-KVSKMBFKSA-N 1 0 358.486 2.427 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000299759621 553611098 /nfs/dbraw/zinc/61/10/98/553611098.db2.gz NPRVSWKXXPDIEC-HOTGVXAUSA-N 1 0 356.426 2.063 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1 ZINC000299760405 553612026 /nfs/dbraw/zinc/61/20/26/553612026.db2.gz JTXJJQWPCFGLMN-HNNXBMFYSA-N 1 0 355.438 2.104 50 0 FEAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)Nc3cccn4cnnc34)O2)CC1 ZINC000299768596 553612280 /nfs/dbraw/zinc/61/22/80/553612280.db2.gz KAWNZLVLLKVGAU-OAHLLOKOSA-N 1 0 372.473 2.273 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cn4cc(C)ccc4n3)[C@H]1C[C@@H](OCCO)CC2 ZINC000299772488 553613236 /nfs/dbraw/zinc/61/32/36/553613236.db2.gz ZGNXASAQPREBMC-CMKODMSKSA-N 1 0 359.470 2.164 50 0 FEAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH2+]CC2)N1CCc1ccccc1 ZINC000299776332 553613596 /nfs/dbraw/zinc/61/35/96/553613596.db2.gz ATCGEVSCLPWMBK-UHFFFAOYSA-N 1 0 364.449 2.211 50 0 FEAARO C[NH+]1CCC(CNC(=O)COC[C@H]2CCCCO2)(c2ccccc2)CC1 ZINC000299779670 553613632 /nfs/dbraw/zinc/61/36/32/553613632.db2.gz AKJABOATLHPPLU-LJQANCHMSA-N 1 0 360.498 2.352 50 0 FEAARO Cc1ccc(C(=O)N2CCC[C@@H](CN3CCCC3=O)C2)cc1OCCC[NH3+] ZINC000299781666 553613999 /nfs/dbraw/zinc/61/39/99/553613999.db2.gz DZOFXLUDXZOXAK-KRWDZBQOSA-N 1 0 373.497 2.197 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)NCc2ccc3c(c2)CCO3)c1 ZINC000299782926 553614318 /nfs/dbraw/zinc/61/43/18/553614318.db2.gz GSQLRMFEZDDFOJ-UHFFFAOYSA-N 1 0 356.422 2.288 50 0 FEAARO C[NH+]1CCC(CNC(=O)CNC(=O)c2ccccc2)(c2ccccc2)CC1 ZINC000299787133 553614421 /nfs/dbraw/zinc/61/44/21/553614421.db2.gz ZEJFGKLVMTWZDK-UHFFFAOYSA-N 1 0 365.477 2.196 50 0 FEAARO COc1cccc(C(=O)N2CCC(c3cc[nH]n3)CC2)c1OCCC[NH3+] ZINC000299786484 553614667 /nfs/dbraw/zinc/61/46/67/553614667.db2.gz MDXWDCXRNYHMJT-UHFFFAOYSA-N 1 0 358.442 2.166 50 0 FEAARO CC1(c2ccccc2)CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000333239465 554593114 /nfs/dbraw/zinc/59/31/14/554593114.db2.gz AOUFAFRBRJMWJZ-KRWDZBQOSA-N 1 0 353.470 2.397 50 0 FEAARO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000518947161 562121628 /nfs/dbraw/zinc/12/16/28/562121628.db2.gz OHANMCTUMLCEAD-LSDHHAIUSA-N 1 0 366.870 2.383 50 0 FEAARO CC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2nc3cc(OC)ccc3[nH]2)C1 ZINC000426485999 559735611 /nfs/dbraw/zinc/73/56/11/559735611.db2.gz DPYATMRDLQIHOG-CQSZACIVSA-N 1 0 359.474 2.097 50 0 FEAARO CC(C)C(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426486057 559735626 /nfs/dbraw/zinc/73/56/26/559735626.db2.gz HNDZEWQFJFGTDQ-QFIPXVFZSA-N 1 0 371.525 2.316 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000426496638 559735907 /nfs/dbraw/zinc/73/59/07/559735907.db2.gz FGWWBJPUELIXMP-ZDUSSCGKSA-N 1 0 370.453 2.325 50 0 FEAARO [NH3+]CCOc1cccc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)c1 ZINC000426510591 559736384 /nfs/dbraw/zinc/73/63/84/559736384.db2.gz FUGPXAGSHOVDRB-IBGZPJMESA-N 1 0 350.422 2.392 50 0 FEAARO Cc1nc(CNC(=O)c2ccc(OCCC[NH3+])cc2)nc2c1CCCC2 ZINC000426578894 559738255 /nfs/dbraw/zinc/73/82/55/559738255.db2.gz XYQBJGIEGAOHJP-UHFFFAOYSA-N 1 0 354.454 2.321 50 0 FEAARO O=C(NC1(c2ccccc2)CC1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000426584931 559738368 /nfs/dbraw/zinc/73/83/68/559738368.db2.gz WBCNDVYZJUDQAI-IBGZPJMESA-N 1 0 354.498 2.097 50 0 FEAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1ccccc1CCc1ccccn1 ZINC000426628666 559739257 /nfs/dbraw/zinc/73/92/57/559739257.db2.gz AVTVZKCVUZMPRU-FQEVSTJZSA-N 1 0 354.454 2.103 50 0 FEAARO Cc1nnc(C2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)[nH]1 ZINC000426640380 559739390 /nfs/dbraw/zinc/73/93/90/559739390.db2.gz IULVNRVDXVVIHK-MRXNPFEDSA-N 1 0 372.473 2.432 50 0 FEAARO CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426662452 559739809 /nfs/dbraw/zinc/73/98/09/559739809.db2.gz QOHJEMRUCIJNPJ-CQSZACIVSA-N 1 0 373.526 2.344 50 0 FEAARO COc1cc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)ccc1OCC[NH3+] ZINC000426691344 559740430 /nfs/dbraw/zinc/74/04/30/559740430.db2.gz VBHWHWLMQYSICQ-OAQYLSRUSA-N 1 0 370.449 2.075 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000426693921 559740476 /nfs/dbraw/zinc/74/04/76/559740476.db2.gz XRSVMYTZGKIPFK-UHFFFAOYSA-N 1 0 371.485 2.331 50 0 FEAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4csc(C(N)=O)c4)cc3)C[C@H]12 ZINC000534589609 562537637 /nfs/dbraw/zinc/53/76/37/562537637.db2.gz ZIQATIFIRSPVJT-OSYLJGHBSA-N 1 0 369.490 2.394 50 0 FEAARO CN(C(=O)c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000534649209 562539171 /nfs/dbraw/zinc/53/91/71/562539171.db2.gz PPHPOECXLNMXAT-KRWDZBQOSA-N 1 0 364.449 2.498 50 0 FEAARO CN(C)c1cncc(-c2ccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc2)n1 ZINC000534653363 562539364 /nfs/dbraw/zinc/53/93/64/562539364.db2.gz BTFYVWDQIRUESN-GOSISDBHSA-N 1 0 351.454 2.034 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000123679781 568254399 /nfs/dbraw/zinc/25/43/99/568254399.db2.gz GSWMBNYWFHWZNM-VQIMIIECSA-N 1 0 372.513 2.481 50 0 FEAARO CCC[NH+]1CCC(NC(=O)c2ccc(-c3cnc4nncn4c3)cc2)CC1 ZINC000584903733 570567717 /nfs/dbraw/zinc/56/77/17/570567717.db2.gz JFMSVEXFXRAUGQ-UHFFFAOYSA-N 1 0 364.453 2.396 50 0 FEAARO O=S1(=O)CC[C@H](CCN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000670473433 571054950 /nfs/dbraw/zinc/05/49/50/571054950.db2.gz MAYJTOZZIRHFHP-ZZRKNQPCSA-N 1 0 366.571 2.254 50 0 FEAARO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccon1 ZINC000685940015 571099375 /nfs/dbraw/zinc/09/93/75/571099375.db2.gz LURDMOJJLANYAV-IETSOEAISA-N 1 0 350.369 2.459 50 0 FEAARO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc43)C2)[C@@H]1C(C)C ZINC000685941688 571102089 /nfs/dbraw/zinc/10/20/89/571102089.db2.gz FSUXYGXJTFXTPF-ZTRFORPCSA-N 1 0 356.470 2.163 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1Cn1cccn1 ZINC000426390007 571219126 /nfs/dbraw/zinc/21/91/26/571219126.db2.gz XOLIQZKOKSRNGV-HLAWJBBLSA-N 1 0 371.481 2.444 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2F)C[C@@H]1CCO ZINC000426407479 571221106 /nfs/dbraw/zinc/22/11/06/571221106.db2.gz DKHGIOVKNNUOSI-INIZCTEOSA-N 1 0 355.429 2.199 50 0 FEAARO CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2)cc1 ZINC000426410731 571221711 /nfs/dbraw/zinc/22/17/11/571221711.db2.gz QAWSHFFWISKNNG-KRWDZBQOSA-N 1 0 365.477 2.453 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccc(-n3cnnc3)nc2)cc1 ZINC000426445446 571226151 /nfs/dbraw/zinc/22/61/51/571226151.db2.gz FGYTXAMESWQXFB-UHFFFAOYSA-N 1 0 362.437 2.155 50 0 FEAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNc1cncc(C(=O)N2CCCC2)n1 ZINC000670443527 571349550 /nfs/dbraw/zinc/34/95/50/571349550.db2.gz MCQBUXGDDCSMBJ-QGZVFWFLSA-N 1 0 351.454 2.181 50 0 FEAARO CC(=O)NC[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000169788811 672322389 /nfs/dbraw/zinc/32/23/89/672322389.db2.gz RDIJZBVUKMRPLA-CZUORRHYSA-N 1 0 355.841 2.008 50 0 FEAARO CC(C)Cc1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)[nH]c(=O)n1 ZINC000952966760 681792681 /nfs/dbraw/zinc/79/26/81/681792681.db2.gz WXXIKMTYJSVDLS-UHFFFAOYSA-N 1 0 364.515 2.034 50 0 FEAARO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1Cl ZINC000952963239 681792715 /nfs/dbraw/zinc/79/27/15/681792715.db2.gz JGZXXTBQFVYIDI-AWEZNQCLSA-N 1 0 360.907 2.380 50 0 FEAARO O=C(CCN1CCOCC1)OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000000848764 539334910 /nfs/dbraw/zinc/33/49/10/539334910.db2.gz FLPWWDUXBVQDEG-WCRBZPEASA-N 1 0 372.509 2.490 50 0 FEAARO c1cc(C[NH+]2CCN(c3ccccc3)CC2)n(CCN2CCOCC2)c1 ZINC000004677170 539390393 /nfs/dbraw/zinc/39/03/93/539390393.db2.gz SLXBZGMDEGKALE-UHFFFAOYSA-N 1 0 354.498 2.143 50 0 FEAARO CCOC(=O)c1cccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)c1 ZINC000005062118 539401112 /nfs/dbraw/zinc/40/11/12/539401112.db2.gz RCMNOQGRUMVCPF-UHFFFAOYSA-N 1 0 369.303 2.424 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2cc(C)ccc2NC1=O ZINC000005348482 539409485 /nfs/dbraw/zinc/40/94/85/539409485.db2.gz VCHIEKONPXTXBN-OGPXJPENSA-N 1 0 367.449 2.020 50 0 FEAARO Cc1cccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000011818599 539535678 /nfs/dbraw/zinc/53/56/78/539535678.db2.gz BKXSVCRFLJUBLV-HXUWFJFHSA-N 1 0 357.429 2.172 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000011840420 539536248 /nfs/dbraw/zinc/53/62/48/539536248.db2.gz GSERRMRPGOZPRF-INIZCTEOSA-N 1 0 373.472 2.421 50 0 FEAARO Cc1c[nH]c(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000011936265 539539676 /nfs/dbraw/zinc/53/96/76/539539676.db2.gz QEGVZSZMIUJPQT-GOSISDBHSA-N 1 0 353.470 2.487 50 0 FEAARO COc1ccc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc1O ZINC000012056207 539541530 /nfs/dbraw/zinc/54/15/30/539541530.db2.gz YWQQMIAJAOEPKG-UHFFFAOYSA-N 1 0 362.470 2.252 50 0 FEAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000012030358 539541063 /nfs/dbraw/zinc/54/10/63/539541063.db2.gz LHDDQZSHGPYYFZ-CQSZACIVSA-N 1 0 359.449 2.309 50 0 FEAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)o1 ZINC000012227643 539551526 /nfs/dbraw/zinc/55/15/26/539551526.db2.gz FYGXDKJJVGCJEJ-QGZVFWFLSA-N 1 0 373.497 2.317 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)c1 ZINC000012584415 539566959 /nfs/dbraw/zinc/56/69/59/539566959.db2.gz YXVXBNRIYFALHM-KRWDZBQOSA-N 1 0 369.465 2.395 50 0 FEAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000012749396 539571842 /nfs/dbraw/zinc/57/18/42/539571842.db2.gz PGBUJRDOMXYDBI-HNNXBMFYSA-N 1 0 374.481 2.467 50 0 FEAARO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000014086234 539594235 /nfs/dbraw/zinc/59/42/35/539594235.db2.gz CYBLQKAJJGAVSR-ZNMIVQPWSA-N 1 0 367.515 2.242 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N(C)[C@H]3CC[N@H+](C)C3)nc2)n1 ZINC000015063863 539610355 /nfs/dbraw/zinc/61/03/55/539610355.db2.gz NNIHFMRBTUMWQQ-HNNXBMFYSA-N 1 0 359.499 2.171 50 0 FEAARO COc1ccc2c(c1)C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)CO2 ZINC000015786255 539623536 /nfs/dbraw/zinc/62/35/36/539623536.db2.gz BLCUHNMIUONRCQ-GOSISDBHSA-N 1 0 354.450 2.495 50 0 FEAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000015855995 539624160 /nfs/dbraw/zinc/62/41/60/539624160.db2.gz IOPHLGBTTURHPX-UHFFFAOYSA-N 1 0 353.422 2.339 50 0 FEAARO COc1cn(CC(=O)NC2CCCC2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017245932 539640684 /nfs/dbraw/zinc/64/06/84/539640684.db2.gz ALNFTXWSPSEAMO-UHFFFAOYSA-N 1 0 361.486 2.148 50 0 FEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c(OC)c1OC ZINC000019300413 539655066 /nfs/dbraw/zinc/65/50/66/539655066.db2.gz DSUYYOJNVCANKW-KRWDZBQOSA-N 1 0 366.502 2.237 50 0 FEAARO C[N@@H+]1CCCN(c2cnn(Cc3ccccc3OC(F)F)c(=O)c2)CC1 ZINC000019740186 539668343 /nfs/dbraw/zinc/66/83/43/539668343.db2.gz TVVIHNYWMKZRMT-UHFFFAOYSA-N 1 0 364.396 2.035 50 0 FEAARO CCC[NH+]1CCN([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000020441683 539674928 /nfs/dbraw/zinc/67/49/28/539674928.db2.gz NKWVBVVBFHWTEL-RBUKOAKNSA-N 1 0 365.543 2.304 50 0 FEAARO CCC[NH+]1CCN([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000020441695 539675004 /nfs/dbraw/zinc/67/50/04/539675004.db2.gz NKWVBVVBFHWTEL-MOPGFXCFSA-N 1 0 365.543 2.304 50 0 FEAARO CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCO[C@H](CC[NH3+])C3)cc2)n1 ZINC000023159070 539708556 /nfs/dbraw/zinc/70/85/56/539708556.db2.gz JMESWPVNIHBDIU-LJQANCHMSA-N 1 0 370.497 2.329 50 0 FEAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(=O)n(C)n2)c2cccs2)CC1 ZINC000027574933 539810039 /nfs/dbraw/zinc/81/00/39/539810039.db2.gz AVWCGHBBRCRHDH-HNNXBMFYSA-N 1 0 360.483 2.045 50 0 FEAARO CC1(C)CC(NC(=O)NCc2ccc(-n3cccn3)nc2)CC(C)(C)[NH2+]1 ZINC000032801796 539953490 /nfs/dbraw/zinc/95/34/90/539953490.db2.gz RPJKFNGIHPPRAY-UHFFFAOYSA-N 1 0 356.474 2.376 50 0 FEAARO Cc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C)cc2)cc1 ZINC000033032894 539964494 /nfs/dbraw/zinc/96/44/94/539964494.db2.gz WSXSQYIXSPEEGL-UHFFFAOYSA-N 1 0 365.477 2.378 50 0 FEAARO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCCCC3)nn2C)c(OC)c1 ZINC000034901343 539978404 /nfs/dbraw/zinc/97/84/04/539978404.db2.gz UMGWRBBSLZRUNC-UHFFFAOYSA-N 1 0 372.469 2.320 50 0 FEAARO CCc1ccccc1OC1CN(c2nc(N(C)C)nc3c2CC[NH2+]C3)C1 ZINC000067934457 541530152 /nfs/dbraw/zinc/53/01/52/541530152.db2.gz YQTOEBVEUNHVGK-UHFFFAOYSA-N 1 0 353.470 2.018 50 0 FEAARO COCc1ncc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000067947275 541531537 /nfs/dbraw/zinc/53/15/37/541531537.db2.gz DVANZLMLQKATON-HXUWFJFHSA-N 1 0 352.482 2.298 50 0 FEAARO O=C(C1CC[NH2+]CC1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067975159 541534425 /nfs/dbraw/zinc/53/44/25/541534425.db2.gz PTYZIVVDDULTQA-UHFFFAOYSA-N 1 0 353.422 2.175 50 0 FEAARO C[C@H]1Oc2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2NC1=O ZINC000069491491 541690284 /nfs/dbraw/zinc/69/02/84/541690284.db2.gz SHQWCLLUYIQPIV-HIFRSBDPSA-N 1 0 358.442 2.498 50 0 FEAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2ccccc2OC)[nH]1 ZINC000071405580 541766772 /nfs/dbraw/zinc/76/67/72/541766772.db2.gz SRNVMRVULSFAPW-HOTGVXAUSA-N 1 0 356.470 2.251 50 0 FEAARO C[NH+](C)[C@@H]1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000071745929 541769220 /nfs/dbraw/zinc/76/92/20/541769220.db2.gz ZUYHFPUUYDEAIC-CQSZACIVSA-N 1 0 361.515 2.158 50 0 FEAARO CC(=O)c1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000071747955 541769950 /nfs/dbraw/zinc/76/99/50/541769950.db2.gz WKVIKQHHXHQIDH-NSISKUIASA-N 1 0 364.449 2.315 50 0 FEAARO CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)[nH]n1 ZINC000071751873 541770615 /nfs/dbraw/zinc/77/06/15/541770615.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 1 0 361.534 2.127 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763906 541772215 /nfs/dbraw/zinc/77/22/15/541772215.db2.gz GYRZVALXLGBRLR-KRWDZBQOSA-N 1 0 361.461 2.150 50 0 FEAARO Cc1nn(C)cc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775887 541772230 /nfs/dbraw/zinc/77/22/30/541772230.db2.gz CGEAMTYZESXASW-GOSISDBHSA-N 1 0 373.545 2.027 50 0 FEAARO c1c(CN2CCN(c3nc4ccccc4s3)CC2)nn2c1C[NH2+]CCC2 ZINC000072143048 541786876 /nfs/dbraw/zinc/78/68/76/541786876.db2.gz QFCYLZDHXZCCLE-UHFFFAOYSA-N 1 0 368.510 2.308 50 0 FEAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072157075 541791521 /nfs/dbraw/zinc/79/15/21/541791521.db2.gz QOKBIFJXQZPTSX-CEWLAPEOSA-N 1 0 352.482 2.491 50 0 FEAARO Cn1nc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nc1N1CCOCC1 ZINC000072158013 541791668 /nfs/dbraw/zinc/79/16/68/541791668.db2.gz ODFSXWGNQWMCGV-QGZVFWFLSA-N 1 0 371.485 2.099 50 0 FEAARO CN(CCC[NH+](C)C)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000072169130 541794839 /nfs/dbraw/zinc/79/48/39/541794839.db2.gz PQKMWDZHACGJKO-UHFFFAOYSA-N 1 0 369.391 2.369 50 0 FEAARO COC(=O)CCn1cc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000072169689 541794933 /nfs/dbraw/zinc/79/49/33/541794933.db2.gz IVWDKCANXJTUML-UHFFFAOYSA-N 1 0 360.433 2.298 50 0 FEAARO C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000072168246 541795279 /nfs/dbraw/zinc/79/52/79/541795279.db2.gz HRWOSTWVTGSRSC-LJQANCHMSA-N 1 0 368.481 2.302 50 0 FEAARO Nc1nc(CCC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000072410119 541806841 /nfs/dbraw/zinc/80/68/41/541806841.db2.gz RDCZHVXBCPEVDF-UHFFFAOYSA-N 1 0 370.522 2.360 50 0 FEAARO Cn1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)ccc1=O ZINC000072412303 541808523 /nfs/dbraw/zinc/80/85/23/541808523.db2.gz NTPKTNXLSDBKRO-UHFFFAOYSA-N 1 0 351.450 2.048 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000072454478 541817181 /nfs/dbraw/zinc/81/71/81/541817181.db2.gz XSQGRLOGIIACDP-MRXNPFEDSA-N 1 0 363.550 2.387 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1cccc(-c2c[nH]cn2)c1 ZINC000072473430 541818553 /nfs/dbraw/zinc/81/85/53/541818553.db2.gz SLOJAZJFLHRKHX-UHFFFAOYSA-N 1 0 350.426 2.338 50 0 FEAARO O=C(c1ccc2n[nH]nc2c1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072474310 541818708 /nfs/dbraw/zinc/81/87/08/541818708.db2.gz JVLHZKIOVRDHEK-UHFFFAOYSA-N 1 0 361.449 2.273 50 0 FEAARO CCCc1nnsc1C(=O)N1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000072478847 541820539 /nfs/dbraw/zinc/82/05/39/541820539.db2.gz OFAZALGXTWKRPY-CYBMUJFWSA-N 1 0 352.504 2.064 50 0 FEAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3)C2=O)cc1 ZINC000004649061 204151710 /nfs/dbraw/zinc/15/17/10/204151710.db2.gz OCDNRGNOEIHPEV-GOSISDBHSA-N 1 0 351.406 2.109 50 0 FEAARO O=C(CN1N=C(c2ccccc2)CCC1=O)NCCC[NH+]1CCCCC1 ZINC000004688145 204154879 /nfs/dbraw/zinc/15/48/79/204154879.db2.gz JSRNCRNOKDSKHH-UHFFFAOYSA-N 1 0 356.470 2.005 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)C1 ZINC000004688152 204155889 /nfs/dbraw/zinc/15/58/89/204155889.db2.gz JWWRFKDITYTWQT-QGZVFWFLSA-N 1 0 370.497 2.251 50 0 FEAARO C[NH+](C)CCNC(=O)COCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004699580 204156305 /nfs/dbraw/zinc/15/63/05/204156305.db2.gz AJTIVRLIOKYMIO-UHFFFAOYSA-N 1 0 371.437 2.112 50 0 FEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261694 204129534 /nfs/dbraw/zinc/12/95/34/204129534.db2.gz KMDXQYUKMCGYRY-IBGZPJMESA-N 1 0 359.514 2.126 50 0 FEAARO c1ccc(-n2nnnc2SCC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000004868619 204171865 /nfs/dbraw/zinc/17/18/65/204171865.db2.gz XDYRVAPHQQXFPN-UHFFFAOYSA-N 1 0 355.423 2.273 50 0 FEAARO CC[C@@H](C(=O)NCCC[NH+](CC)CC)n1ncn2c3ccoc3cc2c1=O ZINC000005135715 204192670 /nfs/dbraw/zinc/19/26/70/204192670.db2.gz ICASMTVUDXGJGZ-AWEZNQCLSA-N 1 0 373.457 2.041 50 0 FEAARO COc1cc(COC[C@@H](O)C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000006308204 204244597 /nfs/dbraw/zinc/24/45/97/204244597.db2.gz YAAFCTKXTHNSEV-INIZCTEOSA-N 1 0 353.459 2.322 50 0 FEAARO CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007987339 204312246 /nfs/dbraw/zinc/31/22/46/204312246.db2.gz BBUSFXMKFVVJCZ-LJQANCHMSA-N 1 0 372.490 2.236 50 0 FEAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccccc1 ZINC000009337660 204363025 /nfs/dbraw/zinc/36/30/25/204363025.db2.gz XGFMXZNUUIYLNZ-UHFFFAOYSA-N 1 0 353.422 2.269 50 0 FEAARO COc1cc(C[NH2+][C@H]2CCCc3nc(N(C)C)ncc32)cc2c1OCO2 ZINC000012073913 204428690 /nfs/dbraw/zinc/42/86/90/204428690.db2.gz PIBDVMOLSTZKFF-AWEZNQCLSA-N 1 0 356.426 2.447 50 0 FEAARO CSCCC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1 ZINC000014750041 204587827 /nfs/dbraw/zinc/58/78/27/204587827.db2.gz QSJUBBDSFRCZOG-AWEZNQCLSA-N 1 0 350.532 2.246 50 0 FEAARO CC(C)(CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1)[NH+]1CCCCC1 ZINC000014139721 204568116 /nfs/dbraw/zinc/56/81/16/204568116.db2.gz DSWLFYXUAYWDTH-UHFFFAOYSA-N 1 0 368.481 2.337 50 0 FEAARO O[C@@H](COCc1ccc(Cl)cc1)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022038567 204768427 /nfs/dbraw/zinc/76/84/27/204768427.db2.gz SVHIHORYHJCBMG-RTBURBONSA-N 1 0 368.905 2.014 50 0 FEAARO Cc1ccccc1C[N@@H+](CCN1CCOCC1)C[C@@H](O)COCC(C)C ZINC000036104381 205005804 /nfs/dbraw/zinc/00/58/04/205005804.db2.gz FARRYPXWBTUJMB-OAQYLSRUSA-N 1 0 364.530 2.163 50 0 FEAARO COc1cc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039515558 205045637 /nfs/dbraw/zinc/04/56/37/205045637.db2.gz LOBBIZUACNQMOD-QGZVFWFLSA-N 1 0 362.470 2.235 50 0 FEAARO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000040159684 205062285 /nfs/dbraw/zinc/06/22/85/205062285.db2.gz DBKVBZKSBNOELS-ZDUSSCGKSA-N 1 0 351.878 2.397 50 0 FEAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000299739039 205116800 /nfs/dbraw/zinc/11/68/00/205116800.db2.gz JSHOLPYHSWVLQB-MIALQEHNSA-N 1 0 359.514 2.495 50 0 FEAARO CN1C(=O)C[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000299740398 205117442 /nfs/dbraw/zinc/11/74/42/205117442.db2.gz ZHCADXYTPLSZEW-YCPHGPKFSA-N 1 0 369.387 2.175 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000046214074 205134086 /nfs/dbraw/zinc/13/40/86/205134086.db2.gz DDQVMVAHINQIDO-HOCLYGCPSA-N 1 0 351.516 2.362 50 0 FEAARO CC(C)c1noc(CCCC(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000046744969 205139094 /nfs/dbraw/zinc/13/90/94/205139094.db2.gz TZRKUGDWLNAYRM-INIZCTEOSA-N 1 0 364.490 2.229 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000047927052 205150810 /nfs/dbraw/zinc/15/08/10/205150810.db2.gz WYXHDPYQWAQXKU-INIZCTEOSA-N 1 0 371.470 2.457 50 0 FEAARO CC(C)C[N@@H+]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000048325995 205157684 /nfs/dbraw/zinc/15/76/84/205157684.db2.gz JFQBLTNIYZRVON-MRXNPFEDSA-N 1 0 361.486 2.368 50 0 FEAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000085468228 205170830 /nfs/dbraw/zinc/17/08/30/205170830.db2.gz ZEZDOCFDBYMFPR-CQSZACIVSA-N 1 0 351.441 2.453 50 0 FEAARO O=C(C[N@@H+]1CCC[C@H](C(=O)NC2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000051044424 205180354 /nfs/dbraw/zinc/18/03/54/205180354.db2.gz NQXAXYCDIOKMLE-INIZCTEOSA-N 1 0 355.482 2.173 50 0 FEAARO O=C(NC[C@H]1C[NH2+]C[C@@H]1CO)c1ccccc1Cc1ccc(Cl)cc1 ZINC000055053557 205204705 /nfs/dbraw/zinc/20/47/05/205204705.db2.gz IGDYAXBEVWDCTO-IAGOWNOFSA-N 1 0 358.869 2.489 50 0 FEAARO Cc1cccc(C(=O)Nc2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ccc2C)c1 ZINC000055228250 205211216 /nfs/dbraw/zinc/21/12/16/205211216.db2.gz WQSHJUWPDDWXIL-SJLPKXTDSA-N 1 0 353.422 2.217 50 0 FEAARO C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccn2)C1 ZINC000055310070 205214076 /nfs/dbraw/zinc/21/40/76/205214076.db2.gz SUKUUBGWBFMGCX-HNNXBMFYSA-N 1 0 352.438 2.292 50 0 FEAARO O=C(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000052932604 205188821 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CCn1nc(C)c(NC(=O)C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)c1C ZINC000067713804 205385503 /nfs/dbraw/zinc/38/55/03/205385503.db2.gz RWGSGMOGACKBGM-UHFFFAOYSA-N 1 0 371.416 2.229 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000067723649 205385867 /nfs/dbraw/zinc/38/58/67/205385867.db2.gz IWZWFJFLPKALMY-UHFFFAOYSA-N 1 0 358.471 2.423 50 0 FEAARO CN(Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)no1)Cc1ccccc1 ZINC000067713378 205385927 /nfs/dbraw/zinc/38/59/27/205385927.db2.gz AYGHNIHLUVRWKG-KRWDZBQOSA-N 1 0 356.470 2.473 50 0 FEAARO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)cc1Cn1cccn1 ZINC000067757047 205388868 /nfs/dbraw/zinc/38/88/68/205388868.db2.gz WIURBJUAHBGUMO-MSOLQXFVSA-N 1 0 354.454 2.135 50 0 FEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067774326 205389903 /nfs/dbraw/zinc/38/99/03/205389903.db2.gz UBJZXOZKKVNRRT-HXUWFJFHSA-N 1 0 362.518 2.440 50 0 FEAARO CCOc1ccc2oc(C)c(C(=O)N3C[C@@H]([NH3+])C[C@H]3C(=O)NC(C)C)c2c1 ZINC000067772590 205390885 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FEAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)cn1 ZINC000095352297 205724651 /nfs/dbraw/zinc/72/46/51/205724651.db2.gz WZNJYKXROOQXRB-IBGZPJMESA-N 1 0 357.454 2.387 50 0 FEAARO O=C(c1cccnn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095388067 205750609 /nfs/dbraw/zinc/75/06/09/205750609.db2.gz HVPAXXKAAGCGIP-QXAKKESOSA-N 1 0 352.413 2.318 50 0 FEAARO Cc1nn(C)c2nc(N3CCC([C@@H](C)[NH+]4CCN(C)CC4)CC3)sc12 ZINC000095525314 205782364 /nfs/dbraw/zinc/78/23/64/205782364.db2.gz RRTCJNPDRCDJKT-CQSZACIVSA-N 1 0 362.547 2.191 50 0 FEAARO OCc1cc2ccccc2nc1N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095529249 205785127 /nfs/dbraw/zinc/78/51/27/205785127.db2.gz NJRIAZJWVQRAHR-HXUWFJFHSA-N 1 0 363.461 2.410 50 0 FEAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1cccnc1 ZINC000043944346 206061868 /nfs/dbraw/zinc/06/18/68/206061868.db2.gz ZNSCWOFSLBTHTR-UHFFFAOYSA-N 1 0 351.497 2.334 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2F)C1 ZINC000237174694 206089339 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CCCCOC(=O)c1ccc(NC(=O)C(=O)NCC[NH+](CC)CC)cc1 ZINC000004769787 206181507 /nfs/dbraw/zinc/18/15/07/206181507.db2.gz RDWSQUJZADOIPL-UHFFFAOYSA-N 1 0 363.458 2.040 50 0 FEAARO O[C@@H](CNc1ccc2nnc(-c3ccccc3F)n2n1)C[NH+]1CCCCC1 ZINC000174683831 206287391 /nfs/dbraw/zinc/28/73/91/206287391.db2.gz YOVCHDSAISZZOP-AWEZNQCLSA-N 1 0 370.432 2.189 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1n[nH]c(=O)c2ccccc21 ZINC000014141548 206309730 /nfs/dbraw/zinc/30/97/30/206309730.db2.gz ZUCVLYVWNOHWAR-UHFFFAOYSA-N 1 0 362.433 2.318 50 0 FEAARO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c(-c2ccccc2)n1 ZINC000215066091 206344554 /nfs/dbraw/zinc/34/45/54/206344554.db2.gz WBYQZGDKDXQROZ-LJQANCHMSA-N 1 0 368.481 2.300 50 0 FEAARO CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 ZINC000058074150 206389863 /nfs/dbraw/zinc/38/98/63/206389863.db2.gz UQUXIPRBCHEZCW-KRWDZBQOSA-N 1 0 372.469 2.259 50 0 FEAARO CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c1=O ZINC000022697119 206391107 /nfs/dbraw/zinc/39/11/07/206391107.db2.gz MRGTYLVJNFMAEY-LJQANCHMSA-N 1 0 359.445 2.358 50 0 FEAARO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000075104892 542152753 /nfs/dbraw/zinc/15/27/53/542152753.db2.gz LSNKPDRFGRGEBL-MRXNPFEDSA-N 1 0 369.469 2.431 50 0 FEAARO CC(C)(C[NH2+]Cc1cccc2c1OC(C)(C)C2)N1CCS(=O)CC1 ZINC000075092256 542151092 /nfs/dbraw/zinc/15/10/92/542151092.db2.gz HGMUIDOIVYJAJF-UHFFFAOYSA-N 1 0 350.528 2.333 50 0 FEAARO CCC[NH+]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C(C)=O)CC4)CC1 ZINC000075483631 542182425 /nfs/dbraw/zinc/18/24/25/542182425.db2.gz JLKWHFJWDZAOFZ-UHFFFAOYSA-N 1 0 368.481 2.240 50 0 FEAARO CCNC(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077303683 542364179 /nfs/dbraw/zinc/36/41/79/542364179.db2.gz HKDAOLZYAYLXAO-NRFANRHFSA-N 1 0 357.498 2.070 50 0 FEAARO O=C(CCC(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000077323255 542367703 /nfs/dbraw/zinc/36/77/03/542367703.db2.gz QIBJSCFDAJNYTB-HXUWFJFHSA-N 1 0 362.445 2.238 50 0 FEAARO CCC[C@H](C)N1CC2(CCN(C(=O)C[NH+]3CCCCC3)CC2)OC1=O ZINC000077343065 542369138 /nfs/dbraw/zinc/36/91/38/542369138.db2.gz NVTKOGZLJXCTSD-INIZCTEOSA-N 1 0 351.491 2.474 50 0 FEAARO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000077379849 542375333 /nfs/dbraw/zinc/37/53/33/542375333.db2.gz XOEQSXORWJBRLK-GOSISDBHSA-N 1 0 357.502 2.444 50 0 FEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCn1nnc2ccccc21 ZINC000077391340 542377239 /nfs/dbraw/zinc/37/72/39/542377239.db2.gz RJGXRFBDJZOWBR-SFHVURJKSA-N 1 0 363.465 2.337 50 0 FEAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077406808 542379053 /nfs/dbraw/zinc/37/90/53/542379053.db2.gz MWLUYCOJEGREMT-HXUWFJFHSA-N 1 0 358.461 2.434 50 0 FEAARO COc1coc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1=O ZINC000077425625 542380896 /nfs/dbraw/zinc/38/08/96/542380896.db2.gz BUEKKWKQYJEIIX-UHFFFAOYSA-N 1 0 372.465 2.375 50 0 FEAARO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000079723436 542539426 /nfs/dbraw/zinc/53/94/26/542539426.db2.gz ZOFNTBOTVRRMFG-QGZVFWFLSA-N 1 0 372.513 2.483 50 0 FEAARO Cc1c2cccc(F)c2[nH]c1C(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000082091866 542683374 /nfs/dbraw/zinc/68/33/74/542683374.db2.gz COBWYVLJTDGQBX-SFHVURJKSA-N 1 0 370.472 2.467 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc(N(C)C)cc3)cc2C1 ZINC000082125486 542685804 /nfs/dbraw/zinc/68/58/04/542685804.db2.gz OHDWHAJHNLGYKU-UHFFFAOYSA-N 1 0 355.486 2.495 50 0 FEAARO Nc1ncccc1CN1C[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)[C@@H]2C1 ZINC000082156792 542686547 /nfs/dbraw/zinc/68/65/47/542686547.db2.gz SESUKNLPFQPAIM-FUHWJXTLSA-N 1 0 366.465 2.141 50 0 FEAARO CCc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(C)n1 ZINC000095390589 132210445 /nfs/dbraw/zinc/21/04/45/132210445.db2.gz WXLSGGQXQNUHQD-NRFANRHFSA-N 1 0 371.529 2.261 50 0 FEAARO Cc1cc(N2CCN(C(=O)CN3CC4(CCCC4)CC3=O)CC2)cc(C)[nH+]1 ZINC000095497930 132212056 /nfs/dbraw/zinc/21/20/56/132212056.db2.gz MFLSMYQXVOPTOD-UHFFFAOYSA-N 1 0 370.497 2.140 50 0 FEAARO CSc1nccc(N2CCC([NH2+]CCCc3csc(N)n3)CC2)n1 ZINC000095523302 132214284 /nfs/dbraw/zinc/21/42/84/132214284.db2.gz GNFWZNXABNKOAN-UHFFFAOYSA-N 1 0 364.544 2.428 50 0 FEAARO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237488500 132248191 /nfs/dbraw/zinc/24/81/91/132248191.db2.gz ABWNVRUQIVHVCR-XOBRGWDASA-N 1 0 363.477 2.354 50 0 FEAARO O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCN(c2cnccn2)CC1 ZINC000173880694 132265439 /nfs/dbraw/zinc/26/54/39/132265439.db2.gz JEVABVMCZJVMMS-IBGZPJMESA-N 1 0 365.481 2.180 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3ccnc(C)n3)C[C@H]2CCO)c(C)c1C ZINC000106994780 132266497 /nfs/dbraw/zinc/26/64/97/132266497.db2.gz HUWDPPUEOFPAKF-LJQANCHMSA-N 1 0 370.497 2.484 50 0 FEAARO COc1ccc(CN2CCN(c3cnccn3)CC2)cc1C[NH+]1CCCC1 ZINC000215731925 132270382 /nfs/dbraw/zinc/27/03/82/132270382.db2.gz SALXTGGWTJKOMZ-UHFFFAOYSA-N 1 0 367.497 2.403 50 0 FEAARO Cc1ccccc1N1CC[NH+](CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000002183608 132382625 /nfs/dbraw/zinc/38/26/25/132382625.db2.gz PBFQNWKRAQODNQ-IBGZPJMESA-N 1 0 370.497 2.324 50 0 aggregator FEAARO CN1CCN(c2ncnc3c4cc5c(nc4oc32)CC(C)(C)OC5)CC1 ZINC000002363930 132383367 /nfs/dbraw/zinc/38/33/67/132383367.db2.gz VJNDSQSYWHKCON-UHFFFAOYSA-N 1 0 353.426 2.374 50 0 FEAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000091380954 542805688 /nfs/dbraw/zinc/80/56/88/542805688.db2.gz NLVGKOQOECIOTB-HNAYVOBHSA-N 1 0 350.466 2.124 50 0 FEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCN(c2nccs2)CC1 ZINC000091325675 542804327 /nfs/dbraw/zinc/80/43/27/542804327.db2.gz DGORHSNHMKPTOW-UHFFFAOYSA-N 1 0 360.483 2.297 50 0 FEAARO Cc1ccn2c(=O)cc(C[N@H+]3CC[C@@]4(C3)CCCN(C(C)C)C4=O)nc2c1 ZINC000091536549 542811947 /nfs/dbraw/zinc/81/19/47/542811947.db2.gz DPINIGLGQKOPJI-OAQYLSRUSA-N 1 0 368.481 2.226 50 0 FEAARO O=C(C1CC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccnc1)CC2 ZINC000091574888 542813145 /nfs/dbraw/zinc/81/31/45/542813145.db2.gz ZRJQXDCXTZQTAA-UHFFFAOYSA-N 1 0 351.454 2.091 50 0 FEAARO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091595911 542815119 /nfs/dbraw/zinc/81/51/19/542815119.db2.gz HZUNIOPRSANSEH-DOTOQJQBSA-N 1 0 354.454 2.050 50 0 FEAARO COc1ccc2c(c1)[C@H](C(=O)N1CC[NH+](CC3CCCC3)CC1)CC(=O)N2 ZINC000091616458 542816104 /nfs/dbraw/zinc/81/61/04/542816104.db2.gz FZFUAYWGUJVVIU-GOSISDBHSA-N 1 0 371.481 2.455 50 0 FEAARO c1cn(C[C@@H]2OCCc3ccccc32)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091625127 542816782 /nfs/dbraw/zinc/81/67/82/542816782.db2.gz UEQFMBVTNZCYMZ-IBGZPJMESA-N 1 0 364.453 2.380 50 0 FEAARO NC(=O)CN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000091724849 542821277 /nfs/dbraw/zinc/82/12/77/542821277.db2.gz BYYNSORSUBGQBA-UHFFFAOYSA-N 1 0 367.852 2.169 50 0 FEAARO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000091894252 542831777 /nfs/dbraw/zinc/83/17/77/542831777.db2.gz IYNBZTAXAQOGSA-GOSISDBHSA-N 1 0 362.481 2.407 50 0 FEAARO Cc1cc(C)n(CC[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)c(=O)n1 ZINC000092062040 542842297 /nfs/dbraw/zinc/84/22/97/542842297.db2.gz MBQCFTZRHKDUNH-UHFFFAOYSA-N 1 0 358.829 2.145 50 0 FEAARO CN1CC[NH+]([C@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCCO)CC1 ZINC000092065986 542842640 /nfs/dbraw/zinc/84/26/40/542842640.db2.gz JPINXMBQUHQRQY-XLIONFOSSA-N 1 0 367.484 2.175 50 0 FEAARO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cs1 ZINC000091943221 542833246 /nfs/dbraw/zinc/83/32/46/542833246.db2.gz UOBLZYWZBZREJD-YALNPMBYSA-N 1 0 366.527 2.100 50 0 FEAARO COc1ccc([C@H]2CN(C(=O)c3scc4c3OCCO4)C[C@@H]2[NH3+])cc1 ZINC000091985432 542834780 /nfs/dbraw/zinc/83/47/80/542834780.db2.gz WZPFXOBKSOVCQQ-KGLIPLIRSA-N 1 0 360.435 2.095 50 0 FEAARO Cc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)cc1N1CCNC1=O ZINC000091966688 542835104 /nfs/dbraw/zinc/83/51/04/542835104.db2.gz BVPVOUNHGDENRT-MSOLQXFVSA-N 1 0 364.449 2.092 50 0 FEAARO Cc1c(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cnn1C ZINC000091987389 542836025 /nfs/dbraw/zinc/83/60/25/542836025.db2.gz MBDYXLUYGYOJJR-UHFFFAOYSA-N 1 0 356.518 2.457 50 0 FEAARO Cn1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018061 542903050 /nfs/dbraw/zinc/90/30/50/542903050.db2.gz UESMOOOMVFUQAZ-QGZVFWFLSA-N 1 0 355.486 2.026 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(c3cc(C4CC4)ncn3)CC2)C1 ZINC000071405848 136139017 /nfs/dbraw/zinc/13/90/17/136139017.db2.gz HNOQMKIVMVLECM-MRXNPFEDSA-N 1 0 369.513 2.313 50 0 FEAARO COc1ccc(C(=O)[C@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)cc1OC ZINC000071752085 136140149 /nfs/dbraw/zinc/14/01/49/136140149.db2.gz SOEFYALHRDLRTR-AWEZNQCLSA-N 1 0 356.426 2.484 50 0 FEAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nn1 ZINC000071749797 136140236 /nfs/dbraw/zinc/14/02/36/136140236.db2.gz IHCPTZFMYWUZAT-QGZVFWFLSA-N 1 0 357.502 2.088 50 0 FEAARO Cc1nccnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071768008 136141019 /nfs/dbraw/zinc/14/10/19/136141019.db2.gz SSUSRBRLPOIXRS-KRWDZBQOSA-N 1 0 357.502 2.088 50 0 FEAARO COc1cccc([C@H]2CN(c3ccnc(N)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095375933 542963846 /nfs/dbraw/zinc/96/38/46/542963846.db2.gz WTOPHQURBKDFRF-BHIYHBOVSA-N 1 0 351.454 2.134 50 0 FEAARO Cc1cc(N2CCC(n3cc(CN4CCSCC4)nn3)CC2)cc[nH+]1 ZINC000023310813 136152622 /nfs/dbraw/zinc/15/26/22/136152622.db2.gz ZYVRSHOKZCEWLS-UHFFFAOYSA-N 1 0 358.515 2.372 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)CCC(C)=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095352696 542957332 /nfs/dbraw/zinc/95/73/32/542957332.db2.gz XDJXLLCHGRSMEW-CEWLAPEOSA-N 1 0 356.466 2.453 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC1 ZINC000095356414 542958578 /nfs/dbraw/zinc/95/85/78/542958578.db2.gz LJEMFGNDHPZZSZ-IBGZPJMESA-N 1 0 362.518 2.204 50 0 FEAARO C[N@@H+]1CCN(C(=O)CCCCc2ccccc2)C[C@]12CCNC(=O)CC2 ZINC000095358522 542959570 /nfs/dbraw/zinc/95/95/70/542959570.db2.gz MSTDKGHUSHAGAC-NRFANRHFSA-N 1 0 357.498 2.212 50 0 FEAARO c1cnc(N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000095382734 542965312 /nfs/dbraw/zinc/96/53/12/542965312.db2.gz KYCNYQKZZKLPLU-ATZDWAIDSA-N 1 0 350.422 2.272 50 0 FEAARO CN1CC[N@H+](CCCCOc2ccccc2)C[C@]12CCC(=O)N(C)CC2 ZINC000095379070 542964254 /nfs/dbraw/zinc/96/42/54/542964254.db2.gz ZKMKQVJPGGYOST-OAQYLSRUSA-N 1 0 359.514 2.474 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCCC2)C1)N1CCCN(c2ncccn2)CC1 ZINC000095386768 542967321 /nfs/dbraw/zinc/96/73/21/542967321.db2.gz ZFNIZWGHRXUIHW-QGZVFWFLSA-N 1 0 357.502 2.170 50 0 FEAARO CCn1nc(C)c(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1C ZINC000095388170 542967454 /nfs/dbraw/zinc/96/74/54/542967454.db2.gz RQRBAWMWKDOORW-QGZVFWFLSA-N 1 0 362.518 2.070 50 0 FEAARO C[NH+]1CCN([C@H]2CC[N@H+](Cc3cccs3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095519898 542978777 /nfs/dbraw/zinc/97/87/77/542978777.db2.gz CKMAXQNIJOCYJV-WBVHZDCISA-N 1 0 351.516 2.051 50 0 FEAARO COc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000095467457 542972562 /nfs/dbraw/zinc/97/25/62/542972562.db2.gz YEZYUXZQTVMHPS-ZDUSSCGKSA-N 1 0 356.488 2.055 50 0 FEAARO O=C(c1coc(CN2CCOCC2)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095498093 542974451 /nfs/dbraw/zinc/97/44/51/542974451.db2.gz BOWNEFNSMGXTPZ-IEBWSBKVSA-N 1 0 373.497 2.058 50 0 FEAARO O=C(C[C@@H](c1ccccc1)c1ccccn1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000095506421 542975877 /nfs/dbraw/zinc/97/58/77/542975877.db2.gz LMTHIQSQLDLJPU-IBGZPJMESA-N 1 0 361.449 2.220 50 0 FEAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)cc2)c1 ZINC000095516538 542978077 /nfs/dbraw/zinc/97/80/77/542978077.db2.gz CEZOGSSGHHKALK-KRWDZBQOSA-N 1 0 367.449 2.498 50 0 FEAARO O=C(c1ccc(Cn2cccn2)o1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095524445 542980017 /nfs/dbraw/zinc/98/00/17/542980017.db2.gz NZFRLEHXFIQYSI-IAGOWNOFSA-N 1 0 354.454 2.471 50 0 FEAARO C[NH+](C)CCN1C[C@H](C(=O)NC(C)(C)CC2Cc3ccccc3C2)CC1=O ZINC000095524826 542980939 /nfs/dbraw/zinc/98/09/39/542980939.db2.gz LOIORSQDPMREQA-LJQANCHMSA-N 1 0 371.525 2.096 50 0 FEAARO C[NH+](C)CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000096094825 542990931 /nfs/dbraw/zinc/99/09/31/542990931.db2.gz KTLSAWAOCGIDLJ-UHFFFAOYSA-N 1 0 356.470 2.088 50 0 FEAARO Cc1nnc2n1[C@H](C)CN(C(=O)C[NH+]1CCC(c3ccccc3)CC1)C2 ZINC000096162415 542994581 /nfs/dbraw/zinc/99/45/81/542994581.db2.gz JJANWHPFFWLECH-OAHLLOKOSA-N 1 0 353.470 2.369 50 0 FEAARO Cc1cc(N(C)C)nc(SCc2ccc(C(=O)NCC[NH+](C)C)o2)n1 ZINC000096211170 542996113 /nfs/dbraw/zinc/99/61/13/542996113.db2.gz QHHKBHRWQUMZJR-UHFFFAOYSA-N 1 0 363.487 2.028 50 0 FEAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CCN(c2cccc(C(F)(F)F)c2)C1=O ZINC000096280895 542997902 /nfs/dbraw/zinc/99/79/02/542997902.db2.gz VXFVBZMKXCXHQS-HNNXBMFYSA-N 1 0 369.387 2.270 50 0 FEAARO Cn1nc(C(=O)N2C[C@@H](C[NH+](C)C)C3(C2)CCOCC3)c2ccccc21 ZINC000097086809 543003677 /nfs/dbraw/zinc/00/36/77/543003677.db2.gz ZQQKLEICOGCAKS-OAHLLOKOSA-N 1 0 356.470 2.004 50 0 FEAARO CN1CC[N@H+](C)[C@H](CC(=O)N(CCCO)Cc2cccc3ccccc32)C1 ZINC000097117169 543004281 /nfs/dbraw/zinc/00/42/81/543004281.db2.gz RMNCOQLCOFNWRR-HXUWFJFHSA-N 1 0 369.509 2.187 50 0 FEAARO Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC([NH+]4CCSCC4)CC3)c2c1 ZINC000097323848 543009604 /nfs/dbraw/zinc/00/96/04/543009604.db2.gz RSWFMIKTFFSGOT-UHFFFAOYSA-N 1 0 371.506 2.490 50 0 FEAARO CC(C)=CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CCOC1)CC2 ZINC000097546501 543012997 /nfs/dbraw/zinc/01/29/97/543012997.db2.gz QJYAKQOLLSNOBM-MRXNPFEDSA-N 1 0 358.486 2.088 50 0 FEAARO O=S(=O)(NCc1ccccc1)c1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000097360207 543010276 /nfs/dbraw/zinc/01/02/76/543010276.db2.gz UWIYAWWULNGORD-UHFFFAOYSA-N 1 0 368.462 2.201 50 0 FEAARO COc1ccccc1CNc1nn2c(nc(C[NH+]3CCCCC3)cc2=O)[nH]1 ZINC000101796601 543046097 /nfs/dbraw/zinc/04/60/97/543046097.db2.gz QQMAELNFOGJQEY-UHFFFAOYSA-N 1 0 368.441 2.024 50 0 FEAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105471797 543174581 /nfs/dbraw/zinc/17/45/81/543174581.db2.gz ZMMQZOMRIXNRSD-OAHLLOKOSA-N 1 0 352.841 2.393 50 0 FEAARO Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000134499337 544310539 /nfs/dbraw/zinc/31/05/39/544310539.db2.gz MZDNYRSREQJATI-QGZVFWFLSA-N 1 0 358.486 2.299 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000426633731 263648050 /nfs/dbraw/zinc/64/80/50/263648050.db2.gz BYOIFFLANXFEIC-AWEZNQCLSA-N 1 0 360.385 2.123 50 0 FEAARO C[C@H](CN(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1nccs1 ZINC000182716291 327786273 /nfs/dbraw/zinc/78/62/73/327786273.db2.gz JADRHXTYHNCITC-CABCVRRESA-N 1 0 366.531 2.389 50 0 FEAARO CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019938315 519729648 /nfs/dbraw/zinc/72/96/48/519729648.db2.gz YIJZWQGMEKPTDM-HXUWFJFHSA-N 1 0 369.465 2.207 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)c3cc(C)cs3)cc2C1 ZINC000082096291 519855640 /nfs/dbraw/zinc/85/56/40/519855640.db2.gz YXUPRYPOGLEWNN-UHFFFAOYSA-N 1 0 368.528 2.347 50 0 FEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cnc(C(C)(C)C)[nH]c1=O ZINC000091691074 521750114 /nfs/dbraw/zinc/75/01/14/521750114.db2.gz LFJBKXIWNFVAPC-UHFFFAOYSA-N 1 0 356.470 2.271 50 0 FEAARO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3C[C@H](O)C[NH2+]3)s2)cc1 ZINC000277615124 523193612 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O=C(CCc1cc2n(n1)CC[N@H+](CCCn1cccc1)C2)N1CCCC1 ZINC000082093103 526583601 /nfs/dbraw/zinc/58/36/01/526583601.db2.gz XEKMWFWFSMXAOA-UHFFFAOYSA-N 1 0 355.486 2.146 50 0 FEAARO O=C(CSC12CC3CC(CC(C3)C1)C2)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082166325 527011609 /nfs/dbraw/zinc/01/16/09/527011609.db2.gz SJIMUPUKOAZTLS-UHFFFAOYSA-N 1 0 360.527 2.305 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000178526227 527216272 /nfs/dbraw/zinc/21/62/72/527216272.db2.gz QITKEUUSNPQNEI-ZDUSSCGKSA-N 1 0 370.902 2.234 50 0 FEAARO Cn1cc(SCC(=O)NCc2cc3n(n2)CCC[NH2+]C3)c2ccccc21 ZINC000082087421 527291849 /nfs/dbraw/zinc/29/18/49/527291849.db2.gz LHDMTDYLHIRFIE-UHFFFAOYSA-N 1 0 369.494 2.277 50 0 FEAARO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000171075844 546188382 /nfs/dbraw/zinc/18/83/82/546188382.db2.gz LAPKZRCQQOJYOK-AWEZNQCLSA-N 1 0 368.499 2.247 50 0 FEAARO CS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194834621 548539221 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CCOC(=O)[C@H]1[C@H]([NH2+]CC2(C)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000252497198 549669861 /nfs/dbraw/zinc/66/98/61/549669861.db2.gz QBGIDSRYYXBMJR-HUUCEWRRSA-N 1 0 370.490 2.334 50 0 FEAARO COC(=O)C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cccc(OC)c2)CC1 ZINC000253425832 549688394 /nfs/dbraw/zinc/68/83/94/549688394.db2.gz DWTWRFGRRPESMF-INIZCTEOSA-N 1 0 362.470 2.319 50 0 FEAARO O=C(NC1CCCC1)[C@@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257183068 549713810 /nfs/dbraw/zinc/71/38/10/549713810.db2.gz QTMWDKNKIKQCFE-GOSISDBHSA-N 1 0 372.513 2.249 50 0 FEAARO O=C(CCn1ccnc1)N1CCC2(CC1)CCC(=O)N(CC1CC1)CC2 ZINC000257194218 549715502 /nfs/dbraw/zinc/71/55/02/549715502.db2.gz SVDIWSOZJJHECE-UHFFFAOYSA-N 1 0 358.486 2.305 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262304438 549808499 /nfs/dbraw/zinc/80/84/99/549808499.db2.gz ATBOLAZVFDKBDR-INMHGKMJSA-N 1 0 356.470 2.046 50 0 FEAARO COc1cccc([C@@H]2C[C@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 ZINC000285208264 551720448 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FEAARO O=C(Cn1nccn1)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000299772932 553612950 /nfs/dbraw/zinc/61/29/50/553612950.db2.gz DECYGNDLLCMRJF-FQEVSTJZSA-N 1 0 353.470 2.183 50 0 FEAARO Cc1cc(C)nc(-c2cccc(C(=O)NCCC[NH+]3CCC(O)CC3)c2)n1 ZINC000299791719 553615212 /nfs/dbraw/zinc/61/52/12/553615212.db2.gz FHPCWVWKVSXLPO-UHFFFAOYSA-N 1 0 368.481 2.337 50 0 FEAARO Cn1nc([C@H]2CCCOC2)cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000333263629 554595881 /nfs/dbraw/zinc/59/58/81/554595881.db2.gz GNCXDEZLFAGIDD-HOTGVXAUSA-N 1 0 361.490 2.406 50 0 FEAARO CC1(C)CC(NC(=O)CC2(Cn3cnnn3)CCCCC2)CC(C)(C)[NH2+]1 ZINC000524732408 562233180 /nfs/dbraw/zinc/23/31/80/562233180.db2.gz ZUTRWIWSHBTAHT-UHFFFAOYSA-N 1 0 362.522 2.439 50 0 FEAARO COc1ccc(C(=O)N2CC[C@](O)(c3ccccc3C)C2)cc1OCC[NH3+] ZINC000426526526 559736829 /nfs/dbraw/zinc/73/68/29/559736829.db2.gz WOEUMMBCWGQFKF-OAQYLSRUSA-N 1 0 370.449 2.075 50 0 FEAARO Cc1ccsc1CN(CC[NH+](C)C)c1cc([C@H]2CCOC2)nc(N)n1 ZINC000426535133 559737060 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COc1cccc(CN2CCN(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000534673595 562540039 /nfs/dbraw/zinc/54/00/39/562540039.db2.gz HWUMZCOQIQZTLZ-GOSISDBHSA-N 1 0 374.529 2.397 50 0 FEAARO O=C(NCc1ccccn1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000426477645 570606218 /nfs/dbraw/zinc/60/62/18/570606218.db2.gz BMKGVKYARGELKR-FQEVSTJZSA-N 1 0 350.466 2.466 50 0 FEAARO COc1cccc2c1CCN(C(=O)c1cn[nH]c1[C@H]1CCCC[NH2+]1)CC2 ZINC000685941542 571101410 /nfs/dbraw/zinc/10/14/10/571101410.db2.gz CWUDKCRLQIHREP-QGZVFWFLSA-N 1 0 354.454 2.474 50 0 FEAARO C[C@@H](NC(=O)N1CCC([NH+]2CCC(O)CC2)CC1)c1nc2ccccc2[nH]1 ZINC000426420320 571222875 /nfs/dbraw/zinc/22/28/75/571222875.db2.gz OMHGPGLNRVGGLF-CQSZACIVSA-N 1 0 371.485 2.255 50 0 FEAARO CCn1cnnc1CN(C)C(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000584889548 571314404 /nfs/dbraw/zinc/31/44/04/571314404.db2.gz AQMBGBCBOWNYEF-KRWDZBQOSA-N 1 0 371.489 2.062 50 0 FEAARO C[N@H+](C[C@]1(O)CCCN(CCC2CCCCC2)C1=O)C1CCOCC1 ZINC000011873459 669999863 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Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1Cl ZINC000952963248 681792781 /nfs/dbraw/zinc/79/27/81/681792781.db2.gz JGZXXTBQFVYIDI-CQSZACIVSA-N 1 0 360.907 2.380 50 0 FEAARO CC[N@@H+]1CCC[C@@H](CN(C)S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)C1 ZINC000952980465 681794357 /nfs/dbraw/zinc/79/43/57/681794357.db2.gz QTGWLWPDDFIRSD-AWEZNQCLSA-N 1 0 366.487 2.331 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000952983733 681794937 /nfs/dbraw/zinc/79/49/37/681794937.db2.gz QURSULVGOGBYAV-HNNXBMFYSA-N 1 0 360.907 2.070 50 0 FEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)Cc2ccccc2)c1 ZINC000006700751 539435130 /nfs/dbraw/zinc/43/51/30/539435130.db2.gz YLDKWENWFWWNJV-UHFFFAOYSA-N 1 0 367.449 2.406 50 0 FEAARO COc1ccccc1[C@@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4 ZINC000009835538 539507808 /nfs/dbraw/zinc/50/78/08/539507808.db2.gz RAIMZAQKINERHN-QGZVFWFLSA-N 1 0 365.393 2.303 50 0 FEAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3nonc3C)C2)cc1 ZINC000012718860 539570700 /nfs/dbraw/zinc/57/07/00/539570700.db2.gz BWFFWCZVPPIVQV-QGZVFWFLSA-N 1 0 372.469 2.413 50 0 FEAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 ZINC000012782264 539573541 /nfs/dbraw/zinc/57/35/41/539573541.db2.gz CAUCHNPQMFJXCV-UHFFFAOYSA-N 1 0 355.504 2.432 50 0 FEAARO CCOc1ccc(CCC2CC[NH+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000012904439 539578562 /nfs/dbraw/zinc/57/85/62/539578562.db2.gz UDFXRKUTCVPZTE-UHFFFAOYSA-N 1 0 359.470 2.282 50 0 FEAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000013649060 539589446 /nfs/dbraw/zinc/58/94/46/539589446.db2.gz ATROISUPBLTDMF-UHFFFAOYSA-N 1 0 361.467 2.087 50 0 FEAARO COc1cc(COC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000013304999 539585681 /nfs/dbraw/zinc/58/56/81/539585681.db2.gz IGFPZUIONLNUDO-GDBMZVCRSA-N 1 0 353.459 2.322 50 0 FEAARO CCC(=O)c1ccc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000014117661 539595725 /nfs/dbraw/zinc/59/57/25/539595725.db2.gz DMXCDUMTMSMLLO-GOSISDBHSA-N 1 0 362.470 2.131 50 0 FEAARO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cc(OC)ccc1F)C2 ZINC000014975772 539607516 /nfs/dbraw/zinc/60/75/16/539607516.db2.gz ROBHQPOGBNQIFD-LJQANCHMSA-N 1 0 350.434 2.295 50 0 FEAARO COc1ccccc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)C(C)C)n2CC1 ZINC000014993018 539609655 /nfs/dbraw/zinc/60/96/55/539609655.db2.gz DJBUHGVQRHANTQ-OAHLLOKOSA-N 1 0 371.485 2.178 50 0 FEAARO CCOc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1Cl ZINC000015078932 539611985 /nfs/dbraw/zinc/61/19/85/539611985.db2.gz IRILQFWDNQWHCY-QZTJIDSGSA-N 1 0 368.905 2.131 50 0 FEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1 ZINC000015677576 539621610 /nfs/dbraw/zinc/62/16/10/539621610.db2.gz LISPIOVVWKMXHS-HNNXBMFYSA-N 1 0 368.481 2.337 50 0 FEAARO COc1cc(COC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000015911987 539624861 /nfs/dbraw/zinc/62/48/61/539624861.db2.gz NSGAMEJUVFZLSE-GOEBONIOSA-N 1 0 353.459 2.464 50 0 FEAARO C[NH+](C)CCCNC(=O)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000020602505 539675574 /nfs/dbraw/zinc/67/55/74/539675574.db2.gz BBJDAKPXELJBMY-CQSZACIVSA-N 1 0 354.248 2.010 50 0 FEAARO O=C1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000019877397 539670941 /nfs/dbraw/zinc/67/09/41/539670941.db2.gz DVFWECSBTNUNQU-IBGZPJMESA-N 1 0 373.472 2.404 50 0 FEAARO CCC[NH+]1CCN([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000020441687 539675225 /nfs/dbraw/zinc/67/52/25/539675225.db2.gz NKWVBVVBFHWTEL-OALUTQOASA-N 1 0 365.543 2.304 50 0 FEAARO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000021153066 539681388 /nfs/dbraw/zinc/68/13/88/539681388.db2.gz MGLJQHFGJWNFEL-GOSISDBHSA-N 1 0 362.424 2.022 50 0 FEAARO CCN(CCC[NH+]1CCCC1)C(=O)NCCC(=O)NC1CCCCC1 ZINC000252490255 209934019 /nfs/dbraw/zinc/93/40/19/209934019.db2.gz KNEZXMKXMUFQRV-UHFFFAOYSA-N 1 0 352.523 2.343 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(N(C)C)[nH+]1 ZINC000021793575 539687192 /nfs/dbraw/zinc/68/71/92/539687192.db2.gz UAJGJPLCHTUYEH-UHFFFAOYSA-N 1 0 359.861 2.467 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc(N(C)C)[nH+]1 ZINC000021793570 539687401 /nfs/dbraw/zinc/68/74/01/539687401.db2.gz QBGDURUXYCEDQX-UHFFFAOYSA-N 1 0 359.861 2.467 50 0 FEAARO C[NH+]1CCN([C@H](CNC(=O)COc2ccccc2)c2ccsc2)CC1 ZINC000022765428 539699141 /nfs/dbraw/zinc/69/91/41/539699141.db2.gz UVVLQDDYZMOOJO-GOSISDBHSA-N 1 0 359.495 2.232 50 0 FEAARO COc1ccc([C@H](CNC(=O)c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000022794256 539699676 /nfs/dbraw/zinc/69/96/76/539699676.db2.gz QVGURQOGBHRKDH-KRWDZBQOSA-N 1 0 359.495 2.475 50 0 FEAARO COCC[NH+]1CCC(CNS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000022999857 539704175 /nfs/dbraw/zinc/70/41/75/539704175.db2.gz TZSRIIVYNCSTFZ-UHFFFAOYSA-N 1 0 362.495 2.477 50 0 FEAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190086 539727582 /nfs/dbraw/zinc/72/75/82/539727582.db2.gz CKIREJWRBPJTGZ-UHFFFAOYSA-N 1 0 373.526 2.432 50 0 FEAARO C[NH+](C)Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000024810007 539741401 /nfs/dbraw/zinc/74/14/01/539741401.db2.gz NLRVXJZZJFAIDL-HOTGVXAUSA-N 1 0 357.454 2.252 50 0 FEAARO Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000047226905 540297747 /nfs/dbraw/zinc/29/77/47/540297747.db2.gz HKUUUIIRVAPQDG-DLBZAZTESA-N 1 0 361.511 2.410 50 0 FEAARO COCC(=O)Nc1cccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000047487968 540313584 /nfs/dbraw/zinc/31/35/84/540313584.db2.gz XYFMVJHXENTCQD-UHFFFAOYSA-N 1 0 360.458 2.364 50 0 FEAARO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3ccccc3O)c2)CC1 ZINC000053996595 540563968 /nfs/dbraw/zinc/56/39/68/540563968.db2.gz LKHFTWRLCZCVDE-UHFFFAOYSA-N 1 0 353.422 2.342 50 0 FEAARO C[C@H]([NH3+])c1nc(CC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)n[nH]1 ZINC000055132253 540630751 /nfs/dbraw/zinc/63/07/51/540630751.db2.gz ZNQYHSUNHAUYDP-NSHDSACASA-N 1 0 357.414 2.105 50 0 FEAARO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccn2)C1 ZINC000055310073 540645793 /nfs/dbraw/zinc/64/57/93/540645793.db2.gz SUKUUBGWBFMGCX-OAHLLOKOSA-N 1 0 352.438 2.292 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@@H](c3ccccc3Br)C2)C1 ZINC000237956695 209356070 /nfs/dbraw/zinc/35/60/70/209356070.db2.gz AJENGRWWXJAVMB-YWPYICTPSA-N 1 0 353.260 2.476 50 0 FEAARO [NH3+][C@@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000237910224 209355696 /nfs/dbraw/zinc/35/56/96/209355696.db2.gz RJYZSACUMQEIOT-CQSZACIVSA-N 1 0 353.260 2.057 50 0 FEAARO CCOc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1 ZINC000058203428 540833678 /nfs/dbraw/zinc/83/36/78/540833678.db2.gz IBXCIZKNGSGCPQ-UHFFFAOYSA-N 1 0 350.459 2.431 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1-n1cnnn1)c1ccco1 ZINC000058210408 540833875 /nfs/dbraw/zinc/83/38/75/540833875.db2.gz NFKATQIIYZVBOD-MRXNPFEDSA-N 1 0 354.414 2.068 50 0 FEAARO CN1C(=O)CC[C@H](C(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237061161 209331518 /nfs/dbraw/zinc/33/15/18/209331518.db2.gz GPZVORKUHLCYNW-GOEBONIOSA-N 1 0 369.387 2.047 50 0 FEAARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@@H](C)O1 ZINC000049662043 209339687 /nfs/dbraw/zinc/33/96/87/209339687.db2.gz AGRFRTKLCPEWTJ-NKXDDCMHSA-N 1 0 363.498 2.381 50 0 FEAARO CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000237032913 209324316 /nfs/dbraw/zinc/32/43/16/209324316.db2.gz WQENKSUZZFZIQS-CJNGLKHVSA-N 1 0 361.873 2.293 50 0 FEAARO CCCCc1nc(Cl)c(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)[nH]1 ZINC000107404009 209276457 /nfs/dbraw/zinc/27/64/57/209276457.db2.gz HTTWRIJOMWONNS-GOSISDBHSA-N 1 0 367.925 2.192 50 0 FEAARO Cc1c(C[NH2+]CCCc2csc(N)n2)c2ccccc2n1CC(N)=O ZINC000063857210 541189564 /nfs/dbraw/zinc/18/95/64/541189564.db2.gz JIAXNVHWHBRXQM-UHFFFAOYSA-N 1 0 357.483 2.196 50 0 FEAARO CCNC(=O)[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3nnc(C)s3)cc2)C1 ZINC000065397574 541236409 /nfs/dbraw/zinc/23/64/09/541236409.db2.gz YUVRSTZXQBPXRM-HNNXBMFYSA-N 1 0 373.482 2.057 50 0 FEAARO C[NH+](C)[C@H]1CN(C(=O)c2cccc(NCc3ccc(F)cc3)c2)C[C@@H]1O ZINC000065456371 541239168 /nfs/dbraw/zinc/23/91/68/541239168.db2.gz LFPPLRORAGBBAH-OALUTQOASA-N 1 0 357.429 2.185 50 0 FEAARO O=C(NCC1CCOCC1)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065506011 541241348 /nfs/dbraw/zinc/24/13/48/541241348.db2.gz HIGIPZFGVLLZOR-UHFFFAOYSA-N 1 0 352.862 2.384 50 0 FEAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000065516058 541242416 /nfs/dbraw/zinc/24/24/16/541242416.db2.gz MTTYOOXQTKYKRJ-INIZCTEOSA-N 1 0 357.462 2.438 50 0 FEAARO COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000065551897 541244754 /nfs/dbraw/zinc/24/47/54/541244754.db2.gz CIQKYAMCYIIDGY-JTQLQIEISA-N 1 0 355.822 2.351 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000041361662 209237205 /nfs/dbraw/zinc/23/72/05/209237205.db2.gz SFBQTUSNDLHGFI-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO Cc1ccc2cccc(OCCNc3nc(N)nc4c3CC[NH2+]C4)c2n1 ZINC000067562923 541480577 /nfs/dbraw/zinc/48/05/77/541480577.db2.gz DFFIBASZIWQVJS-UHFFFAOYSA-N 1 0 350.426 2.052 50 0 FEAARO Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000067613306 541490042 /nfs/dbraw/zinc/49/00/42/541490042.db2.gz NNROTOYPDKIREX-UHFFFAOYSA-N 1 0 370.457 2.164 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000067674976 541497984 /nfs/dbraw/zinc/49/79/84/541497984.db2.gz JUKPYJKZAASFNX-YOEHRIQHSA-N 1 0 361.486 2.317 50 0 FEAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000067676248 541498081 /nfs/dbraw/zinc/49/80/81/541498081.db2.gz YCWHAHAOCZHRBW-UHFFFAOYSA-N 1 0 369.469 2.169 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3c(C)noc3C)cnn2c1 ZINC000067714578 541504345 /nfs/dbraw/zinc/50/43/45/541504345.db2.gz YHZGJCIRNYZCKY-UHFFFAOYSA-N 1 0 356.430 2.106 50 0 FEAARO O=S(=O)(c1ccc(-c2ccno2)s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000067725905 541505292 /nfs/dbraw/zinc/50/52/92/541505292.db2.gz LHDWOUHGVNGBBJ-UHFFFAOYSA-N 1 0 353.469 2.167 50 0 FEAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067774329 541511845 /nfs/dbraw/zinc/51/18/45/541511845.db2.gz UBJZXOZKKVNRRT-FQEVSTJZSA-N 1 0 362.518 2.440 50 0 FEAARO O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1F ZINC000100560601 209214499 /nfs/dbraw/zinc/21/44/99/209214499.db2.gz SFMXGQACAMBSIL-LJQANCHMSA-N 1 0 367.424 2.275 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 ZINC000097711659 209193248 /nfs/dbraw/zinc/19/32/48/209193248.db2.gz NSUQSNUXUSTIPO-GOSISDBHSA-N 1 0 364.461 2.135 50 0 FEAARO Cc1ccc2c(cc(C(=O)NCC[C@H]3CCC(=O)N3CC[NH+](C)C)n2C)c1 ZINC000097681839 209192534 /nfs/dbraw/zinc/19/25/34/209192534.db2.gz MIKRWMXXFHEURU-QGZVFWFLSA-N 1 0 370.497 2.159 50 0 FEAARO CNC(=O)Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000097572303 209187067 /nfs/dbraw/zinc/18/70/67/209187067.db2.gz KSYZSTACTNXUSR-UHFFFAOYSA-N 1 0 370.453 2.354 50 0 FEAARO C[NH+](C)CCN1C[C@@H](C(=O)NCc2cccc(-c3ccccc3)c2)CC1=O ZINC000097551469 209186619 /nfs/dbraw/zinc/18/66/19/209186619.db2.gz SFWDKHZEHSQXPE-FQEVSTJZSA-N 1 0 365.477 2.380 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCC(O)(c2ccccc2)CC1 ZINC000097514352 209184796 /nfs/dbraw/zinc/18/47/96/209184796.db2.gz OHWAHDAUGNHSIO-SFHVURJKSA-N 1 0 372.509 2.388 50 0 FEAARO Cc1c(C[N@@H+](C)[C@H](C)Cc2cnccn2)c(=O)n(-c2ccccc2)n1C ZINC000097475424 209183046 /nfs/dbraw/zinc/18/30/46/209183046.db2.gz OPRKIUHRZQATKE-OAHLLOKOSA-N 1 0 351.454 2.337 50 0 FEAARO Cn1c(=O)c2c(sc3c2-c2ccccc2CC3)n(CCC[NH+](C)C)c1=O ZINC000071279721 541765755 /nfs/dbraw/zinc/76/57/55/541765755.db2.gz YQQFKHJHORPARI-UHFFFAOYSA-N 1 0 369.490 2.479 50 0 FEAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]CC1(O)CCCCC1 ZINC000071278516 541766114 /nfs/dbraw/zinc/76/61/14/541766114.db2.gz DEONJSSKPZLSQW-QFIPXVFZSA-N 1 0 374.525 2.258 50 0 FEAARO CC(C)(CO)NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071404018 541766469 /nfs/dbraw/zinc/76/64/69/541766469.db2.gz CKMWKWSJJXTGAU-IBGZPJMESA-N 1 0 373.541 2.250 50 0 FEAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000071385169 541766854 /nfs/dbraw/zinc/76/68/54/541766854.db2.gz AMCHQJSQZPPCME-UHFFFAOYSA-N 1 0 367.515 2.388 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)C2=NNC(=O)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071419300 541767530 /nfs/dbraw/zinc/76/75/30/541767530.db2.gz TZKITRKZKZOLEN-SFHVURJKSA-N 1 0 374.460 2.151 50 0 FEAARO Cc1cccn2c(C[N@@H+]3CCC[C@@H](CO)C3)c(C(=O)N3CCCCC3)nc12 ZINC000071682069 541768192 /nfs/dbraw/zinc/76/81/92/541768192.db2.gz ABJYFJBYKXWPPU-QGZVFWFLSA-N 1 0 370.497 2.473 50 0 FEAARO CC(C)NC(=O)C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071721328 541769536 /nfs/dbraw/zinc/76/95/36/541769536.db2.gz COJNSHGYYJDPOC-GOSISDBHSA-N 1 0 363.477 2.409 50 0 FEAARO Cc1ccnn1CC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071753499 541770297 /nfs/dbraw/zinc/77/02/97/541770297.db2.gz XHTQFMKAYCWLOC-HMXCVIKNSA-N 1 0 350.466 2.280 50 0 FEAARO C[NH2+]CCN(C)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000071750819 541770746 /nfs/dbraw/zinc/77/07/46/541770746.db2.gz HGCYYHHGIGJJMB-UHFFFAOYSA-N 1 0 360.439 2.463 50 0 FEAARO CC[C@H](C[NH+](C)C)Nc1nc(-c2cccnc2)nc2c1CCN(C(C)=O)C2 ZINC000071762702 541771289 /nfs/dbraw/zinc/77/12/89/541771289.db2.gz SAANHWWYTBGZJT-MRXNPFEDSA-N 1 0 368.485 2.195 50 0 FEAARO COc1cccc([C@@H]2CN(S(=O)(=O)C3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072135306 541786249 /nfs/dbraw/zinc/78/62/49/541786249.db2.gz NEJHINBKYGIULG-IPMKNSEASA-N 1 0 362.495 2.049 50 0 FEAARO O=C(CCCc1cn[nH]c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072144875 541788171 /nfs/dbraw/zinc/78/81/71/541788171.db2.gz PUSDWVSTVSUFAU-HXUWFJFHSA-N 1 0 352.482 2.434 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000072153789 541791038 /nfs/dbraw/zinc/79/10/38/541791038.db2.gz NMHYICGZOWHUMA-INIZCTEOSA-N 1 0 359.857 2.465 50 0 FEAARO COC(C)(C)C(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072164733 541792909 /nfs/dbraw/zinc/79/29/09/541792909.db2.gz KNLGMPKZZKPQHN-KFKAGJAMSA-N 1 0 372.465 2.229 50 0 FEAARO CSCc1nc(CCn2ccnc2-c2cc3n(n2)CC[NH2+]C3)cs1 ZINC000072425235 541811119 /nfs/dbraw/zinc/81/11/19/541811119.db2.gz UJPCXDATWMKPGC-UHFFFAOYSA-N 1 0 360.512 2.412 50 0 FEAARO Cc1nccn1Cc1ccccc1-n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072423753 541809791 /nfs/dbraw/zinc/80/97/91/541809791.db2.gz ADFLPUXWLXRCTD-UHFFFAOYSA-N 1 0 359.437 2.392 50 0 FEAARO CC(C)CNC(=O)c1cccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)c1 ZINC000072424352 541810190 /nfs/dbraw/zinc/81/01/90/541810190.db2.gz NZGANIAGAWSPHU-UHFFFAOYSA-N 1 0 364.453 2.225 50 0 FEAARO CC(C)c1csc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)n1 ZINC000072426885 541810826 /nfs/dbraw/zinc/81/08/26/541810826.db2.gz SZRXLAPCEKTGKN-GOEBONIOSA-N 1 0 350.532 2.428 50 0 FEAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000072428827 541811892 /nfs/dbraw/zinc/81/18/92/541811892.db2.gz VEPIIYPLVSRWPH-KGLIPLIRSA-N 1 0 359.451 2.213 50 0 FEAARO COc1ncc(C[N@@H+]2CCc3nc(C)nc(NC4CCC4)c3CC2)cn1 ZINC000072429846 541812040 /nfs/dbraw/zinc/81/20/40/541812040.db2.gz INPYKQCISORBIV-UHFFFAOYSA-N 1 0 354.458 2.149 50 0 FEAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000072432684 541813365 /nfs/dbraw/zinc/81/33/65/541813365.db2.gz ABPGPPFTVDTHLV-CQSZACIVSA-N 1 0 352.862 2.167 50 0 FEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1)NC1CC1 ZINC000072433055 541813566 /nfs/dbraw/zinc/81/35/66/541813566.db2.gz LWIHSLVARWHSTL-NRFANRHFSA-N 1 0 355.482 2.170 50 0 FEAARO COc1ccccc1-n1cc(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)cn1 ZINC000072454563 541817176 /nfs/dbraw/zinc/81/71/76/541817176.db2.gz DMTYQBXYPVJZPK-UHFFFAOYSA-N 1 0 356.426 2.298 50 0 FEAARO Cc1nonc1CN(C)c1nc(-c2ccco2)nc2c1CC[N@H+](C)CC2 ZINC000072473302 541818528 /nfs/dbraw/zinc/81/85/28/541818528.db2.gz UIQXNJLHNYNDDI-UHFFFAOYSA-N 1 0 354.414 2.095 50 0 FEAARO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c2ccccn12 ZINC000072439424 541815374 /nfs/dbraw/zinc/81/53/74/541815374.db2.gz MBMWTGIPWUTKTH-MRXNPFEDSA-N 1 0 367.501 2.212 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cnc(N)nc1-c1ccccc1)CC[NH2+]C2 ZINC000072453570 541815659 /nfs/dbraw/zinc/81/56/59/541815659.db2.gz CPMGUNFWNWWUJZ-UHFFFAOYSA-N 1 0 374.448 2.005 50 0 FEAARO CCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]cn3)C2)on1 ZINC000072453571 541815700 /nfs/dbraw/zinc/81/57/00/541815700.db2.gz BGFNQHIEKQTKRU-KBXCAEBGSA-N 1 0 357.458 2.016 50 0 FEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(Br)cc1 ZINC000097230315 209175972 /nfs/dbraw/zinc/17/59/72/209175972.db2.gz DFKLMNPQPLXLDE-GJZGRUSLSA-N 1 0 355.276 2.425 50 0 FEAARO Cc1ccccc1[C@@H](CNC(=O)c1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC000097076625 209168286 /nfs/dbraw/zinc/16/82/86/209168286.db2.gz DBERZUWVYHAGTO-QGZVFWFLSA-N 1 0 350.426 2.208 50 0 FEAARO c1nn(CCN2CCOCC2)cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096166237 209130571 /nfs/dbraw/zinc/13/05/71/209130571.db2.gz SDRRYHMRABSQLB-UHFFFAOYSA-N 1 0 370.497 2.357 50 0 FEAARO CCCNc1ncc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cn1 ZINC000096163218 209129051 /nfs/dbraw/zinc/12/90/51/209129051.db2.gz RLPWNJLVKXXEQC-YLJYHZDGSA-N 1 0 354.454 2.269 50 0 FEAARO COc1ccc(-n2nc(-c3csc(C)n3)nc2C[C@@H]2C[NH2+]CCO2)cc1 ZINC000096148276 209123606 /nfs/dbraw/zinc/12/36/06/209123606.db2.gz LFFICBJSUNJPRH-OAHLLOKOSA-N 1 0 371.466 2.239 50 0 FEAARO O=C(Nc1cccc(N2CCCC2=O)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000096149798 209123354 /nfs/dbraw/zinc/12/33/54/209123354.db2.gz LDSMKRVMKGUUOW-UHFFFAOYSA-N 1 0 372.469 2.142 50 0 FEAARO COc1ccccc1Oc1ccc(NC(=O)NC[C@@]2(O)CC[NH2+]C2)cc1 ZINC000299790959 206650698 /nfs/dbraw/zinc/65/06/98/206650698.db2.gz BZDQKAVOLRMNRJ-LJQANCHMSA-N 1 0 357.410 2.333 50 0 FEAARO Cn1cc(SCC(=O)N2CCOC[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000299798527 206656193 /nfs/dbraw/zinc/65/61/93/206656193.db2.gz SUMVAXWQGIPYTP-OAHLLOKOSA-N 1 0 361.511 2.307 50 0 FEAARO Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)NCCC[NH+]1CCCC1 ZINC000002465461 206917037 /nfs/dbraw/zinc/91/70/37/206917037.db2.gz HDZMWMMINOLCFS-UHFFFAOYSA-N 1 0 366.465 2.246 50 0 FEAARO COc1cc([C@H]2SCC(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000004176875 207003810 /nfs/dbraw/zinc/00/38/10/207003810.db2.gz YSTZGPKPSRGSDF-QGZVFWFLSA-N 1 0 354.472 2.238 50 0 FEAARO COc1cccc(C[NH2+]C[C@H](O)COc2ccc(C(C)=O)cc2OC)c1 ZINC000006605271 207149148 /nfs/dbraw/zinc/14/91/48/207149148.db2.gz QXVNBRVVDGNTKI-KRWDZBQOSA-N 1 0 359.422 2.436 50 0 FEAARO CCOC(=O)c1c2c(sc1NC(=O)N1CC[NH2+]CC1)COC(C)(C)C2 ZINC000006661143 207153136 /nfs/dbraw/zinc/15/31/36/207153136.db2.gz GELLCOZMOJQPTF-UHFFFAOYSA-N 1 0 367.471 2.213 50 0 FEAARO COC(=O)c1ccc(C(=O)OC)c(NC(=O)C[NH+]2CCCCCCC2)c1 ZINC000006839508 207171272 /nfs/dbraw/zinc/17/12/72/207171272.db2.gz ZMGHTOGZYVCQSH-UHFFFAOYSA-N 1 0 362.426 2.464 50 0 FEAARO CCCC[N@H+](CC)CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937254 207180349 /nfs/dbraw/zinc/18/03/49/207180349.db2.gz FGSCHYDBHCLYRE-UHFFFAOYSA-N 1 0 369.469 2.116 50 0 FEAARO COc1ccccc1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000009873946 207288533 /nfs/dbraw/zinc/28/85/33/207288533.db2.gz CQSZNSLKHOLZRK-UHFFFAOYSA-N 1 0 360.458 2.033 50 0 FEAARO CC(=O)c1cccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)no2)c1 ZINC000011878788 207327224 /nfs/dbraw/zinc/32/72/24/207327224.db2.gz ZCZZMYCPQMBTRO-MRXNPFEDSA-N 1 0 369.421 2.376 50 0 FEAARO COc1ccccc1C[NH+]1CCC(n2cc(C(=O)NC(C)C)nn2)CC1 ZINC000011871651 207328139 /nfs/dbraw/zinc/32/81/39/207328139.db2.gz SSZKBQMUQJRMCS-UHFFFAOYSA-N 1 0 357.458 2.262 50 0 FEAARO CC[C@H](C)C[N@H+]1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000011880864 207328402 /nfs/dbraw/zinc/32/84/02/207328402.db2.gz AGTMKWUVEUFDIT-HNNXBMFYSA-N 1 0 373.476 2.180 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000012056093 207335375 /nfs/dbraw/zinc/33/53/75/207335375.db2.gz YWINVRSXVHZZMY-CQSZACIVSA-N 1 0 351.441 2.387 50 0 FEAARO O=C(NC1CCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000012306489 207357545 /nfs/dbraw/zinc/35/75/45/207357545.db2.gz MXSTWPOXPUUNJJ-SFHVURJKSA-N 1 0 356.514 2.427 50 0 FEAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012584716 207398662 /nfs/dbraw/zinc/39/86/62/207398662.db2.gz RAEBUMWRUFBGDE-QGZVFWFLSA-N 1 0 366.421 2.198 50 0 FEAARO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCC[NH+]1CCCCC1 ZINC000015772893 207565319 /nfs/dbraw/zinc/56/53/19/207565319.db2.gz HIZLRMBKDZAOGW-UHFFFAOYSA-N 1 0 354.454 2.400 50 0 FEAARO OCc1cn(CC2CC[NH+](Cc3ccc(C(F)(F)F)nc3)CC2)nn1 ZINC000020999741 207760929 /nfs/dbraw/zinc/76/09/29/207760929.db2.gz ZFHKLSXETGNLDT-UHFFFAOYSA-N 1 0 355.364 2.096 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cc(OC)ccc1OC ZINC000021868448 207785906 /nfs/dbraw/zinc/78/59/06/207785906.db2.gz VDMNSZJXCVEFFN-UHFFFAOYSA-N 1 0 374.437 2.370 50 0 FEAARO COc1ccc(C(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)cc1OC ZINC000077299840 542363432 /nfs/dbraw/zinc/36/34/32/542363432.db2.gz PLDJUVSCKIAMEF-UHFFFAOYSA-N 1 0 372.469 2.302 50 0 FEAARO Cc1cccc(C[NH+]2CCC(c3nnc(CN4CCOCC4)n3C)CC2)c1 ZINC000077298372 542363520 /nfs/dbraw/zinc/36/35/20/542363520.db2.gz YMYYLIHSQUQPRA-UHFFFAOYSA-N 1 0 369.513 2.335 50 0 FEAARO C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029835939 207997521 /nfs/dbraw/zinc/99/75/21/207997521.db2.gz HJLFUWASFISRHP-KBXCAEBGSA-N 1 0 357.429 2.363 50 0 FEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc(C)n3)cc2)CC1 ZINC000040115246 207962089 /nfs/dbraw/zinc/96/20/89/207962089.db2.gz LVBZPGHBHNTSNS-UHFFFAOYSA-N 1 0 352.482 2.458 50 0 FEAARO C[C@H](CC(=O)NCC[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccccc1 ZINC000031339548 208012200 /nfs/dbraw/zinc/01/22/00/208012200.db2.gz BICDDOOJSFRRCH-QGZVFWFLSA-N 1 0 365.477 2.370 50 0 FEAARO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(-c3ccc(C)cc3)on2)CC1 ZINC000032594121 208031322 /nfs/dbraw/zinc/03/13/22/208031322.db2.gz CUBRYZPSRYXIPW-MRXNPFEDSA-N 1 0 356.470 2.406 50 0 FEAARO COc1ccccc1[C@H](CNC(=O)CCNc1ncccn1)[NH+]1CCCC1 ZINC000032928322 208057375 /nfs/dbraw/zinc/05/73/75/208057375.db2.gz INQYKIQPWPLHPP-KRWDZBQOSA-N 1 0 369.469 2.241 50 0 FEAARO COC(=O)C1C(C[N@@H+]2CCC[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087023 208102258 /nfs/dbraw/zinc/10/22/58/208102258.db2.gz CESBUDCKGYCTQM-ACJLOTCBSA-N 1 0 373.453 2.208 50 0 FEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984041 208064142 /nfs/dbraw/zinc/06/41/42/208064142.db2.gz IXAIAJSQNSBMND-LDADJPATSA-N 1 0 351.406 2.350 50 0 FEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)cc2)c1 ZINC000033032788 208067485 /nfs/dbraw/zinc/06/74/85/208067485.db2.gz CXVPCKMDCMWTMU-UHFFFAOYSA-N 1 0 369.440 2.208 50 0 FEAARO C[NH+]1CCN(CCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033059864 208068747 /nfs/dbraw/zinc/06/87/47/208068747.db2.gz AXOIXJWITRGVFK-UHFFFAOYSA-N 1 0 369.494 2.064 50 0 FEAARO CCC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCCN(C(=O)NC)C3)c2)CC1 ZINC000033264545 208080103 /nfs/dbraw/zinc/08/01/03/208080103.db2.gz URDMNNRNYMKGJL-LJQANCHMSA-N 1 0 372.513 2.373 50 0 FEAARO O=C(NCc1nnc(-c2ccncc2)[nH]1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000039499973 208212527 /nfs/dbraw/zinc/21/25/27/208212527.db2.gz JRAXHGBPTDIYGL-GFCCVEGCSA-N 1 0 354.439 2.283 50 0 FEAARO Cc1nc2ccc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2nc1C ZINC000040012965 208217432 /nfs/dbraw/zinc/21/74/32/208217432.db2.gz AWJFUIYTKZYMJD-QGZVFWFLSA-N 1 0 356.470 2.333 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000040082101 208223829 /nfs/dbraw/zinc/22/38/29/208223829.db2.gz RIKSENJWSOQKEY-RTBURBONSA-N 1 0 357.498 2.448 50 0 FEAARO COc1ncccc1NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000040121643 208230874 /nfs/dbraw/zinc/23/08/74/208230874.db2.gz TVDWQQZJCJGBJV-UHFFFAOYSA-N 1 0 369.469 2.030 50 0 FEAARO Cc1cc(C)n2ncc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)c2n1 ZINC000045124130 208328081 /nfs/dbraw/zinc/32/80/81/208328081.db2.gz VGAGXAANKRFWGE-KRWDZBQOSA-N 1 0 351.454 2.249 50 0 FEAARO Cc1c(C[NH2+]CCNc2ncccc2C)c2ccccc2n1CC(N)=O ZINC000055099351 208464149 /nfs/dbraw/zinc/46/41/49/208464149.db2.gz CHWOBNDLWCRTAX-UHFFFAOYSA-N 1 0 351.454 2.340 50 0 FEAARO O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407092 542379367 /nfs/dbraw/zinc/37/93/67/542379367.db2.gz XIASKXHZIAIUQO-FQEVSTJZSA-N 1 0 354.454 2.140 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000077436814 542381520 /nfs/dbraw/zinc/38/15/20/542381520.db2.gz LIEGECLDACHWIG-UHFFFAOYSA-N 1 0 355.486 2.027 50 0 FEAARO COc1ccccc1OC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000077503606 542390157 /nfs/dbraw/zinc/39/01/57/542390157.db2.gz LHSXZUCRKXJHJR-MRXNPFEDSA-N 1 0 362.470 2.033 50 0 FEAARO [NH3+]C[C@H]1Cc2cc(-c3cncc(C(=O)N4CCCCC4)n3)cc(F)c2O1 ZINC000067649387 208714071 /nfs/dbraw/zinc/71/40/71/208714071.db2.gz YJEFNQNKCITLLX-CQSZACIVSA-N 1 0 356.401 2.171 50 0 FEAARO CC[C@@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1O ZINC000072439410 208863075 /nfs/dbraw/zinc/86/30/75/208863075.db2.gz HXLDLSUELGMTDJ-TZIWHRDSSA-N 1 0 360.498 2.411 50 0 FEAARO c1cncc(OCCCNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)c1 ZINC000072474008 208871420 /nfs/dbraw/zinc/87/14/20/208871420.db2.gz QITFRXPRPZUFCA-UHFFFAOYSA-N 1 0 354.458 2.015 50 0 FEAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077439251 208907985 /nfs/dbraw/zinc/90/79/85/208907985.db2.gz RKVJSMCZBMHQDB-HXUWFJFHSA-N 1 0 368.485 2.221 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1cnc2cc(Cl)ccc2c1O ZINC000082106221 208946246 /nfs/dbraw/zinc/94/62/46/208946246.db2.gz FFHHDMATVBLNRB-UHFFFAOYSA-N 1 0 371.828 2.214 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)c3cnc4ccc(F)cc4c3O)C[C@@H]2[NH3+])o1 ZINC000091476220 208979878 /nfs/dbraw/zinc/97/98/78/208979878.db2.gz ZWYQRINZEOPZKT-GJZGRUSLSA-N 1 0 355.369 2.136 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2 ZINC000091876899 209002211 /nfs/dbraw/zinc/00/22/11/209002211.db2.gz WEKSFTUHHXVSJV-MRXNPFEDSA-N 1 0 370.501 2.343 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)[nH]n1 ZINC000091914897 209003594 /nfs/dbraw/zinc/00/35/94/209003594.db2.gz DEVMWELGSARBMG-UHFFFAOYSA-N 1 0 356.474 2.087 50 0 FEAARO Cc1cc(N2C[C@H]3CC[C@@H](C2)C(=O)N3CC(=O)N(C)C)c2ccccc2[nH+]1 ZINC000091914910 209003832 /nfs/dbraw/zinc/00/38/32/209003832.db2.gz UPLIVDKNVWNPCG-JKSUJKDBSA-N 1 0 366.465 2.059 50 0 FEAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091934130 209005649 /nfs/dbraw/zinc/00/56/49/209005649.db2.gz RUCPXDIWRXHFEL-QGZVFWFLSA-N 1 0 356.470 2.286 50 0 FEAARO COCC[C@]1(O)CC[N@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)C[C@H]1C ZINC000092078003 209016199 /nfs/dbraw/zinc/01/61/99/209016199.db2.gz YEEAOXBATVXGMJ-BFUOFWGJSA-N 1 0 352.475 2.285 50 0 FEAARO COc1cccc(CC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095355070 209024760 /nfs/dbraw/zinc/02/47/60/209024760.db2.gz XLPZQHXEPKYEJU-GOSISDBHSA-N 1 0 370.497 2.402 50 0 FEAARO CC(C)[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1NS(=O)(=O)N(C)C ZINC000095362491 209028777 /nfs/dbraw/zinc/02/87/77/209028777.db2.gz HOBXIIZPYWSFAE-JQJPNHIOSA-N 1 0 351.516 2.052 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(C(=O)c2csc(C(C)C)c2)C[C@@H]1CO ZINC000092045996 209014384 /nfs/dbraw/zinc/01/43/84/209014384.db2.gz BOEYJDZBFSKZSZ-HZPDHXFCSA-N 1 0 354.516 2.130 50 0 FEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCOc2ccc(CO)cc2C1 ZINC000095369841 209032333 /nfs/dbraw/zinc/03/23/33/209032333.db2.gz MPMLTDCFNKXSMF-UHFFFAOYSA-N 1 0 370.449 2.405 50 0 FEAARO CC(C)NC(=O)CCN1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095373780 209034813 /nfs/dbraw/zinc/03/48/13/209034813.db2.gz NXOMYCAMIYVQFX-YLJYHZDGSA-N 1 0 355.526 2.465 50 0 FEAARO Cc1nc(CC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cs1 ZINC000095374581 209037123 /nfs/dbraw/zinc/03/71/23/209037123.db2.gz OSSYWDSUHXIOQA-OAHLLOKOSA-N 1 0 361.515 2.158 50 0 FEAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000095390886 209046405 /nfs/dbraw/zinc/04/64/05/209046405.db2.gz KXSLJWOYBHZCFZ-IBGZPJMESA-N 1 0 369.509 2.337 50 0 FEAARO O=C(NCc1nc(-c2cccnc2)no1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095380122 209040321 /nfs/dbraw/zinc/04/03/21/209040321.db2.gz YQJUMMGTQFDHQH-HNNXBMFYSA-N 1 0 367.409 2.253 50 0 FEAARO O=C(NCc1noc(C2CCCC2)n1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384785 209041585 /nfs/dbraw/zinc/04/15/85/209041585.db2.gz KOZVCOHYTULFPU-OAHLLOKOSA-N 1 0 362.474 2.234 50 0 FEAARO O=C(NCCN1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095382722 209042396 /nfs/dbraw/zinc/04/23/96/209042396.db2.gz GFHJQYMBVNFYBB-GOSISDBHSA-N 1 0 357.498 2.056 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000095384499 209043016 /nfs/dbraw/zinc/04/30/16/209043016.db2.gz VIQBPYTXTDQCBR-HNNXBMFYSA-N 1 0 370.501 2.066 50 0 FEAARO c1cn(-c2ccccc2)nc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000095452910 209051857 /nfs/dbraw/zinc/05/18/57/209051857.db2.gz VGWUWTYAXMLXEJ-IBGZPJMESA-N 1 0 358.511 2.170 50 0 FEAARO O=S(=O)(Cc1ccccc1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000095459900 209053243 /nfs/dbraw/zinc/05/32/43/209053243.db2.gz IELFXRVZFHKJPY-UHFFFAOYSA-N 1 0 374.506 2.263 50 0 FEAARO Cc1ccc(F)c(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000095461257 209053738 /nfs/dbraw/zinc/05/37/38/209053738.db2.gz GUQSUVMJZNDFLN-UHFFFAOYSA-N 1 0 373.432 2.394 50 0 FEAARO O=C(NCCc1cccc(F)c1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000095958691 209089501 /nfs/dbraw/zinc/08/95/01/209089501.db2.gz LVNLXVPHPAPJOX-UHFFFAOYSA-N 1 0 367.440 2.261 50 0 FEAARO O[C@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)CN1CCOCC1 ZINC000095509282 209067287 /nfs/dbraw/zinc/06/72/87/209067287.db2.gz LVCNNKKOBMDEQT-IBGZPJMESA-N 1 0 360.498 2.277 50 0 FEAARO O=C(Nc1ccc(-n2cnnn2)cc1)C1CC[NH+](C2CCSCC2)CC1 ZINC000095509189 209067637 /nfs/dbraw/zinc/06/76/37/209067637.db2.gz VMEMASFLBDBGAH-UHFFFAOYSA-N 1 0 372.498 2.208 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000085469728 542728178 /nfs/dbraw/zinc/72/81/78/542728178.db2.gz YHYZUJIYKPCZLR-QGZVFWFLSA-N 1 0 352.434 2.320 50 0 FEAARO Cc1nc(C(C)C)cc(N2CCC([NH2+]CCSc3c[nH]nn3)CC2)n1 ZINC000095530439 132214965 /nfs/dbraw/zinc/21/49/65/132214965.db2.gz MHKUEHURXROHDF-UHFFFAOYSA-N 1 0 361.519 2.377 50 0 FEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000237863500 132248369 /nfs/dbraw/zinc/24/83/69/132248369.db2.gz YWKHADZMWBWONR-TZMCWYRMSA-N 1 0 367.291 2.010 50 0 FEAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000237718162 132248568 /nfs/dbraw/zinc/24/85/68/132248568.db2.gz IRKUMAIDTGSHPA-UHFFFAOYSA-N 1 0 351.454 2.435 50 0 FEAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCN(c2cnccn2)CC1 ZINC000193169125 132266913 /nfs/dbraw/zinc/26/69/13/132266913.db2.gz ZPJQULYCDAZKGT-UHFFFAOYSA-N 1 0 365.481 2.005 50 0 FEAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCOC4(CCCC4)C3)nc(N3CCCC3)n2)C1 ZINC000244723770 132290417 /nfs/dbraw/zinc/29/04/17/132290417.db2.gz MHCWLFMLBVGHNI-IYBDPMFKSA-N 1 0 357.502 2.431 50 0 FEAARO Cc1ccc(C(=O)N2CCN(c3cccnc3)CC2)cc1OCCC[NH3+] ZINC000299776101 132299098 /nfs/dbraw/zinc/29/90/98/132299098.db2.gz KDTKNVFWQSAVIM-UHFFFAOYSA-N 1 0 354.454 2.080 50 0 FEAARO CCc1cc(N2CC[NH+](C[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)ncn1 ZINC000299791149 132300362 /nfs/dbraw/zinc/30/03/62/132300362.db2.gz DTMPYWPYOHMEFA-KRWDZBQOSA-N 1 0 365.481 2.214 50 0 FEAARO C[N@@H+]1CCCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC1 ZINC000091365215 542805558 /nfs/dbraw/zinc/80/55/58/542805558.db2.gz KFRWJPQSVCOAOV-UHFFFAOYSA-N 1 0 370.497 2.015 50 0 FEAARO CSc1ccccc1NC(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091326942 542805600 /nfs/dbraw/zinc/80/56/00/542805600.db2.gz NIGLBCJTRWJLNV-SFHVURJKSA-N 1 0 362.499 2.227 50 0 FEAARO COc1ccc(-c2ccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)c(=O)[nH]2)cc1 ZINC000091417038 542806411 /nfs/dbraw/zinc/80/64/11/542806411.db2.gz VTXLRBBCWDWABE-GDBMZVCRSA-N 1 0 367.449 2.217 50 0 FEAARO COc1c(F)cc(CN2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000091526117 542811490 /nfs/dbraw/zinc/81/14/90/542811490.db2.gz QATLFXUHVRDHIY-SFHVURJKSA-N 1 0 369.868 2.274 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cncnc3)C2)CN1CCc1ccccn1 ZINC000091663214 542818712 /nfs/dbraw/zinc/81/87/12/542818712.db2.gz QZKVCTZDGPSOKK-OAQYLSRUSA-N 1 0 365.481 2.319 50 0 FEAARO NC(=O)CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000092660702 542879444 /nfs/dbraw/zinc/87/94/44/542879444.db2.gz DUFOIEYSSYRKAN-AWEZNQCLSA-N 1 0 370.453 2.325 50 0 FEAARO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc1 ZINC000071775645 136141122 /nfs/dbraw/zinc/14/11/22/136141122.db2.gz NHTPSDXRKIKARD-QGZVFWFLSA-N 1 0 370.497 2.244 50 0 FEAARO CCc1nc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)ncc1C ZINC000072453682 136148215 /nfs/dbraw/zinc/14/82/15/136148215.db2.gz MACSHINCWNPFSH-HXUWFJFHSA-N 1 0 359.518 2.118 50 0 FEAARO CC(C)Cc1noc([C@@H]2CCCN(c3ncnc4c3CC[NH2+]CC4)C2)n1 ZINC000072473387 136148978 /nfs/dbraw/zinc/14/89/78/136148978.db2.gz QBCFSSHKEGZVHG-CQSZACIVSA-N 1 0 356.474 2.130 50 0 FEAARO CC[N@@H+]1CCC[C@@H](CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)C1 ZINC000095961966 542984681 /nfs/dbraw/zinc/98/46/81/542984681.db2.gz BGJPXUSHUPAAMJ-AWEZNQCLSA-N 1 0 352.442 2.253 50 0 FEAARO O=C(C1CC1)N1C[C@H]2[C@H](C[NH+]3CCC(OCc4cccnc4)CC3)[C@H]2C1 ZINC000102780952 543080260 /nfs/dbraw/zinc/08/02/60/543080260.db2.gz OZDYBWQZTPAIHG-OWZKRDHZSA-N 1 0 355.482 2.177 50 0 FEAARO COc1nc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc2ccccc21 ZINC000112921349 543468426 /nfs/dbraw/zinc/46/84/26/543468426.db2.gz JVTOVBYWEYNELI-UHFFFAOYSA-N 1 0 370.497 2.341 50 0 FEAARO O=C(NC[C@@H]1COc2ccccc2C1)C1CC[NH+](C2CCOCC2)CC1 ZINC000095526473 209075485 /nfs/dbraw/zinc/07/54/85/209075485.db2.gz BNWRICOSAZFABY-MRXNPFEDSA-N 1 0 358.482 2.245 50 0 FEAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000123584606 543770224 /nfs/dbraw/zinc/77/02/24/543770224.db2.gz LAVWHJOQBWDSMM-SECBINFHSA-N 1 0 373.194 2.190 50 0 FEAARO C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C[C@H](C)[NH2+]1 ZINC000153816760 544828280 /nfs/dbraw/zinc/82/82/80/544828280.db2.gz IYKNQWUSMHCPNO-GJZGRUSLSA-N 1 0 367.449 2.187 50 0 FEAARO CC(C)(CNC(=O)c1cccc(C(N)=O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000025465037 263388471 /nfs/dbraw/zinc/38/84/71/263388471.db2.gz AVKXIQMXGNHFTI-UHFFFAOYSA-N 1 0 351.450 2.352 50 0 FEAARO COc1ccc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)c(OCC[NH3+])c1 ZINC000426399479 263577591 /nfs/dbraw/zinc/57/75/91/263577591.db2.gz YIRAJFPHPQUHMM-OAHLLOKOSA-N 1 0 369.343 2.461 50 0 FEAARO C[NH+](C)Cc1cc(CNC(=O)[C@@H]2COCCN2C2CCCC2)ccc1F ZINC000189022749 328124046 /nfs/dbraw/zinc/12/40/46/328124046.db2.gz PRJMFODMQRVMOR-IBGZPJMESA-N 1 0 363.477 2.147 50 0 FEAARO c1ccc(Cc2noc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000011760877 324372076 /nfs/dbraw/zinc/37/20/76/324372076.db2.gz IOMODRVRWTXPDH-SFHVURJKSA-N 1 0 356.470 2.205 50 0 FEAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C[NH3+])CC1 ZINC000236756192 328493505 /nfs/dbraw/zinc/49/35/05/328493505.db2.gz UUJNNVMRPIGUJU-INIZCTEOSA-N 1 0 351.878 2.292 50 0 FEAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)N[C@H]1CCOc2ccccc21 ZINC000171644883 327151163 /nfs/dbraw/zinc/15/11/63/327151163.db2.gz ASVUNIVSSXAIDK-AEFFLSMTSA-N 1 0 366.465 2.455 50 0 FEAARO Cn1cc([C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)cn1 ZINC000267634984 329345385 /nfs/dbraw/zinc/34/53/85/329345385.db2.gz GLLQFYMRTZAFMB-VQTJNVASSA-N 1 0 368.481 2.375 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)Cc3nc4ccccc4[nH]3)cc2C1 ZINC000082108441 519855046 /nfs/dbraw/zinc/85/50/46/519855046.db2.gz VQUXSBKLRKUNNK-UHFFFAOYSA-N 1 0 366.469 2.234 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl ZINC000086962099 520682872 /nfs/dbraw/zinc/68/28/72/520682872.db2.gz CBOPJWXMIGGTLW-UHFFFAOYSA-N 1 0 367.298 2.469 50 0 FEAARO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000019872236 522460008 /nfs/dbraw/zinc/46/00/08/522460008.db2.gz NGLCHEPALNJYFG-OAHLLOKOSA-N 1 0 364.829 2.036 50 0 FEAARO CCc1c(C(=O)N2CCC[C@H]([NH2+]C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000151042426 523687573 /nfs/dbraw/zinc/68/75/73/523687573.db2.gz XSULWJDQKGVGCI-HNNXBMFYSA-N 1 0 371.485 2.441 50 0 FEAARO CN(C(=O)c1ccccc1CS(=O)(=O)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179051956 523948783 /nfs/dbraw/zinc/94/87/83/523948783.db2.gz BHPQNYRPLINTFS-INIZCTEOSA-N 1 0 358.463 2.094 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1F ZINC000082092781 524029652 /nfs/dbraw/zinc/02/96/52/524029652.db2.gz FTLGQSZKJUVHQC-HXUWFJFHSA-N 1 0 364.461 2.421 50 0 FEAARO COc1ccc(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(OC)c1 ZINC000020532071 524540679 /nfs/dbraw/zinc/54/06/79/524540679.db2.gz AXDNZFIRMJFWAB-UHFFFAOYSA-N 1 0 363.458 2.280 50 0 FEAARO C[C@H]1CN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC[NH2+]1 ZINC000155185665 524552421 /nfs/dbraw/zinc/55/24/21/524552421.db2.gz UFLKMRXDWYTURQ-JTQLQIEISA-N 1 0 367.222 2.208 50 0 FEAARO Cc1cc(N2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)nc(N)[nH+]1 ZINC000091504950 525076431 /nfs/dbraw/zinc/07/64/31/525076431.db2.gz NSVPBAZQKJCREO-INIZCTEOSA-N 1 0 351.454 2.136 50 0 FEAARO Cc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)C3CCC3)n2CC1 ZINC000020916688 525146233 /nfs/dbraw/zinc/14/62/33/525146233.db2.gz ZNVFBYACGATEJU-UHFFFAOYSA-N 1 0 367.497 2.104 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000153570348 525595501 /nfs/dbraw/zinc/59/55/01/525595501.db2.gz QMTAXAFENCZKQB-OKILXGFUSA-N 1 0 357.458 2.185 50 0 FEAARO COc1cccc(C[NH+]2CCC(c3nnc(Cn4ccnc4)n3C)CC2)c1 ZINC000091643494 525935458 /nfs/dbraw/zinc/93/54/58/525935458.db2.gz OSHCAURTTCOKAE-UHFFFAOYSA-N 1 0 366.469 2.448 50 0 FEAARO Cc1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091663555 526140672 /nfs/dbraw/zinc/14/06/72/526140672.db2.gz APHWBCIOOPJCJI-PIKOESSRSA-N 1 0 360.498 2.093 50 0 FEAARO O=C(NCCCSc1ccccc1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000216487573 526268921 /nfs/dbraw/zinc/26/89/21/526268921.db2.gz BOQRCHLJYHGITG-HNNXBMFYSA-N 1 0 359.499 2.190 50 0 FEAARO O=C(NCc1ccccc1COc1ccccc1Cl)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000238007971 526746050 /nfs/dbraw/zinc/74/60/50/526746050.db2.gz MXMDZZSAFXBUIE-NVXWUHKLSA-N 1 0 360.841 2.258 50 0 FEAARO O=C(c1cccc(Cn2cccn2)c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091468493 526763230 /nfs/dbraw/zinc/76/32/30/526763230.db2.gz UXBSGSGUSPIFLX-FQEVSTJZSA-N 1 0 368.481 2.258 50 0 FEAARO O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000082115998 526878415 /nfs/dbraw/zinc/87/84/15/526878415.db2.gz ILWRWKKKHWRWPD-QGZVFWFLSA-N 1 0 367.449 2.413 50 0 FEAARO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)NCc1ccco1 ZINC000079501877 527002923 /nfs/dbraw/zinc/00/29/23/527002923.db2.gz RESFJZMUCLKXEN-UHFFFAOYSA-N 1 0 360.410 2.304 50 0 FEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000269229497 527350141 /nfs/dbraw/zinc/35/01/41/527350141.db2.gz HQBUMUOATUSKEL-IIDMSEBBSA-N 1 0 365.905 2.347 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(c3cc(C4CC4)ncn3)C[C@@H]2CCO)CC1 ZINC000072473657 535156009 /nfs/dbraw/zinc/15/60/09/535156009.db2.gz HDDPFPCYTNKMCN-IBGZPJMESA-N 1 0 373.545 2.100 50 0 FEAARO COc1ccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000070895849 536734850 /nfs/dbraw/zinc/73/48/50/536734850.db2.gz PWHLDBHIJGPQDG-UHFFFAOYSA-N 1 0 368.437 2.062 50 0 FEAARO COCC[NH+]1CCC(N2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1 ZINC000252509144 536857602 /nfs/dbraw/zinc/85/76/02/536857602.db2.gz YDFDWOMJHAZULV-UHFFFAOYSA-N 1 0 372.435 2.333 50 0 FEAARO O=C(NC[C@@H]1COC2(CCCCCC2)O1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000170592322 546161687 /nfs/dbraw/zinc/16/16/87/546161687.db2.gz IJFFBLWFVWDCFG-MSOLQXFVSA-N 1 0 366.502 2.212 50 0 FEAARO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000171239861 546198823 /nfs/dbraw/zinc/19/88/23/546198823.db2.gz GGKHGNDSFSDSLG-SFHVURJKSA-N 1 0 360.502 2.007 50 0 FEAARO CN(CCc1ccncc1)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000175757273 546344015 /nfs/dbraw/zinc/34/40/15/546344015.db2.gz BEFYEYLSNQDNJL-HXUWFJFHSA-N 1 0 353.466 2.374 50 0 FEAARO O=C(NCC1CCN(CC(F)(F)F)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000187286830 548254929 /nfs/dbraw/zinc/25/49/29/548254929.db2.gz RKYITDXCTUBCIF-UHFFFAOYSA-N 1 0 362.440 2.187 50 0 FEAARO O=c1oc2ccccc2n1CC[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000215215791 548669664 /nfs/dbraw/zinc/66/96/64/548669664.db2.gz QFIXBIBOXMTQGF-LJQANCHMSA-N 1 0 353.422 2.435 50 0 FEAARO Cc1nccn1CCC[N@@H+]1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000219990084 548697271 /nfs/dbraw/zinc/69/72/71/548697271.db2.gz OYXQYLXEPCRTNS-UHFFFAOYSA-N 1 0 364.453 2.129 50 0 FEAARO Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000219935202 548697500 /nfs/dbraw/zinc/69/75/00/548697500.db2.gz FPYRNZAWTPMBLU-AWEZNQCLSA-N 1 0 355.486 2.265 50 0 FEAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccnc4ccccc43)C2)CC1 ZINC000221397034 548704942 /nfs/dbraw/zinc/70/49/42/548704942.db2.gz ZXNUZNPWVYFHMW-KRWDZBQOSA-N 1 0 352.482 2.334 50 0 FEAARO Cc1nc(CCNC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc2c1CCC2 ZINC000222791699 548712351 /nfs/dbraw/zinc/71/23/51/548712351.db2.gz BSHBXOUUDVMXIU-GOSISDBHSA-N 1 0 364.493 2.422 50 0 FEAARO CN(Cc1nccn1Cc1ccccc1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223004051 548714570 /nfs/dbraw/zinc/71/45/70/548714570.db2.gz MQMMPVDKTIALDH-UHFFFAOYSA-N 1 0 363.469 2.145 50 0 FEAARO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000223506640 548720987 /nfs/dbraw/zinc/72/09/87/548720987.db2.gz FQYITJKXUFMAQS-IBGZPJMESA-N 1 0 360.454 2.028 50 0 FEAARO CN(C)c1ccc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)cc1 ZINC000223903500 548725642 /nfs/dbraw/zinc/72/56/42/548725642.db2.gz UXCZFCDCWGOUSZ-GFOJFJKKSA-N 1 0 357.498 2.053 50 0 FEAARO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC000225505372 548736976 /nfs/dbraw/zinc/73/69/76/548736976.db2.gz MACKMUBQTVVGCE-UHFFFAOYSA-N 1 0 362.590 2.344 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(C(N)=O)c(Cl)n2)C1 ZINC000225801863 548743995 /nfs/dbraw/zinc/74/39/95/548743995.db2.gz UGHQYTVNMWLOFO-TXEJJXNPSA-N 1 0 366.893 2.320 50 0 FEAARO COc1ccc([C@H](CNC(=O)[C@@H]2CCCC23OCCO3)[NH+]2CCCC2)cc1 ZINC000225807426 548744088 /nfs/dbraw/zinc/74/40/88/548744088.db2.gz YIASKCPTYUXNIF-OALUTQOASA-N 1 0 374.481 2.492 50 0 FEAARO Cc1c(C(=O)N(C)C2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1F ZINC000237117802 548801837 /nfs/dbraw/zinc/80/18/37/548801837.db2.gz QEDICILOAIGJGK-UHFFFAOYSA-N 1 0 351.813 2.192 50 0 FEAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000237514977 548831580 /nfs/dbraw/zinc/83/15/80/548831580.db2.gz HDNYJNQMCWCCGA-UWVGGRQHSA-N 1 0 364.243 2.242 50 0 FEAARO COCCn1c(CN2C(=O)CCC3=C2CCCC3)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244594033 548890614 /nfs/dbraw/zinc/89/06/14/548890614.db2.gz DFINNQCVDUTIRB-SHTZXODSSA-N 1 0 359.474 2.080 50 0 FEAARO C[C@H](C(=O)N1CCN(Cc2ccccc2CO)CC1)[NH+]1CCCCCC1 ZINC000244633492 548891929 /nfs/dbraw/zinc/89/19/29/548891929.db2.gz GDZDCWVTILBIMP-GOSISDBHSA-N 1 0 359.514 2.088 50 0 FEAARO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)on1 ZINC000244678950 548892287 /nfs/dbraw/zinc/89/22/87/548892287.db2.gz IMXBKCQPTGJBTA-HNNXBMFYSA-N 1 0 355.398 2.318 50 0 FEAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000244707921 548893009 /nfs/dbraw/zinc/89/30/09/548893009.db2.gz KKAWOLQPCFUFRT-SFTDATJTSA-N 1 0 371.525 2.268 50 0 FEAARO O=C(CC[NH+]1CCC2(CC1)CCNC(=O)CC2)NCc1ccccc1F ZINC000244724620 548893974 /nfs/dbraw/zinc/89/39/74/548893974.db2.gz MXKUDHGKNMYSOJ-UHFFFAOYSA-N 1 0 361.461 2.214 50 0 FEAARO CC(C)c1noc(CN2CCc3nnc(Cc4ccccc4)n3CC2)n1 ZINC000244787696 548894575 /nfs/dbraw/zinc/89/45/75/548894575.db2.gz QBWVCSWEYOTPCZ-UHFFFAOYSA-N 1 0 352.442 2.434 50 0 FEAARO COc1cncc([C@H](NC(=O)C2([NH+]3CCCC3)CCCC2)[C@H]2C[C@H](O)C2)c1 ZINC000244866570 548897454 /nfs/dbraw/zinc/89/74/54/548897454.db2.gz VYLXXFWNWCONEE-SZVBFZGTSA-N 1 0 373.497 2.427 50 0 FEAARO CC(C)C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2F)C[C@H]1CCO ZINC000252489416 549669017 /nfs/dbraw/zinc/66/90/17/549669017.db2.gz JQOVUGBLTAYBHT-OAHLLOKOSA-N 1 0 371.884 2.442 50 0 FEAARO COc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(OCC2CC2)c1 ZINC000252506662 549671185 /nfs/dbraw/zinc/67/11/85/549671185.db2.gz WCDWKYWHGNVDBM-MRXNPFEDSA-N 1 0 362.470 2.061 50 0 FEAARO CCc1nnc(NC(=O)CCN2CC[NH+](C3CCCCC3)CC2)s1 ZINC000252502783 549671418 /nfs/dbraw/zinc/67/14/18/549671418.db2.gz USYYAXRDXBYZBS-UHFFFAOYSA-N 1 0 351.520 2.379 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000253414665 549687409 /nfs/dbraw/zinc/68/74/09/549687409.db2.gz YDTPMMLDERXFRH-PKOBYXMFSA-N 1 0 355.482 2.365 50 0 FEAARO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000253425209 549688706 /nfs/dbraw/zinc/68/87/06/549688706.db2.gz QZDUBESUPLIEIU-INIZCTEOSA-N 1 0 353.488 2.227 50 0 FEAARO O=C(NC[C@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2)N1CCCC1 ZINC000257177577 549711469 /nfs/dbraw/zinc/71/14/69/549711469.db2.gz XEZKLUFWNXDFKZ-SFHVURJKSA-N 1 0 358.486 2.116 50 0 FEAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000257195780 549716629 /nfs/dbraw/zinc/71/66/29/549716629.db2.gz WWUUPECBMFALIZ-GOSISDBHSA-N 1 0 369.465 2.319 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000299754461 553610250 /nfs/dbraw/zinc/61/02/50/553610250.db2.gz RGKJYGWNNAUGDM-OALUTQOASA-N 1 0 368.485 2.058 50 0 FEAARO Cc1nc(SCC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)n[nH]1 ZINC000299757702 553610785 /nfs/dbraw/zinc/61/07/85/553610785.db2.gz ALUZCTTYBYOFTA-HNNXBMFYSA-N 1 0 359.499 2.119 50 0 FEAARO O=C(NCCSc1c[nH]nn1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299762767 553611668 /nfs/dbraw/zinc/61/16/68/553611668.db2.gz XQCXFVOPIGRNKJ-XHSDSOJGSA-N 1 0 357.483 2.239 50 0 FEAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2ccncc2)c2ccccc2C)CC1 ZINC000299769621 553612268 /nfs/dbraw/zinc/61/22/68/553612268.db2.gz SQCNHDPTDRXGEV-NRFANRHFSA-N 1 0 352.482 2.233 50 0 FEAARO CN(CC(=O)NCc1cc(-c2ccccc2Cl)on1)C1CC[NH2+]CC1 ZINC000299776838 553613720 /nfs/dbraw/zinc/61/37/20/553613720.db2.gz HKWVMTWKCBZTHJ-UHFFFAOYSA-N 1 0 362.861 2.295 50 0 FEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cncnc2)c1 ZINC000299779763 553613731 /nfs/dbraw/zinc/61/37/31/553613731.db2.gz QIZJMKZHLFDPNM-LJQANCHMSA-N 1 0 354.454 2.326 50 0 FEAARO O=C(Cc1cnc[nH]c1=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299786897 553614582 /nfs/dbraw/zinc/61/45/82/553614582.db2.gz UNZBTXGYKRSBNI-SFHVURJKSA-N 1 0 354.454 2.458 50 0 FEAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)Nc3cccc(C(N)=O)c3)O2)CC1 ZINC000299803141 553617185 /nfs/dbraw/zinc/61/71/85/553617185.db2.gz XZMXCDPGOJKUBJ-QGZVFWFLSA-N 1 0 374.485 2.329 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccccc2-n2cnnc2)CC1 ZINC000426487647 559735510 /nfs/dbraw/zinc/73/55/10/559735510.db2.gz WJCMHOHMLZUIJB-UHFFFAOYSA-N 1 0 362.437 2.323 50 0 FEAARO CN(Cc1cccc2cnccc21)C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000426484942 559735534 /nfs/dbraw/zinc/73/55/34/559735534.db2.gz YFOUQXBDOUZWPX-GOSISDBHSA-N 1 0 356.470 2.223 50 0 FEAARO C[N@H+](CCNc1cc([C@@H]2CCOC2)ncn1)Cc1ccc2ccccc2n1 ZINC000426489821 559735747 /nfs/dbraw/zinc/73/57/47/559735747.db2.gz XIXNBQSHPGSCAE-QGZVFWFLSA-N 1 0 363.465 3.073 50 0 FEAARO Nc1cccc(-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CO)cc2)n1 ZINC000426667174 559739872 /nfs/dbraw/zinc/73/98/72/559739872.db2.gz YGPAHBRCVQPOGC-SFHVURJKSA-N 1 0 368.481 2.298 50 0 FEAARO CCCc1nc(C)c(CNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)s1 ZINC000426667396 559739906 /nfs/dbraw/zinc/73/99/06/559739906.db2.gz GUFAXJJZZSSYTC-AWEZNQCLSA-N 1 0 361.515 2.384 50 0 FEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccnc(N)n3)cc2)C1 ZINC000426677883 559740201 /nfs/dbraw/zinc/74/02/01/559740201.db2.gz WYOJHACROCCLNJ-AWEZNQCLSA-N 1 0 351.454 2.425 50 0 FEAARO CCn1cc(-c2ccc(C(=O)NC[C@H]3CC[N@H+](CCOC)C3)cc2)cn1 ZINC000534660378 562539649 /nfs/dbraw/zinc/53/96/49/562539649.db2.gz YAEKSYJTDHCCAC-MRXNPFEDSA-N 1 0 356.470 2.268 50 0 FEAARO O=C(CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccccc1)C2=O)NC1CC1 ZINC000426428922 570498005 /nfs/dbraw/zinc/49/80/05/570498005.db2.gz SBTIDXMIZMYJAZ-JOCHJYFZSA-N 1 0 369.509 2.212 50 0 FEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000409414069 570588619 /nfs/dbraw/zinc/58/86/19/570588619.db2.gz NCKNIIOBZSZSPS-YJBOKZPZSA-N 1 0 360.502 2.252 50 0 FEAARO CN(C)c1ccc(NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)cn1 ZINC000048091789 570934152 /nfs/dbraw/zinc/93/41/52/570934152.db2.gz CMMLMPAXAPOANN-VQIMIIECSA-N 1 0 371.485 2.181 50 0 FEAARO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1-n1cnnn1 ZINC000048251817 570940256 /nfs/dbraw/zinc/94/02/56/570940256.db2.gz SFKCLHWDDITDQE-OAHLLOKOSA-N 1 0 371.470 2.457 50 0 FEAARO O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000048333520 570946995 /nfs/dbraw/zinc/94/69/95/570946995.db2.gz FEMMNVIMHSMLMT-SFHVURJKSA-N 1 0 364.873 2.214 50 0 FEAARO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(=O)N1CCc2ccccc21 ZINC000083927590 571060585 /nfs/dbraw/zinc/06/05/85/571060585.db2.gz LBRPZIHSAFXTEH-SJLPKXTDSA-N 1 0 370.497 2.234 50 0 FEAARO C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccon1 ZINC000685940018 571099361 /nfs/dbraw/zinc/09/93/61/571099361.db2.gz LURDMOJJLANYAV-PKWAYOAASA-N 1 0 350.369 2.459 50 0 FEAARO CC1(C)C(c2cc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)n[nH]2)C1(C)C ZINC000646533592 571106226 /nfs/dbraw/zinc/10/62/26/571106226.db2.gz UFPRVZULCQWLTM-CVWILIBFSA-N 1 0 360.502 3.030 50 0 FEAARO COc1c[nH]c(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1=O ZINC000426380175 571217121 /nfs/dbraw/zinc/21/71/21/571217121.db2.gz VIIKFBLOKJSHEB-FFZOFVMBSA-N 1 0 362.470 2.322 50 0 FEAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1cccc(-c2cnc3ncnn3c2)c1 ZINC000584888171 571314144 /nfs/dbraw/zinc/31/41/44/571314144.db2.gz FDWFVJILOJASSD-HXUWFJFHSA-N 1 0 364.453 2.205 50 0 FEAARO Cc1cccc(CN2CCN(C(=O)NCC[C@@H](C)[NH+]3CCCC3)CC2=O)c1 ZINC000584893937 571315102 /nfs/dbraw/zinc/31/51/02/571315102.db2.gz HXSPENQDPROMDN-GOSISDBHSA-N 1 0 372.513 2.223 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000584898470 571315744 /nfs/dbraw/zinc/31/57/44/571315744.db2.gz KQLAGBGKENYYFQ-CQSZACIVSA-N 1 0 364.515 2.088 50 0 FEAARO Cc1ccc(=O)n(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000670466653 571358796 /nfs/dbraw/zinc/35/87/96/571358796.db2.gz IPJJXMCQMBMZLO-IBGZPJMESA-N 1 0 368.481 2.285 50 0 FEAARO CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1CNCC[NH+](C)C ZINC000019743715 670029418 /nfs/dbraw/zinc/02/94/18/670029418.db2.gz QSUJWUSVXWWLOX-UHFFFAOYSA-N 1 0 350.850 2.354 50 0 FEAARO CN(C)c1ncc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)s1 ZINC000039509024 670140737 /nfs/dbraw/zinc/14/07/37/670140737.db2.gz KFAOGTFWVPPMGR-MRXNPFEDSA-N 1 0 352.548 2.410 50 0 FEAARO CS(=O)(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)CC1 ZINC000169782001 672322124 /nfs/dbraw/zinc/32/21/24/672322124.db2.gz CBNFEVANSLDJTR-CQSZACIVSA-N 1 0 358.454 2.458 50 0 FEAARO C[C@]1(C[NH3+])CCN(C(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)C1 ZINC000261949033 672905909 /nfs/dbraw/zinc/90/59/09/672905909.db2.gz JYAPWVBRQVKZLU-GOSISDBHSA-N 1 0 359.451 2.392 50 0 FEAARO COC[C@@H](CC(C)(C)C)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000624311837 676572840 /nfs/dbraw/zinc/57/28/40/676572840.db2.gz BWZMBTYDWGUMSF-MRXNPFEDSA-N 1 0 355.523 2.334 50 0 FEAARO C[C@@]1(c2nc(COc3cccc(Cl)c3)nn2CCO)CCC[NH2+]C1 ZINC000952981500 681795202 /nfs/dbraw/zinc/79/52/02/681795202.db2.gz XBBJXSCUNBTGMR-QGZVFWFLSA-N 1 0 350.850 2.144 50 0 FEAARO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1 ZINC000001891034 539343722 /nfs/dbraw/zinc/34/37/22/539343722.db2.gz ZPMNHBXQOOVQJL-UHFFFAOYSA-N 1 0 367.877 2.088 50 0 biogenic,world FEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000004687394 539390122 /nfs/dbraw/zinc/39/01/22/539390122.db2.gz FSIVMXSIKAMHKJ-QGZVFWFLSA-N 1 0 368.481 2.291 50 0 FEAARO COc1ccc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000005432848 539410730 /nfs/dbraw/zinc/41/07/30/539410730.db2.gz LYKMEDIGKQYMNV-SFHVURJKSA-N 1 0 362.470 2.211 50 0 FEAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)N2CCCCC2)C1 ZINC000014749184 539605074 /nfs/dbraw/zinc/60/50/74/539605074.db2.gz WFUZICCEFPSEMJ-MSOLQXFVSA-N 1 0 355.482 2.352 50 0 FEAARO COc1ccc(-c2noc(CN3CCC(C[NH+]4CCOCC4)CC3)n2)cc1 ZINC000014963173 539607781 /nfs/dbraw/zinc/60/77/81/539607781.db2.gz KQMIRRGMGNFAIQ-UHFFFAOYSA-N 1 0 372.469 2.289 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCCSC)C2)cc1 ZINC000015063824 539610128 /nfs/dbraw/zinc/61/01/28/539610128.db2.gz NWXGAMRXBMENCM-HNNXBMFYSA-N 1 0 372.556 2.439 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)nc2)on1 ZINC000015080356 539611468 /nfs/dbraw/zinc/61/14/68/539611468.db2.gz RSLSEOHQIVJVGY-UHFFFAOYSA-N 1 0 371.485 2.483 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793754 539687050 /nfs/dbraw/zinc/68/70/50/539687050.db2.gz SJCDQCVKXWEWID-UHFFFAOYSA-N 1 0 355.442 2.331 50 0 FEAARO O=c1oc(-c2cccs2)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022916860 539702285 /nfs/dbraw/zinc/70/22/85/539702285.db2.gz ORHNREQGGCPMCU-UHFFFAOYSA-N 1 0 356.451 2.340 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000022682196 539697098 /nfs/dbraw/zinc/69/70/98/539697098.db2.gz SJYQRMIGEHMXFD-HKUYNNGSSA-N 1 0 352.434 2.057 50 0 FEAARO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000022730355 539697991 /nfs/dbraw/zinc/69/79/91/539697991.db2.gz QZTSCSVSUHJRCC-QWHCGFSZSA-N 1 0 351.447 2.225 50 0 FEAARO COc1ccccc1-n1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cn1 ZINC000022851263 539700817 /nfs/dbraw/zinc/70/08/17/539700817.db2.gz DGCLRLPWJIZJFG-IBGZPJMESA-N 1 0 372.513 2.406 50 0 FEAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CCCCC1 ZINC000023127422 539706990 /nfs/dbraw/zinc/70/69/90/539706990.db2.gz KJHOYXRGGNSFMO-UHFFFAOYSA-N 1 0 357.498 2.464 50 0 FEAARO COc1cccc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000023249072 539710332 /nfs/dbraw/zinc/71/03/32/539710332.db2.gz KRVRSRKVVMOWEJ-UHFFFAOYSA-N 1 0 353.466 2.494 50 0 FEAARO CC(C)c1csc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)n1 ZINC000023358999 539711942 /nfs/dbraw/zinc/71/19/42/539711942.db2.gz GLZSORYSHURQFT-KRWDZBQOSA-N 1 0 366.575 2.229 50 0 FEAARO Cc1[nH]c2ccccc2c1CC(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000023505675 539715736 /nfs/dbraw/zinc/71/57/36/539715736.db2.gz WWFNWCICRKGHQM-UHFFFAOYSA-N 1 0 366.469 2.008 50 0 FEAARO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000024978961 539745454 /nfs/dbraw/zinc/74/54/54/539745454.db2.gz DSIWEOXRBXPHSW-STQMWFEESA-N 1 0 369.421 2.235 50 0 FEAARO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)NC(=O)N[C@@H]1C ZINC000025440418 539760020 /nfs/dbraw/zinc/76/00/20/539760020.db2.gz SAAXFIUAGUJFQO-GDBMZVCRSA-N 1 0 357.454 2.212 50 0 FEAARO Cc1cc(F)ccc1S(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225564165 209819105 /nfs/dbraw/zinc/81/91/05/209819105.db2.gz LTSUGXJHARSTOU-UHFFFAOYSA-N 1 0 370.490 2.303 50 0 FEAARO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000028278897 539829615 /nfs/dbraw/zinc/82/96/15/539829615.db2.gz JUKWDFFUCBWRPL-KRWDZBQOSA-N 1 0 360.479 2.420 50 0 FEAARO CC(=O)N1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)Oc2ccccc21 ZINC000032819030 539954313 /nfs/dbraw/zinc/95/43/13/539954313.db2.gz IDUOSKUZUIWCTQ-ICSRJNTNSA-N 1 0 367.449 2.220 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCn2cncn2)C1 ZINC000048373991 540359640 /nfs/dbraw/zinc/35/96/40/540359640.db2.gz XZWNBKXQKRZEMN-IRXDYDNUSA-N 1 0 355.486 2.463 50 0 FEAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000051449900 540434628 /nfs/dbraw/zinc/43/46/28/540434628.db2.gz PUHPRFLWXXIJGR-KRWDZBQOSA-N 1 0 361.486 2.039 50 0 FEAARO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000055298100 540645258 /nfs/dbraw/zinc/64/52/58/540645258.db2.gz WPXIJGQVYPBHML-UHFFFAOYSA-N 1 0 365.499 2.066 50 0 FEAARO O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC000056994220 540760426 /nfs/dbraw/zinc/76/04/26/540760426.db2.gz PHOAWMPCFDMMQK-UHFFFAOYSA-N 1 0 352.482 2.409 50 0 FEAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1 ZINC000058311573 540839281 /nfs/dbraw/zinc/83/92/81/540839281.db2.gz JIMAOEPWFSHHMA-QGZVFWFLSA-N 1 0 368.485 2.246 50 0 FEAARO OC1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCOCC1 ZINC000238139093 209360505 /nfs/dbraw/zinc/36/05/05/209360505.db2.gz GPHOUPWURGKXLX-UHFFFAOYSA-N 1 0 354.244 2.356 50 0 FEAARO O=C(C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)NCC(=O)N1CCCC1 ZINC000058209169 540833442 /nfs/dbraw/zinc/83/34/42/540833442.db2.gz VVKTVLPQXZXHST-IBGZPJMESA-N 1 0 355.482 2.267 50 0 FEAARO Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000058209587 540833663 /nfs/dbraw/zinc/83/36/63/540833663.db2.gz DCQDKKOGUHMWSG-CQSZACIVSA-N 1 0 354.410 2.166 50 0 FEAARO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c3c(c2)OCCO3)C1 ZINC000058218517 540834694 /nfs/dbraw/zinc/83/46/94/540834694.db2.gz QURBJHPZLYOAEZ-LLVKDONJSA-N 1 0 355.232 2.044 50 0 FEAARO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237537856 209350287 /nfs/dbraw/zinc/35/02/87/209350287.db2.gz MWAVDKPOSHMWLC-KEYYUXOJSA-N 1 0 352.862 2.397 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2Br)C1 ZINC000237206218 209339243 /nfs/dbraw/zinc/33/92/43/209339243.db2.gz KDICUUVHZZKQPH-JTQLQIEISA-N 1 0 365.268 2.208 50 0 FEAARO Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000106961967 209273704 /nfs/dbraw/zinc/27/37/04/209273704.db2.gz GIJYYKSHSRIBRN-QGZVFWFLSA-N 1 0 368.547 2.168 50 0 FEAARO O=C(c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1)N1CCSCC1 ZINC000065256128 541230509 /nfs/dbraw/zinc/23/05/09/541230509.db2.gz YGYXTCMESCHVDK-SFHVURJKSA-N 1 0 368.506 2.422 50 0 FEAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000065329526 541234616 /nfs/dbraw/zinc/23/46/16/541234616.db2.gz NHGPNUDFEQFNRO-CHWSQXEVSA-N 1 0 360.458 2.218 50 0 FEAARO Cc1cc(C)c([C@H]2CC(=O)Nc3n[nH]cc32)cc1CN1CC[NH+](C)CC1 ZINC000065506578 541241330 /nfs/dbraw/zinc/24/13/30/541241330.db2.gz QZPVGESJWPCODW-QGZVFWFLSA-N 1 0 353.470 2.248 50 0 FEAARO CCC(=O)Nc1ccc(OCC(=O)N2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000065530771 541243664 /nfs/dbraw/zinc/24/36/64/541243664.db2.gz ITGZMXDIGGYAMB-UHFFFAOYSA-N 1 0 359.470 2.358 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000065536566 541244080 /nfs/dbraw/zinc/24/40/80/541244080.db2.gz VYTVBCYEGOINDF-OAHLLOKOSA-N 1 0 361.442 2.011 50 0 FEAARO O=C(N1C[C@H]2[C@H](C[N@H+](Cc3ccsc3)C3CC3)[C@H]2C1)N1CCOCC1 ZINC000102870115 209244511 /nfs/dbraw/zinc/24/45/11/209244511.db2.gz JCXOKUZFCRACSY-NNZMDNLPSA-N 1 0 361.511 2.343 50 0 FEAARO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)OCO3 ZINC000067541965 541478205 /nfs/dbraw/zinc/47/82/05/541478205.db2.gz JVLJYDREPAVCGX-YWZLYKJASA-N 1 0 356.422 2.384 50 0 FEAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1CC1CCC1 ZINC000067642090 541494255 /nfs/dbraw/zinc/49/42/55/541494255.db2.gz PSGBBXJVOIRCNX-HXUWFJFHSA-N 1 0 359.445 2.459 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000067691043 541499717 /nfs/dbraw/zinc/49/97/17/541499717.db2.gz UWMNDCNSFNHVHH-HXUWFJFHSA-N 1 0 373.541 2.168 50 0 FEAARO Cc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[NH2+]CC3)c(F)c1 ZINC000067696571 541500477 /nfs/dbraw/zinc/50/04/77/541500477.db2.gz LVSDHTNSSKKMPV-MRXNPFEDSA-N 1 0 359.449 2.389 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)NC[C@@]2(C)CC[N@H+](C)C2)[nH]n1 ZINC000067773820 541512215 /nfs/dbraw/zinc/51/22/15/541512215.db2.gz HZNGVPJLKDBUBH-LJQANCHMSA-N 1 0 358.442 2.069 50 0 FEAARO Cc1nnsc1C[NH2+]C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067894569 541526674 /nfs/dbraw/zinc/52/66/74/541526674.db2.gz OVCFFPLZQOBQPK-SFHVURJKSA-N 1 0 366.531 2.260 50 0 FEAARO O=C(CCn1nnc(-c2ccccc2)n1)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067908989 541527291 /nfs/dbraw/zinc/52/72/91/541527291.db2.gz MCBSZVPMWXBFEL-UHFFFAOYSA-N 1 0 368.485 2.113 50 0 FEAARO Cc1cc2nc(C[NH2+]C3CCN(C(=O)[C@@H]4CCCO4)CC3)[nH]c2cc1C ZINC000067973992 541534329 /nfs/dbraw/zinc/53/43/29/541534329.db2.gz YLVYVZHSZBBNQV-SFHVURJKSA-N 1 0 356.470 2.439 50 0 FEAARO c1ccc2sc(N3CCCN(c4ncnc5c4CC[NH2+]C5)CC3)nc2c1 ZINC000067983137 541535465 /nfs/dbraw/zinc/53/54/65/541535465.db2.gz WPNSCPYHYAGGOF-UHFFFAOYSA-N 1 0 366.494 2.449 50 0 FEAARO CN1CC[N@H+](C)[C@H](CC(=O)N(Cc2ccc(F)cc2)Cc2ccccn2)C1 ZINC000097602396 209189075 /nfs/dbraw/zinc/18/90/75/209189075.db2.gz RFYOCGSBDKRRAN-HXUWFJFHSA-N 1 0 370.472 2.385 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000071681843 541768361 /nfs/dbraw/zinc/76/83/61/541768361.db2.gz FAZXWNBJFSKQQZ-IBGZPJMESA-N 1 0 356.514 2.380 50 0 FEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000071745586 541769832 /nfs/dbraw/zinc/76/98/32/541769832.db2.gz YXVMYZCITGBMCF-UHFFFAOYSA-N 1 0 366.469 2.232 50 0 FEAARO CCCc1cc(CN(C)c2nc(-c3ccncc3)nc3c2CC[NH2+]C3)[nH]n1 ZINC000071753247 541770510 /nfs/dbraw/zinc/77/05/10/541770510.db2.gz ZAQGHPBHJISVTJ-UHFFFAOYSA-N 1 0 363.469 2.496 50 0 FEAARO Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c(C)n1-n1cnnc1 ZINC000071760080 541771094 /nfs/dbraw/zinc/77/10/94/541771094.db2.gz RAUNAGJWALIEFY-QGZVFWFLSA-N 1 0 364.453 2.498 50 0 FEAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c(C)o2)c1 ZINC000071755258 541771107 /nfs/dbraw/zinc/77/11/07/541771107.db2.gz BVKOGPQKUILEHR-CYBMUJFWSA-N 1 0 359.426 2.365 50 0 FEAARO COc1cccc(NC(=O)COc2coc(C[NH+]3CCCC3)cc2=O)c1 ZINC000071284134 541765547 /nfs/dbraw/zinc/76/55/47/541765547.db2.gz LRTWCUSJFIIXRS-UHFFFAOYSA-N 1 0 358.394 2.262 50 0 FEAARO CN1C[C@@]2(CCC[N@H+](Cc3cc4ccccc4n(C)c3=O)CC2)OC1=O ZINC000072129068 541785187 /nfs/dbraw/zinc/78/51/87/541785187.db2.gz FWXKPHGYAWPEJM-FQEVSTJZSA-N 1 0 355.438 2.345 50 0 FEAARO CN(Cc1nc(-c2ccccn2)no1)C(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072134772 541785846 /nfs/dbraw/zinc/78/58/46/541785846.db2.gz MNWXLHWPYFEUGG-INIZCTEOSA-N 1 0 363.421 2.481 50 0 FEAARO CCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072143291 541787101 /nfs/dbraw/zinc/78/71/01/541787101.db2.gz OVCBFVUOMONCHU-FQEVSTJZSA-N 1 0 365.477 2.145 50 0 FEAARO COc1ccccc1[C@H]1C[N@H+](Cc2cnn(C)c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072154650 541790955 /nfs/dbraw/zinc/79/09/55/541790955.db2.gz QOKBIFJXQZPTSX-HMXCVIKNSA-N 1 0 352.482 2.491 50 0 FEAARO Cc1ccnn1CCC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072158597 541791512 /nfs/dbraw/zinc/79/15/12/541791512.db2.gz HBSZSSMZDOFTHI-HXUWFJFHSA-N 1 0 352.482 2.283 50 0 FEAARO Cn1cc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000072164364 541793279 /nfs/dbraw/zinc/79/32/79/541793279.db2.gz SCMRTUQPZXOVSW-GOSISDBHSA-N 1 0 362.499 2.398 50 0 FEAARO CCn1ccc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1=O ZINC000072171333 541795878 /nfs/dbraw/zinc/79/58/78/541795878.db2.gz LBSLHPRSTYZGNW-FQEVSTJZSA-N 1 0 365.477 2.184 50 0 FEAARO CCCc1nc2c(cnn2C)c(N2CCCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000072169934 541795325 /nfs/dbraw/zinc/79/53/25/541795325.db2.gz GASGDEAAPFKJAF-HNNXBMFYSA-N 1 0 358.490 2.007 50 0 FEAARO O=C(NCc1ccccc1CN1CCOCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000072310038 541798657 /nfs/dbraw/zinc/79/86/57/541798657.db2.gz ZWAXQRIBHKMJIP-PMACEKPBSA-N 1 0 357.498 2.009 50 0 FEAARO O=C(Nc1cccc(-c2nccs2)c1)N1C[C@@H]([NH+]2CCCC2)[C@@H](O)C1 ZINC000072313615 541798926 /nfs/dbraw/zinc/79/89/26/541798926.db2.gz CXYRAJXLGGKQHW-CVEARBPZSA-N 1 0 358.467 2.483 50 0 FEAARO C[NH+](C)C1(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CCOCC1 ZINC000072310194 541798959 /nfs/dbraw/zinc/79/89/59/541798959.db2.gz RBPVJSZNIJRQLA-GOSISDBHSA-N 1 0 363.477 2.017 50 0 FEAARO O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000072310039 541799050 /nfs/dbraw/zinc/79/90/50/541799050.db2.gz ZWAXQRIBHKMJIP-WOJBJXKFSA-N 1 0 357.498 2.009 50 0 FEAARO Fc1ccc(-c2noc(Cn3ccnc3-c3cc4n(n3)CC[NH2+]C4)n2)cc1 ZINC000072409856 541806379 /nfs/dbraw/zinc/80/63/79/541806379.db2.gz YCJJNJGEUHZHRQ-UHFFFAOYSA-N 1 0 365.372 2.087 50 0 FEAARO Cc1nc2c(s1)CCC[C@H]2NC(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072417875 541807849 /nfs/dbraw/zinc/80/78/49/541807849.db2.gz JDDLNNMTZVPTAC-OAHLLOKOSA-N 1 0 359.499 2.268 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)NCc1coc(-c2ccccc2)n1 ZINC000072412503 541807891 /nfs/dbraw/zinc/80/78/91/541807891.db2.gz AWYJNSFJZSMDKL-UHFFFAOYSA-N 1 0 365.437 2.280 50 0 FEAARO CCOCc1nc2c(c(N(C)CCOc3ccccc3)n1)CC[NH2+]CC2 ZINC000072422374 541808937 /nfs/dbraw/zinc/80/89/37/541808937.db2.gz JBGLZHZPUMOSLC-UHFFFAOYSA-N 1 0 356.470 2.217 50 0 FEAARO Cc1cc(C(=O)N(C)Cc2ccc(-n3cccn3)cc2)n(CC[NH+](C)C)n1 ZINC000072420410 541809090 /nfs/dbraw/zinc/80/90/90/541809090.db2.gz OYVPQKPSXSGBMN-UHFFFAOYSA-N 1 0 366.469 2.211 50 0 FEAARO Cc1nc2c(c(N3CCCOCC3)n1)CC[N@H+](Cc1cccnc1)CC2 ZINC000072422751 541809405 /nfs/dbraw/zinc/80/94/05/541809405.db2.gz WIAGCNVEKDOGPD-UHFFFAOYSA-N 1 0 353.470 2.008 50 0 FEAARO O[C@H]1CN(Cc2cnc(-c3cccs3)nc2)C[C@@H]1[NH+]1CCC(F)CC1 ZINC000072428892 541812133 /nfs/dbraw/zinc/81/21/33/541812133.db2.gz FCMKNIFEJGVFNE-HOTGVXAUSA-N 1 0 362.474 2.184 50 0 FEAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CCCC[C@@H]1CCc1ccccn1 ZINC000072434407 541813201 /nfs/dbraw/zinc/81/32/01/541813201.db2.gz STXZGTMENGDISY-LJQANCHMSA-N 1 0 367.497 2.328 50 0 FEAARO COc1cccc(CCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1OC ZINC000072447580 541815815 /nfs/dbraw/zinc/81/58/15/541815815.db2.gz ZJPJRFFHFJLVSA-UHFFFAOYSA-N 1 0 367.453 2.500 50 0 FEAARO CC[C@H](Cn1ccnc1)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]CC2 ZINC000072479022 541821737 /nfs/dbraw/zinc/82/17/37/541821737.db2.gz LSAILNHVGIMILX-MRXNPFEDSA-N 1 0 363.469 2.314 50 0 FEAARO COCCCN1C[C@]2(CCC[N@H+](CCn3cc(Cl)cn3)C2)CCC1=O ZINC000072481510 541822735 /nfs/dbraw/zinc/82/27/35/541822735.db2.gz WWSGEJDDEOKOCJ-GOSISDBHSA-N 1 0 368.909 2.278 50 0 FEAARO O[C@H]1[C@H](NCc2noc(-c3ccco3)n2)c2ccccc2C12CC[NH2+]CC2 ZINC000072475910 541819589 /nfs/dbraw/zinc/81/95/89/541819589.db2.gz IJYQGLZUPKHESU-MSOLQXFVSA-N 1 0 366.421 2.156 50 0 FEAARO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000097162462 209173339 /nfs/dbraw/zinc/17/33/39/209173339.db2.gz MXLJRKVHTYZNHD-ZIAGYGMSSA-N 1 0 367.453 2.340 50 0 FEAARO C[NH+]1CCC(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)CC1 ZINC000097099553 209169781 /nfs/dbraw/zinc/16/97/81/209169781.db2.gz OCJZSCOGEPVCAU-UHFFFAOYSA-N 1 0 363.477 2.081 50 0 FEAARO CCC[NH+]1CCN(C(=S)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000005060814 207077916 /nfs/dbraw/zinc/07/79/16/207077916.db2.gz SXIKUZPOWHIIPW-UHFFFAOYSA-N 1 0 351.516 2.148 50 0 FEAARO COc1cc(COC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000005867094 207120958 /nfs/dbraw/zinc/12/09/58/207120958.db2.gz NSGAMEJUVFZLSE-HOCLYGCPSA-N 1 0 353.459 2.464 50 0 FEAARO CCCCNC(=O)c1ccc(C(=O)N[n+]2cn(C)c3ccccc32)cc1 ZINC000006591816 207148023 /nfs/dbraw/zinc/14/80/23/207148023.db2.gz LAAJVVKLEJJRKM-UHFFFAOYSA-O 1 0 351.430 2.380 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000009314725 207266211 /nfs/dbraw/zinc/26/62/11/207266211.db2.gz INWAEGGDSCZBTM-CQSZACIVSA-N 1 0 370.449 2.261 50 0 FEAARO COc1cn(CC(=O)NC2CCCC2)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622120 207280414 /nfs/dbraw/zinc/28/04/14/207280414.db2.gz IUPDHZAYUMLVTF-UHFFFAOYSA-N 1 0 361.486 2.292 50 0 FEAARO CSCCNC(=O)c1sc2ncnc(NCC[NH+](C)C)c2c1C ZINC000011782434 207322594 /nfs/dbraw/zinc/32/25/94/207322594.db2.gz ONDBWFAFUHDSEE-UHFFFAOYSA-N 1 0 353.517 2.066 50 0 FEAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)CSc2ncccn2)C1 ZINC000011937324 207331641 /nfs/dbraw/zinc/33/16/41/207331641.db2.gz VFLYZSCYFQZVDV-KRWDZBQOSA-N 1 0 371.510 2.129 50 0 FEAARO O=C(c1cc[n+]([O-])cc1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012318674 207360689 /nfs/dbraw/zinc/36/06/89/207360689.db2.gz VSMITSLLFKUNNJ-HXUWFJFHSA-N 1 0 366.465 2.089 50 0 FEAARO Cn1nccc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012436298 207375777 /nfs/dbraw/zinc/37/57/77/207375777.db2.gz IZZDJAKABUBCPU-SFHVURJKSA-N 1 0 353.470 2.189 50 0 FEAARO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000032826709 208046560 /nfs/dbraw/zinc/04/65/60/208046560.db2.gz UYKHMFIRFKILMF-LJQANCHMSA-N 1 0 371.525 2.458 50 0 FEAARO CCC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3[nH]c(C)cc3C)CC2)CC1 ZINC000033024322 208066558 /nfs/dbraw/zinc/06/65/58/208066558.db2.gz SGVSBFUMOSGXCC-UHFFFAOYSA-N 1 0 374.529 2.428 50 0 FEAARO Cc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)c1 ZINC000033032395 208067529 /nfs/dbraw/zinc/06/75/29/208067529.db2.gz LATPXZIYMBBBDS-UHFFFAOYSA-N 1 0 351.450 2.069 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(n2cnnn2)CCCCC1 ZINC000036357969 208158213 /nfs/dbraw/zinc/15/82/13/208158213.db2.gz NOXYVUUSDYPOCN-UHFFFAOYSA-N 1 0 368.485 2.113 50 0 FEAARO Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)NCC[NH+](C)C)C(C)C)no2)cc1 ZINC000035989848 208140097 /nfs/dbraw/zinc/14/00/97/208140097.db2.gz PNYGDEZJEJNGCV-SFHVURJKSA-N 1 0 372.469 2.082 50 0 FEAARO Cc1nn2cc(CCNc3cc(C4CC[NH2+]CC4)nc(C)n3)nc2s1 ZINC000039359855 208210906 /nfs/dbraw/zinc/21/09/06/208210906.db2.gz AFNYXELUVWFOKJ-UHFFFAOYSA-N 1 0 357.487 2.319 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073666 208224503 /nfs/dbraw/zinc/22/45/03/208224503.db2.gz IOBVDEHCOMJVHP-IAGOWNOFSA-N 1 0 361.486 2.427 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)CCn3cncn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000077320534 542366537 /nfs/dbraw/zinc/36/65/37/542366537.db2.gz XUIOJPZCAUDCFG-HMXCVIKNSA-N 1 0 365.481 2.065 50 0 FEAARO CCCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1OCC ZINC000040721852 208263660 /nfs/dbraw/zinc/26/36/60/208263660.db2.gz JFDFOWAVMXJOGZ-UHFFFAOYSA-N 1 0 351.476 2.280 50 0 FEAARO COc1cc(F)c(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1OC ZINC000077322257 542366890 /nfs/dbraw/zinc/36/68/90/542366890.db2.gz BZOUGKQUSYANEF-IBGZPJMESA-N 1 0 352.450 2.266 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 ZINC000048310014 208397928 /nfs/dbraw/zinc/39/79/28/208397928.db2.gz SUGKURLIGMITRB-HOTGVXAUSA-N 1 0 370.497 2.389 50 0 FEAARO O=C(CC[NH+]1CCCCCCC1)NC[C@@H](c1cccnc1)N1CCOCC1 ZINC000055060964 208464563 /nfs/dbraw/zinc/46/45/63/208464563.db2.gz PNGAPEHTONMKQK-FQEVSTJZSA-N 1 0 374.529 2.227 50 0 FEAARO Cn1c(CN2CCCCC2)nnc1C1CC[NH+](C2CCN(C)CC2)CC1 ZINC000077377222 542374845 /nfs/dbraw/zinc/37/48/45/542374845.db2.gz WPLXCDSYOKOKGL-UHFFFAOYSA-N 1 0 360.550 2.075 50 0 FEAARO CCn1c(N)nc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnc21 ZINC000077437114 542381632 /nfs/dbraw/zinc/38/16/32/542381632.db2.gz IUNDFBQDYRCQCN-UHFFFAOYSA-N 1 0 356.474 2.124 50 0 FEAARO Cc1ccc(OC2CCN(C(=O)CC[N@@H+](C)[C@H]3CCN(C)C3)CC2)cc1 ZINC000077374917 542373975 /nfs/dbraw/zinc/37/39/75/542373975.db2.gz ZAWDCELARWWJDC-SFHVURJKSA-N 1 0 359.514 2.391 50 0 FEAARO CN(Cc1nc(-c2cccnc2)no1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065469635 208681133 /nfs/dbraw/zinc/68/11/33/208681133.db2.gz QFINZIAYOBADHD-UHFFFAOYSA-N 1 0 361.409 2.212 50 0 FEAARO CCNc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000067613697 208712415 /nfs/dbraw/zinc/71/24/15/208712415.db2.gz OTEFSASKPTUBHB-UHFFFAOYSA-N 1 0 353.470 2.498 50 0 FEAARO COc1ccc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)cc1 ZINC000072147008 208809206 /nfs/dbraw/zinc/80/92/06/208809206.db2.gz HGBIPJLRAXIRPY-MOPGFXCFSA-N 1 0 352.434 2.162 50 0 FEAARO CCNC(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077303686 208896610 /nfs/dbraw/zinc/89/66/10/208896610.db2.gz HKDAOLZYAYLXAO-OAQYLSRUSA-N 1 0 357.498 2.070 50 0 FEAARO O=C(c1cccc(-n2cccn2)c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000077377724 208901494 /nfs/dbraw/zinc/90/14/94/208901494.db2.gz XOISACCAYYZQLI-LJQANCHMSA-N 1 0 354.454 2.199 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1cnccn1 ZINC000082170755 208952084 /nfs/dbraw/zinc/95/20/84/208952084.db2.gz SBKOQFUPQTWYPO-UHFFFAOYSA-N 1 0 354.458 2.142 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(c2cc(C)nc(-c3ccccc3)n2)C[C@@H]1CO ZINC000091829318 208999440 /nfs/dbraw/zinc/99/94/40/208999440.db2.gz HXOVHGIQWHQEFW-RTBURBONSA-N 1 0 370.497 2.075 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnn1CC)CC2 ZINC000091847307 209000251 /nfs/dbraw/zinc/00/02/51/209000251.db2.gz MNGBHYFMILAHBO-UHFFFAOYSA-N 1 0 370.501 2.416 50 0 FEAARO CCN1CC[C@]2(CN(C(=O)Nc3cccc(OC)c3)CC[N@@H+]2C)CCC1=O ZINC000091893409 209002900 /nfs/dbraw/zinc/00/29/00/209002900.db2.gz LDGQQPPAFCBGNH-FQEVSTJZSA-N 1 0 374.485 2.246 50 0 FEAARO Cc1ncc(C(=O)N2CC[C@@]3(O)CC[N@@H+](C4CCCCC4)C[C@H]3C2)cn1 ZINC000091914573 209003435 /nfs/dbraw/zinc/00/34/35/209003435.db2.gz MAALBUXORZHVQY-PXNSSMCTSA-N 1 0 358.486 2.017 50 0 FEAARO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3ccccc3c1)CC2 ZINC000091782468 208996572 /nfs/dbraw/zinc/99/65/72/208996572.db2.gz PDVURLOLCKQMAS-MOPGFXCFSA-N 1 0 354.450 2.171 50 0 FEAARO CC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000091998122 209011170 /nfs/dbraw/zinc/01/11/70/209011170.db2.gz DMCRDXQYHMNHKU-OAHLLOKOSA-N 1 0 356.470 2.144 50 0 FEAARO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cc(=O)c3cccc(F)c3[nH]1)CC2 ZINC000092066854 209016169 /nfs/dbraw/zinc/01/61/69/209016169.db2.gz LARIAGMSXAVNEQ-UHFFFAOYSA-N 1 0 354.385 2.072 50 0 FEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(O)(c2cccnc2)CC1 ZINC000095353207 209022386 /nfs/dbraw/zinc/02/23/86/209022386.db2.gz IWRXPUFMEOUVIF-KRWDZBQOSA-N 1 0 369.465 2.397 50 0 FEAARO COc1cccc(CC(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095355071 209023835 /nfs/dbraw/zinc/02/38/35/209023835.db2.gz XLPZQHXEPKYEJU-SFHVURJKSA-N 1 0 370.497 2.402 50 0 FEAARO CCN1CC[C@]2(CN(C(=O)Cc3cc(C)ccc3C)CC[N@@H+]2C)CCC1=O ZINC000095354756 209024256 /nfs/dbraw/zinc/02/42/56/209024256.db2.gz WVENLDJDPCCJNO-QFIPXVFZSA-N 1 0 371.525 2.391 50 0 FEAARO CCC[NH+]1CCC(CC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000095356415 209025695 /nfs/dbraw/zinc/02/56/95/209025695.db2.gz LJEMFGNDHPZZSZ-LJQANCHMSA-N 1 0 362.518 2.204 50 0 FEAARO Cc1c[nH]c(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095356980 209026873 /nfs/dbraw/zinc/02/68/73/209026873.db2.gz NTBPQOXWSRIVAT-RCCFBDPRSA-N 1 0 352.438 2.126 50 0 FEAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000095357645 209026937 /nfs/dbraw/zinc/02/69/37/209026937.db2.gz OAPKLJWDTDOKQT-HXUWFJFHSA-N 1 0 371.525 2.047 50 0 FEAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C2([NH+]3CCCC3)CCCCC2)on1 ZINC000095359425 209028005 /nfs/dbraw/zinc/02/80/05/209028005.db2.gz BKKOZRXUHRBPJZ-AEFFLSMTSA-N 1 0 361.486 2.455 50 0 FEAARO COCCCN1CC2(CC1=O)CC[NH+](Cc1cccc(C(=O)OC)c1)CC2 ZINC000095359534 209028223 /nfs/dbraw/zinc/02/82/23/209028223.db2.gz IZPBDIWMHVKXRD-UHFFFAOYSA-N 1 0 374.481 2.324 50 0 FEAARO COc1ccccc1CC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095362860 209029961 /nfs/dbraw/zinc/02/99/61/209029961.db2.gz IMAZQEIIHDGFPA-SFHVURJKSA-N 1 0 370.497 2.402 50 0 FEAARO CCN1CC2(CCN(C(=O)C[NH+](C)C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000092045956 209014713 /nfs/dbraw/zinc/01/47/13/209014713.db2.gz IVOQXPZMVXZIFH-SFHVURJKSA-N 1 0 357.498 2.193 50 0 FEAARO Cc1c(O)cccc1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095372671 209034510 /nfs/dbraw/zinc/03/45/10/209034510.db2.gz LTJJEXLMCCZTNB-MRXNPFEDSA-N 1 0 356.470 2.479 50 0 FEAARO CN1Cc2ccccc2C[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095373643 209035064 /nfs/dbraw/zinc/03/50/64/209035064.db2.gz IIHBSNRBOFVAJT-OAQYLSRUSA-N 1 0 364.493 2.219 50 0 FEAARO O=C(NC[C@@H]1C[NH2+]CCOC1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000095379233 209038454 /nfs/dbraw/zinc/03/84/54/209038454.db2.gz KBMNSJDPLRYEER-AWEZNQCLSA-N 1 0 368.412 2.106 50 0 FEAARO CN(C)C(=O)c1cc2c(s1)CCN(C(=O)CC[C@H]1CCC[N@H+](C)C1)C2 ZINC000095380293 209040483 /nfs/dbraw/zinc/04/04/83/209040483.db2.gz FVLYHVSMUVNKJK-CQSZACIVSA-N 1 0 363.527 2.457 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000095381019 209040891 /nfs/dbraw/zinc/04/08/91/209040891.db2.gz UWOPFTJFTKZPSG-SFHVURJKSA-N 1 0 350.470 2.482 50 0 FEAARO O=C(COc1ccc2c(c1)CCC2)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000095426539 209048850 /nfs/dbraw/zinc/04/88/50/209048850.db2.gz GLXSFGTXXUVDIC-NHCUHLMSSA-N 1 0 372.509 2.438 50 0 FEAARO O=C(c1ccnc(N2CCC[N@H+](Cc3cccnc3)CC2)c1)N1CCCC1 ZINC000095506802 209064766 /nfs/dbraw/zinc/06/47/66/209064766.db2.gz VABITSSJFYGKAT-UHFFFAOYSA-N 1 0 365.481 2.425 50 0 FEAARO Cn1cnnc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095516356 209070454 /nfs/dbraw/zinc/07/04/54/209070454.db2.gz PWDLGCVUDWLTLF-IBGZPJMESA-N 1 0 361.534 2.451 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000095517023 209070788 /nfs/dbraw/zinc/07/07/88/209070788.db2.gz QYSZUMFAQOSLKG-KRWDZBQOSA-N 1 0 360.502 2.248 50 0 FEAARO CN(C)c1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)cc1 ZINC000095513364 209071463 /nfs/dbraw/zinc/07/14/63/209071463.db2.gz WMOJMUAFHAGIKH-NRFANRHFSA-N 1 0 367.493 2.000 50 0 FEAARO [NH3+][C@@H]1CCN(Cc2cc(-c3ccccc3OC(F)(F)F)no2)C[C@H]1O ZINC000082099234 542682944 /nfs/dbraw/zinc/68/29/44/542682944.db2.gz OWOGSMACPIMTOT-TZMCWYRMSA-N 1 0 357.332 2.134 50 0 FEAARO COc1cc(C)ccc1C(=O)N1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000082162157 542686502 /nfs/dbraw/zinc/68/65/02/542686502.db2.gz BJYCEFMABXIILF-KRWDZBQOSA-N 1 0 359.514 2.492 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH]n1 ZINC000085875517 542732701 /nfs/dbraw/zinc/73/27/01/542732701.db2.gz KJBYJLKQYRFYSL-MAUKXSAKSA-N 1 0 370.501 2.421 50 0 FEAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000077285302 132178626 /nfs/dbraw/zinc/17/86/26/132178626.db2.gz VPSBPTIEIXXOPG-KRWDZBQOSA-N 1 0 353.470 2.181 50 0 FEAARO Cc1cc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc(C)[nH+]1 ZINC000077320500 132180766 /nfs/dbraw/zinc/18/07/66/132180766.db2.gz BMZGOTWSQNXNPA-UHFFFAOYSA-N 1 0 353.422 2.318 50 0 FEAARO CN(C)c1cncc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095357826 132207522 /nfs/dbraw/zinc/20/75/22/132207522.db2.gz YTIFQWZPKDTSOH-MRXNPFEDSA-N 1 0 357.506 2.075 50 0 FEAARO CCc1cc(N2CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)ncn1 ZINC000299803159 132300923 /nfs/dbraw/zinc/30/09/23/132300923.db2.gz YPRCXXQFEXUBHJ-UHFFFAOYSA-N 1 0 369.469 2.190 50 0 FEAARO Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@]4(C3)CCCN(C(C)C)C4=O)nc12 ZINC000091411024 542806417 /nfs/dbraw/zinc/80/64/17/542806417.db2.gz RJZISFOTZAYGLC-OAQYLSRUSA-N 1 0 368.481 2.226 50 0 FEAARO Cc1ccsc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000091486187 542811094 /nfs/dbraw/zinc/81/10/94/542811094.db2.gz MCQPVPLHDHCFLP-SJORKVTESA-N 1 0 365.543 2.359 50 0 FEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](O)c1ccccc1Cl)CC2 ZINC000091537093 542811546 /nfs/dbraw/zinc/81/15/46/542811546.db2.gz JLUFSQLUUPNBGE-INIZCTEOSA-N 1 0 374.872 2.102 50 0 FEAARO C[NH2+]C1CCN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC1 ZINC000091587459 542814012 /nfs/dbraw/zinc/81/40/12/542814012.db2.gz WFMUWCWXXCDKEI-UHFFFAOYSA-N 1 0 370.497 2.062 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)no1 ZINC000091595959 542815241 /nfs/dbraw/zinc/81/52/41/542815241.db2.gz WRPAJYLFCWBDHL-UHFFFAOYSA-N 1 0 357.458 2.352 50 0 FEAARO COc1ccc2c(c1)[C@@H](C(=O)N1CC[NH+](CC3CCCC3)CC1)CC(=O)N2 ZINC000091616459 542815623 /nfs/dbraw/zinc/81/56/23/542815623.db2.gz FZFUAYWGUJVVIU-SFHVURJKSA-N 1 0 371.481 2.455 50 0 FEAARO COCC1(C(=O)N[C@H]2C[N@@H+](C3Cc4ccccc4C3)C[C@@H]2C2CC2)CC1 ZINC000091680836 542819913 /nfs/dbraw/zinc/81/99/13/542819913.db2.gz RCOQEEGVRXVVTJ-UXHICEINSA-N 1 0 354.494 2.407 50 0 FEAARO CCOc1ccc(C(=O)N2C[C@H](CO)C[C@H](C[NH+](C)C)C2)cc1Cl ZINC000091713826 542821553 /nfs/dbraw/zinc/82/15/53/542821553.db2.gz CFFGJMMSPNKCNN-ZIAGYGMSSA-N 1 0 354.878 2.371 50 0 FEAARO CCN1C[C@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CC1=O ZINC000091780768 542825493 /nfs/dbraw/zinc/82/54/93/542825493.db2.gz QKERFXPFJFFWAG-LJQANCHMSA-N 1 0 357.498 2.022 50 0 FEAARO CCc1cc(N2CC[N@H+](CC3CC3)[C@H](CCO)C2)n2nc(C)c(C)c2n1 ZINC000072420263 136145784 /nfs/dbraw/zinc/14/57/84/136145784.db2.gz VUCTWIXYRNOVPH-GOSISDBHSA-N 1 0 357.502 2.192 50 0 FEAARO CCc1nc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)ncc1C ZINC000072453683 136148351 /nfs/dbraw/zinc/14/83/51/136148351.db2.gz MACSHINCWNPFSH-FQEVSTJZSA-N 1 0 359.518 2.118 50 0 FEAARO CCOc1ccc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cn2n1 ZINC000097097160 543004243 /nfs/dbraw/zinc/00/42/43/543004243.db2.gz LZYVEEFHNGOLAK-UHFFFAOYSA-N 1 0 357.458 2.219 50 0 FEAARO COc1cc(OC)c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c(OC)c1 ZINC000104527679 543133366 /nfs/dbraw/zinc/13/33/66/543133366.db2.gz LCDIIPIHJLKMSN-MRXNPFEDSA-N 1 0 366.502 2.237 50 0 FEAARO Cc1ccsc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000112505846 543449797 /nfs/dbraw/zinc/44/97/97/543449797.db2.gz RDSDYBYCFSYWCL-INIZCTEOSA-N 1 0 373.526 2.442 50 0 FEAARO C[N@@H+]1CCC[C@H](CN2CCN(C(=O)Nc3cccc(F)c3F)CC2)C1 ZINC000095522959 209074076 /nfs/dbraw/zinc/07/40/76/209074076.db2.gz SKWOHIVAOJAGBT-AWEZNQCLSA-N 1 0 352.429 2.456 50 0 FEAARO Cc1noc(C)c1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095530507 209078869 /nfs/dbraw/zinc/07/88/69/209078869.db2.gz WFRVPDBPVYOGEG-INIZCTEOSA-N 1 0 359.474 2.459 50 0 FEAARO CNC(=O)c1cccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000136984462 544382172 /nfs/dbraw/zinc/38/21/72/544382172.db2.gz ZBGFCSCUFVOTLL-UHFFFAOYSA-N 1 0 358.486 2.206 50 0 FEAARO CC(C)N1C[C@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1=O ZINC000150979228 544492522 /nfs/dbraw/zinc/49/25/22/544492522.db2.gz COGGADWOAXIBHQ-MRXNPFEDSA-N 1 0 356.470 2.398 50 0 FEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000151049370 263455790 /nfs/dbraw/zinc/45/57/90/263455790.db2.gz QNGQEVHKQJXQBK-SNVBAGLBSA-N 1 0 364.243 2.115 50 0 FEAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000187612990 328036052 /nfs/dbraw/zinc/03/60/52/328036052.db2.gz WCKADLGTBQNGQH-CQSZACIVSA-N 1 0 369.893 2.205 50 0 FEAARO Cc1nc(CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)c(C)s1 ZINC000122168432 326386408 /nfs/dbraw/zinc/38/64/08/326386408.db2.gz FKXLPIQZPUDXQG-UHFFFAOYSA-N 1 0 361.515 2.122 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)[C@H](O)C3CCCCC3)cc2C1 ZINC000082138361 519723002 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CC[NH+]1CCN(CC(=O)N2CCC(c3nc4c(cccc4C)[nH]3)CC2)CC1 ZINC000082096820 521673295 /nfs/dbraw/zinc/67/32/95/521673295.db2.gz HSEAZFSZTCGSQW-UHFFFAOYSA-N 1 0 369.513 2.215 50 0 FEAARO CCc1ccccc1OC1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C1 ZINC000252014353 521914183 /nfs/dbraw/zinc/91/41/83/521914183.db2.gz UTFXZAGOIFCHJW-IYBDPMFKSA-N 1 0 369.469 2.186 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000178980554 522088887 /nfs/dbraw/zinc/08/88/87/522088887.db2.gz XFRAGBAVZLREIZ-CYBMUJFWSA-N 1 0 355.276 2.458 50 0 FEAARO COc1cc(C[NH2+]CCN(C)C)ccc1Oc1nnnn1-c1ccccc1 ZINC000020018594 522451234 /nfs/dbraw/zinc/45/12/34/522451234.db2.gz IVZCHWUPOJZFNU-UHFFFAOYSA-N 1 0 368.441 2.114 50 0 FEAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000091468817 523204202 /nfs/dbraw/zinc/20/42/02/523204202.db2.gz ZLXYYVRFTCLXBL-UHFFFAOYSA-N 1 0 351.458 2.317 50 0 FEAARO CCn1ncc(C[NH+]2CCC3(CCC(=O)N(CCCOC)C3)CC2)c1C ZINC000091435339 523690118 /nfs/dbraw/zinc/69/01/18/523690118.db2.gz 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ZINC000179123789 526634672 /nfs/dbraw/zinc/63/46/72/526634672.db2.gz RTVNKSSOLIHOPH-SNVBAGLBSA-N 1 0 354.241 2.316 50 0 FEAARO O=C(CCc1[nH]nc2c1CCCC2)NCC[N@@H+]1CCc2ccccc2C1 ZINC000299785471 526643473 /nfs/dbraw/zinc/64/34/73/526643473.db2.gz RRBKQQXOXIALBG-UHFFFAOYSA-N 1 0 352.482 2.396 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000158557083 527346475 /nfs/dbraw/zinc/34/64/75/527346475.db2.gz ASAOSRZWJICJQP-QGZVFWFLSA-N 1 0 358.463 2.224 50 0 FEAARO COC(=O)c1scc(C)c1S(=O)(=O)N(CC[N@H+](C)C1CC1)C1CC1 ZINC000170618791 546166924 /nfs/dbraw/zinc/16/69/24/546166924.db2.gz KGITXQRMFBNDRB-UHFFFAOYSA-N 1 0 372.512 2.090 50 0 FEAARO [NH3+]CCCOC1CCN(C(=O)c2cccc(Oc3cnccn3)c2)CC1 ZINC000170677265 546169544 /nfs/dbraw/zinc/16/95/44/546169544.db2.gz XCSDWAGZRGDMPF-UHFFFAOYSA-N 1 0 356.426 2.239 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)[C@H](O)c3ccc4ccccc4c3)CC2)CC1 ZINC000215370507 548671194 /nfs/dbraw/zinc/67/11/94/548671194.db2.gz JAQXZKWXWNPZAG-OAQYLSRUSA-N 1 0 367.493 2.112 50 0 FEAARO O=C([C@@H]1CCCN1Cc1cnc(C2CCCCC2)nc1)N1CCOCC1 ZINC000215869635 548674474 /nfs/dbraw/zinc/67/44/74/548674474.db2.gz VURWXGPGNOLXCI-SFHVURJKSA-N 1 0 358.486 2.348 50 0 FEAARO C[N@@H+]1CCN2CCN(C(=O)CSCc3ccccc3Cl)C[C@@H]2C1 ZINC000218991920 548692006 /nfs/dbraw/zinc/69/20/06/548692006.db2.gz KRYUDLKZLHHUKR-HNNXBMFYSA-N 1 0 353.919 2.031 50 0 FEAARO O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000219317543 548693587 /nfs/dbraw/zinc/69/35/87/548693587.db2.gz SFKZRIDTRGZSPF-MOPGFXCFSA-N 1 0 362.470 2.192 50 0 FEAARO CN1CC[NH+](C[C@H]2CCCN(C(=O)c3ccnc4ccccc43)C2)CC1 ZINC000221397092 548705238 /nfs/dbraw/zinc/70/52/38/548705238.db2.gz ZXNUZNPWVYFHMW-QGZVFWFLSA-N 1 0 352.482 2.334 50 0 FEAARO COCCC[N@H+](Cc1cc2ccccc2n(C)c1=O)C1CCN(C)CC1 ZINC000222848192 548713558 /nfs/dbraw/zinc/71/35/58/548713558.db2.gz VCTMLSRHANEPRS-UHFFFAOYSA-N 1 0 357.498 2.471 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCC(OCc2ccccn2)CC1 ZINC000223082882 548715465 /nfs/dbraw/zinc/71/54/65/548715465.db2.gz ZWTHTUIXCKVGSW-UHFFFAOYSA-N 1 0 363.527 2.418 50 0 FEAARO Cn1nccc1[C@H](O)c1cc2n(n1)CCC[N@H+](CCCc1ccco1)C2 ZINC000223514074 548720661 /nfs/dbraw/zinc/72/06/61/548720661.db2.gz QEGJHIGQLGSQRY-LJQANCHMSA-N 1 0 355.442 2.130 50 0 FEAARO Cn1nc(-c2ccco2)cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000241439885 548884579 /nfs/dbraw/zinc/88/45/79/548884579.db2.gz NNCUMIBZFLZGJB-CQSZACIVSA-N 1 0 361.446 2.255 50 0 FEAARO Cc1ccc(NC(=O)CCN2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)cc1F ZINC000244719195 548894173 /nfs/dbraw/zinc/89/41/73/548894173.db2.gz LYQGMRRYKOZJAV-GOSISDBHSA-N 1 0 363.477 2.384 50 0 FEAARO CN(Cc1ccc(-n2cccn2)cc1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244795287 548896015 /nfs/dbraw/zinc/89/60/15/548896015.db2.gz RDHLWKNEXIJDEF-FZNQNYSPSA-N 1 0 350.426 2.119 50 0 FEAARO Cc1cccc2nc(CN3CCC([NH+]4CCSCC4)CC3)cc(=O)n12 ZINC000252509842 549670837 /nfs/dbraw/zinc/67/08/37/549670837.db2.gz YWQVNEFPODCBFM-UHFFFAOYSA-N 1 0 358.511 2.016 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000253412523 549687665 /nfs/dbraw/zinc/68/76/65/549687665.db2.gz RGKJYGWNNAUGDM-RBUKOAKNSA-N 1 0 368.485 2.058 50 0 FEAARO CC(C)C[N@H+]1CCc2nnc([C@H]3CCN(C(=O)c4ccccc4)C3)n2CC1 ZINC000257179881 549712713 /nfs/dbraw/zinc/71/27/13/549712713.db2.gz CZRTZZHVLCNSKC-SFHVURJKSA-N 1 0 367.497 2.422 50 0 FEAARO CCC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000257188258 549714335 /nfs/dbraw/zinc/71/43/35/549714335.db2.gz DWMUUFHPJUEMKS-SFHVURJKSA-N 1 0 351.535 2.210 50 0 FEAARO COc1cccc([C@H]2C[C@H](O)CN2C(=O)C2CCN(CC(F)F)CC2)c1 ZINC000285208261 551720474 /nfs/dbraw/zinc/72/04/74/551720474.db2.gz WYGYDYRQXYKZLX-DOTOQJQBSA-N 1 0 368.424 2.307 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000299754359 553610572 /nfs/dbraw/zinc/61/05/72/553610572.db2.gz CQSDLWHQRFEFJJ-SCTDSRPQSA-N 1 0 373.497 2.351 50 0 FEAARO Cn1ncc(-c2ccccc2)c1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000299756691 553611071 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FEAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCc1ccccn1)C2 ZINC000299777295 553613693 /nfs/dbraw/zinc/61/36/93/553613693.db2.gz MSOSQVWUOFBNMH-OAHLLOKOSA-N 1 0 355.438 2.380 50 0 FEAARO C[N@@H+]1CCCN(CC(=O)NCCc2nc(-c3ccccc3)cs2)CC1 ZINC000299780655 553614006 /nfs/dbraw/zinc/61/40/06/553614006.db2.gz BJDPFJPODGVALY-UHFFFAOYSA-N 1 0 358.511 2.106 50 0 FEAARO COc1ccc(F)c(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)c1 ZINC000299784120 553614453 /nfs/dbraw/zinc/61/44/53/553614453.db2.gz WNGSGPQNXZNAFZ-NZSAHSFTSA-N 1 0 353.434 2.355 50 0 FEAARO C[NH+](C)C[C@]1(CO)CCCN(C(=O)CCSCc2ccccc2)C1 ZINC000299789477 553615309 /nfs/dbraw/zinc/61/53/09/553615309.db2.gz VQAOQKQQECQJEL-LJQANCHMSA-N 1 0 350.528 2.473 50 0 FEAARO Cc1cnc(C)c(-c2cccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)n1 ZINC000299795080 553615844 /nfs/dbraw/zinc/61/58/44/553615844.db2.gz KYQIQWFPMNQXQS-OALUTQOASA-N 1 0 366.465 2.353 50 0 FEAARO Cc1nc2cc(CC(=O)N3CCCO[C@H](C[NH+]4CCCC4)C3)ccc2[nH]1 ZINC000299793903 553615980 /nfs/dbraw/zinc/61/59/80/553615980.db2.gz INTHLKKILQJKFS-QGZVFWFLSA-N 1 0 356.470 2.127 50 0 FEAARO O=C(CN1Cc2ccccc2C1)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299795556 553616001 /nfs/dbraw/zinc/61/60/01/553616001.db2.gz MHTJWXKOCYWYIB-HXUWFJFHSA-N 1 0 365.477 2.489 50 0 FEAARO O=S(=O)(c1ccccn1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000328821011 553827838 /nfs/dbraw/zinc/82/78/38/553827838.db2.gz QFLGFOSNEDEFPW-UHFFFAOYSA-N 1 0 357.479 2.293 50 0 FEAARO COc1cccc(CN(CC[NH+](C)C)S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000331114460 554215116 /nfs/dbraw/zinc/21/51/16/554215116.db2.gz UWXWSJQQMCXEBI-MRXNPFEDSA-N 1 0 369.531 2.178 50 0 FEAARO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375282234 558003912 /nfs/dbraw/zinc/00/39/12/558003912.db2.gz YMECVQLFXOYZGL-FQEVSTJZSA-N 1 0 359.470 2.266 50 0 FEAARO O=C(NCc1ccccc1OCc1ccccc1)NC[C@H]1C[NH2+]CCO1 ZINC000417140181 559349630 /nfs/dbraw/zinc/34/96/30/559349630.db2.gz PMXBDAUQDXOUHB-GOSISDBHSA-N 1 0 355.438 2.053 50 0 FEAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](Cc1cnn3cccnc13)CC2 ZINC000426493905 559735792 /nfs/dbraw/zinc/73/57/92/559735792.db2.gz CTBAUZMQMHUKTN-GOSISDBHSA-N 1 0 361.449 2.368 50 0 FEAARO Cc1ccc(-c2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)c2)nn1 ZINC000426521217 559736661 /nfs/dbraw/zinc/73/66/61/559736661.db2.gz KNLZHQIPPVNTFE-IBGZPJMESA-N 1 0 368.481 2.419 50 0 FEAARO Cc1ccc(F)c(CNC(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)c1F ZINC000426581005 559738234 /nfs/dbraw/zinc/73/82/34/559738234.db2.gz RBTGWDHRJVZSMX-UHFFFAOYSA-N 1 0 366.456 2.195 50 0 FEAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)N(CCCO)Cc1ccccc1Cl ZINC000426667156 559739820 /nfs/dbraw/zinc/73/98/20/559739820.db2.gz VJOBOASREXHEKF-QGZVFWFLSA-N 1 0 351.878 2.328 50 0 FEAARO Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2C(=O)c2onc3c2CCCC3)C1 ZINC000426711228 559740702 /nfs/dbraw/zinc/74/07/02/559740702.db2.gz GENSQVUFWGDHGH-LSDHHAIUSA-N 1 0 369.469 2.322 50 0 FEAARO CC(C)Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc(N)n1 ZINC000426734028 559741105 /nfs/dbraw/zinc/74/11/05/559741105.db2.gz ONCFFOCHGDHOCO-NRFANRHFSA-N 1 0 371.529 2.595 50 0 FEAARO CN(C(=O)c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000534649211 562539094 /nfs/dbraw/zinc/53/90/94/562539094.db2.gz PPHPOECXLNMXAT-QGZVFWFLSA-N 1 0 364.449 2.498 50 0 FEAARO Cn1nc(-c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)ccc1=O ZINC000534656651 562539490 /nfs/dbraw/zinc/53/94/90/562539490.db2.gz OYMSGOSVHQBQPV-UHFFFAOYSA-N 1 0 368.481 2.486 50 0 FEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1n[nH]c2c1CCC2 ZINC000409414066 570588648 /nfs/dbraw/zinc/58/86/48/570588648.db2.gz NCKNIIOBZSZSPS-CRAIPNDOSA-N 1 0 360.502 2.252 50 0 FEAARO C[C@H](NS(=O)(=O)c1sccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000583652139 570812533 /nfs/dbraw/zinc/81/25/33/570812533.db2.gz ZGSUHQPQTQSDIP-WPRPVWTQSA-N 1 0 353.307 2.320 50 0 FEAARO Cc1ccc(CCN2C[C@H](C(=O)NCC[NH+]3CCCCCC3)CC2=O)cc1 ZINC000004115503 571145552 /nfs/dbraw/zinc/14/55/52/571145552.db2.gz IXDYANAKPITBKV-HXUWFJFHSA-N 1 0 371.525 2.378 50 0 FEAARO CN1CC[NH+](CC2(CNC(=O)c3cnoc3-c3ccccc3)CC2)CC1 ZINC000426361432 571215494 /nfs/dbraw/zinc/21/54/94/571215494.db2.gz VPVQSAYRTPZXKG-UHFFFAOYSA-N 1 0 354.454 2.099 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000426370986 571216416 /nfs/dbraw/zinc/21/64/16/571216416.db2.gz MKNGZSAUQSUIPN-HXUWFJFHSA-N 1 0 368.437 2.079 50 0 FEAARO C[C@@H](CCn1cccn1)NC(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000426382914 571217612 /nfs/dbraw/zinc/21/76/12/571217612.db2.gz LENWZANATYNSPS-KRWDZBQOSA-N 1 0 367.497 2.156 50 0 FEAARO COc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)ccc1OCC[NH3+] ZINC000426438755 571225356 /nfs/dbraw/zinc/22/53/56/571225356.db2.gz PHULELCXXOOKGW-OAHLLOKOSA-N 1 0 369.343 2.461 50 0 FEAARO O=C(CN1CCOc2ccccc2C1)N1CC[C@](O)(c2ccccc2)C1 ZINC000230555569 571309520 /nfs/dbraw/zinc/30/95/20/571309520.db2.gz IWSFDZRWJNGYMX-OAQYLSRUSA-N 1 0 352.434 2.001 50 0 FEAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+]([C@H](C)CO)CC2 ZINC000014751375 670009313 /nfs/dbraw/zinc/00/93/13/670009313.db2.gz XURYFEKGMNNGON-MRXNPFEDSA-N 1 0 353.507 2.168 50 0 FEAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020166227 670029974 /nfs/dbraw/zinc/02/99/74/670029974.db2.gz YXRPRXMBVBLOMF-ZDUSSCGKSA-N 1 0 354.435 2.339 50 0 FEAARO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1 ZINC000193297992 672719310 /nfs/dbraw/zinc/71/93/10/672719310.db2.gz OAIAFHDSAUNIEY-UHFFFAOYSA-N 1 0 374.478 2.179 50 0 FEAARO Cc1c(CCOC(=O)c2ccccc2)sc[n+]1Cc1cnc(C)nc1N ZINC000003209500 539360573 /nfs/dbraw/zinc/36/05/73/539360573.db2.gz GNYVAYJQLIFKQR-UHFFFAOYSA-N 1 0 369.470 2.472 50 0 FEAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)Cn2ccc3ccccc32)C1 ZINC000003999815 539374430 /nfs/dbraw/zinc/37/44/30/539374430.db2.gz IFMBCKPKASNHBO-UHOSZYNNSA-N 1 0 363.461 2.283 50 0 biogenic FEAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC000006221819 539423828 /nfs/dbraw/zinc/42/38/28/539423828.db2.gz DXWLFRYXRWLRAD-UHFFFAOYSA-N 1 0 372.918 2.342 50 0 FEAARO COc1c2c(c(CNC(=O)c3ccccc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000006624655 539431792 /nfs/dbraw/zinc/43/17/92/539431792.db2.gz XWQJEBPLPSCFIL-UHFFFAOYSA-N 1 0 354.406 2.342 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000010331921 539516166 /nfs/dbraw/zinc/51/61/66/539516166.db2.gz UNIPRUREMJVEPQ-MRXNPFEDSA-N 1 0 369.421 2.081 50 0 FEAARO CC(C)[N@H+](CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)Cc1ccccc1 ZINC000011036674 539523622 /nfs/dbraw/zinc/52/36/22/539523622.db2.gz HLBSFQYUJFQTNT-LJQANCHMSA-N 1 0 367.449 2.177 50 0 FEAARO C1CCN(c2nc3nonc3nc2N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000012072690 539541787 /nfs/dbraw/zinc/54/17/87/539541787.db2.gz IAXSDGABGGCERJ-UHFFFAOYSA-N 1 0 357.462 2.068 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3c(C)cc(C)[nH]c3=O)C2)c1 ZINC000012584405 539567097 /nfs/dbraw/zinc/56/70/97/539567097.db2.gz YXVXBNRIYFALHM-QGZVFWFLSA-N 1 0 369.465 2.395 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000012594307 539566558 /nfs/dbraw/zinc/56/65/58/539566558.db2.gz WQLNJSCZUWACRX-UHFFFAOYSA-N 1 0 362.437 2.271 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cn2)CC1 ZINC000012613692 539568044 /nfs/dbraw/zinc/56/80/44/539568044.db2.gz XRAKVOAIRMJJHR-UHFFFAOYSA-N 1 0 362.437 2.271 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000014122707 539595833 /nfs/dbraw/zinc/59/58/33/539595833.db2.gz VNIUCFUOUQLQRS-SFHVURJKSA-N 1 0 367.449 2.221 50 0 FEAARO COc1cccc(CCC(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000015073330 539611566 /nfs/dbraw/zinc/61/15/66/539611566.db2.gz GHGKVNGPXSSTIM-GOSISDBHSA-N 1 0 359.514 2.303 50 0 FEAARO COc1cc(C[C@@H]2CC(C[NH2+]CC3CCOCC3)=NO2)cc2c1OCO2 ZINC000015085780 539611653 /nfs/dbraw/zinc/61/16/53/539611653.db2.gz MKSDHDCWWWKTFP-MRXNPFEDSA-N 1 0 362.426 2.128 50 0 FEAARO C[NH2+]C1(c2nnnn2-c2ccccc2C(=O)OC)C2CC3CC(C2)CC1C3 ZINC000015414424 539617773 /nfs/dbraw/zinc/61/77/73/539617773.db2.gz HHXCDFMNLGYWHT-UHFFFAOYSA-N 1 0 367.453 2.320 50 0 FEAARO CCOc1ccccc1CNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000015679423 539621784 /nfs/dbraw/zinc/62/17/84/539621784.db2.gz VTIWQCLLSNVHNZ-UHFFFAOYSA-N 1 0 372.465 2.429 50 0 FEAARO Cc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)c2c1 ZINC000253536509 209948426 /nfs/dbraw/zinc/94/84/26/209948426.db2.gz UEEVRUBQRSZKNX-ROUUACIJSA-N 1 0 355.438 2.232 50 0 FEAARO Cc1nn(CC(=O)NCCC[NH+](C)C)c2nc(C)cc(C(F)(F)F)c12 ZINC000020602454 539676011 /nfs/dbraw/zinc/67/60/11/539676011.db2.gz KETGXHPGELJVKH-UHFFFAOYSA-N 1 0 357.380 2.135 50 0 FEAARO CC(C)C[N@@H+]1CCN(Cc2sc(N(C)C)nc2Cl)C[C@@H]1CCO ZINC000019792678 539669217 /nfs/dbraw/zinc/66/92/17/539669217.db2.gz WOQMEYOTMWVGCC-ZDUSSCGKSA-N 1 0 360.955 2.387 50 0 FEAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCN4CCOCC4)[C@H]3C=C12 ZINC000020113291 539672316 /nfs/dbraw/zinc/67/23/16/539672316.db2.gz UHKHUDBVTXBLLN-YAOJWGSESA-N 1 0 362.514 2.222 50 0 FEAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000020256903 539673160 /nfs/dbraw/zinc/67/31/60/539673160.db2.gz XTJNADRCIKHDHR-HXUWFJFHSA-N 1 0 372.557 2.376 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccc1OC ZINC000021868507 539688266 /nfs/dbraw/zinc/68/82/66/539688266.db2.gz QHHVIWCZXUMYEI-UHFFFAOYSA-N 1 0 358.438 2.039 50 0 FEAARO CN1N=C(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1=O ZINC000021971794 539690360 /nfs/dbraw/zinc/69/03/60/539690360.db2.gz YRKPQOOXKZYAHX-UHFFFAOYSA-N 1 0 362.861 2.029 50 0 FEAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccc(F)cc2)CC1 ZINC000022783036 539698534 /nfs/dbraw/zinc/69/85/34/539698534.db2.gz KDUWQRFJUOTGGD-FQEVSTJZSA-N 1 0 371.456 2.309 50 0 FEAARO Cc1cccc(OCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000024771695 539740759 /nfs/dbraw/zinc/74/07/59/539740759.db2.gz SMNCDECZFPWUSB-GFCCVEGCSA-N 1 0 361.364 2.082 50 0 FEAARO COCC[NH+]1CCC(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2C[C@@H](O)C2)CC1 ZINC000243932095 209899679 /nfs/dbraw/zinc/89/96/79/209899679.db2.gz BSRSMPATNDKYBK-NZSAHSFTSA-N 1 0 364.461 2.112 50 0 FEAARO CC(C)c1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000025764483 539768044 /nfs/dbraw/zinc/76/80/44/539768044.db2.gz NIAPNSAWYBGWMH-RBUKOAKNSA-N 1 0 362.514 2.346 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)c1cccc(F)c1 ZINC000027591517 539811031 /nfs/dbraw/zinc/81/10/31/539811031.db2.gz GAUVFQVTDGRRQX-KRWDZBQOSA-N 1 0 358.417 2.027 50 0 FEAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)nnn1-c1cccc2cnccc21 ZINC000225476334 209813522 /nfs/dbraw/zinc/81/35/22/209813522.db2.gz VSPWKGPJZFDUMA-DOMZBBRYSA-N 1 0 350.426 2.076 50 0 FEAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccnc1-n1cncn1 ZINC000040094706 540006361 /nfs/dbraw/zinc/00/63/61/540006361.db2.gz BUWPXMTVMPMLFV-UHFFFAOYSA-N 1 0 364.453 2.433 50 0 FEAARO CC(=O)c1cc(C(=O)N2CCC(CO)(C[NH+]3CCCC3)CC2)cs1 ZINC000222259345 209722060 /nfs/dbraw/zinc/72/20/60/209722060.db2.gz LQHWJNZDFBQVIO-UHFFFAOYSA-N 1 0 350.484 2.261 50 0 FEAARO O=C(NCc1ccc(F)cc1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127380 209703837 /nfs/dbraw/zinc/70/38/37/209703837.db2.gz KQKMQHKKPIHWQF-UHFFFAOYSA-N 1 0 361.461 2.213 50 0 FEAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1 ZINC000055242652 540639156 /nfs/dbraw/zinc/63/91/56/540639156.db2.gz YXEFYCCKNQDHBK-UHFFFAOYSA-N 1 0 372.429 2.070 50 0 FEAARO Cc1nc[nH]c1C[NH+]1CCC(Cc2nnc(CO)n2-c2ccccc2)CC1 ZINC000055041984 540623602 /nfs/dbraw/zinc/62/36/02/540623602.db2.gz AUJZHQPHWNPFRU-UHFFFAOYSA-N 1 0 366.469 2.246 50 0 FEAARO CCOc1cc(C[NH2+]CCO)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000058067181 540828531 /nfs/dbraw/zinc/82/85/31/540828531.db2.gz QNXAZWTXXUURBE-UHFFFAOYSA-N 1 0 352.475 2.191 50 0 FEAARO Cc1cc(NC(=O)C[NH2+]Cc2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000058142372 540829856 /nfs/dbraw/zinc/82/98/56/540829856.db2.gz BSSQGKAIGZCHPR-UHFFFAOYSA-N 1 0 350.426 2.316 50 0 FEAARO COc1ccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000058167833 540830652 /nfs/dbraw/zinc/83/06/52/540830652.db2.gz HEIBFLSRIYLURG-MRXNPFEDSA-N 1 0 367.449 2.440 50 0 FEAARO CSc1ncccc1C(=O)NCc1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000058161481 540830674 /nfs/dbraw/zinc/83/06/74/540830674.db2.gz AKPHJCNYQWPLOE-UHFFFAOYSA-N 1 0 371.510 2.270 50 0 FEAARO OC1(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CCOCC1 ZINC000238147832 209359188 /nfs/dbraw/zinc/35/91/88/209359188.db2.gz OKPSXGUYGBRWFJ-UHFFFAOYSA-N 1 0 366.259 2.470 50 0 FEAARO O=C(CN1CC[NH+](CCc2cccs2)CC1)NC(=O)Nc1ccccc1 ZINC000058178341 540831162 /nfs/dbraw/zinc/83/11/62/540831162.db2.gz BYQWRDHYKKWAMV-UHFFFAOYSA-N 1 0 372.494 2.257 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000237320551 209345823 /nfs/dbraw/zinc/34/58/23/209345823.db2.gz WVDAHCHAIJWQOB-LLVKDONJSA-N 1 0 352.378 2.205 50 0 FEAARO COc1ccccc1CN(C(=O)c1nnn(C2CC[NH2+]CC2)c1C)C1CC1 ZINC000237160596 209336114 /nfs/dbraw/zinc/33/61/14/209336114.db2.gz ZUXXPADNEVQPQE-UHFFFAOYSA-N 1 0 369.469 2.324 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1 ZINC000065497342 541241206 /nfs/dbraw/zinc/24/12/06/541241206.db2.gz WIHQJLBTFILOND-ZDUSSCGKSA-N 1 0 353.413 2.166 50 0 FEAARO CCn1ncc(NC(=O)c2cccc(C[N@@H+]3CCCC[C@@H]3CCO)c2)n1 ZINC000065494903 541241266 /nfs/dbraw/zinc/24/12/66/541241266.db2.gz GOSZGAUIGXOERD-QGZVFWFLSA-N 1 0 357.458 2.287 50 0 FEAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)Nc2ccncc2)CC1 ZINC000065986470 541276624 /nfs/dbraw/zinc/27/66/24/541276624.db2.gz PLVXUZIIVAXUMA-UHFFFAOYSA-N 1 0 373.501 2.318 50 0 FEAARO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000067605125 541487876 /nfs/dbraw/zinc/48/78/76/541487876.db2.gz QOFBZTPLUOHFKE-INIZCTEOSA-N 1 0 366.469 2.167 50 0 FEAARO CCNc1nc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000067612868 541490141 /nfs/dbraw/zinc/49/01/41/541490141.db2.gz CWAAKVKENSDHPP-UHFFFAOYSA-N 1 0 357.433 2.247 50 0 FEAARO CC(C)[NH+]1CCC(NC[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067675480 541497737 /nfs/dbraw/zinc/49/77/37/541497737.db2.gz NDNULVQUNZPLCQ-JOCHJYFZSA-N 1 0 373.541 2.045 50 0 FEAARO CN(C)c1nc2c(c(N(C)C[C@H]3CCN(c4ccccc4)C3)n1)CC[NH2+]C2 ZINC000067678864 541497762 /nfs/dbraw/zinc/49/77/62/541497762.db2.gz QDQIXUGLBLITOR-MRXNPFEDSA-N 1 0 366.513 2.151 50 0 FEAARO Cc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067674854 541498036 /nfs/dbraw/zinc/49/80/36/541498036.db2.gz LHBGJLQLBDWQBV-AWEZNQCLSA-N 1 0 364.457 2.087 50 0 FEAARO COc1ccc2[nH]c(C(=O)N3CCC[N@H+](C)C4(CCN(C)CC4)C3)cc2c1 ZINC000067695120 541500512 /nfs/dbraw/zinc/50/05/12/541500512.db2.gz SOHJDBMIGLYXRB-UHFFFAOYSA-N 1 0 370.497 2.419 50 0 FEAARO CCC1([NH2+]C[C@@]2(O)CCCN(Cc3cccc(OC)c3OC)C2=O)CC1 ZINC000067726089 541505715 /nfs/dbraw/zinc/50/57/15/541505715.db2.gz KYXPPKVGAMOVRC-FQEVSTJZSA-N 1 0 362.470 2.090 50 0 FEAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000067783760 541513772 /nfs/dbraw/zinc/51/37/72/541513772.db2.gz BWLLYKOIEGJIQU-NRFANRHFSA-N 1 0 374.481 2.091 50 0 FEAARO CN1CCC2(CC1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCC[N@@H+]2C ZINC000067754308 541508615 /nfs/dbraw/zinc/50/86/15/541508615.db2.gz VJBGRQSDNIOTON-UHFFFAOYSA-N 1 0 367.497 2.319 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1coc2cc(C)ccc12 ZINC000067754944 541508635 /nfs/dbraw/zinc/50/86/35/541508635.db2.gz JMRZAESVEDRJNT-WBVHZDCISA-N 1 0 357.454 2.080 50 0 FEAARO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)on1 ZINC000067818313 541517769 /nfs/dbraw/zinc/51/77/69/541517769.db2.gz VHKSESINHGNYNA-NRFANRHFSA-N 1 0 371.481 2.401 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1CC1=Cc2cc(Cl)ccc2OC1 ZINC000067850979 541520651 /nfs/dbraw/zinc/52/06/51/541520651.db2.gz ZHZJSOGQDLOWDL-IRXDYDNUSA-N 1 0 363.889 2.386 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCN3CCCC3)C2=O)cc1 ZINC000067856350 541521049 /nfs/dbraw/zinc/52/10/49/541521049.db2.gz FSHXGNMHODCWQU-QFIPXVFZSA-N 1 0 373.541 2.349 50 0 FEAARO Nc1nnc(CCCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)s1 ZINC000067868791 541522527 /nfs/dbraw/zinc/52/25/27/541522527.db2.gz MFQAOQQPQNQPQF-UHFFFAOYSA-N 1 0 367.482 2.268 50 0 FEAARO CCOc1ccc(N2C(=O)C[C@@H](NCC[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000100789198 209217914 /nfs/dbraw/zinc/21/79/14/209217914.db2.gz YZKGQBZYRBGZEF-GOSISDBHSA-N 1 0 359.470 2.039 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cnn(-c2ccc(C(C)C)cc2)c1 ZINC000067935138 541530540 /nfs/dbraw/zinc/53/05/40/541530540.db2.gz XQNFEEFACQSKRC-HKUYNNGSSA-N 1 0 355.486 2.033 50 0 FEAARO COc1ccc(/C=C\C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000098059523 209203459 /nfs/dbraw/zinc/20/34/59/209203459.db2.gz XPNGDYDQPWDLSJ-SECOEOQKSA-N 1 0 362.470 2.070 50 0 FEAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000097551357 209186442 /nfs/dbraw/zinc/18/64/42/209186442.db2.gz YPMJINAYIVNLLX-FQEVSTJZSA-N 1 0 365.437 2.466 50 0 FEAARO CC(C)[C@H]1CN(C(=O)Cn2cncn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071708037 541768265 /nfs/dbraw/zinc/76/82/65/541768265.db2.gz ZUNCNTRMMGXSSP-GOSISDBHSA-N 1 0 359.449 2.176 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)c3cc(C)n[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000071762132 541770877 /nfs/dbraw/zinc/77/08/77/541770877.db2.gz PCXHBBHSMWBVPG-DFQSSKMNSA-N 1 0 366.465 2.429 50 0 FEAARO Cc1c(CNC(=O)C2([NH+]3CCCCC3)Cc3ccccc3C2)cnn1C ZINC000072134610 541786059 /nfs/dbraw/zinc/78/60/59/541786059.db2.gz LLJPTWRJDZYNIN-UHFFFAOYSA-N 1 0 352.482 2.368 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H]([NH3+])[C@@H]3O)ccc1O ZINC000072149812 541789043 /nfs/dbraw/zinc/78/90/43/541789043.db2.gz PQZTVQIVGPJTKQ-MOPGFXCFSA-N 1 0 352.434 2.249 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072148978 541789085 /nfs/dbraw/zinc/78/90/85/541789085.db2.gz QYLBNKNAWRKPLK-CEWLAPEOSA-N 1 0 363.461 2.386 50 0 FEAARO CC(C)OCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151046 541789600 /nfs/dbraw/zinc/78/96/00/541789600.db2.gz CLHKHURQHPMYJV-ZLGUVYLKSA-N 1 0 372.465 2.229 50 0 FEAARO O=C(c1cnc2cccnn12)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072151666 541789796 /nfs/dbraw/zinc/78/97/96/541789796.db2.gz GVYPIIQCYXZUFA-GOSISDBHSA-N 1 0 361.449 2.045 50 0 FEAARO COc1c[nH]c(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1=O ZINC000072153167 541790946 /nfs/dbraw/zinc/79/09/46/541790946.db2.gz NSDIIYZZHFIDMM-KRWDZBQOSA-N 1 0 367.449 2.459 50 0 FEAARO c1c(CN2CCC(c3nnc4n3CCCCC4)CC2)nn2c1C[NH2+]CCC2 ZINC000072154372 541790910 /nfs/dbraw/zinc/79/09/10/541790910.db2.gz OAEDEESKXKOJCN-UHFFFAOYSA-N 1 0 369.517 2.074 50 0 FEAARO Cc1cn2c(nc(C[N@@H+]3CCCC[C@@H]3CCN3CCCC3=O)cc2=O)s1 ZINC000072162960 541792062 /nfs/dbraw/zinc/79/20/62/541792062.db2.gz QZHVFUJLXDLKAZ-MRXNPFEDSA-N 1 0 374.510 2.431 50 0 FEAARO CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCC2)cc1 ZINC000072168736 541795199 /nfs/dbraw/zinc/79/51/99/541795199.db2.gz CWYOKNXWYUBQFO-SJORKVTESA-N 1 0 365.499 2.241 50 0 FEAARO COC(=O)NCC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072407283 541805641 /nfs/dbraw/zinc/80/56/41/541805641.db2.gz DOUIFQGAHPSSJG-FQEVSTJZSA-N 1 0 359.470 2.247 50 0 FEAARO CCc1nc2c(c(N3CCCOCC3)n1)CC[N@H+](Cc1ccoc1)CC2 ZINC000072410225 541807534 /nfs/dbraw/zinc/80/75/34/541807534.db2.gz JAXUMCRBEWFIFV-UHFFFAOYSA-N 1 0 356.470 2.460 50 0 FEAARO CC(=O)c1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)[nH]n1 ZINC000072425341 541810695 /nfs/dbraw/zinc/81/06/95/541810695.db2.gz XEOANOJYMHTGBD-UHFFFAOYSA-N 1 0 356.470 2.339 50 0 FEAARO Cc1nc(CCCNC(=O)CCc2cc3n(n2)CCC[NH2+]C3)sc1C ZINC000072426114 541810814 /nfs/dbraw/zinc/81/08/14/541810814.db2.gz HUFKMPGIMQPWJC-UHFFFAOYSA-N 1 0 361.515 2.131 50 0 FEAARO Cc1nonc1CN(C)c1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 ZINC000072432280 541812609 /nfs/dbraw/zinc/81/26/09/541812609.db2.gz YOYIWWOHWDYQGK-UHFFFAOYSA-N 1 0 350.426 2.160 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2cc(OC)cc(OC)c2)n1 ZINC000072438016 541814119 /nfs/dbraw/zinc/81/41/19/541814119.db2.gz INLXDCRFWIYRGW-UHFFFAOYSA-N 1 0 359.430 2.076 50 0 FEAARO Cc1nc[nH]c1CSCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072428065 541811518 /nfs/dbraw/zinc/81/15/18/541811518.db2.gz QZFDTXKEDPVJPO-UHFFFAOYSA-N 1 0 357.487 2.205 50 0 FEAARO Cc1ccc(SCCN(C)C(=O)CCc2cc3n(n2)CC[NH2+]C3)cc1 ZINC000072454771 541817009 /nfs/dbraw/zinc/81/70/09/541817009.db2.gz MCCMUOMPEBJVRA-UHFFFAOYSA-N 1 0 358.511 2.478 50 0 FEAARO CCOC(=O)N1CCC(n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072469415 541818963 /nfs/dbraw/zinc/81/89/63/541818963.db2.gz KFGRWLQDWTUUDK-UHFFFAOYSA-N 1 0 358.446 2.033 50 0 FEAARO c1cn([C@H](CCn2cncn2)c2ccccc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072480726 541821516 /nfs/dbraw/zinc/82/15/16/541821516.db2.gz GACFSPRRAZGBBD-LJQANCHMSA-N 1 0 374.452 2.121 50 0 FEAARO CCc1nc2c(c(NCC3(Cn4nc(C)cc4C)CC3)n1)CC[NH2+]CC2 ZINC000072480834 541821625 /nfs/dbraw/zinc/82/16/25/541821625.db2.gz NXYKLUYQMCGWLK-UHFFFAOYSA-N 1 0 354.502 2.433 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccco2)CC1)c1ccc2c(c1)ncn2CCO ZINC000097272362 209177777 /nfs/dbraw/zinc/17/77/77/209177777.db2.gz FXOHTZSQXPAWCJ-UHFFFAOYSA-N 1 0 368.437 2.016 50 0 FEAARO Cc1ccccc1[C@@H](CNC(=O)Cn1cccnc1=O)[NH+]1CCC(C)CC1 ZINC000097288881 209177197 /nfs/dbraw/zinc/17/71/97/209177197.db2.gz VRANXKQYZLPJGU-LJQANCHMSA-N 1 0 368.481 2.141 50 0 FEAARO [NH3+][C@@H]1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 ZINC000097019411 209166557 /nfs/dbraw/zinc/16/65/57/209166557.db2.gz MFVMERMOYDEEEH-GFCCVEGCSA-N 1 0 357.414 2.308 50 0 FEAARO CCn1nc(CC2CC[NH+](C)CC2)nc1[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000096138896 209118805 /nfs/dbraw/zinc/11/88/05/209118805.db2.gz FZUWMMSPQKMSGA-MRXNPFEDSA-N 1 0 359.518 2.441 50 0 FEAARO NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CCCCCC3)c1 ZINC000075105997 542152458 /nfs/dbraw/zinc/15/24/58/542152458.db2.gz TWJPDORJAPOQBR-UHFFFAOYSA-N 1 0 365.499 2.319 50 0 FEAARO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000075105861 542152876 /nfs/dbraw/zinc/15/28/76/542152876.db2.gz GNXZORSLDXWZIB-UHFFFAOYSA-N 1 0 368.499 2.343 50 0 FEAARO COc1cccc(C[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2OC)c1 ZINC000006605262 207148823 /nfs/dbraw/zinc/14/88/23/207148823.db2.gz QXVNBRVVDGNTKI-QGZVFWFLSA-N 1 0 359.422 2.436 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(OCC)cc2)C1 ZINC000007015295 207183716 /nfs/dbraw/zinc/18/37/16/207183716.db2.gz UWOQFBPMANMXKP-HOTGVXAUSA-N 1 0 351.443 2.100 50 0 FEAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000008715483 207243360 /nfs/dbraw/zinc/24/33/60/207243360.db2.gz IXIRVLPCOXHRFN-UHFFFAOYSA-N 1 0 361.467 2.416 50 0 FEAARO O=C(NCCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011707336 207317926 /nfs/dbraw/zinc/31/79/26/207317926.db2.gz ZEBJAXSUYFYKRY-QGZVFWFLSA-N 1 0 373.497 2.051 50 0 FEAARO O=C(NCCc1ccco1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011707348 207318396 /nfs/dbraw/zinc/31/83/96/207318396.db2.gz ZEBJAXSUYFYKRY-KRWDZBQOSA-N 1 0 373.497 2.051 50 0 FEAARO C[NH+](C)C1(C(=O)NCC[C@@H]2COc3ccccc3O2)Cc2ccccc2C1 ZINC000011842227 207326082 /nfs/dbraw/zinc/32/60/82/207326082.db2.gz BIOMCUFRFOTIKK-GOSISDBHSA-N 1 0 366.461 2.432 50 0 FEAARO COc1cc(OC)cc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)c1 ZINC000012196173 207346076 /nfs/dbraw/zinc/34/60/76/207346076.db2.gz XIQMZQDAGOLNAS-QGZVFWFLSA-N 1 0 372.421 2.465 50 0 FEAARO COCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(OC)cc3OC)CC[C@@H]21 ZINC000012281096 207354260 /nfs/dbraw/zinc/35/42/60/207354260.db2.gz JUWFWKUWXKQIAI-QAPCUYQASA-N 1 0 362.470 2.163 50 0 FEAARO CN(Cc1cnn(C)c1)c1ccc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000012578783 207395472 /nfs/dbraw/zinc/39/54/72/207395472.db2.gz VEYGMTWXOZRJFL-GOSISDBHSA-N 1 0 370.501 2.056 50 0 FEAARO C[NH+](C)Cc1ccc(CNC(=O)CCn2cnc3sccc3c2=O)cc1 ZINC000012948549 207440558 /nfs/dbraw/zinc/44/05/58/207440558.db2.gz SACZIBDBRDHGKS-UHFFFAOYSA-N 1 0 370.478 2.226 50 0 FEAARO COc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)nc2ccccc21 ZINC000077300724 542363183 /nfs/dbraw/zinc/36/31/83/542363183.db2.gz AORDFLDGXLGISZ-OAQYLSRUSA-N 1 0 369.465 2.306 50 0 FEAARO Cc1cnc(CN2C[C@]3(CCC[N@@H+](C4CCOCC4)C3)CCC2=O)cn1 ZINC000077299190 542363277 /nfs/dbraw/zinc/36/32/77/542363277.db2.gz VCTMVPURYAHVCM-HXUWFJFHSA-N 1 0 358.486 2.169 50 0 FEAARO COc1ccccc1[C@H](C)[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032850949 208049865 /nfs/dbraw/zinc/04/98/65/208049865.db2.gz VYZDSTIFLMRPPE-ZDUSSCGKSA-N 1 0 350.440 2.072 50 0 FEAARO NC(=O)[C@H]1CCC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000032870798 208050925 /nfs/dbraw/zinc/05/09/25/208050925.db2.gz QDGUFKXXNWFSGR-IBGZPJMESA-N 1 0 365.477 2.480 50 0 FEAARO Cn1ncc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1-n1cccc1 ZINC000032730753 208036826 /nfs/dbraw/zinc/03/68/26/208036826.db2.gz YPHWCGOLWOWDIP-QGZVFWFLSA-N 1 0 355.417 2.383 50 0 FEAARO CC[C@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1C)[NH+]1CCCC1 ZINC000032916559 208056457 /nfs/dbraw/zinc/05/64/57/208056457.db2.gz XTVVRHVPVZPZCC-CQSZACIVSA-N 1 0 356.488 2.165 50 0 FEAARO CC[NH+](CC)CCNC(=O)CSc1nc2ncccc2n2cccc12 ZINC000033012062 208065407 /nfs/dbraw/zinc/06/54/07/208065407.db2.gz BBTLGUWMSSVADS-UHFFFAOYSA-N 1 0 357.483 2.433 50 0 FEAARO C[NH+]1CCN(CCCNC(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 ZINC000035477840 208126918 /nfs/dbraw/zinc/12/69/18/208126918.db2.gz CVAFXBNFVBYMQM-UHFFFAOYSA-N 1 0 351.454 2.083 50 0 FEAARO Cc1c(C(=O)N2CCC(C)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000069810303 208121520 /nfs/dbraw/zinc/12/15/20/208121520.db2.gz DNYJSAFFYGMWST-UHFFFAOYSA-N 1 0 353.470 2.436 50 0 FEAARO CC[NH+](CC)CCNS(=O)(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000036352547 208157761 /nfs/dbraw/zinc/15/77/61/208157761.db2.gz LMGANSSLZRJBNL-UHFFFAOYSA-N 1 0 350.488 2.109 50 0 FEAARO C[NH+]1CCC(CCNC(=O)c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000036619238 208168282 /nfs/dbraw/zinc/16/82/82/208168282.db2.gz GZIJCEYVWRTCHJ-UHFFFAOYSA-N 1 0 364.453 2.253 50 0 FEAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COCC(C)C ZINC000036095694 208142837 /nfs/dbraw/zinc/14/28/37/208142837.db2.gz CTINUCNBSWWWJG-KRWDZBQOSA-N 1 0 355.475 2.186 50 0 FEAARO COC(=O)c1ccc(C[NH+]2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc1 ZINC000077154192 208195188 /nfs/dbraw/zinc/19/51/88/208195188.db2.gz SZDNIDDIBNFCCC-UHFFFAOYSA-N 1 0 370.453 2.083 50 0 FEAARO Cc1c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cnn1C ZINC000040087732 208223723 /nfs/dbraw/zinc/22/37/23/208223723.db2.gz ZFFYGRZJMZFBPZ-GJZGRUSLSA-N 1 0 356.470 2.268 50 0 FEAARO CCC[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040721191 208263785 /nfs/dbraw/zinc/26/37/85/208263785.db2.gz IWFZKTSKQZSVOU-HXUWFJFHSA-N 1 0 369.465 2.489 50 0 FEAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000299739040 208324202 /nfs/dbraw/zinc/32/42/02/208324202.db2.gz JSHOLPYHSWVLQB-TVKQPGBESA-N 1 0 359.514 2.495 50 0 FEAARO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738505 208324627 /nfs/dbraw/zinc/32/46/27/208324627.db2.gz BRVKBFYLQGKYNR-ZDUSSCGKSA-N 1 0 355.467 2.275 50 0 FEAARO Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)C(=O)c3ccco3)CC2)cc1 ZINC000047455877 208381677 /nfs/dbraw/zinc/38/16/77/208381677.db2.gz NQXFFYGACTUATP-UHFFFAOYSA-N 1 0 369.465 2.395 50 0 FEAARO NC(=O)CNC(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000047798893 208382180 /nfs/dbraw/zinc/38/21/80/208382180.db2.gz FWQJYXWTZZJWLH-UHFFFAOYSA-N 1 0 366.248 2.498 50 0 FEAARO CN(C)Cc1cn(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048135066 208386915 /nfs/dbraw/zinc/38/69/15/208386915.db2.gz JXOJWXGOBXENGH-QGZVFWFLSA-N 1 0 371.485 2.023 50 0 FEAARO C[NH+]1CCC(NC(=O)Cn2c3ccccc3n(C3=CCCCC3)c2=O)CC1 ZINC000048265121 208392738 /nfs/dbraw/zinc/39/27/38/208392738.db2.gz GPFBEKNRTWRGEL-UHFFFAOYSA-N 1 0 368.481 2.428 50 0 FEAARO Cn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000048302393 208398730 /nfs/dbraw/zinc/39/87/30/208398730.db2.gz ZEZVZBACYWXKNV-GOSISDBHSA-N 1 0 361.449 2.486 50 0 FEAARO Cn1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)ccc1=O ZINC000077354782 542371244 /nfs/dbraw/zinc/37/12/44/542371244.db2.gz JVOOHVPRLCYYCM-UHFFFAOYSA-N 1 0 355.482 2.112 50 0 FEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1)NC1CC1 ZINC000077379356 542375352 /nfs/dbraw/zinc/37/53/52/542375352.db2.gz FVCVIABDQDINSV-QFIPXVFZSA-N 1 0 369.509 2.212 50 0 FEAARO CC(=O)N1CCO[C@@H](Cn2ccnc2-c2cc(C[NH+]3CCCC3)cs2)C1 ZINC000077486857 542388207 /nfs/dbraw/zinc/38/82/07/542388207.db2.gz LLOZPHXHHRFYQJ-QGZVFWFLSA-N 1 0 374.510 2.455 50 0 FEAARO CCCC[C@H]([NH3+])C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1 ZINC000071755311 208775219 /nfs/dbraw/zinc/77/52/19/208775219.db2.gz RGMWSDJMAWQTSN-HNNXBMFYSA-N 1 0 368.485 2.007 50 0 FEAARO CO[C@H]1CN(c2nnnn2-c2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000071479567 208766446 /nfs/dbraw/zinc/76/64/46/208766446.db2.gz NJEPCYGVKYWERE-MSOLQXFVSA-N 1 0 366.425 2.007 50 0 FEAARO CN(c1ncccc1C(=O)N1C[C@H](CO)[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000091586034 208982822 /nfs/dbraw/zinc/98/28/22/208982822.db2.gz QMBSBLFTMCUUEE-IAGOWNOFSA-N 1 0 374.529 2.093 50 0 FEAARO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@H]2CO)CC1 ZINC000091906755 209003533 /nfs/dbraw/zinc/00/35/33/209003533.db2.gz OVZNFSZVTMAGJF-IAGOWNOFSA-N 1 0 369.912 2.157 50 0 FEAARO Cc1ccc(-c2ncc(C(=O)N3CCC([NH+]4CCCC4)CC3)c(=O)[nH]2)cc1 ZINC000091894878 209003967 /nfs/dbraw/zinc/00/39/67/209003967.db2.gz ICNRZZQEUXRHMR-UHFFFAOYSA-N 1 0 366.465 2.446 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cn2ccnc2)C3)cc1 ZINC000091997200 209008674 /nfs/dbraw/zinc/00/86/74/209008674.db2.gz CHWJZEUUIJAPAT-ZWKOTPCHSA-N 1 0 354.454 2.015 50 0 FEAARO CCn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000092078677 209016331 /nfs/dbraw/zinc/01/63/31/209016331.db2.gz WRZIWBYCRVETLQ-UHFFFAOYSA-N 1 0 367.457 2.023 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCCN(c2ncccn2)CC1 ZINC000095355594 209023859 /nfs/dbraw/zinc/02/38/59/209023859.db2.gz LEXSUCUGSFYIEU-QGZVFWFLSA-N 1 0 369.469 2.021 50 0 FEAARO COc1c[nH]c(C[NH+]2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)cc1=O ZINC000095358872 209027823 /nfs/dbraw/zinc/02/78/23/209027823.db2.gz GXAOJEUGWMOPSD-QGZVFWFLSA-N 1 0 367.449 2.022 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000095364129 209029909 /nfs/dbraw/zinc/02/99/09/209029909.db2.gz PZHJTTJGJISFHD-HXUWFJFHSA-N 1 0 359.514 2.088 50 0 FEAARO Cc1nccn1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000095389110 209045673 /nfs/dbraw/zinc/04/56/73/209045673.db2.gz LAWYRVIRMYYDID-RBUKOAKNSA-N 1 0 353.470 2.100 50 0 FEAARO CCCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000095390786 209046093 /nfs/dbraw/zinc/04/60/93/209046093.db2.gz QEZLXQPNZFGYNQ-XMTFNYHQSA-N 1 0 350.503 2.382 50 0 FEAARO CN1C[C@]2(CC[N@@H+](C3CCN(c4nc5ccccc5o4)CC3)C2)OC1=O ZINC000095384075 209041550 /nfs/dbraw/zinc/04/15/50/209041550.db2.gz CTZNTJTYBLAAFE-IBGZPJMESA-N 1 0 356.426 2.323 50 0 FEAARO O=C(c1cnc(-c2cccs2)nc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000095383158 209042195 /nfs/dbraw/zinc/04/21/95/209042195.db2.gz YTCBTZDARQTXNV-UHFFFAOYSA-N 1 0 372.494 2.390 50 0 FEAARO [NH3+]CC[C@H]1CN(C(=O)c2ccc3nc(-c4ccc(F)cc4)cn3c2)CCO1 ZINC000095383689 209042901 /nfs/dbraw/zinc/04/29/01/209042901.db2.gz YWFOJAQTBZBVOK-KRWDZBQOSA-N 1 0 368.412 2.330 50 0 FEAARO COc1ccc(CN2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2=O)cc1 ZINC000095391681 209048185 /nfs/dbraw/zinc/04/81/85/209048185.db2.gz NOLXPYXLFHCJSH-SFHVURJKSA-N 1 0 373.497 2.131 50 0 FEAARO COCC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000095958665 209089925 /nfs/dbraw/zinc/08/99/25/209089925.db2.gz AYRNPBWHUFQAAK-SFHVURJKSA-N 1 0 374.481 2.480 50 0 FEAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1cnc(N(C)C)nc1)CC2 ZINC000095499666 209061961 /nfs/dbraw/zinc/06/19/61/209061961.db2.gz KFESRYACYKNGAQ-UHFFFAOYSA-N 1 0 369.517 2.025 50 0 FEAARO COC(=O)C(C)(C)C(C)(C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000079109517 542499629 /nfs/dbraw/zinc/49/96/29/542499629.db2.gz JSXADGJMBRKUJQ-UHFFFAOYSA-N 1 0 372.487 2.132 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3cncn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095511570 209069530 /nfs/dbraw/zinc/06/95/30/209069530.db2.gz AOTMMOCIXJLBMG-MISYRCLQSA-N 1 0 366.465 2.131 50 0 FEAARO Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c1O ZINC000095510661 209069656 /nfs/dbraw/zinc/06/96/56/209069656.db2.gz BACXCGIOSPSVJS-MRXNPFEDSA-N 1 0 356.470 2.479 50 0 FEAARO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(CN2CCCC2=O)CC1 ZINC000082087824 542683089 /nfs/dbraw/zinc/68/30/89/542683089.db2.gz BIOCDCDAWQHOPD-HXUWFJFHSA-N 1 0 369.509 2.294 50 0 FEAARO CN1CC[C@@]2(CN(c3ncccc3C(F)(F)F)CC[N@@H+]2C)CCC1=O ZINC000091807916 132204084 /nfs/dbraw/zinc/20/40/84/132204084.db2.gz QOZZWVCSCBXAFP-MRXNPFEDSA-N 1 0 356.392 2.233 50 0 FEAARO CCc1nc2c(ncnc2N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)o1 ZINC000095509236 132212998 /nfs/dbraw/zinc/21/29/98/132212998.db2.gz NZWXUVISSRAVIH-AWEZNQCLSA-N 1 0 369.473 2.322 50 0 FEAARO CNc1nc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)ncc1F ZINC000095525290 132214739 /nfs/dbraw/zinc/21/47/39/132214739.db2.gz GTVLFBUEOJDPEA-CQSZACIVSA-N 1 0 361.469 2.190 50 0 FEAARO Cc1ccc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)cc3)n(CCO)n2)o1 ZINC000096141617 132220486 /nfs/dbraw/zinc/22/04/86/132220486.db2.gz RRMNMCYFYMRDAH-UHFFFAOYSA-N 1 0 367.453 2.258 50 0 FEAARO OCC[C@@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000106984284 132240662 /nfs/dbraw/zinc/24/06/62/132240662.db2.gz ITJSSSBMMGNHTE-GOSISDBHSA-N 1 0 365.481 2.464 50 0 FEAARO OCC[C@@H]1CN(c2cc(-c3ncon3)ccn2)CC[N@@H+]1Cc1ccccc1 ZINC000106994441 132240840 /nfs/dbraw/zinc/24/08/40/132240840.db2.gz AXDIJDJIIDHQCH-GOSISDBHSA-N 1 0 365.437 2.205 50 0 FEAARO Cc1noc([C@H]2CCCCN2C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000219218840 132273905 /nfs/dbraw/zinc/27/39/05/132273905.db2.gz HKXTVQHBHRKWKY-GOSISDBHSA-N 1 0 369.469 2.497 50 0 FEAARO Cc1ncnc(N2CC[NH+](CCC(=O)NC3CCCCCC3)CC2)c1C ZINC000243902099 132289848 /nfs/dbraw/zinc/28/98/48/132289848.db2.gz BFXZPAJVFYFUGO-UHFFFAOYSA-N 1 0 359.518 2.445 50 0 FEAARO Cc1cccc(N2CCC([NH2+][C@H]3C[C@@H](c4nnc(CO)n4C)C3)CC2)c1 ZINC000252537547 132293313 /nfs/dbraw/zinc/29/33/13/132293313.db2.gz LNWKUABBKPYFQG-WOVMCDHWSA-N 1 0 355.486 2.120 50 0 FEAARO c1ccc2oc(N3CCN(c4cc([C@H]5CCC[NH2+]C5)ncn4)CC3)nc2c1 ZINC000039538036 132300963 /nfs/dbraw/zinc/30/09/63/132300963.db2.gz KMVQZYJVAGGLFC-HNNXBMFYSA-N 1 0 364.453 2.411 50 0 FEAARO Cc1ccc2c(c1)N(CCC(=O)NCCC[NH+]1CCCCC1)C(=O)[C@@H](C)O2 ZINC000003907313 132385919 /nfs/dbraw/zinc/38/59/19/132385919.db2.gz WFEUIRWSAPHSNR-QGZVFWFLSA-N 1 0 373.497 2.491 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3snnc3C(C)C)C2)C1=O ZINC000091434018 542807097 /nfs/dbraw/zinc/80/70/97/542807097.db2.gz XMLOEXINMHZFMI-QGZVFWFLSA-N 1 0 352.504 2.122 50 0 FEAARO O=c1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)[nH]c2ccccc12 ZINC000091255017 542803159 /nfs/dbraw/zinc/80/31/59/542803159.db2.gz WNNFLODQCZWQHH-NVXWUHKLSA-N 1 0 361.449 2.419 50 0 FEAARO COc1ccc(C)cc1NC(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000091493040 542810771 /nfs/dbraw/zinc/81/07/71/542810771.db2.gz HCKYHVVUUSWECH-HXUWFJFHSA-N 1 0 374.485 2.164 50 0 FEAARO CN(C)c1ccc(CCC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091575218 542813128 /nfs/dbraw/zinc/81/31/28/542813128.db2.gz WTJIJWCESRDKKM-WOJBJXKFSA-N 1 0 373.541 2.238 50 0 FEAARO COc1ccc(/C=C/CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091586654 542814381 /nfs/dbraw/zinc/81/43/81/542814381.db2.gz YIAAMDRKWVGZSK-KTBYTZPXSA-N 1 0 357.498 2.337 50 0 FEAARO COc1cc2c(cc1C(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1)CCC2 ZINC000091596051 542815169 /nfs/dbraw/zinc/81/51/69/542815169.db2.gz KILRQVZQVAYJTD-MJGOQNOKSA-N 1 0 360.498 2.349 50 0 FEAARO Cc1oncc1S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091769470 542824519 /nfs/dbraw/zinc/82/45/19/542824519.db2.gz WENGUIBRWQJOLS-DLBZAZTESA-N 1 0 361.467 2.268 50 0 FEAARO O=C(CCc1nc2ccccc2[nH]1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091848913 542828628 /nfs/dbraw/zinc/82/86/28/542828628.db2.gz QXSMXDDQPVNQCS-IAGOWNOFSA-N 1 0 370.497 2.048 50 0 FEAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)[C@H](C)n3ccnc3)CC2)c1 ZINC000052899846 136124565 /nfs/dbraw/zinc/12/45/65/136124565.db2.gz DRRLXINHDYGMJG-OALUTQOASA-N 1 0 369.513 2.470 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)NCCc2cccc(F)c2)CC1 ZINC000058368910 136131770 /nfs/dbraw/zinc/13/17/70/136131770.db2.gz IIIXQSTWQBJMLZ-UHFFFAOYSA-N 1 0 371.460 2.014 50 0 FEAARO Cc1ccnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)C2)n1 ZINC000065001183 136134399 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COc1ccc(C(=O)N[C@@H]2CCOC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095524733 209075978 /nfs/dbraw/zinc/07/59/78/209075978.db2.gz ULIFAHGJMGTKMR-MRXNPFEDSA-N 1 0 362.470 2.466 50 0 FEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000125749841 543899596 /nfs/dbraw/zinc/89/95/96/543899596.db2.gz RVMNVWCPMHVCMV-NSHDSACASA-N 1 0 355.360 2.266 50 0 FEAARO C[NH+](C)C[C@H]1COCCN(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000426405088 263578821 /nfs/dbraw/zinc/57/88/21/263578821.db2.gz FNZYGSMHBDXPQY-MRXNPFEDSA-N 1 0 361.486 2.120 50 0 FEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1c[nH]nc1-c1ccccc1 ZINC000426408920 263580150 /nfs/dbraw/zinc/58/01/50/263580150.db2.gz JOQXSQCZFNYMPW-INIZCTEOSA-N 1 0 364.453 2.057 50 0 FEAARO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000190833025 328235037 /nfs/dbraw/zinc/23/50/37/328235037.db2.gz DFAPAGRZSZFKGY-MRXNPFEDSA-N 1 0 365.499 2.040 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237236449 328509473 /nfs/dbraw/zinc/50/94/73/328509473.db2.gz ZNGVVYXIMCBYNH-BNOWGMLFSA-N 1 0 360.376 2.031 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3ccnc3)cc2C1 ZINC000082096738 519722935 /nfs/dbraw/zinc/72/29/35/519722935.db2.gz LJFOWSGSGXINLP-MRXNPFEDSA-N 1 0 358.490 2.209 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Cc3ccc(O)cc3)cc2C1 ZINC000082120350 519723326 /nfs/dbraw/zinc/72/33/26/519723326.db2.gz BMVCGMZLVHJKGQ-UHFFFAOYSA-N 1 0 356.470 2.309 50 0 FEAARO CCC[NH+]1CCC(N2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)CC1 ZINC000020536373 519844426 /nfs/dbraw/zinc/84/44/26/519844426.db2.gz AFYSFDQFHZXMRE-NRFANRHFSA-N 1 0 360.546 2.133 50 0 FEAARO CCC[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)C[C@H]1[NH+](C)C ZINC000082116119 520830651 /nfs/dbraw/zinc/83/06/51/520830651.db2.gz WTDBHRQVJNAJBF-RTBURBONSA-N 1 0 372.513 2.123 50 0 FEAARO CCc1ccccc1C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccn(C)n3)C[C@H]21 ZINC000082107126 521828385 /nfs/dbraw/zinc/82/83/85/521828385.db2.gz KXLXESAUMOZEKK-RBUKOAKNSA-N 1 0 367.497 2.127 50 0 FEAARO CN(C(=O)c1nn(-c2ccc(F)cc2)cc1Br)[C@H]1CC[NH2+]C1 ZINC000179104645 523965233 /nfs/dbraw/zinc/96/52/33/523965233.db2.gz ABKNLQJKKWMCQE-LBPRGKRZSA-N 1 0 367.222 2.208 50 0 FEAARO NC(=O)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000091656104 526858205 /nfs/dbraw/zinc/85/82/05/526858205.db2.gz FCRIFASFZDKZKJ-IBGZPJMESA-N 1 0 357.498 2.274 50 0 FEAARO O=C1[C@H]2CCCCN2C(=O)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000000641755 527116809 /nfs/dbraw/zinc/11/68/09/527116809.db2.gz NWIZLXLNFVCYGO-GOSISDBHSA-N 1 0 374.460 2.155 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000178526215 527238283 /nfs/dbraw/zinc/23/82/83/527238283.db2.gz QITKEUUSNPQNEI-CYBMUJFWSA-N 1 0 370.902 2.234 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C1 ZINC000157769096 527400332 /nfs/dbraw/zinc/40/03/32/527400332.db2.gz SJZPRAHQWTZHBP-INIZCTEOSA-N 1 0 358.463 2.224 50 0 FEAARO FC(F)(F)C(F)(F)c1nnc2c3ccccc3c(N3CC[NH2+]CC3)nn21 ZINC000000719247 527662499 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O=C(Cc1ccc(O)c(Cl)c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000220078711 548699289 /nfs/dbraw/zinc/69/92/89/548699289.db2.gz KCNOIFCLTRMBHT-UHFFFAOYSA-N 1 0 352.862 2.348 50 0 FEAARO COc1ccc(C)cc1N1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1=O ZINC000229819379 548757061 /nfs/dbraw/zinc/75/70/61/548757061.db2.gz XBFAKQQJPJMLER-GVDBMIGSSA-N 1 0 373.497 2.298 50 0 FEAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(NC)ccc2Cl)CC1 ZINC000240333509 548883745 /nfs/dbraw/zinc/88/37/45/548883745.db2.gz FDUPPKXTOGFCBF-AWEZNQCLSA-N 1 0 352.910 2.385 50 0 FEAARO O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000247762136 549377921 /nfs/dbraw/zinc/37/79/21/549377921.db2.gz IBWHHZNUAPBVIN-IRXDYDNUSA-N 1 0 369.303 2.279 50 0 FEAARO Cc1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc2sc(N)nc21 ZINC000252479830 549666451 /nfs/dbraw/zinc/66/64/51/549666451.db2.gz BNLLXRMLYOOKFE-KBPBESRZSA-N 1 0 360.483 2.170 50 0 FEAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)C1 ZINC000252512077 549672228 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Cc1noc(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4F)C3)C2=O)n1 ZINC000257190351 549714854 /nfs/dbraw/zinc/71/48/54/549714854.db2.gz OOZGYGVWZPPSRZ-OAHLLOKOSA-N 1 0 359.405 2.029 50 0 FEAARO Cc1noc([C@@]23CN(C(=O)C(C)C)C[C@@H]2CC[N@H+](Cc2cccnc2)C3)n1 ZINC000257188776 549714871 /nfs/dbraw/zinc/71/48/71/549714871.db2.gz NCNOACLTSYAJGQ-PXNSSMCTSA-N 1 0 369.469 2.031 50 0 FEAARO CC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)NCC1CC1)[C@H]23 ZINC000257196445 549716670 /nfs/dbraw/zinc/71/66/70/549716670.db2.gz YFUKHEWHCJPDBZ-PXCRPINLSA-N 1 0 361.530 2.404 50 0 FEAARO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000284963776 551678326 /nfs/dbraw/zinc/67/83/26/551678326.db2.gz KINBRAVZVDASAQ-JFIYKMOQSA-N 1 0 372.469 2.434 50 0 FEAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1C[C@@H]1COc2ccccc2O1 ZINC000299756911 553611261 /nfs/dbraw/zinc/61/12/61/553611261.db2.gz KBALBNKOLYIZFF-QZTJIDSGSA-N 1 0 367.449 2.392 50 0 FEAARO CC(C)(C)c1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)[nH]c(=O)n1 ZINC000299765198 553611840 /nfs/dbraw/zinc/61/18/40/553611840.db2.gz KDMVDOOCUFGAAV-UHFFFAOYSA-N 1 0 354.454 2.268 50 0 FEAARO CNC(=O)c1ccc(NC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000299771249 553612557 /nfs/dbraw/zinc/61/25/57/553612557.db2.gz UUPFUWADBPEDJV-QGZVFWFLSA-N 1 0 374.485 2.073 50 0 FEAARO Cc1cc(C)n(CCC[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)n1 ZINC000299768375 553612730 /nfs/dbraw/zinc/61/27/30/553612730.db2.gz UOAVANAQZWGXPM-UHFFFAOYSA-N 1 0 366.473 2.004 50 0 FEAARO COc1ccc(C2(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)CCCC2)cc1 ZINC000299788012 553614542 /nfs/dbraw/zinc/61/45/42/553614542.db2.gz QTZJHQBAUUMQOD-OALUTQOASA-N 1 0 358.482 2.486 50 0 FEAARO Cc1c(NC(=O)NC[C@@]2(O)CCC[NH2+]C2)cccc1NC(=O)C1CCCC1 ZINC000299786962 553614622 /nfs/dbraw/zinc/61/46/22/553614622.db2.gz YHWUJPNKRMSNKM-HXUWFJFHSA-N 1 0 374.485 2.360 50 0 FEAARO CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299793174 553615082 /nfs/dbraw/zinc/61/50/82/553615082.db2.gz GSBLNTQPBLITKK-QGZVFWFLSA-N 1 0 373.428 2.301 50 0 FEAARO Cc1cc(C)n(CCC[N@@H+]2CCn3nc(CNc4cnccn4)cc3C2)n1 ZINC000299803172 553617246 /nfs/dbraw/zinc/61/72/46/553617246.db2.gz ZDRPPVIAORZJJE-UHFFFAOYSA-N 1 0 366.473 2.004 50 0 FEAARO COc1cccc(-n2cc(CNC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)cn2)c1 ZINC000426489419 559735686 /nfs/dbraw/zinc/73/56/86/559735686.db2.gz VJNJBJVWVVNKJJ-FQEVSTJZSA-N 1 0 369.469 2.166 50 0 FEAARO Cc1nc2ccc(C)cn2c1C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000426495868 559735885 /nfs/dbraw/zinc/73/58/85/559735885.db2.gz UWMBBKJVAYGWCD-UHFFFAOYSA-N 1 0 356.470 2.324 50 0 FEAARO Cc1cnccc1-c1ccc(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000426517996 559736507 /nfs/dbraw/zinc/73/65/07/559736507.db2.gz WFYAERBXVKWQDJ-KRWDZBQOSA-N 1 0 353.466 2.491 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CC[C@H](Oc4ccccc4)C3)nn2)CC1 ZINC000426545047 559737445 /nfs/dbraw/zinc/73/74/45/559737445.db2.gz KXXXTPIUFRJGDP-UXLLHSPISA-N 1 0 355.442 2.014 50 0 FEAARO CN(Cc1nccn1Cc1ccccc1)C(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000426551813 559737532 /nfs/dbraw/zinc/73/75/32/559737532.db2.gz NQFILUFSAPZXLG-FQEVSTJZSA-N 1 0 355.486 2.415 50 0 FEAARO COc1cccnc1-c1cccc(C(=O)NC[C@@H]2COCC[N@H+](C)C2)c1 ZINC000426667658 559739865 /nfs/dbraw/zinc/73/98/65/559739865.db2.gz UUJDBDUJKUWLSS-HNNXBMFYSA-N 1 0 355.438 2.065 50 0 FEAARO Cc1cc2nc(CN(C)C(=O)NCCC[N@@H+]3CCC[C@H](O)C3)[nH]c2cc1C ZINC000426734046 559741181 /nfs/dbraw/zinc/74/11/81/559741181.db2.gz POYGSMCAVSBUMO-INIZCTEOSA-N 1 0 373.501 2.168 50 0 FEAARO Cc1cc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)nc(C)c1C ZINC000534577408 562537194 /nfs/dbraw/zinc/53/71/94/562537194.db2.gz SNLHFOJUFZFADK-PMACEKPBSA-N 1 0 353.466 2.421 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccc(C)o3)[C@H]1C[C@H](NC(=O)c1cnccn1)CC2 ZINC000534583238 562537395 /nfs/dbraw/zinc/53/73/95/562537395.db2.gz IKIQQCBLSDYXBA-MOXGXCLJSA-N 1 0 370.453 2.320 50 0 FEAARO CCc1cccc(OC2CN(C(=O)NC[C@H](CC)N3CC[NH+](C)CC3)C2)c1 ZINC000534630876 562538606 /nfs/dbraw/zinc/53/86/06/562538606.db2.gz YRPMQBQSKQOFMA-SFHVURJKSA-N 1 0 374.529 2.048 50 0 FEAARO O=c1cc(C[NH+]2CCCC2)nc2[nH]c(NCc3ccccc3Cl)nn21 ZINC000101796162 570823755 /nfs/dbraw/zinc/82/37/55/570823755.db2.gz DGFGFWNDYRARQP-UHFFFAOYSA-N 1 0 358.833 2.279 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(F)cc2)C3)CC1 ZINC000021039350 571144256 /nfs/dbraw/zinc/14/42/56/571144256.db2.gz SVDNTOMNKXUPRE-UHFFFAOYSA-N 1 0 355.461 2.316 50 0 FEAARO O=C(NCC1CC[NH+]([C@H]2CCOC2)CC1)C1(c2ccccc2)CCOCC1 ZINC000575605303 571163465 /nfs/dbraw/zinc/16/34/65/571163465.db2.gz CXVUZDDMXCDYDH-FQEVSTJZSA-N 1 0 372.509 2.352 50 0 FEAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]Cc3ccc(S(N)(=O)=O)cc3)[nH]c12 ZINC000092097531 571197971 /nfs/dbraw/zinc/19/79/71/571197971.db2.gz JSPNDKIWFYITAW-UHFFFAOYSA-N 1 0 371.462 2.082 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c(OC)c1OC ZINC000426410707 571221676 /nfs/dbraw/zinc/22/16/76/571221676.db2.gz NRGNLPSVTWMYIU-SIXWZSSISA-N 1 0 351.443 2.217 50 0 FEAARO COCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000426412521 571221857 /nfs/dbraw/zinc/22/18/57/571221857.db2.gz XGHHYOBQTSJLCO-IBGZPJMESA-N 1 0 350.434 2.295 50 0 FEAARO Cc1cc(CNC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cnc1C ZINC000584885541 571313739 /nfs/dbraw/zinc/31/37/39/571313739.db2.gz MTJBAYVLZWAQBZ-IBGZPJMESA-N 1 0 360.502 2.485 50 0 FEAARO CCn1ncnc1[C@@H](C)NC(=O)c1ccc(-c2[nH+]ccc(N)c2OC)cc1 ZINC000584889135 571314241 /nfs/dbraw/zinc/31/42/41/571314241.db2.gz TVTSWEQPSHDSLE-GFCCVEGCSA-N 1 0 366.425 2.442 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(F)cn3)n2)C1 ZINC000585101672 571320563 /nfs/dbraw/zinc/32/05/63/571320563.db2.gz MLQBGUBCLVPXON-CYBMUJFWSA-N 1 0 360.437 2.648 50 0 FEAARO CS(=O)(=O)CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670459174 571356195 /nfs/dbraw/zinc/35/61/95/571356195.db2.gz YUAHCAAASUTHCJ-QGZVFWFLSA-N 1 0 352.500 2.155 50 0 FEAARO COc1ccc2c(c1)nc(C)cc2C(=O)NCCC[N@@H+]1CCC[C@H](O)C1 ZINC000670467518 571358956 /nfs/dbraw/zinc/35/89/56/571358956.db2.gz ADINQEPKTGYSNB-HNNXBMFYSA-N 1 0 357.454 2.128 50 0 FEAARO COc1ccc(F)c(C[NH+]2CCC3(CC[C@H](CNC(C)=O)O3)CC2)c1 ZINC000014882834 670009710 /nfs/dbraw/zinc/00/97/10/670009710.db2.gz HOSLPFFAAGFYGR-QGZVFWFLSA-N 1 0 350.434 2.484 50 0 FEAARO COCc1ccc(C(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)s1 ZINC000015067899 670010193 /nfs/dbraw/zinc/01/01/93/670010193.db2.gz WHTMDGLJYFGJBG-CQSZACIVSA-N 1 0 351.516 2.183 50 0 FEAARO O=C(c1cc2nccc(-c3ccc(F)cc3)n2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002791000 539353884 /nfs/dbraw/zinc/35/38/84/539353884.db2.gz WYLJAASOSNQFBG-INIZCTEOSA-N 1 0 365.412 2.456 50 0 FEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2=O)cc1OC ZINC000002873790 539355908 /nfs/dbraw/zinc/35/59/08/539355908.db2.gz KMXOZOATZUOPPQ-MRXNPFEDSA-N 1 0 360.454 2.296 50 0 FEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(Br)c2)n1 ZINC000003605730 539372259 /nfs/dbraw/zinc/37/22/59/539372259.db2.gz SIRQKVBFRMNNLV-UHFFFAOYSA-N 1 0 354.233 2.134 50 0 FEAARO CN(C(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000004374265 539383489 /nfs/dbraw/zinc/38/34/89/539383489.db2.gz XZYAOJOHSAEQAO-CQSZACIVSA-N 1 0 364.877 2.181 50 0 FEAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000004385381 539383653 /nfs/dbraw/zinc/38/36/53/539383653.db2.gz XGAFABHIUJZKKQ-UHFFFAOYSA-N 1 0 353.422 2.462 50 0 FEAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccon1 ZINC000008893116 539493903 /nfs/dbraw/zinc/49/39/03/539493903.db2.gz WYGQQMSKLPPTCI-AWEZNQCLSA-N 1 0 362.455 2.408 50 0 FEAARO COCC1CC[NH+](C[C@]2(O)CCCN(Cc3cccc(C)c3)C2=O)CC1 ZINC000012758190 539572686 /nfs/dbraw/zinc/57/26/86/539572686.db2.gz VKKDWSGZRFGSOY-OAQYLSRUSA-N 1 0 360.498 2.207 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccs1 ZINC000012846492 539577032 /nfs/dbraw/zinc/57/70/32/539577032.db2.gz MDHGAXFTYULUEH-HNNXBMFYSA-N 1 0 370.478 2.336 50 0 FEAARO COc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc1 ZINC000014543248 539603987 /nfs/dbraw/zinc/60/39/87/539603987.db2.gz HTOVOZQVAPKYMF-INIZCTEOSA-N 1 0 368.481 2.312 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)Cn3cncn3)C2)cc1 ZINC000015070332 539611026 /nfs/dbraw/zinc/61/10/26/539611026.db2.gz HRVVFQVXEUFBPL-IBGZPJMESA-N 1 0 355.486 2.257 50 0 FEAARO COc1ccc(-c2cc3nc(C)cc(N4CC[NH+](C)CC4)n3n2)cc1OC ZINC000015670882 539620938 /nfs/dbraw/zinc/62/09/38/539620938.db2.gz GMHHJMUWWSXHOY-UHFFFAOYSA-N 1 0 367.453 2.474 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016021920 539626026 /nfs/dbraw/zinc/62/60/26/539626026.db2.gz IXTCTVMNUPUTKN-MFCZKXCZSA-N 1 0 373.428 2.002 50 0 FEAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016024595 539626942 /nfs/dbraw/zinc/62/69/42/539626942.db2.gz IFSJXCYDBHORNJ-CJXDPKRBSA-N 1 0 373.428 2.001 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016025031 539627005 /nfs/dbraw/zinc/62/70/05/539627005.db2.gz GFOJAQICYFSWDZ-NXVBXIDHSA-N 1 0 369.465 2.252 50 0 FEAARO C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)N1C(=O)c2ccccc2C1=O ZINC000017247395 539640765 /nfs/dbraw/zinc/64/07/65/539640765.db2.gz UQAHVJZYAYUPJN-HNNXBMFYSA-N 1 0 369.465 2.148 50 0 FEAARO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1cccc(F)c1F)CC2 ZINC000019292761 539654565 /nfs/dbraw/zinc/65/45/65/539654565.db2.gz UMLJWHNXFDNAQR-UHFFFAOYSA-N 1 0 369.375 2.106 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21 ZINC000021938270 539689886 /nfs/dbraw/zinc/68/98/86/539689886.db2.gz MLVOXQKCRZBKRS-GOSISDBHSA-N 1 0 356.470 2.213 50 0 FEAARO O[C@@H](COCc1ccc(Cl)cc1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022038575 539691197 /nfs/dbraw/zinc/69/11/97/539691197.db2.gz SVHIHORYHJCBMG-MOPGFXCFSA-N 1 0 368.905 2.014 50 0 FEAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@@H](O)CN3CC[NH+](C)CC3)ccc21 ZINC000022918338 539702779 /nfs/dbraw/zinc/70/27/79/539702779.db2.gz ZVGUUEHOWDSMDE-KRWDZBQOSA-N 1 0 373.497 2.159 50 0 FEAARO C[NH+]1CCN([C@@H](CNC(=O)COc2ccccc2)c2ccsc2)CC1 ZINC000022765424 539698591 /nfs/dbraw/zinc/69/85/91/539698591.db2.gz UVVLQDDYZMOOJO-SFHVURJKSA-N 1 0 359.495 2.232 50 0 FEAARO COCC[NH+]1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000023127564 539706911 /nfs/dbraw/zinc/70/69/11/539706911.db2.gz JYVGVPXRSLSXKM-UHFFFAOYSA-N 1 0 364.870 2.116 50 0 FEAARO CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCO[C@@H](CC[NH3+])C3)cc2)n1 ZINC000023159066 539708233 /nfs/dbraw/zinc/70/82/33/539708233.db2.gz JMESWPVNIHBDIU-IBGZPJMESA-N 1 0 370.497 2.329 50 0 FEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3F)CC2)[nH+]1 ZINC000024023188 539723650 /nfs/dbraw/zinc/72/36/50/539723650.db2.gz DWFFBKRWMBRLSB-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO Cc1cc(C)nc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N3CCCC3)n2)n1 ZINC000244691909 209903444 /nfs/dbraw/zinc/90/34/44/209903444.db2.gz JLBBGNZLGHTISY-GASCZTMLSA-N 1 0 353.474 2.300 50 0 FEAARO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)c2cc(OC)ccc2OC)cc1 ZINC000058326921 209862870 /nfs/dbraw/zinc/86/28/70/209862870.db2.gz IFZDTGMEBLLXGN-GOSISDBHSA-N 1 0 373.453 2.102 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)c1nc2nccc(C)n2n1)c1ccccc1 ZINC000027087532 539800799 /nfs/dbraw/zinc/80/07/99/539800799.db2.gz FCOATCGGUPCLBR-INIZCTEOSA-N 1 0 352.442 2.246 50 0 FEAARO O=c1nc(C2CC[NH+](Cc3ccc(OCc4cccnc4)cc3)CC2)[nH][nH]1 ZINC000225518748 209817050 /nfs/dbraw/zinc/81/70/50/209817050.db2.gz PSJZYCRWFWXVLU-UHFFFAOYSA-N 1 0 365.437 2.452 50 0 FEAARO Cc1cc(C)n2ncc(C[NH+]3CCC([C@@H](O)c4nccn4C)CC3)c2n1 ZINC000215996005 209646719 /nfs/dbraw/zinc/64/67/19/209646719.db2.gz GXXNFSVXAWOKEG-QGZVFWFLSA-N 1 0 354.458 2.025 50 0 FEAARO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000048332886 540357917 /nfs/dbraw/zinc/35/79/17/540357917.db2.gz UMIWLDKSHOALRQ-RTBURBONSA-N 1 0 358.482 2.495 50 0 FEAARO O=C(CN1CC[NH2+]CC1)N[C@H]1Cc2ccccc2Sc2ccccc21 ZINC000048533869 540365674 /nfs/dbraw/zinc/36/56/74/540365674.db2.gz SDDJYXCGFAOJSX-KRWDZBQOSA-N 1 0 353.491 2.456 50 0 FEAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@H](O)C2)c(NC(=O)C(C)(C)C)s1 ZINC000055341148 540647969 /nfs/dbraw/zinc/64/79/69/540647969.db2.gz YCPAJYMAAPCNPW-ZDUSSCGKSA-N 1 0 367.515 2.228 50 0 FEAARO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000237980110 209358783 /nfs/dbraw/zinc/35/87/83/209358783.db2.gz LDDGDEOBACTZQP-VIFPVBQESA-N 1 0 353.669 2.214 50 0 FEAARO O=C(NCc1ccccc1COc1ccccc1Cl)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000238012452 209357525 /nfs/dbraw/zinc/35/75/25/209357525.db2.gz MXMDZZSAFXBUIE-WBVHZDCISA-N 1 0 360.841 2.258 50 0 FEAARO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1NS(C)(=O)=O ZINC000058248994 540835724 /nfs/dbraw/zinc/83/57/24/540835724.db2.gz VTAJCQMMAZYDED-OAHLLOKOSA-N 1 0 367.515 2.217 50 0 FEAARO C[C@H]1CCCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)[C@H]1C[NH3+] ZINC000237664945 209351555 /nfs/dbraw/zinc/35/15/55/209351555.db2.gz LCWZQKHRUZWPBR-WFASDCNBSA-N 1 0 364.467 2.177 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC000237571967 209350130 /nfs/dbraw/zinc/35/01/30/209350130.db2.gz IOHIAPROXXXMJA-HLIPFELVSA-N 1 0 371.525 2.302 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000237330592 209345543 /nfs/dbraw/zinc/34/55/43/209345543.db2.gz YFAFVDPKWHXIMY-MNOVXSKESA-N 1 0 352.378 2.333 50 0 FEAARO CN(Cc1ccc(F)cc1Cl)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237099716 209334482 /nfs/dbraw/zinc/33/44/82/209334482.db2.gz LHWSAXYPZHWHEP-UHFFFAOYSA-N 1 0 351.813 2.267 50 0 FEAARO COCCN1CC[C@@]2(CN(Cc3ccc(C)s3)CC[N@@H+]2C)CCC1=O ZINC000107402259 209276316 /nfs/dbraw/zinc/27/63/16/209276316.db2.gz RPYZKVYTSNDLIA-LJQANCHMSA-N 1 0 365.543 2.202 50 0 FEAARO COc1c(F)cc(CN2CC[N@H+](C)[C@@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000107405091 209275123 /nfs/dbraw/zinc/27/51/23/209275123.db2.gz QATLFXUHVRDHIY-GOSISDBHSA-N 1 0 369.868 2.274 50 0 FEAARO Cc1nccc(-c2cccc(N3CCC([NH2+][C@@H]4CC(=O)N(C)C4)CC3)c2)n1 ZINC000063870015 541190204 /nfs/dbraw/zinc/19/02/04/541190204.db2.gz KOUSDGGWKVNNPX-GOSISDBHSA-N 1 0 365.481 2.241 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1cnn2c1ncc1c2CC(C)(C)CC1=O ZINC000064987400 541222599 /nfs/dbraw/zinc/22/25/99/541222599.db2.gz UMFLNFASOOHKHE-UHFFFAOYSA-N 1 0 371.485 2.346 50 0 FEAARO CN1CC[NH+](CCCCNC(=O)c2cccc(Br)c2)CC1 ZINC000041362484 209238353 /nfs/dbraw/zinc/23/83/53/209238353.db2.gz OXWBRMFQUNMXEQ-UHFFFAOYSA-N 1 0 354.292 2.207 50 0 FEAARO C[NH+]1CCC(Cc2nc(CCS(C)(=O)=O)n(C3CCCCC3)n2)CC1 ZINC000102547272 209237443 /nfs/dbraw/zinc/23/74/43/209237443.db2.gz AIJBBIZPLLBBNH-UHFFFAOYSA-N 1 0 368.547 2.255 50 0 FEAARO CCNc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(C)[nH+]1 ZINC000067613809 541490179 /nfs/dbraw/zinc/49/01/79/541490179.db2.gz ZMSOOLZUVVXMCV-UHFFFAOYSA-N 1 0 353.470 2.498 50 0 FEAARO COc1ccc(CCCNC(=O)c2ccc(N3CC[C@H](C[NH3+])C3)nc2)cc1 ZINC000067678810 541497873 /nfs/dbraw/zinc/49/78/73/541497873.db2.gz NWFGYMZJFIPLIN-QGZVFWFLSA-N 1 0 368.481 2.238 50 0 FEAARO C[C@H](CNC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1)[NH+]1CCCC1 ZINC000067689125 541499816 /nfs/dbraw/zinc/49/98/16/541499816.db2.gz RIGMOSIKVYSVTO-CQSZACIVSA-N 1 0 352.442 2.022 50 0 FEAARO Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C2CC[NH2+]CC2)CCO3)n1 ZINC000067723176 541505085 /nfs/dbraw/zinc/50/50/85/541505085.db2.gz GHTQLFNVHBWCSO-UHFFFAOYSA-N 1 0 354.454 2.412 50 0 FEAARO CC(C)(O)C1CC[NH+](C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067726022 541505849 /nfs/dbraw/zinc/50/58/49/541505849.db2.gz QNJTYBIHJAWOIZ-QFIPXVFZSA-N 1 0 374.525 2.066 50 0 FEAARO C[C@H]([NH3+])C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000067805036 541515371 /nfs/dbraw/zinc/51/53/71/541515371.db2.gz PNGLJVNSHUVFRG-LBPRGKRZSA-N 1 0 374.420 2.177 50 0 FEAARO Cc1nc(C[NH+]2CCC3(CCN(C(=O)C4CCCC4)C[C@H]3CO)CC2)c[nH]1 ZINC000097766380 209197141 /nfs/dbraw/zinc/19/71/41/209197141.db2.gz YAFIRUBVIRZYIC-SFHVURJKSA-N 1 0 374.529 2.331 50 0 FEAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000097657137 209191876 /nfs/dbraw/zinc/19/18/76/209191876.db2.gz WXQCWUSEZCGQGG-AWEZNQCLSA-N 1 0 370.432 2.012 50 0 FEAARO O=C(CCc1[nH]nc2c1CCCC2)N1CC[NH+](C2CCSCC2)CC1 ZINC000097601030 209188757 /nfs/dbraw/zinc/18/87/57/209188757.db2.gz WFKJVPUDWAJPMI-UHFFFAOYSA-N 1 0 362.543 2.261 50 0 FEAARO COc1ccccc1-c1ncc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)cn1 ZINC000097546671 209185550 /nfs/dbraw/zinc/18/55/50/209185550.db2.gz AQYOQJQBZANEFC-MRXNPFEDSA-N 1 0 355.438 2.268 50 0 FEAARO CC(C)(C)OC(=O)NCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000068975695 541646084 /nfs/dbraw/zinc/64/60/84/541646084.db2.gz DCQONNARPNQINN-AWEZNQCLSA-N 1 0 366.462 2.240 50 0 FEAARO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000071310268 541766623 /nfs/dbraw/zinc/76/66/23/541766623.db2.gz KBGRRTFMJNPTIJ-VIFPVBQESA-N 1 0 353.669 2.085 50 0 FEAARO CC(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071498343 541767540 /nfs/dbraw/zinc/76/75/40/541767540.db2.gz HOZYQYNYUXEXMD-SFHVURJKSA-N 1 0 372.513 2.057 50 0 FEAARO CN1c2ccccc2[C@@](CC(=O)NCC[NH+](C)C)(Cc2ccccc2)C1=O ZINC000071748164 541769199 /nfs/dbraw/zinc/76/91/99/541769199.db2.gz DQNWREZTVAWEJO-QFIPXVFZSA-N 1 0 365.477 2.211 50 0 FEAARO CCn1cc(S(=O)(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071759747 541771392 /nfs/dbraw/zinc/77/13/92/541771392.db2.gz GSJMGLLNUVJFCW-KRWDZBQOSA-N 1 0 354.520 2.034 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)nc2)CCC[N@@H+]1CC1CC1 ZINC000072147192 541787906 /nfs/dbraw/zinc/78/79/06/541787906.db2.gz NQXJNKCPDOPVAF-SFHVURJKSA-N 1 0 368.485 2.245 50 0 FEAARO O=C(c1n[nH]c2c1CCC2)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072149217 541788886 /nfs/dbraw/zinc/78/88/86/541788886.db2.gz ILCCONLWPZPOIX-KRWDZBQOSA-N 1 0 350.466 2.214 50 0 FEAARO c1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH]1 ZINC000072172775 541795588 /nfs/dbraw/zinc/79/55/88/541795588.db2.gz COOCAIVIJSLMOH-PWIZWCRZSA-N 1 0 352.438 2.201 50 0 FEAARO C[C@H]1CCCC[N@@H+]1C1CN(c2nc(-c3cccnc3)nc3c2cnn3C)C1 ZINC000072173849 541795931 /nfs/dbraw/zinc/79/59/31/541795931.db2.gz QBINABLRXXGRGF-AWEZNQCLSA-N 1 0 363.469 2.488 50 0 FEAARO COC(=O)NCC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072407284 541805682 /nfs/dbraw/zinc/80/56/82/541805682.db2.gz DOUIFQGAHPSSJG-HXUWFJFHSA-N 1 0 359.470 2.247 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c(F)c1 ZINC000072408506 541806720 /nfs/dbraw/zinc/80/67/20/541806720.db2.gz CGLJEOAXDOSCHN-HNNXBMFYSA-N 1 0 361.465 2.404 50 0 FEAARO c1cn(-c2ccc(OC[C@@H]3CCCO3)cc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072412364 541808001 /nfs/dbraw/zinc/80/80/01/541808001.db2.gz WLIJUZFKQCDZRY-SFHVURJKSA-N 1 0 365.437 2.397 50 0 FEAARO O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H]1CC[C@H]1[NH2+]C1CCCCCC1 ZINC000072421919 541808919 /nfs/dbraw/zinc/80/89/19/541808919.db2.gz CORQKYKQXOXHIO-MOPGFXCFSA-N 1 0 368.485 2.164 50 0 FEAARO COc1ccc([C@H]([NH3+])CC(=O)N2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000072426753 541810832 /nfs/dbraw/zinc/81/08/32/541810832.db2.gz FOIFLICIKDJNPU-OAHLLOKOSA-N 1 0 358.442 2.223 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3ccc4occc4c3)CC[C@H]21 ZINC000072425106 541811337 /nfs/dbraw/zinc/81/13/37/541811337.db2.gz ZXCCDHJKCHUCLP-DLBZAZTESA-N 1 0 355.438 2.105 50 0 FEAARO Cc1nc2cc(Cn3ccnc3-c3cc4n(n3)CCC[NH2+]C4)ccc2n1C ZINC000072469413 541818395 /nfs/dbraw/zinc/81/83/95/541818395.db2.gz ZTAFVHOOGKAEAT-UHFFFAOYSA-N 1 0 361.453 2.483 50 0 FEAARO Cc1ccoc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CC[NH2+]CC2)C1 ZINC000072476163 541819188 /nfs/dbraw/zinc/81/91/88/541819188.db2.gz HQTKLMXPSOPVST-DLBZAZTESA-N 1 0 359.470 2.041 50 0 FEAARO O=C(c1ccc[nH]c1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072453435 541815984 /nfs/dbraw/zinc/81/59/84/541815984.db2.gz YOBACPJAFJXSIM-IPMKNSEASA-N 1 0 367.424 2.216 50 0 FEAARO CCC1(CC)CCN(c2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)C1 ZINC000072454158 541816115 /nfs/dbraw/zinc/81/61/15/541816115.db2.gz FSVLDKJWFQDHNJ-AWEZNQCLSA-N 1 0 366.531 2.364 50 0 FEAARO CNc1cc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)ccn1 ZINC000072476884 541819404 /nfs/dbraw/zinc/81/94/04/541819404.db2.gz VHLORNYVUTUDIW-UHFFFAOYSA-N 1 0 350.466 2.439 50 0 FEAARO Cc1cc(C)n(CCCC(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)n1 ZINC000072476948 541819595 /nfs/dbraw/zinc/81/95/95/541819595.db2.gz BYESFCLAFUSVCV-SFHVURJKSA-N 1 0 362.518 2.239 50 0 FEAARO Cc1cc(C[C@H](C)Nc2nc(-c3ccco3)nc3c2CC[NH2+]CC3)n[nH]1 ZINC000072477910 541820586 /nfs/dbraw/zinc/82/05/86/541820586.db2.gz OHTQITKWOZYLEJ-LBPRGKRZSA-N 1 0 352.442 2.499 50 0 FEAARO C[NH2+][C@H]1CCN(C(=O)c2cnc3c(c2)c(C)nn3-c2ccc(F)cc2)C1 ZINC000097228883 209175870 /nfs/dbraw/zinc/17/58/70/209175870.db2.gz BNLXHJGFUWAKGF-HNNXBMFYSA-N 1 0 353.401 2.302 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)Nc1cccc2cccnc21 ZINC000097098781 209170100 /nfs/dbraw/zinc/17/01/00/209170100.db2.gz JVHLXESXHITEQX-MRXNPFEDSA-N 1 0 369.469 2.299 50 0 FEAARO CCOc1ccc(NC(=O)C[C@@H]2N=C(N3C[C@H](C)C[C@H](C)C3)NC2=O)cc1 ZINC000013685069 220086415 /nfs/dbraw/zinc/08/64/15/220086415.db2.gz BIYLAXXTVMHDRX-VBQJREDUSA-N 1 0 372.469 2.246 50 0 FEAARO C[NH+]1CCC(Cc2nc(CCc3cnccn3)n(CC(F)(F)F)n2)CC1 ZINC000096164434 209129329 /nfs/dbraw/zinc/12/93/29/209129329.db2.gz BSZYSVNZUAZUOE-UHFFFAOYSA-N 1 0 368.407 2.300 50 0 FEAARO COC(=O)c1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1Cl ZINC000096152866 209124980 /nfs/dbraw/zinc/12/49/80/209124980.db2.gz BUMHDROKWIRPSS-CYBMUJFWSA-N 1 0 369.849 2.095 50 0 FEAARO COCCOc1cccc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000096136886 209118896 /nfs/dbraw/zinc/11/88/96/209118896.db2.gz RPTOAJQWMDDAHF-ROUUACIJSA-N 1 0 363.458 2.087 50 0 FEAARO C[NH2+][C@H]1CCCN(C(=O)c2sc3ccccc3c2CS(C)(=O)=O)C1 ZINC000132933695 206682446 /nfs/dbraw/zinc/68/24/46/206682446.db2.gz SJVGZFMHNDFFES-LBPRGKRZSA-N 1 0 366.508 2.270 50 0 FEAARO COC(=O)c1cn(C[C@H](c2ccccc2)[NH+]2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588685 206794354 /nfs/dbraw/zinc/79/43/54/206794354.db2.gz XDFXHYAFAVIFJH-QGZVFWFLSA-N 1 0 366.421 2.300 50 0 FEAARO COc1ccc(CC[NH2+]Cc2ccc3c(c2)n(C)c(=O)n3C)cc1OC ZINC000004993748 207069594 /nfs/dbraw/zinc/06/95/94/207069594.db2.gz HHVYHRAXYIOORV-UHFFFAOYSA-N 1 0 355.438 2.227 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000006865308 207172837 /nfs/dbraw/zinc/17/28/37/207172837.db2.gz AVOMLJMSMNSXCT-GOSISDBHSA-N 1 0 365.433 2.092 50 0 FEAARO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000007780648 207207381 /nfs/dbraw/zinc/20/73/81/207207381.db2.gz FZIXAVDSEOIDQO-UHFFFAOYSA-N 1 0 373.906 2.405 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000008193079 207223495 /nfs/dbraw/zinc/22/34/95/207223495.db2.gz LJUHSGJLJOCQEJ-MRXNPFEDSA-N 1 0 358.486 2.203 50 0 FEAARO Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCC[NH+]3CCCC3)c2n1 ZINC000009687308 207281174 /nfs/dbraw/zinc/28/11/74/207281174.db2.gz VEOGPAFAYKBLPC-UHFFFAOYSA-N 1 0 366.469 2.051 50 0 FEAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011665324 207317409 /nfs/dbraw/zinc/31/74/09/207317409.db2.gz SVSSGQWOVFRXCD-GOSISDBHSA-N 1 0 369.465 2.497 50 0 FEAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000011843373 207325926 /nfs/dbraw/zinc/32/59/26/207325926.db2.gz JZMOUUMKTBWFIR-SFHVURJKSA-N 1 0 357.498 2.324 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC000011873562 207328268 /nfs/dbraw/zinc/32/82/68/207328268.db2.gz OIRRPVXWZCQQAB-MRXNPFEDSA-N 1 0 351.441 2.182 50 0 FEAARO Cc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)on1 ZINC000012386710 207368543 /nfs/dbraw/zinc/36/85/43/207368543.db2.gz UAKCFGFJBGXYTF-IBGZPJMESA-N 1 0 361.417 2.108 50 0 FEAARO C[NH+](C)CCCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012456810 207380449 /nfs/dbraw/zinc/38/04/49/207380449.db2.gz JEBFMHAOGQMNEB-CQSZACIVSA-N 1 0 371.403 2.264 50 0 FEAARO C[C@@H](Cn1cncn1)[NH+]1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000019742221 207708330 /nfs/dbraw/zinc/70/83/30/207708330.db2.gz CILYSHKWXWAFLI-AWEZNQCLSA-N 1 0 355.421 2.401 50 0 FEAARO O=c1ccc(-c2ccccc2)nn1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000077299298 542363345 /nfs/dbraw/zinc/36/33/45/542363345.db2.gz QFYGXPYOIYPHJB-SFHVURJKSA-N 1 0 369.465 2.228 50 0 FEAARO COc1ccccc1NC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000031663655 208015724 /nfs/dbraw/zinc/01/57/24/208015724.db2.gz LSXZXTYDJVKSOU-KRWDZBQOSA-N 1 0 355.438 2.236 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCC[N@H+]2CCCC[C@H]2C)c1=O ZINC000033005248 208065738 /nfs/dbraw/zinc/06/57/38/208065738.db2.gz OYNSOCCTVLFPMO-OAHLLOKOSA-N 1 0 356.470 2.086 50 0 FEAARO COc1ccc(OC)c(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)c1 ZINC000033069131 208070529 /nfs/dbraw/zinc/07/05/29/208070529.db2.gz BEEIGTCTZGNJOL-UHFFFAOYSA-N 1 0 372.425 2.377 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)C1 ZINC000033315113 208085013 /nfs/dbraw/zinc/08/50/13/208085013.db2.gz RHYXTUBGCPPJLF-DNVCBOLYSA-N 1 0 370.497 2.459 50 0 FEAARO CC[NH2+]Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC ZINC000036029411 208140538 /nfs/dbraw/zinc/14/05/38/208140538.db2.gz UKEDKHPWFAYKLE-UHFFFAOYSA-N 1 0 371.890 2.266 50 0 FEAARO CCC[NH+]1CCC(N2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)CC1 ZINC000039519251 208211145 /nfs/dbraw/zinc/21/11/45/208211145.db2.gz AFYSFDQFHZXMRE-OAQYLSRUSA-N 1 0 360.546 2.133 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000040082104 208224038 /nfs/dbraw/zinc/22/40/38/208224038.db2.gz RIKSENJWSOQKEY-MOPGFXCFSA-N 1 0 357.498 2.448 50 0 FEAARO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)C(=O)c2ccco2)CC1 ZINC000040089094 208224907 /nfs/dbraw/zinc/22/49/07/208224907.db2.gz VCDXWRUUKXFDSI-UHFFFAOYSA-N 1 0 369.465 2.395 50 0 FEAARO COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)c1 ZINC000045966648 208344713 /nfs/dbraw/zinc/34/47/13/208344713.db2.gz AJRQIMTWXZCVLR-UHFFFAOYSA-N 1 0 361.486 2.005 50 0 FEAARO CN(C)Cc1cn(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048135068 208387603 /nfs/dbraw/zinc/38/76/03/208387603.db2.gz JXOJWXGOBXENGH-KRWDZBQOSA-N 1 0 371.485 2.023 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 ZINC000048310016 208398225 /nfs/dbraw/zinc/39/82/25/208398225.db2.gz SUGKURLIGMITRB-HZPDHXFCSA-N 1 0 370.497 2.389 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1)NC1CC1 ZINC000077379358 542375823 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O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCC(O)(c2cccnc2)CC1 ZINC000072165840 208819701 /nfs/dbraw/zinc/81/97/01/208819701.db2.gz KQSPXTFHEZPBFV-INIZCTEOSA-N 1 0 351.450 2.282 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000077320404 208896566 /nfs/dbraw/zinc/89/65/66/208896566.db2.gz AWQWHYRUAKKYTJ-UHFFFAOYSA-N 1 0 365.905 2.347 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(c3nccc(C4CCCC4)n3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091876402 209002282 /nfs/dbraw/zinc/00/22/82/209002282.db2.gz HDFATEVQMYFUIG-UKBAYJJMSA-N 1 0 374.529 2.288 50 0 FEAARO O=C(CCc1ccc(F)c(F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091707163 208991879 /nfs/dbraw/zinc/99/18/79/208991879.db2.gz GMRQUVHBJUSUSO-IAGOWNOFSA-N 1 0 366.452 2.450 50 0 FEAARO COc1ccc2c(c1)OC[C@H](C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000091932408 209005663 /nfs/dbraw/zinc/00/56/63/209005663.db2.gz GOUMGNKTYNRDDS-LJQANCHMSA-N 1 0 366.461 2.421 50 0 FEAARO COc1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)cc1=O ZINC000091951842 209006955 /nfs/dbraw/zinc/00/69/55/209006955.db2.gz GGHMXVUUKRRBBR-FQEVSTJZSA-N 1 0 359.470 2.141 50 0 FEAARO C[NH+](C)[C@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@H]1CCCO ZINC000091965130 209007629 /nfs/dbraw/zinc/00/76/29/209007629.db2.gz CIDNIPXDCIXYQT-MJGOQNOKSA-N 1 0 355.486 2.063 50 0 FEAARO CCn1ccc2c1cccc2C[N@@H+]1C[C@H](CO)[C@H](CN2CCOCC2)C1 ZINC000092028311 209013882 /nfs/dbraw/zinc/01/38/82/209013882.db2.gz MEMIGPVTCDMRBX-RTBURBONSA-N 1 0 357.498 2.034 50 0 FEAARO COc1ccc(/C=C/C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091998155 209010489 /nfs/dbraw/zinc/01/04/89/209010489.db2.gz UJJYYDHJKPUZRD-VQPCMXCISA-N 1 0 374.525 2.358 50 0 FEAARO COC(=O)C1CC[NH+](CCCNC(=O)CCc2ccc(F)cc2)CC1 ZINC000095350356 209022028 /nfs/dbraw/zinc/02/20/28/209022028.db2.gz CYYXJIDKHURKKD-UHFFFAOYSA-N 1 0 350.434 2.150 50 0 FEAARO CCCCSc1nc(NC[C@@H]2CCCN(S(C)(=O)=O)C2)cc(N)[nH+]1 ZINC000095362333 209029460 /nfs/dbraw/zinc/02/94/60/209029460.db2.gz APFAINWCYJJZNK-LBPRGKRZSA-N 1 0 373.548 2.035 50 0 FEAARO CN(CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1)Cc1ccncc1 ZINC000095362446 209030176 /nfs/dbraw/zinc/03/01/76/209030176.db2.gz GYSMRAJVKDMMOS-WOJBJXKFSA-N 1 0 356.514 2.236 50 0 FEAARO CCc1ncc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)cn1 ZINC000095368520 209033792 /nfs/dbraw/zinc/03/37/92/209033792.db2.gz FMAGXNNRAAXCBZ-MRXNPFEDSA-N 1 0 370.501 2.207 50 0 FEAARO O=C(NCCCc1nnc2ccccn21)C1CC[NH+](Cc2ccco2)CC1 ZINC000095371489 209034860 /nfs/dbraw/zinc/03/48/60/209034860.db2.gz BVRLNIJYJOCCED-UHFFFAOYSA-N 1 0 367.453 2.283 50 0 FEAARO Cc1cc(C[C@@H]2COC[C@@H]2[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)on1 ZINC000095371363 209035423 /nfs/dbraw/zinc/03/54/23/209035423.db2.gz JGVVYAFJIONUHK-XIKOKIGWSA-N 1 0 357.385 2.311 50 0 FEAARO CN(C)[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccccc1F ZINC000095385081 209041925 /nfs/dbraw/zinc/04/19/25/209041925.db2.gz WZFJBMFJAUMJBI-SFHVURJKSA-N 1 0 365.518 2.468 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3nc(C)c[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095392261 209047426 /nfs/dbraw/zinc/04/74/26/209047426.db2.gz YXHNHWZLZOSUEI-IPMKNSEASA-N 1 0 366.465 2.429 50 0 FEAARO C[NH+](C)C[C@H](O)Cn1cc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cn1 ZINC000095456503 209052875 /nfs/dbraw/zinc/05/28/75/209052875.db2.gz LYNBGEGFLQCBLA-AWEZNQCLSA-N 1 0 361.833 2.193 50 0 FEAARO Nc1nnc(CCCNC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000095500176 209061682 /nfs/dbraw/zinc/06/16/82/209061682.db2.gz GLTOULRVTDEDMI-OAHLLOKOSA-N 1 0 359.499 2.049 50 0 FEAARO CC[NH+](CC)CCN(C(=O)Nc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000095951623 209089425 /nfs/dbraw/zinc/08/94/25/209089425.db2.gz HLCSZVGNDHEDLR-KRWDZBQOSA-N 1 0 367.515 2.358 50 0 FEAARO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000056201281 221079480 /nfs/dbraw/zinc/07/94/80/221079480.db2.gz ZQYFGDXKQPPWDI-UONOGXRCSA-N 1 0 356.426 2.155 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C3CC3)n[nH]1)CC2 ZINC000095506798 209065341 /nfs/dbraw/zinc/06/53/41/209065341.db2.gz VEYRWXBBOYWSBG-UHFFFAOYSA-N 1 0 368.485 2.410 50 0 FEAARO CC(=O)NCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095505353 209065227 /nfs/dbraw/zinc/06/52/27/209065227.db2.gz LLXSKBZKTCCIIK-VQTJNVASSA-N 1 0 357.498 2.068 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000095518052 209071005 /nfs/dbraw/zinc/07/10/05/209071005.db2.gz MFRMFHKAHCPEQZ-GOSISDBHSA-N 1 0 370.497 2.489 50 0 FEAARO O=C1CCC(c2ccccc2)=NN1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082083868 542683141 /nfs/dbraw/zinc/68/31/41/542683141.db2.gz BXEDTFMWHABPSC-SFHVURJKSA-N 1 0 371.481 2.331 50 0 FEAARO O=C1CCC(c2ccccc2)=NN1CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082083865 542683216 /nfs/dbraw/zinc/68/32/16/542683216.db2.gz BXEDTFMWHABPSC-GOSISDBHSA-N 1 0 371.481 2.331 50 0 FEAARO c1nc2nc(-c3ccccc3)cc(NC3CC[NH+]([C@H]4CCOC4)CC3)n2n1 ZINC000084560052 542716681 /nfs/dbraw/zinc/71/66/81/542716681.db2.gz RUDAOVZXDUGXOS-KRWDZBQOSA-N 1 0 364.453 2.457 50 0 FEAARO O=c1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)[nH]c2ccc(F)cc12 ZINC000095379981 132209397 /nfs/dbraw/zinc/20/93/97/132209397.db2.gz VOHMQAPHLDFFJR-CQSZACIVSA-N 1 0 353.401 2.216 50 0 FEAARO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCCn1ccnc1 ZINC000095427838 132210943 /nfs/dbraw/zinc/21/09/43/132210943.db2.gz SDYWERSFNQLEIP-KRWDZBQOSA-N 1 0 371.485 2.069 50 0 FEAARO COc1cccc(C[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)c1OC ZINC000095501698 132212198 /nfs/dbraw/zinc/21/21/98/132212198.db2.gz ODWSLUGESDIUQR-UHFFFAOYSA-N 1 0 368.441 2.129 50 0 FEAARO C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237557900 132248019 /nfs/dbraw/zinc/24/80/19/132248019.db2.gz QAJSNQHOTRPRPW-XOBRGWDASA-N 1 0 363.477 2.496 50 0 FEAARO Cc1cccc(N2CC[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1C ZINC000176627310 132265573 /nfs/dbraw/zinc/26/55/73/132265573.db2.gz JHERDWJZTUZOJO-GOSISDBHSA-N 1 0 365.543 2.097 50 0 FEAARO Cc1cc(N2CCN(C(=O)C3(N4CCOCC4)CCCCC3)CC2)cc[nH+]1 ZINC000219963156 132275534 /nfs/dbraw/zinc/27/55/34/132275534.db2.gz AFCPQWBHDXJWEE-UHFFFAOYSA-N 1 0 372.513 2.074 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(Oc3cccc(F)c3)CC2)n1 ZINC000223248170 132278989 /nfs/dbraw/zinc/27/89/89/132278989.db2.gz NZGDDALGCOEVLA-UHFFFAOYSA-N 1 0 357.433 2.450 50 0 FEAARO Nc1nc(N2CCN(Cc3cccc(Cl)c3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000223682450 132279648 /nfs/dbraw/zinc/27/96/48/132279648.db2.gz VCYWXJDKYPUPRH-UHFFFAOYSA-N 1 0 373.888 2.273 50 0 FEAARO Cc1cc(C)nc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000230154187 132288685 /nfs/dbraw/zinc/28/86/85/132288685.db2.gz OXZBUGGQNBBFDZ-HXUWFJFHSA-N 1 0 357.502 2.007 50 0 FEAARO Cc1cnc(C)c(N2CC[NH+](CCC(=O)NC3CCCCCC3)CC2)n1 ZINC000244900043 132291808 /nfs/dbraw/zinc/29/18/08/132291808.db2.gz ZVDKNKMFUFDLHQ-UHFFFAOYSA-N 1 0 359.518 2.445 50 0 FEAARO COc1cccc(N2CCC([N@@H+]3CC[C@@H]4OCc5cnnn5[C@H]4C3)CC2)c1 ZINC000299781070 132299643 /nfs/dbraw/zinc/29/96/43/132299643.db2.gz ULLZBYOCZIRZKJ-PMACEKPBSA-N 1 0 369.469 2.101 50 0 FEAARO c1ccc(N2CCOCC2)c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000109070709 132306609 /nfs/dbraw/zinc/30/66/09/132306609.db2.gz KHFYVWQTVBXMDX-SFHVURJKSA-N 1 0 353.470 2.072 50 0 FEAARO O=C1[C@@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000002183624 132382712 /nfs/dbraw/zinc/38/27/12/132382712.db2.gz WWAPNQKWAZMCKH-SFHVURJKSA-N 1 0 356.470 2.015 50 0 FEAARO Cc1ccc2c(c1)N(CCC(=O)NCCC[NH+]1CCCC1)C(=O)[C@H](C)O2 ZINC000003907314 132385943 /nfs/dbraw/zinc/38/59/43/132385943.db2.gz RYOGKZSKMPAFAD-INIZCTEOSA-N 1 0 359.470 2.101 50 0 FEAARO COc1cccc(NC(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)c1 ZINC000015825094 132879989 /nfs/dbraw/zinc/87/99/89/132879989.db2.gz NFFJOIYKSINPJH-UHFFFAOYSA-N 1 0 370.457 2.214 50 0 FEAARO C[NH+](C)[C@H]1CCN(Cc2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 ZINC000091440749 542807557 /nfs/dbraw/zinc/80/75/57/542807557.db2.gz BXUAKNIQQZVBAG-ZDUSSCGKSA-N 1 0 355.364 2.302 50 0 FEAARO COc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)nc2ccccc21 ZINC000091435125 542807888 /nfs/dbraw/zinc/80/78/88/542807888.db2.gz UHKCIXGOGUGIGV-HZPDHXFCSA-N 1 0 369.465 2.020 50 0 FEAARO C[NH+](C)CCN1C[C@H](C(=O)NC2c3ccccc3-c3ccccc32)CC1=O ZINC000091255196 542803019 /nfs/dbraw/zinc/80/30/19/542803019.db2.gz JZTZPKIZMLLQFU-OAHLLOKOSA-N 1 0 363.461 2.283 50 0 FEAARO Cc1ccc2[nH]c(CN3CC[N@H+](C)[C@@]4(C3)CCC(=O)N(C)CC4)nc2c1C ZINC000091289105 542804133 /nfs/dbraw/zinc/80/41/33/542804133.db2.gz XYSFPLMRKNTVBI-NRFANRHFSA-N 1 0 369.513 2.308 50 0 FEAARO CC(C)N1CCC[C@]2(CC[N@H+](Cc3nnc(-c4cccnc4)o3)C2)C1=O ZINC000091574652 542813344 /nfs/dbraw/zinc/81/33/44/542813344.db2.gz HQIVSILLCLRHIL-LJQANCHMSA-N 1 0 355.442 2.355 50 0 FEAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000091574570 542813666 /nfs/dbraw/zinc/81/36/66/542813666.db2.gz AAIIZPNSRXKENC-UHFFFAOYSA-N 1 0 368.481 2.241 50 0 FEAARO C[NH+](C)[C@H]1CCN(C(=O)CC[NH+]2Cc3ccccc3C2)C[C@H]1CCC(=O)[O-] ZINC000091645495 542817931 /nfs/dbraw/zinc/81/79/31/542817931.db2.gz SCPMHZMAJZCYFZ-MOPGFXCFSA-N 1 0 373.497 2.036 50 0 FEAARO Cc1cccc2nc(C[N@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)cc(=O)n12 ZINC000091663988 542819034 /nfs/dbraw/zinc/81/90/34/542819034.db2.gz JLPAREKVDBYUER-NRFANRHFSA-N 1 0 368.481 2.226 50 0 FEAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)c(C)c1C ZINC000091678270 542819498 /nfs/dbraw/zinc/81/94/98/542819498.db2.gz MONPYIZELBZOOV-UHFFFAOYSA-N 1 0 373.497 2.002 50 0 FEAARO CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)n(C)n1 ZINC000091680477 542819526 /nfs/dbraw/zinc/81/95/26/542819526.db2.gz IZMDGZDTWYJLGM-DOTOQJQBSA-N 1 0 360.502 2.259 50 0 FEAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091725283 542821952 /nfs/dbraw/zinc/82/19/52/542821952.db2.gz BALQPIOKLOTKRR-UHFFFAOYSA-N 1 0 365.481 2.481 50 0 FEAARO CCNc1ncc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000091737207 542822787 /nfs/dbraw/zinc/82/27/87/542822787.db2.gz XECZYGCLICILSO-INIZCTEOSA-N 1 0 353.470 2.436 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CN3C)[NH+](C)C)cc1 ZINC000058213182 136131045 /nfs/dbraw/zinc/13/10/45/136131045.db2.gz AMXBXZAJFMWKJG-LJQANCHMSA-N 1 0 366.465 2.416 50 0 FEAARO CCN1C[C@H](C[N@H+](C)Cc2cc(=O)n3ccccc3n2)Oc2ccccc21 ZINC000058289085 136131394 /nfs/dbraw/zinc/13/13/94/136131394.db2.gz BVENDTPDJZCPOT-KRWDZBQOSA-N 1 0 364.449 2.414 50 0 FEAARO CC(C)OCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000058380716 136131752 /nfs/dbraw/zinc/13/17/52/136131752.db2.gz FXUYYQJGIBSATL-IBGZPJMESA-N 1 0 374.529 2.257 50 0 FEAARO c1cc(-c2nc3c(c(N4CCOC5(CCCC5)C4)n2)CC[NH2+]C3)ccn1 ZINC000071746010 136139812 /nfs/dbraw/zinc/13/98/12/136139812.db2.gz YSMMMIXIHAYIJY-UHFFFAOYSA-N 1 0 351.454 2.334 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3cnccn3)C[C@@H]2CCO)c(C)c1C ZINC000072418801 136145821 /nfs/dbraw/zinc/14/58/21/136145821.db2.gz BPYTYUMGWBOKQB-SFHVURJKSA-N 1 0 356.470 2.175 50 0 FEAARO C[C@@]1(CO)CCCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)C1 ZINC000072426845 136146696 /nfs/dbraw/zinc/14/66/96/136146696.db2.gz GPYLOKGVRCXIRV-OAQYLSRUSA-N 1 0 352.482 2.431 50 0 FEAARO Cc1ccccc1OC1CCN(c2nc(N)nc3c2CC[NH2+]CC3)CC1 ZINC000072435239 136147387 /nfs/dbraw/zinc/14/73/87/136147387.db2.gz TUQBIHFQOYTGLW-UHFFFAOYSA-N 1 0 353.470 2.103 50 0 FEAARO Cc1noc([C@H]2CN(C(=O)Cc3ccccc3)CC23CC[NH+](C)CC3)n1 ZINC000097138244 543005686 /nfs/dbraw/zinc/00/56/86/543005686.db2.gz ANCRBMUJXDTQGG-QGZVFWFLSA-N 1 0 354.454 2.259 50 0 FEAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000097499628 543012388 /nfs/dbraw/zinc/01/23/88/543012388.db2.gz SRGKTISSKDQBOV-OAHLLOKOSA-N 1 0 366.889 2.118 50 0 FEAARO Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000111394705 543400668 /nfs/dbraw/zinc/40/06/68/543400668.db2.gz CFDBDAHEQDJAAD-FQEVSTJZSA-N 1 0 367.449 2.311 50 0 FEAARO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)o1 ZINC000095521926 209074211 /nfs/dbraw/zinc/07/42/11/209074211.db2.gz XKMNCIXVIVVPMC-UHFFFAOYSA-N 1 0 366.425 2.414 50 0 FEAARO CCOc1ncccc1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095524755 209075448 /nfs/dbraw/zinc/07/54/48/209075448.db2.gz QKVDNGWSCRKSFM-MRXNPFEDSA-N 1 0 371.485 2.258 50 0 FEAARO CN1CCN(c2cccc(NC(=O)N[C@H]3Cc4ccccc4[C@@H]3[NH3+])c2)C1=O ZINC000095524629 209075582 /nfs/dbraw/zinc/07/55/82/209075582.db2.gz KRSZXWPSQSOEKN-ROUUACIJSA-N 1 0 365.437 2.305 50 0 FEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000126323900 543930305 /nfs/dbraw/zinc/93/03/05/543930305.db2.gz QFHZXJSZQBJVGX-VIFPVBQESA-N 1 0 350.216 2.137 50 0 FEAARO CC(C)N1C[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC1=O ZINC000150979286 544492679 /nfs/dbraw/zinc/49/26/79/544492679.db2.gz COGGADWOAXIBHQ-INIZCTEOSA-N 1 0 356.470 2.398 50 0 FEAARO C[N@H+]1C[C@H]2CN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)C[C@H]2C1 ZINC000192499464 328322403 /nfs/dbraw/zinc/32/24/03/328322403.db2.gz CVHCOMKJWGNJGM-OKILXGFUSA-N 1 0 350.409 2.033 50 0 FEAARO C[C@H]1Cc2cc(S(=O)(=O)NCC3(C)CC[NH2+]CC3)cc(Cl)c2O1 ZINC000193373828 328371290 /nfs/dbraw/zinc/37/12/90/328371290.db2.gz JVONZACMWNSKFP-NSHDSACASA-N 1 0 358.891 2.331 50 0 FEAARO CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000111835257 325738304 /nfs/dbraw/zinc/73/83/04/325738304.db2.gz PHGBUIMSOWJZLQ-UHFFFAOYSA-N 1 0 372.513 2.481 50 0 FEAARO CC(C)[C@H](NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1)c1nc(C2CC2)no1 ZINC000252677587 519820491 /nfs/dbraw/zinc/82/04/91/519820491.db2.gz ZFPFEIQVHXZVHC-GUTXKFCHSA-N 1 0 373.461 2.108 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3ccc(C(C)C)[nH]c3=O)cc2C1 ZINC000082086926 519855317 /nfs/dbraw/zinc/85/53/17/519855317.db2.gz OTIITGTUSDSGAR-UHFFFAOYSA-N 1 0 371.485 2.241 50 0 FEAARO CCCS(=O)(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082098301 520531095 /nfs/dbraw/zinc/53/10/95/520531095.db2.gz IWUUETTYHMEOMC-UHFFFAOYSA-N 1 0 354.520 2.251 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)CC1 ZINC000019791406 521673305 /nfs/dbraw/zinc/67/33/05/521673305.db2.gz BGFOMDOLZOIVJS-MRXNPFEDSA-N 1 0 366.456 2.005 50 0 FEAARO CC[NH+]1CCN(CC(=O)NCc2cccnc2Oc2ccccc2F)CC1 ZINC000019792567 521676125 /nfs/dbraw/zinc/67/61/25/521676125.db2.gz KDWDFKCAYLWJQS-UHFFFAOYSA-N 1 0 372.444 2.267 50 0 FEAARO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000079071536 521751767 /nfs/dbraw/zinc/75/17/67/521751767.db2.gz FBRCZPKRAVEQPC-HXUWFJFHSA-N 1 0 371.481 2.071 50 0 FEAARO C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000079071531 521752472 /nfs/dbraw/zinc/75/24/72/521752472.db2.gz FBRCZPKRAVEQPC-FQEVSTJZSA-N 1 0 371.481 2.071 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c(c(Br)c2)OCO3)C1 ZINC000269116541 522044516 /nfs/dbraw/zinc/04/45/16/522044516.db2.gz URQBXGQVSAAODT-JTQLQIEISA-N 1 0 355.232 2.249 50 0 FEAARO COCCC(=O)N[C@H]1C[N@H+](Cc2ccc(OC)cc2F)C[C@@H]1C1CC1 ZINC000091320075 522959148 /nfs/dbraw/zinc/95/91/48/522959148.db2.gz FNQMMGIQLVAIIR-AEFFLSMTSA-N 1 0 350.434 2.197 50 0 FEAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000082083140 523184888 /nfs/dbraw/zinc/18/48/88/523184888.db2.gz PLHFTCLOZZKIFX-UHFFFAOYSA-N 1 0 359.522 2.090 50 0 FEAARO COc1ccc(-c2noc(CN3CCC([N@@H+]4CCC[C@H](O)C4)CC3)n2)cc1 ZINC000020455968 523286097 /nfs/dbraw/zinc/28/60/97/523286097.db2.gz NDOGYKMIODQWTN-KRWDZBQOSA-N 1 0 372.469 2.166 50 0 FEAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cccn4)n3C)C2)nc1 ZINC000091270479 523925502 /nfs/dbraw/zinc/92/55/02/523925502.db2.gz XPJFZNXTBKXEME-QGZVFWFLSA-N 1 0 365.485 2.397 50 0 FEAARO COc1ccccc1-n1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(C)o3)C2)cn1 ZINC000091575110 524304370 /nfs/dbraw/zinc/30/43/70/524304370.db2.gz FMARGIIHRSIVLG-HOTGVXAUSA-N 1 0 366.421 2.349 50 0 FEAARO C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C[C@H](C)[NH2+]1 ZINC000153401308 524851059 /nfs/dbraw/zinc/85/10/59/524851059.db2.gz DNLZGPXGLJVICN-AOOOYVTPSA-N 1 0 364.243 2.113 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000153570457 525596165 /nfs/dbraw/zinc/59/61/65/525596165.db2.gz QMTAXAFENCZKQB-ZIAGYGMSSA-N 1 0 357.458 2.185 50 0 FEAARO COc1cccc(NC(=O)[C@@H]([NH2+]CCN2CCOCC2)c2ccccc2)c1 ZINC000083973592 526197865 /nfs/dbraw/zinc/19/78/65/526197865.db2.gz CLLBWBVWZSXESY-FQEVSTJZSA-N 1 0 369.465 2.297 50 0 FEAARO Cc1nn(CCO)cc1C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000020201450 526282020 /nfs/dbraw/zinc/28/20/20/526282020.db2.gz QGWYJCROIZRDHH-UHFFFAOYSA-N 1 0 358.490 2.270 50 0 FEAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1ccnc1)C2 ZINC000091270560 526505431 /nfs/dbraw/zinc/50/54/31/526505431.db2.gz KZHBZPVSNAVUPR-ZWKOTPCHSA-N 1 0 371.485 2.391 50 0 FEAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)[C@H](O)c1ccccc1 ZINC000082135203 526645720 /nfs/dbraw/zinc/64/57/20/526645720.db2.gz LQXIVMBCOMFDOG-HXUWFJFHSA-N 1 0 368.481 2.381 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)C1CCOCC1 ZINC000082148125 526645954 /nfs/dbraw/zinc/64/59/54/526645954.db2.gz HMROOFKIVIAKTQ-UHFFFAOYSA-N 1 0 360.502 2.464 50 0 FEAARO O=C1NCCC[C@@]12CC[N@H+](Cc1ccc(OCCn3ccnc3)cc1)C2 ZINC000091616455 527064814 /nfs/dbraw/zinc/06/48/14/527064814.db2.gz SZOANXVMCLYSTF-FQEVSTJZSA-N 1 0 354.454 2.064 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000178556663 527216321 /nfs/dbraw/zinc/21/63/21/527216321.db2.gz BPVTYWMPDPEKDW-VIFPVBQESA-N 1 0 350.216 2.124 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)C1 ZINC000178588173 527217813 /nfs/dbraw/zinc/21/78/13/527217813.db2.gz KQVSWWYBKXGDDL-JTQLQIEISA-N 1 0 356.323 2.451 50 0 FEAARO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000237870884 527350052 /nfs/dbraw/zinc/35/00/52/527350052.db2.gz HQBUMUOATUSKEL-RKVPGOIHSA-N 1 0 365.905 2.347 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000158217479 527397858 /nfs/dbraw/zinc/39/78/58/527397858.db2.gz QENIMCACZYLSMC-HNNXBMFYSA-N 1 0 367.287 2.447 50 0 FEAARO Cn1ncc2c1nc(CCc1ccccc1)nc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000244874306 527581509 /nfs/dbraw/zinc/58/15/09/527581509.db2.gz WYVDZHSFNJGTHD-KRWDZBQOSA-N 1 0 362.481 2.433 50 0 FEAARO O[C@@H]1CN(Cc2ccoc2)CC[C@H]1[NH+]1CCN(CCc2ccccc2)CC1 ZINC000020598944 527678562 /nfs/dbraw/zinc/67/85/62/527678562.db2.gz WSJHCUNUSHJTIG-FGZHOGPDSA-N 1 0 369.509 2.075 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccco1 ZINC000058180810 535675331 /nfs/dbraw/zinc/67/53/31/535675331.db2.gz RDOONYOUTKUCDA-IAGOWNOFSA-N 1 0 371.485 2.485 50 0 FEAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cnc3onc(C(C)C)c3c2)CC1 ZINC000192555587 548366312 /nfs/dbraw/zinc/36/63/12/548366312.db2.gz NNIOVTPKYCJWDO-AWEZNQCLSA-N 1 0 359.474 2.102 50 0 FEAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCCCc1nnc2ccccn21 ZINC000219739732 548696260 /nfs/dbraw/zinc/69/62/60/548696260.db2.gz LHYNISWFSHMTRP-SFHVURJKSA-N 1 0 363.465 2.268 50 0 FEAARO Cn1nccc1[C@H](O)c1cc2n(n1)CCCN(Cc1ccncc1Cl)C2 ZINC000221265313 548704255 /nfs/dbraw/zinc/70/42/55/548704255.db2.gz AFCVAXDDEJEFCK-GOSISDBHSA-N 1 0 372.860 2.153 50 0 FEAARO O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000223072813 548715435 /nfs/dbraw/zinc/71/54/35/548715435.db2.gz MACAVJRUCPOZJQ-XWPNQZOQSA-N 1 0 360.429 2.157 50 0 FEAARO Cc1c[nH]nc1C1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)CC1 ZINC000223478996 548720606 /nfs/dbraw/zinc/72/06/06/548720606.db2.gz VKEVMTZEODARBT-SHTZXODSSA-N 1 0 355.490 2.229 50 0 FEAARO CCOc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1OCc1ccncc1 ZINC000236887805 548787183 /nfs/dbraw/zinc/78/71/83/548787183.db2.gz CMJTXCGWBXPVEM-HNNXBMFYSA-N 1 0 355.438 2.493 50 0 FEAARO Cc1ccc(C2(O)CC[NH+](C[C@H]3Cc4c(nc(C)nc4C)O3)CC2)nc1 ZINC000244817024 548896318 /nfs/dbraw/zinc/89/63/18/548896318.db2.gz SSXWKAIWTOGRMU-MRXNPFEDSA-N 1 0 354.454 2.084 50 0 FEAARO Cc1ccc(C(=O)NCCC(=O)NC[C@H]2Cc3ccccc3C[N@H+]2C)cc1 ZINC000244866512 548897238 /nfs/dbraw/zinc/89/72/38/548897238.db2.gz VXLQPGXODNWWNT-HXUWFJFHSA-N 1 0 365.477 2.288 50 0 FEAARO [NH3+]Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c1 ZINC000252484540 549668120 /nfs/dbraw/zinc/66/81/20/549668120.db2.gz FYXBMSNWNVBRQK-FQEVSTJZSA-N 1 0 365.477 2.499 50 0 FEAARO Nc1nc(N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c2c([nH+]1)CCC2 ZINC000252528099 549672912 /nfs/dbraw/zinc/67/29/12/549672912.db2.gz FBWZKUAAVBZCJP-IYOUNJFTSA-N 1 0 352.438 2.407 50 0 FEAARO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1F ZINC000253429378 549688164 /nfs/dbraw/zinc/68/81/64/549688164.db2.gz NAIMXVIHPYYDJK-XYJFISCASA-N 1 0 353.434 2.415 50 0 FEAARO CCCOc1ccc(C[N@H+](C)[C@H]2CCc3nn(C)c(=O)n3CC2)cc1OC ZINC000257189851 549714352 /nfs/dbraw/zinc/71/43/52/549714352.db2.gz KGGGVXQOPHHRNW-INIZCTEOSA-N 1 0 374.485 2.216 50 0 FEAARO CCCOc1ccc(C[N@H+](C)[C@@H]2CCc3nn(C)c(=O)n3CC2)cc1OC ZINC000257189852 549714993 /nfs/dbraw/zinc/71/49/93/549714993.db2.gz KGGGVXQOPHHRNW-MRXNPFEDSA-N 1 0 374.485 2.216 50 0 FEAARO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262171319 549794878 /nfs/dbraw/zinc/79/48/78/549794878.db2.gz ATFJMLAJHMURQG-IVGGMSORSA-N 1 0 363.546 2.240 50 0 FEAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000269253105 550172867 /nfs/dbraw/zinc/17/28/67/550172867.db2.gz ULXSJASGPKGRNO-GMXABZIVSA-N 1 0 359.253 2.086 50 0 FEAARO CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290410772 552474898 /nfs/dbraw/zinc/47/48/98/552474898.db2.gz MOEAVGLOQRJOLJ-INIZCTEOSA-N 1 0 364.511 2.114 50 0 FEAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCCc1ccccn1)C2 ZINC000299757938 553611286 /nfs/dbraw/zinc/61/12/86/553611286.db2.gz LKMGMUJFDMHJNT-MRXNPFEDSA-N 1 0 369.465 2.422 50 0 FEAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1-c1nn[nH]n1 ZINC000299765272 553611777 /nfs/dbraw/zinc/61/17/77/553611777.db2.gz LJTSIVDIOYPGES-WMLDXEAASA-N 1 0 354.458 2.251 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)N2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000299769466 553612511 /nfs/dbraw/zinc/61/25/11/553612511.db2.gz XOHGSHAXWCNKBF-GOSISDBHSA-N 1 0 360.458 2.364 50 0 FEAARO Cn1cnnc1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299771681 553613380 /nfs/dbraw/zinc/61/33/80/553613380.db2.gz VQJSFQSJAOUKCU-SFHVURJKSA-N 1 0 355.486 2.481 50 0 FEAARO COc1c(N)cc[nH+]c1-c1cccc(C(=O)NCCCN2CCCC2=O)c1 ZINC000299777343 553613885 /nfs/dbraw/zinc/61/38/85/553613885.db2.gz JSSOSDMJFAQRIY-UHFFFAOYSA-N 1 0 368.437 2.082 50 0 FEAARO CN1C[C@]2(CCN(C(=O)CC3CC[NH+](Cc4ccccc4)CC3)C2)OC1=O ZINC000299786805 553614297 /nfs/dbraw/zinc/61/42/97/553614297.db2.gz PQZXSITZVXVSNT-NRFANRHFSA-N 1 0 371.481 2.342 50 0 FEAARO CN(C)c1cccc(-c2cccc(C(=O)NC[C@H]3C[N@H+](C)CCN3C)c2)c1 ZINC000299785176 553614601 /nfs/dbraw/zinc/61/46/01/553614601.db2.gz ZZVLJTXNLQVALT-NRFANRHFSA-N 1 0 366.509 2.395 50 0 FEAARO O=C1CCN(Cc2ccc(F)cc2F)CCN1CC[NH+]1CCCCC1 ZINC000299784762 553614663 /nfs/dbraw/zinc/61/46/63/553614663.db2.gz MTZCPJBCLUNGHG-UHFFFAOYSA-N 1 0 351.441 2.485 50 0 FEAARO O=C(Cc1cnc[nH]c1=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299786893 553614736 /nfs/dbraw/zinc/61/47/36/553614736.db2.gz UNZBTXGYKRSBNI-GOSISDBHSA-N 1 0 354.454 2.458 50 0 FEAARO O=C(Nc1ccc2c(c1)COC2=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000299793025 553614927 /nfs/dbraw/zinc/61/49/27/553614927.db2.gz HXSGYLCCKQTQMZ-UHFFFAOYSA-N 1 0 361.467 2.402 50 0 FEAARO O=C(CN1CCCCCC1=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299801304 553616660 /nfs/dbraw/zinc/61/66/60/553616660.db2.gz ZASYGVGIGUQRRR-GOSISDBHSA-N 1 0 361.461 2.481 50 0 FEAARO O=S1(=O)CC[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)c2ccccc21 ZINC000328595161 553794853 /nfs/dbraw/zinc/79/48/53/553794853.db2.gz MIUZNMOPGGEYAP-OAHLLOKOSA-N 1 0 361.419 2.302 50 0 FEAARO CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cnc2n1CCCC2 ZINC000370260803 556824071 /nfs/dbraw/zinc/82/40/71/556824071.db2.gz JMXIYFPXQBNSTD-LJQANCHMSA-N 1 0 366.465 2.372 50 0 FEAARO Cc1ccc(C(=O)N[C@H]2CCN(c3cc(N4CCCC4)cn[nH+]3)C2)s1 ZINC000409420831 558691027 /nfs/dbraw/zinc/69/10/27/558691027.db2.gz DTYGHNRMUJTZOL-AWEZNQCLSA-N 1 0 357.483 2.455 50 0 FEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000426497219 559735887 /nfs/dbraw/zinc/73/58/87/559735887.db2.gz KNYRJHDPVWCONA-UHFFFAOYSA-N 1 0 373.428 2.072 50 0 FEAARO C[N@@H+]1CCCNC(=O)C12CCN(C(=O)NCCCCc1ccccc1)CC2 ZINC000426537758 559737334 /nfs/dbraw/zinc/73/73/34/559737334.db2.gz VLQOFFZYBHJZIX-UHFFFAOYSA-N 1 0 372.513 2.005 50 0 FEAARO Cn1cnnc1CSc1nnc(C2CC[NH2+]CC2)n1Cc1ccccc1 ZINC000426597263 559738678 /nfs/dbraw/zinc/73/86/78/559738678.db2.gz QEEZCXQPEUWHKY-UHFFFAOYSA-N 1 0 369.498 2.214 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)c2cccc(-c3cnc(N)cn3)c2)CC1 ZINC000426677831 559740151 /nfs/dbraw/zinc/74/01/51/559740151.db2.gz DDKIGJPVNVAVGX-UHFFFAOYSA-N 1 0 371.510 2.283 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426711253 559740775 /nfs/dbraw/zinc/74/07/75/559740775.db2.gz HTMCCXXEULSTRR-ORYQWCPZSA-N 1 0 372.465 2.049 50 0 FEAARO CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCOC(C)(C)C1 ZINC000426765095 559741607 /nfs/dbraw/zinc/74/16/07/559741607.db2.gz BZMBCBBUCOSIND-QGZVFWFLSA-N 1 0 360.502 2.253 50 0 FEAARO Cc1nnc([C@@H]2CCCN(C(=O)NC3CC[NH+](Cc4ccco4)CC3)C2)[nH]1 ZINC000534631679 562538656 /nfs/dbraw/zinc/53/86/56/562538656.db2.gz ALOJVDSQULTCMG-OAHLLOKOSA-N 1 0 372.473 2.260 50 0 FEAARO O=C(NCCCc1ccccc1F)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000534649377 562539163 /nfs/dbraw/zinc/53/91/63/562539163.db2.gz FZHXUOKUIPHDRQ-GOSISDBHSA-N 1 0 363.477 2.247 50 0 FEAARO CC[C@H](CNC(=O)N1CCC(c2cccc(O)c2)CC1)N1CC[NH+](C)CC1 ZINC000534662710 562539719 /nfs/dbraw/zinc/53/97/19/562539719.db2.gz JGJYMVMUAZVNGC-LJQANCHMSA-N 1 0 374.529 2.307 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CCc3nc(N(CC)CC)ncc3C2)CC1 ZINC000075877379 570620275 /nfs/dbraw/zinc/62/02/75/570620275.db2.gz RAXRPKYXAZSHSJ-QGZVFWFLSA-N 1 0 373.545 2.372 50 0 FEAARO Cc1noc(C)c1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420950 570906711 /nfs/dbraw/zinc/90/67/11/570906711.db2.gz NLZPSNJHBKDCDN-GOSISDBHSA-N 1 0 356.470 2.279 50 0 FEAARO CCOC(=O)N[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000047932325 570932377 /nfs/dbraw/zinc/93/23/77/570932377.db2.gz GDESICYVZHYBLM-SJORKVTESA-N 1 0 365.474 2.185 50 0 FEAARO C[C@H](OCC(F)(F)F)C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048366545 570951908 /nfs/dbraw/zinc/95/19/08/570951908.db2.gz NSYBLNQPKDYRCU-GOEBONIOSA-N 1 0 373.419 2.059 50 0 FEAARO O=C(NN=c1nccc[nH]1)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000096012293 571008834 /nfs/dbraw/zinc/00/88/34/571008834.db2.gz UWXZNHSPEFPDJA-SJORKVTESA-N 1 0 351.454 2.362 50 0 FEAARO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3nccc4[nH]ccc43)C2)[C@@H]1C(C)C ZINC000685941604 571101417 /nfs/dbraw/zinc/10/14/17/571101417.db2.gz FSUXYGXJTFXTPF-HBXLWWENSA-N 1 0 356.470 2.163 50 0 FEAARO CNC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820205 571292850 /nfs/dbraw/zinc/29/28/50/571292850.db2.gz XVINWGZGDGMQSU-LJQANCHMSA-N 1 0 372.513 2.162 50 0 FEAARO Cc1noc(C)c1CN(C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000584890708 571314547 /nfs/dbraw/zinc/31/45/47/571314547.db2.gz AVRJWSDVPJBJDH-INIZCTEOSA-N 1 0 350.463 2.076 50 0 FEAARO COCCOc1ccc(CNC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000670435481 571346560 /nfs/dbraw/zinc/34/65/60/571346560.db2.gz OFMBRBMEICAPGI-MRXNPFEDSA-N 1 0 361.486 2.480 50 0 FEAARO CCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(OC)c(C)cc2OC)C1 ZINC000670445128 571350469 /nfs/dbraw/zinc/35/04/69/571350469.db2.gz OFLYCUWUGSIYRG-AWEZNQCLSA-N 1 0 356.488 2.165 50 0 FEAARO Cc1cccc(C[NH2+]CCn2cc(C(=O)NCc3cccs3)nn2)c1 ZINC000014985064 670010351 /nfs/dbraw/zinc/01/03/51/670010351.db2.gz FPFMJWOINZVOGX-UHFFFAOYSA-N 1 0 355.467 2.368 50 0 FEAARO O=C(c1cccc(OC(F)(F)F)c1)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782141 672322151 /nfs/dbraw/zinc/32/21/51/672322151.db2.gz LNXCJPGHDMGKPE-ZDUSSCGKSA-N 1 0 358.360 2.019 50 0 FEAARO O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782137 672322183 /nfs/dbraw/zinc/32/21/83/672322183.db2.gz GTEQQVABBPTIHJ-ZDUSSCGKSA-N 1 0 358.360 2.019 50 0 FEAARO CS[C@@H]1CN(c2nn3cc(-c4cccnc4)nc3s2)C[C@@H]1[NH+](C)C ZINC000543903112 673677230 /nfs/dbraw/zinc/67/72/30/673677230.db2.gz NIUSDGOVJAIGIT-UONOGXRCSA-N 1 0 360.512 2.335 50 0 FEAARO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000548152773 673929258 /nfs/dbraw/zinc/92/92/58/673929258.db2.gz YHBUQKUCXQBYSP-UHFFFAOYSA-N 1 0 356.488 2.458 50 0 FEAARO COCc1csc(NC(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](OC)C2)n1 ZINC000626412193 676704836 /nfs/dbraw/zinc/70/48/36/676704836.db2.gz QAPDKSBCVNGTHY-MCIONIFRSA-N 1 0 354.476 2.053 50 0 FEAARO CCN(C[C@@H]1CC[N@H+](CC)C1)S(=O)(=O)c1cc(OC)c(C)cc1OC ZINC000952966632 681792542 /nfs/dbraw/zinc/79/25/42/681792542.db2.gz XKFACNOVMUICKZ-OAHLLOKOSA-N 1 0 370.515 2.365 50 0 FEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3OC)C2=O)cc1 ZINC000000920613 539335700 /nfs/dbraw/zinc/33/57/00/539335700.db2.gz FHSVPJIQYIJXIH-KRWDZBQOSA-N 1 0 354.406 2.168 50 0 FEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000001189061 539339970 /nfs/dbraw/zinc/33/99/70/539339970.db2.gz JGZSUYLYMSVNRA-LJQANCHMSA-N 1 0 352.434 2.198 50 0 FEAARO COC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000002225725 539345428 /nfs/dbraw/zinc/34/54/28/539345428.db2.gz WWRZFLCJRYBBGC-KRWDZBQOSA-N 1 0 370.380 2.077 50 0 FEAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2=O)cc1 ZINC000003618413 539372582 /nfs/dbraw/zinc/37/25/82/539372582.db2.gz CEVDMHRNDCXSHC-RBUKOAKNSA-N 1 0 368.433 2.431 50 0 FEAARO COc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000007109192 539447520 /nfs/dbraw/zinc/44/75/20/539447520.db2.gz HIYBXSUVXYIQAO-UHFFFAOYSA-N 1 0 361.467 2.248 50 0 FEAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009087314 539497670 /nfs/dbraw/zinc/49/76/70/539497670.db2.gz NSWSAHFNABCYGA-QRWLVFNGSA-N 1 0 370.453 2.067 50 0 FEAARO CCn1nc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2c1=O ZINC000009515699 539503688 /nfs/dbraw/zinc/50/36/88/539503688.db2.gz IHYLPRBEWMDRNG-SFHVURJKSA-N 1 0 364.449 2.449 50 0 FEAARO COc1cc(C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc(OC)c1OC ZINC000011846413 539537345 /nfs/dbraw/zinc/53/73/45/539537345.db2.gz UKGLXALVXQSFJP-HNNXBMFYSA-N 1 0 361.442 2.084 50 0 FEAARO C1CCC(Nc2nc3nonc3nc2N2CC[NH+](C3CCCC3)CC2)C1 ZINC000012385323 539557278 /nfs/dbraw/zinc/55/72/78/539557278.db2.gz AIIAXYLTFZRZSY-UHFFFAOYSA-N 1 0 357.462 2.432 50 0 FEAARO COc1cccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1 ZINC000012630169 539568868 /nfs/dbraw/zinc/56/88/68/539568868.db2.gz LEXSNYWOKNVSQO-KRWDZBQOSA-N 1 0 365.393 2.303 50 0 FEAARO COC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012702007 539569748 /nfs/dbraw/zinc/56/97/48/539569748.db2.gz GTHHGEXYNSHXPA-KRWDZBQOSA-N 1 0 364.461 2.492 50 0 FEAARO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000012989112 539581413 /nfs/dbraw/zinc/58/14/13/539581413.db2.gz YRYVNBWNEMTNEP-PXAZEXFGSA-N 1 0 373.840 2.270 50 0 FEAARO C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000013987618 539593495 /nfs/dbraw/zinc/59/34/95/539593495.db2.gz ZHDKMUXSZSGCKS-HYMPGDJLSA-N 1 0 363.502 2.280 50 0 FEAARO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)C2CCCCC2)c1C ZINC000014139840 539596830 /nfs/dbraw/zinc/59/68/30/539596830.db2.gz CGRWKFQKZXPVRQ-UHFFFAOYSA-N 1 0 353.488 2.154 50 0 FEAARO O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]C[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000014743471 539604914 /nfs/dbraw/zinc/60/49/14/539604914.db2.gz ATMYNWJZCLVSIN-DLBZAZTESA-N 1 0 369.440 2.349 50 0 FEAARO COC(=O)CNC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C)s1 ZINC000016397211 539632030 /nfs/dbraw/zinc/63/20/30/539632030.db2.gz ZKDPZFYKSIURIP-UHFFFAOYSA-N 1 0 360.479 2.390 50 0 FEAARO Cc1ncc2c(c1-c1noc(-c3cc(C(F)(F)F)[nH]n3)n1)CC[NH2+]C2 ZINC000019635566 539664506 /nfs/dbraw/zinc/66/45/06/539664506.db2.gz NATDJJQBUHOKLP-UHFFFAOYSA-N 1 0 350.304 2.495 50 0 FEAARO COc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019771095 539668918 /nfs/dbraw/zinc/66/89/18/539668918.db2.gz PUMDGMAGNLONJV-IBGZPJMESA-N 1 0 356.466 2.253 50 0 FEAARO CC(=O)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019850427 539670176 /nfs/dbraw/zinc/67/01/76/539670176.db2.gz CVPQMOQOJPZREW-KRWDZBQOSA-N 1 0 351.450 2.320 50 0 FEAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCN4CCOCC4)[C@H]3C=C12 ZINC000020113290 539672617 /nfs/dbraw/zinc/67/26/17/539672617.db2.gz UHKHUDBVTXBLLN-JFQNMGATSA-N 1 0 362.514 2.222 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535462 539684453 /nfs/dbraw/zinc/68/44/53/539684453.db2.gz WIARMNPPFSXBAM-UHFFFAOYSA-N 1 0 374.514 2.145 50 0 FEAARO COc1ccc([C@@H](C[NH2+]CC(=O)N2CCc3ccccc32)N(C)C)cc1 ZINC000022038340 539691231 /nfs/dbraw/zinc/69/12/31/539691231.db2.gz YSGAQWPOUMCEIO-HXUWFJFHSA-N 1 0 353.466 2.477 50 0 FEAARO COCCn1c(C)cc(O)c([C@@H](c2ccccn2)[NH+]2CCCCC2)c1=O ZINC000022697814 539697228 /nfs/dbraw/zinc/69/72/28/539697228.db2.gz VIXHQDBPGSWHRO-LJQANCHMSA-N 1 0 357.454 2.479 50 0 FEAARO O=C(CNC(=O)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611165 539697435 /nfs/dbraw/zinc/69/74/35/539697435.db2.gz ZVLLEWPEJVITSA-UHFFFAOYSA-N 1 0 369.440 2.290 50 0 FEAARO Cn1c(CO)nnc1C1CC[NH+](Cc2cncn2C2CCCCC2)CC1 ZINC000244899739 209911046 /nfs/dbraw/zinc/91/10/46/209911046.db2.gz ZPECEBBFABSPNM-UHFFFAOYSA-N 1 0 358.490 2.389 50 0 FEAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(C(C)=O)CC3)c(C)c2)CC1 ZINC000025187301 539750829 /nfs/dbraw/zinc/75/08/29/539750829.db2.gz IGKBFSGAZMALEO-UHFFFAOYSA-N 1 0 372.513 2.334 50 0 FEAARO COc1cc(C[NH2+]CCCn2ccnc2)ccc1OCC(=O)NC(C)(C)C ZINC000028426897 539832092 /nfs/dbraw/zinc/83/20/92/539832092.db2.gz BSEFGCDSFOZLTP-UHFFFAOYSA-N 1 0 374.485 2.365 50 0 FEAARO O=C(CNC(=O)c1ccccc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029840059 539865821 /nfs/dbraw/zinc/86/58/21/539865821.db2.gz WMJLRRNQMMKLQT-UHFFFAOYSA-N 1 0 369.440 2.120 50 0 FEAARO Cc1cccc(C(=O)NCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000029840049 539865865 /nfs/dbraw/zinc/86/58/65/539865865.db2.gz KOBBXXWQDDXLFB-UHFFFAOYSA-N 1 0 365.477 2.289 50 0 FEAARO Cc1ccccc1-n1cc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)cn1 ZINC000223390766 209757051 /nfs/dbraw/zinc/75/70/51/209757051.db2.gz YAFSLXSMCFVMKU-UHFFFAOYSA-N 1 0 363.469 2.394 50 0 FEAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000057815297 540816502 /nfs/dbraw/zinc/81/65/02/540816502.db2.gz KJAKVUVQAMEKCY-UHFFFAOYSA-N 1 0 368.437 2.087 50 0 FEAARO CCOC(=O)c1ccc(NC(=O)NC[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000057996651 540826382 /nfs/dbraw/zinc/82/63/82/540826382.db2.gz BVWCTVCHFHZOIA-HNNXBMFYSA-N 1 0 362.474 2.011 50 0 FEAARO CCn1cnnc1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058343896 540839899 /nfs/dbraw/zinc/83/98/99/540839899.db2.gz DVWKREAYVFZHPZ-KRWDZBQOSA-N 1 0 356.474 2.009 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1OC ZINC000058162650 540830522 /nfs/dbraw/zinc/83/05/22/540830522.db2.gz LYKWDUGOPWPVLO-KSSFIOAISA-N 1 0 370.515 2.493 50 0 FEAARO Cc1cccc2c1ncn(CCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c2=O ZINC000058175574 540831615 /nfs/dbraw/zinc/83/16/15/540831615.db2.gz RNLPFOQLBJHDDD-KRWDZBQOSA-N 1 0 370.497 2.332 50 0 FEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000237971860 209356311 /nfs/dbraw/zinc/35/63/11/209356311.db2.gz OKROYYBFRIWKLN-KRWDZBQOSA-N 1 0 358.463 2.224 50 0 FEAARO Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)nn1-c1ccccc1 ZINC000058203441 540833279 /nfs/dbraw/zinc/83/32/79/540833279.db2.gz IZOOCRSVNYRKSO-QGZVFWFLSA-N 1 0 368.481 2.391 50 0 FEAARO CC[N@H+](C)Cc1cccc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)c1 ZINC000058266150 540836602 /nfs/dbraw/zinc/83/66/02/540836602.db2.gz SHLQQVQRTKRTFS-UHFFFAOYSA-N 1 0 357.498 2.403 50 0 FEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000237272671 209341899 /nfs/dbraw/zinc/34/18/99/209341899.db2.gz FRODLMCGRSRSGW-OAHLLOKOSA-N 1 0 363.259 2.459 50 0 FEAARO CN1C(=O)CC[C@H](C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237061177 209329927 /nfs/dbraw/zinc/32/99/27/209329927.db2.gz GCHSXBUHPYRCRJ-IJEWVQPXSA-N 1 0 369.387 2.175 50 0 FEAARO CCN(CC)c1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)cc1 ZINC000106290113 209272576 /nfs/dbraw/zinc/27/25/76/209272576.db2.gz PGNXKSQPKIXDOW-UHFFFAOYSA-N 1 0 355.486 2.224 50 0 FEAARO CCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CCC(C)CC4)n3n2)CC1 ZINC000065311602 541233572 /nfs/dbraw/zinc/23/35/72/541233572.db2.gz SUMIWPVQAGAKQT-UHFFFAOYSA-N 1 0 371.533 2.197 50 0 FEAARO O=c1n(CCn2cccc2)nc(CC2CC[NH2+]CC2)n1-c1ccccc1 ZINC000065375633 541235049 /nfs/dbraw/zinc/23/50/49/541235049.db2.gz BNKXKITUMIPNNS-UHFFFAOYSA-N 1 0 351.454 2.078 50 0 FEAARO Cn1ncc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1C1CC1 ZINC000065373668 541235414 /nfs/dbraw/zinc/23/54/14/541235414.db2.gz BBMSCHYJBRZWBL-DLBZAZTESA-N 1 0 355.438 2.377 50 0 FEAARO Cc1nc(C(C)C)cc(N2CC[NH+](CC(C)(C)N3CCOCC3)CC2)n1 ZINC000065404087 541235837 /nfs/dbraw/zinc/23/58/37/541235837.db2.gz BWIAWEZNQUHUGQ-UHFFFAOYSA-N 1 0 361.534 2.141 50 0 FEAARO CCCCC(=O)Nc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000065398165 541236372 /nfs/dbraw/zinc/23/63/72/541236372.db2.gz HRWPEPUOJDLMHQ-ROUUACIJSA-N 1 0 359.470 2.096 50 0 FEAARO O=C(Nc1nccs1)c1ccc(CN2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000065408905 541236716 /nfs/dbraw/zinc/23/67/16/541236716.db2.gz ORALDKQMXOVVHI-IRXDYDNUSA-N 1 0 372.494 2.036 50 0 FEAARO Cc1cc(N2CCN(Cc3cc(F)ccc3-n3cccn3)CC2)nc(N)[nH+]1 ZINC000065494091 541241214 /nfs/dbraw/zinc/24/12/14/541241214.db2.gz YJVRLLVFMMMRSS-UHFFFAOYSA-N 1 0 367.432 2.014 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NC1(CN2CCOCC2)CCCCC1 ZINC000065506871 541241580 /nfs/dbraw/zinc/24/15/80/541241580.db2.gz HSJAIKKKHVHPQB-SFHVURJKSA-N 1 0 351.535 2.402 50 0 FEAARO COc1ccc(OC)c(NC(=O)CC[N@@H+]2CCCn3nc(C)cc3C2)c1 ZINC000065494984 541241740 /nfs/dbraw/zinc/24/17/40/541241740.db2.gz NTPIDBOXBNTESE-UHFFFAOYSA-N 1 0 358.442 2.443 50 0 FEAARO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000236891980 209256025 /nfs/dbraw/zinc/25/60/25/209256025.db2.gz HJBLZDWHFXBHKH-GOSISDBHSA-N 1 0 371.485 2.015 50 0 FEAARO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000066839487 541378695 /nfs/dbraw/zinc/37/86/95/541378695.db2.gz JVYZYZWSIOEDIK-MRXNPFEDSA-N 1 0 371.485 2.435 50 0 FEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]CCc3cscn3)C2=O)c1 ZINC000067694543 541500159 /nfs/dbraw/zinc/50/01/59/541500159.db2.gz FKVGLYUFZMZIIT-IBGZPJMESA-N 1 0 359.495 2.137 50 0 FEAARO O=C(NCCc1[nH]nc2c1CCCC2)C1CC[NH+](Cc2ccco2)CC1 ZINC000067722941 541504850 /nfs/dbraw/zinc/50/48/50/541504850.db2.gz KJLXXTNMTHFANS-UHFFFAOYSA-N 1 0 356.470 2.452 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)o3)CC2)C1 ZINC000067724350 541505071 /nfs/dbraw/zinc/50/50/71/541505071.db2.gz QUHXARORXUDEGF-QGZVFWFLSA-N 1 0 363.502 2.027 50 0 FEAARO CC(C)c1nccn1Cc1cc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)[nH]n1 ZINC000067725638 541505106 /nfs/dbraw/zinc/50/51/06/541505106.db2.gz RTRRHYGOPKTBLC-HNNXBMFYSA-N 1 0 370.501 2.477 50 0 FEAARO c1cncc(OCCCNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)c1 ZINC000067786817 541513666 /nfs/dbraw/zinc/51/36/66/541513666.db2.gz VVWYGGREVNIDAT-UHFFFAOYSA-N 1 0 362.437 2.460 50 0 FEAARO CN(CC[NH+]1CCCC1)C(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067758465 541509105 /nfs/dbraw/zinc/50/91/05/541509105.db2.gz QQOOLVQDUVOLIL-UHFFFAOYSA-N 1 0 368.481 2.401 50 0 FEAARO COc1cccc(-c2noc3c2C[N@H+](CCCn2nnnc2C)CC3)c1 ZINC000067872447 541523329 /nfs/dbraw/zinc/52/33/29/541523329.db2.gz YNDYXMZHLBVLKS-UHFFFAOYSA-N 1 0 354.414 2.094 50 0 FEAARO Cc1ccc([C@H](NC(=O)CN2CCC[N@@H+](C)CC2)c2ccncc2)cc1 ZINC000067885627 541525206 /nfs/dbraw/zinc/52/52/06/541525206.db2.gz ODTFZXOYHBQNDU-NRFANRHFSA-N 1 0 352.482 2.233 50 0 FEAARO Cc1ccc([C@@H](NC(=O)CN2CCC[N@@H+](C)CC2)c2ccncc2)cc1 ZINC000067885630 541525242 /nfs/dbraw/zinc/52/52/42/541525242.db2.gz ODTFZXOYHBQNDU-OAQYLSRUSA-N 1 0 352.482 2.233 50 0 FEAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000067895190 541526645 /nfs/dbraw/zinc/52/66/45/541526645.db2.gz SDVWAKLUWBTPDJ-GFCCVEGCSA-N 1 0 368.359 2.489 50 0 FEAARO CC[C@]1(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)NC(=O)NC1=O ZINC000067894493 541526499 /nfs/dbraw/zinc/52/64/99/541526499.db2.gz SVCPCSZMPBRTJW-HXUWFJFHSA-N 1 0 367.453 2.073 50 0 FEAARO CC[C@@]1(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)NC(=O)NC1=O ZINC000067894491 541526516 /nfs/dbraw/zinc/52/65/16/541526516.db2.gz SVCPCSZMPBRTJW-FQEVSTJZSA-N 1 0 367.453 2.073 50 0 FEAARO Cc1nnc2n1CC[N@@H+](Cc1cnc3c(-c4ccccc4)cnn3c1)CC2 ZINC000067954872 541532673 /nfs/dbraw/zinc/53/26/73/541532673.db2.gz JZOMNULBEVCYEW-UHFFFAOYSA-N 1 0 359.437 2.355 50 0 FEAARO COC(=O)c1ccc(N2C(=O)C[C@H]([N@H+]3C[C@@H]4CC=CC[C@@H]4C3)C2=O)cc1 ZINC000100225813 209212162 /nfs/dbraw/zinc/21/21/62/209212162.db2.gz FTJJJXLDIWIXET-UXLLHSPISA-N 1 0 354.406 2.003 50 0 FEAARO Cc1cc(F)ccc1NC(=O)C[NH2+][C@H](C)Cn1cnc2ccccc2c1=O ZINC000067966775 541533541 /nfs/dbraw/zinc/53/35/41/541533541.db2.gz RJEGCTNGKHRGRI-CQSZACIVSA-N 1 0 368.412 2.461 50 0 FEAARO O=C(NCCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2)c1ccncc1 ZINC000067967990 541534286 /nfs/dbraw/zinc/53/42/86/541534286.db2.gz MUALFRXIJVRKGZ-UHFFFAOYSA-N 1 0 374.448 2.026 50 0 FEAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccccc1OC ZINC000236771890 209199177 /nfs/dbraw/zinc/19/91/77/209199177.db2.gz YMCZRKMCSYFGSI-KNBMTAEXSA-N 1 0 373.497 2.335 50 0 FEAARO CCc1nc(C)c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2cccc3c[nH]nc32)[nH]1 ZINC000071498105 541767646 /nfs/dbraw/zinc/76/76/46/541767646.db2.gz XJXCZDUJIDJTOU-KBPBESRZSA-N 1 0 352.442 2.441 50 0 FEAARO O=C(c1ccco1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071745516 541769898 /nfs/dbraw/zinc/76/98/98/541769898.db2.gz GMFBEGMMMWBGHB-INIZCTEOSA-N 1 0 359.470 2.219 50 0 FEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000071749070 541770091 /nfs/dbraw/zinc/77/00/91/541770091.db2.gz ZOPBZKLGINSKSV-UHFFFAOYSA-N 1 0 366.469 2.232 50 0 FEAARO COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3C)CC2)C1 ZINC000071750435 541770650 /nfs/dbraw/zinc/77/06/50/541770650.db2.gz CRUQVLVJLKITCX-HXUWFJFHSA-N 1 0 373.541 2.434 50 0 FEAARO CC[C@@]1(O)CCC[N@H+](Cc2c(C(=O)N3CCCC3)nc3ccccn32)C1 ZINC000071752271 541770713 /nfs/dbraw/zinc/77/07/13/541770713.db2.gz MHNSNHSITWHZCH-HXUWFJFHSA-N 1 0 356.470 2.307 50 0 FEAARO C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2CN2CCCCC2)CC1 ZINC000071759696 541771491 /nfs/dbraw/zinc/77/14/91/541771491.db2.gz IPAUQAUNCPTJNS-UHFFFAOYSA-N 1 0 361.515 2.159 50 0 FEAARO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071776409 541771952 /nfs/dbraw/zinc/77/19/52/541771952.db2.gz YWZFPDFCHGWMTK-MRXNPFEDSA-N 1 0 359.470 2.009 50 0 FEAARO Cc1ccccc1CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000071764640 541772126 /nfs/dbraw/zinc/77/21/26/541772126.db2.gz DEAMFHFNVNICQK-FQEVSTJZSA-N 1 0 373.541 2.122 50 0 FEAARO O=C(CCc1ccc2c(c1)OCO2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000071872169 541774200 /nfs/dbraw/zinc/77/42/00/541774200.db2.gz LVXULMSTDAYLGB-UHFFFAOYSA-N 1 0 374.481 2.499 50 0 FEAARO CC(C)Cc1nc(CN(C)c2nc(-c3cccnc3)nc3c2C[NH2+]C3)no1 ZINC000072120960 541784563 /nfs/dbraw/zinc/78/45/63/541784563.db2.gz AONMKHDNYJIRCU-UHFFFAOYSA-N 1 0 365.441 2.360 50 0 FEAARO CCc1nccn1CC(=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072137224 541785769 /nfs/dbraw/zinc/78/57/69/541785769.db2.gz FHFMABPNBHIKQC-LJQANCHMSA-N 1 0 352.482 2.147 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)c3cc(N)n[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072143243 541787260 /nfs/dbraw/zinc/78/72/60/541787260.db2.gz JGKJLJUNHBGJDS-ATZDWAIDSA-N 1 0 351.454 2.003 50 0 FEAARO C[C@@H]1CN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)CC[NH2+]1 ZINC000072146273 541788345 /nfs/dbraw/zinc/78/83/45/541788345.db2.gz NOJIEAFZYPFNIX-MRXNPFEDSA-N 1 0 361.449 2.350 50 0 FEAARO CO[C@H]1[C@H](NC(=O)Cc2cccnc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072408657 541806345 /nfs/dbraw/zinc/80/63/45/541806345.db2.gz AMKDUYCWQBPFHK-UXHICEINSA-N 1 0 351.450 2.131 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000072409962 541806906 /nfs/dbraw/zinc/80/69/06/541806906.db2.gz ZVOUBDYQHNXYFD-IBGZPJMESA-N 1 0 372.444 2.048 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1Cn1cccn1 ZINC000072419659 541808191 /nfs/dbraw/zinc/80/81/91/541808191.db2.gz LWWNFAYTXDHTAF-HXUWFJFHSA-N 1 0 370.453 2.357 50 0 FEAARO CC(C)Cc1noc([C@@H](C)n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072423224 541809845 /nfs/dbraw/zinc/80/98/45/541809845.db2.gz AIBDIELBZFFKEX-CYBMUJFWSA-N 1 0 355.446 2.431 50 0 FEAARO C[C@@H](CNc1nc(CC2CC2)nc2c1CC[NH2+]CC2)Oc1cccnc1 ZINC000072424935 541810113 /nfs/dbraw/zinc/81/01/13/541810113.db2.gz RZJXTTRWAJVTCM-AWEZNQCLSA-N 1 0 353.470 2.392 50 0 FEAARO OCCNc1nc(NC2CC2)nc2c1CC[N@H+](Cc1ccsc1)CC2 ZINC000072436755 541814211 /nfs/dbraw/zinc/81/42/11/541814211.db2.gz XJYMCJXNASVYQM-UHFFFAOYSA-N 1 0 359.499 2.117 50 0 FEAARO COc1ccc(-c2cc(CNc3ncnc4c3CC[NH2+]CC4)no2)cc1 ZINC000072454506 541816913 /nfs/dbraw/zinc/81/69/13/541816913.db2.gz FBXFHBQICWMPRF-UHFFFAOYSA-N 1 0 351.410 2.441 50 0 FEAARO O[C@H]1CCC[N@@H+](C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000072467900 541817525 /nfs/dbraw/zinc/81/75/25/541817525.db2.gz MQSSVWNHUVMRAI-HNNXBMFYSA-N 1 0 354.397 2.429 50 0 FEAARO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n1 ZINC000072468140 541817749 /nfs/dbraw/zinc/81/77/49/541817749.db2.gz UXSHQIOFTKESNF-QGZVFWFLSA-N 1 0 354.502 2.494 50 0 FEAARO Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)n1 ZINC000072468137 541817872 /nfs/dbraw/zinc/81/78/72/541817872.db2.gz UXSHQIOFTKESNF-KRWDZBQOSA-N 1 0 354.502 2.494 50 0 FEAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(c3cccc(C(F)(F)F)n3)CC[C@H]21 ZINC000072469357 541819001 /nfs/dbraw/zinc/81/90/01/541819001.db2.gz OARHIDIGVRKARZ-QWHCGFSZSA-N 1 0 356.392 2.267 50 0 FEAARO COc1c[nH]c(C[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)cc1=O ZINC000072480529 541821561 /nfs/dbraw/zinc/82/15/61/541821561.db2.gz GHUQUJQEBXOQCX-UHFFFAOYSA-N 1 0 369.469 2.153 50 0 FEAARO O=C(CCCn1cncn1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072476198 541819725 /nfs/dbraw/zinc/81/97/25/541819725.db2.gz NIWPHNAZQJVGEF-UHFFFAOYSA-N 1 0 357.502 2.171 50 0 FEAARO C[N@@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000097098446 209170313 /nfs/dbraw/zinc/17/03/13/209170313.db2.gz OPQJIDHSSAMTDZ-KRWDZBQOSA-N 1 0 361.486 2.287 50 0 FEAARO COc1cc2c(cc1NC(=O)C(=O)NCC[NH+](C)C)oc1ccccc12 ZINC000013624147 220079615 /nfs/dbraw/zinc/07/96/15/220079615.db2.gz LBLZZTYIENWFPL-UHFFFAOYSA-N 1 0 355.394 2.211 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)CCc2ccncc2)C[N@@H+]1C1CCCCC1 ZINC000096130945 209116279 /nfs/dbraw/zinc/11/62/79/209116279.db2.gz TYWKJETVBKQARX-HKUYNNGSSA-N 1 0 372.513 2.042 50 0 FEAARO Cc1cccc(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1O ZINC000075572685 542189921 /nfs/dbraw/zinc/18/99/21/542189921.db2.gz PZGUPZSDOMGEPM-UHFFFAOYSA-N 1 0 353.466 2.378 50 0 FEAARO COc1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)c1OCCC[NH3+] ZINC000299781482 206647311 /nfs/dbraw/zinc/64/73/11/206647311.db2.gz RHUNXHOFNNPRPU-NRFANRHFSA-N 1 0 370.449 2.157 50 0 FEAARO COc1cccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)c1OCCC[NH3+] ZINC000299779990 206645710 /nfs/dbraw/zinc/64/57/10/206645710.db2.gz SJVZQNMYOJDZIM-OAHLLOKOSA-N 1 0 370.453 2.233 50 0 FEAARO CC1(C)CC(CCNC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1 ZINC000004035260 206999146 /nfs/dbraw/zinc/99/91/46/206999146.db2.gz NENRWIAZWPHEMH-UHFFFAOYSA-N 1 0 356.474 2.339 50 0 FEAARO CCOCCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000004552739 207027816 /nfs/dbraw/zinc/02/78/16/207027816.db2.gz GMTWUFQVWKQPMH-UHFFFAOYSA-N 1 0 364.486 2.459 50 0 FEAARO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000004699483 207038952 /nfs/dbraw/zinc/03/89/52/207038952.db2.gz AKFWKNKTXQSIDD-UHFFFAOYSA-N 1 0 365.474 2.271 50 0 FEAARO CCN1N=[N+](c2cccc(OC)c2)C(=O)C1C(=O)Nc1cccc(OC)c1 ZINC000005274776 207091400 /nfs/dbraw/zinc/09/14/00/207091400.db2.gz XGOLQTMEQWVYCC-UHFFFAOYSA-O 1 0 369.401 2.155 50 0 FEAARO O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)NCCCn1ccnc1 ZINC000006660524 207151877 /nfs/dbraw/zinc/15/18/77/207151877.db2.gz UAHLBWQMNABBMZ-PTNGSMBKSA-N 1 0 370.434 2.126 50 0 FEAARO COc1cc(CNCCC[NH+](C)C)ccc1OCC(=O)NC(C)(C)C ZINC000006882432 207175018 /nfs/dbraw/zinc/17/50/18/207175018.db2.gz VTCAHWITDKXDIC-UHFFFAOYSA-N 1 0 351.491 2.030 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000008263537 207225859 /nfs/dbraw/zinc/22/58/59/207225859.db2.gz QPVDJBPHHAXGSN-ZFWWWQNUSA-N 1 0 367.515 2.304 50 0 FEAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356191 207268377 /nfs/dbraw/zinc/26/83/77/207268377.db2.gz WHHLEAHHPFCONZ-CQSZACIVSA-N 1 0 369.425 2.324 50 0 FEAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000011698813 207319058 /nfs/dbraw/zinc/31/90/58/207319058.db2.gz REJOKDMUKVEQLC-OAHLLOKOSA-N 1 0 372.469 2.079 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000012030826 207334421 /nfs/dbraw/zinc/33/44/21/207334421.db2.gz XDXMXXZACXIWHE-GOSISDBHSA-N 1 0 359.470 2.041 50 0 FEAARO CCN(CC)C(=O)c1cn(C[C@@H]2CCC[N@H+](Cc3ccccn3)C2)nn1 ZINC000012217982 207348723 /nfs/dbraw/zinc/34/87/23/207348723.db2.gz GGIMDPBUYFCODC-MRXNPFEDSA-N 1 0 356.474 2.067 50 0 FEAARO CN(Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)Cc1cnccn1 ZINC000012431125 207374042 /nfs/dbraw/zinc/37/40/42/207374042.db2.gz RVHXDLDKRDCDFN-HXUWFJFHSA-N 1 0 370.497 2.334 50 0 FEAARO CCN(Cc1nccn1C)C(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)nc1 ZINC000012446356 207379676 /nfs/dbraw/zinc/37/96/76/207379676.db2.gz JAJBWFZGQQKUPM-KRWDZBQOSA-N 1 0 370.501 2.008 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1=O ZINC000033005250 208065337 /nfs/dbraw/zinc/06/53/37/208065337.db2.gz OYNSOCCTVLFPMO-HNNXBMFYSA-N 1 0 356.470 2.086 50 0 FEAARO Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCCC3)c2)s1 ZINC000033022607 208067058 /nfs/dbraw/zinc/06/70/58/208067058.db2.gz BAUGVLIQIJNMFA-UHFFFAOYSA-N 1 0 373.482 2.315 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)C1 ZINC000033315114 208085873 /nfs/dbraw/zinc/08/58/73/208085873.db2.gz RHYXTUBGCPPJLF-HNAYVOBHSA-N 1 0 370.497 2.459 50 0 FEAARO CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC000034685143 208104455 /nfs/dbraw/zinc/10/44/55/208104455.db2.gz MPNDOBQFHQYVSW-SFHVURJKSA-N 1 0 371.525 2.162 50 0 FEAARO O=C(c1ccc(OC(F)F)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000040118556 208229715 /nfs/dbraw/zinc/22/97/15/208229715.db2.gz FRONRTGDJFKAQI-UHFFFAOYSA-N 1 0 354.397 2.472 50 0 FEAARO C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3cccc(F)c3)n2)CC1 ZINC000040355205 208246721 /nfs/dbraw/zinc/24/67/21/208246721.db2.gz YNLZBVFVSUKAJR-UHFFFAOYSA-N 1 0 362.430 2.359 50 0 FEAARO O=C(c1ccc(Cl)c(Cl)c1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077320857 542366868 /nfs/dbraw/zinc/36/68/68/542366868.db2.gz NPZGNYZHEFKGNN-QGZVFWFLSA-N 1 0 373.280 2.293 50 0 FEAARO CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077319479 542367105 /nfs/dbraw/zinc/36/71/05/542367105.db2.gz UYKONTVGZIYICP-OAQYLSRUSA-N 1 0 357.498 2.022 50 0 FEAARO COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000045966829 208343777 /nfs/dbraw/zinc/34/37/77/208343777.db2.gz IHKDCILUCZEREO-UHFFFAOYSA-N 1 0 373.497 2.292 50 0 FEAARO CCOc1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000299739651 208327309 /nfs/dbraw/zinc/32/73/09/208327309.db2.gz QZASKRJWEXPEFB-MRXNPFEDSA-N 1 0 355.438 2.480 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1I)C1CC1 ZINC000047920985 208385874 /nfs/dbraw/zinc/38/58/74/208385874.db2.gz OETWQQAZFAOSLK-ZDUSSCGKSA-N 1 0 358.223 2.361 50 0 FEAARO O=C(CCC[N@H+]1CCC[C@]2(CCC(=O)N(CCO)C2)C1)c1ccccc1 ZINC000077518444 542391451 /nfs/dbraw/zinc/39/14/51/542391451.db2.gz UFKMWQSUFXZDQJ-NRFANRHFSA-N 1 0 358.482 2.346 50 0 FEAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CCc1nncn1C ZINC000077538625 542394430 /nfs/dbraw/zinc/39/44/30/542394430.db2.gz CBGOIMHVXHMRRQ-UHFFFAOYSA-N 1 0 355.486 2.118 50 0 FEAARO COc1ccc(Cl)cc1C(=O)NCCNc1nc(N(C)C)cc(C)[nH+]1 ZINC000065363786 208666932 /nfs/dbraw/zinc/66/69/32/208666932.db2.gz QIGHLTDOORKPAK-UHFFFAOYSA-N 1 0 363.849 2.355 50 0 FEAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1cccnc1N1CCCC1 ZINC000065478769 208683427 /nfs/dbraw/zinc/68/34/27/208683427.db2.gz CBXHQQSSJQLGMK-WMZOPIPTSA-N 1 0 373.501 2.304 50 0 FEAARO CN(C(=O)C(=O)NCCC[NH+]1CCCCCC1)c1ccc(F)c(F)c1 ZINC000065612319 208690770 /nfs/dbraw/zinc/69/07/70/208690770.db2.gz CYHPENMQWJTSPN-UHFFFAOYSA-N 1 0 353.413 2.310 50 0 FEAARO O=C(c1ccncc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071639608 208768044 /nfs/dbraw/zinc/76/80/44/208768044.db2.gz UFRXPVYVXHQHQA-SFHVURJKSA-N 1 0 370.497 2.021 50 0 FEAARO O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000072158141 208815787 /nfs/dbraw/zinc/81/57/87/208815787.db2.gz HXSHHDVCKHBICW-SFHVURJKSA-N 1 0 369.509 2.456 50 0 FEAARO C[NH+](C)CCN1C[C@@H](C(=O)NC2c3ccccc3-c3ccccc32)CC1=O ZINC000091255201 208972643 /nfs/dbraw/zinc/97/26/43/208972643.db2.gz JZTZPKIZMLLQFU-HNNXBMFYSA-N 1 0 363.461 2.283 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)c1ccccc1[C@H]1CC[NH2+]C1)CC2 ZINC000091644946 208986768 /nfs/dbraw/zinc/98/67/68/208986768.db2.gz MGRUTRBRVVCQJV-INIZCTEOSA-N 1 0 355.482 2.238 50 0 FEAARO Cc1nc(-c2ncc(C(=O)NCC[NH+](C(C)C)C(C)C)c(=O)[nH]2)cs1 ZINC000091872013 209002538 /nfs/dbraw/zinc/00/25/38/209002538.db2.gz BCUSOCMRCJCYNK-UHFFFAOYSA-N 1 0 363.487 2.463 50 0 FEAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1C[C@@H](CO)C[C@H](C[NH+](C)C)C1 ZINC000091894573 209004024 /nfs/dbraw/zinc/00/40/24/209004024.db2.gz RSFQOHDLJRHRIJ-SJORKVTESA-N 1 0 357.498 2.427 50 0 FEAARO O=C1CC2(CN1C/C=C/c1ccccc1)CC[NH+](CCOCCO)CC2 ZINC000091997271 209008589 /nfs/dbraw/zinc/00/85/89/209008589.db2.gz PBVHCPZFBKTNGL-QPJJXVBHSA-N 1 0 358.482 2.023 50 0 FEAARO Cn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000092020824 209010357 /nfs/dbraw/zinc/01/03/57/209010357.db2.gz AISZUJUXSTULKL-UHFFFAOYSA-N 1 0 352.442 2.145 50 0 FEAARO O=C(c1cnc(-c2ccccn2)nc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000092004417 209011549 /nfs/dbraw/zinc/01/15/49/209011549.db2.gz GCYJQHQLJFJWSM-SJLPKXTDSA-N 1 0 363.465 2.485 50 0 FEAARO C[NH+]1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4ccccn4)C3)n2)CC1 ZINC000092028609 209012432 /nfs/dbraw/zinc/01/24/32/209012432.db2.gz COYLFUNRKLULBI-INIZCTEOSA-N 1 0 369.469 2.255 50 0 FEAARO COc1coc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1=O ZINC000095360379 209027674 /nfs/dbraw/zinc/02/76/74/209027674.db2.gz BCCKVBYLGBEKFX-DOTOQJQBSA-N 1 0 355.438 2.140 50 0 FEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC(O)(c2cccnc2)CC1 ZINC000095363115 209029420 /nfs/dbraw/zinc/02/94/20/209029420.db2.gz HODXTHKKDMYLMD-UHFFFAOYSA-N 1 0 369.465 2.397 50 0 FEAARO C[NH2+][C@@H](C)C(=O)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095361720 209029600 /nfs/dbraw/zinc/02/96/00/209029600.db2.gz YFIAEQARLKIYNA-NADMHLTPSA-N 1 0 355.482 2.149 50 0 FEAARO C[C@H](CO)C[NH+]1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000092045969 209014377 /nfs/dbraw/zinc/01/43/77/209014377.db2.gz RZSZYPLEEXSZIO-AWEZNQCLSA-N 1 0 352.425 2.408 50 0 FEAARO O=C(NC[C@H](O)COc1ccccc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095385419 209044541 /nfs/dbraw/zinc/04/45/41/209044541.db2.gz JXLWIQDXMFAKPR-KRWDZBQOSA-N 1 0 358.438 2.048 50 0 FEAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)C1CCN(C(=O)C2CCCC2)CC1 ZINC000095387404 209045042 /nfs/dbraw/zinc/04/50/42/209045042.db2.gz HMXUHWLAJYAKIE-OALUTQOASA-N 1 0 355.482 2.156 50 0 FEAARO COCCN(Cc1cnn(C)c1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095388672 209045950 /nfs/dbraw/zinc/04/59/50/209045950.db2.gz PTLMMJDZISYIMS-IBGZPJMESA-N 1 0 356.470 2.176 50 0 FEAARO Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095364381 209031667 /nfs/dbraw/zinc/03/16/67/209031667.db2.gz YMNPHCILGJNKDW-INIZCTEOSA-N 1 0 370.501 2.373 50 0 FEAARO CC[N@H+](C)C1(CNC(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CCCCC1 ZINC000095368259 209033151 /nfs/dbraw/zinc/03/31/51/209033151.db2.gz UYXPPBOGGDSDIA-GOSISDBHSA-N 1 0 372.513 2.201 50 0 FEAARO Cc1ncsc1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095369789 209033331 /nfs/dbraw/zinc/03/33/31/209033331.db2.gz CIRPHQMWNHXLOX-DOTOQJQBSA-N 1 0 363.527 2.486 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000095377772 209037942 /nfs/dbraw/zinc/03/79/42/209037942.db2.gz OLBGDJVWYILWSX-IBGZPJMESA-N 1 0 359.514 2.474 50 0 FEAARO CCn1ncc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)c1C ZINC000095379538 209040058 /nfs/dbraw/zinc/04/00/58/209040058.db2.gz DTIBVXLOBVNLCY-UHFFFAOYSA-N 1 0 372.517 2.379 50 0 FEAARO CC(=O)NCc1nc(Cc2cccc(Cl)c2)nn1C1CC[NH+](C)CC1 ZINC000095382252 209040416 /nfs/dbraw/zinc/04/04/16/209040416.db2.gz OSEHQXZLGVYXAE-UHFFFAOYSA-N 1 0 361.877 2.425 50 0 FEAARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCN1CCCC1=O)CC2 ZINC000095384164 209042153 /nfs/dbraw/zinc/04/21/53/209042153.db2.gz KNCOQFFXSJXALW-GOSISDBHSA-N 1 0 355.482 2.089 50 0 FEAARO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000095408054 209048965 /nfs/dbraw/zinc/04/89/65/209048965.db2.gz QECIBAMOIHSKIB-GJZGRUSLSA-N 1 0 367.440 2.464 50 0 FEAARO NC(=O)Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095500565 209061879 /nfs/dbraw/zinc/06/18/79/209061879.db2.gz HOMABUCWKUBOAR-AWEZNQCLSA-N 1 0 364.396 2.349 50 0 FEAARO O=C(c1noc(-c2cccc(F)c2)n1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000078903159 542486464 /nfs/dbraw/zinc/48/64/64/542486464.db2.gz AWAIGOLXGWTPDJ-UHFFFAOYSA-N 1 0 374.416 2.060 50 0 FEAARO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(-n2cnnn2)c1C ZINC000079193957 542505623 /nfs/dbraw/zinc/50/56/23/542505623.db2.gz UEDDFTISKWITJA-FUHWJXTLSA-N 1 0 368.485 2.273 50 0 FEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000095516812 209070627 /nfs/dbraw/zinc/07/06/27/209070627.db2.gz XUDQYSNOEXQALZ-GOSISDBHSA-N 1 0 357.458 2.447 50 0 FEAARO O=C([O-])[C@H]1CC2(C[NH2+]1)CC[NH+](Cc1cnc(-c3cccs3)nc1)CC2 ZINC000082121912 542685498 /nfs/dbraw/zinc/68/54/98/542685498.db2.gz HSOHPNYLKPOPAI-CQSZACIVSA-N 1 0 358.467 2.234 50 0 FEAARO COc1ccccc1N1CCN(C(=O)C2([NH+]3CCCC3)CCCC2)CC1=O ZINC000082107146 132195017 /nfs/dbraw/zinc/19/50/17/132195017.db2.gz MWBRFYLNGJCPET-UHFFFAOYSA-N 1 0 371.481 2.279 50 0 FEAARO Cc1ccc(C(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1C ZINC000082230576 132198120 /nfs/dbraw/zinc/19/81/20/132198120.db2.gz AOEOENSWFITFIS-UHFFFAOYSA-N 1 0 353.470 2.430 50 0 FEAARO Cc1ccc(N2CCC([N@@H+]3CC[C@@]4(C3)CCCN(CCO)C4=O)CC2)cc1 ZINC000091594818 132202508 /nfs/dbraw/zinc/20/25/08/132202508.db2.gz BSIKBTZIGMJQNW-JOCHJYFZSA-N 1 0 371.525 2.271 50 0 FEAARO Cc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)nc(N)[nH+]1 ZINC000091707509 132203401 /nfs/dbraw/zinc/20/34/01/132203401.db2.gz WWJUUZDHDOFTQX-UHFFFAOYSA-N 1 0 355.471 2.453 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN(c2ncccn2)C1 ZINC000096115638 132219461 /nfs/dbraw/zinc/21/94/61/132219461.db2.gz TZKYNUNTCGQBNH-OKZBNKHCSA-N 1 0 357.502 2.074 50 0 FEAARO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000001015817 132252472 /nfs/dbraw/zinc/25/24/72/132252472.db2.gz FACJHMYFSONKTJ-SFHVURJKSA-N 1 0 361.873 2.435 50 0 FEAARO O=C(NC[C@@H]1CCCN(c2ncccn2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000215259142 132269974 /nfs/dbraw/zinc/26/99/74/132269974.db2.gz CFPAYXICYFAXJP-KRWDZBQOSA-N 1 0 357.502 2.218 50 0 FEAARO CCCc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)nc(C)n1 ZINC000230181280 132289005 /nfs/dbraw/zinc/28/90/05/132289005.db2.gz PXXQBGDZTDSSTP-HXUWFJFHSA-N 1 0 359.518 2.261 50 0 FEAARO CNc1nc([C@@H]2CCOC2)cc(N2CCN(c3cc[nH+]cc3C)CC2)n1 ZINC000299773922 132298960 /nfs/dbraw/zinc/29/89/60/132298960.db2.gz GVWJKZJCUWDGKY-OAHLLOKOSA-N 1 0 354.458 2.052 50 0 FEAARO COc1ccccc1N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000019732053 132373877 /nfs/dbraw/zinc/37/38/77/132373877.db2.gz XFCBVPQSWQTQDQ-IBGZPJMESA-N 1 0 356.466 2.395 50 0 FEAARO CC[NH+](CC)CCCNC(=O)CCC(=O)N1CCOc2ccc(C)cc21 ZINC000005135707 132826872 /nfs/dbraw/zinc/82/68/72/132826872.db2.gz OLBPNYAMHWQZAD-UHFFFAOYSA-N 1 0 361.486 2.349 50 0 FEAARO Cc1ccc2c(c1)N(CCCC(=O)NCCC[NH+]1CCCCC1)C(=O)CO2 ZINC000006751247 132834564 /nfs/dbraw/zinc/83/45/64/132834564.db2.gz OBFJBUOHDIINBA-UHFFFAOYSA-N 1 0 373.497 2.493 50 0 FEAARO O=C(CCC(=O)N1CCOc2ccccc21)NCCC[NH+]1CCCCC1 ZINC000006798507 132836015 /nfs/dbraw/zinc/83/60/15/132836015.db2.gz QKSGJYZDPWXIEG-UHFFFAOYSA-N 1 0 359.470 2.184 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c(C)n1C ZINC000091365031 542805217 /nfs/dbraw/zinc/80/52/17/542805217.db2.gz QVJSJRLBJSRNTK-UHFFFAOYSA-N 1 0 374.529 2.048 50 0 FEAARO C[NH+](C)[C@@H]1CCN(Cc2ncnn2-c2ccc(OC(F)(F)F)cc2)C1 ZINC000091440746 542807691 /nfs/dbraw/zinc/80/76/91/542807691.db2.gz BXUAKNIQQZVBAG-CYBMUJFWSA-N 1 0 355.364 2.302 50 0 FEAARO CC(C)CCN1C[C@]2(CCC[N@H+](CCN3CCOCC3)C2)CCC1=O ZINC000091459220 542808690 /nfs/dbraw/zinc/80/86/90/542808690.db2.gz JRZGHEQSKVOEGI-HXUWFJFHSA-N 1 0 351.535 2.069 50 0 FEAARO COc1cccc2ccc(CN3CC[N@H+](C)[C@]4(C3)CCNC(=O)CC4)nc21 ZINC000091270109 542803239 /nfs/dbraw/zinc/80/32/39/542803239.db2.gz HWDPUOUOHUJYNT-NRFANRHFSA-N 1 0 368.481 2.030 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1COc2ccccc2C1 ZINC000091320263 542804437 /nfs/dbraw/zinc/80/44/37/542804437.db2.gz JUCPMLGGMNCYAH-SFHVURJKSA-N 1 0 351.450 2.414 50 0 FEAARO Cc1cn2c(nc(C[N@H+]3CC[C@]4(C3)CCCN(C(C)C)C4=O)cc2=O)s1 ZINC000091325550 542804621 /nfs/dbraw/zinc/80/46/21/542804621.db2.gz XYCQARFHWJVXIE-IBGZPJMESA-N 1 0 374.510 2.287 50 0 FEAARO Cc1ccc([C@H]2CN(S(=O)(=O)N3CCCCCC3)C[C@@H]2[NH+](C)C)o1 ZINC000091547918 542812743 /nfs/dbraw/zinc/81/27/43/542812743.db2.gz AGVFAWVEULYONP-HOTGVXAUSA-N 1 0 355.504 2.038 50 0 FEAARO Cn1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n1 ZINC000091586165 542814125 /nfs/dbraw/zinc/81/41/25/542814125.db2.gz PVZDYEGWOURIED-MAUKXSAKSA-N 1 0 350.466 2.124 50 0 FEAARO Cc1cc(C[NH+]2CCC(c3nnc(Cn4ccnc4C)n3C)CC2)on1 ZINC000091769402 542824747 /nfs/dbraw/zinc/82/47/47/542824747.db2.gz MKOPMGUBUHLWML-UHFFFAOYSA-N 1 0 355.446 2.044 50 0 FEAARO CC(C)c1ncc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)cn1 ZINC000091738584 542822760 /nfs/dbraw/zinc/82/27/60/542822760.db2.gz OISYWAUFGURXFX-UHFFFAOYSA-N 1 0 360.502 2.187 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cn(C)nc1C)CC2 ZINC000091770521 542824979 /nfs/dbraw/zinc/82/49/79/542824979.db2.gz WBTSGZBGALSBPU-UHFFFAOYSA-N 1 0 370.501 2.241 50 0 FEAARO Cc1cnn(CCC[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000091830770 542827624 /nfs/dbraw/zinc/82/76/24/542827624.db2.gz JUDBKZZRHVAIQB-QZTJIDSGSA-N 1 0 353.470 2.213 50 0 FEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000091817998 542827079 /nfs/dbraw/zinc/82/70/79/542827079.db2.gz YZNHVNDAUBUYEX-KBXCAEBGSA-N 1 0 358.438 2.086 50 0 FEAARO O=C(N[C@@H]1C[NH2+]CC[C@H]1O)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000092098485 542845726 /nfs/dbraw/zinc/84/57/26/542845726.db2.gz HKQHLJWOMNREPS-DGCLKSJQSA-N 1 0 371.384 2.282 50 0 FEAARO C[NH+](C)Cc1ccc(-c2nc(Cn3cncn3)nn2Cc2ccccc2)o1 ZINC000092099841 542845868 /nfs/dbraw/zinc/84/58/68/542845868.db2.gz HXTGWWQJXYMLFH-UHFFFAOYSA-N 1 0 363.425 2.288 50 0 FEAARO Oc1ccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000052798420 136124563 /nfs/dbraw/zinc/12/45/63/136124563.db2.gz RJFBFEGSLDTVCX-GOSISDBHSA-N 1 0 356.422 2.019 50 0 FEAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799715 136133873 /nfs/dbraw/zinc/13/38/73/136133873.db2.gz JRQXONRMBNRYMH-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO CC[NH+]1CCN(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)CC1 ZINC000064838013 136133950 /nfs/dbraw/zinc/13/39/50/136133950.db2.gz QBFYWVPLCVAIEZ-UHFFFAOYSA-N 1 0 366.425 2.344 50 0 FEAARO C[C@]1(CO)CCCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)C1 ZINC000072426844 136146616 /nfs/dbraw/zinc/14/66/16/136146616.db2.gz GPYLOKGVRCXIRV-NRFANRHFSA-N 1 0 352.482 2.431 50 0 FEAARO Cc1nc2c(c(N3CCC[C@@H](OCc4ccccn4)C3)n1)CC[NH2+]CC2 ZINC000072432025 136146917 /nfs/dbraw/zinc/14/69/17/136146917.db2.gz AYESHKSXEDBRGQ-QGZVFWFLSA-N 1 0 353.470 2.054 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3nccc(C)n3)C[C@H]2CCO)c(C)c1C ZINC000072448130 136148286 /nfs/dbraw/zinc/14/82/86/136148286.db2.gz VKRDICBJFZKGRZ-LJQANCHMSA-N 1 0 370.497 2.484 50 0 FEAARO O=C1OCCCN1CC[NH2+]C1CCN(c2cccc(-n3cccn3)c2)CC1 ZINC000023506630 136153093 /nfs/dbraw/zinc/15/30/93/136153093.db2.gz YWQUXUADXUGGNJ-UHFFFAOYSA-N 1 0 369.469 2.273 50 0 FEAARO Cc1c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)sc2[nH]cnc(=O)c12 ZINC000095530686 209079700 /nfs/dbraw/zinc/07/97/00/209079700.db2.gz KIBOUGKBKODWFI-ZIAGYGMSSA-N 1 0 372.494 2.239 50 0 FEAARO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000155186719 544999937 /nfs/dbraw/zinc/99/99/37/544999937.db2.gz OHKGZIGURWMUNU-GFCCVEGCSA-N 1 0 355.467 2.289 50 0 FEAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)n1 ZINC000011818598 263368302 /nfs/dbraw/zinc/36/83/02/263368302.db2.gz BKXSVCRFLJUBLV-FQEVSTJZSA-N 1 0 357.429 2.172 50 0 FEAARO CCN(Cc1nc(COC)no1)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426423432 263586232 /nfs/dbraw/zinc/58/62/32/263586232.db2.gz NFBYPUNLYBWXOK-UHFFFAOYSA-N 1 0 367.409 2.353 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1csc(N2CCCC2)n1 ZINC000426432050 263589848 /nfs/dbraw/zinc/58/98/48/263589848.db2.gz SHFQPFNHACWWEC-UHFFFAOYSA-N 1 0 364.446 2.150 50 0 FEAARO COc1c(F)c(F)c(CSc2nnc(CC[NH3+])n2C)c(F)c1F ZINC000426719914 263663829 /nfs/dbraw/zinc/66/38/29/263663829.db2.gz MHPJYMHKFJARHW-UHFFFAOYSA-N 1 0 350.341 2.174 50 0 FEAARO O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCN(c2ncccn2)CC1 ZINC000152516918 326709529 /nfs/dbraw/zinc/70/95/29/326709529.db2.gz BKZKXLVPQZZBMH-OAHLLOKOSA-N 1 0 366.387 2.221 50 0 FEAARO O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CCCC[C@@H]1c1ncon1 ZINC000175220618 327380851 /nfs/dbraw/zinc/38/08/51/327380851.db2.gz CNPCRTGOZIMYKB-QZTJIDSGSA-N 1 0 370.453 2.414 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(O)cc3)C[C@@H]2CCO)CC1 ZINC000020537963 519670255 /nfs/dbraw/zinc/67/02/55/519670255.db2.gz PGTCHVIKPJBJMY-FQEVSTJZSA-N 1 0 361.530 2.134 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)Cc3ccccc3O)cc2C1 ZINC000082121990 519723166 /nfs/dbraw/zinc/72/31/66/519723166.db2.gz OVZUTENYNDGNTK-UHFFFAOYSA-N 1 0 356.470 2.309 50 0 FEAARO CCC[NH+]1CCN(C(=O)CN2c3cc(C)ccc3O[C@H](CC)C2=O)CC1 ZINC000020687299 519855920 /nfs/dbraw/zinc/85/59/20/519855920.db2.gz KYGQDADXQYTHBN-QGZVFWFLSA-N 1 0 359.470 2.053 50 0 FEAARO CC[N@H+](C)[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091603187 520274715 /nfs/dbraw/zinc/27/47/15/520274715.db2.gz DNZXKSLGXXYUQF-QGZVFWFLSA-N 1 0 372.513 2.153 50 0 FEAARO CCn1ccnc1[C@H]1CCCN(C(=O)CSCC[NH+]2CCCC2)C1 ZINC000091625257 523560763 /nfs/dbraw/zinc/56/07/63/523560763.db2.gz VRQOFXDNUQHZCL-INIZCTEOSA-N 1 0 350.532 2.438 50 0 FEAARO CC[C@]1(CO)CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000091621384 523611925 /nfs/dbraw/zinc/61/19/25/523611925.db2.gz KSRUJQNORHDQQE-NRFANRHFSA-N 1 0 359.514 2.059 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)N3CCC4(CCO4)CC3)CC2)c1 ZINC000091504455 524553784 /nfs/dbraw/zinc/55/37/84/524553784.db2.gz YRVNOCYGWTXPFN-UHFFFAOYSA-N 1 0 357.498 2.289 50 0 FEAARO Cc1cccc(N2C[C@H](C(=O)N3CCC(OCCC[NH3+])CC3)CC2=O)c1C ZINC000269187694 524567116 /nfs/dbraw/zinc/56/71/16/524567116.db2.gz GTEJLVDCZMANSX-QGZVFWFLSA-N 1 0 373.497 2.013 50 0 FEAARO C[C@@H]1CN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000153865793 524888648 /nfs/dbraw/zinc/88/86/48/524888648.db2.gz FKJCBHFRYNNVLU-ZIAGYGMSSA-N 1 0 362.451 2.076 50 0 FEAARO Cc1ccccc1N1CCCN(C(=O)CC[N@@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC000091548262 525222076 /nfs/dbraw/zinc/22/20/76/525222076.db2.gz VAUOZIREAQHIGJ-LJQANCHMSA-N 1 0 358.530 2.060 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nnn1-c1ccc(F)c(Cl)c1 ZINC000154109188 525596144 /nfs/dbraw/zinc/59/61/44/525596144.db2.gz VBKDOFCIPIMBRQ-NXEZZACHSA-N 1 0 351.813 2.191 50 0 FEAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1ccnc1C)C2 ZINC000091476781 526506591 /nfs/dbraw/zinc/50/65/91/526506591.db2.gz BJMIOIGZWKKIFM-ZWKOTPCHSA-N 1 0 371.485 2.309 50 0 FEAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](Cn3cc(C(C)(C)O)nn3)C2)nc1C ZINC000020271580 526715755 /nfs/dbraw/zinc/71/57/55/526715755.db2.gz DAYLUKUHUADBCC-INIZCTEOSA-N 1 0 358.490 2.133 50 0 FEAARO O=C1C[C@@]2(CC[N@H+](Cc3cnc(SCc4ccccc4)nc3)C2)C(=O)N1 ZINC000082139260 527026086 /nfs/dbraw/zinc/02/60/86/527026086.db2.gz LURSJAPYQSIAMH-LJQANCHMSA-N 1 0 368.462 2.008 50 0 FEAARO OCCN1CC[NH+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000020102987 527553084 /nfs/dbraw/zinc/55/30/84/527553084.db2.gz PBOUMBXEJIIGFC-UHFFFAOYSA-N 1 0 371.447 2.280 50 0 FEAARO OCc1cn(C[C@@H]2CCC[N@H+](Cc3ccc4cccc(F)c4n3)C2)nn1 ZINC000020995730 527639698 /nfs/dbraw/zinc/63/96/98/527639698.db2.gz NYWFNJGSMZQHRP-CQSZACIVSA-N 1 0 355.417 2.370 50 0 FEAARO O=C(NCCSc1ccccc1)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000215234256 548669501 /nfs/dbraw/zinc/66/95/01/548669501.db2.gz GDCFGDWWIPXKST-OAHLLOKOSA-N 1 0 359.499 2.332 50 0 FEAARO COc1cc2c(cc1CN1CC[NH+](C3CCOCC3)CC1)OCCCO2 ZINC000215684952 548673217 /nfs/dbraw/zinc/67/32/17/548673217.db2.gz CIWZUDZWZYMAAJ-UHFFFAOYSA-N 1 0 362.470 2.153 50 0 FEAARO COc1cccc2c1OCCCN(C(=O)CN(C)Cc1ccncc1)C2 ZINC000215884470 548674355 /nfs/dbraw/zinc/67/43/55/548674355.db2.gz XQFRAZCBGRTWGD-UHFFFAOYSA-N 1 0 355.438 2.333 50 0 FEAARO c1cnn(C[C@@H]2C[N@H+](Cc3cnc(-c4ccccn4)nc3)CCCO2)c1 ZINC000216110591 548675427 /nfs/dbraw/zinc/67/54/27/548675427.db2.gz MTBQGQNPFSOFTF-KRWDZBQOSA-N 1 0 350.426 2.026 50 0 FEAARO Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000216288010 548678023 /nfs/dbraw/zinc/67/80/23/548678023.db2.gz ARPSCHRBIJZYFT-IBGZPJMESA-N 1 0 368.481 2.312 50 0 FEAARO C[C@@H](CCC(=O)N1CCC(OCc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000219283529 548693971 /nfs/dbraw/zinc/69/39/71/548693971.db2.gz BIGXSPAFZQBLGL-KRWDZBQOSA-N 1 0 361.486 2.090 50 0 FEAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000225529680 548737901 /nfs/dbraw/zinc/73/79/01/548737901.db2.gz APKYRFYTMVMISX-HONMWMINSA-N 1 0 368.275 2.280 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000227922969 548752936 /nfs/dbraw/zinc/75/29/36/548752936.db2.gz QWGFLCBRZTUHGY-JTQLQIEISA-N 1 0 365.268 2.208 50 0 FEAARO Cc1nc(CCNC(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)nc2c1CCC2 ZINC000230494068 548760190 /nfs/dbraw/zinc/76/01/90/548760190.db2.gz BSHBXOUUDVMXIU-SFHVURJKSA-N 1 0 364.493 2.422 50 0 FEAARO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000244594318 548891046 /nfs/dbraw/zinc/89/10/46/548891046.db2.gz DKVUGQIDGVJUSV-OAQYLSRUSA-N 1 0 373.497 2.021 50 0 FEAARO CCn1c(CN(C)Cc2nc3cc(F)ccc3[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244659516 548891846 /nfs/dbraw/zinc/89/18/46/548891846.db2.gz HEBKDNKZVHOPSY-BJHJDKERSA-N 1 0 357.437 2.150 50 0 FEAARO CC(=O)Nc1ccc(CNC(=O)CN(C)C[C@@H]2Cc3ccccc3O2)cc1 ZINC000244794703 548895032 /nfs/dbraw/zinc/89/50/32/548895032.db2.gz QRXUFDGXGVSUKG-IBGZPJMESA-N 1 0 367.449 2.197 50 0 FEAARO O=S(=O)(c1ccccc1)N(C1CC1)C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000244795123 548896434 /nfs/dbraw/zinc/89/64/34/548896434.db2.gz QZXXSHILZWZMAT-UHFFFAOYSA-N 1 0 374.510 2.270 50 0 FEAARO C[C@H](C(=O)Nc1nncs1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000244873189 548897855 /nfs/dbraw/zinc/89/78/55/548897855.db2.gz WLKANNYOIDZHAZ-CQSZACIVSA-N 1 0 371.510 2.040 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000245329488 548901764 /nfs/dbraw/zinc/90/17/64/548901764.db2.gz ZOXZTVVYASKWLB-XLYFHNJPSA-N 1 0 369.465 2.170 50 0 FEAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3C(=O)NCC[C@@H]3C)cc2)C1 ZINC000249554373 549604139 /nfs/dbraw/zinc/60/41/39/549604139.db2.gz LPNMDWJLJJQHOW-GJYPPUQNSA-N 1 0 372.513 2.242 50 0 FEAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21 ZINC000249683468 549614861 /nfs/dbraw/zinc/61/48/61/549614861.db2.gz CULLEXIHVXOBOC-INIZCTEOSA-N 1 0 356.470 2.127 50 0 FEAARO CCOc1ccc(Cl)cc1CN(C)C(=O)C[C@H]1CN(C)CC[N@@H+]1C ZINC000252490439 549668990 /nfs/dbraw/zinc/66/89/90/549668990.db2.gz KTLGWFDEGXDZFR-INIZCTEOSA-N 1 0 353.894 2.333 50 0 FEAARO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000253429369 549688779 /nfs/dbraw/zinc/68/87/79/549688779.db2.gz NAIMXVIHPYYDJK-SOLBZPMBSA-N 1 0 353.434 2.415 50 0 FEAARO Cc1ccc(C(=O)N2CCc3nnc([C@H]4CC[N@@H+](C(C)C)C4)n3CC2)cc1 ZINC000257181848 549712556 /nfs/dbraw/zinc/71/25/56/549712556.db2.gz FYWRWDODLWUMCO-SFHVURJKSA-N 1 0 367.497 2.483 50 0 FEAARO O=C(C1CCC1)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000257180239 549712928 /nfs/dbraw/zinc/71/29/28/549712928.db2.gz KJGNWOJPMOMZGK-IBGZPJMESA-N 1 0 362.514 2.438 50 0 FEAARO CC(=O)N1CC[C@H]2C[N@H+](CCc3ccccc3)C[C@@]2(c2nc(C)no2)C1 ZINC000257193760 549715452 /nfs/dbraw/zinc/71/54/52/549715452.db2.gz ZMRZKBXXYJBEQF-AZUAARDMSA-N 1 0 354.454 2.043 50 0 FEAARO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000271784769 550402033 /nfs/dbraw/zinc/40/20/33/550402033.db2.gz MEQOEPILPLOQFS-OAHLLOKOSA-N 1 0 373.419 2.258 50 0 FEAARO COc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000281948806 551161227 /nfs/dbraw/zinc/16/12/27/551161227.db2.gz LXCXAAIXBGAXHW-WMZOPIPTSA-N 1 0 373.478 2.395 50 0 FEAARO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000286978997 551947469 /nfs/dbraw/zinc/94/74/69/551947469.db2.gz FPIWYKJYXARVBS-AAEUAGOBSA-N 1 0 358.364 2.427 50 0 FEAARO CNC(=O)c1ccc(NC(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)c(C)c1 ZINC000299771247 553612300 /nfs/dbraw/zinc/61/23/00/553612300.db2.gz UUPFUWADBPEDJV-KRWDZBQOSA-N 1 0 374.485 2.073 50 0 FEAARO CC(=O)Nc1ccc(F)c(NC(=O)NCCCCC[NH+]2CCOCC2)c1 ZINC000299769308 553612387 /nfs/dbraw/zinc/61/23/87/553612387.db2.gz LVHBCFRILABUMI-UHFFFAOYSA-N 1 0 366.437 2.408 50 0 FEAARO CO[C@]12CC[N@H+](CCn3cnc4ccccc43)[C@H]1C[C@@H](OCCO)CC2 ZINC000299766462 553612764 /nfs/dbraw/zinc/61/27/64/553612764.db2.gz JDRYGWBHEFNKFI-FFZOFVMBSA-N 1 0 359.470 2.057 50 0 FEAARO C[C@@H](C1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1)[NH+]1CCOCC1 ZINC000299781763 553613623 /nfs/dbraw/zinc/61/36/23/553613623.db2.gz DBYNVTHLLYVGNH-HNNXBMFYSA-N 1 0 356.470 2.146 50 0 FEAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1nnc2n1CCCC2 ZINC000299784907 553614635 /nfs/dbraw/zinc/61/46/35/553614635.db2.gz PMQNIJDWQYSHFH-UHFFFAOYSA-N 1 0 353.470 2.224 50 0 FEAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(C(=O)c3ccon3)CC1)CC2 ZINC000299789232 553615256 /nfs/dbraw/zinc/61/52/56/553615256.db2.gz URQBHGIYOIOPGV-UHFFFAOYSA-N 1 0 371.437 2.355 50 0 FEAARO CN(Cc1cn(C(C)(C)C)nn1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000331437201 554264548 /nfs/dbraw/zinc/26/45/48/554264548.db2.gz KJYIXUYRBWKVFP-MAUKXSAKSA-N 1 0 359.522 2.282 50 0 FEAARO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000332110331 554382806 /nfs/dbraw/zinc/38/28/06/554382806.db2.gz IGSYCAYYPJGXGX-GXTWGEPZSA-N 1 0 367.852 2.152 50 0 FEAARO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCC1(F)F ZINC000332868650 554533805 /nfs/dbraw/zinc/53/38/05/554533805.db2.gz VEQLFQGHVPBDAH-VNQPRFMTSA-N 1 0 359.461 2.441 50 0 FEAARO Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)c1 ZINC000333009903 554558509 /nfs/dbraw/zinc/55/85/09/554558509.db2.gz FONPBPVCAHWTPT-SFHVURJKSA-N 1 0 357.502 2.239 50 0 FEAARO Cn1cc(Br)c(CNC(=O)C2C[NH+](C3CCCCC3)C2)n1 ZINC000333734104 554637558 /nfs/dbraw/zinc/63/75/58/554637558.db2.gz KJCWWEPDYKJNJO-UHFFFAOYSA-N 1 0 355.280 2.063 50 0 FEAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)C(C)(C)c2ccccc2)CC1 ZINC000423017583 559615178 /nfs/dbraw/zinc/61/51/78/559615178.db2.gz WROOTOHGXJHOPI-SJLPKXTDSA-N 1 0 357.498 2.023 50 0 FEAARO COc1cccc(CCNC(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000426495847 559735970 /nfs/dbraw/zinc/73/59/70/559735970.db2.gz RQQCAXOREMCHSK-IBGZPJMESA-N 1 0 361.486 2.134 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@H](OCc2cccnc2)C1 ZINC000426508155 559736300 /nfs/dbraw/zinc/73/63/00/559736300.db2.gz WTUQJZAJZKXBSG-SFHVURJKSA-N 1 0 369.469 2.010 50 0 FEAARO COc1cc2c(cc1CNC(=O)Cn1nccc1[C@H]1CCC[NH2+]C1)CCC2 ZINC000426509776 559736345 /nfs/dbraw/zinc/73/63/45/559736345.db2.gz AWOFPWXEDRHEGJ-KRWDZBQOSA-N 1 0 368.481 2.164 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccc(C)nn3)cc2)C1 ZINC000426548558 559737562 /nfs/dbraw/zinc/73/75/62/559737562.db2.gz RZRWEWLWDOQDAK-INIZCTEOSA-N 1 0 354.454 2.150 50 0 FEAARO COc1ccccc1C1CCN(C(=O)CC[N@H+](C)[C@H]2CCN(C)C2)CC1 ZINC000426550652 559737609 /nfs/dbraw/zinc/73/76/09/559737609.db2.gz PYMQMRBHXMJFPZ-SFHVURJKSA-N 1 0 359.514 2.427 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c(=O)[nH]1 ZINC000426606715 559738825 /nfs/dbraw/zinc/73/88/25/559738825.db2.gz HJHMIRKRGFSTLE-OAQYLSRUSA-N 1 0 372.513 2.456 50 0 FEAARO Cc1cccc2nc(CNC(=O)N3CC[NH+](C4CCSCC4)CC3)cn21 ZINC000426653030 559739532 /nfs/dbraw/zinc/73/95/32/559739532.db2.gz WYEQLARDSYYXDH-UHFFFAOYSA-N 1 0 373.526 2.366 50 0 FEAARO Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c(OCCC[NH3+])c1 ZINC000426667597 559739961 /nfs/dbraw/zinc/73/99/61/559739961.db2.gz OURMEFHHMFLTPP-UHFFFAOYSA-N 1 0 373.497 2.197 50 0 FEAARO CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000426691318 559740397 /nfs/dbraw/zinc/74/03/97/559740397.db2.gz RIHQGVDMJUDPRO-KRWDZBQOSA-N 1 0 358.486 2.063 50 0 FEAARO CO[C@H](CS(=O)(=O)N1CCN(C)c2cc[nH+]cc21)c1ccc(F)cc1 ZINC000528342810 562323762 /nfs/dbraw/zinc/32/37/62/562323762.db2.gz RUPIEMLPVZVVBW-QGZVFWFLSA-N 1 0 365.430 2.194 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](Cn2cc(-c3cnn(-c4ccccn4)c3)cn2)C1 ZINC000530250997 562404124 /nfs/dbraw/zinc/40/41/24/562404124.db2.gz NOKLHMIKZKNYHS-GOSISDBHSA-N 1 0 352.442 2.240 50 0 FEAARO C[C@@H](CNC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)[NH+]1CCCC1 ZINC000534648509 562539158 /nfs/dbraw/zinc/53/91/58/562539158.db2.gz MFNNNPIEHCBBDB-KRWDZBQOSA-N 1 0 372.513 2.209 50 0 FEAARO CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)C2 ZINC000075877426 570619674 /nfs/dbraw/zinc/61/96/74/570619674.db2.gz VTPWAFLSENGPBX-DLBZAZTESA-N 1 0 373.545 2.418 50 0 FEAARO CC(C)CC[N@@H+]1CCN(Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CCO ZINC000105624752 570873983 /nfs/dbraw/zinc/87/39/83/570873983.db2.gz CKWWAJQMLOGOJP-HXUWFJFHSA-N 1 0 374.529 2.131 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000045104075 570905734 /nfs/dbraw/zinc/90/57/34/570905734.db2.gz BHOSONQNGKJEEN-CQSZACIVSA-N 1 0 372.435 2.432 50 0 FEAARO CN(C)c1ccc(NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)cn1 ZINC000048091791 570934027 /nfs/dbraw/zinc/93/40/27/570934027.db2.gz CMMLMPAXAPOANN-QFBILLFUSA-N 1 0 371.485 2.181 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 ZINC000084544245 571088740 /nfs/dbraw/zinc/08/87/40/571088740.db2.gz MUECVXYCNFLRSF-KRWDZBQOSA-N 1 0 359.470 2.075 50 0 FEAARO Nc1nc2c(c(C(=O)N[C@H]3CCC[N@H+](Cc4cccs4)C3)n1)CCCC2 ZINC000670440553 571348869 /nfs/dbraw/zinc/34/88/69/571348869.db2.gz MUPOWCUHZKSXNR-ZDUSSCGKSA-N 1 0 371.510 2.394 50 0 FEAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012433238 670001971 /nfs/dbraw/zinc/00/19/71/670001971.db2.gz LXIAHPKDTIVBTH-KRWDZBQOSA-N 1 0 368.547 2.405 50 0 FEAARO CCN(Cc1noc(CC(C)C)n1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063845626 670411539 /nfs/dbraw/zinc/41/15/39/670411539.db2.gz FGICTYNHCFSDCF-VQIMIIECSA-N 1 0 350.507 2.469 50 0 FEAARO C[C@H](C(=O)NCC1CCCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172424697 672341800 /nfs/dbraw/zinc/34/18/00/672341800.db2.gz OUGGIRAMIJSPLY-QGZVFWFLSA-N 1 0 351.535 2.116 50 0 FEAARO C[N@H+](CCNC(=O)Cn1c2ccccc2sc1=O)Cc1ccccc1 ZINC000002461525 539348808 /nfs/dbraw/zinc/34/88/08/539348808.db2.gz CWTKGLGFTRUHRJ-UHFFFAOYSA-N 1 0 355.463 2.311 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2)n1 ZINC000011817530 539536200 /nfs/dbraw/zinc/53/62/00/539536200.db2.gz QFUSGVRKUAUADM-MRXNPFEDSA-N 1 0 371.510 2.315 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)[nH]n3)cn2)CC1 ZINC000012532098 539563619 /nfs/dbraw/zinc/56/36/19/539563619.db2.gz SSCOAKYCIOPAOI-UHFFFAOYSA-N 1 0 362.437 2.476 50 0 FEAARO COc1ccc2c(CC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)coc2c1 ZINC000012872666 539577988 /nfs/dbraw/zinc/57/79/88/539577988.db2.gz OOKNBJZUJHCCDN-QGZVFWFLSA-N 1 0 360.454 2.457 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014140701 539596716 /nfs/dbraw/zinc/59/67/16/539596716.db2.gz FQKIPROECVQBJF-GOSISDBHSA-N 1 0 361.461 2.278 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000014095335 539595149 /nfs/dbraw/zinc/59/51/49/539595149.db2.gz MJCDJUIYXOCVQB-UHFFFAOYSA-N 1 0 373.478 2.094 50 0 FEAARO CC[NH+]1CCN(c2cc(C)nc3nc(-c4ccc(OC)cc4)nn32)CC1 ZINC000014610369 539603914 /nfs/dbraw/zinc/60/39/14/539603914.db2.gz XSEQMVOKDBLLIS-UHFFFAOYSA-N 1 0 352.442 2.250 50 0 FEAARO CC[C@@H]1C[N@H+](CCC(=O)NC2CCOCC2)Cc2cc(OC)ccc2O1 ZINC000014955857 539608241 /nfs/dbraw/zinc/60/82/41/539608241.db2.gz KWIRJGKARAGHOT-QGZVFWFLSA-N 1 0 362.470 2.354 50 0 FEAARO O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CN1C1Cc2ccccc2C1 ZINC000014966280 539608372 /nfs/dbraw/zinc/60/83/72/539608372.db2.gz DEWZYTFDQVPCGY-GOSISDBHSA-N 1 0 364.445 2.316 50 0 FEAARO CC(=O)NCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000015078207 539612183 /nfs/dbraw/zinc/61/21/83/539612183.db2.gz PHFGPXBMTDTXEC-QGZVFWFLSA-N 1 0 365.905 2.189 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(O)nc2cc(C)ccn2c1=O ZINC000015962657 539626044 /nfs/dbraw/zinc/62/60/44/539626044.db2.gz CYGNWMPJDONMFY-OAHLLOKOSA-N 1 0 372.469 2.093 50 0 FEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccccc3)C2=O)cc1 ZINC000018323185 539649061 /nfs/dbraw/zinc/64/90/61/539649061.db2.gz GEQXKGDDZBZLKQ-QGZVFWFLSA-N 1 0 352.390 2.285 50 0 FEAARO CCC[NH+]1CCN([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)CC1 ZINC000020441691 539674839 /nfs/dbraw/zinc/67/48/39/539674839.db2.gz NKWVBVVBFHWTEL-RTBURBONSA-N 1 0 365.543 2.304 50 0 FEAARO Cn1cccc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+](C)C)[C@@H]2O ZINC000020993242 539679190 /nfs/dbraw/zinc/67/91/90/539679190.db2.gz YEMHJHVJYUWCFC-MOPGFXCFSA-N 1 0 353.466 2.176 50 0 FEAARO Cc1cccc(C[NH+]2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)c1 ZINC000021933125 539690023 /nfs/dbraw/zinc/69/00/23/539690023.db2.gz LCZIRSDAFZVLIY-UHFFFAOYSA-N 1 0 355.482 2.389 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)CN1CSCC1=O)c1ccccc1Cl ZINC000022681680 539696937 /nfs/dbraw/zinc/69/69/37/539696937.db2.gz FTCWILPLTXNQGL-HNNXBMFYSA-N 1 0 369.918 2.372 50 0 FEAARO Cc1ccc(CNC(=O)C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127373 539706993 /nfs/dbraw/zinc/70/69/93/539706993.db2.gz LCGXCGNMOXHYGX-UHFFFAOYSA-N 1 0 357.498 2.382 50 0 FEAARO O[C@H](C[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1ccccc1 ZINC000024097435 539725766 /nfs/dbraw/zinc/72/57/66/539725766.db2.gz DYPAECYSEUIZBH-LJQANCHMSA-N 1 0 354.450 2.309 50 0 FEAARO C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1=O ZINC000025331731 539755964 /nfs/dbraw/zinc/75/59/64/539755964.db2.gz HNQCHDPVVMODHL-BBRMVZONSA-N 1 0 373.478 2.281 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1cccnc1N1CCOCC1)c1ccsc1 ZINC000025814422 539769852 /nfs/dbraw/zinc/76/98/52/539769852.db2.gz ORFJTBWXESYCOH-INIZCTEOSA-N 1 0 360.483 2.012 50 0 FEAARO Cc1sc2ncnc(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2c1C ZINC000029831565 539865480 /nfs/dbraw/zinc/86/54/80/539865480.db2.gz TZLIFZCCDYMPFA-HUUCEWRRSA-N 1 0 362.499 2.457 50 0 FEAARO COc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc(OC)c1OC ZINC000030900344 539893811 /nfs/dbraw/zinc/89/38/11/539893811.db2.gz LZJWYFLRLLPWDF-UHFFFAOYSA-N 1 0 373.453 2.234 50 0 FEAARO COc1ccc([C@H](CNC(=O)c2cnc3c(c2)c(C)nn3C)[NH+](C)C)cc1 ZINC000032200449 539930924 /nfs/dbraw/zinc/93/09/24/539930924.db2.gz YYHJRAWFDIILMB-SFHVURJKSA-N 1 0 367.453 2.318 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)c3cnccn3)c(C(F)(F)F)c2)CC1 ZINC000044796591 540141493 /nfs/dbraw/zinc/14/14/93/540141493.db2.gz RPKLIOXDRXKNHX-UHFFFAOYSA-N 1 0 365.359 2.500 50 0 FEAARO CS(=O)(=O)c1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000047397054 540307589 /nfs/dbraw/zinc/30/75/89/540307589.db2.gz XJEZQYHUAWWZLM-UHFFFAOYSA-N 1 0 351.472 2.182 50 0 FEAARO Cn1c(CC2CC[NH2+]CC2)nnc1CN1CCCC[C@H]1c1cccnc1 ZINC000055198295 540635355 /nfs/dbraw/zinc/63/53/55/540635355.db2.gz BZONGGCGMSZSKZ-SFHVURJKSA-N 1 0 354.502 2.479 50 0 FEAARO NC(=O)CCn1cc(C[NH2+]CCc2[nH]nc3c2CCCC3)c2ccccc21 ZINC000055054013 540624477 /nfs/dbraw/zinc/62/44/77/540624477.db2.gz ODWSVPHTFHYCLQ-UHFFFAOYSA-N 1 0 365.481 2.451 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)CCn1c(C)cc(C)nc1=O)c1ccco1 ZINC000055270851 540642121 /nfs/dbraw/zinc/64/21/21/540642121.db2.gz JUSSKLPYQBQAAO-MRXNPFEDSA-N 1 0 360.458 2.043 50 0 FEAARO NC(=O)C[N@@H+]1CCC[C@H](C(=O)N(Cc2cccnc2)C2CCCCCC2)C1 ZINC000055326620 540646959 /nfs/dbraw/zinc/64/69/59/540646959.db2.gz NYUXXVWXFCETNK-SFHVURJKSA-N 1 0 372.513 2.330 50 0 FEAARO CC(C)NC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000058198223 540832907 /nfs/dbraw/zinc/83/29/07/540832907.db2.gz WCCNNMQSAOTAPT-CQSZACIVSA-N 1 0 363.527 2.258 50 0 FEAARO Cc1noc(C)c1S(=O)(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000058208867 540833480 /nfs/dbraw/zinc/83/34/80/540833480.db2.gz PUDYFTGGIPZBFG-UHFFFAOYSA-N 1 0 355.435 2.183 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(C(=O)COc2ccccc2OCC(F)(F)F)C1 ZINC000237176061 209335269 /nfs/dbraw/zinc/33/52/69/209335269.db2.gz AQWQSUBDBYEHLQ-ZDUSSCGKSA-N 1 0 360.376 2.465 50 0 FEAARO CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000237032451 209325208 /nfs/dbraw/zinc/32/52/08/209325208.db2.gz WQENKSUZZFZIQS-BBRMVZONSA-N 1 0 361.873 2.293 50 0 FEAARO COc1cc(C[NH2+]C2CCC(O)CC2)ccc1OCC(=O)N1CCCC1 ZINC000060815661 541121749 /nfs/dbraw/zinc/12/17/49/541121749.db2.gz PQVFMAOCOQLPJJ-UHFFFAOYSA-N 1 0 362.470 2.090 50 0 FEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCC[NH+]1CCCC1)nc2N1CCCC1 ZINC000065232018 541229319 /nfs/dbraw/zinc/22/93/19/541229319.db2.gz XWGHIRCHXCETTN-UHFFFAOYSA-N 1 0 368.485 2.067 50 0 FEAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000065329744 541234611 /nfs/dbraw/zinc/23/46/11/541234611.db2.gz JDXUGCDPVXQVBI-UHFFFAOYSA-N 1 0 374.485 2.416 50 0 FEAARO Cc1ccc(-n2cccn2)c(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000065370078 541235525 /nfs/dbraw/zinc/23/55/25/541235525.db2.gz WDFAFFDBCLEOAT-UHFFFAOYSA-N 1 0 368.481 2.252 50 0 FEAARO CN(Cc1cccc2cccnc21)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065404979 541235842 /nfs/dbraw/zinc/23/58/42/541235842.db2.gz BJBNAXZQJYEBSJ-HNNXBMFYSA-N 1 0 364.453 2.098 50 0 FEAARO CC[N@H+](Cc1ccncc1)Cc1ccc(C(=O)Nc2cn(C)nn2)cc1 ZINC000065383545 541235860 /nfs/dbraw/zinc/23/58/60/541235860.db2.gz KVRSUBBVEWLPBQ-UHFFFAOYSA-N 1 0 350.426 2.485 50 0 FEAARO CC[C@@H](NC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1)c1nc(C)no1 ZINC000065403955 541236245 /nfs/dbraw/zinc/23/62/45/541236245.db2.gz PPNHGJNRCWGVKN-MRXNPFEDSA-N 1 0 358.442 2.455 50 0 FEAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1Cc1cccc(-n2nc(C)cc2C)c1 ZINC000065426434 541238090 /nfs/dbraw/zinc/23/80/90/541238090.db2.gz VHHCLSVETAPTQU-MOPGFXCFSA-N 1 0 356.470 2.167 50 0 FEAARO O=C([C@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000065493069 541241498 /nfs/dbraw/zinc/24/14/98/541241498.db2.gz VJYMUVVCMIOVDV-NVXWUHKLSA-N 1 0 363.408 2.014 50 0 FEAARO COc1cccc(OC2CN(C(=O)CC3=CSC4=NCCCN34)C2)c1 ZINC000102708000 209238566 /nfs/dbraw/zinc/23/85/66/209238566.db2.gz GYUMWHCUJRMPBF-UHFFFAOYSA-N 1 0 359.451 2.325 50 0 FEAARO C[NH2+]CC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000067559832 541480170 /nfs/dbraw/zinc/48/01/70/541480170.db2.gz GZIDFDJQCUMACY-UHFFFAOYSA-N 1 0 370.457 2.218 50 0 FEAARO CCC1=NO[C@@H](Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)C1 ZINC000067696543 541500493 /nfs/dbraw/zinc/50/04/93/541500493.db2.gz QQICUOBAGLSJES-GOSISDBHSA-N 1 0 369.469 2.115 50 0 FEAARO CO[C@H](C)[C@H]([NH3+])C(=O)N1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000067833390 541518986 /nfs/dbraw/zinc/51/89/86/541518986.db2.gz PPDHWFLNIMDGBL-KDOFPFPSSA-N 1 0 356.470 2.453 50 0 FEAARO CCC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cncn2CC(C)C)C1=O ZINC000067841190 541519926 /nfs/dbraw/zinc/51/99/26/541519926.db2.gz GWBBXDCBRWOLGP-IBGZPJMESA-N 1 0 361.490 2.129 50 0 FEAARO C[N@@H+]1CCCC2(CCN(C(=O)c3cccc(-n4cnnc4)n3)CC2)CC1 ZINC000067803071 541515078 /nfs/dbraw/zinc/51/50/78/541515078.db2.gz ULKNQIOWXRZALU-UHFFFAOYSA-N 1 0 354.458 2.000 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CC(C)(C)C)C2=O)c1 ZINC000067872897 541523343 /nfs/dbraw/zinc/52/33/43/541523343.db2.gz ONCFRZRSGQRZCM-LJQANCHMSA-N 1 0 352.450 2.324 50 0 FEAARO O=C(c1ccc(NCc2ccoc2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067983047 541534947 /nfs/dbraw/zinc/53/49/47/541534947.db2.gz BLSAWVPSXWLSKM-UHFFFAOYSA-N 1 0 370.453 2.224 50 0 FEAARO CC[C@@]1(C2CC[NH+](Cc3ccc4cccc(O)c4n3)CC2)NC(=O)NC1=O ZINC000067983204 541535549 /nfs/dbraw/zinc/53/55/49/541535549.db2.gz PCJVDRQQSNYHAI-FQEVSTJZSA-N 1 0 368.437 2.141 50 0 FEAARO CCCCNC(=O)c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)c1 ZINC000097759430 209197731 /nfs/dbraw/zinc/19/77/31/209197731.db2.gz FUVCADUECCYGFV-UHFFFAOYSA-N 1 0 368.485 2.008 50 0 FEAARO CCCn1nc(C)c(NC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c1C ZINC000097730028 209195733 /nfs/dbraw/zinc/19/57/33/209195733.db2.gz SSBYQYZWIJRMGX-SFHVURJKSA-N 1 0 374.533 2.154 50 0 FEAARO Cc1cc(C)n(CC2(CNC(=O)[C@H]3CCC[N@@H+](C4CCOCC4)C3)CC2)n1 ZINC000097514986 209184790 /nfs/dbraw/zinc/18/47/90/209184790.db2.gz JTMDQORXECGCSB-SFHVURJKSA-N 1 0 374.529 2.287 50 0 FEAARO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000097394400 209180166 /nfs/dbraw/zinc/18/01/66/209180166.db2.gz OEFQVNVGFAJXEI-QGZVFWFLSA-N 1 0 366.527 2.348 50 0 FEAARO Cc1cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c(C)n1-n1cnnc1 ZINC000071745855 541769764 /nfs/dbraw/zinc/76/97/64/541769764.db2.gz QZCBAEFJYJGWMU-KRWDZBQOSA-N 1 0 353.426 2.280 50 0 FEAARO C[C@@H](O)C[N@H+](C)Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000071753668 541770476 /nfs/dbraw/zinc/77/04/76/541770476.db2.gz RZSGSMAJCUHVOG-MRXNPFEDSA-N 1 0 366.465 2.419 50 0 FEAARO COCCN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760960 541771325 /nfs/dbraw/zinc/77/13/25/541771325.db2.gz AULGBXNEWWMKTE-FQEVSTJZSA-N 1 0 373.541 2.168 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2ccnc(-n3cnnc3)c2)CCC[N@@H+]1CC1CC1 ZINC000071757205 541771552 /nfs/dbraw/zinc/77/15/52/541771552.db2.gz MJANLEJKWXPXJO-GOSISDBHSA-N 1 0 368.485 2.245 50 0 FEAARO O=C(C1CCOCC1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072138885 541786260 /nfs/dbraw/zinc/78/62/60/541786260.db2.gz VROJGDUPKNQYFU-XUVXKRRUSA-N 1 0 356.466 2.207 50 0 FEAARO O=C(c1ccccc1N1CCCC1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072141947 541787229 /nfs/dbraw/zinc/78/72/29/541787229.db2.gz DDIXQWRANGFPLR-GOSISDBHSA-N 1 0 357.498 2.348 50 0 FEAARO COC(=O)CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072154994 541790725 /nfs/dbraw/zinc/79/07/25/541790725.db2.gz UILMQCXIFJFIKT-KRWDZBQOSA-N 1 0 350.434 2.448 50 0 FEAARO c1cn(CC2(CNc3nc(-c4ccccn4)nc4c3CC[NH2+]C4)CC2)cn1 ZINC000072166630 541793827 /nfs/dbraw/zinc/79/38/27/541793827.db2.gz VXKPKNQRJQLVNU-UHFFFAOYSA-N 1 0 361.453 2.273 50 0 FEAARO Cc1cc(C)n(-c2cccc(CN(C)Cc3cc4n(n3)CC[NH2+]C4)c2)n1 ZINC000072169976 541795080 /nfs/dbraw/zinc/79/50/80/541795080.db2.gz YVDUIKVTNOYHKR-UHFFFAOYSA-N 1 0 350.470 2.421 50 0 FEAARO O=C(Nc1cccc(-c2nccs2)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000072313613 541798717 /nfs/dbraw/zinc/79/87/17/541798717.db2.gz CXYRAJXLGGKQHW-HZPDHXFCSA-N 1 0 358.467 2.483 50 0 FEAARO Cc1nc([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc(N2CCCC2)n1 ZINC000072427104 541810942 /nfs/dbraw/zinc/81/09/42/541810942.db2.gz FGNLILKNVIWYCK-KRWDZBQOSA-N 1 0 357.502 2.187 50 0 FEAARO O=C(c1cccc(CO)n1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072421135 541808963 /nfs/dbraw/zinc/80/89/63/541808963.db2.gz JTGBXTXBPYRYSS-UHFFFAOYSA-N 1 0 353.466 2.355 50 0 FEAARO CCN1CC2(CC[NH+](Cc3cc4cc(OC)ccc4[nH]c3=O)CC2)OC1=O ZINC000072429893 541811832 /nfs/dbraw/zinc/81/18/32/541811832.db2.gz VVIZEKUWHSPWRX-UHFFFAOYSA-N 1 0 371.437 2.343 50 0 FEAARO CCOCc1nc2c(c(NCc3cccnc3OCC)n1)CC[NH2+]CC2 ZINC000072434956 541813589 /nfs/dbraw/zinc/81/35/89/541813589.db2.gz PEIQIWUSVODAQO-UHFFFAOYSA-N 1 0 357.458 2.107 50 0 FEAARO CCc1nc2c(c(NCc3cc(-c4cccnc4)no3)n1)CC[NH2+]CC2 ZINC000072470773 541818988 /nfs/dbraw/zinc/81/89/88/541818988.db2.gz NKOLXEVPCSRNDJ-UHFFFAOYSA-N 1 0 350.426 2.389 50 0 FEAARO Cc1ncc2c(c1CNC(=O)CCc1nc3cc(F)ccc3[nH]1)CC[NH2+]C2 ZINC000072481217 541822378 /nfs/dbraw/zinc/82/23/78/541822378.db2.gz JASQHGWSUCVUPN-UHFFFAOYSA-N 1 0 367.428 2.300 50 0 FEAARO COc1ccc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)c(F)c1F ZINC000097347553 209179091 /nfs/dbraw/zinc/17/90/91/209179091.db2.gz YIQFYHZNVIORGD-UHFFFAOYSA-N 1 0 368.424 2.481 50 0 FEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccn2nnnc2c1 ZINC000097244124 209175700 /nfs/dbraw/zinc/17/57/00/209175700.db2.gz ZJAHJBKAVGJPPI-SFHVURJKSA-N 1 0 364.453 2.471 50 0 FEAARO COc1ccccc1-c1cc(C(=O)N2CC[C@@H]([NH3+])C2)c2c(C)noc2n1 ZINC000097019427 209166838 /nfs/dbraw/zinc/16/68/38/209166838.db2.gz LIBCZWQTOBJCTB-GFCCVEGCSA-N 1 0 352.394 2.380 50 0 FEAARO Cc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000097088077 209170071 /nfs/dbraw/zinc/17/00/71/209170071.db2.gz YEJYETFPNWMELV-QGZVFWFLSA-N 1 0 355.438 2.182 50 0 FEAARO C[NH+]1CCC(Cc2nc(Cn3nccn3)n(CCc3ccccc3)n2)CC1 ZINC000096132287 209116925 /nfs/dbraw/zinc/11/69/25/209116925.db2.gz HXOAZQOMNKRPMW-UHFFFAOYSA-N 1 0 365.485 2.045 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[N@@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)cc2c1 ZINC000299773132 206642585 /nfs/dbraw/zinc/64/25/85/206642585.db2.gz BBIIVDGVNWWHOI-MOXGXCLJSA-N 1 0 358.438 2.453 50 0 FEAARO O=C(c1ccnn1COc1ccccc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002800627 206686762 /nfs/dbraw/zinc/68/67/62/206686762.db2.gz VVTUESNOQPYIMV-CQSZACIVSA-N 1 0 360.845 2.493 50 0 FEAARO O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCC[NH+]1CCCCCC1 ZINC000002943557 206947954 /nfs/dbraw/zinc/94/79/54/206947954.db2.gz LZZCPGFVVVXJER-UHFFFAOYSA-N 1 0 368.481 2.293 50 0 FEAARO CCC[NH+]1CCC(N(C(=O)CCC(=O)NCc2cccnc2)C2CC2)CC1 ZINC000004229405 207007933 /nfs/dbraw/zinc/00/79/33/207007933.db2.gz SNBKEZSEZUJHLX-UHFFFAOYSA-N 1 0 372.513 2.343 50 0 FEAARO COc1cc(OC)c(OC)cc1C[NH2+]CCNC(=O)c1cccs1 ZINC000004498138 207022896 /nfs/dbraw/zinc/02/28/96/207022896.db2.gz ZYUOWMDHWLCKOR-UHFFFAOYSA-N 1 0 350.440 2.294 50 0 FEAARO CC[NH+]1CCC(NC(=S)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000005042056 207075282 /nfs/dbraw/zinc/07/52/82/207075282.db2.gz ZAFGTOPGJFOVNE-UHFFFAOYSA-N 1 0 351.516 2.195 50 0 FEAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCC(=O)NC(C)(C)C ZINC000004999693 207071187 /nfs/dbraw/zinc/07/11/87/207071187.db2.gz KDJJAMKTSYZVRW-HNNXBMFYSA-N 1 0 350.459 2.257 50 0 FEAARO COc1cc(COC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000005867089 207120831 /nfs/dbraw/zinc/12/08/31/207120831.db2.gz NSGAMEJUVFZLSE-ZBFHGGJFSA-N 1 0 353.459 2.464 50 0 FEAARO Cc1ccc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cn2c1 ZINC000006657910 207152330 /nfs/dbraw/zinc/15/23/30/207152330.db2.gz GKQDWKACBAPQAW-UHFFFAOYSA-N 1 0 370.478 2.149 50 0 FEAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCOC(C)C ZINC000006784920 207164998 /nfs/dbraw/zinc/16/49/98/207164998.db2.gz WVLMGJKVECOLME-CYBMUJFWSA-N 1 0 363.911 2.109 50 0 FEAARO COc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccc3c(c2)OCO3)c1 ZINC000006938870 207179856 /nfs/dbraw/zinc/17/98/56/207179856.db2.gz FVKXKGCJFADNMJ-QGZVFWFLSA-N 1 0 359.422 2.433 50 0 FEAARO Cc1nonc1CC(=O)N(C)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011774093 207322555 /nfs/dbraw/zinc/32/25/55/207322555.db2.gz SDHHCQJUAKZDFS-GOSISDBHSA-N 1 0 356.470 2.476 50 0 FEAARO C[N@H+](C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O)C1CCOCC1 ZINC000011873460 207328197 /nfs/dbraw/zinc/32/81/97/207328197.db2.gz MRJSSLRTALMUJG-FQEVSTJZSA-N 1 0 352.519 2.421 50 0 FEAARO O=C(CCc1cn[nH]c1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012449440 207378625 /nfs/dbraw/zinc/37/86/25/207378625.db2.gz UVTUHASCTXTQEN-HXUWFJFHSA-N 1 0 367.497 2.498 50 0 FEAARO Cn1cnnc1SCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012475638 207382254 /nfs/dbraw/zinc/38/22/54/207382254.db2.gz WLPUSIVXMXOUBR-HNNXBMFYSA-N 1 0 351.520 2.068 50 0 FEAARO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012593530 207397499 /nfs/dbraw/zinc/39/74/99/207397499.db2.gz AJLRCIRQQDTZJE-IBGZPJMESA-N 1 0 369.509 2.416 50 0 FEAARO CC(=O)Nc1ccc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc1 ZINC000012573589 207396599 /nfs/dbraw/zinc/39/65/99/207396599.db2.gz LESZWCYFEQJHJN-UHFFFAOYSA-N 1 0 373.497 2.496 50 0 FEAARO COC(=O)c1ccc2c(c1)[nH]c(=O)n(CC1([NH+](C)C)CCCCC1)c2=O ZINC000012740687 207413406 /nfs/dbraw/zinc/41/34/06/207413406.db2.gz LKPZGHJZAFYWAB-UHFFFAOYSA-N 1 0 359.426 2.153 50 0 FEAARO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400424 208028268 /nfs/dbraw/zinc/02/82/68/208028268.db2.gz IQKRXCJCGGPAKC-UHFFFAOYSA-N 1 0 366.421 2.003 50 0 FEAARO Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)s1 ZINC000033011045 208065942 /nfs/dbraw/zinc/06/59/42/208065942.db2.gz TZTQYWHZHOGPNI-UHFFFAOYSA-N 1 0 373.482 2.315 50 0 FEAARO Cc1cc(=O)c(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1 ZINC000040108092 208229365 /nfs/dbraw/zinc/22/93/65/208229365.db2.gz MMIIHTKIRWXAOI-MRXNPFEDSA-N 1 0 368.481 2.393 50 0 FEAARO Cc1cc(=O)c(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)nn1-c1ccccc1 ZINC000040108091 208229798 /nfs/dbraw/zinc/22/97/98/208229798.db2.gz MMIIHTKIRWXAOI-INIZCTEOSA-N 1 0 368.481 2.393 50 0 FEAARO CC(C)C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000043008291 208298934 /nfs/dbraw/zinc/29/89/34/208298934.db2.gz LDDFSVPMBKYUGS-UHFFFAOYSA-N 1 0 351.878 2.260 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 ZINC000045496036 208333894 /nfs/dbraw/zinc/33/38/94/208333894.db2.gz JDYBXYFHBPFJNH-GDBMZVCRSA-N 1 0 361.467 2.109 50 0 FEAARO O=C([C@H]1CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000048264547 208393410 /nfs/dbraw/zinc/39/34/10/208393410.db2.gz RJMRDZHDHJSIAO-OAHLLOKOSA-N 1 0 358.360 2.408 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1C1CC[NH+](CCC(C)(C)C)CC1 ZINC000077505235 542389837 /nfs/dbraw/zinc/38/98/37/542389837.db2.gz OOLVVRSGVGXVQN-UHFFFAOYSA-N 1 0 363.550 2.387 50 0 FEAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077503403 542390057 /nfs/dbraw/zinc/39/00/57/542390057.db2.gz PMDGWWIEUKFFKL-NRFANRHFSA-N 1 0 369.465 2.462 50 0 FEAARO O=C1N[C@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1nccs1 ZINC000067786155 208725042 /nfs/dbraw/zinc/72/50/42/208725042.db2.gz PIFVUMLWHDMAFA-LJQANCHMSA-N 1 0 370.478 2.176 50 0 FEAARO COC[C@H](NC(=O)c1cccc(CC2CC[NH2+]CC2)c1)c1ccnn1C ZINC000072162558 208818492 /nfs/dbraw/zinc/81/84/92/208818492.db2.gz BJTIZICYCMSAEB-SFHVURJKSA-N 1 0 356.470 2.080 50 0 FEAARO O=C(CCNc1nc(C2CCCC2)nc2c1CC[NH2+]CC2)N1CCCC1 ZINC000072476328 208871346 /nfs/dbraw/zinc/87/13/46/208871346.db2.gz PBCZPYFAVDALKK-UHFFFAOYSA-N 1 0 357.502 2.247 50 0 FEAARO Cc1cccc(C)c1C[NH+]1CCC(c2nnc(Cn3cncn3)n2C)CC1 ZINC000091426151 208975510 /nfs/dbraw/zinc/97/55/10/208975510.db2.gz QEQIIYPDXYPCCZ-UHFFFAOYSA-N 1 0 365.485 2.451 50 0 FEAARO Cc1occc1C(=O)NCC(=O)N1CCC2(C[C@H]2C[NH+]2CCCC2)CC1 ZINC000095982772 209093355 /nfs/dbraw/zinc/09/33/55/209093355.db2.gz YGVFCHGXMLXIFU-INIZCTEOSA-N 1 0 359.470 2.042 50 0 FEAARO COCCCN1CCC[C@]2(CC[N@H+](Cc3cc(C(C)=O)cn3C)C2)C1=O ZINC000091985829 209009247 /nfs/dbraw/zinc/00/92/47/209009247.db2.gz GCASALXOHAMAGK-HXUWFJFHSA-N 1 0 361.486 2.079 50 0 FEAARO CCc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CC(=O)N(C)C)C2 ZINC000092020828 209010750 /nfs/dbraw/zinc/01/07/50/209010750.db2.gz UBYHCUSPLOWMGN-DOTOQJQBSA-N 1 0 358.486 2.265 50 0 FEAARO CCN1CC[C@]2(CN(C(=O)CCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000092028890 209013028 /nfs/dbraw/zinc/01/30/28/209013028.db2.gz NJPJHWZHVNHQIW-NRFANRHFSA-N 1 0 357.498 2.164 50 0 FEAARO Cc1nc(C2CC2)ncc1C(=O)N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000095360728 209028017 /nfs/dbraw/zinc/02/80/17/209028017.db2.gz BHOHHQSPYLRCRK-MRXNPFEDSA-N 1 0 371.529 2.151 50 0 FEAARO Cc1cccc([C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)N(C)C)c1 ZINC000095364208 209029709 /nfs/dbraw/zinc/02/97/09/209029709.db2.gz JIUIMNLXCVQEHN-HXUWFJFHSA-N 1 0 359.514 2.169 50 0 FEAARO O=C(NC[C@H](O)COC1CCCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095366780 209030871 /nfs/dbraw/zinc/03/08/71/209030871.db2.gz NBXYNSPMQJLKRF-KRWDZBQOSA-N 1 0 364.486 2.318 50 0 FEAARO [NH3+]CCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095364704 209031510 /nfs/dbraw/zinc/03/15/10/209031510.db2.gz IHGROQCJDBDVRL-SFHVURJKSA-N 1 0 355.482 2.123 50 0 FEAARO NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095376332 209036578 /nfs/dbraw/zinc/03/65/78/209036578.db2.gz YLSJPEKUYWIACH-IBGZPJMESA-N 1 0 357.498 2.244 50 0 FEAARO CCn1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000095379472 209041260 /nfs/dbraw/zinc/04/12/60/209041260.db2.gz MMWVBTJHSOBYFA-XUVXKRRUSA-N 1 0 366.465 2.311 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000095505913 209064440 /nfs/dbraw/zinc/06/44/40/209064440.db2.gz IUEYQKQDPKXHNI-UHFFFAOYSA-N 1 0 363.412 2.138 50 0 FEAARO CCCCn1nc(C)cc1NC(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000095499438 209062115 /nfs/dbraw/zinc/06/21/15/209062115.db2.gz FAMLWASSYWUQTO-SFHVURJKSA-N 1 0 351.495 2.302 50 0 FEAARO O=C(Cn1ccnc1-c1ccccc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095516495 209070727 /nfs/dbraw/zinc/07/07/27/209070727.db2.gz LKUBRRLOPQPKPI-IBGZPJMESA-N 1 0 368.481 2.263 50 0 FEAARO COc1cc(C(=O)N2CC(O)C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095516790 209071289 /nfs/dbraw/zinc/07/12/89/209071289.db2.gz CFHQAQZBICLEBC-UHFFFAOYSA-N 1 0 374.481 2.298 50 0 FEAARO Cn1cc(N2CC[C@@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cn1 ZINC000084318597 542710867 /nfs/dbraw/zinc/71/08/67/542710867.db2.gz IXGPTZUYYNMBDH-GOSISDBHSA-N 1 0 364.453 2.281 50 0 FEAARO Cc1cc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc(C)[nH+]1 ZINC000077353927 132182160 /nfs/dbraw/zinc/18/21/60/132182160.db2.gz ZWQKUAKQPPDMFP-IBGZPJMESA-N 1 0 353.422 2.187 50 0 FEAARO O=C1N(Cc2noc([C@@H]3CCCO3)n2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082161294 132197546 /nfs/dbraw/zinc/19/75/46/132197546.db2.gz HOVGEUBPMVJOMT-HNNXBMFYSA-N 1 0 369.425 2.002 50 0 FEAARO C[C@H](C1CCN(C(=O)CN2c3ccccc3CN(C)C2=O)CC1)[NH+](C)C ZINC000091830109 132203867 /nfs/dbraw/zinc/20/38/67/132203867.db2.gz WEHMQRBFNZMIHC-OAHLLOKOSA-N 1 0 358.486 2.247 50 0 FEAARO CC(=O)N1CC[N@@H+](C2CCN(c3ccc(C)c(Cl)c3)CC2)C[C@H](O)C1 ZINC000091829718 132203896 /nfs/dbraw/zinc/20/38/96/132203896.db2.gz HTCZJQNVUICJQP-GOSISDBHSA-N 1 0 365.905 2.142 50 0 FEAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(c1cnc3ccccc3n1)CC2 ZINC000091951474 132205014 /nfs/dbraw/zinc/20/50/14/132205014.db2.gz LQGFUIPXQCFERF-UHFFFAOYSA-N 1 0 367.497 2.400 50 0 FEAARO C[C@H](C1CCN(c2cc(N3CCC(O)CC3)ncn2)CC1)[NH+]1CCCC1 ZINC000095352000 132207034 /nfs/dbraw/zinc/20/70/34/132207034.db2.gz QUBPJMAEXSFFSQ-MRXNPFEDSA-N 1 0 359.518 2.138 50 0 FEAARO Cc1ncnc(N2CCN(C(=O)[C@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1C ZINC000095392483 132210736 /nfs/dbraw/zinc/21/07/36/132210736.db2.gz IWEBTSFHAFCVSM-SFHVURJKSA-N 1 0 371.529 2.397 50 0 FEAARO CN(C)c1ccnc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095498516 132212015 /nfs/dbraw/zinc/21/20/15/132212015.db2.gz FIBFMMDTNSWBSN-INIZCTEOSA-N 1 0 357.506 2.075 50 0 FEAARO OCC[C@@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+]1CCc1ccccc1 ZINC000107014943 132240604 /nfs/dbraw/zinc/24/06/04/132240604.db2.gz XCPZNMIHGJQMAW-QGZVFWFLSA-N 1 0 351.454 2.074 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)nnn1C1CC[NH2+]CC1 ZINC000237554276 132248157 /nfs/dbraw/zinc/24/81/57/132248157.db2.gz UWUDDMBVZZNPKE-LLVKDONJSA-N 1 0 359.405 2.078 50 0 FEAARO Cc1cccc(N2CCC([N@@H+]3CCCn4nc([C@H](O)CO)cc4C3)CC2)c1 ZINC000219158937 132273913 /nfs/dbraw/zinc/27/39/13/132273913.db2.gz XVLJDIRNNCQMSD-OAQYLSRUSA-N 1 0 370.497 2.092 50 0 FEAARO COc1ccc(OC2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)cc1 ZINC000219631103 132274699 /nfs/dbraw/zinc/27/46/99/132274699.db2.gz RCKNVQZOMIFMIL-UHFFFAOYSA-N 1 0 369.469 2.320 50 0 FEAARO Nc1nc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244817103 132291358 /nfs/dbraw/zinc/29/13/58/132291358.db2.gz SUIZASNKEQRBEB-JNSHFYNHSA-N 1 0 374.872 2.439 50 0 FEAARO CCOc1ccc(S(=O)(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1C ZINC000090608992 542786867 /nfs/dbraw/zinc/78/68/67/542786867.db2.gz YWZGPDUBIIEPQF-HNNXBMFYSA-N 1 0 372.556 2.452 50 0 FEAARO C[N@@H+]1CCN(Cc2c[nH]nc2C2CCCCC2)C[C@]12CCNC(=O)CC2 ZINC000091444950 542807826 /nfs/dbraw/zinc/80/78/26/542807826.db2.gz ANRMGHWCOULHRX-FQEVSTJZSA-N 1 0 359.518 2.244 50 0 FEAARO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc3nonc32)C1 ZINC000091596056 542815071 /nfs/dbraw/zinc/81/50/71/542815071.db2.gz TXCCKXIWOHPFGB-RHSMWYFYSA-N 1 0 363.421 2.354 50 0 FEAARO COc1cc2c(cc1CN1C[C@H]3CC[C@@H]1C[N@@H+](C1CCOCC1)C3)OCO2 ZINC000091616276 542815709 /nfs/dbraw/zinc/81/57/09/542815709.db2.gz CUZOHZAFGGYUNA-CRAIPNDOSA-N 1 0 374.481 2.499 50 0 FEAARO CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091656279 542818317 /nfs/dbraw/zinc/81/83/17/542818317.db2.gz ZZTDRQUJQIKXTO-LJQANCHMSA-N 1 0 369.509 2.335 50 0 FEAARO OC[C@H]1CN(C/C=C/c2ccc(F)cc2)C[C@H]1C[NH+]1CCC(CO)CC1 ZINC000091724669 542821620 /nfs/dbraw/zinc/82/16/20/542821620.db2.gz MNQFQLDCSVBNRA-RHZFVVMASA-N 1 0 362.489 2.084 50 0 FEAARO Cc1cc(C)c2[nH]c(C[NH2+]CCCN3CCC[C@H](CO)C3)cc(=O)c2c1 ZINC000091745533 542822771 /nfs/dbraw/zinc/82/27/71/542822771.db2.gz MIOZOFNQMGJPHO-KRWDZBQOSA-N 1 0 357.498 2.329 50 0 FEAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000091745274 542823224 /nfs/dbraw/zinc/82/32/24/542823224.db2.gz XSVRMMICFZANST-CQSZACIVSA-N 1 0 374.460 2.066 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c1 ZINC000091769024 542824349 /nfs/dbraw/zinc/82/43/49/542824349.db2.gz RPSZMEKSTDMLHV-QGZVFWFLSA-N 1 0 366.469 2.448 50 0 FEAARO CN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)c(F)c1)C2 ZINC000091780865 542826179 /nfs/dbraw/zinc/82/61/79/542826179.db2.gz KOMJSECUPUGLPD-LSDHHAIUSA-N 1 0 353.869 2.464 50 0 FEAARO C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091818477 542826692 /nfs/dbraw/zinc/82/66/92/542826692.db2.gz CAKUPQNRWYAIRK-CYGHRXIMSA-N 1 0 352.906 2.490 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000058193802 136130876 /nfs/dbraw/zinc/13/08/76/136130876.db2.gz GTFQJLSJHZPQKB-UHFFFAOYSA-N 1 0 363.465 2.174 50 0 FEAARO CCc1cc(N2CC[NH+](CCOc3ccccc3)CC2)n2nccc2n1 ZINC000072129085 136142251 /nfs/dbraw/zinc/14/22/51/136142251.db2.gz CNWSXVLRVNLWCL-UHFFFAOYSA-N 1 0 351.454 2.493 50 0 FEAARO CC(C)c1cncnc1N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072418071 136145774 /nfs/dbraw/zinc/14/57/74/136145774.db2.gz DJKBGZRARLGYCS-FQEVSTJZSA-N 1 0 359.518 2.371 50 0 FEAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc2nonc21 ZINC000079484436 136151021 /nfs/dbraw/zinc/15/10/21/136151021.db2.gz ROPBFONBCAGUSV-UHFFFAOYSA-N 1 0 351.410 2.374 50 0 FEAARO COCCNC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000095528815 209078006 /nfs/dbraw/zinc/07/80/06/209078006.db2.gz WILRVFNTCSROFZ-UHFFFAOYSA-N 1 0 351.466 2.368 50 0 FEAARO CCc1nc(CN2CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC2)cs1 ZINC000124527904 543827960 /nfs/dbraw/zinc/82/79/60/543827960.db2.gz OZLQZJHEPAGALM-MRXNPFEDSA-N 1 0 352.548 2.374 50 0 FEAARO Cc1nc(CNC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)n(C)c1C ZINC000426420387 263584647 /nfs/dbraw/zinc/58/46/47/263584647.db2.gz RNJOFXWJHKYWJP-UHFFFAOYSA-N 1 0 350.850 2.348 50 0 FEAARO COc1ccc(F)cc1-c1ccc(C(=O)NC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000426474253 263598454 /nfs/dbraw/zinc/59/84/54/263598454.db2.gz LOFZDSLEZIFWDD-FQEVSTJZSA-N 1 0 358.413 2.346 50 0 FEAARO C[NH+](C)CCOc1cc(CNC(=O)N2CC(C)(C)OC(C)(C)C2)ccn1 ZINC000188242288 328075390 /nfs/dbraw/zinc/07/53/90/328075390.db2.gz ISGICWHRNLJAMI-UHFFFAOYSA-N 1 0 364.490 2.121 50 0 FEAARO NC(=O)COc1cccc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000172103771 327181012 /nfs/dbraw/zinc/18/10/12/327181012.db2.gz ZYVVJKDNFUMLEH-KRWDZBQOSA-N 1 0 365.433 2.176 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)CN3Cc4ccccc4C3)cc2C1 ZINC000082137715 519854546 /nfs/dbraw/zinc/85/45/46/519854546.db2.gz JTSZXARYTNEQFE-UHFFFAOYSA-N 1 0 367.497 2.131 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(OCc3cscn3)c(OC)c2)C1 ZINC000179024859 522091228 /nfs/dbraw/zinc/09/12/28/522091228.db2.gz LHQCIKFCXCQXIP-CYBMUJFWSA-N 1 0 361.467 2.412 50 0 FEAARO COc1cc(C)ccc1OCC(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000089623571 522278297 /nfs/dbraw/zinc/27/82/97/522278297.db2.gz LERJOLWEPPDLBC-UHFFFAOYSA-N 1 0 359.426 2.357 50 0 FEAARO COc1cc(C[NH2+]Cc2cccnc2N2CCC[C@H](O)C2)cc(OC)c1 ZINC000020202880 522467311 /nfs/dbraw/zinc/46/73/11/522467311.db2.gz RKRALBDKSMUTSW-KRWDZBQOSA-N 1 0 357.454 2.350 50 0 FEAARO COc1cc(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc(OC)c1 ZINC000020532072 522680964 /nfs/dbraw/zinc/68/09/64/522680964.db2.gz MXIYLLMGWFGCPS-UHFFFAOYSA-N 1 0 363.458 2.280 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3cccnc3)C[C@@H]2CCO)cc1C ZINC000019792631 524032980 /nfs/dbraw/zinc/03/29/80/524032980.db2.gz GPGQTHDZPPTAMC-FQEVSTJZSA-N 1 0 355.482 2.467 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(Cc3cnn(C)c3C)C[C@@H]2CCO)cc1C ZINC000019794401 524033155 /nfs/dbraw/zinc/03/31/55/524033155.db2.gz GGSCOGREERFVQA-FQEVSTJZSA-N 1 0 372.513 2.114 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3cccc(-n4cccn4)c3)C[C@@H]2[NH3+])c1 ZINC000091624553 524181116 /nfs/dbraw/zinc/18/11/16/524181116.db2.gz MHWSBSSCEYYZMS-UXHICEINSA-N 1 0 362.433 2.448 50 0 FEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)NCc2cccs2)CC1 ZINC000085468325 524553589 /nfs/dbraw/zinc/55/35/89/524553589.db2.gz NWMDGMNULMIHBV-HNNXBMFYSA-N 1 0 350.532 2.306 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000237775283 525017263 /nfs/dbraw/zinc/01/72/63/525017263.db2.gz IOHIAPROXXXMJA-FUHIMQAGSA-N 1 0 371.525 2.302 50 0 FEAARO Cc1cc(N2CCC(c3nnc(Cn4cncn4)n3C3CC3)CC2)cc[nH+]1 ZINC000091646011 525060089 /nfs/dbraw/zinc/06/00/89/525060089.db2.gz ZLVJRXWNMGUQBJ-UHFFFAOYSA-N 1 0 364.457 2.340 50 0 FEAARO Cc1cc(OCC[NH+]2CCC(CS(N)(=O)=O)CC2)ccc1C(C)C ZINC000089587596 525371616 /nfs/dbraw/zinc/37/16/16/525371616.db2.gz IMAKTZCFJAVHRH-UHFFFAOYSA-N 1 0 354.516 2.498 50 0 FEAARO Cc1c(C(=O)N(C)[C@@H]2CC[NH2+]C2)cnn1-c1ccc(Br)cc1 ZINC000179079080 525561110 /nfs/dbraw/zinc/56/11/10/525561110.db2.gz SVUORXARCOCNOB-CQSZACIVSA-N 1 0 363.259 2.377 50 0 FEAARO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2OCCO)C1 ZINC000091381236 526293908 /nfs/dbraw/zinc/29/39/08/526293908.db2.gz POIANKJPBGMROX-VQIMIIECSA-N 1 0 358.482 2.281 50 0 FEAARO O=C(CC1CCCC1)N1CC[C@@]2(O)CC[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC000091434869 526356007 /nfs/dbraw/zinc/35/60/07/526356007.db2.gz HKMIBSWAVARBOM-RXVVDRJESA-N 1 0 357.498 2.447 50 0 FEAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000299785330 526484195 /nfs/dbraw/zinc/48/41/95/526484195.db2.gz YEISPDFCKKAUEP-GOSISDBHSA-N 1 0 374.485 2.172 50 0 FEAARO Cc1nc2ccc(C(=O)NCC[C@@H]3CCC(=O)N3CC[NH+](C)C)cc2s1 ZINC000216388142 527135565 /nfs/dbraw/zinc/13/55/65/527135565.db2.gz QYCXWCIDFXFIEG-HNNXBMFYSA-N 1 0 374.510 2.277 50 0 FEAARO Cn1cc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000091452582 527183290 /nfs/dbraw/zinc/18/32/90/527183290.db2.gz REABVJRLWQMSQP-VQTJNVASSA-N 1 0 352.482 2.476 50 0 FEAARO CCN(Cc1noc(C)n1)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095362464 535396822 /nfs/dbraw/zinc/39/68/22/535396822.db2.gz BTPMGUVEAUOVHW-UHFFFAOYSA-N 1 0 371.485 2.247 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 ZINC000009620406 535521349 /nfs/dbraw/zinc/52/13/49/535521349.db2.gz LRRWDJUFQCHTQG-UHFFFAOYSA-N 1 0 369.469 2.117 50 0 FEAARO CCN(C)c1ccnc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095379065 535765793 /nfs/dbraw/zinc/76/57/93/535765793.db2.gz NAKRACRBSHIRIH-KRWDZBQOSA-N 1 0 371.533 2.465 50 0 FEAARO COc1ccc2cc(C[NH2+]C[C@@H]3CCCO3)c(N3CCOCC3)nc2c1 ZINC000299769678 537035461 /nfs/dbraw/zinc/03/54/61/537035461.db2.gz SXRNQOCNKISIOG-SFHVURJKSA-N 1 0 357.454 2.349 50 0 FEAARO C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2)CC1 ZINC000171088870 546189907 /nfs/dbraw/zinc/18/99/07/546189907.db2.gz XWTOBTPUWPUMBW-LJQANCHMSA-N 1 0 367.497 2.177 50 0 FEAARO CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179073605 546896383 /nfs/dbraw/zinc/89/63/83/546896383.db2.gz KZPVTEYDAPETHQ-SNVBAGLBSA-N 1 0 350.772 2.376 50 0 FEAARO O=C(NCc1ccccc1Cl)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1C1CCCC1 ZINC000209201690 548665793 /nfs/dbraw/zinc/66/57/93/548665793.db2.gz DHEDXCXOXTYCRQ-RDJZCZTQSA-N 1 0 374.876 2.201 50 0 FEAARO C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000215023728 548667496 /nfs/dbraw/zinc/66/74/96/548667496.db2.gz MFEFVSWEOUMMJI-MRXNPFEDSA-N 1 0 356.470 2.145 50 0 FEAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)c1ccc(Cl)s1)C2 ZINC000219311927 548693766 /nfs/dbraw/zinc/69/37/66/548693766.db2.gz IMYJRHGYWIINCS-ZDUSSCGKSA-N 1 0 368.890 2.239 50 0 FEAARO CSc1ccccc1C(=O)N1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000221156995 548701919 /nfs/dbraw/zinc/70/19/19/548701919.db2.gz WSZPFLHPVPPGPT-KRWDZBQOSA-N 1 0 374.510 2.246 50 0 FEAARO OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cnc(C3CCCCC3)nc1)C2 ZINC000221308340 548703887 /nfs/dbraw/zinc/70/38/87/548703887.db2.gz NZXMYDFJKKNKQZ-LJQANCHMSA-N 1 0 371.485 2.152 50 0 FEAARO C[NH+]1CCC(CNC(=O)[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000222421559 548707646 /nfs/dbraw/zinc/70/76/46/548707646.db2.gz UNZMLBZSEMVVHB-AWEZNQCLSA-N 1 0 370.419 2.385 50 0 FEAARO COc1cc(F)c(C(=O)NC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000223395954 548719991 /nfs/dbraw/zinc/71/99/91/548719991.db2.gz IMSUMDPYZPBTST-UHFFFAOYSA-N 1 0 354.397 2.347 50 0 FEAARO CC[NH+](CC)C1CCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000225720974 548741852 /nfs/dbraw/zinc/74/18/52/548741852.db2.gz BTFUAUDFCCPQIF-UHFFFAOYSA-N 1 0 350.459 2.285 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CCc1c(OC)cccc1-2 ZINC000226847967 548749529 /nfs/dbraw/zinc/74/95/29/548749529.db2.gz HCARIAQVEIRSIV-ZDUSSCGKSA-N 1 0 354.454 2.398 50 0 FEAARO Cc1noc([C@H]2CCCCN2CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1 ZINC000241081927 548884676 /nfs/dbraw/zinc/88/46/76/548884676.db2.gz YSPTUOYIHQGSJN-OAHLLOKOSA-N 1 0 370.413 2.103 50 0 FEAARO COc1ccc(C2(CNC(=O)CN3CC[C@H]([NH+](C)C)C3)CCCC2)cc1 ZINC000244633564 548891854 /nfs/dbraw/zinc/89/18/54/548891854.db2.gz GFAPBFGSQORETD-SFHVURJKSA-N 1 0 359.514 2.259 50 0 FEAARO Cc1ccc2[nH]c(CNC(=O)CC[C@H](C)[NH+]3CCN(C)CC3)nc2c1C ZINC000244734457 548894080 /nfs/dbraw/zinc/89/40/80/548894080.db2.gz NFTKMFNVQGPJOH-HNNXBMFYSA-N 1 0 357.502 2.212 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000248165623 549413121 /nfs/dbraw/zinc/41/31/21/549413121.db2.gz RIKSENJWSOQKEY-RBUKOAKNSA-N 1 0 357.498 2.448 50 0 FEAARO O=C(CN1CC[NH+](C2CCSCC2)CC1)Nc1ccc(Cl)cn1 ZINC000252508545 549670631 /nfs/dbraw/zinc/67/06/31/549670631.db2.gz XOWDEGZZCISNKJ-UHFFFAOYSA-N 1 0 354.907 2.187 50 0 FEAARO COCCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000257186954 549713838 /nfs/dbraw/zinc/71/38/38/549713838.db2.gz LAOIUCMXYWOZLZ-UHFFFAOYSA-N 1 0 366.527 2.297 50 0 FEAARO COC(=O)c1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000299756952 553611086 /nfs/dbraw/zinc/61/10/86/553611086.db2.gz IYBSQJBFTIXUQS-KRWDZBQOSA-N 1 0 361.442 2.238 50 0 FEAARO COc1ccc2cc(C[N@@H+]3CC[C@]4(OC)CC[C@@H](O)C[C@H]34)c(=O)[nH]c2c1 ZINC000299760029 553611258 /nfs/dbraw/zinc/61/12/58/553611258.db2.gz TYBGYZQHELSMRG-MOXGXCLJSA-N 1 0 358.438 2.453 50 0 FEAARO Cc1nc(SCC(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)n[nH]1 ZINC000299757705 553611293 /nfs/dbraw/zinc/61/12/93/553611293.db2.gz ALUZCTTYBYOFTA-OAHLLOKOSA-N 1 0 359.499 2.119 50 0 FEAARO CC(C)c1nc2ccccc2n1CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299761385 553611537 /nfs/dbraw/zinc/61/15/37/553611537.db2.gz KWTNHZNIRMUGRX-WMZOPIPTSA-N 1 0 356.470 2.139 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1cccc(-c2ccc[nH]c2=O)c1 ZINC000299760143 553612068 /nfs/dbraw/zinc/61/20/68/553612068.db2.gz HLRBIULCPRNSOK-QGZVFWFLSA-N 1 0 355.438 2.031 50 0 FEAARO CC1CC[NH+](Cc2ccc(C(=O)N3CCc4nc[nH]c(=O)c4C3)o2)CC1 ZINC000299766050 553612583 /nfs/dbraw/zinc/61/25/83/553612583.db2.gz BDKKFBPCHOJMCS-UHFFFAOYSA-N 1 0 356.426 2.206 50 0 FEAARO CCC(=O)Nc1cc(NC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)ccc1C ZINC000299771014 553612750 /nfs/dbraw/zinc/61/27/50/553612750.db2.gz QXXQSKRBVTWRON-ROUUACIJSA-N 1 0 374.485 2.406 50 0 FEAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(C(=O)c3c[nH]cn3)CC1)CC2 ZINC000299772002 553613321 /nfs/dbraw/zinc/61/33/21/553613321.db2.gz ZKAALJZFSATKDP-UHFFFAOYSA-N 1 0 370.453 2.090 50 0 FEAARO CN(CCO)c1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)cc1 ZINC000299780977 553613911 /nfs/dbraw/zinc/61/39/11/553613911.db2.gz COCXXKQRHTWHBX-UHFFFAOYSA-N 1 0 359.514 2.453 50 0 FEAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1C[C@H]1COc2ccccc2O1 ZINC000299781459 553614057 /nfs/dbraw/zinc/61/40/57/553614057.db2.gz DTVLLQGIOICKPY-MSOLQXFVSA-N 1 0 367.449 2.392 50 0 FEAARO COc1ccc(C)c(NC(=O)NCC[C@H]2CCC(=O)N2CC[NH+](C)C)c1 ZINC000299784192 553614521 /nfs/dbraw/zinc/61/45/21/553614521.db2.gz IATSQTVMEPCOQZ-OAHLLOKOSA-N 1 0 362.474 2.068 50 0 FEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(=O)n4ccc(C)cc4n3)[C@H]2C1 ZINC000299783161 553614671 /nfs/dbraw/zinc/61/46/71/553614671.db2.gz NIIFYOUMJPAHIB-ABSDTBQOSA-N 1 0 357.454 2.161 50 0 FEAARO CN1CC[C@H]([N@H+](C)CCC(=O)NCCc2cccc(C(F)(F)F)c2)C1 ZINC000299797046 553615858 /nfs/dbraw/zinc/61/58/58/553615858.db2.gz PGAXBIOLQQARHF-INIZCTEOSA-N 1 0 357.420 2.390 50 0 FEAARO CN(C)C(=O)c1cccc(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000299801484 553616460 /nfs/dbraw/zinc/61/64/60/553616460.db2.gz YSQQATLFDMQZJK-GOSISDBHSA-N 1 0 374.485 2.153 50 0 FEAARO O=C(c1cccc(OC(F)F)c1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000299799696 553616521 /nfs/dbraw/zinc/61/65/21/553616521.db2.gz YETNOLBGPHBZJK-QGZVFWFLSA-N 1 0 365.424 2.140 50 0 FEAARO Cc1ncnc(N2CC[NH+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c1C ZINC000299799198 553616596 /nfs/dbraw/zinc/61/65/96/553616596.db2.gz PWRJXZZUEGTHKR-GOSISDBHSA-N 1 0 365.481 2.269 50 0 FEAARO CCc1noc(-c2cccc(NC(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)c2)n1 ZINC000299800518 553616697 /nfs/dbraw/zinc/61/66/97/553616697.db2.gz WRCMPFKPGYSVIR-HOTGVXAUSA-N 1 0 371.441 2.284 50 0 FEAARO COc1cccc(-n2cc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn2)c1 ZINC000426489420 559735685 /nfs/dbraw/zinc/73/56/85/559735685.db2.gz VJNJBJVWVVNKJJ-HXUWFJFHSA-N 1 0 369.469 2.166 50 0 FEAARO Cn1ccnc1-c1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000426527696 559737023 /nfs/dbraw/zinc/73/70/23/559737023.db2.gz GMWCBRDWEXSAMG-ROUUACIJSA-N 1 0 354.454 2.070 50 0 FEAARO CCNc1ccnc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)n1 ZINC000426526864 559737040 /nfs/dbraw/zinc/73/70/40/559737040.db2.gz LWIFMWOHHBODHX-UHFFFAOYSA-N 1 0 353.470 2.213 50 0 FEAARO O=C(N[C@@H]1CC[NH2+]C[C@H]1O)c1ccc(-c2nc3ccccc3s2)cc1 ZINC000426550335 559737641 /nfs/dbraw/zinc/73/76/41/559737641.db2.gz AOTCJMCERXSMKS-GDBMZVCRSA-N 1 0 353.447 2.416 50 0 FEAARO [NH3+]CCOc1cccc(CC(=O)N2CCC(Oc3cccnc3)CC2)c1 ZINC000426588962 559738367 /nfs/dbraw/zinc/73/83/67/559738367.db2.gz JSUWDKBMQGMDOU-UHFFFAOYSA-N 1 0 355.438 2.032 50 0 FEAARO Cc1noc(C)c1CN1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)[C@H](O)C1 ZINC000426612418 559738887 /nfs/dbraw/zinc/73/88/87/559738887.db2.gz LAABXQKOQORDBK-WOJBJXKFSA-N 1 0 371.481 2.202 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccccc2O)CC1 ZINC000426635744 559739263 /nfs/dbraw/zinc/73/92/63/559739263.db2.gz YLSBBJISACMYJK-ZWKOTPCHSA-N 1 0 372.513 2.488 50 0 FEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCc1cc(-c2ccccc2)no1 ZINC000426662491 559739817 /nfs/dbraw/zinc/73/98/17/559739817.db2.gz TXNQZNGXEGJYNW-MRXNPFEDSA-N 1 0 365.437 2.322 50 0 FEAARO CN(Cc1nc2c(s1)CCCC2)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426662451 559739834 /nfs/dbraw/zinc/73/98/34/559739834.db2.gz QOHJEMRUCIJNPJ-AWEZNQCLSA-N 1 0 373.526 2.344 50 0 FEAARO CN1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cccc(F)c3F)C2)CC1 ZINC000426667590 559739918 /nfs/dbraw/zinc/73/99/18/559739918.db2.gz NYBOLCUBCGOAMH-OAHLLOKOSA-N 1 0 366.456 2.134 50 0 FEAARO O=C(Cn1ccnn1)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000426700104 559740533 /nfs/dbraw/zinc/74/05/33/559740533.db2.gz VXCNAJDKWBXQRA-HXUWFJFHSA-N 1 0 353.470 2.183 50 0 FEAARO CN(C)C(=O)c1cncc(NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000534634917 562538688 /nfs/dbraw/zinc/53/86/88/562538688.db2.gz QMNSETPDQHCJCD-UHFFFAOYSA-N 1 0 353.470 2.297 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccc(C)o3)[C@H]1C[C@H](NC(=O)Cn1cccn1)CC2 ZINC000534676080 562540071 /nfs/dbraw/zinc/54/00/71/562540071.db2.gz VDDHZVBLHZYDAI-IMFGXOCKSA-N 1 0 372.469 2.113 50 0 FEAARO C[C@@H](NC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1)c1nncn1C ZINC000426429020 570498407 /nfs/dbraw/zinc/49/84/07/570498407.db2.gz PFHOCSNOKPGMBT-RGYNNNPXSA-N 1 0 372.517 2.028 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)c1cccc(-c2ncnn2C(C)C)c1 ZINC000584901529 570510418 /nfs/dbraw/zinc/51/04/18/570510418.db2.gz ZKQDHYHDUNKUPO-UHFFFAOYSA-N 1 0 364.453 2.493 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000102472268 570832592 /nfs/dbraw/zinc/83/25/92/570832592.db2.gz QPVDJBPHHAXGSN-UKRRQHHQSA-N 1 0 367.515 2.304 50 0 FEAARO O=C(NC1CC1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)nc1 ZINC000049420991 570963155 /nfs/dbraw/zinc/96/31/55/570963155.db2.gz KDRKLDWXVPZYRI-GOSISDBHSA-N 1 0 354.429 2.481 50 0 FEAARO C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccon1 ZINC000685940017 571099356 /nfs/dbraw/zinc/09/93/56/571099356.db2.gz LURDMOJJLANYAV-KNHMANMVSA-N 1 0 350.369 2.459 50 0 FEAARO Cc1cc(C)n([C@H]2CCCN(C(=O)c3c[nH]c(C4CC[NH2+]CC4)n3)C2)n1 ZINC000685941195 571100524 /nfs/dbraw/zinc/10/05/24/571100524.db2.gz AIXMWEQECSMYLL-INIZCTEOSA-N 1 0 356.474 2.167 50 0 FEAARO Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H]1C[C@H](C3N=NC(=O)N3C)C[C@H]1O)CC2 ZINC000685941520 571101132 /nfs/dbraw/zinc/10/11/32/571101132.db2.gz YNZYLQYJLBSXJV-YLFCFFPRSA-N 1 0 356.470 2.269 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3C[C@H](O)C[C@@H]3c3ccccc3)c[nH]2)CC1 ZINC000685942780 571103327 /nfs/dbraw/zinc/10/33/27/571103327.db2.gz VSDLVAAZMPZAAJ-SJLPKXTDSA-N 1 0 354.454 2.167 50 0 FEAARO c1nc(NCC2([NH+]3CCOCC3)CCCCCC2)cc([C@@H]2CCOC2)n1 ZINC000426477714 571133193 /nfs/dbraw/zinc/13/31/93/571133193.db2.gz KDDOSSJHYJSCAN-QGZVFWFLSA-N 1 0 360.502 2.818 50 0 FEAARO Cc1ccc(S(=O)(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000575605358 571163443 /nfs/dbraw/zinc/16/34/43/571163443.db2.gz DKLAORYAJOMZDS-OAHLLOKOSA-N 1 0 372.918 2.428 50 0 FEAARO CC(=O)N1CCC([NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000121866552 571179373 /nfs/dbraw/zinc/17/93/73/571179373.db2.gz MJSIHJURQCPCOJ-HZPDHXFCSA-N 1 0 373.497 2.037 50 0 FEAARO CN(Cc1ccc2nsnc2c1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426359485 571215058 /nfs/dbraw/zinc/21/50/58/571215058.db2.gz GVLOOXYZVCVQRJ-AWEZNQCLSA-N 1 0 370.482 2.013 50 0 FEAARO COc1ccc(C(=O)NCc2ccc3[nH]c(C)nc3c2)c(OCC[NH3+])c1 ZINC000426382855 571217684 /nfs/dbraw/zinc/21/76/84/571217684.db2.gz CDZQFYBQYYGWIK-UHFFFAOYSA-N 1 0 354.410 2.147 50 0 FEAARO CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2)cc1 ZINC000426410732 571221588 /nfs/dbraw/zinc/22/15/88/571221588.db2.gz QAWSHFFWISKNNG-QGZVFWFLSA-N 1 0 365.477 2.453 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CCCC2)C(=O)C1)c1cccs1 ZINC000584886455 571313810 /nfs/dbraw/zinc/31/38/10/571313810.db2.gz TUSYRMPVECXONQ-HNNXBMFYSA-N 1 0 364.515 2.147 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cccc(-c3ccc4c(c3)OCC4)c2)C1 ZINC000584888377 571314201 /nfs/dbraw/zinc/31/42/01/571314201.db2.gz KDVPXFRHFIXDGB-QFIPXVFZSA-N 1 0 366.461 2.427 50 0 FEAARO COCC[N@@H+]1CCC[C@H](CNC(=O)C2([NH+]3CCCC3)CCCCC2)C1 ZINC000670464133 571357826 /nfs/dbraw/zinc/35/78/26/571357826.db2.gz OKTKFVSLNUSCRZ-GOSISDBHSA-N 1 0 351.535 2.260 50 0 FEAARO CN1CCCCC[C@H]1c1nc(CC(N)=O)nn1C1Cc2ccccc2C1 ZINC000670468185 571359076 /nfs/dbraw/zinc/35/90/76/571359076.db2.gz DOMOQGKPGPPKSP-KRWDZBQOSA-N 1 0 353.470 2.193 50 0 FEAARO CC(C)C[NH+]1CCC([C@H]2CCN(S(=O)(=O)N3CCCCC3)C2)CC1 ZINC000012711619 670003217 /nfs/dbraw/zinc/00/32/17/670003217.db2.gz NYPPMAMTNYMLDI-SFHVURJKSA-N 1 0 357.564 2.407 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c(C)c1 ZINC000023340415 670047632 /nfs/dbraw/zinc/04/76/32/670047632.db2.gz YWTNIRFIQGSDNK-GOSISDBHSA-N 1 0 367.559 2.340 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000262091915 672908739 /nfs/dbraw/zinc/90/87/39/672908739.db2.gz RVSLXLMUFFLNSM-AWEZNQCLSA-N 1 0 351.497 2.491 50 0 FEAARO CCCS(=O)(=O)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000900320 539334846 /nfs/dbraw/zinc/33/48/46/539334846.db2.gz UFLQRBRGYULPKQ-UHFFFAOYSA-N 1 0 365.543 2.008 50 0 FEAARO Cc1ccc(N(C[C@H](O)C[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001814864 539344128 /nfs/dbraw/zinc/34/41/28/539344128.db2.gz HVDDNZRUHMWIMK-GOSISDBHSA-N 1 0 362.495 2.421 50 0 FEAARO CC1(C)CC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)(C)[NH2+]1 ZINC000002850508 539354947 /nfs/dbraw/zinc/35/49/47/539354947.db2.gz AFHRXTMUBWXWRB-UHFFFAOYSA-N 1 0 371.481 2.488 50 0 FEAARO Cc1ccc2c(c1)N(CCCC(=O)NCC[NH+]1CCCCCC1)C(=O)CO2 ZINC000006751249 539435883 /nfs/dbraw/zinc/43/58/83/539435883.db2.gz CAFCWBUROVEJAQ-UHFFFAOYSA-N 1 0 373.497 2.493 50 0 FEAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 ZINC000012469892 539561260 /nfs/dbraw/zinc/56/12/60/539561260.db2.gz DABNYZMNGFUNEK-OAQYLSRUSA-N 1 0 372.513 2.293 50 0 FEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cn2cncn2)cc1 ZINC000012802717 539575225 /nfs/dbraw/zinc/57/52/25/539575225.db2.gz QPOGLBAZQDIWSN-HXUWFJFHSA-N 1 0 361.449 2.331 50 0 FEAARO CC(C)[C@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccccc1 ZINC000012996978 539581245 /nfs/dbraw/zinc/58/12/45/539581245.db2.gz MRXTZQNNSRIZHA-QUCCMNQESA-N 1 0 367.449 2.253 50 0 FEAARO C[C@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000012989124 539581622 /nfs/dbraw/zinc/58/16/22/539581622.db2.gz YRYVNBWNEMTNEP-YVEFUNNKSA-N 1 0 373.840 2.270 50 0 FEAARO [O-]c1ccccc1-c1nc2ccccc2c(N2CC[NH+](CCO)CC2)n1 ZINC000013121982 539583402 /nfs/dbraw/zinc/58/34/02/539583402.db2.gz DUQIPPKZDHSFNV-UHFFFAOYSA-N 1 0 350.422 2.117 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 ZINC000012893674 539578897 /nfs/dbraw/zinc/57/88/97/539578897.db2.gz RLRRQDRTXKCDQO-QGZVFWFLSA-N 1 0 372.856 2.429 50 0 FEAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1 ZINC000014093271 539594279 /nfs/dbraw/zinc/59/42/79/539594279.db2.gz FVXYLHBIPIGMBK-UHFFFAOYSA-N 1 0 354.520 2.031 50 0 FEAARO COc1ccccc1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc(C)nc2)C1 ZINC000014744098 539604865 /nfs/dbraw/zinc/60/48/65/539604865.db2.gz DWUCMHPOQRDCHY-FUHWJXTLSA-N 1 0 369.465 2.320 50 0 FEAARO CC[C@H]1C[N@H+](CCC(=O)NC2CCOCC2)Cc2cc(OC)ccc2O1 ZINC000014955861 539607679 /nfs/dbraw/zinc/60/76/79/539607679.db2.gz KWIRJGKARAGHOT-KRWDZBQOSA-N 1 0 362.470 2.354 50 0 FEAARO CN(CCn1ccnc1)C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000015064995 539610070 /nfs/dbraw/zinc/61/00/70/539610070.db2.gz RAMKHHLGZLEZIA-UHFFFAOYSA-N 1 0 352.482 2.365 50 0 FEAARO CC(C)S(=O)(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000015063747 539610221 /nfs/dbraw/zinc/61/02/21/539610221.db2.gz PWIHTMVJMQORJW-SFHVURJKSA-N 1 0 351.516 2.354 50 0 FEAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016024593 539626914 /nfs/dbraw/zinc/62/69/14/539626914.db2.gz IFSJXCYDBHORNJ-KZDUYQQSSA-N 1 0 373.428 2.001 50 0 FEAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016041893 539626954 /nfs/dbraw/zinc/62/69/54/539626954.db2.gz CBVABNCXHHQEEV-RQXXJAGISA-N 1 0 373.412 2.118 50 0 FEAARO COC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000018122752 539646438 /nfs/dbraw/zinc/64/64/38/539646438.db2.gz WWRZFLCJRYBBGC-QGZVFWFLSA-N 1 0 370.380 2.077 50 0 FEAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ncc[nH]3)C2)CC1 ZINC000020149208 539672596 /nfs/dbraw/zinc/67/25/96/539672596.db2.gz HGCBOHQWYUJMFU-KRWDZBQOSA-N 1 0 355.486 2.205 50 0 FEAARO CCOc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OC ZINC000022074662 539691324 /nfs/dbraw/zinc/69/13/24/539691324.db2.gz PEWRBOXTOHZHSX-UHFFFAOYSA-N 1 0 364.467 2.074 50 0 FEAARO CCCn1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1=O ZINC000022463134 539695870 /nfs/dbraw/zinc/69/58/70/539695870.db2.gz OUIQZIZQXTWSEC-GOSISDBHSA-N 1 0 354.454 2.220 50 0 FEAARO c1cc2c(ncnc2NCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000023888285 539721231 /nfs/dbraw/zinc/72/12/31/539721231.db2.gz YESLBZFVZUAZMD-UHFFFAOYSA-N 1 0 355.471 2.106 50 0 FEAARO CCc1cc2c(ncnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000026705470 539791093 /nfs/dbraw/zinc/79/10/93/539791093.db2.gz DNMFXCFQKVVALR-UHFFFAOYSA-N 1 0 373.526 2.388 50 0 FEAARO CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000035251552 539979891 /nfs/dbraw/zinc/97/98/91/539979891.db2.gz UYBAAHDAFWICFD-UHFFFAOYSA-N 1 0 365.268 2.102 50 0 FEAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2cc(F)cc(F)c2)[nH+]1 ZINC000038670718 539999616 /nfs/dbraw/zinc/99/96/16/539999616.db2.gz QFAMREREDTXFJR-UHFFFAOYSA-N 1 0 350.373 2.363 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694875 540604005 /nfs/dbraw/zinc/60/40/05/540604005.db2.gz KBYQNRLMSZBSRZ-INIZCTEOSA-N 1 0 370.419 2.237 50 0 FEAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(C)n(CC(N)=O)c2ccccc21 ZINC000055119083 540630032 /nfs/dbraw/zinc/63/00/32/540630032.db2.gz KIDMQEZBSNCBAV-QGZVFWFLSA-N 1 0 370.497 2.316 50 0 FEAARO O=C(NCCc1[nH]nc2c1CCCC2)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055343003 540647574 /nfs/dbraw/zinc/64/75/74/540647574.db2.gz OQJSQZAEQURZJM-HNNXBMFYSA-N 1 0 356.470 2.452 50 0 FEAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000057373558 540792293 /nfs/dbraw/zinc/79/22/93/540792293.db2.gz VLSYWIROWHABRO-SFHVURJKSA-N 1 0 357.454 2.210 50 0 FEAARO Cc1ccc([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+](C)C)cc1 ZINC000058178671 540831602 /nfs/dbraw/zinc/83/16/02/540831602.db2.gz SYBJHVRXWQDZGW-IBGZPJMESA-N 1 0 364.449 2.124 50 0 FEAARO CCn1cnnc1CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058210433 540833748 /nfs/dbraw/zinc/83/37/48/540833748.db2.gz ZJRKGSSZPGZBSN-QGZVFWFLSA-N 1 0 356.474 2.152 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(Cn3cncn3)cc2)o1 ZINC000058210746 540833895 /nfs/dbraw/zinc/83/38/95/540833895.db2.gz XMMCCZUOJQQDET-UHFFFAOYSA-N 1 0 367.453 2.432 50 0 FEAARO CCOC(=O)NCCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000058264816 540836395 /nfs/dbraw/zinc/83/63/95/540836395.db2.gz JMCILJVAGSMCGA-UHFFFAOYSA-N 1 0 365.499 2.353 50 0 FEAARO COc1ccccc1[C@H]1CCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237292378 209342402 /nfs/dbraw/zinc/34/24/02/209342402.db2.gz WMYSHWCICSQZAG-QGZVFWFLSA-N 1 0 355.442 2.189 50 0 FEAARO Cc1nc(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C1CC[NH+](C)CC1 ZINC000065257265 541230470 /nfs/dbraw/zinc/23/04/70/541230470.db2.gz SDDROUQAMNYMHD-UHFFFAOYSA-N 1 0 370.453 2.425 50 0 FEAARO O=C1NCCN(C2CC[NH+](Cc3ccccn3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000065468575 541239848 /nfs/dbraw/zinc/23/98/48/541239848.db2.gz KDHUNAUVOLMVCC-HXUWFJFHSA-N 1 0 368.456 2.358 50 0 FEAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000065370269 541235386 /nfs/dbraw/zinc/23/53/86/541235386.db2.gz PWLZUEAKBPMWDG-HNNXBMFYSA-N 1 0 350.434 2.164 50 0 FEAARO O=C(C[NH2+]CCc1nc(-c2ccccn2)no1)NC1CCCCCCC1 ZINC000065382940 541235874 /nfs/dbraw/zinc/23/58/74/541235874.db2.gz NEPTYJHMQCCMHV-UHFFFAOYSA-N 1 0 357.458 2.493 50 0 FEAARO O=C(COc1ccccc1CN1[C@@H]2CC[C@H]1C[NH2+]CC2)N1CCCCC1 ZINC000065384947 541236438 /nfs/dbraw/zinc/23/64/38/541236438.db2.gz HUDBMPPGEGGQFT-MOPGFXCFSA-N 1 0 357.498 2.404 50 0 FEAARO Cc1cccc(Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)n1 ZINC000065423793 541236888 /nfs/dbraw/zinc/23/68/88/541236888.db2.gz HRSHVICRAUZXJI-UHFFFAOYSA-N 1 0 363.465 2.328 50 0 FEAARO Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065527583 541243952 /nfs/dbraw/zinc/24/39/52/541243952.db2.gz XIXQQPPPAKACGW-CVEARBPZSA-N 1 0 360.483 2.004 50 0 FEAARO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)nnn1-c1cccc2cccnc21 ZINC000067136585 541422257 /nfs/dbraw/zinc/42/22/57/541422257.db2.gz ZLQKYOIVRSCSFG-AWEZNQCLSA-N 1 0 364.453 2.338 50 0 FEAARO CC(C)c1nccn1[C@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067562276 541480740 /nfs/dbraw/zinc/48/07/40/541480740.db2.gz VICQZVDWLOTJOQ-MRXNPFEDSA-N 1 0 370.501 2.031 50 0 FEAARO CCc1c(C)nn(CC[NH2+]C[C@]2(O)CCCN(CC(C)(C)C)C2=O)c1C ZINC000067490161 541471705 /nfs/dbraw/zinc/47/17/05/541471705.db2.gz VOPXEMQBKXAJMV-HXUWFJFHSA-N 1 0 364.534 2.052 50 0 FEAARO COc1ccc(CCCC(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000067689087 541499741 /nfs/dbraw/zinc/49/97/41/541499741.db2.gz NPCDFJKXIFXHIG-UHFFFAOYSA-N 1 0 359.514 2.256 50 0 FEAARO NC(=O)COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1Cl ZINC000067714141 541503939 /nfs/dbraw/zinc/50/39/39/541503939.db2.gz LJIRWRLIRKELCI-KSSFIOAISA-N 1 0 352.862 2.331 50 0 FEAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067757762 541508643 /nfs/dbraw/zinc/50/86/43/541508643.db2.gz HBFVTWOQNDTWTR-SFHVURJKSA-N 1 0 368.481 2.239 50 0 FEAARO CC(C)Cc1cc(C(=O)NCc2cccnc2N2CCC[N@H+](C)CC2)on1 ZINC000067847453 541520086 /nfs/dbraw/zinc/52/00/86/541520086.db2.gz OGZSPOILDIHLCY-UHFFFAOYSA-N 1 0 371.485 2.340 50 0 FEAARO CCc1nnc(NC(=O)c2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000067852423 541520609 /nfs/dbraw/zinc/52/06/09/541520609.db2.gz XQGJRTLJOVEVGC-AWEZNQCLSA-N 1 0 373.482 2.050 50 0 FEAARO CCCC[N@H+](C)C[C@]1(O)CCCN(Cc2cc(OC)ccc2F)C1=O ZINC000067789934 541514476 /nfs/dbraw/zinc/51/44/76/541514476.db2.gz YMXCHJVOKCQQSL-LJQANCHMSA-N 1 0 352.450 2.420 50 0 FEAARO Cc1ccc2cc(C3(O)CCN(C(=O)C[NH+]4CCCC4)CC3)ccc2n1 ZINC000067805187 541515301 /nfs/dbraw/zinc/51/53/01/541515301.db2.gz AUEHWJOXONOJCK-UHFFFAOYSA-N 1 0 353.466 2.449 50 0 FEAARO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c(-c2ccccc2)o1 ZINC000067868594 541522982 /nfs/dbraw/zinc/52/29/82/541522982.db2.gz MMFOAUMFCHSXJQ-RDJZCZTQSA-N 1 0 355.438 2.321 50 0 FEAARO C[NH2+]CCN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 ZINC000067885654 541525168 /nfs/dbraw/zinc/52/51/68/541525168.db2.gz BJFVDKYVERHPKK-KRWDZBQOSA-N 1 0 360.502 2.205 50 0 FEAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067885069 541525312 /nfs/dbraw/zinc/52/53/12/541525312.db2.gz KUIQNACCRKTWQE-OAHLLOKOSA-N 1 0 366.469 2.222 50 0 FEAARO C[NH+](C)CCNc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 ZINC000067909594 541528063 /nfs/dbraw/zinc/52/80/63/541528063.db2.gz WXFGOCUDUCKKCL-UHFFFAOYSA-N 1 0 369.469 2.134 50 0 FEAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccccc1OC ZINC000236774996 209199144 /nfs/dbraw/zinc/19/91/44/209199144.db2.gz YMCZRKMCSYFGSI-RIFZZMRRSA-N 1 0 373.497 2.335 50 0 FEAARO CCOc1ccc(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cc1Cl ZINC000097813671 209198961 /nfs/dbraw/zinc/19/89/61/209198961.db2.gz OTUVFYBJUCYECG-IRXDYDNUSA-N 1 0 354.878 2.006 50 0 FEAARO Cc1cccc(=O)n1CCC(=O)NC[C@@H](c1cccnc1)[NH+]1CCCCC1 ZINC000097775676 209196645 /nfs/dbraw/zinc/19/66/45/209196645.db2.gz GUBFPCBUSVWLNA-IBGZPJMESA-N 1 0 368.481 2.285 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CCC(O)(c3ccc(F)cc3)CC2)C1 ZINC000097711660 209193452 /nfs/dbraw/zinc/19/34/52/209193452.db2.gz NSUQSNUXUSTIPO-SFHVURJKSA-N 1 0 364.461 2.135 50 0 FEAARO Cc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(-c2ccccc2)o1 ZINC000097425680 209182111 /nfs/dbraw/zinc/18/21/11/209182111.db2.gz SKCCUMSRLCAGGO-MRXNPFEDSA-N 1 0 355.438 2.182 50 0 FEAARO C[C@H]1CCCN(S(=O)(=O)c2sccc2Br)[C@@H]1C[NH3+] ZINC000070177243 541733559 /nfs/dbraw/zinc/73/35/59/541733559.db2.gz JZNSPDVEFQMKHJ-WCBMZHEXSA-N 1 0 353.307 2.259 50 0 FEAARO O=C(C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O)NCc1ccccc1F ZINC000072144401 541786977 /nfs/dbraw/zinc/78/69/77/541786977.db2.gz GTLNRTWEBZOMGW-QGZVFWFLSA-N 1 0 361.461 2.309 50 0 FEAARO O=C(CCN1CCCO1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072146415 541788362 /nfs/dbraw/zinc/78/83/62/541788362.db2.gz MLZAAPHNBXZVLB-FQEVSTJZSA-N 1 0 372.513 2.170 50 0 FEAARO CN(C)C(=O)c1ccc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000072146756 541788370 /nfs/dbraw/zinc/78/83/70/541788370.db2.gz CJEQQKJOGQUENB-LJQANCHMSA-N 1 0 368.481 2.473 50 0 FEAARO O=C(c1ccon1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151217 541789571 /nfs/dbraw/zinc/78/95/71/541789571.db2.gz AARRDXCLNIDLFS-GDIGMMSISA-N 1 0 367.405 2.106 50 0 FEAARO COc1ccc(C(=O)N2C[C@@H](O)[C@H]([NH2+]CCCc3ccccc3)C2)cc1 ZINC000072162769 541792756 /nfs/dbraw/zinc/79/27/56/541792756.db2.gz MWJAGAMZUDYUKW-WOJBJXKFSA-N 1 0 354.450 2.103 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000072162564 541792103 /nfs/dbraw/zinc/79/21/03/541792103.db2.gz LANFSIINFVPFQV-CYBMUJFWSA-N 1 0 363.408 2.495 50 0 FEAARO CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCC[C@H](C)[NH+](C)C)C1 ZINC000072164746 541793274 /nfs/dbraw/zinc/79/32/74/541793274.db2.gz WYEVWAXXOQDOOW-AWEZNQCLSA-N 1 0 368.485 2.195 50 0 FEAARO c1cncc(Cc2nnc3n2CC[N@@H+](Cc2ccc4c(c2)OCO4)CC3)c1 ZINC000072164346 541793307 /nfs/dbraw/zinc/79/33/07/541793307.db2.gz IJRQTKMHZJZLCB-UHFFFAOYSA-N 1 0 363.421 2.051 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3CN2C)cc1 ZINC000072164957 541794110 /nfs/dbraw/zinc/79/41/10/541794110.db2.gz XNQQIHOCZRKPJJ-LJQANCHMSA-N 1 0 373.522 2.083 50 0 FEAARO Cc1nc2c(c(NCCc3nc(C)c4c(n3)CCCC4)n1)CC[NH2+]CC2 ZINC000072426606 541811233 /nfs/dbraw/zinc/81/12/33/541811233.db2.gz BWPAWCBBMAFCOA-UHFFFAOYSA-N 1 0 352.486 2.105 50 0 FEAARO O=C1CC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]2N1CCCn1ccnc1 ZINC000072412092 541807560 /nfs/dbraw/zinc/80/75/60/541807560.db2.gz FSEVOQIPIXTRJF-RBUKOAKNSA-N 1 0 353.470 2.181 50 0 FEAARO Cc1ccc(N2C[C@@H](n3ccnc3-c3cc4n(n3)CC[NH2+]C4)CC2=O)cc1 ZINC000072433092 541813692 /nfs/dbraw/zinc/81/36/92/541813692.db2.gz RSLWITYAWXGGSA-KRWDZBQOSA-N 1 0 362.437 2.136 50 0 FEAARO Cc1cc(CNc2nc(-c3ccco3)nc3c2CC[N@H+](C)CC3)n(C)n1 ZINC000072478957 541820519 /nfs/dbraw/zinc/82/05/19/541820519.db2.gz PFZXIUOXFCPOTP-UHFFFAOYSA-N 1 0 352.442 2.421 50 0 FEAARO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)[NH+](C)C ZINC000097166146 209174368 /nfs/dbraw/zinc/17/43/68/209174368.db2.gz HVNRJINOAYSSSR-SFHVURJKSA-N 1 0 369.531 2.314 50 0 FEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000072729750 541858666 /nfs/dbraw/zinc/85/86/66/541858666.db2.gz CHGQAQZXKCDRPN-UHFFFAOYSA-N 1 0 374.506 2.435 50 0 FEAARO C[NH+]1CCC(Cc2nc(-c3cn[nH]n3)n(-c3ccc(F)cc3F)n2)CC1 ZINC000096147843 209123104 /nfs/dbraw/zinc/12/31/04/209123104.db2.gz SHJCWRSIANARJN-UHFFFAOYSA-N 1 0 359.384 2.215 50 0 FEAARO CNC(=O)CCc1ccccc1NC(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000096149820 209123083 /nfs/dbraw/zinc/12/30/83/209123083.db2.gz JZUPGRDJBBTYHZ-OAHLLOKOSA-N 1 0 358.486 2.456 50 0 FEAARO CC[NH+]1CCN(CC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000073435078 541953993 /nfs/dbraw/zinc/95/39/93/541953993.db2.gz PHJBBQUETSXERS-FQEVSTJZSA-N 1 0 356.445 2.064 50 0 FEAARO C[C@@H]1CCc2sc3ncn4nc(C(=O)NCCC[NH+](C)C)nc4c3c2C1 ZINC000002330935 206910634 /nfs/dbraw/zinc/91/06/34/206910634.db2.gz XGJUACFXRVMQNI-LLVKDONJSA-N 1 0 372.498 2.145 50 0 FEAARO COc1cc(OC)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC ZINC000004385818 207017091 /nfs/dbraw/zinc/01/70/91/207017091.db2.gz BEDYPXZLBGYYGV-INIZCTEOSA-N 1 0 353.382 2.349 50 0 FEAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCC2 ZINC000004851656 207055572 /nfs/dbraw/zinc/05/55/72/207055572.db2.gz HZGCUEHHEQDQHT-UHFFFAOYSA-N 1 0 372.494 2.024 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000005931576 207123193 /nfs/dbraw/zinc/12/31/93/207123193.db2.gz HFTGZXTWUYOCAD-SFHVURJKSA-N 1 0 364.449 2.275 50 0 FEAARO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000006543712 207144592 /nfs/dbraw/zinc/14/45/92/207144592.db2.gz JLPBOZPGSAEWNL-QUCCMNQESA-N 1 0 355.434 2.426 50 0 FEAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000006865216 207173086 /nfs/dbraw/zinc/17/30/86/207173086.db2.gz OKGIXFHIELDQGE-UHFFFAOYSA-N 1 0 374.510 2.439 50 0 FEAARO COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NC(=O)NCC(C)C)c1 ZINC000007718451 207203592 /nfs/dbraw/zinc/20/35/92/207203592.db2.gz NKYBNKMYBYGSNF-INIZCTEOSA-N 1 0 363.458 2.323 50 0 FEAARO CC1(C)CC(NC(=O)CCn2cnc3ccccc3c2=O)CC(C)(C)[NH2+]1 ZINC000008991562 207253386 /nfs/dbraw/zinc/25/33/86/207253386.db2.gz HSBZOUNMUMLCBJ-UHFFFAOYSA-N 1 0 356.470 2.212 50 0 FEAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000011873493 207327556 /nfs/dbraw/zinc/32/75/56/207327556.db2.gz YDHCCZDWWPZZAS-CQSZACIVSA-N 1 0 372.498 2.208 50 0 FEAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@H]3CCOC3)CC2)cc1 ZINC000012075262 207335997 /nfs/dbraw/zinc/33/59/97/207335997.db2.gz FSCITPMTCHMFQY-IBGZPJMESA-N 1 0 360.498 2.445 50 0 FEAARO Cc1cnc(CN2C(=O)CC[C@@H]2CC[NH2+]CCOc2ccc(F)cc2)cn1 ZINC000012508598 207385366 /nfs/dbraw/zinc/38/53/66/207385366.db2.gz HYDKABNCARDDNI-GOSISDBHSA-N 1 0 372.444 2.474 50 0 FEAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014733075 207524865 /nfs/dbraw/zinc/52/48/65/207524865.db2.gz CXYPKXLAHVKHKV-QGZVFWFLSA-N 1 0 364.493 2.270 50 0 FEAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCSC)cc1 ZINC000014981971 207536010 /nfs/dbraw/zinc/53/60/10/207536010.db2.gz BJODBTMIAYTQNF-INIZCTEOSA-N 1 0 350.484 2.307 50 0 FEAARO O=C(NCCCc1ccccn1)c1ccc(N[C@@H]2C[NH+]3CCC2CC3)nc1 ZINC000015065447 207541190 /nfs/dbraw/zinc/54/11/90/207541190.db2.gz JPXJDEDLKIRTBN-LJQANCHMSA-N 1 0 365.481 2.345 50 0 FEAARO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1)Nc1ccccc1 ZINC000020101678 207725959 /nfs/dbraw/zinc/72/59/59/207725959.db2.gz YRDJDWQYVNURJM-CQSZACIVSA-N 1 0 368.372 2.485 50 0 FEAARO CC1CCN(S(=O)(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000032759260 208039729 /nfs/dbraw/zinc/03/97/29/208039729.db2.gz KFGURPVUFBZVIN-UHFFFAOYSA-N 1 0 351.516 2.349 50 0 FEAARO CCCn1nc(C(=O)NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)ccc1=O ZINC000032817235 208045436 /nfs/dbraw/zinc/04/54/36/208045436.db2.gz DPMOOGQOMKKVJK-GOSISDBHSA-N 1 0 368.481 2.220 50 0 FEAARO C[C@H](CCc1ccco1)NC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1 ZINC000033069174 208070911 /nfs/dbraw/zinc/07/09/11/208070911.db2.gz KUEIWLFSGIKANM-CQSZACIVSA-N 1 0 358.442 2.452 50 0 FEAARO CCOc1ccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc1CO ZINC000039421211 208210623 /nfs/dbraw/zinc/21/06/23/208210623.db2.gz FGBSCCYAXHRSMO-HXUWFJFHSA-N 1 0 364.530 2.492 50 0 FEAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C4CC4)cc3)cc2n(C)c1=O ZINC000040721226 208264092 /nfs/dbraw/zinc/26/40/92/208264092.db2.gz IUIFSAXHQHMYQQ-HXUWFJFHSA-N 1 0 367.449 2.241 50 0 FEAARO COc1cc(C[NH2+]CCCCO)ccc1Oc1nnnn1-c1ccccc1 ZINC000040744192 208267160 /nfs/dbraw/zinc/26/71/60/208267160.db2.gz BNICHCTUFGHYOK-UHFFFAOYSA-N 1 0 369.425 2.325 50 0 FEAARO CS(=O)(=O)Cc1c2ccccc2sc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000299739567 208325371 /nfs/dbraw/zinc/32/53/71/208325371.db2.gz QFEOZZPEEKKKMH-LLVKDONJSA-N 1 0 352.481 2.009 50 0 FEAARO CCC[C@@H](C)N1CC2(CCN(C(=O)C[NH+]3CCCCC3)CC2)OC1=O ZINC000077343063 542369408 /nfs/dbraw/zinc/36/94/08/542369408.db2.gz NVTKOGZLJXCTSD-MRXNPFEDSA-N 1 0 351.491 2.474 50 0 FEAARO CCCn1cc(C[NH+]2CCC(c3nnc(CN(C)C)n3C)CC2)c(C)n1 ZINC000077357492 542371899 /nfs/dbraw/zinc/37/18/99/542371899.db2.gz HSEUNMDJCVRRQE-UHFFFAOYSA-N 1 0 359.522 2.171 50 0 FEAARO CCn1cc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)cn1 ZINC000077355771 542371975 /nfs/dbraw/zinc/37/19/75/542371975.db2.gz FMJQLDYFSZRUND-UHFFFAOYSA-N 1 0 357.506 2.007 50 0 FEAARO CCc1nccn1CCCNc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000077355519 542372163 /nfs/dbraw/zinc/37/21/63/542372163.db2.gz MYWHRFMLLFQEBN-UHFFFAOYSA-N 1 0 363.469 2.445 50 0 FEAARO Cc1ccccc1CSCC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000077454808 542384123 /nfs/dbraw/zinc/38/41/23/542384123.db2.gz DUOTVVTYQFBDHO-FQEVSTJZSA-N 1 0 373.566 2.467 50 0 FEAARO Cc1nc(-c2ccc(CNc3nc(C)nc4c3CC[NH2+]CC4)cc2)no1 ZINC000065372282 208668749 /nfs/dbraw/zinc/66/87/49/208668749.db2.gz MMKRLCCIEHGWKH-UHFFFAOYSA-N 1 0 350.426 2.444 50 0 FEAARO Cc1cnc(CNC(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)cn1 ZINC000065383348 208670107 /nfs/dbraw/zinc/67/01/07/208670107.db2.gz DZVYJNMFSFSYHE-UHFFFAOYSA-N 1 0 360.845 2.256 50 0 FEAARO O=C1N[C@@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CCc1ccccc1 ZINC000067605802 208711920 /nfs/dbraw/zinc/71/19/20/208711920.db2.gz DWHIBFOUWUFJOJ-OAQYLSRUSA-N 1 0 364.449 2.071 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1Cl ZINC000077566385 542398501 /nfs/dbraw/zinc/39/85/01/542398501.db2.gz LOWLRYNGAFVQST-GOSISDBHSA-N 1 0 352.862 2.412 50 0 FEAARO Cc1cccc(C)c1OC[C@@H](C)NC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072454208 208867928 /nfs/dbraw/zinc/86/79/28/208867928.db2.gz AHQQXSJRRHBVRO-MRXNPFEDSA-N 1 0 356.470 2.119 50 0 FEAARO COC[C@H](C)n1c(CCCC(=O)N2CCC(C[NH3+])CC2)nc2cccnc21 ZINC000077517691 208913637 /nfs/dbraw/zinc/91/36/37/208913637.db2.gz VSSNSMAVYFBFJT-HNNXBMFYSA-N 1 0 373.501 2.159 50 0 FEAARO CNc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000091848696 209000317 /nfs/dbraw/zinc/00/03/17/209000317.db2.gz AFUIKXAWGQUEGH-MAUKXSAKSA-N 1 0 369.444 2.394 50 0 FEAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000091872331 209001702 /nfs/dbraw/zinc/00/17/02/209001702.db2.gz CJRMBYLRTLWIRD-KRWDZBQOSA-N 1 0 366.469 2.448 50 0 FEAARO Cn1c2ccccc2nc1CN1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091876621 209002731 /nfs/dbraw/zinc/00/27/31/209002731.db2.gz JXUCUGNDXJIDMJ-QZTJIDSGSA-N 1 0 356.514 2.490 50 0 FEAARO CCN1CC[C@@]2(CN(C(=O)Nc3cccc(F)c3)CC[N@@H+]2C)CCC1=O ZINC000091997295 209009237 /nfs/dbraw/zinc/00/92/37/209009237.db2.gz MHTMGXKBEXANDK-LJQANCHMSA-N 1 0 362.449 2.376 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)CC1 ZINC000091998080 209010641 /nfs/dbraw/zinc/01/06/41/209010641.db2.gz KPNYSLGMXFYSJQ-UHFFFAOYSA-N 1 0 371.460 2.068 50 0 FEAARO CCN1CC2(CC[NH+](CCCC(N)=O)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095386582 209044685 /nfs/dbraw/zinc/04/46/85/209044685.db2.gz YUGHJZIZNUFVTM-SFHVURJKSA-N 1 0 357.498 2.370 50 0 FEAARO O=C(CCC[NH+]1CCCCC1)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000095366410 209030707 /nfs/dbraw/zinc/03/07/07/209030707.db2.gz QLAGIEICPSIZCM-UHFFFAOYSA-N 1 0 357.498 2.166 50 0 FEAARO Cc1ccc(O)c(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095367077 209031221 /nfs/dbraw/zinc/03/12/21/209031221.db2.gz CWSSKMDEHQUNLY-INIZCTEOSA-N 1 0 356.470 2.479 50 0 FEAARO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)ccc1=O ZINC000095384726 209041802 /nfs/dbraw/zinc/04/18/02/209041802.db2.gz BFKOGLIUCHJMDU-PKOBYXMFSA-N 1 0 351.450 2.122 50 0 FEAARO Cc1cc(C)c(S(=O)(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c2nonc21 ZINC000095497179 209059783 /nfs/dbraw/zinc/05/97/83/209059783.db2.gz CSVHRRYUVJPIPK-UONOGXRCSA-N 1 0 366.487 2.046 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ncc(F)cc2F)C1 ZINC000095504385 209064569 /nfs/dbraw/zinc/06/45/69/209064569.db2.gz SQVHDPZTRDGNJO-CYBMUJFWSA-N 1 0 363.412 2.138 50 0 FEAARO CCCn1ncc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095502804 209063726 /nfs/dbraw/zinc/06/37/26/209063726.db2.gz CXRPFGFQAYBGCO-KRWDZBQOSA-N 1 0 372.517 2.379 50 0 FEAARO Cn1c(CO)nnc1C1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095502870 209063744 /nfs/dbraw/zinc/06/37/44/209063744.db2.gz WMNLAACTGQKLJN-HNNXBMFYSA-N 1 0 356.470 2.128 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1COc2ccccc2C1 ZINC000095509915 209069059 /nfs/dbraw/zinc/06/90/59/209069059.db2.gz AFAAGVHINCEUSQ-GOSISDBHSA-N 1 0 351.450 2.414 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000095518188 209070652 /nfs/dbraw/zinc/07/06/52/209070652.db2.gz JBIASSOQDXWAQV-UHFFFAOYSA-N 1 0 370.490 2.226 50 0 FEAARO COc1ccc(C(=O)NCc2cc3n(n2)CC[N@H+](CC(C)C)C3)cc1F ZINC000082093417 542683229 /nfs/dbraw/zinc/68/32/29/542683229.db2.gz NBEKUTPYNHWJQI-UHFFFAOYSA-N 1 0 360.433 2.432 50 0 FEAARO CC(=O)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082128899 542685549 /nfs/dbraw/zinc/68/55/49/542685549.db2.gz KZYWGMHXXHOYQD-HXUWFJFHSA-N 1 0 357.498 2.164 50 0 FEAARO CCc1nc2c(ncnc2N2CC[NH+](CCOc3ccccc3)CC2)o1 ZINC000077517004 132188234 /nfs/dbraw/zinc/18/82/34/132188234.db2.gz YNZXWSXIUFJAEL-UHFFFAOYSA-N 1 0 353.426 2.381 50 0 FEAARO C[NH+](C)CCN1CC2(CCC1=O)CCN(c1cc(C3CC3)ncn1)CC2 ZINC000091820091 132204073 /nfs/dbraw/zinc/20/40/73/132204073.db2.gz MPUVQUUOYSGYPX-UHFFFAOYSA-N 1 0 357.502 2.125 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(CC(=O)N1CCCc3cc(C)ccc31)C2 ZINC000095359319 132207547 /nfs/dbraw/zinc/20/75/47/132207547.db2.gz KIAIKTGCMDRRFR-AZUAARDMSA-N 1 0 371.525 2.317 50 0 FEAARO Fc1ccccc1-c1noc(C[NH2+]C2CCN(c3ncccn3)CC2)n1 ZINC000095531282 132215298 /nfs/dbraw/zinc/21/52/98/132215298.db2.gz BDWFYFFZTVYUAE-UHFFFAOYSA-N 1 0 354.389 2.424 50 0 FEAARO CCN1C(=O)COc2cc(NC(=O)NCCNc3cc(C)cc[nH+]3)ccc21 ZINC000096140195 132220030 /nfs/dbraw/zinc/22/00/30/132220030.db2.gz GUCWJWHKFOZVLY-UHFFFAOYSA-N 1 0 369.425 2.369 50 0 FEAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237165926 132246921 /nfs/dbraw/zinc/24/69/21/132246921.db2.gz HOTGESYZUFHDMA-HXUWFJFHSA-N 1 0 365.477 2.196 50 0 FEAARO [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(c3ccc(Br)cn3)CC2)C1 ZINC000238036582 132248994 /nfs/dbraw/zinc/24/89/94/132248994.db2.gz YWKHADZMWBWONR-JSGCOSHPSA-N 1 0 367.291 2.010 50 0 FEAARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2nc1N1CCOCC1 ZINC000216318308 132271290 /nfs/dbraw/zinc/27/12/90/132271290.db2.gz NXTISCSPYMOACI-GOSISDBHSA-N 1 0 368.481 2.301 50 0 FEAARO Cc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3OCCO)CC2)cc1Cl ZINC000218942551 132273726 /nfs/dbraw/zinc/27/37/26/132273726.db2.gz KDTRLRIKNSSNSG-RTBURBONSA-N 1 0 368.905 2.373 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCCC[C@@H]3CCOC3)CC2)c1 ZINC000244873555 132291181 /nfs/dbraw/zinc/29/11/81/132291181.db2.gz WRZYPGNSPVIRHG-LJQANCHMSA-N 1 0 359.514 2.440 50 0 FEAARO CCN(CC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)N(CC)C(=O)CO2 ZINC000299800351 132300682 /nfs/dbraw/zinc/30/06/82/132300682.db2.gz WGNHRVOZGCHEPQ-UHFFFAOYSA-N 1 0 360.458 2.382 50 0 FEAARO O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1ccc(C[NH+]2CCCC2)o1 ZINC000299802779 132301114 /nfs/dbraw/zinc/30/11/14/132301114.db2.gz POXIAWXDQCQYSA-OAHLLOKOSA-N 1 0 355.442 2.064 50 0 FEAARO CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCC[NH+]2CCCC2)C1=O ZINC000003907345 132385950 /nfs/dbraw/zinc/38/59/50/132385950.db2.gz YVXLTGKNZYDCAC-QGZVFWFLSA-N 1 0 359.470 2.101 50 0 FEAARO Cc1ccc2c(c1)N(CCC(=O)NCCC[NH+]1CCCC1)C(=O)[C@@H](C)O2 ZINC000003907315 132385962 /nfs/dbraw/zinc/38/59/62/132385962.db2.gz RYOGKZSKMPAFAD-MRXNPFEDSA-N 1 0 359.470 2.101 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000091327189 542805729 /nfs/dbraw/zinc/80/57/29/542805729.db2.gz VZERKGPIAUWTFV-UHFFFAOYSA-N 1 0 368.481 2.080 50 0 FEAARO C[C@H]1Cc2cc(-n3ccnc3-c3cn(C4CC[NH2+]CC4)nn3)ccc2O1 ZINC000091534947 542811702 /nfs/dbraw/zinc/81/17/02/542811702.db2.gz ILUHWCZPPHDBRG-ZDUSSCGKSA-N 1 0 350.426 2.379 50 0 FEAARO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)c(OC)c1 ZINC000091552028 542812220 /nfs/dbraw/zinc/81/22/20/542812220.db2.gz YXHZUFVFRGUEBX-DOTOQJQBSA-N 1 0 374.481 2.419 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ncoc1C)CC2 ZINC000091563042 542812378 /nfs/dbraw/zinc/81/23/78/542812378.db2.gz CTINHXNGPJCFCA-UHFFFAOYSA-N 1 0 357.458 2.496 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000091547084 542812796 /nfs/dbraw/zinc/81/27/96/542812796.db2.gz POMIBIFKQZXRFC-KGLIPLIRSA-N 1 0 372.868 2.128 50 0 FEAARO COc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CO)[nH]n2)cc1 ZINC000091594627 542814985 /nfs/dbraw/zinc/81/49/85/542814985.db2.gz OIVGIHMDPJXPAK-INIZCTEOSA-N 1 0 372.469 2.052 50 0 FEAARO Cc1cccc(OCCN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)c1C ZINC000091594925 542815033 /nfs/dbraw/zinc/81/50/33/542815033.db2.gz YPJZCUHPQCLONJ-NRFANRHFSA-N 1 0 359.514 2.311 50 0 FEAARO CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CC1)c1[nH]cnc1CCN2C ZINC000091679611 542819684 /nfs/dbraw/zinc/81/96/84/542819684.db2.gz DXHBNLQLLWQZIR-UHFFFAOYSA-N 1 0 362.909 2.338 50 0 FEAARO CC1(C)CN(C(=O)c2ccc(Cl)s2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091707820 542821366 /nfs/dbraw/zinc/82/13/66/542821366.db2.gz RKSBHQXERBFEQN-KRWDZBQOSA-N 1 0 372.918 2.337 50 0 FEAARO CC[C@H](CNC(=O)c1coc(COc2ccc3c(c2)OCO3)n1)[NH+](C)C ZINC000091756507 542823464 /nfs/dbraw/zinc/82/34/64/542823464.db2.gz LTTPTJCZKZGHCZ-GFCCVEGCSA-N 1 0 361.398 2.052 50 0 FEAARO CCCN1CCC[C@@]2(CC[N@H+](Cc3cc(=O)n4c(C)cccc4n3)C2)C1=O ZINC000091754602 542823668 /nfs/dbraw/zinc/82/36/68/542823668.db2.gz DYRFFQWANVQKBW-NRFANRHFSA-N 1 0 368.481 2.227 50 0 FEAARO Cc1ccc2nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C3CCOCC3)C4)cn2c1 ZINC000091808014 542826528 /nfs/dbraw/zinc/82/65/28/542826528.db2.gz GGSHWVRGCTWBHP-FUHWJXTLSA-N 1 0 368.481 2.358 50 0 FEAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C1 ZINC000091830515 542827719 /nfs/dbraw/zinc/82/77/19/542827719.db2.gz GZGOYSOSTLVVOR-LJQANCHMSA-N 1 0 367.497 2.374 50 0 FEAARO Cc1ccc(C)c(N2N=C(C(=O)NCC(C)(C)C[NH+](C)C)CCC2=O)c1 ZINC000040159682 136119561 /nfs/dbraw/zinc/11/95/61/136119561.db2.gz VZXYHYBRYYCLEX-UHFFFAOYSA-N 1 0 358.486 2.490 50 0 FEAARO c1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c2c(c1)OCCCO2 ZINC000048711249 136123704 /nfs/dbraw/zinc/12/37/04/136123704.db2.gz FWTRWEQKBDNKLM-UHFFFAOYSA-N 1 0 355.438 2.369 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccco1 ZINC000058180808 136130758 /nfs/dbraw/zinc/13/07/58/136130758.db2.gz RDOONYOUTKUCDA-SJORKVTESA-N 1 0 371.485 2.485 50 0 FEAARO COc1ccc(-n2ccnc2C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000064609661 136133466 /nfs/dbraw/zinc/13/34/66/136133466.db2.gz QJHIUPVMCFEYKO-MRXNPFEDSA-N 1 0 364.453 2.430 50 0 FEAARO Cc1nccc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071416229 136139124 /nfs/dbraw/zinc/13/91/24/136139124.db2.gz DEUCXTHKJUPPGQ-KRWDZBQOSA-N 1 0 357.502 2.088 50 0 FEAARO COc1ccc(Cc2noc(-c3ccc(N4CC[NH2+]CC4)nc3)n2)cc1 ZINC000072120679 136141949 /nfs/dbraw/zinc/14/19/49/136141949.db2.gz GRZUPGBRKFSIMZ-UHFFFAOYSA-N 1 0 351.410 2.141 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cccc(C(F)(F)F)n3)CC[C@H]21 ZINC000072423287 136146230 /nfs/dbraw/zinc/14/62/30/136146230.db2.gz UJSMDSYTZWMSGF-QWHCGFSZSA-N 1 0 356.392 2.137 50 0 FEAARO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000094541384 542955526 /nfs/dbraw/zinc/95/55/26/542955526.db2.gz XNTLDGOMHINCRE-VIFPVBQESA-N 1 0 353.307 2.192 50 0 FEAARO CC(C)C[N@@H+]1CCN(Cc2sc(N(C)C)nc2Cl)C[C@H]1CCO ZINC000104461365 543132312 /nfs/dbraw/zinc/13/23/12/543132312.db2.gz WOQMEYOTMWVGCC-CYBMUJFWSA-N 1 0 360.955 2.387 50 0 FEAARO CC(C)n1ccnc1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000108032121 543282181 /nfs/dbraw/zinc/28/21/81/543282181.db2.gz YSTRASOCCHCGBD-OAQYLSRUSA-N 1 0 373.545 2.373 50 0 FEAARO O=C(Cc1ccoc1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000121866513 543700493 /nfs/dbraw/zinc/70/04/93/543700493.db2.gz ZPUFNVOUGUMZEM-LJQANCHMSA-N 1 0 368.481 2.278 50 0 FEAARO Cc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)nn1-c1ccc(F)cc1F ZINC000120000813 543674615 /nfs/dbraw/zinc/67/46/15/543674615.db2.gz XYXCZAIBYJPHKI-UHFFFAOYSA-N 1 0 374.395 2.469 50 0 FEAARO Cc1ccsc1C[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000130594335 544157352 /nfs/dbraw/zinc/15/73/52/544157352.db2.gz VDVQWARSNPBCRO-UHFFFAOYSA-N 1 0 358.529 2.119 50 0 FEAARO O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@H]1C[NH2+]CCO1 ZINC000150784739 263456032 /nfs/dbraw/zinc/45/60/32/263456032.db2.gz GJXBEGHEYXZDAA-CYBMUJFWSA-N 1 0 355.225 2.165 50 0 FEAARO COCCN(Cc1c(C)nn(C)c1C)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426425443 263587106 /nfs/dbraw/zinc/58/71/06/263587106.db2.gz OCLZZWSGAFDLHM-QGZVFWFLSA-N 1 0 365.522 2.069 50 0 FEAARO O=C(NCc1ccccn1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000426477646 263599019 /nfs/dbraw/zinc/59/90/19/263599019.db2.gz BMKGVKYARGELKR-HXUWFJFHSA-N 1 0 350.466 2.466 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc(-c2ncccc2F)cc1 ZINC000426623140 263645359 /nfs/dbraw/zinc/64/53/59/263645359.db2.gz ZLKBQZAWUDKADZ-QGZVFWFLSA-N 1 0 357.429 2.464 50 0 FEAARO CCN(C)c1ccc(C(=O)N2CCC([N@H+](C)CC(=O)NC(C)C)CC2)cc1 ZINC000089960879 520275103 /nfs/dbraw/zinc/27/51/03/520275103.db2.gz OPMLZYKZLKJOKJ-UHFFFAOYSA-N 1 0 374.529 2.204 50 0 FEAARO CC[NH+]1CCN(Cc2nc(N)nc(Nc3cccc(Cl)c3C)n2)CC1 ZINC000019944465 521690014 /nfs/dbraw/zinc/69/00/14/521690014.db2.gz AWEYESSOFSVESX-UHFFFAOYSA-N 1 0 361.881 2.297 50 0 FEAARO COc1cc(COC[C@H](O)C[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000248029111 522499689 /nfs/dbraw/zinc/49/96/89/522499689.db2.gz NSGAMEJUVFZLSE-GDBMZVCRSA-N 1 0 353.459 2.464 50 0 FEAARO CC[C@@H](C[NH+](C)C)NC(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000091691710 522527710 /nfs/dbraw/zinc/52/77/10/522527710.db2.gz XPRPVWGRJYRQEG-LBPRGKRZSA-N 1 0 361.398 2.052 50 0 FEAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccn(C)c(=O)c1 ZINC000082108574 522662403 /nfs/dbraw/zinc/66/24/03/522662403.db2.gz BZAJZYQRZKTTIR-UHFFFAOYSA-N 1 0 353.466 2.370 50 0 FEAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCOCC2)cc1 ZINC000020994505 523342236 /nfs/dbraw/zinc/34/22/36/523342236.db2.gz OUEHJSPIMWRUKV-OAQYLSRUSA-N 1 0 370.493 2.391 50 0 FEAARO COc1ccc(/C=C/C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000083957525 523390153 /nfs/dbraw/zinc/39/01/53/523390153.db2.gz XPNGDYDQPWDLSJ-SYJIQKIWSA-N 1 0 362.470 2.070 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccccn2)CC1 ZINC000096162588 523812831 /nfs/dbraw/zinc/81/28/31/523812831.db2.gz QTEGPXSZNIGIEY-SFHVURJKSA-N 1 0 361.486 2.061 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCn2cccn2)C3)cc1 ZINC000091381689 524042401 /nfs/dbraw/zinc/04/24/01/524042401.db2.gz RZJKDHNDVDMRDR-RBUKOAKNSA-N 1 0 368.481 2.405 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)CCn3nc(C)c(C)c3C)C[C@@H]2[NH3+])c1 ZINC000091664621 524179825 /nfs/dbraw/zinc/17/98/25/524179825.db2.gz YMGCEIAEUUSXJE-MOPGFXCFSA-N 1 0 356.470 2.160 50 0 FEAARO COc1ccccc1CCC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091288838 524395901 /nfs/dbraw/zinc/39/59/01/524395901.db2.gz PKAOLOAJBGFUIS-RTBURBONSA-N 1 0 360.498 2.181 50 0 FEAARO Cc1cc(C)nc(-n2cc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)c(C(C)C)n2)n1 ZINC000153581242 524574512 /nfs/dbraw/zinc/57/45/12/524574512.db2.gz BWFXHXDWWMIOTB-GJZGRUSLSA-N 1 0 356.474 2.225 50 0 FEAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N([C@H]4CC[C@H](O)CC4)C3)CC2)on1 ZINC000244734685 524677902 /nfs/dbraw/zinc/67/79/02/524677902.db2.gz NKBKWJLPFDEUDX-QAQDUYKDSA-N 1 0 361.486 2.491 50 0 FEAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000082126506 525398963 /nfs/dbraw/zinc/39/89/63/525398963.db2.gz NILXKEKFKCNOEC-UHFFFAOYSA-N 1 0 350.426 2.005 50 0 FEAARO Cc1[nH]c2c(c1CC(=O)NCC[N@@H+]1CCC[C@@H](CO)C1)c(C)ccc2C ZINC000091690553 525415850 /nfs/dbraw/zinc/41/58/50/525415850.db2.gz WXMOZWAUVQHSEE-QGZVFWFLSA-N 1 0 357.498 2.456 50 0 FEAARO CSCC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000156176807 525543208 /nfs/dbraw/zinc/54/32/08/525543208.db2.gz DHGORXILKHWLJL-KGLIPLIRSA-N 1 0 373.316 2.429 50 0 FEAARO Cc1c(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)oc2c1C(=O)CCC2 ZINC000089568158 525553870 /nfs/dbraw/zinc/55/38/70/525553870.db2.gz HIYDGNLRUXFCJN-CYBMUJFWSA-N 1 0 362.470 2.272 50 0 FEAARO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)nnn1C1CC[NH2+]CC1 ZINC000150872052 525647355 /nfs/dbraw/zinc/64/73/55/525647355.db2.gz RDQBLTAEEOKJKS-STQMWFEESA-N 1 0 359.396 2.362 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1ccc(CO)o1 ZINC000082126237 526645381 /nfs/dbraw/zinc/64/53/81/526645381.db2.gz WCFJYGUSMJZSEE-UHFFFAOYSA-N 1 0 372.469 2.437 50 0 FEAARO O=C1CCC2(CC[NH+](Cc3ccccc3OCCO)CC2)CN1C1CC1 ZINC000091536752 526964550 /nfs/dbraw/zinc/96/45/50/526964550.db2.gz XURLHGKNOLIDKG-UHFFFAOYSA-N 1 0 358.482 2.425 50 0 FEAARO O=C(C[C@H](c1ccco1)c1ccccc1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082097472 527149638 /nfs/dbraw/zinc/14/96/38/527149638.db2.gz KOQBPADIWZICTR-SFHVURJKSA-N 1 0 350.422 2.418 50 0 FEAARO Cn1cccc1-c1cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)[nH]n1 ZINC000091351086 527383215 /nfs/dbraw/zinc/38/32/15/527383215.db2.gz MUBSGAYONJIQDJ-UHFFFAOYSA-N 1 0 359.499 2.069 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCC(c4ccncc4)CC3)nn2)CC1 ZINC000252675905 527413035 /nfs/dbraw/zinc/41/30/35/527413035.db2.gz VKFZSSAYDMJARC-CALCHBBNSA-N 1 0 354.458 2.135 50 0 FEAARO OCCc1cn(C[C@H]2CCC[N@H+](Cc3nc4ccccc4s3)C2)nn1 ZINC000020783932 527574629 /nfs/dbraw/zinc/57/46/29/527574629.db2.gz XVBKEADKZYOTGR-AWEZNQCLSA-N 1 0 357.483 2.335 50 0 FEAARO CCNc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)nc(C)[nH+]1 ZINC000077128459 535522406 /nfs/dbraw/zinc/52/24/06/535522406.db2.gz DACCTXPOUAYBHO-OAHLLOKOSA-N 1 0 369.469 2.333 50 0 FEAARO CN(C)CC[NH2+]Cc1cc2ccc(F)cc2nc1N1CCC[C@@H](CO)C1 ZINC000299771830 535891766 /nfs/dbraw/zinc/89/17/66/535891766.db2.gz YWTFUOFBBZSUTI-OAHLLOKOSA-N 1 0 360.477 2.234 50 0 FEAARO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cn1 ZINC000225802250 535995053 /nfs/dbraw/zinc/99/50/53/535995053.db2.gz AMBKNLKKBDPTTD-UHFFFAOYSA-N 1 0 359.861 2.154 50 0 FEAARO CCCNC(=O)CN1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000161634216 546132789 /nfs/dbraw/zinc/13/27/89/546132789.db2.gz XLIFWGGKNKNXGV-UHFFFAOYSA-N 1 0 359.514 2.480 50 0 FEAARO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2csc(C(F)(F)F)n2)CC1 ZINC000170608060 546164475 /nfs/dbraw/zinc/16/44/75/546164475.db2.gz FRBWBHNWPKRKKY-NSHDSACASA-N 1 0 364.437 2.165 50 0 FEAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000171239869 546199297 /nfs/dbraw/zinc/19/92/97/546199297.db2.gz GGKHGNDSFSDSLG-GOSISDBHSA-N 1 0 360.502 2.007 50 0 FEAARO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc(F)cc2OCC2CC2)CCO1 ZINC000176421258 546443346 /nfs/dbraw/zinc/44/33/46/546443346.db2.gz FDNAAROSQRQRBL-HNNXBMFYSA-N 1 0 351.422 2.409 50 0 FEAARO CC[NH+]1CCC(CCNS(=O)(=O)Cc2noc3ccccc23)CC1 ZINC000185847905 548044566 /nfs/dbraw/zinc/04/45/66/548044566.db2.gz FUUMQVWKFPRAHR-UHFFFAOYSA-N 1 0 351.472 2.369 50 0 FEAARO CCc1nnc(C2CCN(C(=O)c3ccccc3OCC[NH+](C)C)CC2)[nH]1 ZINC000191554143 548346918 /nfs/dbraw/zinc/34/69/18/548346918.db2.gz CDHWJGLGSIYESG-UHFFFAOYSA-N 1 0 371.485 2.327 50 0 FEAARO Cc1cnccc1C[N@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000215677355 548672739 /nfs/dbraw/zinc/67/27/39/548672739.db2.gz VORJBRYHLPROJP-UHFFFAOYSA-N 1 0 369.465 2.260 50 0 FEAARO Fc1ccccc1-c1ccc(CN2CCN(CCn3cncn3)CC2)o1 ZINC000215815313 548674335 /nfs/dbraw/zinc/67/43/35/548674335.db2.gz GQPADSSDFCZDRY-UHFFFAOYSA-N 1 0 355.417 2.495 50 0 FEAARO CC(C)c1cc(C(=O)NC2CC[NH+](Cc3ccco3)CC2)nc2ncnn21 ZINC000216549075 548678515 /nfs/dbraw/zinc/67/85/15/548678515.db2.gz XVAYNFNEGYOOND-UHFFFAOYSA-N 1 0 368.441 2.235 50 0 FEAARO O=C(Cn1ccnc1-c1ccccc1)NCc1ccccc1-n1cncn1 ZINC000221257717 548704396 /nfs/dbraw/zinc/70/43/96/548704396.db2.gz FZQJUTJWJCCNKR-UHFFFAOYSA-N 1 0 358.405 2.447 50 0 FEAARO CCn1ccc2cc(C(=O)N[C@@H]3COCC[C@@H]3OCC[NH+](C)C)ccc21 ZINC000222415627 548707785 /nfs/dbraw/zinc/70/77/85/548707785.db2.gz JQWCUHPXNFQWRX-MJGOQNOKSA-N 1 0 359.470 2.127 50 0 FEAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCCN(c2ncccn2)CC1 ZINC000223683809 548723492 /nfs/dbraw/zinc/72/34/92/548723492.db2.gz ZMIPQVWMEWHGMV-IBGZPJMESA-N 1 0 365.481 2.180 50 0 FEAARO CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]([NH3+])C3)cc2c1C ZINC000225424751 548733718 /nfs/dbraw/zinc/73/37/18/548733718.db2.gz HMZYYIIMOBZMRK-GFCCVEGCSA-N 1 0 366.439 2.030 50 0 FEAARO COc1ccccc1OCC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225569770 548738181 /nfs/dbraw/zinc/73/81/81/548738181.db2.gz SBIKDWFRNNWZKP-MRXNPFEDSA-N 1 0 364.511 2.408 50 0 FEAARO COc1cc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)ccc1C ZINC000241383364 548884843 /nfs/dbraw/zinc/88/48/43/548884843.db2.gz MURQLQFJOMBWMM-UHFFFAOYSA-N 1 0 356.470 2.379 50 0 FEAARO Cc1ncsc1CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000240897343 548884956 /nfs/dbraw/zinc/88/49/56/548884956.db2.gz ISHRVPJTJFLFMU-KBPBESRZSA-N 1 0 359.561 2.281 50 0 FEAARO Clc1cnn(CC[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)c1 ZINC000244678739 548892799 /nfs/dbraw/zinc/89/27/99/548892799.db2.gz IIZYPFUBWWKSRH-UHFFFAOYSA-N 1 0 356.861 2.277 50 0 FEAARO CN1C(=O)CCC12CC[NH+](C[C@@H]1CN(Cc3ccccc3)CCCO1)CC2 ZINC000244811542 548895595 /nfs/dbraw/zinc/89/55/95/548895595.db2.gz SGNQBOBQPCKCII-HXUWFJFHSA-N 1 0 371.525 2.364 50 0 FEAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000244816901 548895844 /nfs/dbraw/zinc/89/58/44/548895844.db2.gz SQMXUKUOBVVOKQ-SFHVURJKSA-N 1 0 369.469 2.387 50 0 FEAARO Cc1cccc(-c2n[nH]cc2C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000244852542 548897329 /nfs/dbraw/zinc/89/73/29/548897329.db2.gz UUHLJZQNLZJBRV-UHFFFAOYSA-N 1 0 367.497 2.237 50 0 FEAARO COCCn1c(CNCc2cc3ccccc3o2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244874789 548898387 /nfs/dbraw/zinc/89/83/87/548898387.db2.gz XHISLTMNWZLNPX-SHTZXODSSA-N 1 0 355.442 2.165 50 0 FEAARO [NH3+]Cc1cccc(C(=O)Nc2ccc3[nH]c(CN4CCOCC4)nc3c2)c1 ZINC000252490181 549668799 /nfs/dbraw/zinc/66/87/99/549668799.db2.gz KLGMXYMIALUTAH-UHFFFAOYSA-N 1 0 365.437 2.106 50 0 FEAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)C(=O)Nc1ccccc1 ZINC000252571476 549674805 /nfs/dbraw/zinc/67/48/05/549674805.db2.gz XZQQWTLPBAFUEA-UHFFFAOYSA-N 1 0 361.511 2.349 50 0 FEAARO CCC(CC)NC(=O)[C@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257182894 549712308 /nfs/dbraw/zinc/71/23/08/549712308.db2.gz QKXMQIPOKXAVKR-SFHVURJKSA-N 1 0 374.529 2.495 50 0 FEAARO C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)CC1 ZINC000283390541 551358524 /nfs/dbraw/zinc/35/85/24/551358524.db2.gz APGOORHEXOJDKQ-IBGZPJMESA-N 1 0 374.529 2.005 50 0 FEAARO CSCC[NH+]1CCC(NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000299760049 553610769 /nfs/dbraw/zinc/61/07/69/553610769.db2.gz ULZRZGQWDHHMTJ-UHFFFAOYSA-N 1 0 370.906 2.388 50 0 FEAARO CCOc1cc(C[NH+]2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)ccc1O ZINC000299756495 553611093 /nfs/dbraw/zinc/61/10/93/553611093.db2.gz GAXIZGFMRZFFQB-KRWDZBQOSA-N 1 0 362.470 2.441 50 0 FEAARO COc1cccc(-c2cccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2)c1 ZINC000299782112 553614002 /nfs/dbraw/zinc/61/40/02/553614002.db2.gz FPJZTERHTOSFDI-FQEVSTJZSA-N 1 0 365.477 2.482 50 0 FEAARO C[C@H](NC(=O)CSCC[NH+]1CCCC1)c1nc(-c2ccncc2)no1 ZINC000299788111 553614277 /nfs/dbraw/zinc/61/42/77/553614277.db2.gz WPOHMEQSSLAIKW-ZDUSSCGKSA-N 1 0 361.471 2.138 50 0 FEAARO C[C@@H](NC(=O)CSCC[NH+]1CCCC1)c1nc(-c2ccncc2)no1 ZINC000299788107 553614698 /nfs/dbraw/zinc/61/46/98/553614698.db2.gz WPOHMEQSSLAIKW-CYBMUJFWSA-N 1 0 361.471 2.138 50 0 FEAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1nc2c(s1)CCC2 ZINC000299785661 553614704 /nfs/dbraw/zinc/61/47/04/553614704.db2.gz LFMNVQQNMCBBAY-CQSZACIVSA-N 1 0 354.479 2.342 50 0 FEAARO O=C(NCC[NH+]1CCC(CO)CC1)c1ccc(N2CCCC2)c(Cl)c1 ZINC000299786585 553614727 /nfs/dbraw/zinc/61/47/27/553614727.db2.gz VZOGFKJWMXLJRC-UHFFFAOYSA-N 1 0 365.905 2.374 50 0 FEAARO CN(C)C(=O)c1cccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000299801486 553616724 /nfs/dbraw/zinc/61/67/24/553616724.db2.gz YSQQATLFDMQZJK-SFHVURJKSA-N 1 0 374.485 2.153 50 0 FEAARO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)[NH+]1CCCCC1 ZINC000329208429 553902728 /nfs/dbraw/zinc/90/27/28/553902728.db2.gz XYNXPAGWUUPMQO-XFKSJGNHSA-N 1 0 352.519 2.275 50 0 FEAARO CO[C@]12CCN(C(=O)C3CC[NH+](C)CC3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426488475 559735477 /nfs/dbraw/zinc/73/54/77/559735477.db2.gz ROCZFAQNIOOJKF-BBTUJRGHSA-N 1 0 373.497 2.341 50 0 FEAARO O=C(NCc1cnc2ccccc2c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000426511855 559736379 /nfs/dbraw/zinc/73/63/79/559736379.db2.gz XUHPNYDJPPLGHI-QGZVFWFLSA-N 1 0 368.481 2.489 50 0 FEAARO Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)o2)n1 ZINC000426555643 559737754 /nfs/dbraw/zinc/73/77/54/559737754.db2.gz OEMCHJICTAUJOQ-STQMWFEESA-N 1 0 364.446 2.409 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)NCc3cnc4ccccc4c3)CC2)CC1 ZINC000426584837 559738358 /nfs/dbraw/zinc/73/83/58/559738358.db2.gz RHVUEPYXYATSRL-UHFFFAOYSA-N 1 0 367.497 2.156 50 0 FEAARO NC(=O)[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-c3ccsc3)cc2)C1 ZINC000426632811 559739346 /nfs/dbraw/zinc/73/93/46/559739346.db2.gz AKZOTXJLNYWPMW-INIZCTEOSA-N 1 0 357.479 2.342 50 0 FEAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](CC(=O)NC4CC4)C3)C2=O)c1 ZINC000426662362 559739690 /nfs/dbraw/zinc/73/96/90/559739690.db2.gz VGZKTRYDTZEBPJ-NRFANRHFSA-N 1 0 355.482 2.088 50 0 FEAARO Cc1ccc2[nH]c(CN(C)C(=O)NCC[C@@H](C)[NH+]3CCN(C)CC3)nc2c1 ZINC000534649918 562539239 /nfs/dbraw/zinc/53/92/39/562539239.db2.gz QHIXGYFJCSDEQS-MRXNPFEDSA-N 1 0 372.517 2.039 50 0 FEAARO COc1ccc(Cl)cc1CN(C)C(=O)NCC[NH+]1CCC(CO)CC1 ZINC000534652439 562539384 /nfs/dbraw/zinc/53/93/84/562539384.db2.gz ZOGISQGGPMNOIA-UHFFFAOYSA-N 1 0 369.893 2.194 50 0 FEAARO COc1cccc(CN2CCN(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000534673596 562540081 /nfs/dbraw/zinc/54/00/81/562540081.db2.gz HWUMZCOQIQZTLZ-SFHVURJKSA-N 1 0 374.529 2.397 50 0 FEAARO CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCCC1CC[NH+](C)CC1)C2 ZINC000075877407 570620145 /nfs/dbraw/zinc/62/01/45/570620145.db2.gz PAPNLPATGBSGKD-KRWDZBQOSA-N 1 0 373.545 2.276 50 0 FEAARO C[NH2+]C1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)CC1 ZINC000179140058 570628533 /nfs/dbraw/zinc/62/85/33/570628533.db2.gz TWQIRXCPGYHYOI-UHFFFAOYSA-N 1 0 367.449 2.189 50 0 FEAARO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)ccc1-n1cncn1 ZINC000583618865 570808281 /nfs/dbraw/zinc/80/82/81/570808281.db2.gz UJFKDBOBXCLESM-RLLQIKCJSA-N 1 0 356.470 2.328 50 0 FEAARO O=S(=O)(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OC(F)(F)F)cc1 ZINC000046036434 570922187 /nfs/dbraw/zinc/92/21/87/570922187.db2.gz OVGSVJRJRHSVLN-ZIAGYGMSSA-N 1 0 364.389 2.490 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000112511363 570959196 /nfs/dbraw/zinc/95/91/96/570959196.db2.gz KYPKJZWNIHVABB-MNOVXSKESA-N 1 0 352.378 2.333 50 0 FEAARO O=S1(=O)CC[C@@H](CCN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)C1 ZINC000670473432 571054988 /nfs/dbraw/zinc/05/49/88/571054988.db2.gz MAYJTOZZIRHFHP-YDGYHQHPSA-N 1 0 366.571 2.254 50 0 FEAARO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000659355993 571165497 /nfs/dbraw/zinc/16/54/97/571165497.db2.gz XWKRJKHBJDIQNV-IRXDYDNUSA-N 1 0 356.397 2.472 50 0 FEAARO C[NH2+]Cc1nnc(SCc2c(F)c(F)c(OC)c(F)c2F)n1C ZINC000426395164 571219249 /nfs/dbraw/zinc/21/92/49/571219249.db2.gz KFVMAUUUOMWVKD-UHFFFAOYSA-N 1 0 350.341 2.392 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000584888614 571314260 /nfs/dbraw/zinc/31/42/60/571314260.db2.gz PULLFJDBEBOPKU-GOSISDBHSA-N 1 0 374.529 2.340 50 0 FEAARO C[N@H+](Cc1ccccc1)C1CCN(C(=O)NCCC(=O)N2CCCC2)CC1 ZINC000584890181 571314367 /nfs/dbraw/zinc/31/43/67/571314367.db2.gz CCXSAUBRHPQUAJ-UHFFFAOYSA-N 1 0 372.513 2.305 50 0 FEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3cnc4ncnn4c3)c1)C2 ZINC000584899823 571316050 /nfs/dbraw/zinc/31/60/50/571316050.db2.gz UBUCEFDHANSEOS-ZWKOTPCHSA-N 1 0 362.437 2.100 50 0 FEAARO Cc1nc2ncccn2c1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077440147 670564309 /nfs/dbraw/zinc/56/43/09/670564309.db2.gz DOBDXTXBCIOUHV-UHFFFAOYSA-N 1 0 355.467 2.447 50 0 FEAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCC3(CC1)OCCO3)c(C)n2C ZINC000002262480 539347164 /nfs/dbraw/zinc/34/71/64/539347164.db2.gz KRZAZGHRYXVEHZ-GOSISDBHSA-N 1 0 360.454 2.368 50 0 FEAARO CCn1c2ccccc2c2cc(NC(=O)C(=O)NCC[NH+](C)C)ccc21 ZINC000002380058 539347460 /nfs/dbraw/zinc/34/74/60/539347460.db2.gz BYDUTCBKBFNOSP-UHFFFAOYSA-N 1 0 352.438 2.431 50 0 FEAARO CC[NH+](CC)CCCNC(=O)CCn1nc(-c2ccccc2)ccc1=O ZINC000003010138 539358737 /nfs/dbraw/zinc/35/87/37/539358737.db2.gz HYJLKYYEJKOSJX-UHFFFAOYSA-N 1 0 356.470 2.149 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([N@@H+](C)C(C)C)CC2)cc1 ZINC000003042006 539358995 /nfs/dbraw/zinc/35/89/95/539358995.db2.gz LNJBWAJDCOSQCU-UHFFFAOYSA-N 1 0 353.488 2.138 50 0 FEAARO CS(=O)(=O)c1ccc([C@]2(O)Cc3cccc[n+]3[C@H]2c2ccccc2)cc1 ZINC000003098857 539359730 /nfs/dbraw/zinc/35/97/30/539359730.db2.gz LVIWXYDETRIGBP-LEWJYISDSA-N 1 0 366.462 2.411 50 0 FEAARO C[C@H](CC(=O)NCC[NH+](C)C)CC(=O)Nc1cccc(Br)c1 ZINC000004691046 539390534 /nfs/dbraw/zinc/39/05/34/539390534.db2.gz JEEXGNCMWUUIBC-GFCCVEGCSA-N 1 0 370.291 2.482 50 0 FEAARO COc1ccc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)c(OC)c1 ZINC000005432852 539411077 /nfs/dbraw/zinc/41/10/77/539411077.db2.gz LYKMEDIGKQYMNV-GOSISDBHSA-N 1 0 362.470 2.211 50 0 FEAARO C[N@@H+]1CCN2c3ccccc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@H]2C1 ZINC000009087313 539498031 /nfs/dbraw/zinc/49/80/31/539498031.db2.gz NSWSAHFNABCYGA-FOIQADDNSA-N 1 0 370.453 2.067 50 0 FEAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000009595490 539504761 /nfs/dbraw/zinc/50/47/61/539504761.db2.gz RJINPVDNXGHIQD-CVEARBPZSA-N 1 0 358.486 2.201 50 0 FEAARO COc1ccc(NC(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1 ZINC000009620802 539505787 /nfs/dbraw/zinc/50/57/87/539505787.db2.gz FZQJMDHSFRKMES-UHFFFAOYSA-N 1 0 370.457 2.214 50 0 FEAARO CN(C)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012595137 539566946 /nfs/dbraw/zinc/56/69/46/539566946.db2.gz IAHZDGGXOWRWNE-AWEZNQCLSA-N 1 0 351.472 2.041 50 0 FEAARO O=C(CCCN1CCCC1=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012748088 539571687 /nfs/dbraw/zinc/57/16/87/539571687.db2.gz WBDKMEORFGWIEG-LJQANCHMSA-N 1 0 357.498 2.212 50 0 FEAARO CC[NH+]1CCN(c2nc3nccnc3c(Nc3ccc(F)cc3)n2)CC1 ZINC000013010634 539582600 /nfs/dbraw/zinc/58/26/00/539582600.db2.gz HHOWQECDSHBVNY-UHFFFAOYSA-N 1 0 353.405 2.444 50 0 FEAARO COc1ccc(S(=O)(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000013613003 539588727 /nfs/dbraw/zinc/58/87/27/539588727.db2.gz FWHCDOFXYSXJHL-GASCZTMLSA-N 1 0 370.515 2.350 50 0 FEAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCOC ZINC000014747441 539605202 /nfs/dbraw/zinc/60/52/02/539605202.db2.gz FVJDJBCXNBHWSF-INIZCTEOSA-N 1 0 374.485 2.125 50 0 FEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC000014979162 539607924 /nfs/dbraw/zinc/60/79/24/539607924.db2.gz DHJSYCXJVONKRK-QGZVFWFLSA-N 1 0 371.522 2.171 50 0 FEAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1CCCN1CCOCC1 ZINC000014988433 539609566 /nfs/dbraw/zinc/60/95/66/539609566.db2.gz XYJDBFDLJIBWFX-LJQANCHMSA-N 1 0 363.477 2.019 50 0 FEAARO Cc1ccccc1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017317394 539641370 /nfs/dbraw/zinc/64/13/70/539641370.db2.gz LHSYNGBIHMNIAN-UHFFFAOYSA-N 1 0 360.479 2.306 50 0 FEAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ncc[nH]3)C2)CC1 ZINC000020149207 539672453 /nfs/dbraw/zinc/67/24/53/539672453.db2.gz HGCBOHQWYUJMFU-QGZVFWFLSA-N 1 0 355.486 2.205 50 0 FEAARO CCCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)C(C)(C)O)CC2)[C@H]1O ZINC000020201287 539673337 /nfs/dbraw/zinc/67/33/37/539673337.db2.gz VLPREGDBUGBDHA-MOPGFXCFSA-N 1 0 374.525 2.465 50 0 FEAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2OC)N2CC[NH+](C)CC2)c1=O ZINC000022696915 539697202 /nfs/dbraw/zinc/69/72/02/539697202.db2.gz SCBSMYWHCDRROE-HXUWFJFHSA-N 1 0 371.481 2.228 50 0 FEAARO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000022730352 539698105 /nfs/dbraw/zinc/69/81/05/539698105.db2.gz QZTSCSVSUHJRCC-OLZOCXBDSA-N 1 0 351.447 2.225 50 0 FEAARO CCc1[nH]c2c(cc(F)cc2CNC(=O)C[C@H]2CN(C)CC[N@@H+]2C)c1C ZINC000023374078 539713527 /nfs/dbraw/zinc/71/35/27/539713527.db2.gz ASHKGAKXSBJBMQ-INIZCTEOSA-N 1 0 360.477 2.430 50 0 FEAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000025413256 539759641 /nfs/dbraw/zinc/75/96/41/539759641.db2.gz CBIYNIISAKDDAK-KSZLIROESA-N 1 0 359.514 2.265 50 0 FEAARO COc1ccccc1N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000025330372 539756230 /nfs/dbraw/zinc/75/62/30/539756230.db2.gz UERWNQFOMHNDAG-INIZCTEOSA-N 1 0 362.495 2.456 50 0 FEAARO COc1ccccc1OCC(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225569748 209821486 /nfs/dbraw/zinc/82/14/86/209821486.db2.gz SBIKDWFRNNWZKP-INIZCTEOSA-N 1 0 364.511 2.408 50 0 FEAARO C[C@@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC(=O)NC(C)(C)C ZINC000028889974 539838918 /nfs/dbraw/zinc/83/89/18/539838918.db2.gz FBBANGBXLHOXLW-CQSZACIVSA-N 1 0 357.458 2.034 50 0 FEAARO NC(=O)C1CC[NH+](CCCCNC(=O)c2csc3c2CCCC3)CC1 ZINC000032915968 539959595 /nfs/dbraw/zinc/95/95/95/539959595.db2.gz QYLCPNCYTZNRIK-UHFFFAOYSA-N 1 0 363.527 2.334 50 0 FEAARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1ccco1 ZINC000033538521 539974511 /nfs/dbraw/zinc/97/45/11/539974511.db2.gz ZABTXXOBJAWKDY-ZPUOCTKUSA-N 1 0 356.378 2.412 50 0 FEAARO COCc1nc(NCc2ccc(-n3cncn3)cc2)cc(C2CC([NH3+])C2)n1 ZINC000222848977 209740099 /nfs/dbraw/zinc/74/00/99/209740099.db2.gz JAIRUHJADWMRNY-UHFFFAOYSA-N 1 0 365.441 2.021 50 0 FEAARO O=C(C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000052929532 540500358 /nfs/dbraw/zinc/50/03/58/540500358.db2.gz FJQHNQMZQRWMAE-ICSRJNTNSA-N 1 0 369.509 2.418 50 0 FEAARO C[C@@H]1C[NH+](Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@@H](C)O1 ZINC000055869921 540682937 /nfs/dbraw/zinc/68/29/37/540682937.db2.gz YXYSJSRRAMGIAV-CHWSQXEVSA-N 1 0 359.392 2.386 50 0 FEAARO COc1ccc([C@H](CNc2nn3c(nc(C)cc3=O)s2)[NH+](C)C)cc1 ZINC000058079686 540828562 /nfs/dbraw/zinc/82/85/62/540828562.db2.gz UZHNYXQIPCPUHP-AWEZNQCLSA-N 1 0 359.455 2.183 50 0 FEAARO [NH3+][C@H]1CCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000238056735 209358501 /nfs/dbraw/zinc/35/85/01/209358501.db2.gz RJYZSACUMQEIOT-AWEZNQCLSA-N 1 0 353.260 2.057 50 0 FEAARO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000238052362 209358094 /nfs/dbraw/zinc/35/80/94/209358094.db2.gz OKROYYBFRIWKLN-QGZVFWFLSA-N 1 0 358.463 2.224 50 0 FEAARO Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)s2)cc1Cl ZINC000237830364 209354610 /nfs/dbraw/zinc/35/46/10/209354610.db2.gz RUHLDIQIPRHWKY-SMDDNHRTSA-N 1 0 351.859 2.357 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC000237570958 209349620 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Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCc3cscn3)C2=O)c1 ZINC000067694545 541500355 /nfs/dbraw/zinc/50/03/55/541500355.db2.gz FKVGLYUFZMZIIT-LJQANCHMSA-N 1 0 359.495 2.137 50 0 FEAARO CN(Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)no1)Cc1ccccc1 ZINC000067713377 541504108 /nfs/dbraw/zinc/50/41/08/541504108.db2.gz AYGHNIHLUVRWKG-QGZVFWFLSA-N 1 0 356.470 2.473 50 0 FEAARO Cc1nn(-c2nn[nH]n2)c(C)c1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000067714302 541504263 /nfs/dbraw/zinc/50/42/63/541504263.db2.gz ZXWMEVOKQAEGIP-ZDUSSCGKSA-N 1 0 353.430 2.062 50 0 FEAARO C[C@H](Sc1ccccn1)C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067817210 541517011 /nfs/dbraw/zinc/51/70/11/541517011.db2.gz PSTAUOVDYTWTQG-INIZCTEOSA-N 1 0 362.543 2.191 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3ccccc3)C2=O)c1 ZINC000067833752 541518833 /nfs/dbraw/zinc/51/88/33/541518833.db2.gz GQPUZBUNUOPZLJ-NRFANRHFSA-N 1 0 372.440 2.478 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3cc(C4CC4)n[nH]3)cnn2c1 ZINC000067842594 541520254 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2.410 50 0 FEAARO O=C1[C@H]2CC[C@H](C[N@@H+](C3CSCCSC3)C2)N1Cc1ccccn1 ZINC000091914636 209003402 /nfs/dbraw/zinc/00/34/02/209003402.db2.gz YGTPLDXTPDUTPI-GOEBONIOSA-N 1 0 363.552 2.353 50 0 FEAARO NC(=O)CN1CCC([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000095996251 209095551 /nfs/dbraw/zinc/09/55/51/209095551.db2.gz JBRQROBROSIFLL-NRFANRHFSA-N 1 0 364.449 2.457 50 0 FEAARO C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091952248 209007147 /nfs/dbraw/zinc/00/71/47/209007147.db2.gz UWMUHWZJLFTZKS-WOUAJJJCSA-N 1 0 357.498 2.317 50 0 FEAARO O=c1[nH]c2ccccc2cc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091974268 209008948 /nfs/dbraw/zinc/00/89/48/209008948.db2.gz BOQLZOUMNAYPIT-CRAIPNDOSA-N 1 0 361.449 2.419 50 0 FEAARO O=C1N(CCO)CCC[C@]12CC[N@H+](Cc1c(Cl)cncc1Cl)C2 ZINC000092022739 209013071 /nfs/dbraw/zinc/01/30/71/209013071.db2.gz MHVVVXZALSPJDX-MRXNPFEDSA-N 1 0 358.269 2.195 50 0 FEAARO COCCOCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 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50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1 ZINC000095369899 209032137 /nfs/dbraw/zinc/03/21/37/209032137.db2.gz JXAKZLOPLGWXKO-GOSISDBHSA-N 1 0 361.461 2.261 50 0 FEAARO CN1Cc2ccccc2C[C@@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000095368937 209033675 /nfs/dbraw/zinc/03/36/75/209033675.db2.gz ULXGLMDTMPWGIZ-LJQANCHMSA-N 1 0 359.539 2.083 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3cnccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095373625 209035635 /nfs/dbraw/zinc/03/56/35/209035635.db2.gz XLCAIAMNKFTFLU-DFQSSKMNSA-N 1 0 364.449 2.188 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccn(C)n2)C3)cc1 ZINC000095382877 209042232 /nfs/dbraw/zinc/04/22/32/209042232.db2.gz BMTFFTUCKBFTAI-DLBZAZTESA-N 1 0 354.454 2.165 50 0 FEAARO O=C(NCc1noc(C2CCCC2)n1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384786 209042646 /nfs/dbraw/zinc/04/26/46/209042646.db2.gz KOZVCOHYTULFPU-HNNXBMFYSA-N 1 0 362.474 2.234 50 0 FEAARO C[N@@H+]1CCN(CCCc2cccnc2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095383459 209042716 /nfs/dbraw/zinc/04/27/16/209042716.db2.gz KNEKINQDWUHXJX-QFIPXVFZSA-N 1 0 370.541 2.423 50 0 FEAARO O=S(=O)(NCC[NH2+]Cc1ccnc2[nH]ccc21)c1cccc(Cl)c1 ZINC000095462205 209053889 /nfs/dbraw/zinc/05/38/89/209053889.db2.gz NXRADPNIGZYHKT-UHFFFAOYSA-N 1 0 364.858 2.284 50 0 FEAARO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000095463364 209055570 /nfs/dbraw/zinc/05/55/70/209055570.db2.gz LPSOYRIUAGMHOM-OAHLLOKOSA-N 1 0 369.469 2.425 50 0 FEAARO CC[C@H](C)C(=O)NCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000070012619 221330816 /nfs/dbraw/zinc/33/08/16/221330816.db2.gz MMQUQPIHRRYECB-SFHVURJKSA-N 1 0 359.514 2.316 50 0 FEAARO O=S1(=O)CC[C@@H](C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000095507552 209066959 /nfs/dbraw/zinc/06/69/59/209066959.db2.gz OYXXCZNBYZJVPD-ZDUSSCGKSA-N 1 0 365.524 2.289 50 0 FEAARO Cc1ccc([C@@H]2CN(S(=O)(=O)N3CCC(C)CC3)C[C@H]2[NH+](C)C)cc1 ZINC000095511741 209069140 /nfs/dbraw/zinc/06/91/40/209069140.db2.gz ZOPIZTHFRXAFJH-RBUKOAKNSA-N 1 0 365.543 2.301 50 0 FEAARO Cc1ccc(C)c(C(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c1 ZINC000082230585 132197971 /nfs/dbraw/zinc/19/79/71/132197971.db2.gz LOTNMFBZKDZFIS-UHFFFAOYSA-N 1 0 353.470 2.430 50 0 FEAARO CC[C@H](Cn1ccnc1)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095355077 132207146 /nfs/dbraw/zinc/20/71/46/132207146.db2.gz YRXKANPGMUMDJC-LJQANCHMSA-N 1 0 369.513 2.299 50 0 FEAARO COc1cccc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2=O)c1 ZINC000095354696 132207188 /nfs/dbraw/zinc/20/71/88/132207188.db2.gz YQSGMQRFSXOGHN-INIZCTEOSA-N 1 0 359.470 2.135 50 0 FEAARO Cc1ccccc1C[NH+]1CCN(c2cc(N3CCCC3)nc(N)n2)CC1 ZINC000095363112 132208019 /nfs/dbraw/zinc/20/80/19/132208019.db2.gz XCAUTEBLVFNZPX-UHFFFAOYSA-N 1 0 352.486 2.290 50 0 FEAARO Cc1cc(C[C@H](C)NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)[nH]n1 ZINC000095382485 132209679 /nfs/dbraw/zinc/20/96/79/132209679.db2.gz AAANSLMZDRNECE-KRWDZBQOSA-N 1 0 369.513 2.286 50 0 FEAARO O=C(CC1CC[NH2+]CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000237898352 132248556 /nfs/dbraw/zinc/24/85/56/132248556.db2.gz QJJIUWPWKWBPAM-UHFFFAOYSA-N 1 0 357.285 2.427 50 0 FEAARO CO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000222898590 132277808 /nfs/dbraw/zinc/27/78/08/132277808.db2.gz WYKGIQQZNKINAJ-HUUCEWRRSA-N 1 0 359.392 2.463 50 0 FEAARO CCc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(C)n1 ZINC000230179196 132289235 /nfs/dbraw/zinc/28/92/35/132289235.db2.gz WXLSGGQXQNUHQD-OAQYLSRUSA-N 1 0 371.529 2.261 50 0 FEAARO CC(=O)Nc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)ccc1C ZINC000089644319 542767467 /nfs/dbraw/zinc/76/74/67/542767467.db2.gz XIVXYEPDBKMKGK-INIZCTEOSA-N 1 0 367.515 2.352 50 0 FEAARO Cc1nnsc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2CC(C)C ZINC000091381803 542806338 /nfs/dbraw/zinc/80/63/38/542806338.db2.gz MCFDQTYVGJLRAN-UHFFFAOYSA-N 1 0 374.514 2.215 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCn2nnc3ccccc32)CC1 ZINC000091595520 542815116 /nfs/dbraw/zinc/81/51/16/542815116.db2.gz PUXOWCYLUWHPFY-UHFFFAOYSA-N 1 0 364.453 2.264 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1nccc1C)CC2 ZINC000091657180 542818650 /nfs/dbraw/zinc/81/86/50/542818650.db2.gz VRKZZWICICNSQC-UHFFFAOYSA-N 1 0 370.501 2.091 50 0 FEAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCOc1c(OC)cccc1OC)C2 ZINC000091755838 542823496 /nfs/dbraw/zinc/82/34/96/542823496.db2.gz DGYMOWOCHGJSDK-JKSUJKDBSA-N 1 0 362.470 2.415 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091746792 542823870 /nfs/dbraw/zinc/82/38/70/542823870.db2.gz DMBJPRUNPOSABH-LXTVHRRPSA-N 1 0 373.419 2.254 50 0 FEAARO CCn1nc(C)c(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC)c1C ZINC000091794280 542825796 /nfs/dbraw/zinc/82/57/96/542825796.db2.gz LQEHBKDSSYXVCQ-UHFFFAOYSA-N 1 0 370.501 2.252 50 0 FEAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCc1nc(-c3cccnc3)no1)C2 ZINC000091830633 542827462 /nfs/dbraw/zinc/82/74/62/542827462.db2.gz DDJFOKXSDLRWQB-GOEBONIOSA-N 1 0 355.442 2.007 50 0 FEAARO Fc1ccc2c(c1)ncnc2NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000058217249 136131092 /nfs/dbraw/zinc/13/10/92/136131092.db2.gz ARWRNZCRHFBOAC-UHFFFAOYSA-N 1 0 367.432 2.183 50 0 FEAARO COc1ccc(-n2ccnc2C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000064609662 136133453 /nfs/dbraw/zinc/13/34/53/136133453.db2.gz QJHIUPVMCFEYKO-INIZCTEOSA-N 1 0 364.453 2.430 50 0 FEAARO Cc1ccnc(N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000065001718 136134371 /nfs/dbraw/zinc/13/43/71/136134371.db2.gz WTAQTXWEWZUYDH-UHFFFAOYSA-N 1 0 367.497 2.250 50 0 FEAARO C[C@@H](Sc1ccccn1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067803373 136137599 /nfs/dbraw/zinc/13/75/99/136137599.db2.gz RXTUQVOVZUMMEF-OAHLLOKOSA-N 1 0 371.510 2.025 50 0 FEAARO Cc1cccc(NC(=O)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000070895704 136138605 /nfs/dbraw/zinc/13/86/05/136138605.db2.gz SJOZJAOQWGEYCI-UHFFFAOYSA-N 1 0 352.438 2.361 50 0 FEAARO Cc1cnc(C)c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071746613 136139927 /nfs/dbraw/zinc/13/99/27/136139927.db2.gz SGGMIWUMSZTJQN-SFHVURJKSA-N 1 0 371.529 2.397 50 0 FEAARO O=C(c1ccc(O)cn1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072173975 136143664 /nfs/dbraw/zinc/14/36/64/136143664.db2.gz BYRMMPFJYMPOJR-GOSISDBHSA-N 1 0 366.465 2.214 50 0 FEAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000094870916 542955961 /nfs/dbraw/zinc/95/59/61/542955961.db2.gz CORHTNUNKXTNTB-VIFPVBQESA-N 1 0 353.307 2.049 50 0 FEAARO COc1cc(N2CCC([NH2+]Cc3cccc(OC)c3OC)CC2)ncn1 ZINC000095527761 542982175 /nfs/dbraw/zinc/98/21/75/542982175.db2.gz QJPJXQDUKIHUHC-UHFFFAOYSA-N 1 0 358.442 2.261 50 0 FEAARO Cc1ccc(Cl)cc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC000096099749 542990859 /nfs/dbraw/zinc/99/08/59/542990859.db2.gz YVXSYWFQYRFOBF-INIZCTEOSA-N 1 0 372.918 2.258 50 0 FEAARO CC(C)(C)[C@H](Cn1ccnc1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000097499630 543012092 /nfs/dbraw/zinc/01/20/92/543012092.db2.gz RBCLVQQTNYSFGV-SFHVURJKSA-N 1 0 362.518 2.305 50 0 FEAARO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(C)c4ccccc4n3)C2)CC1 ZINC000106802668 543248357 /nfs/dbraw/zinc/24/83/57/543248357.db2.gz XKNKYFPKMSRMMX-KRWDZBQOSA-N 1 0 352.482 2.395 50 0 FEAARO CCn1c2ccccc2nc1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000107403858 543270111 /nfs/dbraw/zinc/27/01/11/543270111.db2.gz QWPGCAPQGHOHKC-OAQYLSRUSA-N 1 0 369.513 2.185 50 0 FEAARO O=c1n2ccccc2nn1CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108386996 543288184 /nfs/dbraw/zinc/28/81/84/543288184.db2.gz USHXSKHTBRICKY-LJQANCHMSA-N 1 0 370.428 2.081 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1cccn1)CC2 ZINC000095530042 209079664 /nfs/dbraw/zinc/07/96/64/209079664.db2.gz UNXNIDLJYKKENY-INIZCTEOSA-N 1 0 370.501 2.199 50 0 FEAARO O=C(Cc1ccoc1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000121866342 543700466 /nfs/dbraw/zinc/70/04/66/543700466.db2.gz ZPUFNVOUGUMZEM-IBGZPJMESA-N 1 0 368.481 2.278 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+]C[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000126013168 543913480 /nfs/dbraw/zinc/91/34/80/543913480.db2.gz MDNUQGZTFSJNMI-NSHDSACASA-N 1 0 363.259 2.377 50 0 FEAARO C[N@@H+]1CCN(CCOc2ccccc2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107398384 222393825 /nfs/dbraw/zinc/39/38/25/222393825.db2.gz PYUSRFYMFWRHAK-JOCHJYFZSA-N 1 0 371.525 2.474 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]C(C)C ZINC000006206020 263344619 /nfs/dbraw/zinc/34/46/19/263344619.db2.gz NECDJFWTXAEQNU-UHFFFAOYSA-N 1 0 353.488 2.106 50 0 FEAARO COc1cc(C(=O)N(C)CC(F)(F)F)cc(OC)c1OCCC[NH3+] ZINC000426538391 263627092 /nfs/dbraw/zinc/62/70/92/263627092.db2.gz LRIWUQBBEMTFJT-UHFFFAOYSA-N 1 0 350.337 2.066 50 0 FEAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc(-c2ccc(C(=O)C3CC3)cc2)cc1 ZINC000426693738 263658320 /nfs/dbraw/zinc/65/83/20/263658320.db2.gz NVYNJJPDSSGEEK-QFIPXVFZSA-N 1 0 364.445 2.401 50 0 FEAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)CSc3ccccc3)CC2)nn1 ZINC000020272824 519301251 /nfs/dbraw/zinc/30/12/51/519301251.db2.gz KBDLKJZYJBTSEX-UHFFFAOYSA-N 1 0 359.499 2.428 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3cccn3)cc2C1 ZINC000082157482 519723312 /nfs/dbraw/zinc/72/33/12/519723312.db2.gz WDRQXPWBMVUKGY-MRXNPFEDSA-N 1 0 358.490 2.209 50 0 FEAARO CCNc1cc(C)[nH+]c(NCCNS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000082230715 520270144 /nfs/dbraw/zinc/27/01/44/520270144.db2.gz YZNJOAXFJSKNBD-UHFFFAOYSA-N 1 0 369.878 2.261 50 0 FEAARO COCC[C@]1(O)CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@H]1C ZINC000091452076 522004530 /nfs/dbraw/zinc/00/45/30/522004530.db2.gz YLGVWPOYXVCLOL-DNVCBOLYSA-N 1 0 350.459 2.125 50 0 FEAARO COCC[C@]1(O)CCN(C(=O)C2CC[NH+](C3CCCC3)CC2)C[C@H]1C ZINC000091644412 522004894 /nfs/dbraw/zinc/00/48/94/522004894.db2.gz BIVBMHPTFYTVJY-OXQOHEQNSA-N 1 0 352.519 2.277 50 0 FEAARO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc(OC)c1Br ZINC000153170413 522095434 /nfs/dbraw/zinc/09/54/34/522095434.db2.gz CBYZGQSAPZRRDZ-NXEZZACHSA-N 1 0 357.248 2.289 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000152441674 523100291 /nfs/dbraw/zinc/10/02/91/523100291.db2.gz CZRRUKIPWDACKR-OBJOEFQTSA-N 1 0 360.376 2.031 50 0 FEAARO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)s2)cc1 ZINC000237475896 523194170 /nfs/dbraw/zinc/19/41/70/523194170.db2.gz QOKHROCETJUFED-PSOPSSQASA-N 1 0 361.467 2.027 50 0 FEAARO CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3OCCn3ccnc3)C2)C1=O ZINC000091619960 523837304 /nfs/dbraw/zinc/83/73/04/523837304.db2.gz QEKPKXIAOWSCMS-NRFANRHFSA-N 1 0 368.481 2.406 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3cnccn3)C[C@H]2CCO)c(C)c1C ZINC000106956324 524033790 /nfs/dbraw/zinc/03/37/90/524033790.db2.gz BPYTYUMGWBOKQB-GOSISDBHSA-N 1 0 356.470 2.175 50 0 FEAARO Cc1cc(C)n2ncc(C(=O)N3CCN(c4cc(C)[nH+]c(C)c4)CC3)c2n1 ZINC000082091603 524573014 /nfs/dbraw/zinc/57/30/14/524573014.db2.gz RHKYCHILERHIBH-UHFFFAOYSA-N 1 0 364.453 2.320 50 0 FEAARO C[C@@H]1CN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000153960371 524887628 /nfs/dbraw/zinc/88/76/28/524887628.db2.gz UWRHWNFIOUKZTA-AOOOYVTPSA-N 1 0 371.338 2.248 50 0 FEAARO CSCCC[NH2+][C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 ZINC000020862014 525481511 /nfs/dbraw/zinc/48/15/11/525481511.db2.gz IIXBYMXXRDHBQC-MRXNPFEDSA-N 1 0 350.532 2.405 50 0 FEAARO COc1cccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000091575165 525869778 /nfs/dbraw/zinc/86/97/78/525869778.db2.gz MMTGAMLGRRYRQI-RTBURBONSA-N 1 0 360.498 2.181 50 0 FEAARO O[C@H](COc1ccc(Br)cc1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000241383126 526286853 /nfs/dbraw/zinc/28/68/53/526286853.db2.gz MSTGNFIZWBWADL-HOTGVXAUSA-N 1 0 369.303 2.359 50 0 FEAARO O=C1NC[C@@H](C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)O1 ZINC000091416428 527073533 /nfs/dbraw/zinc/07/35/33/527073533.db2.gz WDUOIHKYYIVVOR-UKTKYZJWSA-N 1 0 369.465 2.123 50 0 FEAARO OCCc1cn(C[C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)nn1 ZINC000019792970 527575241 /nfs/dbraw/zinc/57/52/41/527575241.db2.gz KWBAAHFWTYOPFN-INIZCTEOSA-N 1 0 351.454 2.273 50 0 FEAARO CC(C)c1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc(C(C)C)n1 ZINC000095468687 535369539 /nfs/dbraw/zinc/36/95/39/535369539.db2.gz YWZYZZVMWPZQJY-UHFFFAOYSA-N 1 0 362.518 2.387 50 0 FEAARO CC[NH+]1CCN(c2cc(CNC(=O)COc3ccc(F)cc3)ccn2)CC1 ZINC000064417256 535743540 /nfs/dbraw/zinc/74/35/40/535743540.db2.gz GFZCNDAGHPUIHF-UHFFFAOYSA-N 1 0 372.444 2.058 50 0 FEAARO C[NH+](C)CCCN1CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 ZINC000095518151 535833628 /nfs/dbraw/zinc/83/36/28/535833628.db2.gz XALVALDGMCBNEY-UHFFFAOYSA-N 1 0 367.497 2.034 50 0 FEAARO CCOCCOC[C@@H](O)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000170611857 546164453 /nfs/dbraw/zinc/16/44/53/546164453.db2.gz HYYOOBDIHLLRSO-IBGZPJMESA-N 1 0 366.502 2.061 50 0 FEAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000177847417 546695625 /nfs/dbraw/zinc/69/56/25/546695625.db2.gz WTOCPGLUGAOFLU-SFHVURJKSA-N 1 0 355.486 2.398 50 0 FEAARO Cc1ccc(NS(C)(=O)=O)c(NC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000194689249 548515472 /nfs/dbraw/zinc/51/54/72/548515472.db2.gz NABUNLJRALFYSG-UHFFFAOYSA-N 1 0 351.472 2.179 50 0 FEAARO CC1CCN(C(=O)COc2ccccc2CN2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000215033261 548667840 /nfs/dbraw/zinc/66/78/40/548667840.db2.gz XAYCMRRSNOURBX-GOSISDBHSA-N 1 0 359.514 2.460 50 0 FEAARO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000215305729 548670654 /nfs/dbraw/zinc/67/06/54/548670654.db2.gz XTLVVOMKDAEANW-HNNXBMFYSA-N 1 0 371.403 2.418 50 0 FEAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)s3)C[C@H]2C[C@@H]1O ZINC000216422979 548677903 /nfs/dbraw/zinc/67/79/03/548677903.db2.gz OUXGETMGYIBRLU-DJDHSFSDSA-N 1 0 350.528 2.298 50 0 FEAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCC[N@H+](CCc1ccccc1)C2 ZINC000222686458 548710404 /nfs/dbraw/zinc/71/04/04/548710404.db2.gz WSNGENOLZJGQOA-FQEVSTJZSA-N 1 0 351.454 2.147 50 0 FEAARO Oc1cccc(C[NH+]2CCC(Nc3cc(C4CC(O)C4)ncn3)CC2)c1 ZINC000222893602 548713290 /nfs/dbraw/zinc/71/32/90/548713290.db2.gz NSCRGCGMQSVKQG-UHFFFAOYSA-N 1 0 354.454 2.497 50 0 FEAARO Cc1nc2cc(CNC(=O)[C@@H]3CCCN3C3CC[NH+](C)CC3)ccc2n1C ZINC000223393619 548720037 /nfs/dbraw/zinc/72/00/37/548720037.db2.gz HRABFQVFBQYCAF-FQEVSTJZSA-N 1 0 369.513 2.057 50 0 FEAARO COc1ccc([C@@H](NC(=O)C[NH+]2CCCCCCC2)C2CC(O)C2)cn1 ZINC000223875450 548724684 /nfs/dbraw/zinc/72/46/84/548724684.db2.gz MHUBHYZRCGQKPX-LBXVMSDZSA-N 1 0 361.486 2.285 50 0 FEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1cccc2nccnc21 ZINC000223906772 548725932 /nfs/dbraw/zinc/72/59/32/548725932.db2.gz REBOQRFLHPGDFJ-VUKOWNLVSA-N 1 0 352.438 2.001 50 0 FEAARO COc1ccc([C@@H](CNC(=O)[C@@H]2CCCC23OCCO3)[NH+]2CCCC2)cc1 ZINC000225807442 548744176 /nfs/dbraw/zinc/74/41/76/548744176.db2.gz YIASKCPTYUXNIF-RBUKOAKNSA-N 1 0 374.481 2.492 50 0 FEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-n2cnnn2)ccc1Cl ZINC000229703095 548757181 /nfs/dbraw/zinc/75/71/81/548757181.db2.gz BCZKYLBFKNXXNI-DYVFJYSZSA-N 1 0 374.876 2.310 50 0 FEAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000237498849 548830310 /nfs/dbraw/zinc/83/03/10/548830310.db2.gz FHCFXNKOGYCOEE-PWSUYJOCSA-N 1 0 353.348 2.238 50 0 FEAARO [NH3+][C@H]1C[C@H](c2cc(NCC3(CN4CCOCC4)CC3)nc(C3CC3)n2)C1 ZINC000243893163 548888902 /nfs/dbraw/zinc/88/89/02/548888902.db2.gz AOSCSTIUQUNKSO-WKILWMFISA-N 1 0 357.502 2.083 50 0 FEAARO Cc1csc(NC(=O)[C@@H](C)N2CCC([NH+]3CCSCC3)CC2)n1 ZINC000244678436 548892832 /nfs/dbraw/zinc/89/28/32/548892832.db2.gz ICOWTSRXNSEXDT-CYBMUJFWSA-N 1 0 354.545 2.292 50 0 FEAARO Nc1nc(NCc2ccc(N3CCCC3=O)cc2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244874163 548898325 /nfs/dbraw/zinc/89/83/25/548898325.db2.gz WVTZGLYCOWWDGP-HDJSIYSDSA-N 1 0 352.442 2.002 50 0 FEAARO C[C@@H](C(=O)Nc1nncs1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000244873188 548898488 /nfs/dbraw/zinc/89/84/88/548898488.db2.gz WLKANNYOIDZHAZ-AWEZNQCLSA-N 1 0 371.510 2.040 50 0 FEAARO COCC[NH+]1CCC(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000252491015 549669063 /nfs/dbraw/zinc/66/90/63/549669063.db2.gz LIISEXRBLUQDLR-UHFFFAOYSA-N 1 0 372.435 2.333 50 0 FEAARO O=C(NC1CCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)CCC(=O)NCC1 ZINC000257181120 549712948 /nfs/dbraw/zinc/71/29/48/549712948.db2.gz MKWISNCYNULYNL-SFHVURJKSA-N 1 0 372.513 2.249 50 0 FEAARO O=C(c1ccc2cc[nH]c2c1)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257195713 549716714 /nfs/dbraw/zinc/71/67/14/549716714.db2.gz WSLARJORGSISIT-INIZCTEOSA-N 1 0 363.408 2.474 50 0 FEAARO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000285612875 551782891 /nfs/dbraw/zinc/78/28/91/551782891.db2.gz YNNOWDYSUYSHDR-MRXNPFEDSA-N 1 0 368.485 2.070 50 0 FEAARO Cc1nc2cc(CNC(=O)C3CC[NH+](C4CCOCC4)CC3)ccc2[nH]1 ZINC000299758952 553610818 /nfs/dbraw/zinc/61/08/18/553610818.db2.gz FXQRAVUKVCVIMQ-UHFFFAOYSA-N 1 0 356.470 2.379 50 0 FEAARO CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000299761671 553611646 /nfs/dbraw/zinc/61/16/46/553611646.db2.gz MVGYACOEMQJCMC-OAQYLSRUSA-N 1 0 367.493 2.469 50 0 FEAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)NCC1(C[NH+]2CCN(C)CC2)CC1 ZINC000299763639 553611725 /nfs/dbraw/zinc/61/17/25/553611725.db2.gz PXVCLAUNRSNTLJ-UHFFFAOYSA-N 1 0 367.497 2.143 50 0 FEAARO O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccsc1 ZINC000299773902 553613049 /nfs/dbraw/zinc/61/30/49/553613049.db2.gz FUWAGKRQPUSKRZ-SFHVURJKSA-N 1 0 356.451 2.090 50 0 FEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1nc2ccc(Cl)cn2c1F ZINC000299774191 553613135 /nfs/dbraw/zinc/61/31/35/553613135.db2.gz DUWLREIBFUJTBY-ZDUSSCGKSA-N 1 0 368.840 2.310 50 0 FEAARO Cc1sc2nc(CNC(=O)C[C@H]3C[N@H+](C(C)C)CCO3)cn2c1C ZINC000299775104 553613213 /nfs/dbraw/zinc/61/32/13/553613213.db2.gz GWCPAKRBBCFINA-HNNXBMFYSA-N 1 0 350.488 2.128 50 0 FEAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(-c3ncccn3)c2)C[C@H](C)O1 ZINC000299788835 553614752 /nfs/dbraw/zinc/61/47/52/553614752.db2.gz TUNQDISQNFGFCC-IYBDPMFKSA-N 1 0 354.454 2.373 50 0 FEAARO CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)[NH+]1CCCCC1 ZINC000329208426 553902787 /nfs/dbraw/zinc/90/27/87/553902787.db2.gz XYNXPAGWUUPMQO-JRBPQWBISA-N 1 0 352.519 2.275 50 0 FEAARO CN1CCC[C@]2(CC[N@H+](CCC(=O)N3CCCc4ccccc43)C2)C1=O ZINC000367566857 556084927 /nfs/dbraw/zinc/08/49/27/556084927.db2.gz SRRUDTZVHDVESQ-OAQYLSRUSA-N 1 0 355.482 2.300 50 0 FEAARO O=C(NCc1ccccc1OCc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000417140183 559349621 /nfs/dbraw/zinc/34/96/21/559349621.db2.gz PMXBDAUQDXOUHB-SFHVURJKSA-N 1 0 355.438 2.053 50 0 FEAARO O=C(CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O)NC1CC1 ZINC000426503221 559736154 /nfs/dbraw/zinc/73/61/54/559736154.db2.gz DZJSNYLYAGFKIG-NRFANRHFSA-N 1 0 373.472 2.309 50 0 FEAARO COc1cncc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)c2)c1 ZINC000426514942 559736602 /nfs/dbraw/zinc/73/66/02/559736602.db2.gz ZWFXQLCKFYHXPD-INIZCTEOSA-N 1 0 369.465 2.191 50 0 FEAARO Cc1noc(-c2ccnc(Sc3nnc(C4CC[NH2+]CC4)n3C)c2)n1 ZINC000426538064 559737272 /nfs/dbraw/zinc/73/72/72/559737272.db2.gz HXXJVNBTAOHIHL-UHFFFAOYSA-N 1 0 357.443 2.187 50 0 FEAARO CN(Cc1nccn1Cc1ccccc1)C(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000426551814 559737572 /nfs/dbraw/zinc/73/75/72/559737572.db2.gz NQFILUFSAPZXLG-HXUWFJFHSA-N 1 0 355.486 2.415 50 0 FEAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000426563012 559737902 /nfs/dbraw/zinc/73/79/02/559737902.db2.gz CVZQNQXYZNSUEZ-HNNXBMFYSA-N 1 0 365.355 2.486 50 0 FEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3cncc(C(N)=O)c3)c1)C2 ZINC000426584684 559738317 /nfs/dbraw/zinc/73/83/17/559738317.db2.gz KJXXBAGXPGAAQP-RBUKOAKNSA-N 1 0 364.449 2.156 50 0 FEAARO CCN1CC[NH+](C2CCN(C(=O)c3ccc(C)n3C(F)F)CC2)CC1 ZINC000426701532 559740607 /nfs/dbraw/zinc/74/06/07/559740607.db2.gz ASNCPECZAXDYRV-UHFFFAOYSA-N 1 0 354.445 2.434 50 0 FEAARO CCOc1ccc(C(C)(C)NC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000426698504 559740633 /nfs/dbraw/zinc/74/06/33/559740633.db2.gz WFMIUMZASOHDHX-FQEVSTJZSA-N 1 0 363.502 2.419 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)N2CCCNC(=O)C2)[NH+]2CCC(C)CC2)cc1 ZINC000534585550 562537459 /nfs/dbraw/zinc/53/74/59/562537459.db2.gz MEPVXXIOXSVIHU-LJQANCHMSA-N 1 0 372.513 2.300 50 0 FEAARO O=C(NCC1(CO)CCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000534590928 562537782 /nfs/dbraw/zinc/53/77/82/562537782.db2.gz VZNJLYMVYSNGDF-UHFFFAOYSA-N 1 0 359.514 2.499 50 0 FEAARO C[C@H](NC(=O)N(C)Cc1nc(-c2ccncc2)no1)C1CC[NH+](C)CC1 ZINC000534651738 562539339 /nfs/dbraw/zinc/53/93/39/562539339.db2.gz WSVYZEGMIKYXSK-ZDUSSCGKSA-N 1 0 358.446 2.003 50 0 FEAARO CO[C@]12CC[N@H+](Cc3ccccn3)[C@H]1C[C@H](NC(=O)c1cccnc1)CC2 ZINC000534673831 562540094 /nfs/dbraw/zinc/54/00/94/562540094.db2.gz YFDFAIGFWRZUPU-SLYNCCJLSA-N 1 0 366.465 2.419 50 0 FEAARO CSCCN1CCN(C(=O)c2ccc(-c3ccc(C(N)=O)o3)cc2)CC1 ZINC000426475567 570607324 /nfs/dbraw/zinc/60/73/24/570607324.db2.gz RUBWQQUZSYVYEF-UHFFFAOYSA-N 1 0 373.478 2.166 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCc3nc(N(CC)CC)ncc3C2)CC1 ZINC000075877380 570620268 /nfs/dbraw/zinc/62/02/68/570620268.db2.gz RAXRPKYXAZSHSJ-KRWDZBQOSA-N 1 0 373.545 2.372 50 0 FEAARO CN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000108144649 570903446 /nfs/dbraw/zinc/90/34/46/570903446.db2.gz WOIZCILJJSARIQ-SJLPKXTDSA-N 1 0 358.511 2.375 50 0 FEAARO CC1(C)C(c2cc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)n[nH]2)C1(C)C ZINC000646533591 571106157 /nfs/dbraw/zinc/10/61/57/571106157.db2.gz UFPRVZULCQWLTM-BGFJZZDESA-N 1 0 360.502 3.030 50 0 FEAARO Cn1ccnc1-c1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000426361417 571215474 /nfs/dbraw/zinc/21/54/74/571215474.db2.gz UXRRNYSUSAFMJL-SFHVURJKSA-N 1 0 356.470 2.270 50 0 FEAARO CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000426394480 571219151 /nfs/dbraw/zinc/21/91/51/571219151.db2.gz DTMZQRBUUKCEDJ-HXUWFJFHSA-N 1 0 358.530 2.288 50 0 FEAARO Cc1ccc2[nH]c(CN(C)C(=O)Cn3nccc3[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000426399229 571219887 /nfs/dbraw/zinc/21/98/87/571219887.db2.gz NADCYMVQPJYCHB-OAHLLOKOSA-N 1 0 366.469 2.193 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N2CCC(Oc3ncccn3)CC2)C1 ZINC000584897342 571315601 /nfs/dbraw/zinc/31/56/01/571315601.db2.gz BBDIBTQBLDNVFP-OAHLLOKOSA-N 1 0 361.490 2.150 50 0 FEAARO Cc1nc(-c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)ccc1Cl ZINC000584899649 571316028 /nfs/dbraw/zinc/31/60/28/571316028.db2.gz VMZVDZFDEGBEPU-ROUUACIJSA-N 1 0 359.857 2.457 50 0 FEAARO COCCOc1ccc(CNC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000670435480 571346536 /nfs/dbraw/zinc/34/65/36/571346536.db2.gz OFMBRBMEICAPGI-INIZCTEOSA-N 1 0 361.486 2.480 50 0 FEAARO CCOc1ccc(-c2csc3ncn([C@@H]4C[NH2+]C[C@H]4O)c(=O)c23)cc1 ZINC000670467542 571359008 /nfs/dbraw/zinc/35/90/08/571359008.db2.gz IACPYDXGSNUAAS-HUUCEWRRSA-N 1 0 357.435 2.029 50 0 FEAARO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000090183019 670711144 /nfs/dbraw/zinc/71/11/44/670711144.db2.gz ADPNVJDBQJEJMX-ZDUSSCGKSA-N 1 0 352.456 2.119 50 0 FEAARO CCC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000577087376 671415764 /nfs/dbraw/zinc/41/57/64/671415764.db2.gz KSLXOAZZLPGVLD-ZWKOTPCHSA-N 1 0 358.463 2.313 50 0 FEAARO Cc1ccsc1C(=O)N[C@@H]1CN(Cc2ccncc2)C[C@H]1C[NH+](C)C ZINC000169781258 672321837 /nfs/dbraw/zinc/32/18/37/672321837.db2.gz KRWISHPKXHSLKW-IAGOWNOFSA-N 1 0 358.511 2.244 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@@H](C3CCN(S(C)(=O)=O)CC3)C2)cc1C ZINC000169783807 672322477 /nfs/dbraw/zinc/32/24/77/672322477.db2.gz NLIXMGBHZHBCIM-GOSISDBHSA-N 1 0 366.527 2.497 50 0 FEAARO CCNC(=O)c1cc(NC(=O)C2CC[NH+](CCOC)CC2)ccc1Cl ZINC000952971324 681793811 /nfs/dbraw/zinc/79/38/11/681793811.db2.gz JVCVURIFXROKHF-UHFFFAOYSA-N 1 0 367.877 2.387 50 0 FEAARO CN(C)c1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000952972829 681793844 /nfs/dbraw/zinc/79/38/44/681793844.db2.gz GVJWKZSJAARXRE-LBPRGKRZSA-N 1 0 362.865 2.249 50 0 FEAARO CC(C)Oc1cncc(S(=O)(=O)NC[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000888100052 688545637 /nfs/dbraw/zinc/54/56/37/688545637.db2.gz BLTLTPSIXFLMBC-OAHLLOKOSA-N 1 0 361.467 2.034 50 0 FEAARO COc1c(OC[C@@H](O)C[NH2+]CC(C)C)cc2c(C)cc(=O)oc2c1OC ZINC000002000747 539343511 /nfs/dbraw/zinc/34/35/11/539343511.db2.gz HIHJZLNZGYQNBN-ZDUSSCGKSA-N 1 0 365.426 2.104 50 0 FEAARO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)N1C(=O)c2ccccc2C1=O ZINC000002633045 539349516 /nfs/dbraw/zinc/34/95/16/539349516.db2.gz RVVFEISEXJUCPQ-RDTXWAMCSA-N 1 0 365.433 2.090 50 0 FEAARO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000002639312 539349730 /nfs/dbraw/zinc/34/97/30/539349730.db2.gz KVZPZSCYPJCPEG-SJLPKXTDSA-N 1 0 357.406 2.059 50 0 FEAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCS(=O)(=O)NCC2CCC2)C1 ZINC000221856127 210174114 /nfs/dbraw/zinc/17/41/14/210174114.db2.gz QCOJSBSMRFKYGL-VQIMIIECSA-N 1 0 365.543 2.131 50 0 FEAARO Cc1nn(CC(=O)NC2CC[NH+](C3CCSCC3)CC2)c(C)c1C ZINC000216278469 222661713 /nfs/dbraw/zinc/66/17/13/222661713.db2.gz SZWBUFKNHUUZET-UHFFFAOYSA-N 1 0 350.532 2.285 50 0 FEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000005660105 539414995 /nfs/dbraw/zinc/41/49/95/539414995.db2.gz VQMUHOYVFXIYCV-UHFFFAOYSA-N 1 0 359.333 2.270 50 0 FEAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccccn1 ZINC000006660324 539432827 /nfs/dbraw/zinc/43/28/27/539432827.db2.gz DQTLSIILEGBRFK-QGZVFWFLSA-N 1 0 367.380 2.434 50 0 FEAARO CCOc1ccc(Br)cc1C[NH2+]CCSc1nnnn1C ZINC000006746712 539436168 /nfs/dbraw/zinc/43/61/68/539436168.db2.gz YEWMGNJKSZTUBG-UHFFFAOYSA-N 1 0 372.292 2.253 50 0 FEAARO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCCCCC1 ZINC000007378311 539457527 /nfs/dbraw/zinc/45/75/27/539457527.db2.gz IAHHFZYJUMAXRK-AWEZNQCLSA-N 1 0 353.488 2.140 50 0 FEAARO Nc1cc(N)[nH+]c(SCC(=O)N2CCS[C@@H]2c2ccccc2F)n1 ZINC000008488085 539487500 /nfs/dbraw/zinc/48/75/00/539487500.db2.gz FTUHOJMLNZETQF-CQSZACIVSA-N 1 0 365.459 2.146 50 0 FEAARO O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864244 539493721 /nfs/dbraw/zinc/49/37/21/539493721.db2.gz KNYVSDNPLKIJFU-HNNXBMFYSA-N 1 0 363.508 2.379 50 0 FEAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)CCN2CCCC2=O)C1 ZINC000011702547 539533758 /nfs/dbraw/zinc/53/37/58/539533758.db2.gz LXSHJXBBUYYFRD-FQEVSTJZSA-N 1 0 371.525 2.412 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCn3cnnn3)C2)cc1 ZINC000011878707 539537872 /nfs/dbraw/zinc/53/78/72/539537872.db2.gz SRDNOXDOTPINBG-LJQANCHMSA-N 1 0 370.501 2.043 50 0 FEAARO CCOC(=O)N1CCC([NH2+][C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000012030822 539540947 /nfs/dbraw/zinc/54/09/47/539540947.db2.gz XDXMXXZACXIWHE-SFHVURJKSA-N 1 0 359.470 2.041 50 0 FEAARO Cc1nc(C(=O)N2CC[NH2+]C[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000125050526 210060948 /nfs/dbraw/zinc/06/09/48/210060948.db2.gz AIMMERBNXIFTMM-SECBINFHSA-N 1 0 354.241 2.316 50 0 FEAARO CC[NH+]1CCN(CC(=O)N[C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)CC1 ZINC000299799595 210040443 /nfs/dbraw/zinc/04/04/43/210040443.db2.gz SQOHRUVJACCISB-LJQANCHMSA-N 1 0 357.502 2.322 50 0 FEAARO Cc1cc(C)n(-c2ccc(NC(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cc2)n1 ZINC000299794704 210035811 /nfs/dbraw/zinc/03/58/11/210035811.db2.gz MIUSKDPMQCOFFA-OALUTQOASA-N 1 0 369.469 2.474 50 0 FEAARO O=C(Nc1cccc(-c2cc[nH]n2)c1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000299794765 210035390 /nfs/dbraw/zinc/03/53/90/210035390.db2.gz KPKBZNIUZLMHJZ-ROUUACIJSA-N 1 0 355.442 2.452 50 0 FEAARO Cc1cc(=O)cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1C ZINC000299788407 210032213 /nfs/dbraw/zinc/03/22/13/210032213.db2.gz PCYRRKABYPOBON-UHFFFAOYSA-N 1 0 353.466 2.131 50 0 FEAARO O=C(NCCN1CCCCC1=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299785069 210026863 /nfs/dbraw/zinc/02/68/63/210026863.db2.gz QHZVHDVTQRVMDG-OTWHNJEPSA-N 1 0 355.482 2.341 50 0 FEAARO O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CCc1cccs1 ZINC000299781513 210025351 /nfs/dbraw/zinc/02/53/51/210025351.db2.gz LYVSDQCHZQXQSL-IBGZPJMESA-N 1 0 370.478 2.133 50 0 FEAARO COc1ccccc1OC1CN(C(=O)c2ccc(OCCC[NH3+])cc2)C1 ZINC000299775946 210020533 /nfs/dbraw/zinc/02/05/33/210020533.db2.gz LQHIEUNHKMQXFQ-UHFFFAOYSA-N 1 0 356.422 2.326 50 0 FEAARO COC(=O)[C@@H]1CC(=O)N(OCc2ccc3ccccc3c2)C12CC[NH2+]CC2 ZINC000299774158 210020275 /nfs/dbraw/zinc/02/02/75/210020275.db2.gz BLTKMEFGAPIKFU-SFHVURJKSA-N 1 0 368.433 2.415 50 0 FEAARO COC(=O)CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012702013 539570121 /nfs/dbraw/zinc/57/01/21/539570121.db2.gz GTHHGEXYNSHXPA-QGZVFWFLSA-N 1 0 364.461 2.492 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cc(C)c(C)[nH]c3=O)cc2C1 ZINC000299765472 210015588 /nfs/dbraw/zinc/01/55/88/210015588.db2.gz BFBLFTNYJMISRP-UHFFFAOYSA-N 1 0 357.458 2.146 50 0 FEAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH2+]CC2)N1Cc1ccccc1 ZINC000299770415 210016656 /nfs/dbraw/zinc/01/66/56/210016656.db2.gz VLYNVQVXWNONBX-UHFFFAOYSA-N 1 0 350.422 2.168 50 0 FEAARO CN1CC[NH+](CCC(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000299762792 210012568 /nfs/dbraw/zinc/01/25/68/210012568.db2.gz BCDDBVYJBFXYDK-FQEVSTJZSA-N 1 0 356.445 2.064 50 0 FEAARO CN(C)c1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)[C@H](O)C2)c2ccccc21 ZINC000299760745 210010359 /nfs/dbraw/zinc/01/03/59/210010359.db2.gz OUSWQNLAXJWANN-MGPUTAFESA-N 1 0 355.482 2.290 50 0 FEAARO CCOc1ccc(C(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)cc1 ZINC000017307327 539641629 /nfs/dbraw/zinc/64/16/29/539641629.db2.gz HJQPCOXIIZARPE-UHFFFAOYSA-N 1 0 369.469 2.212 50 0 FEAARO Cc1cc(NC(=O)c2sc3ncnc(N4CC[NH+](C)CC4)c3c2C)no1 ZINC000021636563 539685968 /nfs/dbraw/zinc/68/59/68/539685968.db2.gz SPOZTDSTIDQHRV-UHFFFAOYSA-N 1 0 372.454 2.300 50 0 FEAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127672 539706688 /nfs/dbraw/zinc/70/66/88/539706688.db2.gz GPFYQEHVFHYSNU-UHFFFAOYSA-N 1 0 364.467 2.479 50 0 FEAARO O=C(CN1C(=O)c2ccccc2C1=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023014601 539704603 /nfs/dbraw/zinc/70/46/03/539704603.db2.gz HGUYXTODXSFQFB-UHFFFAOYSA-N 1 0 369.465 2.053 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccsc1 ZINC000025332398 539756033 /nfs/dbraw/zinc/75/60/33/539756033.db2.gz ACUCSYPMMGWSOI-ZBFHGGJFSA-N 1 0 359.499 2.174 50 0 FEAARO CC(C)c1ccccc1OC[C@@H](O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000025764472 539767816 /nfs/dbraw/zinc/76/78/16/539767816.db2.gz NIAPNSAWYBGWMH-OALUTQOASA-N 1 0 362.514 2.346 50 0 FEAARO CC[C@@H](CNS(=O)(=O)c1cc(OC)c(OC)cc1C)[NH+]1CCCC1 ZINC000032916558 539959398 /nfs/dbraw/zinc/95/93/98/539959398.db2.gz XTVVRHVPVZPZCC-AWEZNQCLSA-N 1 0 356.488 2.165 50 0 FEAARO Cc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccccc2C)cc1 ZINC000033032889 539964400 /nfs/dbraw/zinc/96/44/00/539964400.db2.gz ZRLRDZIXOFIYLR-UHFFFAOYSA-N 1 0 365.477 2.378 50 0 FEAARO O=C(CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000033032404 539964699 /nfs/dbraw/zinc/96/46/99/539964699.db2.gz WEQHVBMXZJAMNY-UHFFFAOYSA-N 1 0 371.868 2.414 50 0 FEAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000033264332 539973110 /nfs/dbraw/zinc/97/31/10/539973110.db2.gz YOAJNEBXCWEMDE-SFHVURJKSA-N 1 0 360.502 2.275 50 0 FEAARO COc1ccc(-c2ccc3nc(C(=O)NCC[NH+](C)C)cn3c2)cc1OC ZINC000034831127 539977569 /nfs/dbraw/zinc/97/75/69/539977569.db2.gz LNMYBBCHXTWGQT-UHFFFAOYSA-N 1 0 368.437 2.310 50 0 FEAARO CCCOc1ccc2ccccc2c1C[NH2+]CCNC(=O)c1nonc1N ZINC000040744433 540011348 /nfs/dbraw/zinc/01/13/48/540011348.db2.gz GXLCFVCMORQHFG-UHFFFAOYSA-N 1 0 369.425 2.113 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2F)CC1 ZINC000041442622 540021921 /nfs/dbraw/zinc/02/19/21/540021921.db2.gz UDBGKUQGNKJKIS-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO C[NH+](C)CCCNC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000042922687 540082637 /nfs/dbraw/zinc/08/26/37/540082637.db2.gz BOKHBSJCHJEPIS-UHFFFAOYSA-N 1 0 372.435 2.484 50 0 FEAARO COCCn1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000047003772 540284180 /nfs/dbraw/zinc/28/41/80/540284180.db2.gz OAXHBGXYTMXXGS-OAHLLOKOSA-N 1 0 357.458 2.098 50 0 FEAARO COc1ccccc1C[NH2+][C@H]1CCN(c2ccc(C(=O)NC3CC3)cn2)C1 ZINC000049421004 540389642 /nfs/dbraw/zinc/38/96/42/540389642.db2.gz YHCVKIPVFLTTLY-SFHVURJKSA-N 1 0 366.465 2.351 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCNC(=O)OCC(F)(F)F)c1ccsc1 ZINC000050029670 540397759 /nfs/dbraw/zinc/39/77/59/540397759.db2.gz YSUQQAKULMZUHV-LLVKDONJSA-N 1 0 367.393 2.146 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000052874193 540496785 /nfs/dbraw/zinc/49/67/85/540496785.db2.gz UIVLJAPJBMWBES-HNNXBMFYSA-N 1 0 358.438 2.338 50 0 FEAARO Cc1cc(C[N@H+](C)CCC(=O)NC(N)=O)cc(C)c1OCC(F)(F)F ZINC000054396448 540589046 /nfs/dbraw/zinc/58/90/46/540589046.db2.gz KTHHNIMLKMUCGP-UHFFFAOYSA-N 1 0 361.364 2.261 50 0 FEAARO Cn1c(CC2CC[NH2+]CC2)nnc1CN1CCCC[C@@H]1c1cccnc1 ZINC000055198292 540635288 /nfs/dbraw/zinc/63/52/88/540635288.db2.gz BZONGGCGMSZSKZ-GOSISDBHSA-N 1 0 354.502 2.479 50 0 FEAARO Fc1ccccc1-c1nnc2ccc(NCCCC[NH+]3CCOCC3)nn21 ZINC000057138918 540771651 /nfs/dbraw/zinc/77/16/51/540771651.db2.gz JLCMXEMCJFFYLV-UHFFFAOYSA-N 1 0 370.432 2.455 50 0 FEAARO CCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000058172077 540831555 /nfs/dbraw/zinc/83/15/55/540831555.db2.gz ZJGXYMYHAHXSJQ-UHFFFAOYSA-N 1 0 358.442 2.202 50 0 FEAARO Cn1ncc2c1CCC[C@H]2NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058171686 540831575 /nfs/dbraw/zinc/83/15/75/540831575.db2.gz IPIKPFMPTMYVFL-GOSISDBHSA-N 1 0 368.485 2.156 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000058173911 540831647 /nfs/dbraw/zinc/83/16/47/540831647.db2.gz KKIKCSOCQMSREA-UHFFFAOYSA-N 1 0 366.527 2.426 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCNC(=O)c2ccccc2)o1 ZINC000058214164 540834075 /nfs/dbraw/zinc/83/40/75/540834075.db2.gz YYJPFWLSZVEZTH-UHFFFAOYSA-N 1 0 357.454 2.298 50 0 FEAARO O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058218696 540834663 /nfs/dbraw/zinc/83/46/63/540834663.db2.gz CBPQQIOWBUPDJE-GOSISDBHSA-N 1 0 356.466 2.115 50 0 FEAARO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000072120794 541784384 /nfs/dbraw/zinc/78/43/84/541784384.db2.gz SCYRAOTYSOBZHQ-HNNXBMFYSA-N 1 0 355.486 2.469 50 0 FEAARO O=C(CCCn1cccn1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072122604 541784554 /nfs/dbraw/zinc/78/45/54/541784554.db2.gz IJTQDGIDQBRYFE-FQEVSTJZSA-N 1 0 352.482 2.365 50 0 FEAARO O=C(c1cnc(-c2cccs2)nc1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072143784 541786858 /nfs/dbraw/zinc/78/68/58/541786858.db2.gz RYOXPCQMRWYFFO-MRXNPFEDSA-N 1 0 372.494 2.266 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000072149800 541788640 /nfs/dbraw/zinc/78/86/40/541788640.db2.gz JGCFGWDTTQQVCJ-UHFFFAOYSA-N 1 0 354.389 2.011 50 0 FEAARO Cc1cccc(C)c1C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072149336 541788861 /nfs/dbraw/zinc/78/88/61/541788861.db2.gz RNWFEOZPUGRDCH-JOCHJYFZSA-N 1 0 363.461 2.279 50 0 FEAARO Cc1ccc2[nH]c(CCC(=O)N3CCC[C@](O)(C[NH+](C)C)C3)nc2c1C ZINC000072153034 541790997 /nfs/dbraw/zinc/79/09/97/541790997.db2.gz IMJRCOFDOSMSJE-FQEVSTJZSA-N 1 0 358.486 2.027 50 0 FEAARO Cc1c(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)cnc2ccnn21 ZINC000072154178 541790689 /nfs/dbraw/zinc/79/06/89/541790689.db2.gz HPEWPPXUASWSOR-SFHVURJKSA-N 1 0 363.465 2.475 50 0 FEAARO CC(C)[NH+]1CCN(CCNc2nc(C3CCCC3)nc3c2cnn3C)CC1 ZINC000072154279 541790870 /nfs/dbraw/zinc/79/08/70/541790870.db2.gz MVGDJRPTYRMXNM-UHFFFAOYSA-N 1 0 371.533 2.459 50 0 FEAARO Cc1cc(=O)c(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000072157794 541791336 /nfs/dbraw/zinc/79/13/36/541791336.db2.gz NDNHXSISCFLBPX-QGZVFWFLSA-N 1 0 351.450 2.045 50 0 FEAARO Cc1ccccc1NC(=O)N1C[C@@H](O)[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000072165482 541793887 /nfs/dbraw/zinc/79/38/87/541793887.db2.gz BXCPYFKGZGUYEZ-WOJBJXKFSA-N 1 0 351.450 2.329 50 0 FEAARO C[N@@H+]1CCC[C@H](c2cc(NCCc3nc(-c4cccnc4)no3)ncn2)C1 ZINC000063870104 212035445 /nfs/dbraw/zinc/03/54/45/212035445.db2.gz QYSFMDHUEIQCTQ-HNNXBMFYSA-N 1 0 365.441 2.385 50 0 FEAARO CN(CCOc1ccccc1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000072284189 541797421 /nfs/dbraw/zinc/79/74/21/541797421.db2.gz SFJAJXMJFHAARD-OAQYLSRUSA-N 1 0 354.450 2.161 50 0 FEAARO O[C@@]1(CNCc2ccccc2Cn2cccn2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063833383 212033586 /nfs/dbraw/zinc/03/35/86/212033586.db2.gz MOQOCZCEFNGZCJ-NHCUHLMSSA-N 1 0 354.498 2.400 50 0 FEAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000072304796 541797987 /nfs/dbraw/zinc/79/79/87/541797987.db2.gz SWYWGWPXRHJSOV-CQSZACIVSA-N 1 0 353.488 2.286 50 0 FEAARO COC(=O)[C@H](CC[NH+]1CCCCC1)NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000072306526 541798116 /nfs/dbraw/zinc/79/81/16/541798116.db2.gz CZSRBZWVAKYXSE-IKGGRYGDSA-N 1 0 354.491 2.116 50 0 FEAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000072419582 541808457 /nfs/dbraw/zinc/80/84/57/541808457.db2.gz VJWMTHPMDOVVNY-KRWDZBQOSA-N 1 0 360.550 2.075 50 0 FEAARO CC(C)(O)CCc1ccc(CN2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000072421117 541809285 /nfs/dbraw/zinc/80/92/85/541809285.db2.gz XWDHCBWXXVGUCQ-UHFFFAOYSA-N 1 0 356.514 2.404 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072428444 541812165 /nfs/dbraw/zinc/81/21/65/541812165.db2.gz QOOQMUVDXMJFPG-HNNXBMFYSA-N 1 0 361.515 2.088 50 0 FEAARO O=C(C1CC[NH+](CCO)CC1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000072440074 541814969 /nfs/dbraw/zinc/81/49/69/541814969.db2.gz QDHVIPVFZACTQQ-INIZCTEOSA-N 1 0 364.461 2.147 50 0 FEAARO O[C@@H]1CCN(c2nccc(C3(c4ccccc4Cl)CC[NH2+]CC3)n2)C1 ZINC000072447415 541816022 /nfs/dbraw/zinc/81/60/22/541816022.db2.gz UWRYBPAQSMOCTD-CQSZACIVSA-N 1 0 358.873 2.371 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)CC1 ZINC000072478328 541820066 /nfs/dbraw/zinc/82/00/66/541820066.db2.gz WVMHMUILIDHQLD-UHFFFAOYSA-N 1 0 373.541 2.242 50 0 FEAARO CCNC(=O)CN(CC)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058431466 212010178 /nfs/dbraw/zinc/01/01/78/212010178.db2.gz KRWBNFADOZVYAH-GOSISDBHSA-N 1 0 360.502 2.066 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccco1 ZINC000058246571 212000909 /nfs/dbraw/zinc/00/09/09/212000909.db2.gz MQCDVUXIBVYCOK-MRXNPFEDSA-N 1 0 354.414 2.068 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000058365157 212006559 /nfs/dbraw/zinc/00/65/59/212006559.db2.gz VIQNLKUNWHCSSN-KRWDZBQOSA-N 1 0 354.516 2.343 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375107 211634152 /nfs/dbraw/zinc/63/41/52/211634152.db2.gz DQHVGKHKMKJZNQ-INARBTAWSA-N 1 0 373.428 2.001 50 0 FEAARO O=C(NCC[NH+]1CCCCC1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000075550273 542186873 /nfs/dbraw/zinc/18/68/73/542186873.db2.gz WWXOTESDXFPMKW-UHFFFAOYSA-N 1 0 353.470 2.446 50 0 FEAARO O=C(NC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1)c1ccccc1 ZINC000025304917 211428852 /nfs/dbraw/zinc/42/88/52/211428852.db2.gz XQWKSROUERATQO-LJQANCHMSA-N 1 0 354.450 2.321 50 0 FEAARO CSc1ncc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cn1 ZINC000023374084 211387248 /nfs/dbraw/zinc/38/72/48/211387248.db2.gz SJQKJTIPZSNDFR-IBGZPJMESA-N 1 0 372.538 2.310 50 0 FEAARO CCOC(=O)N1CCC(N2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)CC1 ZINC000022932735 211371465 /nfs/dbraw/zinc/37/14/65/211371465.db2.gz REHUWTJTARZEPG-SFHVURJKSA-N 1 0 355.523 2.022 50 0 FEAARO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000022086362 211337373 /nfs/dbraw/zinc/33/73/73/211337373.db2.gz NMWDVLGNFBMQGS-HNNXBMFYSA-N 1 0 374.485 2.207 50 0 FEAARO CC(C)C[NH+](CCNC(=O)Cn1ncc2ccsc2c1=O)CC(C)C ZINC000020860083 211297678 /nfs/dbraw/zinc/29/76/78/211297678.db2.gz MBPQHYGYALUQTG-UHFFFAOYSA-N 1 0 364.515 2.188 50 0 FEAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]C(C)C)CN1Cc1ccc(Cl)cc1 ZINC000020776733 211295625 /nfs/dbraw/zinc/29/56/25/211295625.db2.gz DTMUPSBPWRNWGK-IRXDYDNUSA-N 1 0 353.894 2.044 50 0 FEAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020783394 211295722 /nfs/dbraw/zinc/29/57/22/211295722.db2.gz WMMJLMXYDJUCCJ-KRWDZBQOSA-N 1 0 366.502 2.237 50 0 FEAARO CCOC(=O)c1nn(CC[NH+](C)C)c2c1CN(Cc1ccccc1)CC2 ZINC000020778473 211295478 /nfs/dbraw/zinc/29/54/78/211295478.db2.gz NSTMHBJWVOVLRA-UHFFFAOYSA-N 1 0 356.470 2.180 50 0 FEAARO COC[C@H]1CC[N@H+](Cc2c(C(=O)N3CCCCC3)nc3sccn23)C1 ZINC000020450488 211279693 /nfs/dbraw/zinc/27/96/93/211279693.db2.gz CMQXKPNVNSRHRX-AWEZNQCLSA-N 1 0 362.499 2.490 50 0 FEAARO COc1ccc(CN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(OC)c1OC ZINC000020232348 211272790 /nfs/dbraw/zinc/27/27/90/211272790.db2.gz LTSZDOYFKYYONZ-IRXDYDNUSA-N 1 0 364.486 2.134 50 0 FEAARO CC[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000019885656 211258859 /nfs/dbraw/zinc/25/88/59/211258859.db2.gz QOHAERYEFNYIPK-UHFFFAOYSA-N 1 0 371.934 2.131 50 0 FEAARO CCN1C(=O)C[C@H]([NH+]2CCC(CCc3ccc(OC)c(OC)c3)CC2)C1=O ZINC000018217926 211195588 /nfs/dbraw/zinc/19/55/88/211195588.db2.gz RUOAPPDBLRATTI-KRWDZBQOSA-N 1 0 374.481 2.496 50 0 FEAARO Cc1ccc(CCC(=O)NCc2nnc(SCC[NH+](C)C)n2C)cc1 ZINC000014994686 211113325 /nfs/dbraw/zinc/11/33/25/211113325.db2.gz DWNDVGWORHJYSM-UHFFFAOYSA-N 1 0 361.515 2.026 50 0 FEAARO O=C(CCC1CC[NH+](Cc2ccc3nonc3c2)CC1)N1CCOCC1 ZINC000014967120 211109431 /nfs/dbraw/zinc/10/94/31/211109431.db2.gz PKAQMUJOYOFNFW-UHFFFAOYSA-N 1 0 358.442 2.074 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]C3CCCC3)C2=O)c1 ZINC000014974118 211109464 /nfs/dbraw/zinc/10/94/64/211109464.db2.gz MVEFKKVQPKSMEI-LJQANCHMSA-N 1 0 350.434 2.220 50 0 FEAARO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH+]1CCCCC1)C2 ZINC000014541954 211095079 /nfs/dbraw/zinc/09/50/79/211095079.db2.gz ILGGGGLLCXFQNO-INIZCTEOSA-N 1 0 360.502 2.109 50 0 FEAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014747172 211100994 /nfs/dbraw/zinc/10/09/94/211100994.db2.gz KAZWMCWAXPDSCM-UHFFFAOYSA-N 1 0 373.497 2.383 50 0 FEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCSC)C2 ZINC000014744450 211100532 /nfs/dbraw/zinc/10/05/32/211100532.db2.gz QKVGWFWFBADVSA-AWEZNQCLSA-N 1 0 350.532 2.339 50 0 FEAARO CSc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@H](CC(C)C)C(=O)N3C2)c1 ZINC000014740668 211099616 /nfs/dbraw/zinc/09/96/16/211099616.db2.gz RTOLZWYNYHXECY-UAGQMJEPSA-N 1 0 361.511 2.012 50 0 FEAARO C[NH+](C)CCNC(=S)N1CCN(Cc2csc3ccccc23)CC1 ZINC000014160831 211078524 /nfs/dbraw/zinc/07/85/24/211078524.db2.gz HAJOBFKLZKFXLJ-UHFFFAOYSA-N 1 0 362.568 2.455 50 0 FEAARO COc1cccc(CNCCC[NH2+]CCO)c1OCc1ccccc1F ZINC000013732845 211054715 /nfs/dbraw/zinc/05/47/15/211054715.db2.gz VMYNCHFNIRYEKG-UHFFFAOYSA-N 1 0 362.445 2.475 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013056206 211022204 /nfs/dbraw/zinc/02/22/04/211022204.db2.gz IOMDUXRNTWQOQX-KBPBESRZSA-N 1 0 367.515 2.162 50 0 FEAARO O=C(C[C@H]1Oc2ccccc2NC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012974477 211013853 /nfs/dbraw/zinc/01/38/53/211013853.db2.gz WCWCOAFGXMEQGC-CRAIPNDOSA-N 1 0 369.421 2.323 50 0 FEAARO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000012072514 210911994 /nfs/dbraw/zinc/91/19/94/210911994.db2.gz POPUVSRHKWHOBI-KRWDZBQOSA-N 1 0 371.485 2.189 50 0 FEAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)no1 ZINC000010333485 210358091 /nfs/dbraw/zinc/35/80/91/210358091.db2.gz ITPLPNMZNOJNAE-KRWDZBQOSA-N 1 0 366.421 2.494 50 0 FEAARO CCN1CCC([NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)CC1 ZINC000077470070 542385986 /nfs/dbraw/zinc/38/59/86/542385986.db2.gz FPHAUTKUUYRNAV-UHFFFAOYSA-N 1 0 360.550 2.075 50 0 FEAARO Cc1ccccc1N1CCCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000077486902 542388038 /nfs/dbraw/zinc/38/80/38/542388038.db2.gz KWBKXCHDRZXMHN-IBGZPJMESA-N 1 0 353.466 2.309 50 0 FEAARO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1S(N)(=O)=O ZINC000009337799 210271345 /nfs/dbraw/zinc/27/13/45/210271345.db2.gz AYDQVYFUEGEDBR-HUUCEWRRSA-N 1 0 365.499 2.093 50 0 FEAARO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2cccs2)c2ccsc2)CC1 ZINC000022767095 220397175 /nfs/dbraw/zinc/39/71/75/220397175.db2.gz LPGRKDINPGRAQX-AWEZNQCLSA-N 1 0 371.553 2.077 50 0 FEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000048288391 221005850 /nfs/dbraw/zinc/00/58/50/221005850.db2.gz JLWAPLMHKNWITH-INIZCTEOSA-N 1 0 351.406 2.022 50 0 FEAARO Cc1ncccc1OC1(C(=O)N[C@H](C)Cc2ccncc2)CC[NH2+]CC1 ZINC000065372024 221204792 /nfs/dbraw/zinc/20/47/92/221204792.db2.gz IEAALMFPZSNAKU-OAHLLOKOSA-N 1 0 354.454 2.033 50 0 FEAARO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(Oc2ncccn2)CC1 ZINC000065383975 221207865 /nfs/dbraw/zinc/20/78/65/221207865.db2.gz RMUBMUQWQVVNBC-LJQANCHMSA-N 1 0 366.465 2.293 50 0 FEAARO Cc1cc(C[C@H](C)NC(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)[nH]n1 ZINC000065407095 221214795 /nfs/dbraw/zinc/21/47/95/221214795.db2.gz CYOHOQOKABKLFV-HNNXBMFYSA-N 1 0 356.470 2.275 50 0 FEAARO COc1cccc2c1OCCCN(c1nc(C)nc3c1CC[NH2+]CC3)C2 ZINC000065410554 221216418 /nfs/dbraw/zinc/21/64/18/221216418.db2.gz PKVOLDYLIRNKBV-UHFFFAOYSA-N 1 0 354.454 2.271 50 0 FEAARO CC1=C(C(=O)NCC[NH+](C)C)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1 ZINC000065435514 221219394 /nfs/dbraw/zinc/21/93/94/221219394.db2.gz LNTQUKBJGJHCLN-CQSZACIVSA-N 1 0 370.375 2.011 50 0 FEAARO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCCC[NH+]1CCOCC1 ZINC000065475830 221224615 /nfs/dbraw/zinc/22/46/15/221224615.db2.gz QNWNUGDAMSPWMW-UHFFFAOYSA-N 1 0 374.485 2.121 50 0 FEAARO C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000065505149 221227815 /nfs/dbraw/zinc/22/78/15/221227815.db2.gz VGKKELZSWMMUAW-UONOGXRCSA-N 1 0 352.429 2.185 50 0 FEAARO CC(C)[NH+]1CCC(C(=O)NCCc2csc(-c3ncccn3)n2)CC1 ZINC000065535746 221232519 /nfs/dbraw/zinc/23/25/19/221232519.db2.gz GHLARZAITPDHHU-UHFFFAOYSA-N 1 0 359.499 2.379 50 0 FEAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000065674575 221235637 /nfs/dbraw/zinc/23/56/37/221235637.db2.gz KBOSIPKOOZNNNK-CABCVRRESA-N 1 0 356.470 2.092 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000066619810 221246674 /nfs/dbraw/zinc/24/66/74/221246674.db2.gz DJNMYFHNMPWHAU-MRXNPFEDSA-N 1 0 364.453 2.338 50 0 FEAARO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067434824 221254072 /nfs/dbraw/zinc/25/40/72/221254072.db2.gz YPUHORJNHBUAAW-INIZCTEOSA-N 1 0 366.469 2.291 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(CN2CCc3ccccc3C2)on1 ZINC000067514140 221258409 /nfs/dbraw/zinc/25/84/09/221258409.db2.gz GVZQXTOMYBYTHR-GOSISDBHSA-N 1 0 368.481 2.399 50 0 FEAARO CCNc1nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc(C)[nH+]1 ZINC000067603608 221261463 /nfs/dbraw/zinc/26/14/63/221261463.db2.gz NRKWYCULJVUIQJ-UHFFFAOYSA-N 1 0 361.396 2.457 50 0 FEAARO CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)c1nnc2n1CC[NH2+]CC2 ZINC000067678508 221270650 /nfs/dbraw/zinc/27/06/50/221270650.db2.gz RWLJFPBNQIQGGW-SFHVURJKSA-N 1 0 364.453 2.099 50 0 FEAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2C[NH2+]CCO2)CCO3)s1 ZINC000067818961 221289856 /nfs/dbraw/zinc/28/98/56/221289856.db2.gz UKTRFDPRWKHAFI-INIZCTEOSA-N 1 0 374.462 2.139 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(-c2ccc(C)cc2)c1 ZINC000067743471 221280287 /nfs/dbraw/zinc/28/02/87/221280287.db2.gz UCCKOAPFGDBNHB-OALUTQOASA-N 1 0 351.450 2.340 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)N1CCOCC1 ZINC000067772665 221283717 /nfs/dbraw/zinc/28/37/17/221283717.db2.gz RUWZGLMMQXQXEU-HXUWFJFHSA-N 1 0 371.525 2.222 50 0 FEAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]CCc3ncccc3C)C2=O)c1 ZINC000067843590 221293378 /nfs/dbraw/zinc/29/33/78/221293378.db2.gz QJRLNGJDKQMRBK-JOCHJYFZSA-N 1 0 367.493 2.384 50 0 FEAARO C[NH+](C)CC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067982886 221311799 /nfs/dbraw/zinc/31/17/99/221311799.db2.gz WPWYRALFDUDGBV-UHFFFAOYSA-N 1 0 361.829 2.390 50 0 FEAARO Cc1ccn(CC[NH2+]C[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)n1 ZINC000067895752 221302395 /nfs/dbraw/zinc/30/23/95/221302395.db2.gz QELLVEBMSOPIRD-FQEVSTJZSA-N 1 0 362.518 2.105 50 0 FEAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@H](Cn3ccnc3)C2)CC1 ZINC000067910428 221304469 /nfs/dbraw/zinc/30/44/69/221304469.db2.gz WKIMDIJZDIWWSR-QGZVFWFLSA-N 1 0 353.470 2.295 50 0 FEAARO Cc1cccc(C)c1OCc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)no1 ZINC000067920650 221305086 /nfs/dbraw/zinc/30/50/86/221305086.db2.gz UPZQUXVOZCQUTF-UHFFFAOYSA-N 1 0 373.453 2.057 50 0 FEAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]CC1(O)CCCCC1 ZINC000071278517 221337406 /nfs/dbraw/zinc/33/74/06/221337406.db2.gz DEONJSSKPZLSQW-JOCHJYFZSA-N 1 0 374.525 2.258 50 0 FEAARO O=C1CCCN1CCCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000071315601 221341809 /nfs/dbraw/zinc/34/18/09/221341809.db2.gz HYDCFBCSTOAAFT-UHFFFAOYSA-N 1 0 351.454 2.214 50 0 FEAARO C[NH2+]CCCNC(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071498528 221350016 /nfs/dbraw/zinc/35/00/16/221350016.db2.gz JNMHWJSACUNCEY-JOCHJYFZSA-N 1 0 365.477 2.259 50 0 FEAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)c1ccc2nnnn2c1 ZINC000072411399 221502547 /nfs/dbraw/zinc/50/25/47/221502547.db2.gz ZLYMUCLJPKPKGY-UHFFFAOYSA-N 1 0 356.474 2.385 50 0 FEAARO O=C([O-])[C@@H]1CC2(C[NH2+]1)CC[NH+](Cc1cnc(-c3cccs3)nc1)CC2 ZINC000082121913 542685159 /nfs/dbraw/zinc/68/51/59/542685159.db2.gz HSOHPNYLKPOPAI-AWEZNQCLSA-N 1 0 358.467 2.234 50 0 FEAARO O=C(NCC[NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccccc1Cl ZINC000082137837 542685266 /nfs/dbraw/zinc/68/52/66/542685266.db2.gz AVLFJZOGSZORNL-AWEZNQCLSA-N 1 0 352.862 2.388 50 0 FEAARO CCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091780620 132203907 /nfs/dbraw/zinc/20/39/07/132203907.db2.gz BBTFYPJEQACPDQ-MOPGFXCFSA-N 1 0 372.513 2.453 50 0 FEAARO C[C@@H](C1CCN(C(=O)CN2c3ccccc3CN(C)C2=O)CC1)[NH+](C)C ZINC000091830108 132204091 /nfs/dbraw/zinc/20/40/91/132204091.db2.gz WEHMQRBFNZMIHC-HNNXBMFYSA-N 1 0 358.486 2.247 50 0 FEAARO Cc1nnsc1CN(C)C(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095368019 132208276 /nfs/dbraw/zinc/20/82/76/132208276.db2.gz YCCPBDLIAICUGY-UHFFFAOYSA-N 1 0 373.526 2.326 50 0 FEAARO Cc1ncnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](C4CCCC4)C3)CC2)c1C ZINC000095392482 132210764 /nfs/dbraw/zinc/21/07/64/132210764.db2.gz IWEBTSFHAFCVSM-GOSISDBHSA-N 1 0 371.529 2.397 50 0 FEAARO Cc1cccc(C[NH+]2CCN(c3cc(N4CCC(O)CC4)ncn3)CC2)c1 ZINC000095507090 132212805 /nfs/dbraw/zinc/21/28/05/132212805.db2.gz FURDCSUHKGTAAF-UHFFFAOYSA-N 1 0 367.497 2.068 50 0 FEAARO Cc1cccnc1C[C@@H](C)[NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095517747 132213674 /nfs/dbraw/zinc/21/36/74/132213674.db2.gz YKAUDRKWPXHVNC-CQSZACIVSA-N 1 0 351.458 2.246 50 0 FEAARO Cc1ccccc1C[C@@H](C)[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000097165387 132228166 /nfs/dbraw/zinc/22/81/66/132228166.db2.gz OBCYTPNJBXOUAJ-QGZVFWFLSA-N 1 0 373.522 2.396 50 0 FEAARO CCc1cc(N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)n2nc(C)c(C)c2n1 ZINC000106957298 132241029 /nfs/dbraw/zinc/24/10/29/132241029.db2.gz VUCTWIXYRNOVPH-SFHVURJKSA-N 1 0 357.502 2.192 50 0 FEAARO CSCC[C@@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000237515561 132248120 /nfs/dbraw/zinc/24/81/20/132248120.db2.gz XRXQHVRUYMEULE-GFCCVEGCSA-N 1 0 363.314 2.117 50 0 FEAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](c4ccncn4)C3)cc2)CC1 ZINC000215057470 132269739 /nfs/dbraw/zinc/26/97/39/132269739.db2.gz HVZPFOAYZYMKQF-GOSISDBHSA-N 1 0 365.481 2.248 50 0 FEAARO Cc1nccn1CC1CCN(c2cc(C3CC([NH3+])C3)nc(N(C)C)n2)CC1 ZINC000219845865 132274674 /nfs/dbraw/zinc/27/46/74/132274674.db2.gz CMCKIFLCQNWWOS-UHFFFAOYSA-N 1 0 369.517 2.169 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(OCc3ccccc3)CC2)n1 ZINC000220002687 132275676 /nfs/dbraw/zinc/27/56/76/132275676.db2.gz UEDOXMOQPIGCBU-UHFFFAOYSA-N 1 0 353.470 2.449 50 0 FEAARO CCc1cc(N2CC[NH+](C[C@H]3CC(=O)N(c4ccccc4)C3)CC2)ncn1 ZINC000299791161 132300184 /nfs/dbraw/zinc/30/01/84/132300184.db2.gz DTMPYWPYOHMEFA-QGZVFWFLSA-N 1 0 365.481 2.214 50 0 FEAARO Cc1ccc(N2CC[NH+](CCCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1 ZINC000002183395 132382723 /nfs/dbraw/zinc/38/27/23/132382723.db2.gz HRJHDAXXWFXELB-IBGZPJMESA-N 1 0 370.497 2.324 50 0 FEAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000089960843 542776543 /nfs/dbraw/zinc/77/65/43/542776543.db2.gz QIRJBVMORQZHHD-NWDGAFQWSA-N 1 0 358.408 2.334 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(Cc3cccc(F)c3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452346 542807955 /nfs/dbraw/zinc/80/79/55/542807955.db2.gz AYGHTXPVIDGFGP-YALNPMBYSA-N 1 0 354.441 2.114 50 0 FEAARO C[N@@H+]1CC[C@@H](N2CC3(CCC2=O)CCN(C(=O)Cc2ccccc2)CC3)C1 ZINC000091620015 542816160 /nfs/dbraw/zinc/81/61/60/542816160.db2.gz KHUMVQALJGNUFU-LJQANCHMSA-N 1 0 369.509 2.164 50 0 FEAARO Cc1nnc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)[nH]1 ZINC000091747113 542823780 /nfs/dbraw/zinc/82/37/80/542823780.db2.gz HMYWSZWNUNARQH-RBUKOAKNSA-N 1 0 367.497 2.211 50 0 FEAARO CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091793957 542826051 /nfs/dbraw/zinc/82/60/51/542826051.db2.gz YXJQYPGHTGENPJ-PIKOESSRSA-N 1 0 362.514 2.235 50 0 FEAARO CC(C)N1CCC[C@]2(CC[N@H+](CCCOc3ccc(C(N)=O)cc3)C2)C1=O ZINC000091849355 542829399 /nfs/dbraw/zinc/82/93/99/542829399.db2.gz JMKMDZNOJKWYNB-OAQYLSRUSA-N 1 0 373.497 2.277 50 0 FEAARO Cc1cccc2[nH]c(C3CCN(C(=O)CN4CC[C@@H]([NH+](C)C)C4)CC3)nc21 ZINC000091986941 542835119 /nfs/dbraw/zinc/83/51/19/542835119.db2.gz AUFQJEHBSPHXHS-QGZVFWFLSA-N 1 0 369.513 2.213 50 0 FEAARO OCCC[C@@H]1CN(c2noc(-c3ccccc3)n2)CC[C@@H]1[NH+]1CCOCC1 ZINC000092028640 542838927 /nfs/dbraw/zinc/83/89/27/542838927.db2.gz IJEXMEZRQYPWTB-MSOLQXFVSA-N 1 0 372.469 2.036 50 0 FEAARO COc1ccccc1CNC(=O)CN1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000092097990 542844694 /nfs/dbraw/zinc/84/46/94/542844694.db2.gz WJEVHMKUNGDLNG-PKOBYXMFSA-N 1 0 357.498 2.118 50 0 FEAARO Cn1ncc2c1nc(N1CCC([NH+]3CCCCC3)CC1)nc2N1CCCC1 ZINC000033266216 136117539 /nfs/dbraw/zinc/11/75/39/136117539.db2.gz YQTZMNJQGLHAKB-UHFFFAOYSA-N 1 0 369.517 2.418 50 0 FEAARO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1CCCO1 ZINC000034668623 136117722 /nfs/dbraw/zinc/11/77/22/136117722.db2.gz OXPJVNKGSKMDIH-KRWDZBQOSA-N 1 0 351.878 2.147 50 0 FEAARO CC1CCN(c2ccc(-c3noc(C(=O)NCC[NH+](C)C)n3)cc2)CC1 ZINC000064746385 136133755 /nfs/dbraw/zinc/13/37/55/136133755.db2.gz BOCVJNQPCVOZTC-UHFFFAOYSA-N 1 0 357.458 2.264 50 0 FEAARO O=C(NCc1nnc(-c2ccncc2)[nH]1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095371504 542962578 /nfs/dbraw/zinc/96/25/78/542962578.db2.gz UMTTZSCVGLVFOA-KRWDZBQOSA-N 1 0 362.437 2.264 50 0 FEAARO CN1CC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](c2ccccc2)C1=O ZINC000095370946 542962608 /nfs/dbraw/zinc/96/26/08/542962608.db2.gz XJGQYFQKKMPMAM-LJQANCHMSA-N 1 0 369.509 2.337 50 0 FEAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCC(CCN3CCCC3=O)CC2)n1 ZINC000067640936 136137350 /nfs/dbraw/zinc/13/73/50/136137350.db2.gz CEWNVHGPKOHXGO-SFHVURJKSA-N 1 0 371.529 2.481 50 0 FEAARO Cc1cccc(N2CCN(CC(=O)N3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC000071759406 136140494 /nfs/dbraw/zinc/14/04/94/136140494.db2.gz DLXAVFUNYVACQJ-UHFFFAOYSA-N 1 0 370.541 2.109 50 0 FEAARO Cc1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1ccccc1F)CC2 ZINC000072409021 136145309 /nfs/dbraw/zinc/14/53/09/136145309.db2.gz OZWOHTBSVJDSBU-UHFFFAOYSA-N 1 0 356.445 2.362 50 0 FEAARO CC(C)c1cncnc1N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072418070 136145652 /nfs/dbraw/zinc/14/56/52/136145652.db2.gz DJKBGZRARLGYCS-HXUWFJFHSA-N 1 0 359.518 2.371 50 0 FEAARO Cc1nc(C)c(C)c(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)n1 ZINC000072447233 136148011 /nfs/dbraw/zinc/14/80/11/136148011.db2.gz ROUPWKSGABQZJP-FQEVSTJZSA-N 1 0 359.518 2.172 50 0 FEAARO O=C(CC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)CCC2 ZINC000028844115 136153514 /nfs/dbraw/zinc/15/35/14/136153514.db2.gz BPAMLMGGLGEBFB-UHFFFAOYSA-N 1 0 351.454 2.116 50 0 FEAARO O=C(NCc1ccc(-n2cncn2)cc1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095352547 542957178 /nfs/dbraw/zinc/95/71/78/542957178.db2.gz UAQOMLBERPLHNV-KRWDZBQOSA-N 1 0 365.437 2.389 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(Cc2ccncc2)CC1 ZINC000095355035 542958035 /nfs/dbraw/zinc/95/80/35/542958035.db2.gz AKUODXGHXCKFOS-LJQANCHMSA-N 1 0 368.481 2.231 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(CCc2ccccc2)C(=O)C1 ZINC000095366996 542960847 /nfs/dbraw/zinc/96/08/47/542960847.db2.gz LLCATDMJRDTWSH-LJQANCHMSA-N 1 0 357.498 2.164 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)Cc3cnc[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095364221 542961090 /nfs/dbraw/zinc/96/10/90/542961090.db2.gz BCTPYSNWLLOHJQ-HMXCVIKNSA-N 1 0 366.465 2.050 50 0 FEAARO Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)nc2c1CCC2 ZINC000095388075 542966881 /nfs/dbraw/zinc/96/68/81/542966881.db2.gz YKWMJCUAJISBED-MRXNPFEDSA-N 1 0 368.481 2.438 50 0 FEAARO CSc1ccccc1C(=O)N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000095388154 542967063 /nfs/dbraw/zinc/96/70/63/542967063.db2.gz KCPUBFYFPMRSFL-IBGZPJMESA-N 1 0 361.511 2.177 50 0 FEAARO CSc1ccccc1C(=O)N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000095388155 542967154 /nfs/dbraw/zinc/96/71/54/542967154.db2.gz KCPUBFYFPMRSFL-LJQANCHMSA-N 1 0 361.511 2.177 50 0 FEAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)cc1OC ZINC000095918130 542982727 /nfs/dbraw/zinc/98/27/27/542982727.db2.gz BSBFFZUTKRZHII-GOSISDBHSA-N 1 0 373.449 2.478 50 0 FEAARO CCn1ncc(C(=O)N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c1C ZINC000095522201 542980205 /nfs/dbraw/zinc/98/02/05/542980205.db2.gz LMMMVRCOTKZTMD-KRWDZBQOSA-N 1 0 372.517 2.379 50 0 FEAARO COCC[N@@H+]1CCC[C@@H](C(=O)N2CCc3[nH]c(-c4ccccc4)nc3C2)C1 ZINC000095526882 542980955 /nfs/dbraw/zinc/98/09/55/542980955.db2.gz XXEDKBSQFBNCQO-QGZVFWFLSA-N 1 0 368.481 2.320 50 0 FEAARO CN(C)C(=O)c1[nH]nc2c1C[N@H+](C[C@H]1CCOc3ccccc3C1)CC2 ZINC000095529397 542981677 /nfs/dbraw/zinc/98/16/77/542981677.db2.gz LRHIZGKXTIVJKP-AWEZNQCLSA-N 1 0 354.454 2.111 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 ZINC000095528104 542982054 /nfs/dbraw/zinc/98/20/54/542982054.db2.gz BVXZENGQHGZNDO-GOSISDBHSA-N 1 0 374.460 2.023 50 0 FEAARO COc1ccc([C@H](O)C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000077319426 221605305 /nfs/dbraw/zinc/60/53/05/221605305.db2.gz GSFVRLDSHCXIIT-IBGZPJMESA-N 1 0 355.438 2.171 50 0 FEAARO O=C1N(Cc2cscn2)C(=O)C2(CC[NH2+]CC2)N1CCc1ccccc1 ZINC000095359501 221861192 /nfs/dbraw/zinc/86/11/92/221861192.db2.gz QEFFMGAVLUJOQK-UHFFFAOYSA-N 1 0 370.478 2.272 50 0 FEAARO COCCc1noc([C@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000095361867 221862721 /nfs/dbraw/zinc/86/27/21/221862721.db2.gz GMCFIAKIKQABJW-INIZCTEOSA-N 1 0 364.490 2.085 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCc1nc(Cn2cncn2)nn1Cc1ccccc1 ZINC000096137616 222040553 /nfs/dbraw/zinc/04/05/53/222040553.db2.gz VUYJSTKGJSUILI-SFHVURJKSA-N 1 0 365.485 2.383 50 0 FEAARO Cc1cc(Cl)ccc1OCCN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000096139490 222042561 /nfs/dbraw/zinc/04/25/61/222042561.db2.gz TWZCUXUBMQKNLL-MRXNPFEDSA-N 1 0 365.905 2.171 50 0 FEAARO Cc1cc(=O)[nH]c2cc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)ccc12 ZINC000096160209 222060227 /nfs/dbraw/zinc/06/02/27/222060227.db2.gz ZIWUDARPQGLRLK-MRXNPFEDSA-N 1 0 372.469 2.411 50 0 FEAARO COc1ccc(NC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c(F)c1 ZINC000096180916 222069002 /nfs/dbraw/zinc/06/90/02/222069002.db2.gz YFJSLTTUULUZJA-GOSISDBHSA-N 1 0 362.449 2.078 50 0 FEAARO c1cc(OCCCN2CCOCC2)ccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097155841 222164450 /nfs/dbraw/zinc/16/44/50/222164450.db2.gz JWHXWVQLTUTWJT-QFIPXVFZSA-N 1 0 373.541 2.363 50 0 FEAARO CN(C(=O)c1ccc2c(c1)ncn2CCO)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097370578 222177382 /nfs/dbraw/zinc/17/73/82/222177382.db2.gz ANIDWMZLYYRBPV-FQEVSTJZSA-N 1 0 366.465 2.404 50 0 FEAARO C[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000097618001 222200374 /nfs/dbraw/zinc/20/03/74/222200374.db2.gz MCDCVHCXOJMKCW-QGZVFWFLSA-N 1 0 371.506 2.253 50 0 FEAARO Cc1ocnc1C(=O)N1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000097681940 222205872 /nfs/dbraw/zinc/20/58/72/222205872.db2.gz NRMBDRSKFKAUQI-UHFFFAOYSA-N 1 0 368.481 2.405 50 0 FEAARO Nc1nc(CCC(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)cs1 ZINC000097729802 222208773 /nfs/dbraw/zinc/20/87/73/222208773.db2.gz HYBWQIPZWYTOQF-INIZCTEOSA-N 1 0 359.499 2.396 50 0 FEAARO COc1c[nH]c(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000102533516 222297813 /nfs/dbraw/zinc/29/78/13/222297813.db2.gz KEMPURIPCKRKBV-INIZCTEOSA-N 1 0 355.438 2.026 50 0 FEAARO CC(C)(C)[NH+]1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000193444804 328375934 /nfs/dbraw/zinc/37/59/34/328375934.db2.gz WVUQYIBIFGAGNP-UHFFFAOYSA-N 1 0 357.458 2.443 50 0 FEAARO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N1CCCC[C@@H]1c1ncon1 ZINC000175220636 327380861 /nfs/dbraw/zinc/38/08/61/327380861.db2.gz CNPCRTGOZIMYKB-ZWKOTPCHSA-N 1 0 370.453 2.414 50 0 FEAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(N)n3)cc2)C[C@@H](C)O1 ZINC000272300201 329768218 /nfs/dbraw/zinc/76/82/18/329768218.db2.gz GYGFTMKQWBRKHA-HUUCEWRRSA-N 1 0 354.454 2.203 50 0 FEAARO CCN(CC)C(=O)N1CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000036396593 517637020 /nfs/dbraw/zinc/63/70/20/517637020.db2.gz PXIDSTYQUQRXFC-UHFFFAOYSA-N 1 0 354.539 2.395 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccsc1 ZINC000089967766 520837100 /nfs/dbraw/zinc/83/71/00/520837100.db2.gz LLSLCJLTBKDMOH-ZBFHGGJFSA-N 1 0 361.515 2.410 50 0 FEAARO C[NH2+]C1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000179132624 521950576 /nfs/dbraw/zinc/95/05/76/521950576.db2.gz SVOXLKZJAREHQH-UHFFFAOYSA-N 1 0 357.248 2.290 50 0 FEAARO CNc1nc(NCc2cc3n(n2)CCCN(C(=O)C2CCC2)C3)cc(C)[nH+]1 ZINC000082161988 522678979 /nfs/dbraw/zinc/67/89/79/522678979.db2.gz JWEFIVXHMSHWHX-UHFFFAOYSA-N 1 0 369.473 2.168 50 0 FEAARO CC[C@@H]1CN(C(=O)c2ccc(OCCNC(C)=O)cc2)CC[N@@H+]1C(C)C ZINC000091563439 523426308 /nfs/dbraw/zinc/42/63/08/523426308.db2.gz GVOLBKBFZQHGDN-GOSISDBHSA-N 1 0 361.486 2.146 50 0 FEAARO CCn1ccnc1[C@@H]1CCCN(C(=O)CSCC[NH+]2CCCC2)C1 ZINC000091625256 523555759 /nfs/dbraw/zinc/55/57/59/523555759.db2.gz VRQOFXDNUQHZCL-MRXNPFEDSA-N 1 0 350.532 2.438 50 0 FEAARO CN(Cc1nccs1)C(=O)c1ccc([C@H]2CCCN2C(=O)C[NH3+])s1 ZINC000020450983 523601946 /nfs/dbraw/zinc/60/19/46/523601946.db2.gz XQQRDGDUMLSPHB-LLVKDONJSA-N 1 0 364.496 2.099 50 0 FEAARO COc1cccc([C@@H]2C[N@H+](C[C@H]3CC[C@@H]([NH3+])CC3)C[C@H]2C(=O)[O-])c1OC ZINC000248127235 524123097 /nfs/dbraw/zinc/12/30/97/524123097.db2.gz GXIGLMFEGMOYGL-HDEZJCGLSA-N 1 0 362.470 2.321 50 0 FEAARO CSc1ncc(C(=O)NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)cn1 ZINC000082147014 526219626 /nfs/dbraw/zinc/21/96/26/526219626.db2.gz BTXWFKSGZKSNOA-UHFFFAOYSA-N 1 0 374.514 2.187 50 0 FEAARO c1ccc([C@H]([NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)c2ccccn2)cc1 ZINC000241775897 526497285 /nfs/dbraw/zinc/49/72/85/526497285.db2.gz RQAHSMVLVHZAIK-BVSLBCMMSA-N 1 0 367.493 2.498 50 0 FEAARO O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238097004 526808728 /nfs/dbraw/zinc/80/87/28/526808728.db2.gz ZWZJDDRXKXCGHZ-QWHCGFSZSA-N 1 0 371.384 2.168 50 0 FEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1csc(Cc2ccccc2)n1 ZINC000082115194 527074531 /nfs/dbraw/zinc/07/45/31/527074531.db2.gz IHYISASMAQLZKO-RDJZCZTQSA-N 1 0 357.479 2.327 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000158182506 527347123 /nfs/dbraw/zinc/34/71/23/527347123.db2.gz QSBMQOGIUVFCAP-MRXNPFEDSA-N 1 0 350.422 2.477 50 0 FEAARO CCC[NH+]1CCC(N2CCN(Cc3cn(C)nc3C(F)F)CC2)CC1 ZINC000170598065 546163858 /nfs/dbraw/zinc/16/38/58/546163858.db2.gz XIVORLHRVFGUQC-UHFFFAOYSA-N 1 0 355.477 2.350 50 0 FEAARO COC(=O)C(C)(C)CC[N@@H+]1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000170616042 546165622 /nfs/dbraw/zinc/16/56/22/546165622.db2.gz ROBWNJHWHNQAOR-UHFFFAOYSA-N 1 0 362.470 2.432 50 0 FEAARO CCN1CCO[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000172809597 546267500 /nfs/dbraw/zinc/26/75/00/546267500.db2.gz FPQXTPGFNCGDRT-HXUWFJFHSA-N 1 0 359.514 2.400 50 0 FEAARO CCCN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@H]1CC[NH2+]C1 ZINC000178883501 546867633 /nfs/dbraw/zinc/86/76/33/546867633.db2.gz WSZAFTGJHSUHNC-ZDUSSCGKSA-N 1 0 351.834 2.239 50 0 FEAARO CCCC[NH+]1CCC(NC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)CC1 ZINC000188148172 548272683 /nfs/dbraw/zinc/27/26/83/548272683.db2.gz HHLICEQDISMBSO-SFHVURJKSA-N 1 0 363.506 2.250 50 0 FEAARO Cn1c2ccccc2cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)c1=O ZINC000215033443 548668280 /nfs/dbraw/zinc/66/82/80/548668280.db2.gz WZVSOIJLTNRBCE-UHFFFAOYSA-N 1 0 371.506 2.192 50 0 FEAARO Cc1cc(CN2CCN(CC(N)=O)CC2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000216224863 548676131 /nfs/dbraw/zinc/67/61/31/548676131.db2.gz QOOQKOWMFYXWFH-UHFFFAOYSA-N 1 0 372.557 2.138 50 0 FEAARO Cc1nnc(SCCCNc2cc(C3CC([NH3+])C3)nc(N)n2)s1 ZINC000223363141 548719242 /nfs/dbraw/zinc/71/92/42/548719242.db2.gz YGNFTJQWXDPGGV-UHFFFAOYSA-N 1 0 351.505 2.018 50 0 FEAARO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000225437048 548734090 /nfs/dbraw/zinc/73/40/90/548734090.db2.gz HSKYMKBHHNCHQI-UYSNPLJNSA-N 1 0 367.559 2.457 50 0 FEAARO COC(=O)c1cc(NC(=O)CN2C[C@H]3CCCCC[C@H]32)cc(C(=O)OC)c1 ZINC000230173298 548759186 /nfs/dbraw/zinc/75/91/86/548759186.db2.gz SSWJWHDVVIPXOA-CXAGYDPISA-N 1 0 374.437 2.463 50 0 FEAARO CN1C(=O)CC[C@@H](C(=O)N2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237055039 548796894 /nfs/dbraw/zinc/79/68/94/548796894.db2.gz GPZVORKUHLCYNW-ZBFHGGJFSA-N 1 0 369.387 2.047 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Br ZINC000237575560 548835790 /nfs/dbraw/zinc/83/57/90/548835790.db2.gz BYPFRHYHNJQKPC-JOYOIKCWSA-N 1 0 365.268 2.479 50 0 FEAARO O=C([C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCC[NH2+]CC1 ZINC000237715815 548846227 /nfs/dbraw/zinc/84/62/27/548846227.db2.gz WMKGIMXYBWMJFU-LBPRGKRZSA-N 1 0 356.253 2.168 50 0 FEAARO O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000238106611 548878794 /nfs/dbraw/zinc/87/87/94/548878794.db2.gz JWUZVRJBGKSNSF-JKSUJKDBSA-N 1 0 365.433 2.310 50 0 FEAARO O=C(CN1CCC([N@@H+]2CCc3ccccc3C2)CC1)NCc1ccco1 ZINC000243885617 548888587 /nfs/dbraw/zinc/88/85/87/548888587.db2.gz AAWFKAUJIAHLIE-UHFFFAOYSA-N 1 0 353.466 2.419 50 0 FEAARO O=C(N1CCCN(Cc2cc(-c3ccncc3)no2)CC1)C(F)(F)F ZINC000244788039 548895234 /nfs/dbraw/zinc/89/52/34/548895234.db2.gz QICHWGNZHBQPEG-UHFFFAOYSA-N 1 0 354.332 2.333 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000244816743 548895733 /nfs/dbraw/zinc/89/57/33/548895733.db2.gz SNRVYDGZZBKHGI-INIZCTEOSA-N 1 0 361.511 2.332 50 0 FEAARO Cc1nc(-c2ccc(CNC(=O)CSCC[NH+]3CCCC3)cc2)no1 ZINC000244828571 548896307 /nfs/dbraw/zinc/89/63/07/548896307.db2.gz TYRGVDMOUORALI-UHFFFAOYSA-N 1 0 360.483 2.490 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000246189404 549073094 /nfs/dbraw/zinc/07/30/94/549073094.db2.gz CZRRUKIPWDACKR-OUCADQQQSA-N 1 0 360.376 2.031 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000248165621 549412932 /nfs/dbraw/zinc/41/29/32/549412932.db2.gz RIKSENJWSOQKEY-OALUTQOASA-N 1 0 357.498 2.448 50 0 FEAARO CC(C)C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1CCO ZINC000252489415 549668779 /nfs/dbraw/zinc/66/87/79/549668779.db2.gz JQOVUGBLTAYBHT-HNNXBMFYSA-N 1 0 371.884 2.442 50 0 FEAARO Cc1[nH]c2ccccc2c(=O)c1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000252500551 549670012 /nfs/dbraw/zinc/67/00/12/549670012.db2.gz SXOIDFIPGZNMBO-NRFANRHFSA-N 1 0 371.481 2.097 50 0 FEAARO CC(C)CCc1cc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)n(C)n1 ZINC000252508339 549671339 /nfs/dbraw/zinc/67/13/39/549671339.db2.gz XKPZSOQGGGTPGD-INIZCTEOSA-N 1 0 364.538 2.156 50 0 FEAARO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000253536602 549691522 /nfs/dbraw/zinc/69/15/22/549691522.db2.gz XMKDPVWJONMFJA-OAHLLOKOSA-N 1 0 373.428 2.406 50 0 FEAARO Cc1cc(=O)n(CC[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(=O)[nH]1 ZINC000253536623 549691632 /nfs/dbraw/zinc/69/16/32/549691632.db2.gz IUWWKHJJTPXPGR-OAHLLOKOSA-N 1 0 367.453 2.088 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cc(Br)c3c(c2)OCCO3)C1 ZINC000255055044 549703177 /nfs/dbraw/zinc/70/31/77/549703177.db2.gz XLQCVIXGVSKMGI-UDSFMNFJSA-N 1 0 367.243 2.041 50 0 FEAARO CC(=O)Nc1ccc(C(=O)N2C[C@@H]3C[N@H+](CC(C)C)CC[C@]3(CO)C2)cc1 ZINC000257178228 549712544 /nfs/dbraw/zinc/71/25/44/549712544.db2.gz ZMNKYNQBIRXMMN-GHTZIAJQSA-N 1 0 373.497 2.057 50 0 FEAARO Cc1ccc(C)c(NC(=O)N2CC[C@@H](c3nnc4n3CC[N@@H+](C)CC4)C2)c1 ZINC000257186204 549713358 /nfs/dbraw/zinc/71/33/58/549713358.db2.gz KEMJCOZBYULURB-MRXNPFEDSA-N 1 0 368.485 2.404 50 0 FEAARO Cc1ccn(CC(=O)N2CCC(n3c(C)cnc3[C@@H]3CCCO3)CC2)n1 ZINC000257189822 549714526 /nfs/dbraw/zinc/71/45/26/549714526.db2.gz KAPKYWDYDJPQCT-KRWDZBQOSA-N 1 0 357.458 2.412 50 0 FEAARO NC(=O)c1cncc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000301726955 553674487 /nfs/dbraw/zinc/67/44/87/553674487.db2.gz VNQMISFMNIGETH-WMZOPIPTSA-N 1 0 351.454 2.066 50 0 FEAARO Cc1ccc2cc(C(=O)NC3CCC(N4CC[NH2+]CC4)CC3)ccc2n1 ZINC000333319518 554602485 /nfs/dbraw/zinc/60/24/85/554602485.db2.gz UFFZZTICSIRUCT-UHFFFAOYSA-N 1 0 352.482 2.489 50 0 FEAARO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000515293555 562003636 /nfs/dbraw/zinc/00/36/36/562003636.db2.gz RFIOTAQGPOKZGM-SNVBAGLBSA-N 1 0 368.275 2.414 50 0 FEAARO COC[C@]1(O)CCOC2(CC[NH+](Cc3ccc(F)c(OC)c3)CC2)C1 ZINC000409420422 558690700 /nfs/dbraw/zinc/69/07/00/558690700.db2.gz SVSFZNQDXFMUNH-SFHVURJKSA-N 1 0 353.434 2.357 50 0 FEAARO O=C(NCCC[N@H+]1CCC[C@H](CO)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000426498635 559735823 /nfs/dbraw/zinc/73/58/23/559735823.db2.gz PVHXHYNOAQHSBY-KRWDZBQOSA-N 1 0 361.486 2.161 50 0 FEAARO Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCN(C3CCCC3)C(=O)C2)c1 ZINC000426500395 559736068 /nfs/dbraw/zinc/73/60/68/559736068.db2.gz ZAFUYXPRXLLYST-UHFFFAOYSA-N 1 0 364.449 2.388 50 0 FEAARO COc1ccccc1CCNC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000426537915 559737235 /nfs/dbraw/zinc/73/72/35/559737235.db2.gz ZTBRDWXNAGETSM-UHFFFAOYSA-N 1 0 363.527 2.461 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)cc1OCC[NH3+] ZINC000426536513 559737341 /nfs/dbraw/zinc/73/73/41/559737341.db2.gz QFYILQBTVLEEDG-MRXNPFEDSA-N 1 0 372.469 2.090 50 0 FEAARO Cc1nnc(CN(C)C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)o1 ZINC000426551109 559737624 /nfs/dbraw/zinc/73/76/24/559737624.db2.gz LNFNOMYICGXTGZ-KRWDZBQOSA-N 1 0 357.458 2.399 50 0 FEAARO C[NH+]1CCN(CCNC(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000426573336 559738079 /nfs/dbraw/zinc/73/80/79/559738079.db2.gz XHYYCPZDTRDSLU-KRWDZBQOSA-N 1 0 364.921 2.476 50 0 FEAARO O=C(NC[C@@]1(O)CC[NH2+]C1)c1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC000426571673 559738133 /nfs/dbraw/zinc/73/81/33/559738133.db2.gz UXIRZPRJZIGYFT-QGZVFWFLSA-N 1 0 365.355 2.222 50 0 FEAARO O=C(c1cccc(-c2ncccc2F)c1)N1CC[C@@]2(O)CC[NH2+]C[C@H]2C1 ZINC000426652896 559739528 /nfs/dbraw/zinc/73/95/28/559739528.db2.gz LNNLFWHFQUOHGN-JXFKEZNVSA-N 1 0 355.413 2.074 50 0 FEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NC1CCN(c2ccccc2)CC1 ZINC000426661363 559739699 /nfs/dbraw/zinc/73/96/99/559739699.db2.gz QWNPCRCHYNZISH-KRWDZBQOSA-N 1 0 367.497 2.135 50 0 FEAARO Cc1nnc(CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)o1 ZINC000426722674 559740985 /nfs/dbraw/zinc/74/09/85/559740985.db2.gz RKVPZXWIOSPWGU-UHFFFAOYSA-N 1 0 357.458 2.227 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CCCO)C3)C2=O)c1 ZINC000426739615 559741270 /nfs/dbraw/zinc/74/12/70/559741270.db2.gz DTINHCSXBTWBFK-LJQANCHMSA-N 1 0 350.434 2.031 50 0 FEAARO CO[C@@H](CS(=O)(=O)N1CCN(C)c2cc[nH+]cc21)c1ccc(F)cc1 ZINC000528342809 562323752 /nfs/dbraw/zinc/32/37/52/562323752.db2.gz RUPIEMLPVZVVBW-KRWDZBQOSA-N 1 0 365.430 2.194 50 0 FEAARO Cc1ccccc1[C@H](CNC(=O)N1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000534634290 562538765 /nfs/dbraw/zinc/53/87/65/562538765.db2.gz XMKNMHMPAFGDKK-IBGZPJMESA-N 1 0 372.513 2.300 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)N(C)CCn1ccc2ccccc21 ZINC000584902893 570511473 /nfs/dbraw/zinc/51/14/73/570511473.db2.gz GPMORDKCPGOCMS-HKUYNNGSSA-N 1 0 358.486 2.390 50 0 FEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)N1 ZINC000048356225 570949941 /nfs/dbraw/zinc/94/99/41/570949941.db2.gz SCDMVJNVOSDYMK-KRWDZBQOSA-N 1 0 373.376 2.251 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000112511359 570958948 /nfs/dbraw/zinc/95/89/48/570958948.db2.gz KYPKJZWNIHVABB-WDEREUQCSA-N 1 0 352.378 2.333 50 0 FEAARO Cc1c(-c2cc(C[NH+]3CCC(Nc4cccnn4)CC3)on2)cnn1C ZINC000184517102 571128104 /nfs/dbraw/zinc/12/81/04/571128104.db2.gz HSQANCSLVIOFAG-UHFFFAOYSA-N 1 0 353.430 2.250 50 0 FEAARO COc1ccc(CCNC(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000575415658 571149352 /nfs/dbraw/zinc/14/93/52/571149352.db2.gz MWCMGKPCUSPAHN-GOSISDBHSA-N 1 0 361.486 2.038 50 0 FEAARO COc1ccc(-c2ccc(C(=O)N3CCN(CC[NH+](C)C)CC3)cc2)cn1 ZINC000426368482 571215673 /nfs/dbraw/zinc/21/56/73/571215673.db2.gz ZUYLDQZXNBGFPY-UHFFFAOYSA-N 1 0 368.481 2.077 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000426382725 571217404 /nfs/dbraw/zinc/21/74/04/571217404.db2.gz NKHCYLBPQHMSOY-QGZVFWFLSA-N 1 0 368.485 2.358 50 0 FEAARO Cc1nccn1CCN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426387116 571218180 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CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000172106033 672339052 /nfs/dbraw/zinc/33/90/52/672339052.db2.gz CBZMIDDBSOHZNU-SFHVURJKSA-N 1 0 352.500 2.092 50 0 FEAARO C[C@@H](C(=O)NCC1CCCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172424692 672341901 /nfs/dbraw/zinc/34/19/01/672341901.db2.gz OUGGIRAMIJSPLY-KRWDZBQOSA-N 1 0 351.535 2.116 50 0 FEAARO COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)n2)c1 ZINC000188213196 672585673 /nfs/dbraw/zinc/58/56/73/672585673.db2.gz QAWVYENDZVCTLD-JOYOIKCWSA-N 1 0 351.403 2.466 50 0 FEAARO Cc1c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000003277470 539361833 /nfs/dbraw/zinc/36/18/33/539361833.db2.gz UFETUQMWVOQZLU-GASCZTMLSA-N 1 0 356.470 2.401 50 0 FEAARO C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000229821784 210179424 /nfs/dbraw/zinc/17/94/24/210179424.db2.gz CSIGBVXERKSSJS-NWDGAFQWSA-N 1 0 350.850 2.053 50 0 FEAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000025413260 210173077 /nfs/dbraw/zinc/17/30/77/210173077.db2.gz CBIYNIISAKDDAK-KZNAEPCWSA-N 1 0 359.514 2.265 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004373243 539383948 /nfs/dbraw/zinc/38/39/48/539383948.db2.gz QMGKANATMRUCEC-SJLPKXTDSA-N 1 0 358.486 2.192 50 0 FEAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCC(=O)NC(C)(C)C ZINC000005019160 539400396 /nfs/dbraw/zinc/40/03/96/539400396.db2.gz NECSVBQEVNMYNH-HNNXBMFYSA-N 1 0 350.459 2.257 50 0 FEAARO Cc1c(OCC(=O)NCCC[NH+](C)C)ccc2c3c(c(=O)oc12)CCCC3 ZINC000005269040 539407365 /nfs/dbraw/zinc/40/73/65/539407365.db2.gz MLXJJYNDMBMOGF-UHFFFAOYSA-N 1 0 372.465 2.427 50 0 FEAARO CC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006784892 539437308 /nfs/dbraw/zinc/43/73/08/539437308.db2.gz WBKGJHOCINBDKK-KGLIPLIRSA-N 1 0 353.488 2.186 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000008343751 539484258 /nfs/dbraw/zinc/48/42/58/539484258.db2.gz NDAIWXAKSLKACX-VQTJNVASSA-N 1 0 365.477 2.454 50 0 FEAARO COc1cc2nc(CSC3=[NH+][C@@H]4CCCC[C@H]4N3)[nH]c(=O)c2cc1OC ZINC000009478031 539502795 /nfs/dbraw/zinc/50/27/95/539502795.db2.gz YTIIQYMXVIFUEL-VXGBXAGGSA-N 1 0 374.466 2.444 50 0 FEAARO CC1(C)CC(NC(=O)c2cccc(CS(C)(=O)=O)c2)CC(C)(C)[NH2+]1 ZINC000010818303 539521250 /nfs/dbraw/zinc/52/12/50/539521250.db2.gz YWXZPUHULDMWKS-UHFFFAOYSA-N 1 0 352.500 2.270 50 0 FEAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)cc1OC ZINC000011693585 539533309 /nfs/dbraw/zinc/53/33/09/539533309.db2.gz HDZOPTJMCCKBTC-UHFFFAOYSA-N 1 0 356.488 2.103 50 0 FEAARO CCCS(=O)(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011820720 539536433 /nfs/dbraw/zinc/53/64/33/539536433.db2.gz XPVUHJHUMLMOOV-GOSISDBHSA-N 1 0 351.516 2.355 50 0 FEAARO COc1cccc(C[NH+]2CCC(n3cc(C(=O)NC(C)C)nn3)CC2)c1 ZINC000011870291 539537149 /nfs/dbraw/zinc/53/71/49/539537149.db2.gz JSWCSLBJHPZLCV-UHFFFAOYSA-N 1 0 357.458 2.262 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(Br)s1 ZINC000133196541 210071451 /nfs/dbraw/zinc/07/14/51/210071451.db2.gz SGUJWWBCXFXLBL-VIFPVBQESA-N 1 0 353.307 2.192 50 0 FEAARO Cc1c(C(=O)N2CC[NH2+]C[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000124898887 210061914 /nfs/dbraw/zinc/06/19/14/210061914.db2.gz MDNUQGZTFSJNMI-LLVKDONJSA-N 1 0 363.259 2.377 50 0 FEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000124748952 210061015 /nfs/dbraw/zinc/06/10/15/210061015.db2.gz JOPQWHIRWHNKLT-OAHLLOKOSA-N 1 0 358.463 2.094 50 0 FEAARO O=C(CCc1cn[nH]c1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012449441 539561177 /nfs/dbraw/zinc/56/11/77/539561177.db2.gz UVTUHASCTXTQEN-FQEVSTJZSA-N 1 0 367.497 2.498 50 0 FEAARO CC[NH+]1CCN(CC(=O)N[C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)CC1 ZINC000299799593 210040155 /nfs/dbraw/zinc/04/01/55/210040155.db2.gz SQOHRUVJACCISB-IBGZPJMESA-N 1 0 357.502 2.322 50 0 FEAARO O=C(CN1Cc2ccccc2C1)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299795537 210035080 /nfs/dbraw/zinc/03/50/80/210035080.db2.gz MHTJWXKOCYWYIB-FQEVSTJZSA-N 1 0 365.477 2.489 50 0 FEAARO O=C(c1cnc2c(F)cccc2c1O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299792312 210032584 /nfs/dbraw/zinc/03/25/84/210032584.db2.gz FIOVVGSXPWLOTA-AWEZNQCLSA-N 1 0 373.428 2.406 50 0 FEAARO COc1cc(-c2cccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)c2)nc(OC)n1 ZINC000299789660 210030544 /nfs/dbraw/zinc/03/05/44/210030544.db2.gz ZPLJHFJAQZAXDB-INIZCTEOSA-N 1 0 370.453 2.375 50 0 FEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000299787665 210029669 /nfs/dbraw/zinc/02/96/69/210029669.db2.gz YPUXGZHKHRUHAO-INIZCTEOSA-N 1 0 357.458 2.352 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-c3nc(C)cnc3C)c2)C1 ZINC000299781269 210025668 /nfs/dbraw/zinc/02/56/68/210025668.db2.gz LPYDQNBYGKLRMV-KRWDZBQOSA-N 1 0 368.481 2.459 50 0 FEAARO C[N@@H+]1CCN2CCN(C(=O)c3ccc(COc4ccccc4)cc3)C[C@@H]2C1 ZINC000299779358 210023327 /nfs/dbraw/zinc/02/33/27/210023327.db2.gz VDWASWHYPLOQKG-FQEVSTJZSA-N 1 0 365.477 2.337 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)c1 ZINC000299779792 210022889 /nfs/dbraw/zinc/02/28/89/210022889.db2.gz LBBUDCBGYOBEEE-UHFFFAOYSA-N 1 0 373.501 2.279 50 0 FEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000299770798 210017877 /nfs/dbraw/zinc/01/78/77/210017877.db2.gz RNBZQWFLPGLKKW-GOSISDBHSA-N 1 0 357.458 2.447 50 0 FEAARO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCCCCCC2)C1=O ZINC000012679168 539569856 /nfs/dbraw/zinc/56/98/56/539569856.db2.gz AMBNTKSUBAWEGU-HXUWFJFHSA-N 1 0 372.469 2.141 50 0 FEAARO Cn1cc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000012744680 539571982 /nfs/dbraw/zinc/57/19/82/539571982.db2.gz HQHZDFLRXMDRDA-UHFFFAOYSA-N 1 0 364.453 2.457 50 0 FEAARO C[C@@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 ZINC000012761820 539572916 /nfs/dbraw/zinc/57/29/16/539572916.db2.gz IYLIAPDVVAWFHG-SJKOYZFVSA-N 1 0 373.840 2.270 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1 ZINC000299756242 210008492 /nfs/dbraw/zinc/00/84/92/210008492.db2.gz KKBXPKOXGAZPNU-ROUUACIJSA-N 1 0 358.486 2.336 50 0 FEAARO CCOc1ccc(C(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000299757962 210009281 /nfs/dbraw/zinc/00/92/81/210009281.db2.gz JBGMXBFUWLQXTM-UHFFFAOYSA-N 1 0 365.905 2.496 50 0 FEAARO COc1ncc(C[N@@H+]2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000014970144 539608284 /nfs/dbraw/zinc/60/82/84/539608284.db2.gz ARNUJDABKWNGAP-QGZVFWFLSA-N 1 0 354.458 2.014 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793635 539686980 /nfs/dbraw/zinc/68/69/80/539686980.db2.gz QRLAKVYHFPGBRD-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000024389808 539730620 /nfs/dbraw/zinc/73/06/20/539730620.db2.gz LTBBIWURPCIXIQ-UHFFFAOYSA-N 1 0 362.437 2.188 50 0 FEAARO COc1ccc(C)cc1C[N@H+](C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025231489 539751759 /nfs/dbraw/zinc/75/17/59/539751759.db2.gz CETPYVIIBOMENH-INIZCTEOSA-N 1 0 368.433 2.093 50 0 FEAARO CC(C)CN1C[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000029753130 539864055 /nfs/dbraw/zinc/86/40/55/539864055.db2.gz VXLCFFVQKSDGDN-GOSISDBHSA-N 1 0 357.498 2.272 50 0 FEAARO NS(=O)(=O)c1cccc(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000032913417 539958395 /nfs/dbraw/zinc/95/83/95/539958395.db2.gz MPDFLPOBKOOKMN-UHFFFAOYSA-N 1 0 351.472 2.070 50 0 FEAARO CCCNC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035876998 539984531 /nfs/dbraw/zinc/98/45/31/539984531.db2.gz TWPQSLJVCRVKOF-LADRWXRNSA-N 1 0 357.498 2.150 50 0 FEAARO CSc1ncc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cn1 ZINC000036385565 539989418 /nfs/dbraw/zinc/98/94/18/539989418.db2.gz OKJFSCCXTZTODW-QGZVFWFLSA-N 1 0 350.532 2.400 50 0 FEAARO [NH3+]CC1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000036296709 539988662 /nfs/dbraw/zinc/98/86/62/539988662.db2.gz LQZLQRUJGQKFED-UHFFFAOYSA-N 1 0 367.696 2.462 50 0 FEAARO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC)[NH+]2CCCC2)cc1 ZINC000040090058 540005645 /nfs/dbraw/zinc/00/56/45/540005645.db2.gz JXMWAEBMCGEFNF-OAHLLOKOSA-N 1 0 354.472 2.016 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000237212414 222906129 /nfs/dbraw/zinc/90/61/29/222906129.db2.gz DJGVXSHSIJJXMV-NSHDSACASA-N 1 0 352.378 2.205 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000002964681 219478570 /nfs/dbraw/zinc/47/85/70/219478570.db2.gz ZFZALCKLCWOWNW-ZDUSSCGKSA-N 1 0 367.852 2.434 50 0 FEAARO Cc1cc(NC(=O)CSc2nc(N)cc(N)[nH+]2)ccc1Br ZINC000003605733 219522081 /nfs/dbraw/zinc/52/20/81/219522081.db2.gz VCZHVLKJNNHYJI-UHFFFAOYSA-N 1 0 368.260 2.443 50 0 FEAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000044285512 540122640 /nfs/dbraw/zinc/12/26/40/540122640.db2.gz JFJFJHYVMYAVSC-IAGOWNOFSA-N 1 0 365.543 2.463 50 0 FEAARO NC(=O)CNC(=O)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000047799187 540329285 /nfs/dbraw/zinc/32/92/85/540329285.db2.gz NGMRCQKZNGUUKR-UHFFFAOYSA-N 1 0 365.355 2.210 50 0 FEAARO Cn1c2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2n(C)c1=O ZINC000050077851 540397945 /nfs/dbraw/zinc/39/79/45/540397945.db2.gz RJLZZUHUGYGOFP-OAHLLOKOSA-N 1 0 373.482 2.363 50 0 FEAARO CCOC1CCN(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000050128770 540401050 /nfs/dbraw/zinc/40/10/50/540401050.db2.gz QGEOBPQUJYRVGR-UHFFFAOYSA-N 1 0 374.529 2.015 50 0 FEAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)CCOc2ccc(C)cc2Cl)C1 ZINC000055200341 540634959 /nfs/dbraw/zinc/63/49/59/540634959.db2.gz BDAUJNZEJATCEI-HNNXBMFYSA-N 1 0 354.878 2.454 50 0 FEAARO Cc1cc(=O)[nH]c(NCCNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)n1 ZINC000055072260 540626379 /nfs/dbraw/zinc/62/63/79/540626379.db2.gz OWIUFZSJUKVYIE-CQSZACIVSA-N 1 0 373.457 2.060 50 0 FEAARO Cc1nccn1-c1ccc(CNC(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000057127532 540770958 /nfs/dbraw/zinc/77/09/58/540770958.db2.gz BMVARYDEUYPGAR-HZPDHXFCSA-N 1 0 370.501 2.353 50 0 FEAARO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000058202432 540833165 /nfs/dbraw/zinc/83/31/65/540833165.db2.gz QSLRUUUOHWSDQL-PBHICJAKSA-N 1 0 361.511 2.336 50 0 FEAARO COc1cccc(C[NH+]2CCC(NC(=O)c3cnn4cccnc34)CC2)c1 ZINC000058214419 540834109 /nfs/dbraw/zinc/83/41/09/540834109.db2.gz VDXHLBIBOUVXGN-UHFFFAOYSA-N 1 0 365.437 2.132 50 0 FEAARO Cc1ccnn1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072130759 541785360 /nfs/dbraw/zinc/78/53/60/541785360.db2.gz GGPOLRCVRUWYPW-CEWLAPEOSA-N 1 0 368.456 2.419 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)c3nonc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072124182 541784522 /nfs/dbraw/zinc/78/45/22/541784522.db2.gz AOGWGBAVKJHQMZ-QXAKKESOSA-N 1 0 368.437 2.089 50 0 FEAARO CC(C)c1ccc2cc(C(=O)N3CCO[C@]4(C3)C[NH2+]CCOC4)[nH]c2c1 ZINC000072126666 541784536 /nfs/dbraw/zinc/78/45/36/541784536.db2.gz IFTJXOGXLOMAOJ-FQEVSTJZSA-N 1 0 357.454 2.122 50 0 FEAARO C[NH+]1CCC(N(CC(=O)NCc2ccccc2F)Cc2cccnc2)CC1 ZINC000072129745 541785090 /nfs/dbraw/zinc/78/50/90/541785090.db2.gz LKTSYULULXXCNK-UHFFFAOYSA-N 1 0 370.472 2.433 50 0 FEAARO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)ccn1 ZINC000072143980 541787493 /nfs/dbraw/zinc/78/74/93/541787493.db2.gz UQPGACIXMBZZRQ-LJQANCHMSA-N 1 0 351.450 2.406 50 0 FEAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000072153790 541790360 /nfs/dbraw/zinc/79/03/60/541790360.db2.gz NMHYICGZOWHUMA-MRXNPFEDSA-N 1 0 359.857 2.465 50 0 FEAARO COc1cccc(-c2ncc(C[N@H+]3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)s2)c1 ZINC000072154199 541790409 /nfs/dbraw/zinc/79/04/09/541790409.db2.gz ONNVZIUQOVFPGR-PURYLZLUSA-N 1 0 360.479 2.382 50 0 FEAARO O=c1[nH]c(CC2CC2)nc2c1CCN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000072151072 541790062 /nfs/dbraw/zinc/79/00/62/541790062.db2.gz KFAFOQKEVIBIHZ-QFBILLFUSA-N 1 0 356.514 2.345 50 0 FEAARO CC(C)Cc1nc(CN(C)c2nc(-c3ccncc3)nc3c2C[NH2+]C3)no1 ZINC000072152718 541790825 /nfs/dbraw/zinc/79/08/25/541790825.db2.gz ZGIVIVMIQOBQBN-UHFFFAOYSA-N 1 0 365.441 2.360 50 0 FEAARO COc1cc(Cl)cc2cc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)oc21 ZINC000072159233 541791672 /nfs/dbraw/zinc/79/16/72/541791672.db2.gz CVUDJDSODGHCTN-QGZVFWFLSA-N 1 0 352.818 2.233 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000072166780 541793954 /nfs/dbraw/zinc/79/39/54/541793954.db2.gz CXMBCHWYZDGZQA-AWEZNQCLSA-N 1 0 363.408 2.495 50 0 FEAARO CC(C)(O)CCc1ccc(C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)cc1 ZINC000072407308 541805737 /nfs/dbraw/zinc/80/57/37/541805737.db2.gz WQSIBXNIGCLNBP-UHFFFAOYSA-N 1 0 358.482 2.409 50 0 FEAARO COCCc1ncc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)cn1 ZINC000072433710 541813359 /nfs/dbraw/zinc/81/33/59/541813359.db2.gz BYLRRPFCRDHTMG-HXUWFJFHSA-N 1 0 355.482 2.481 50 0 FEAARO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3ccccc3)C2)cn1 ZINC000072434524 541813617 /nfs/dbraw/zinc/81/36/17/541813617.db2.gz XZHXAPOVPXGTOZ-VQTJNVASSA-N 1 0 352.482 2.476 50 0 FEAARO O=C1OC2(CN1CCOc1ccccc1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000072458014 541816906 /nfs/dbraw/zinc/81/69/06/541816906.db2.gz OVVQRBAMTCDDFG-KRWDZBQOSA-N 1 0 359.470 2.104 50 0 FEAARO C[C@@H](Cn1cccn1)Nc1nc(-c2ccco2)nc2c1CC[N@H+](C)CC2 ZINC000072458234 541817055 /nfs/dbraw/zinc/81/70/55/541817055.db2.gz LBIHPBAXAFHJSL-AWEZNQCLSA-N 1 0 352.442 2.464 50 0 FEAARO COc1ccc(OC2CCN(C(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)cc1 ZINC000072454682 541817091 /nfs/dbraw/zinc/81/70/91/541817091.db2.gz UBXSEGRFPOGJKV-FQEVSTJZSA-N 1 0 370.449 2.341 50 0 FEAARO NC(=O)COc1cccc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)c1 ZINC000072468206 541817440 /nfs/dbraw/zinc/81/74/40/541817440.db2.gz YCKLSHFSMWUASL-NRFANRHFSA-N 1 0 368.477 2.366 50 0 FEAARO Cc1cccc(CNc2ncnc3c2CC[N@@H+](C2CCOCC2)CC3)n1 ZINC000072463093 541817620 /nfs/dbraw/zinc/81/76/20/541817620.db2.gz FRYWNFWKEQJWPR-UHFFFAOYSA-N 1 0 353.470 2.372 50 0 FEAARO O=C(CCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2)NC1CCCCC1 ZINC000072474025 541818610 /nfs/dbraw/zinc/81/86/10/541818610.db2.gz QTBMGIQKJDXRMQ-UHFFFAOYSA-N 1 0 356.474 2.079 50 0 FEAARO CCc1noc(-c2ccc(-n3ccnc3-c3cc4n(n3)CC[NH2+]C4)cc2)n1 ZINC000072469620 541818921 /nfs/dbraw/zinc/81/89/21/541818921.db2.gz KBVHKEVUQCRVSC-UHFFFAOYSA-N 1 0 361.409 2.451 50 0 FEAARO CCC(=O)NCc1cccc(C[C@@H]2CC[C@H](C[NH+]3CCN(C)CC3)O2)c1 ZINC000072448428 541815733 /nfs/dbraw/zinc/81/57/33/541815733.db2.gz GCRKSOBJTNJGES-VQTJNVASSA-N 1 0 359.514 2.050 50 0 FEAARO Cc1cc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4CC[NH3+])C3)ccc2o1 ZINC000072477374 541820592 /nfs/dbraw/zinc/82/05/92/541820592.db2.gz KVNBJGOVEQYZOB-DOTOQJQBSA-N 1 0 355.438 2.153 50 0 FEAARO OC[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000012711236 220020056 /nfs/dbraw/zinc/02/00/56/220020056.db2.gz DWRALPSZPOCEAA-CQSZACIVSA-N 1 0 362.499 2.467 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c2cccs2)o1 ZINC000058342670 212005092 /nfs/dbraw/zinc/00/50/92/212005092.db2.gz FIAOURILZJRPIT-CQSZACIVSA-N 1 0 363.483 2.358 50 0 FEAARO C[NH+](C)C1(CNC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CCCC1 ZINC000058268919 212001668 /nfs/dbraw/zinc/00/16/68/212001668.db2.gz NWCJTYSZZQEOLQ-UHFFFAOYSA-N 1 0 374.485 2.155 50 0 FEAARO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000058162394 211987394 /nfs/dbraw/zinc/98/73/94/211987394.db2.gz VYWYDQAHTSWRJA-NSHDSACASA-N 1 0 367.858 2.104 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046786371 211842578 /nfs/dbraw/zinc/84/25/78/211842578.db2.gz BMPGVWPCSKAUKH-OAHLLOKOSA-N 1 0 357.458 2.445 50 0 FEAARO CCCC(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000075092041 542151486 /nfs/dbraw/zinc/15/14/86/542151486.db2.gz FHHBVEPYFITXKU-QGZVFWFLSA-N 1 0 367.534 2.031 50 0 FEAARO CC[C@H](c1n[nH]c2c1CN(C(=O)C[C@@H]1C[NH2+]CCO1)CC2)c1ccccc1 ZINC000023619416 211390959 /nfs/dbraw/zinc/39/09/59/211390959.db2.gz ZJRLKLWPWNPSPE-SJORKVTESA-N 1 0 368.481 2.215 50 0 FEAARO COc1cccc(NC(=O)N2CCC(Cn3cc(C(C)(C)[NH3+])nn3)CC2)c1 ZINC000023379660 211385840 /nfs/dbraw/zinc/38/58/40/211385840.db2.gz HMPGUTAMLZDUQF-UHFFFAOYSA-N 1 0 372.473 2.425 50 0 FEAARO CCOC(=O)c1noc2ncnc(N(CC[NH+](C)C)Cc3ccccc3)c21 ZINC000021539006 211317265 /nfs/dbraw/zinc/31/72/65/211317265.db2.gz QEWQEBWKTSFTAX-UHFFFAOYSA-N 1 0 369.425 2.363 50 0 FEAARO CC(C)(CN1CCOCC1)C[N@@H+]1CCO[C@H](Cc2cccc(F)c2)C1 ZINC000020914651 211298556 /nfs/dbraw/zinc/29/85/56/211298556.db2.gz KUJNLLGBWMQTDG-LJQANCHMSA-N 1 0 350.478 2.427 50 0 FEAARO C[N@@H+]1CCCN(c2cnn(Cc3ccc(F)cc3Cl)c(=O)c2)CC1 ZINC000020668136 211291827 /nfs/dbraw/zinc/29/18/27/211291827.db2.gz OIUYFVITORNFBP-UHFFFAOYSA-N 1 0 350.825 2.226 50 0 FEAARO CN(C)S(=O)(=O)N1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015063246 211116205 /nfs/dbraw/zinc/11/62/05/211116205.db2.gz WSYTUZZOARDAAF-LJQANCHMSA-N 1 0 365.543 2.069 50 0 FEAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1CCCN1CCOCC1 ZINC000014988430 211110083 /nfs/dbraw/zinc/11/00/83/211110083.db2.gz XYJDBFDLJIBWFX-IBGZPJMESA-N 1 0 363.477 2.019 50 0 FEAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OCC(N)=O)cc2)cc1 ZINC000014199620 211085855 /nfs/dbraw/zinc/08/58/55/211085855.db2.gz JZQAHJJXYMWGMC-UHFFFAOYSA-N 1 0 369.465 2.323 50 0 FEAARO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000006543720 210678119 /nfs/dbraw/zinc/67/81/19/210678119.db2.gz JLPBOZPGSAEWNL-UYAOXDASSA-N 1 0 355.434 2.426 50 0 FEAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Cn2cccnc2=O)cc1 ZINC000077287787 542362446 /nfs/dbraw/zinc/36/24/46/542362446.db2.gz MHRVXHLEYHAVMW-GOSISDBHSA-N 1 0 354.454 2.059 50 0 FEAARO C[N@@H+]1CCCN(CC(=O)N2CCC[C@H](COc3cccc(F)c3)C2)CC1 ZINC000077301069 542363139 /nfs/dbraw/zinc/36/31/39/542363139.db2.gz XTMRKKPDIGUQOC-KRWDZBQOSA-N 1 0 363.477 2.081 50 0 FEAARO COc1cc(F)c(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1OC ZINC000077322259 542366543 /nfs/dbraw/zinc/36/65/43/542366543.db2.gz BZOUGKQUSYANEF-LJQANCHMSA-N 1 0 352.450 2.266 50 0 FEAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH2+]C ZINC000002266380 210388905 /nfs/dbraw/zinc/38/89/05/210388905.db2.gz HTAMIFSQQGZXCY-UHFFFAOYSA-N 1 0 354.204 2.265 50 0 FEAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCSCC1 ZINC000002286923 210388745 /nfs/dbraw/zinc/38/87/45/210388745.db2.gz SZNOCEHDSQVQDI-UHFFFAOYSA-N 1 0 365.430 2.471 50 0 FEAARO C[C@@H]1CCCc2sc3ncn4nc(C(=O)NCCC[NH+](C)C)nc4c3c21 ZINC000002239850 210386562 /nfs/dbraw/zinc/38/65/62/210386562.db2.gz NLKAPLMAMMWZMX-LLVKDONJSA-N 1 0 372.498 2.460 50 0 FEAARO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000077388761 542376384 /nfs/dbraw/zinc/37/63/84/542376384.db2.gz SKRDITGIYIVAOV-SFHVURJKSA-N 1 0 374.481 2.181 50 0 FEAARO Cc1ccc(OC2CCN(C(=O)CC[N@@H+](C)[C@@H]3CCN(C)C3)CC2)cc1 ZINC000077374916 542373780 /nfs/dbraw/zinc/37/37/80/542373780.db2.gz ZAWDCELARWWJDC-GOSISDBHSA-N 1 0 359.514 2.391 50 0 FEAARO Cc1nn(C(C)C)c(C)c1CNC(=O)c1cn(CC[C@H]2CCCC[NH2+]2)nn1 ZINC000077454771 542383989 /nfs/dbraw/zinc/38/39/89/542383989.db2.gz RHDMZAUYKPYDPT-MRXNPFEDSA-N 1 0 373.505 2.135 50 0 FEAARO Cc1nc(CN2CC[NH+]([C@@H]3CCOC4(CCOCC4)C3)CC2)cs1 ZINC000077470376 542385663 /nfs/dbraw/zinc/38/56/63/542385663.db2.gz VRMDHLLSJDEENY-QGZVFWFLSA-N 1 0 351.516 2.297 50 0 FEAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)[nH]c1=O ZINC000077486008 542387360 /nfs/dbraw/zinc/38/73/60/542387360.db2.gz CKHLXASVWXUJPF-LBPRGKRZSA-N 1 0 368.462 2.463 50 0 FEAARO COc1cccc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)c1 ZINC000065288762 221196295 /nfs/dbraw/zinc/19/62/95/221196295.db2.gz FSVREMZFGGZSMG-LJQANCHMSA-N 1 0 359.514 2.256 50 0 FEAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000065329525 221199856 /nfs/dbraw/zinc/19/98/56/221199856.db2.gz NHGPNUDFEQFNRO-STQMWFEESA-N 1 0 360.458 2.218 50 0 FEAARO CCc1nc(CN(C)C(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)no1 ZINC000065369895 221203655 /nfs/dbraw/zinc/20/36/55/221203655.db2.gz YYHHKYOBKSMSOX-UHFFFAOYSA-N 1 0 358.442 2.100 50 0 FEAARO COc1cccc2c1OCC(CN1CCN([C@@H]3C[NH+]4CCC3CC4)CC1)=C2 ZINC000065381443 221207205 /nfs/dbraw/zinc/20/72/05/221207205.db2.gz MYVRXHRGZJKCTA-HXUWFJFHSA-N 1 0 369.509 2.183 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3nc4ccccc4nc3C)CC2)n[nH]c1=O ZINC000065384515 221209185 /nfs/dbraw/zinc/20/91/85/221209185.db2.gz ZZJRKINGGXZWPL-UHFFFAOYSA-N 1 0 366.469 2.298 50 0 FEAARO C[C@H](CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2)n1ccnc1 ZINC000065408688 221216354 /nfs/dbraw/zinc/21/63/54/221216354.db2.gz DVCDMAKGKWPFFN-OAHLLOKOSA-N 1 0 363.469 2.487 50 0 FEAARO CN1CC[N@H+](C)CC12CCN(C(=O)c1c(O)ccc3ccccc31)CC2 ZINC000067433933 221254079 /nfs/dbraw/zinc/25/40/79/221254079.db2.gz NOWOQACCPBPTNW-UHFFFAOYSA-N 1 0 353.466 2.397 50 0 FEAARO COc1cccc(OCc2nc(C(=O)N(C)C[C@@H]3CC[N@H+](C)C3)co2)c1 ZINC000067472982 221255336 /nfs/dbraw/zinc/25/53/36/221255336.db2.gz DELFMSSQKQDFNJ-CQSZACIVSA-N 1 0 359.426 2.286 50 0 FEAARO O=c1[nH]c2cc(F)ccc2cc1CN1CC[NH+](CCc2ccncc2)CC1 ZINC000067727324 221277969 /nfs/dbraw/zinc/27/79/69/221277969.db2.gz BOLHCKDQHWNCDB-UHFFFAOYSA-N 1 0 366.440 2.423 50 0 FEAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCC(CCO)CC1 ZINC000067805733 221289016 /nfs/dbraw/zinc/28/90/16/221289016.db2.gz HVCFUUFSIZTTAE-JOCHJYFZSA-N 1 0 374.525 2.067 50 0 FEAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(-c2ccc(C)cc2)c1 ZINC000067758256 221281700 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FEAARO Cn1c(C(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)cc2ccccc21 ZINC000067954372 221307474 /nfs/dbraw/zinc/30/74/74/221307474.db2.gz QBMDQVWLWRAZNI-UHFFFAOYSA-N 1 0 354.498 2.420 50 0 FEAARO COc1ccc(CCNC(=O)c2cc(N3CCC[N@H+](C)CC3)ccn2)cc1 ZINC000071405842 221346847 /nfs/dbraw/zinc/34/68/47/221346847.db2.gz MCEWONGQYIWOLB-UHFFFAOYSA-N 1 0 368.481 2.205 50 0 FEAARO Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1CC[NH2+][C@H](C(=O)[O-])C1 ZINC000071497908 221349811 /nfs/dbraw/zinc/34/98/11/221349811.db2.gz DIXKBXXHNZPMME-FQEVSTJZSA-N 1 0 359.514 2.394 50 0 FEAARO CCN(C)C(=O)C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071614404 221352311 /nfs/dbraw/zinc/35/23/11/221352311.db2.gz YXSSZDCVCWZNAE-SFHVURJKSA-N 1 0 363.477 2.363 50 0 FEAARO CC(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071746633 221358031 /nfs/dbraw/zinc/35/80/31/221358031.db2.gz PZUDJYDAZBODLH-KRWDZBQOSA-N 1 0 372.513 2.057 50 0 FEAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071751652 221362128 /nfs/dbraw/zinc/36/21/28/221362128.db2.gz FVBVSGVJECSHGO-GOSISDBHSA-N 1 0 359.518 2.187 50 0 FEAARO CCc1[nH]c2ccc(CNC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2c1C ZINC000071758765 221367100 /nfs/dbraw/zinc/36/71/00/221367100.db2.gz OOFOBHHJIRSXAK-MRXNPFEDSA-N 1 0 370.497 2.065 50 0 FEAARO Cc1c(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cnn1C ZINC000071759875 221367216 /nfs/dbraw/zinc/36/72/16/221367216.db2.gz YEELDAIZOBRHHG-SFHVURJKSA-N 1 0 373.545 2.027 50 0 FEAARO CC[C@@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 ZINC000071639168 221354273 /nfs/dbraw/zinc/35/42/73/221354273.db2.gz IBXDDBQBNKPBAP-INIZCTEOSA-N 1 0 368.485 2.195 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072407500 221498607 /nfs/dbraw/zinc/49/86/07/221498607.db2.gz BVVHTTOBHAKBJP-OAQYLSRUSA-N 1 0 372.513 2.155 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(c1nccc(N(C)C)n1)CC2 ZINC000091586577 132202514 /nfs/dbraw/zinc/20/25/14/132202514.db2.gz FVTNVCIHBIAGMG-UHFFFAOYSA-N 1 0 369.517 2.276 50 0 FEAARO CCc1cc(N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)nc(C)n1 ZINC000091724749 132203456 /nfs/dbraw/zinc/20/34/56/132203456.db2.gz VKXXIKCVWVCLHZ-GOSISDBHSA-N 1 0 371.529 2.261 50 0 FEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc(C)cc(C)n1)C2 ZINC000095379151 132209549 /nfs/dbraw/zinc/20/95/49/132209549.db2.gz WGEOFFYUGJXNDT-SBHAEUEKSA-N 1 0 374.529 2.437 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 ZINC000096152434 132220850 /nfs/dbraw/zinc/22/08/50/132220850.db2.gz JMMHPCBGIPEWSK-ZDUSSCGKSA-N 1 0 369.425 2.367 50 0 FEAARO Cc1cc(C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)ccc1-n1cncn1 ZINC000097106933 132227676 /nfs/dbraw/zinc/22/76/76/132227676.db2.gz JEFDTTTWGKIYAU-SFHVURJKSA-N 1 0 362.437 2.256 50 0 FEAARO Cc1nc(C2CCN(C(=O)c3ccc(N4CC[NH+](C)CC4)cc3)CC2)no1 ZINC000216019189 132270514 /nfs/dbraw/zinc/27/05/14/132270514.db2.gz GAWSQFNZZFOGEP-UHFFFAOYSA-N 1 0 369.469 2.150 50 0 FEAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC(c3n[nH]cc3C)CC2)n1 ZINC000219190743 132273819 /nfs/dbraw/zinc/27/38/19/132273819.db2.gz MKSBHSIXNQAPJO-SHTZXODSSA-N 1 0 356.474 2.243 50 0 FEAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cccc(N2CCOCC2)c1 ZINC000222811158 132277902 /nfs/dbraw/zinc/27/79/02/132277902.db2.gz CSWPSAUDJWHPRQ-OAQYLSRUSA-N 1 0 365.477 2.310 50 0 FEAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(c3n[nH]cc3C)CC2)n1 ZINC000223093709 132278857 /nfs/dbraw/zinc/27/88/57/132278857.db2.gz MKSBHSIXNQAPJO-GASCZTMLSA-N 1 0 356.474 2.243 50 0 FEAARO Cc1nc(CC2CC[NH+](CCN3CCN(c4ccccc4)CC3)CC2)no1 ZINC000244646862 132289984 /nfs/dbraw/zinc/28/99/84/132289984.db2.gz GQLDRTANQQTZOS-UHFFFAOYSA-N 1 0 369.513 2.455 50 0 FEAARO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccsc3C(=O)[O-])CC2)cc[nH+]1 ZINC000252494422 132292447 /nfs/dbraw/zinc/29/24/47/132292447.db2.gz NUWXIQLYJKKQSM-UHFFFAOYSA-N 1 0 374.466 2.301 50 0 FEAARO Nc1nc([C@H]2C[C@@H]([NH2+]C3CCN(c4cccc(F)c4)CC3)C2)cc(=O)[nH]1 ZINC000253535797 132293806 /nfs/dbraw/zinc/29/38/06/132293806.db2.gz QRPMUFDSDYPBJL-JNSHFYNHSA-N 1 0 357.433 2.408 50 0 FEAARO CC[C@H]1CN(C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC[N@@H+]1C[C@@H](C)O ZINC000089949212 542775908 /nfs/dbraw/zinc/77/59/08/542775908.db2.gz WPLPWEWYSRKVMJ-DOMZBBRYSA-N 1 0 366.437 2.093 50 0 FEAARO O=C(c1cncc(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091381422 542806468 /nfs/dbraw/zinc/80/64/68/542806468.db2.gz WQIWBKWCGVIRJY-HZPDHXFCSA-N 1 0 351.878 2.292 50 0 FEAARO C[C@H]([NH3+])CNC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[nH]c1=O ZINC000091391425 542806529 /nfs/dbraw/zinc/80/65/29/542806529.db2.gz JRSWYLARFYXNHP-LBPRGKRZSA-N 1 0 358.442 2.136 50 0 FEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(Cc1nc(-c3ccccc3)no1)CC2 ZINC000091461059 542808971 /nfs/dbraw/zinc/80/89/71/542808971.db2.gz RVKOITOXPGIDMR-UHFFFAOYSA-N 1 0 364.453 2.439 50 0 FEAARO CSc1ncccc1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000091305573 542803631 /nfs/dbraw/zinc/80/36/31/542803631.db2.gz MJHPWGHJXZBECA-UHFFFAOYSA-N 1 0 357.483 2.146 50 0 FEAARO COc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CO)[nH]n2)cc1 ZINC000091594625 542814945 /nfs/dbraw/zinc/81/49/45/542814945.db2.gz OIVGIHMDPJXPAK-MRXNPFEDSA-N 1 0 372.469 2.052 50 0 FEAARO c1cn(C[C@H]2OCCc3ccccc32)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091625126 542816472 /nfs/dbraw/zinc/81/64/72/542816472.db2.gz UEQFMBVTNZCYMZ-LJQANCHMSA-N 1 0 364.453 2.380 50 0 FEAARO O=C(c1ccccc1)N1CCC[C@H](N2CC3(CC[NH2+]CC3)CCC2=O)C1 ZINC000091643576 542817261 /nfs/dbraw/zinc/81/72/61/542817261.db2.gz ICHHDUDZQFRGHK-SFHVURJKSA-N 1 0 355.482 2.283 50 0 FEAARO CC(C)c1ccc(C(=O)N2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)cc1 ZINC000091636268 542817275 /nfs/dbraw/zinc/81/72/75/542817275.db2.gz XOPHEJSYTAAAPA-NHCUHLMSSA-N 1 0 373.541 2.128 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c1 ZINC000091769025 542824695 /nfs/dbraw/zinc/82/46/95/542824695.db2.gz RPSZMEKSTDMLHV-KRWDZBQOSA-N 1 0 366.469 2.448 50 0 FEAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n(C)n1 ZINC000091677979 542819941 /nfs/dbraw/zinc/81/99/41/542819941.db2.gz XZPPQZZNTRLNGP-QFBILLFUSA-N 1 0 364.493 2.432 50 0 FEAARO C[C@@H](CC[NH+]1CCC2(CCC(=O)N(CC(N)=O)C2)CC1)c1ccccc1 ZINC000091694172 542820411 /nfs/dbraw/zinc/82/04/11/542820411.db2.gz UENOTXMNQWVHSN-KRWDZBQOSA-N 1 0 357.498 2.370 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccn(C(F)F)n1)CC2 ZINC000091726037 542822169 /nfs/dbraw/zinc/82/21/69/542822169.db2.gz QTBAJEUSGFJIDN-UHFFFAOYSA-N 1 0 364.400 2.011 50 0 FEAARO O=C(c1ncc(F)cc1F)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091859523 542829239 /nfs/dbraw/zinc/82/92/39/542829239.db2.gz APMJUVVAWFJAQY-SWLSCSKDSA-N 1 0 351.397 2.075 50 0 FEAARO Cc1ccc([C@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)N(C)C)cc1 ZINC000092065828 542842683 /nfs/dbraw/zinc/84/26/83/542842683.db2.gz FAZSZXTZMKZDLV-HXUWFJFHSA-N 1 0 372.557 2.274 50 0 FEAARO CSCc1noc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccn3)C2)n1 ZINC000091987145 542836101 /nfs/dbraw/zinc/83/61/01/542836101.db2.gz XXYSEMROEVRXBE-GOEBONIOSA-N 1 0 359.499 2.424 50 0 FEAARO OCCNc1nc(N2CC[NH+](C3CCCCC3)CC2)nc2ccccc21 ZINC000041150076 136120878 /nfs/dbraw/zinc/12/08/78/136120878.db2.gz BFPRRMOJHVDIRM-UHFFFAOYSA-N 1 0 355.486 2.489 50 0 FEAARO CN(C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)[C@@H]1CC[NH2+]C1 ZINC000299738611 136121884 /nfs/dbraw/zinc/12/18/84/136121884.db2.gz CUXNJGCRJVOSCU-CHWSQXEVSA-N 1 0 356.392 2.137 50 0 FEAARO CC[N@H+](C)C1(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CCCCC1 ZINC000095368260 542961552 /nfs/dbraw/zinc/96/15/52/542961552.db2.gz UYXPPBOGGDSDIA-SFHVURJKSA-N 1 0 372.513 2.201 50 0 FEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071754488 136140390 /nfs/dbraw/zinc/14/03/90/136140390.db2.gz AGWRVDQRYOWNNZ-SFHVURJKSA-N 1 0 371.529 2.397 50 0 FEAARO O=C(c1ncccc1O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072124005 136142221 /nfs/dbraw/zinc/14/22/21/136142221.db2.gz UZPMIXGIXDAFAY-SFHVURJKSA-N 1 0 366.465 2.214 50 0 FEAARO Cc1nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)cc(N(C)C)[nH+]1 ZINC000072437120 136147518 /nfs/dbraw/zinc/14/75/18/136147518.db2.gz KHXQGZKNEVUZSF-UHFFFAOYSA-N 1 0 361.396 2.092 50 0 FEAARO COc1ccc([C@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@@H]32)c(OC)c1OC ZINC000095117694 542957750 /nfs/dbraw/zinc/95/77/50/542957750.db2.gz FGSKGRHSNQNBAW-HUUCEWRRSA-N 1 0 352.394 2.499 50 0 FEAARO CCc1nn2c(nc(C[N@@H+]3CCc4ccc(OC)cc4CC3)cc2=O)s1 ZINC000095360926 542959869 /nfs/dbraw/zinc/95/98/69/542959869.db2.gz WXHJQNOOVCVOBM-UHFFFAOYSA-N 1 0 370.478 2.323 50 0 FEAARO O=C(NC[C@@H](O)COC1CCCCC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095366781 542961136 /nfs/dbraw/zinc/96/11/36/542961136.db2.gz NBXYNSPMQJLKRF-QGZVFWFLSA-N 1 0 364.486 2.318 50 0 FEAARO O=C(NC[C@@H](O)COc1ccccc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095385418 542966304 /nfs/dbraw/zinc/96/63/04/542966304.db2.gz JXLWIQDXMFAKPR-QGZVFWFLSA-N 1 0 358.438 2.048 50 0 FEAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 ZINC000095390885 542968087 /nfs/dbraw/zinc/96/80/87/542968087.db2.gz KXSLJWOYBHZCFZ-LJQANCHMSA-N 1 0 369.509 2.337 50 0 FEAARO COc1coc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)cc1=O ZINC000095389239 542967032 /nfs/dbraw/zinc/96/70/32/542967032.db2.gz KPAQHEPHJHWSDH-JKSUJKDBSA-N 1 0 373.453 2.350 50 0 FEAARO Nc1nnc(CCCNC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000095500177 542974325 /nfs/dbraw/zinc/97/43/25/542974325.db2.gz GLTOULRVTDEDMI-HNNXBMFYSA-N 1 0 359.499 2.049 50 0 FEAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000095504254 542975467 /nfs/dbraw/zinc/97/54/67/542975467.db2.gz QUKCZYFEDYYPCL-UHFFFAOYSA-N 1 0 370.501 2.473 50 0 FEAARO C[C@@H](Cn1cncn1)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095506320 542975821 /nfs/dbraw/zinc/97/58/21/542975821.db2.gz NLTRYSIKCXZDRX-AWEZNQCLSA-N 1 0 369.498 2.444 50 0 FEAARO CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000095509525 542976948 /nfs/dbraw/zinc/97/69/48/542976948.db2.gz BWHXTOYPVWUPDQ-ZDUSSCGKSA-N 1 0 371.403 2.283 50 0 FEAARO C[C@H]1Cc2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)ccc2O1 ZINC000095509094 542977027 /nfs/dbraw/zinc/97/70/27/542977027.db2.gz NVHXAOFAGWFPLQ-AWEZNQCLSA-N 1 0 366.465 2.353 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000095528105 542981573 /nfs/dbraw/zinc/98/15/73/542981573.db2.gz BVXZENGQHGZNDO-SFHVURJKSA-N 1 0 374.460 2.023 50 0 FEAARO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127748281 544011596 /nfs/dbraw/zinc/01/15/96/544011596.db2.gz DJMVATGNNSLTJY-RBUKOAKNSA-N 1 0 353.470 2.181 50 0 FEAARO CS(=O)(=O)c1cnc(NCC2CCCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000072476449 221548484 /nfs/dbraw/zinc/54/84/84/221548484.db2.gz DYNMGQDZDKSSOZ-CQSZACIVSA-N 1 0 352.504 2.339 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCc2cccnc2)C1 ZINC000095352844 221852339 /nfs/dbraw/zinc/85/23/39/221852339.db2.gz BOIJZPPHUSXABZ-GOSISDBHSA-N 1 0 355.486 2.179 50 0 FEAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1c[nH]c(=O)cc1O)CC2 ZINC000096141157 222045854 /nfs/dbraw/zinc/04/58/54/222045854.db2.gz GDHAOIFFXQJGES-INIZCTEOSA-N 1 0 367.449 2.175 50 0 FEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000096149560 222051911 /nfs/dbraw/zinc/05/19/11/222051911.db2.gz ARSLEHSRMAJSNB-MRXNPFEDSA-N 1 0 357.458 2.352 50 0 FEAARO C/C=C\c1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000096926371 222140887 /nfs/dbraw/zinc/14/08/87/222140887.db2.gz VVTAFDKWCQUACT-SUZKBHRPSA-N 1 0 362.470 2.022 50 0 FEAARO C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2CCCN(C(C)=O)CC2)c(OC)c1 ZINC000096926370 222141685 /nfs/dbraw/zinc/14/16/85/222141685.db2.gz VVTAFDKWCQUACT-WLPBJKJWSA-N 1 0 362.470 2.022 50 0 FEAARO NC(=O)c1cccc(NC(=O)NC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000097136960 222163561 /nfs/dbraw/zinc/16/35/61/222163561.db2.gz PECFIALSVHENDQ-UHFFFAOYSA-N 1 0 362.499 2.267 50 0 FEAARO CC(C)Nc1ncc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)cn1 ZINC000097156023 222164500 /nfs/dbraw/zinc/16/45/00/222164500.db2.gz MRVYJFOUOIQBMM-UHFFFAOYSA-N 1 0 363.531 2.387 50 0 FEAARO Cc1c[nH]c(CN2CCC3(CC2)CC[N@H+](Cc2cc(C)no2)C[C@@H]3CO)n1 ZINC000097301231 222173005 /nfs/dbraw/zinc/17/30/05/222173005.db2.gz XZZVWEVXBVMHCF-QGZVFWFLSA-N 1 0 373.501 2.111 50 0 FEAARO CC(C)[NH+]1CCC2(CC[C@H](CNC(=O)CCc3csc(N)n3)O2)CC1 ZINC000097436903 222180343 /nfs/dbraw/zinc/18/03/43/222180343.db2.gz NHVVQWQTSGJJBH-OAHLLOKOSA-N 1 0 366.531 2.196 50 0 FEAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cnc2sccn2c1=O ZINC000097463542 222181799 /nfs/dbraw/zinc/18/17/99/222181799.db2.gz HBIWJAYZFSAWRJ-GFCCVEGCSA-N 1 0 374.491 2.212 50 0 FEAARO Cc1nn(C)c(C)c1CN(CCO)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000097495439 222185659 /nfs/dbraw/zinc/18/56/59/222185659.db2.gz ATDFWCXAQIMDBJ-UHFFFAOYSA-N 1 0 370.497 2.267 50 0 FEAARO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCn2c(C)cccc2=O)C1 ZINC000097637869 222201897 /nfs/dbraw/zinc/20/18/97/222201897.db2.gz BKSMVEJSIJHASA-LJQANCHMSA-N 1 0 367.493 2.494 50 0 FEAARO CNC(=O)c1cccc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000097797506 222215112 /nfs/dbraw/zinc/21/51/12/222215112.db2.gz KPKZRGRDKWEJHE-UHFFFAOYSA-N 1 0 367.453 2.227 50 0 FEAARO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[C@H]1C ZINC000102407607 222294917 /nfs/dbraw/zinc/29/49/17/222294917.db2.gz VMFGFLCXPLOUOF-JKIFEVAISA-N 1 0 367.515 2.290 50 0 FEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c(OC)c1OC ZINC000104437239 222358292 /nfs/dbraw/zinc/35/82/92/222358292.db2.gz DSUYYOJNVCANKW-QGZVFWFLSA-N 1 0 366.502 2.237 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)CC1 ZINC000104642846 222358923 /nfs/dbraw/zinc/35/89/23/222358923.db2.gz PGTCHVIKPJBJMY-HXUWFJFHSA-N 1 0 361.530 2.134 50 0 FEAARO C[C@H](CNC(=O)NCCNC(=O)c1ccccc1F)[N@@H+]1CCCC[C@@H]1C ZINC000106132998 222383616 /nfs/dbraw/zinc/38/36/16/222383616.db2.gz FJZPRZFGQWWOKF-LSDHHAIUSA-N 1 0 364.465 2.118 50 0 FEAARO CC[NH+](CC)[C@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000106920718 222388290 /nfs/dbraw/zinc/38/82/90/222388290.db2.gz JYSRBIVQRLSWPA-CABCVRRESA-N 1 0 353.457 2.428 50 0 FEAARO CCc1ccc2nc(C)cc(C(=O)N3CCN4CC[N@H+](C)C[C@H]4C3)c2c1 ZINC000107119183 222389821 /nfs/dbraw/zinc/38/98/21/222389821.db2.gz RSZHBVAEDUVZAP-KRWDZBQOSA-N 1 0 352.482 2.177 50 0 FEAARO CCOc1cc2c(cc1CN1CC[N@H+](C)[C@@]3(C1)CCNC(=O)CC3)CCC2 ZINC000107408644 222394496 /nfs/dbraw/zinc/39/44/96/222394496.db2.gz DZVLJLMEEWUHEL-JOCHJYFZSA-N 1 0 371.525 2.360 50 0 FEAARO CCCn1nc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)ccc1=O ZINC000025460221 263388594 /nfs/dbraw/zinc/38/85/94/263388594.db2.gz HBOMNKKLDQYULV-UHFFFAOYSA-N 1 0 368.481 2.220 50 0 FEAARO CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)NC1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000426572990 263637053 /nfs/dbraw/zinc/63/70/53/263637053.db2.gz BPEFFWIFNMOYFY-DZFIZOCASA-N 1 0 358.486 2.112 50 0 FEAARO CCCCc1nnc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000078461612 325047000 /nfs/dbraw/zinc/04/70/00/325047000.db2.gz ZXPQLBYPCRHMBU-CYBMUJFWSA-N 1 0 353.492 2.067 50 0 FEAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)N[C@@H]1CCOc2ccccc21 ZINC000171644878 327151234 /nfs/dbraw/zinc/15/12/34/327151234.db2.gz ASVUNIVSSXAIDK-SJLPKXTDSA-N 1 0 366.465 2.455 50 0 FEAARO CCOC1CC([NH2+]C2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000271858032 329731512 /nfs/dbraw/zinc/73/15/12/329731512.db2.gz YAWDDLYECHFTHT-UHFFFAOYSA-N 1 0 352.500 2.138 50 0 FEAARO CC(C)Oc1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)cc1CO ZINC000020601701 519779175 /nfs/dbraw/zinc/77/91/75/519779175.db2.gz OLXQNILYDQLKKO-IBGZPJMESA-N 1 0 350.503 2.243 50 0 FEAARO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000241693900 520252580 /nfs/dbraw/zinc/25/25/80/520252580.db2.gz QIRJBVMORQZHHD-NEPJUHHUSA-N 1 0 358.408 2.334 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091603778 520571207 /nfs/dbraw/zinc/57/12/07/520571207.db2.gz XDQBJJNVHPETOU-UHFFFAOYSA-N 1 0 372.513 2.155 50 0 FEAARO CC[N@@H+]1CCCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CC1 ZINC000091452521 521611089 /nfs/dbraw/zinc/61/10/89/521611089.db2.gz NACCDEUSUOJFND-UHFFFAOYSA-N 1 0 373.409 2.150 50 0 FEAARO CC[NH+]1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1 ZINC000019899209 521689666 /nfs/dbraw/zinc/68/96/66/521689666.db2.gz BVBDUXPCDIUIPN-UHFFFAOYSA-N 1 0 361.881 2.297 50 0 FEAARO COCc1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000091562778 523264757 /nfs/dbraw/zinc/26/47/57/523264757.db2.gz IEQIMCZKIHAVQJ-DOTOQJQBSA-N 1 0 360.433 2.452 50 0 FEAARO CN(C(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000179073492 523960118 /nfs/dbraw/zinc/96/01/18/523960118.db2.gz BFTRRGJALAQURP-SECBINFHSA-N 1 0 373.766 2.373 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000019889476 523977297 /nfs/dbraw/zinc/97/72/97/523977297.db2.gz ZYGBRNLERRAQPU-KRWDZBQOSA-N 1 0 368.433 2.476 50 0 FEAARO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000158188565 525542810 /nfs/dbraw/zinc/54/28/10/525542810.db2.gz QCIILCDZVDWVIX-VXGBXAGGSA-N 1 0 363.405 2.161 50 0 FEAARO Cc1ccnc([C@H](NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C2CC2)c1 ZINC000244594103 525715242 /nfs/dbraw/zinc/71/52/42/525715242.db2.gz DGKWJPQDWRAYSV-RVKKMQEKSA-N 1 0 354.458 2.305 50 0 FEAARO Cc1ccnn1CC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082157747 525773606 /nfs/dbraw/zinc/77/36/06/525773606.db2.gz CBAVVZVTLNXRKF-UHFFFAOYSA-N 1 0 370.501 2.243 50 0 FEAARO O=C(CCCn1c(=O)c2cccn2c2ccccc21)NCC[NH+]1CCCC1 ZINC000020489794 526470142 /nfs/dbraw/zinc/47/01/42/526470142.db2.gz CBSKZTVPJUCUPP-UHFFFAOYSA-N 1 0 366.465 2.246 50 0 FEAARO Cc1noc(C)c1C[NH+]1CCC(c2nnc(Cn3cccn3)n2C)CC1 ZINC000091691506 526502009 /nfs/dbraw/zinc/50/20/09/526502009.db2.gz BZVDKZGWQGUWFC-UHFFFAOYSA-N 1 0 355.446 2.044 50 0 FEAARO O=C(CN1CCCCC1=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091644487 526738574 /nfs/dbraw/zinc/73/85/74/526738574.db2.gz WYNZIOJDMDXWGB-PKOBYXMFSA-N 1 0 373.472 2.261 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000158262683 527400404 /nfs/dbraw/zinc/40/04/04/527400404.db2.gz WRJAHXAZDZVVHE-KRWDZBQOSA-N 1 0 358.463 2.224 50 0 FEAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3cccc(O)c3)CC2)n1C ZINC000091410773 527449478 /nfs/dbraw/zinc/44/94/78/527449478.db2.gz GJLCJJLZOYEJHQ-UHFFFAOYSA-N 1 0 366.469 2.454 50 0 FEAARO OCC[C@@H]1C[N@H+](CCCn2cccn2)CCN1Cc1ccc(F)c(F)c1 ZINC000020455036 527565589 /nfs/dbraw/zinc/56/55/89/527565589.db2.gz JIDMCEOIUDREEN-QGZVFWFLSA-N 1 0 364.440 2.120 50 0 FEAARO Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000082121064 527618659 /nfs/dbraw/zinc/61/86/59/527618659.db2.gz NDEZTUOAXBJAKU-OALUTQOASA-N 1 0 352.482 2.455 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N3CCSCC3)nc2)C1 ZINC000011818198 535133426 /nfs/dbraw/zinc/13/34/26/535133426.db2.gz FTZYACHLNZSQQP-INIZCTEOSA-N 1 0 362.543 2.343 50 0 FEAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](CC(C)(C)CO)C2)CC1 ZINC000023375236 537070243 /nfs/dbraw/zinc/07/02/43/537070243.db2.gz AXONMRCKRSFXOP-GOSISDBHSA-N 1 0 361.530 2.300 50 0 FEAARO COc1cccc(-n2nc3c(c2C)c(C)nnc3N2CC[NH+](C)CC2)c1 ZINC000004666063 537073088 /nfs/dbraw/zinc/07/30/88/537073088.db2.gz LUGVXGXQMJJLON-UHFFFAOYSA-N 1 0 352.442 2.193 50 0 FEAARO C[C@H]1CN(C(=O)CCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CCO1 ZINC000170595750 546162163 /nfs/dbraw/zinc/16/21/63/546162163.db2.gz CTJUDZFHIXQUSG-HNNXBMFYSA-N 1 0 369.506 2.003 50 0 FEAARO O=C(NCc1noc(-c2cccc(F)c2)n1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000170600618 546163504 /nfs/dbraw/zinc/16/35/04/546163504.db2.gz KVOYAUKXMNZKKL-INIZCTEOSA-N 1 0 374.416 2.135 50 0 FEAARO CN(CC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000218857609 548690126 /nfs/dbraw/zinc/69/01/26/548690126.db2.gz NTNNVJIQBHPWFM-FQEVSTJZSA-N 1 0 359.514 2.222 50 0 FEAARO O=C(c1cccc2c1OCCO2)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000219190850 548692681 /nfs/dbraw/zinc/69/26/81/548692681.db2.gz ITYAHFWLHVNACL-INIZCTEOSA-N 1 0 360.454 2.175 50 0 FEAARO CN(C)[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc2c(c1)OCO2 ZINC000221181785 548703747 /nfs/dbraw/zinc/70/37/47/548703747.db2.gz RTJCDQNYWXSSMV-GOSISDBHSA-N 1 0 356.426 2.147 50 0 FEAARO COc1ccc(-c2noc(CN(C)c3cc(C4CC([NH3+])C4)ncn3)n2)cc1 ZINC000222588288 548708931 /nfs/dbraw/zinc/70/89/31/548708931.db2.gz CYKFNZGHTDGECP-UHFFFAOYSA-N 1 0 366.425 2.376 50 0 FEAARO CN(C)c1nc(CNC(=O)C2(c3ccccc3)CC[NH+](C)CC2)cs1 ZINC000223032144 548715569 /nfs/dbraw/zinc/71/55/69/548715569.db2.gz CGTKYSHTQFEYCX-UHFFFAOYSA-N 1 0 358.511 2.489 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(C(N)=O)c(Cl)n2)C1 ZINC000225801842 548743498 /nfs/dbraw/zinc/74/34/98/548743498.db2.gz UGHQYTVNMWLOFO-VXGBXAGGSA-N 1 0 366.893 2.320 50 0 FEAARO CC(C)n1cc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000230164568 548758805 /nfs/dbraw/zinc/75/88/05/548758805.db2.gz ODVNTNIUGRWWFA-OAQYLSRUSA-N 1 0 373.545 2.373 50 0 FEAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccccc1OC ZINC000236771374 548779348 /nfs/dbraw/zinc/77/93/48/548779348.db2.gz YMCZRKMCSYFGSI-SYNHAJSKSA-N 1 0 373.497 2.335 50 0 FEAARO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237090291 548799311 /nfs/dbraw/zinc/79/93/11/548799311.db2.gz LTRHVEJAQMPHJA-XJKSGUPXSA-N 1 0 351.878 2.120 50 0 FEAARO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237090318 548799332 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O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000238005893 548872066 /nfs/dbraw/zinc/87/20/66/548872066.db2.gz ORTOJBOISZTMAM-MLGOLLRUSA-N 1 0 373.280 2.224 50 0 FEAARO CC[N@H+](Cc1ccccc1)C1CCN(CC(=O)Nc2ccn(C)n2)CC1 ZINC000243892967 548888829 /nfs/dbraw/zinc/88/88/29/548888829.db2.gz AMUCQAABNCFPTA-UHFFFAOYSA-N 1 0 355.486 2.345 50 0 FEAARO CSCC[NH+]1CCC(Nc2cc([C@H]3C[C@@H](NC(C)=O)C3)ncn2)CC1 ZINC000243892394 548888919 /nfs/dbraw/zinc/88/89/19/548888919.db2.gz AHRGUGNFGCARDK-FZNQNYSPSA-N 1 0 363.531 2.098 50 0 FEAARO COCc1nc(NCc2noc(-c3ccccc3)n2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244633674 548892028 /nfs/dbraw/zinc/89/20/28/548892028.db2.gz GHKPQVGHSDPMSV-HDJSIYSDSA-N 1 0 366.425 2.490 50 0 FEAARO O[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1nc(-c2ccccc2)no1 ZINC000244716297 548892672 /nfs/dbraw/zinc/89/26/72/548892672.db2.gz LMMJJNFCXOXKHC-IAGOWNOFSA-N 1 0 351.410 2.179 50 0 FEAARO COc1ccc(CCCC(=O)N[C@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)cc1 ZINC000244701023 548892751 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O=S(=O)(NCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1)c1ccccc1 ZINC000329777282 554004184 /nfs/dbraw/zinc/00/41/84/554004184.db2.gz KJIGSZISUDGIIO-SFHVURJKSA-N 1 0 371.506 2.102 50 0 FEAARO CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000333902323 554654077 /nfs/dbraw/zinc/65/40/77/554654077.db2.gz ZMFSGTFCOXEQDD-HUUCEWRRSA-N 1 0 351.516 2.480 50 0 FEAARO C[C@H]1c2cc(F)ccc2CCN1C(=O)NC(C)(C)CN1CC[NH+](C)CC1 ZINC000426488500 559735483 /nfs/dbraw/zinc/73/54/83/559735483.db2.gz ZHSMUHVIBOTVFX-HNNXBMFYSA-N 1 0 362.493 2.480 50 0 FEAARO COc1cc2c(cc1CNC(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1)CCC2 ZINC000426509777 559736331 /nfs/dbraw/zinc/73/63/31/559736331.db2.gz AWOFPWXEDRHEGJ-QGZVFWFLSA-N 1 0 368.481 2.164 50 0 FEAARO Cc1cccc(C[NH+]2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2)c1 ZINC000426509521 559736456 /nfs/dbraw/zinc/73/64/56/559736456.db2.gz RNDTZXAYMOUYMS-QGZVFWFLSA-N 1 0 353.470 2.193 50 0 FEAARO COc1ccc2ccccc2c1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000426578513 559738276 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Cc1cccc([C@@H](CNC(=O)N2CCC3(CCC(=O)N3)CC2)[NH+](C)C)c1 ZINC000534591495 562537802 /nfs/dbraw/zinc/53/78/02/562537802.db2.gz YYONKEVLTJVZJS-QGZVFWFLSA-N 1 0 358.486 2.052 50 0 FEAARO CN(C(=O)c1cccc(-c2ccc(-n3cnnc3)nc2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000534673741 562540155 /nfs/dbraw/zinc/54/01/55/562540155.db2.gz BBAVAKCHIXZESI-GOSISDBHSA-N 1 0 362.437 2.105 50 0 FEAARO NS(=O)(=O)N1CC[NH+](Cc2cccc3c4ccccc4sc32)CC1 ZINC000216506754 568126259 /nfs/dbraw/zinc/12/62/59/568126259.db2.gz RVXYVXWYQMUZRB-UHFFFAOYSA-N 1 0 361.492 2.376 50 0 FEAARO C[C@@H]1CN([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000222088919 568495844 /nfs/dbraw/zinc/49/58/44/568495844.db2.gz NTKVWQNMNACXGL-DYESRHJHSA-N 1 0 370.541 2.107 50 0 FEAARO CN(C)S(=O)(=O)c1ccc(OCC[NH+]2CCc3ccccc3CC2)cc1 ZINC000083852230 571053051 /nfs/dbraw/zinc/05/30/51/571053051.db2.gz NVMVBQFJWYDRDB-UHFFFAOYSA-N 1 0 374.506 2.417 50 0 FEAARO CN(C(=S)NC(=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000003669673 571121059 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CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000667191292 679076111 /nfs/dbraw/zinc/07/61/11/679076111.db2.gz MTJDRLLTPOHRLQ-GFCCVEGCSA-N 1 0 371.478 2.471 50 0 FEAARO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000002639313 539349800 /nfs/dbraw/zinc/34/98/00/539349800.db2.gz KVZPZSCYPJCPEG-FUHWJXTLSA-N 1 0 357.406 2.059 50 0 FEAARO CC(C)=CC[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@H]1CCO ZINC000036385628 210185394 /nfs/dbraw/zinc/18/53/94/210185394.db2.gz NJOCPEWZAWYBAN-GOSISDBHSA-N 1 0 355.486 2.102 50 0 FEAARO C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)N1CCC[N@H+](C)CC1 ZINC000003430421 539365877 /nfs/dbraw/zinc/36/58/77/539365877.db2.gz AOLGXVUGBIZPHO-MRXNPFEDSA-N 1 0 353.466 2.051 50 0 FEAARO O=C(CCN1Cc2ccccc2C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000225411603 210178192 /nfs/dbraw/zinc/17/81/92/210178192.db2.gz HJNYMOMIINEGJR-VQIMIIECSA-N 1 0 355.482 2.413 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004373246 539383678 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Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105471379 210137748 /nfs/dbraw/zinc/13/77/48/210137748.db2.gz ACSNFXCRNKCWDI-HNNXBMFYSA-N 1 0 350.413 2.188 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000008343749 539484526 /nfs/dbraw/zinc/48/45/26/539484526.db2.gz NDAIWXAKSLKACX-PMACEKPBSA-N 1 0 365.477 2.454 50 0 FEAARO CCOC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc3ccccc3c2)n1 ZINC000008574911 539488851 /nfs/dbraw/zinc/48/88/51/539488851.db2.gz KTNOXQXPPIJFMK-UHFFFAOYSA-N 1 0 365.393 2.487 50 0 FEAARO COC(=O)CC[C@H]1CN(Cc2ccc(O)c(OC)c2)CC[C@H]1[NH+](C)C ZINC000011784165 539535216 /nfs/dbraw/zinc/53/52/16/539535216.db2.gz FRAJNVOPJOBCMK-JKSUJKDBSA-N 1 0 350.459 2.106 50 0 FEAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC[C@@H](C)O)CC2)CC1 ZINC000011839352 539536071 /nfs/dbraw/zinc/53/60/71/539536071.db2.gz DOQCYPOUYZKWSN-GOSISDBHSA-N 1 0 373.541 2.168 50 0 FEAARO Cc1n[nH]c(C)c1C[N@@H+](C)C[C@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000011952094 539539486 /nfs/dbraw/zinc/53/94/86/539539486.db2.gz RNLDSOCTIVGPOB-HXUWFJFHSA-N 1 0 362.518 2.392 50 0 FEAARO Cc1c(C(=O)N2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000012097402 539542520 /nfs/dbraw/zinc/54/25/20/539542520.db2.gz SIHAKJFKKBIFGF-UHFFFAOYSA-N 1 0 359.499 2.378 50 0 FEAARO CCOc1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1OCc1cccnc1 ZINC000125288640 210061865 /nfs/dbraw/zinc/06/18/65/210061865.db2.gz SWUPXKUFONGYCI-OAHLLOKOSA-N 1 0 355.438 2.493 50 0 FEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2coc(COc3cccc(F)c3F)n2)C1 ZINC000012438708 539560454 /nfs/dbraw/zinc/56/04/54/539560454.db2.gz CQDZDYASHVGAFJ-LLVKDONJSA-N 1 0 351.353 2.308 50 0 FEAARO Cc1nnc(SCC(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000299802342 210041776 /nfs/dbraw/zinc/04/17/76/210041776.db2.gz YURFVHSDTKEPDT-OAHLLOKOSA-N 1 0 360.483 2.384 50 0 FEAARO C[C@H]1CCC(=O)N1c1cccc(NC(=O)NCC[NH+]2CCC(CO)CC2)c1 ZINC000299800013 210041047 /nfs/dbraw/zinc/04/10/47/210041047.db2.gz YRFOFSNJSOIPQB-HNNXBMFYSA-N 1 0 374.485 2.028 50 0 FEAARO COc1cccc(CCC(=O)N2CCC[C@H]([NH+]3CCC(CO)CC3)C2)c1 ZINC000012475498 539562147 /nfs/dbraw/zinc/56/21/47/539562147.db2.gz IOOATEZCQGCBHQ-IBGZPJMESA-N 1 0 360.498 2.323 50 0 FEAARO O=C(NCCC[N@H+]1CCC[C@@H](CO)C1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000299783483 210027677 /nfs/dbraw/zinc/02/76/77/210027677.db2.gz VEHJSPLANTUXLD-OAHLLOKOSA-N 1 0 357.458 2.293 50 0 FEAARO COc1ccc(C)c(NC(=O)NCC[C@@H]2CCC(=O)N2CC[NH+](C)C)c1 ZINC000299784184 210027366 /nfs/dbraw/zinc/02/73/66/210027366.db2.gz IATSQTVMEPCOQZ-HNNXBMFYSA-N 1 0 362.474 2.068 50 0 FEAARO CC(C)(O)c1cncc(-c2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)c2)c1 ZINC000299785118 210026506 /nfs/dbraw/zinc/02/65/06/210026506.db2.gz IRTPCSMKWJLDNN-QFBILLFUSA-N 1 0 351.450 2.410 50 0 FEAARO COC[C@H](c1ccccn1)N(C)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299776098 210020160 /nfs/dbraw/zinc/02/01/60/210020160.db2.gz NEFDYBZNJKMCHA-LJQANCHMSA-N 1 0 361.486 2.119 50 0 FEAARO O=C(CN1CCCCCC1=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000299771692 210019835 /nfs/dbraw/zinc/01/98/35/210019835.db2.gz WHXSLHPNNVZVME-GOSISDBHSA-N 1 0 358.486 2.127 50 0 FEAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(Cn2cccn2)c1 ZINC000299773112 210019110 /nfs/dbraw/zinc/01/91/10/210019110.db2.gz AOAUJXRBMWTVRE-UHFFFAOYSA-N 1 0 368.481 2.305 50 0 FEAARO COCCN1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299763740 210013505 /nfs/dbraw/zinc/01/35/05/210013505.db2.gz QNNFSGIMGCHIQN-ZCNNSNEGSA-N 1 0 357.498 2.003 50 0 FEAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ccnn3C)C2)CC1 ZINC000015074109 539611826 /nfs/dbraw/zinc/61/18/26/539611826.db2.gz SIQSLOBIBIVQLT-SFHVURJKSA-N 1 0 367.497 2.155 50 0 FEAARO COC1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000015073201 539611871 /nfs/dbraw/zinc/61/18/71/539611871.db2.gz IXFIWMOMZIEDPS-KRWDZBQOSA-N 1 0 360.502 2.301 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(C)c2)C3)CC1 ZINC000015779419 539623624 /nfs/dbraw/zinc/62/36/24/539623624.db2.gz LRGUYUGVVRZWGX-UHFFFAOYSA-N 1 0 351.498 2.485 50 0 FEAARO CCCc1ccc(S(=O)(=O)NCC2CC[NH+](CCOC)CC2)cc1 ZINC000023127562 539706567 /nfs/dbraw/zinc/70/65/67/539706567.db2.gz UXULWUXLCQADDQ-UHFFFAOYSA-N 1 0 354.516 2.276 50 0 FEAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000025413253 539759923 /nfs/dbraw/zinc/75/99/23/539759923.db2.gz CBIYNIISAKDDAK-KURKYZTESA-N 1 0 359.514 2.265 50 0 FEAARO CCCC1N=NC(=S)N1CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029837478 539866535 /nfs/dbraw/zinc/86/65/35/539866535.db2.gz ALJVQKKVCSTCHA-CQSZACIVSA-N 1 0 365.478 2.078 50 0 FEAARO CC(=O)N1CCc2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000031339094 539905384 /nfs/dbraw/zinc/90/53/84/539905384.db2.gz IQHYGHCTQDHLOI-UHFFFAOYSA-N 1 0 363.461 2.384 50 0 FEAARO COc1ccccc1NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000031663653 539915500 /nfs/dbraw/zinc/91/55/00/539915500.db2.gz LSXZXTYDJVKSOU-QGZVFWFLSA-N 1 0 355.438 2.236 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccccc1 ZINC000032517922 539942303 /nfs/dbraw/zinc/94/23/03/539942303.db2.gz PZKQQYYPRIFAPT-ICSRJNTNSA-N 1 0 353.466 2.261 50 0 FEAARO Cc1nn(C)c2ncc(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)cc12 ZINC000032730361 539948980 /nfs/dbraw/zinc/94/89/80/539948980.db2.gz GOYOKFKEXUWEBE-KRWDZBQOSA-N 1 0 355.417 2.449 50 0 FEAARO CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000225437011 222841007 /nfs/dbraw/zinc/84/10/07/222841007.db2.gz HSKYMKBHHNCHQI-GPANFISMSA-N 1 0 367.559 2.457 50 0 FEAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNC(=O)c1ccco1 ZINC000032976364 539961910 /nfs/dbraw/zinc/96/19/10/539961910.db2.gz MWZNFQCJZXXLBG-UHFFFAOYSA-N 1 0 370.453 2.098 50 0 FEAARO C/C=C\c1ccc(OC[C@@H](O)C[NH+](CCOC)CCOC)c(OC)c1 ZINC000033503796 539974773 /nfs/dbraw/zinc/97/47/73/539974773.db2.gz MLOHZAVXDIVOHQ-OSJSJHBBSA-N 1 0 353.459 2.063 50 0 FEAARO O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000035485360 539982457 /nfs/dbraw/zinc/98/24/57/539982457.db2.gz NTUKPSYPNBWTMB-OALUTQOASA-N 1 0 355.482 2.141 50 0 FEAARO CN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2C1=O ZINC000036685214 539992999 /nfs/dbraw/zinc/99/29/99/539992999.db2.gz MPWFCVQJUSIVDJ-CQSZACIVSA-N 1 0 357.435 2.007 50 0 FEAARO C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000040091340 540006192 /nfs/dbraw/zinc/00/61/92/540006192.db2.gz ZWTVOKBXRWDHIR-FUHWJXTLSA-N 1 0 351.516 2.217 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000237208165 222905949 /nfs/dbraw/zinc/90/59/49/222905949.db2.gz JFZNXWMRUOLJOE-JTQLQIEISA-N 1 0 365.268 2.208 50 0 FEAARO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000238057853 222913370 /nfs/dbraw/zinc/91/33/70/222913370.db2.gz LDDGDEOBACTZQP-SECBINFHSA-N 1 0 353.669 2.214 50 0 FEAARO [NH3+]Cc1ccc(C(=O)N[C@H]2C[C@@H](c3cc(N4CCCC4)ncn3)C2)cc1 ZINC000244715878 222931696 /nfs/dbraw/zinc/93/16/96/222931696.db2.gz LDWOZXMIDOXVLE-CALCHBBNSA-N 1 0 351.454 2.212 50 0 FEAARO C[NH+](C)C[C@@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccccc1 ZINC000052555298 540472915 /nfs/dbraw/zinc/47/29/15/540472915.db2.gz NBFBHFAZRKYZHV-QGZVFWFLSA-N 1 0 361.467 2.091 50 0 FEAARO O=C(CCNC(=O)c1ccncc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000052590710 540476632 /nfs/dbraw/zinc/47/66/32/540476632.db2.gz ZOXLEHDJDJVQPS-UHFFFAOYSA-N 1 0 366.465 2.114 50 0 FEAARO COc1ccc(C[NH+]2CCC(Cc3nncn3C)CC2)c(OC)c1OC ZINC000055340780 540647111 /nfs/dbraw/zinc/64/71/11/540647111.db2.gz BVMYEFANNSFAPM-UHFFFAOYSA-N 1 0 360.458 2.296 50 0 FEAARO CCOC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000055505158 540656437 /nfs/dbraw/zinc/65/64/37/540656437.db2.gz QPZADWIOYPXCHT-LJQANCHMSA-N 1 0 358.482 2.495 50 0 FEAARO C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)CC1 ZINC000057053990 540765260 /nfs/dbraw/zinc/76/52/60/540765260.db2.gz OECZJERHHRDGLQ-FQEVSTJZSA-N 1 0 367.449 2.213 50 0 FEAARO O=C(CNC(=O)c1ccoc1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000058213134 540833884 /nfs/dbraw/zinc/83/38/84/540833884.db2.gz PEMIRIZYYUOKDJ-UHFFFAOYSA-N 1 0 373.478 2.239 50 0 FEAARO CCNC(=O)CN(CC)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058216300 540834191 /nfs/dbraw/zinc/83/41/91/540834191.db2.gz ARGYFVLMHPKKFG-OAHLLOKOSA-N 1 0 366.531 2.128 50 0 FEAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000066700081 541362538 /nfs/dbraw/zinc/36/25/38/541362538.db2.gz REHOPXHOZNSWQF-GFCCVEGCSA-N 1 0 350.492 2.309 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]Cc3ccco3)C2=O)c1 ZINC000067820974 541517513 /nfs/dbraw/zinc/51/75/13/541517513.db2.gz TYTRCVNRTDNJMO-LJQANCHMSA-N 1 0 362.401 2.071 50 0 FEAARO CSCc1noc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000072124068 541784162 /nfs/dbraw/zinc/78/41/62/541784162.db2.gz XSONARWWCFBVCZ-MRXNPFEDSA-N 1 0 359.499 2.424 50 0 FEAARO Cc1c(S(=O)(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cnn1C ZINC000072133118 541785234 /nfs/dbraw/zinc/78/52/34/541785234.db2.gz BCQOHDXXGHCQEV-HNNXBMFYSA-N 1 0 354.520 2.194 50 0 FEAARO COc1ccc(CCN(Cc2ccncc2)C(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000072130890 541785164 /nfs/dbraw/zinc/78/51/64/541785164.db2.gz JKLALUIDUKFIQI-IBGZPJMESA-N 1 0 369.465 2.040 50 0 FEAARO O=C(c1ccccc1N1CCCC1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072141945 541787149 /nfs/dbraw/zinc/78/71/49/541787149.db2.gz DDIXQWRANGFPLR-SFHVURJKSA-N 1 0 357.498 2.348 50 0 FEAARO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)s1 ZINC000072146896 541788388 /nfs/dbraw/zinc/78/83/88/541788388.db2.gz GJRVHDPIHUPTNE-IBGZPJMESA-N 1 0 355.463 2.032 50 0 FEAARO C[C@H]1CN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)CC[NH2+]1 ZINC000072146274 541788438 /nfs/dbraw/zinc/78/84/38/541788438.db2.gz NOJIEAFZYPFNIX-INIZCTEOSA-N 1 0 361.449 2.350 50 0 FEAARO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072145523 541788315 /nfs/dbraw/zinc/78/83/15/541788315.db2.gz SZOVWGLHGOGKLN-QGZVFWFLSA-N 1 0 372.444 2.277 50 0 FEAARO Cc1ccccc1-c1cccc(C(=O)N2CCO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC000072149606 541789220 /nfs/dbraw/zinc/78/92/20/541789220.db2.gz GJVQSPJEOYRKSW-JOCHJYFZSA-N 1 0 366.461 2.493 50 0 FEAARO O=C(c1cocn1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072150888 541789470 /nfs/dbraw/zinc/78/94/70/541789470.db2.gz CWTWIILPFGEPSM-NIKGAXFTSA-N 1 0 367.405 2.106 50 0 FEAARO O=C(c1cnn2cccnc12)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072163195 541793115 /nfs/dbraw/zinc/79/31/15/541793115.db2.gz SWKFQLMFYIJHKK-VAMGGRTRSA-N 1 0 373.460 2.432 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)c3ccc(=O)[nH]c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072163708 541793547 /nfs/dbraw/zinc/79/35/47/541793547.db2.gz QYLBNKNAWRKPLK-HMXCVIKNSA-N 1 0 363.461 2.386 50 0 FEAARO O=S(=O)(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1cccnc1 ZINC000072166195 541794464 /nfs/dbraw/zinc/79/44/64/541794464.db2.gz JMCVJJWEKNTRKQ-SFHVURJKSA-N 1 0 359.495 2.457 50 0 FEAARO Cc1cc(C)c(C(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)c(=O)[nH]1 ZINC000072408242 541806255 /nfs/dbraw/zinc/80/62/55/541806255.db2.gz BQVAVGKQCVGSNZ-UHFFFAOYSA-N 1 0 354.454 2.123 50 0 FEAARO C[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072438119 541814413 /nfs/dbraw/zinc/81/44/13/541814413.db2.gz GRIQSCOEVHHWPW-UHFFFAOYSA-N 1 0 361.530 2.146 50 0 FEAARO Cn1c(CO)nnc1C1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072440090 541814981 /nfs/dbraw/zinc/81/49/81/541814981.db2.gz KYZFIKWGQKHINY-UHFFFAOYSA-N 1 0 372.513 2.391 50 0 FEAARO COc1cccc(C[N@@H+]2CCc3ncnc(N[C@@H]4CCOC4)c3CC2)c1 ZINC000072469286 541818070 /nfs/dbraw/zinc/81/80/70/541818070.db2.gz DQPOJHZAJHBWIZ-MRXNPFEDSA-N 1 0 354.454 2.287 50 0 FEAARO CCNc1nc(NCCNS(=O)(=O)c2ccc(CC)cc2)cc(C)[nH+]1 ZINC000072442416 541815110 /nfs/dbraw/zinc/81/51/10/541815110.db2.gz VCPQPWJMFOMFNQ-UHFFFAOYSA-N 1 0 363.487 2.170 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)cc1F ZINC000072439193 541815139 /nfs/dbraw/zinc/81/51/39/541815139.db2.gz GNQXEYFJWIJWBI-DOTOQJQBSA-N 1 0 350.434 2.030 50 0 FEAARO CCOCc1nc2c(c(NCc3cncn3CC(C)C)n1)CC[NH2+]CC2 ZINC000072475329 541819517 /nfs/dbraw/zinc/81/95/17/541819517.db2.gz JILBFECLYWDYOV-UHFFFAOYSA-N 1 0 358.490 2.166 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000072475615 541819674 /nfs/dbraw/zinc/81/96/74/541819674.db2.gz XBZASDUKOWUXRB-OALUTQOASA-N 1 0 360.498 2.373 50 0 FEAARO c1coc(-c2nc3c(c(NCc4[nH]nc5c4CCC5)n2)CC[NH2+]CC3)c1 ZINC000072478961 541820582 /nfs/dbraw/zinc/82/05/82/541820582.db2.gz DOSMBPAJYUGYEP-UHFFFAOYSA-N 1 0 350.426 2.249 50 0 FEAARO CN1CCN(C(=O)CC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000072630443 541841020 /nfs/dbraw/zinc/84/10/20/541841020.db2.gz DWFUGYOXNYPCEV-UHFFFAOYSA-N 1 0 371.525 2.040 50 0 FEAARO O=C(c1ccoc1)N1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000075110579 542153662 /nfs/dbraw/zinc/15/36/62/542153662.db2.gz OTTVTPTZBQKGSH-KRWDZBQOSA-N 1 0 362.401 2.053 50 0 FEAARO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000075103721 542152945 /nfs/dbraw/zinc/15/29/45/542152945.db2.gz SUEURZOLIYWFQQ-UHFFFAOYSA-N 1 0 366.527 2.297 50 0 FEAARO CC(C)C(=O)NCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000026248303 211443708 /nfs/dbraw/zinc/44/37/08/211443708.db2.gz ISHOACRGMYGWHN-UHFFFAOYSA-N 1 0 360.502 2.244 50 0 FEAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)cc(=O)[nH]1 ZINC000023479144 211390452 /nfs/dbraw/zinc/39/04/52/211390452.db2.gz WNYGELGFGWSVGM-MRXNPFEDSA-N 1 0 350.426 2.039 50 0 FEAARO CC[NH+]1CCN(CC(=O)NCc2cccnc2N(C)C2CCCCC2)CC1 ZINC000023360302 211383540 /nfs/dbraw/zinc/38/35/40/211383540.db2.gz HTYZJJURZWASJX-UHFFFAOYSA-N 1 0 373.545 2.104 50 0 FEAARO COc1cccc([C@@H](CNC(=O)c2cccc(C(N)=O)c2)[NH+]2CCCC2)c1 ZINC000023081397 211375248 /nfs/dbraw/zinc/37/52/48/211375248.db2.gz OBGDKGRELDWPHP-LJQANCHMSA-N 1 0 367.449 2.361 50 0 FEAARO Cc1ccccc1C[NH+]1CCN(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000022815285 211365980 /nfs/dbraw/zinc/36/59/80/211365980.db2.gz RHPTWVVVDFTTQB-OALUTQOASA-N 1 0 355.482 2.245 50 0 FEAARO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000022010598 211335700 /nfs/dbraw/zinc/33/57/00/211335700.db2.gz SNYDCCWFQZWSGP-SNVBAGLBSA-N 1 0 354.248 2.258 50 0 FEAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCCN(c2ncccn2)CC1 ZINC000019607207 211240071 /nfs/dbraw/zinc/24/00/71/211240071.db2.gz XQWIMHHQVMIZAO-CQSZACIVSA-N 1 0 357.483 2.315 50 0 FEAARO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000018935290 211200348 /nfs/dbraw/zinc/20/03/48/211200348.db2.gz BWUNEKUDKHQFCZ-GOSISDBHSA-N 1 0 373.478 2.282 50 0 FEAARO CC(C)C[NH2+][C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000017084903 211179919 /nfs/dbraw/zinc/17/99/19/211179919.db2.gz ODZPBAGQYIHJJQ-GFCCVEGCSA-N 1 0 372.206 2.169 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016021921 211154263 /nfs/dbraw/zinc/15/42/63/211154263.db2.gz IXTCTVMNUPUTKN-ULMVMLMRSA-N 1 0 373.428 2.002 50 0 FEAARO O=C(CN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1)N1CC[NH2+]CC1 ZINC000015864151 211147831 /nfs/dbraw/zinc/14/78/31/211147831.db2.gz JTJAPTPKLRCUOB-UHFFFAOYSA-N 1 0 365.424 2.172 50 0 FEAARO CN(C)S(=O)(=O)N1CCC([C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000015063248 211117515 /nfs/dbraw/zinc/11/75/15/211117515.db2.gz WSYTUZZOARDAAF-IBGZPJMESA-N 1 0 365.543 2.069 50 0 FEAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCOC(C)C)cc1 ZINC000014879522 211104340 /nfs/dbraw/zinc/10/43/40/211104340.db2.gz GZLXZTXOEQEKNX-SFHVURJKSA-N 1 0 362.470 2.369 50 0 FEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]CC1(C)COC1)CC2 ZINC000014754876 211100043 /nfs/dbraw/zinc/10/00/43/211100043.db2.gz LCPCXNBLCIGQAE-MRXNPFEDSA-N 1 0 374.529 2.306 50 0 FEAARO COC(=O)C1C(C[N@@H+]2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566279 211040959 /nfs/dbraw/zinc/04/09/59/211040959.db2.gz CESBUDCKGYCTQM-SCLBCKFNSA-N 1 0 373.453 2.208 50 0 FEAARO CC[C@@H](O)CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012192193 210926265 /nfs/dbraw/zinc/92/62/65/210926265.db2.gz AQLOFFIIVHULEM-MRXNPFEDSA-N 1 0 364.486 2.448 50 0 FEAARO Cc1cc(C)n(Cc2cc(C(=O)NCC3([NH+](C)C)CCCCC3)[nH]n2)n1 ZINC000011936738 210905392 /nfs/dbraw/zinc/90/53/92/210905392.db2.gz HLQDJQZCQLIKEI-UHFFFAOYSA-N 1 0 358.490 2.266 50 0 FEAARO Cn1nnc(-c2ccc(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)cc2)n1 ZINC000077323125 542367651 /nfs/dbraw/zinc/36/76/51/542367651.db2.gz MNEDVDBQBAIZLP-UHFFFAOYSA-N 1 0 368.485 2.358 50 0 FEAARO CC(C)C[N@@H+]1CCn2nc(CNC(=O)c3cccc(N(C)C)c3)cc2C1 ZINC000077471331 542385899 /nfs/dbraw/zinc/38/58/99/542385899.db2.gz WCTWOPBYRNFSAI-UHFFFAOYSA-N 1 0 355.486 2.351 50 0 FEAARO CC(C)(C)c1ccc(C(=O)N2CCOC[C@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077486191 542387124 /nfs/dbraw/zinc/38/71/24/542387124.db2.gz ZVMYMWUKUSGAEB-NRFANRHFSA-N 1 0 360.498 2.283 50 0 FEAARO Cn1cccc1[C@H](CNC(=O)c1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000021152981 220353234 /nfs/dbraw/zinc/35/32/34/220353234.db2.gz DDMZUAXUFOIDMH-SFHVURJKSA-N 1 0 360.889 2.397 50 0 FEAARO C[NH+]1CCN([C@@H](CNC(=O)C2CCCCC2)c2ccc3c(c2)OCO3)CC1 ZINC000022577245 220391786 /nfs/dbraw/zinc/39/17/86/220391786.db2.gz RKGPRZVZHOXWHU-SFHVURJKSA-N 1 0 373.497 2.400 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)C1=NN(C)C(=O)CC1)c1ccccc1Cl ZINC000022681885 220394238 /nfs/dbraw/zinc/39/42/38/220394238.db2.gz OWTMIGVTUIXTFG-MRXNPFEDSA-N 1 0 364.877 2.447 50 0 FEAARO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000063125597 221142361 /nfs/dbraw/zinc/14/23/61/221142361.db2.gz NUCWBVGCKDCSJJ-UHFFFAOYSA-N 1 0 361.305 2.411 50 0 FEAARO Cc1noc(CN(C)C(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)n1 ZINC000065380734 221206344 /nfs/dbraw/zinc/20/63/44/221206344.db2.gz FOVCGFUYLAZHJD-UHFFFAOYSA-N 1 0 364.833 2.191 50 0 FEAARO Cc1ccc([C@H](C)NC(=O)CN2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000065382175 221207652 /nfs/dbraw/zinc/20/76/52/221207652.db2.gz PSERXMWHNXWPGZ-SFHVURJKSA-N 1 0 359.514 2.095 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000065385765 221209163 /nfs/dbraw/zinc/20/91/63/221209163.db2.gz UNVXIDCPCOVOGA-UHFFFAOYSA-N 1 0 366.849 2.339 50 0 FEAARO CC(C)Cc1noc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[NH2+]C4)n1 ZINC000065394050 221209416 /nfs/dbraw/zinc/20/94/16/221209416.db2.gz JPEDKKPEVPBOTP-SNVBAGLBSA-N 1 0 359.455 2.295 50 0 FEAARO Cc1cccc(CN2CCN(C(=O)CC[C@H]3CCC[N@@H+](C)C3)CC2=O)c1 ZINC000065496280 221226794 /nfs/dbraw/zinc/22/67/94/221226794.db2.gz JCWKWICUKVYVAU-GOSISDBHSA-N 1 0 357.498 2.288 50 0 FEAARO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCCn3ncnc32)c2ccccc21 ZINC000079053926 542496066 /nfs/dbraw/zinc/49/60/66/542496066.db2.gz FYSRITLJKLPPDD-INIZCTEOSA-N 1 0 352.442 2.059 50 0 FEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1(CN2CCOCC2)CCCCC1 ZINC000065506868 221228821 /nfs/dbraw/zinc/22/88/21/221228821.db2.gz HSJAIKKKHVHPQB-GOSISDBHSA-N 1 0 351.535 2.402 50 0 FEAARO C[C@@H](Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1)C1CC1 ZINC000067446589 221254795 /nfs/dbraw/zinc/25/47/95/221254795.db2.gz WYAHREXWOYGFGJ-OAHLLOKOSA-N 1 0 358.486 2.229 50 0 FEAARO CN1CCCN(Cc2ccnn2-c2ccccc2)CC12CC[NH+](C)CC2 ZINC000067654684 221266699 /nfs/dbraw/zinc/26/66/99/221266699.db2.gz LNPSQTDTXYDZND-UHFFFAOYSA-N 1 0 353.514 2.474 50 0 FEAARO COc1ccc(Cc2ncc3c(n2)CN(C(=O)[C@H]([NH3+])CC(C)C)C3)cc1 ZINC000067490763 221256872 /nfs/dbraw/zinc/25/68/72/221256872.db2.gz PACVJSBSVDAVTL-QGZVFWFLSA-N 1 0 354.454 2.292 50 0 FEAARO Cc1noc(C)c1C[NH2+]C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067515240 221258316 /nfs/dbraw/zinc/25/83/16/221258316.db2.gz OOCSMPHWVNGPCR-OAQYLSRUSA-N 1 0 371.481 2.367 50 0 FEAARO COc1cc(C)ccc1CN1CC[N@H+](C)C2(CCN(C(=O)N(C)C)CC2)C1 ZINC000067743703 221280824 /nfs/dbraw/zinc/28/08/24/221280824.db2.gz AUPJWICBMZAPIH-UHFFFAOYSA-N 1 0 374.529 2.267 50 0 FEAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCC[C@@H](CNC(C)=O)C3)cc2c1 ZINC000067773717 221284816 /nfs/dbraw/zinc/28/48/16/221284816.db2.gz MYYAMRZOZXGMGN-HNNXBMFYSA-N 1 0 357.454 2.275 50 0 FEAARO Cc1ncsc1Cn1nc(C2CC[NH2+]CC2)n(Cc2ccccc2)c1=O ZINC000067894768 221302341 /nfs/dbraw/zinc/30/23/41/221302341.db2.gz ANHROVOBYIZNOC-UHFFFAOYSA-N 1 0 369.494 2.373 50 0 FEAARO Cc1ccccc1[C@@H](C(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1)N(C)C ZINC000067947728 221307521 /nfs/dbraw/zinc/30/75/21/221307521.db2.gz FXDJXMSBVAJQHM-FQEVSTJZSA-N 1 0 372.557 2.226 50 0 FEAARO C[NH2+]C1CCN(C[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067954445 221308105 /nfs/dbraw/zinc/30/81/05/221308105.db2.gz RUUPSVGNUWHKRE-QFIPXVFZSA-N 1 0 373.541 2.347 50 0 FEAARO CCC1(C[NH2+]C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000071422120 221347397 /nfs/dbraw/zinc/34/73/97/221347397.db2.gz GDCBWOLYORKEKB-HXUWFJFHSA-N 1 0 364.461 2.468 50 0 FEAARO Cc1nccn1CCCn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071497756 221350964 /nfs/dbraw/zinc/35/09/64/221350964.db2.gz VSCRJJMQNGGGPA-KRWDZBQOSA-N 1 0 366.469 2.096 50 0 FEAARO COCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071552088 221352605 /nfs/dbraw/zinc/35/26/05/221352605.db2.gz QUDJDWZHJVDWLX-HXUWFJFHSA-N 1 0 373.541 2.468 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CC=CC1 ZINC000071754744 221365743 /nfs/dbraw/zinc/36/57/43/221365743.db2.gz XYSBTFZJUPGFBK-IBGZPJMESA-N 1 0 354.498 2.156 50 0 FEAARO CC[C@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1CCN(C(C)=O)C2 ZINC000071639171 221353931 /nfs/dbraw/zinc/35/39/31/221353931.db2.gz IBXDDBQBNKPBAP-MRXNPFEDSA-N 1 0 368.485 2.195 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000071768168 221372640 /nfs/dbraw/zinc/37/26/40/221372640.db2.gz ZODGRWBLYWIKIT-UHFFFAOYSA-N 1 0 367.852 2.425 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000071768162 221373022 /nfs/dbraw/zinc/37/30/22/221373022.db2.gz RRZFJLYQWOSSQC-UHFFFAOYSA-N 1 0 363.889 2.215 50 0 FEAARO Cc1ccc(S(=O)(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)s1 ZINC000082137711 542685237 /nfs/dbraw/zinc/68/52/37/542685237.db2.gz SHHSRXUHRHPSJK-UHFFFAOYSA-N 1 0 368.528 2.203 50 0 FEAARO Cc1cc(C)cc(N2CCN(C(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)CC2=O)c1 ZINC000077323564 132181110 /nfs/dbraw/zinc/18/11/10/132181110.db2.gz SRQFJXWVXIHZGS-MSOLQXFVSA-N 1 0 355.482 2.353 50 0 FEAARO COc1ccccc1N1CCN(C(=O)CC[C@H](C)[NH+]2CCCC2)CC1=O ZINC000082135004 132196817 /nfs/dbraw/zinc/19/68/17/132196817.db2.gz SOASSVZGYBSILG-INIZCTEOSA-N 1 0 359.470 2.135 50 0 FEAARO Cc1ncnc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c1C ZINC000091738228 132203804 /nfs/dbraw/zinc/20/38/04/132203804.db2.gz BXLUALYYUBPPFE-FQEVSTJZSA-N 1 0 357.502 2.007 50 0 FEAARO Cc1cc(C)c2c(ncnc2N2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000095386100 132210093 /nfs/dbraw/zinc/21/00/93/132210093.db2.gz VYXRUCQEYHOWHK-KRWDZBQOSA-N 1 0 354.502 2.105 50 0 FEAARO CO[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2ncc3ccc(F)cc3n2)CC1 ZINC000218975487 132273527 /nfs/dbraw/zinc/27/35/27/132273527.db2.gz RFXASXJGHWOLSA-SJLPKXTDSA-N 1 0 360.433 2.131 50 0 FEAARO Cc1nc(CN2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(C)n3)CC2)cs1 ZINC000244708009 132290212 /nfs/dbraw/zinc/29/02/12/132290212.db2.gz KLYFCBLBGMSVIN-GASCZTMLSA-N 1 0 358.515 2.077 50 0 FEAARO NC(=O)c1ccc(OCCC[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000244715994 132290507 /nfs/dbraw/zinc/29/05/07/132290507.db2.gz LGMIXOOVTWCEIK-UHFFFAOYSA-N 1 0 374.872 2.425 50 0 FEAARO O=C1[C@@H]2CCCN2C(=O)N1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000002183632 132382743 /nfs/dbraw/zinc/38/27/43/132382743.db2.gz UOENOYYECINOMP-SFHVURJKSA-N 1 0 374.460 2.155 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000009620618 132846665 /nfs/dbraw/zinc/84/66/65/132846665.db2.gz HYMZHYDEAJCWNZ-UHFFFAOYSA-N 1 0 359.861 2.467 50 0 FEAARO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C[C@@H]1CO ZINC000091636524 542817503 /nfs/dbraw/zinc/81/75/03/542817503.db2.gz IBFKRNQFFWUZOE-HZPDHXFCSA-N 1 0 365.905 2.182 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N(C)Cc2cc(-c3cccnc3)no2)C1 ZINC000091575428 542813628 /nfs/dbraw/zinc/81/36/28/542813628.db2.gz MTMSTSPFIOEETE-MRXNPFEDSA-N 1 0 358.442 2.194 50 0 FEAARO CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091656280 542818100 /nfs/dbraw/zinc/81/81/00/542818100.db2.gz ZZTDRQUJQIKXTO-IBGZPJMESA-N 1 0 369.509 2.335 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cn2cc(C)cn2)C3)cc1 ZINC000091650324 542818142 /nfs/dbraw/zinc/81/81/42/542818142.db2.gz GDYLEZDWFGYAFN-RBUKOAKNSA-N 1 0 368.481 2.323 50 0 FEAARO CCc1ccc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)[nH]1 ZINC000091829215 542827749 /nfs/dbraw/zinc/82/77/49/542827749.db2.gz AGLDJMIGDPQFPY-QGZVFWFLSA-N 1 0 372.513 2.126 50 0 FEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)c1cn2ccsc2n1 ZINC000091950663 542833199 /nfs/dbraw/zinc/83/31/99/542833199.db2.gz IHERWSNLLWFZDA-UHFFFAOYSA-N 1 0 350.513 2.486 50 0 FEAARO C[NH+](C)C[C@H]1C[C@@H](CO)CN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000091943758 542833579 /nfs/dbraw/zinc/83/35/79/542833579.db2.gz WIDGGKBOFZCFIS-IAGOWNOFSA-N 1 0 373.522 2.366 50 0 FEAARO COCC[C@@]1(CO)CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000091951542 542833704 /nfs/dbraw/zinc/83/37/04/542833704.db2.gz RTOJLZBAVOZAJD-IBGZPJMESA-N 1 0 350.459 2.127 50 0 FEAARO [NH3+][C@@H]1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 ZINC000092003536 542836653 /nfs/dbraw/zinc/83/66/53/542836653.db2.gz BSUVINRFIOJEQS-SECBINFHSA-N 1 0 367.236 2.253 50 0 FEAARO C/C=C(\C)C[N@@H+]1C[C@H](NC(=O)CN2CCCC2=O)[C@@H](c2ccc(C)o2)C1 ZINC000092028879 542839626 /nfs/dbraw/zinc/83/96/26/542839626.db2.gz FONIIQHTDCOITB-UFUBCTGOSA-N 1 0 359.470 2.061 50 0 FEAARO CC[C@@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)[NH+]1CCCC1 ZINC000092066374 542843244 /nfs/dbraw/zinc/84/32/44/542843244.db2.gz YROWQRJRXUCCEN-KRWDZBQOSA-N 1 0 356.470 2.286 50 0 FEAARO NC(=O)CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000092660701 542879549 /nfs/dbraw/zinc/87/95/49/542879549.db2.gz DUFOIEYSSYRKAN-CQSZACIVSA-N 1 0 370.453 2.325 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)[NH+](C)C)cc1 ZINC000058193679 136130888 /nfs/dbraw/zinc/13/08/88/136130888.db2.gz FRJKXSKPWMLRDG-RTBURBONSA-N 1 0 367.497 2.421 50 0 FEAARO COc1c[nH]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1=O ZINC000095372431 542963100 /nfs/dbraw/zinc/96/31/00/542963100.db2.gz PHCSVNMTFVRSND-PKOBYXMFSA-N 1 0 353.466 2.480 50 0 FEAARO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)N1CCCc2ccccc21 ZINC000071774609 136140956 /nfs/dbraw/zinc/14/09/56/136140956.db2.gz BIVNAOGWNNRYGB-UHFFFAOYSA-N 1 0 355.482 2.443 50 0 FEAARO Cn1ncc2c1nc(-c1ccncc1)nc2N1CCC([NH+]2CCCC2)CC1 ZINC000072129680 136142072 /nfs/dbraw/zinc/14/20/72/136142072.db2.gz DSLKZFBUYXXYDA-UHFFFAOYSA-N 1 0 363.469 2.490 50 0 FEAARO C[N@@H+]1CCN(C(=O)c2csc3c2CCCC3)C[C@]12CCNC(=O)CC2 ZINC000095374968 542963900 /nfs/dbraw/zinc/96/39/00/542963900.db2.gz HQBADTTYTQRLPM-IBGZPJMESA-N 1 0 361.511 2.053 50 0 FEAARO OCCOc1cccc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)c1 ZINC000072436060 136147339 /nfs/dbraw/zinc/14/73/39/136147339.db2.gz JBUIGZVIIHFNJK-UHFFFAOYSA-N 1 0 368.481 2.483 50 0 FEAARO CC(C)Cc1noc([C@H]2CCCN(c3ncnc4c3CC[NH2+]CC4)C2)n1 ZINC000072473388 136149041 /nfs/dbraw/zinc/14/90/41/136149041.db2.gz QBCFSSHKEGZVHG-AWEZNQCLSA-N 1 0 356.474 2.130 50 0 FEAARO CC(=O)N1CCN(c2ncccc2C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000019224641 136152237 /nfs/dbraw/zinc/15/22/37/136152237.db2.gz NSAQRQNLCWVSKI-UHFFFAOYSA-N 1 0 350.466 2.007 50 0 FEAARO O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095352548 542957666 /nfs/dbraw/zinc/95/76/66/542957666.db2.gz UAQOMLBERPLHNV-QGZVFWFLSA-N 1 0 365.437 2.389 50 0 FEAARO COc1cc(N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000095355262 542958014 /nfs/dbraw/zinc/95/80/14/542958014.db2.gz ZICZWUZUOZHETO-PWIZWCRZSA-N 1 0 352.438 2.257 50 0 FEAARO CCN1CC[C@@]2(CN(Cc3ccc(-c4cc[nH]n4)o3)CC[N@@H+]2C)CCC1=O ZINC000095356259 542958194 /nfs/dbraw/zinc/95/81/94/542958194.db2.gz XPYQVOXTSKCHBV-HXUWFJFHSA-N 1 0 371.485 2.188 50 0 FEAARO CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC000095357342 542959280 /nfs/dbraw/zinc/95/92/80/542959280.db2.gz KZTSHUHPTZIRCL-SFHVURJKSA-N 1 0 355.482 2.089 50 0 FEAARO Cc1nc(C2CC2)ncc1C(=O)N1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000095360729 542959808 /nfs/dbraw/zinc/95/98/08/542959808.db2.gz BHOHHQSPYLRCRK-INIZCTEOSA-N 1 0 371.529 2.151 50 0 FEAARO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(OCCO)c2)C1 ZINC000095360216 542960228 /nfs/dbraw/zinc/96/02/28/542960228.db2.gz QSFWMQFQFUUIKR-IEBWSBKVSA-N 1 0 358.482 2.281 50 0 FEAARO [NH3+]CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000095364705 542960706 /nfs/dbraw/zinc/96/07/06/542960706.db2.gz IHGROQCJDBDVRL-GOSISDBHSA-N 1 0 355.482 2.123 50 0 FEAARO O=C(c1cnc2ccccn2c1=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095385030 542966031 /nfs/dbraw/zinc/96/60/31/542966031.db2.gz DMGNYQYHOAZMIL-IAGOWNOFSA-N 1 0 366.465 2.031 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000095478864 542973247 /nfs/dbraw/zinc/97/32/47/542973247.db2.gz TYLLTWLVJJKBNN-HNNXBMFYSA-N 1 0 356.470 2.120 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)C(=O)c2ccccc2)C1 ZINC000095510507 542976893 /nfs/dbraw/zinc/97/68/93/542976893.db2.gz GEGSRTZMIPCMBN-QGZVFWFLSA-N 1 0 354.454 2.034 50 0 FEAARO C[NH+](C)CCCC(=O)N1CCC(c2nccn2Cc2ccncc2)CC1 ZINC000095509114 542977239 /nfs/dbraw/zinc/97/72/39/542977239.db2.gz BOZCCRKCNVXTTA-UHFFFAOYSA-N 1 0 355.486 2.374 50 0 FEAARO C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)C1(N2CCOCC2)CCCC1 ZINC000095941428 542983691 /nfs/dbraw/zinc/98/36/91/542983691.db2.gz BCQBYCYJRYPZTQ-MRXNPFEDSA-N 1 0 363.477 2.065 50 0 FEAARO Cn1nc(CO)c2c1CCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000095522423 542979622 /nfs/dbraw/zinc/97/96/22/542979622.db2.gz LBAREAFDDHJTKH-UHFFFAOYSA-N 1 0 368.481 2.097 50 0 FEAARO Cc1nccn1CCC(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095526342 542981270 /nfs/dbraw/zinc/98/12/70/542981270.db2.gz IJMYXIAXVVPZOQ-GOSISDBHSA-N 1 0 372.517 2.136 50 0 FEAARO O=S(=O)(NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1Cl ZINC000110797195 543369159 /nfs/dbraw/zinc/36/91/59/543369159.db2.gz SQRSZABLSTWOJT-SECBINFHSA-N 1 0 367.696 2.380 50 0 FEAARO COCCOCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000096139987 222044189 /nfs/dbraw/zinc/04/41/89/222044189.db2.gz IPFSSOFRFXWBSU-IBGZPJMESA-N 1 0 360.498 2.378 50 0 FEAARO C[NH+]1CCC(Cc2nc(-c3cccc(OC(F)F)c3)n(CCO)n2)CC1 ZINC000096154142 222056629 /nfs/dbraw/zinc/05/66/29/222056629.db2.gz SGGJSHOTZCLJPI-UHFFFAOYSA-N 1 0 366.412 2.423 50 0 FEAARO Cc1ccc(NC(=O)NCC[C@@H]2CCC(=O)N2CC[NH+](C)C)cc1F ZINC000096162102 222061462 /nfs/dbraw/zinc/06/14/62/222061462.db2.gz YKLAYZZVTNICQM-HNNXBMFYSA-N 1 0 350.438 2.198 50 0 FEAARO CC[C@H]1CN(C(=O)c2ccc(NCCn3cccn3)nc2)CC[N@@H+]1C(C)C ZINC000096416634 222119771 /nfs/dbraw/zinc/11/97/71/222119771.db2.gz BANWUPDTUJLIAL-SFHVURJKSA-N 1 0 370.501 2.335 50 0 FEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(Br)cc1 ZINC000097230312 222170592 /nfs/dbraw/zinc/17/05/92/222170592.db2.gz DFKLMNPQPLXLDE-LSDHHAIUSA-N 1 0 355.276 2.425 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000097334277 222176223 /nfs/dbraw/zinc/17/62/23/222176223.db2.gz FDOQNENRDZAQDG-IRXDYDNUSA-N 1 0 360.458 2.043 50 0 FEAARO Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000100119028 222235511 /nfs/dbraw/zinc/23/55/11/222235511.db2.gz HNBSRHPXOYJKFH-HXUWFJFHSA-N 1 0 363.461 2.445 50 0 FEAARO O=C(c1ccoc1)N1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000097759149 263431970 /nfs/dbraw/zinc/43/19/70/263431970.db2.gz CPKGHAFZMLBMBP-UHFFFAOYSA-N 1 0 371.437 2.457 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cnn2ccncc12 ZINC000193213379 328362985 /nfs/dbraw/zinc/36/29/85/328362985.db2.gz KTJRSBOBBFNDJY-QGZVFWFLSA-N 1 0 364.453 2.251 50 0 FEAARO Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)cn1 ZINC000267634982 329345501 /nfs/dbraw/zinc/34/55/01/329345501.db2.gz GLLQFYMRTZAFMB-UXHICEINSA-N 1 0 368.481 2.375 50 0 FEAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccn(C)n3)CC2)[nH]n1 ZINC000082107103 519431729 /nfs/dbraw/zinc/43/17/29/519431729.db2.gz XACBEGKDKLBQGK-OAHLLOKOSA-N 1 0 358.490 2.126 50 0 FEAARO CCCN1CCC[C@@]2(CC[N@H+](CC(=O)NCc3ccccc3OC)C2)C1=O ZINC000091476851 519853502 /nfs/dbraw/zinc/85/35/02/519853502.db2.gz ZDVHJMKITTVOPE-NRFANRHFSA-N 1 0 373.497 2.036 50 0 FEAARO CC(C)c1nc(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)cs1 ZINC000244773776 519861461 /nfs/dbraw/zinc/86/14/61/519861461.db2.gz PGFNYFCTTDPFBB-XBXGTLAGSA-N 1 0 362.503 2.273 50 0 FEAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H](O)c3ccccc3)C2=O)cc1 ZINC000019848246 520383553 /nfs/dbraw/zinc/38/35/53/520383553.db2.gz CEVDMHRNDCXSHC-MOPGFXCFSA-N 1 0 368.433 2.431 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2nnc(C)n2C1)c1ccsc1 ZINC000089967770 520836757 /nfs/dbraw/zinc/83/67/57/520836757.db2.gz LLSLCJLTBKDMOH-HOCLYGCPSA-N 1 0 361.515 2.410 50 0 FEAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)SCC[NH+](C)C ZINC000083827750 521864048 /nfs/dbraw/zinc/86/40/48/521864048.db2.gz DDHBRATUCFZOPA-CQSZACIVSA-N 1 0 351.516 2.329 50 0 FEAARO C[C@@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)n1ccnc1 ZINC000091364729 524204798 /nfs/dbraw/zinc/20/47/98/524204798.db2.gz XGNCBWIDKVPWLF-HNNXBMFYSA-N 1 0 356.474 2.105 50 0 FEAARO Cc1cccc(OC[C@H]2CCCN(C(=O)CN(C)C3CC[NH2+]CC3)C2)c1 ZINC000082146305 524765483 /nfs/dbraw/zinc/76/54/83/524765483.db2.gz AZENEJXMQAECKA-SFHVURJKSA-N 1 0 359.514 2.296 50 0 FEAARO Cc1cc(-c2nnc(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)o2)no1 ZINC000020599380 526056352 /nfs/dbraw/zinc/05/63/52/526056352.db2.gz KYPKTLMBUMEBMC-UHFFFAOYSA-N 1 0 373.457 2.443 50 0 FEAARO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020102822 526316851 /nfs/dbraw/zinc/31/68/51/526316851.db2.gz SJYNFRSAZZMONH-UHFFFAOYSA-N 1 0 365.905 2.000 50 0 FEAARO Cn1c(C[N@@H+]2CCC[C@@H](Cn3cc(CCO)nn3)C2)cc2ccccc21 ZINC000020781622 527054082 /nfs/dbraw/zinc/05/40/82/527054082.db2.gz BEDBUWOWDWIWOR-MRXNPFEDSA-N 1 0 353.470 2.217 50 0 FEAARO O=S(=O)(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]cn1 ZINC000015731693 527213354 /nfs/dbraw/zinc/21/33/54/527213354.db2.gz PYEJXPQMCLRGBC-UHFFFAOYSA-N 1 0 368.890 2.254 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 ZINC000178541951 527216696 /nfs/dbraw/zinc/21/66/96/527216696.db2.gz AIRIKKAIDTYWLB-NSHDSACASA-N 1 0 355.360 2.253 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)C1 ZINC000158132339 527346987 /nfs/dbraw/zinc/34/69/87/527346987.db2.gz VBTMIPIFSBWNCC-QGZVFWFLSA-N 1 0 358.463 2.224 50 0 FEAARO OCCOc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020321266 527558307 /nfs/dbraw/zinc/55/83/07/527558307.db2.gz BJPPVWQOHBTAJX-NRFANRHFSA-N 1 0 370.493 2.127 50 0 FEAARO CCc1c(C)nc(C)nc1N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000091964855 536069340 /nfs/dbraw/zinc/06/93/40/536069340.db2.gz PCIKKHFUMGGWNH-FQEVSTJZSA-N 1 0 359.518 2.179 50 0 FEAARO CN(C)c1cc[nH+]cc1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000170595082 546162583 /nfs/dbraw/zinc/16/25/83/546162583.db2.gz XOJXSNHMZUAIRC-UHFFFAOYSA-N 1 0 353.401 2.445 50 0 FEAARO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CN1CCN1CCOCC1 ZINC000172697153 546265178 /nfs/dbraw/zinc/26/51/78/546265178.db2.gz QMTSHSXJXZVLRZ-CQSZACIVSA-N 1 0 372.296 2.016 50 0 FEAARO CC[N@H+](CCNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C1CC1 ZINC000173504116 546282818 /nfs/dbraw/zinc/28/28/18/546282818.db2.gz QCEJVDHIDGQPDJ-UHFFFAOYSA-N 1 0 357.410 2.327 50 0 FEAARO CCC[NH+]1CCC(CNC(=O)N2CCO[C@@H](c3cnn(CC)c3)C2)CC1 ZINC000188121737 548273075 /nfs/dbraw/zinc/27/30/75/548273075.db2.gz ZCYTXGLKVFGFSC-GOSISDBHSA-N 1 0 363.506 2.108 50 0 FEAARO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CCCc3cccnc32)ccn1 ZINC000194789741 548532493 /nfs/dbraw/zinc/53/24/93/548532493.db2.gz NSGBNCPDLYXJEK-QGZVFWFLSA-N 1 0 354.454 2.153 50 0 FEAARO Cc1nn(CCO)cc1C[N@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000215109489 548668324 /nfs/dbraw/zinc/66/83/24/548668324.db2.gz COIZOKDDLGUVLF-INIZCTEOSA-N 1 0 353.470 2.450 50 0 FEAARO COc1ccc(C[NH+]2CCC(c3nccn3C)CC2)cc1Cn1cncn1 ZINC000215034737 548668785 /nfs/dbraw/zinc/66/87/85/548668785.db2.gz LZHOILNCLBSGSG-UHFFFAOYSA-N 1 0 366.469 2.448 50 0 FEAARO CS(=O)(=O)NC1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000215250208 548669280 /nfs/dbraw/zinc/66/92/80/548669280.db2.gz ILLILRMSUYZXJA-UHFFFAOYSA-N 1 0 371.572 2.248 50 0 FEAARO O=C(c1cc2ccccc2[nH]c1=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000215293466 548669578 /nfs/dbraw/zinc/66/95/78/548669578.db2.gz OXMQHJONSBYHAQ-KRWDZBQOSA-N 1 0 369.465 2.245 50 0 FEAARO CN1CCN(C(=O)CN2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673416 /nfs/dbraw/zinc/67/34/16/548673416.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 1 0 365.477 2.396 50 0 FEAARO O=C(C[C@@H]1C[NH2+]CCO1)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000215768976 548674559 /nfs/dbraw/zinc/67/45/59/548674559.db2.gz CSTYVTPJOARKSH-UYSNPLJNSA-N 1 0 356.470 2.331 50 0 FEAARO Cc1cc(C)n(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c(=O)n1 ZINC000219096044 548692641 /nfs/dbraw/zinc/69/26/41/548692641.db2.gz IGOQPDTZFCGASG-IBGZPJMESA-N 1 0 368.481 2.204 50 0 FEAARO CN(C)c1ccc(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000219334778 548693956 /nfs/dbraw/zinc/69/39/56/548693956.db2.gz ICMWIGFRIYGIQP-UHFFFAOYSA-N 1 0 352.482 2.471 50 0 FEAARO COCCn1cncc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219570338 548694793 /nfs/dbraw/zinc/69/47/93/548694793.db2.gz IOTGFJNCRZYABX-IBGZPJMESA-N 1 0 356.470 2.200 50 0 FEAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCCN(Cc1ccncc1Cl)C2 ZINC000221265370 548703797 /nfs/dbraw/zinc/70/37/97/548703797.db2.gz AFCVAXDDEJEFCK-SFHVURJKSA-N 1 0 372.860 2.153 50 0 FEAARO CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1ccnc1-c1ccccc1)C2 ZINC000221245229 548703825 /nfs/dbraw/zinc/70/38/25/548703825.db2.gz BSXYWWXFEGIICB-GOSISDBHSA-N 1 0 365.437 2.232 50 0 FEAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC(C[NH3+])CC1 ZINC000236690221 548772809 /nfs/dbraw/zinc/77/28/09/548772809.db2.gz UUJNNVMRPIGUJU-MRXNPFEDSA-N 1 0 351.878 2.292 50 0 FEAARO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000236861908 548784541 /nfs/dbraw/zinc/78/45/41/548784541.db2.gz NOWIKIKKLABOSI-AWEZNQCLSA-N 1 0 356.488 2.104 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000237427378 548825643 /nfs/dbraw/zinc/82/56/43/548825643.db2.gz CKMCKAURCJGCFV-UWVGGRQHSA-N 1 0 365.268 2.336 50 0 FEAARO C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000237626915 548841079 /nfs/dbraw/zinc/84/10/79/548841079.db2.gz JSHOLPYHSWVLQB-LJCCNALRSA-N 1 0 359.514 2.495 50 0 FEAARO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000238095586 548877519 /nfs/dbraw/zinc/87/75/19/548877519.db2.gz ORTOJBOISZTMAM-BLLLJJGKSA-N 1 0 373.280 2.224 50 0 FEAARO O=C(COc1ccc(F)c(Cl)c1)N[C@@H]([C@H]1C[C@H](O)C1)C1CC[NH2+]CC1 ZINC000240824938 548884810 /nfs/dbraw/zinc/88/48/10/548884810.db2.gz QMIQHCHQIIQDGM-SNUQEOBHSA-N 1 0 370.852 2.113 50 0 FEAARO C[C@@H](CCC(=O)NCc1nc(C2CCCCC2)no1)[NH+]1CCN(C)CC1 ZINC000244647038 548891648 /nfs/dbraw/zinc/89/16/48/548891648.db2.gz GTXKWIRLLRTLAE-HNNXBMFYSA-N 1 0 363.506 2.150 50 0 FEAARO Cc1csc(NC(=O)[C@H](C)N2CCC([NH+]3CCSCC3)CC2)n1 ZINC000244678437 548893040 /nfs/dbraw/zinc/89/30/40/548893040.db2.gz ICOWTSRXNSEXDT-ZDUSSCGKSA-N 1 0 354.545 2.292 50 0 FEAARO CC(C)[N@@H+]1CCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000244873438 548897874 /nfs/dbraw/zinc/89/78/74/548897874.db2.gz WQJYKNYNFFKBET-HXUWFJFHSA-N 1 0 359.514 2.220 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)[C@H]1c1ccccc1 ZINC000247974263 549396316 /nfs/dbraw/zinc/39/63/16/549396316.db2.gz GBXJTYPIMXXRRX-BYNSBNAKSA-N 1 0 369.387 2.005 50 0 FEAARO [NH3+]Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)c1 ZINC000252484541 549668093 /nfs/dbraw/zinc/66/80/93/549668093.db2.gz FYXBMSNWNVBRQK-HXUWFJFHSA-N 1 0 365.477 2.499 50 0 FEAARO O=C(C[NH+]1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1)N1CCOCC1 ZINC000252484403 549668131 /nfs/dbraw/zinc/66/81/31/549668131.db2.gz FVKOWWYRLAWERL-UHFFFAOYSA-N 1 0 368.481 2.039 50 0 FEAARO CCOc1ccc(Cl)cc1CN(C)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000252490440 549668765 /nfs/dbraw/zinc/66/87/65/549668765.db2.gz KTLGWFDEGXDZFR-MRXNPFEDSA-N 1 0 353.894 2.333 50 0 FEAARO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000253394258 549685548 /nfs/dbraw/zinc/68/55/48/549685548.db2.gz APKYRFYTMVMISX-ZLKJLUDKSA-N 1 0 368.275 2.280 50 0 FEAARO COC(=O)c1cn(-c2cccc(C[NH+]3CCCCC3)c2)cc2c(=O)[nH]nc1-2 ZINC000253412584 549687248 /nfs/dbraw/zinc/68/72/48/549687248.db2.gz RKXOKWZTTXUGCP-UHFFFAOYSA-N 1 0 366.421 2.438 50 0 FEAARO Cc1noc([C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@H]2CO)n1 ZINC000253411121 549687357 /nfs/dbraw/zinc/68/73/57/549687357.db2.gz OFURXHJWPUIZSL-QWHCGFSZSA-N 1 0 357.332 2.485 50 0 FEAARO O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000253420364 549688564 /nfs/dbraw/zinc/68/85/64/549688564.db2.gz SRMAXXNFYLAIKD-UHFFFAOYSA-N 1 0 366.767 2.428 50 0 FEAARO O=C(N[C@H]1C[C@@H](c2cc(=O)[nH]cn2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000253535220 549690155 /nfs/dbraw/zinc/69/01/55/549690155.db2.gz HYYWLQYISGOMIJ-CALCHBBNSA-N 1 0 352.438 2.454 50 0 FEAARO Cc1ccc(NC(=O)N2CC[C@H](c3nnc4n3CC[N@@H+](C)CC4)C2)c(C)c1 ZINC000257188216 549713687 /nfs/dbraw/zinc/71/36/87/549713687.db2.gz MNLPMZGRMDEPAA-INIZCTEOSA-N 1 0 368.485 2.404 50 0 FEAARO CC(C)[C@H](C)NC(=O)c1nn(CCOc2ccccc2)c2c1C[NH2+]CC2 ZINC000257183790 549713790 /nfs/dbraw/zinc/71/37/90/549713790.db2.gz HYXIHSIJKLPYOG-HNNXBMFYSA-N 1 0 356.470 2.382 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc2c1ccn2CCOC ZINC000263587216 549911188 /nfs/dbraw/zinc/91/11/88/549911188.db2.gz DOBKVFCQQFDYQJ-INIZCTEOSA-N 1 0 359.470 2.267 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000269232722 550170347 /nfs/dbraw/zinc/17/03/47/550170347.db2.gz DYVOQFUIRPLUNB-AGIUHOORSA-N 1 0 360.376 2.031 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)CCOc2ccc(Br)cc2F)C1 ZINC000299739522 553609822 /nfs/dbraw/zinc/60/98/22/553609822.db2.gz PQOKGKKQCFKAEY-LLVKDONJSA-N 1 0 359.239 2.425 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000299754460 553610302 /nfs/dbraw/zinc/61/03/02/553610302.db2.gz RGKJYGWNNAUGDM-MOPGFXCFSA-N 1 0 368.485 2.058 50 0 FEAARO O=C(NC[C@@H](O)C[NH+]1CCCCCC1)c1cccc(-c2cnccn2)c1 ZINC000299764892 553611651 /nfs/dbraw/zinc/61/16/51/553611651.db2.gz VWXUVILYDVYLFK-GOSISDBHSA-N 1 0 354.454 2.110 50 0 FEAARO CC(C)c1nn(C)cc1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000331917470 554346488 /nfs/dbraw/zinc/34/64/88/554346488.db2.gz ZRGITRDIHUSKHT-IAGOWNOFSA-N 1 0 363.506 2.433 50 0 FEAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000363577241 555140538 /nfs/dbraw/zinc/14/05/38/555140538.db2.gz KMKQJXJHYTXWPW-KRWDZBQOSA-N 1 0 362.474 2.012 50 0 FEAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)cc1OC ZINC000426510378 559736421 /nfs/dbraw/zinc/73/64/21/559736421.db2.gz ZRBVNDRCRNINBA-LSTHTHJFSA-N 1 0 365.470 2.225 50 0 FEAARO CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000426523276 559736838 /nfs/dbraw/zinc/73/68/38/559736838.db2.gz XXXAPSBBFGIAQO-JOCHJYFZSA-N 1 0 371.525 2.410 50 0 FEAARO Cc1ccc(C(=O)N2CCCN(C(=O)C3CCC3)CC2)cc1OCCC[NH3+] ZINC000426533927 559737180 /nfs/dbraw/zinc/73/71/80/559737180.db2.gz YBOOVKMGEBOLHC-UHFFFAOYSA-N 1 0 373.497 2.197 50 0 FEAARO O=C(NCCOc1ccccc1F)N1CCC([NH+]2CCSCC2)CC1 ZINC000426548780 559737555 /nfs/dbraw/zinc/73/75/55/559737555.db2.gz MBCRLUPVXHUHPR-UHFFFAOYSA-N 1 0 367.490 2.427 50 0 FEAARO CCc1cc(CNC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)on1 ZINC000426571560 559738072 /nfs/dbraw/zinc/73/80/72/559738072.db2.gz FCCOKVGFKFADHE-UHFFFAOYSA-N 1 0 357.458 2.438 50 0 FEAARO COc1ccc(Cn2nc(C)cc2NC(=O)N2CC[C@@H](C[NH3+])C2)cc1OC ZINC000426613521 559738990 /nfs/dbraw/zinc/73/89/90/559738990.db2.gz CEDIJUIMNRQIHC-HNNXBMFYSA-N 1 0 373.457 2.070 50 0 FEAARO CO[C@]12CC[N@H+](Cc3nc4ccccc4nc3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426716804 559740902 /nfs/dbraw/zinc/74/09/02/559740902.db2.gz BSTCVSRSEBTEKF-ORYQWCPZSA-N 1 0 371.481 2.459 50 0 FEAARO CCCc1ccc(OCCNC(=O)N2CC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000534585953 562537374 /nfs/dbraw/zinc/53/73/74/562537374.db2.gz LUBSSWKZQQABMA-IBGZPJMESA-N 1 0 374.529 2.049 50 0 FEAARO CCc1cccc(OC2CN(C(=O)NC[C@@H](CC)N3CC[NH+](C)CC3)C2)c1 ZINC000534630875 562538628 /nfs/dbraw/zinc/53/86/28/562538628.db2.gz YRPMQBQSKQOFMA-GOSISDBHSA-N 1 0 374.529 2.048 50 0 FEAARO CCOc1ccc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000534663266 562539832 /nfs/dbraw/zinc/53/98/32/562539832.db2.gz HNKBLFZIWFTMTE-QGZVFWFLSA-N 1 0 352.438 2.463 50 0 FEAARO CCOC(=O)N[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)C(C)C ZINC000047932324 570932323 /nfs/dbraw/zinc/93/23/23/570932323.db2.gz GDESICYVZHYBLM-DLBZAZTESA-N 1 0 365.474 2.185 50 0 FEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(-n2cncn2)nc1 ZINC000048132331 570934902 /nfs/dbraw/zinc/93/49/02/570934902.db2.gz XEEWYOYZJXJASU-HNNXBMFYSA-N 1 0 367.413 2.214 50 0 FEAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1COc2ccccc2O1 ZINC000083851055 571053162 /nfs/dbraw/zinc/05/31/62/571053162.db2.gz AOFBKWHFZLVZQX-IBGZPJMESA-N 1 0 356.422 2.122 50 0 FEAARO C[NH+]1CCC(CCC(=O)N[C@@H](c2nnc(N)s2)c2ccccc2)CC1 ZINC000426411539 571136775 /nfs/dbraw/zinc/13/67/75/571136775.db2.gz RYLDMFFJYMBNFP-MRXNPFEDSA-N 1 0 359.499 2.448 50 0 FEAARO Cc1ncsc1CCCNC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000426361670 571215528 /nfs/dbraw/zinc/21/55/28/571215528.db2.gz IAESYQZQNWPKDO-MRXNPFEDSA-N 1 0 366.531 2.280 50 0 FEAARO Cc1nc(CSc2nnc(CC[NH3+])n2-c2ccccc2F)cc(=O)[nH]1 ZINC000426438919 571225296 /nfs/dbraw/zinc/22/52/96/571225296.db2.gz ROENKXFRTOTCMV-UHFFFAOYSA-N 1 0 360.418 2.004 50 0 FEAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000426444729 571225930 /nfs/dbraw/zinc/22/59/30/571225930.db2.gz VXKWBFLSSUOMTE-HNNXBMFYSA-N 1 0 371.485 2.030 50 0 FEAARO Nc1cc[nH+]cc1-c1cccc(C(=O)NCC2(CN3CCOCC3)CC2)c1 ZINC000426477881 571227388 /nfs/dbraw/zinc/22/73/88/571227388.db2.gz IRKXNOLCYPNMNI-UHFFFAOYSA-N 1 0 366.465 2.003 50 0 FEAARO Cc1ccc(CN2CCN(C(=O)NC[C@@H](C)[NH+]3CCCCC3)CC2=O)cc1 ZINC000584885489 571313689 /nfs/dbraw/zinc/31/36/89/571313689.db2.gz IDESVPUCSQPWEB-GOSISDBHSA-N 1 0 372.513 2.223 50 0 FEAARO C[C@H](CNC(=O)N(C)Cc1cccc2cnccc21)N1CC[NH+](C)CC1 ZINC000584891037 571314499 /nfs/dbraw/zinc/31/44/99/571314499.db2.gz FUFCPCLHCPBSDY-MRXNPFEDSA-N 1 0 355.486 2.012 50 0 FEAARO CSc1ncc(CNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)n1C ZINC000584891469 571314661 /nfs/dbraw/zinc/31/46/61/571314661.db2.gz FLWAMROJVLXJMT-UHFFFAOYSA-N 1 0 374.514 2.267 50 0 FEAARO CCCN(Cc1cccc(OC)c1)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000584898307 571315718 /nfs/dbraw/zinc/31/57/18/571315718.db2.gz DOHQKSWPAXKDIO-KRWDZBQOSA-N 1 0 362.518 2.253 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(F)cn3)n2)C1 ZINC000585101673 571320585 /nfs/dbraw/zinc/32/05/85/571320585.db2.gz MLQBGUBCLVPXON-ZDUSSCGKSA-N 1 0 360.437 2.648 50 0 FEAARO O=C(CCC(F)(F)F)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670439372 571348146 /nfs/dbraw/zinc/34/81/46/571348146.db2.gz XDKHZAVJVGJICH-ZCDVPAHGSA-N 1 0 367.415 2.013 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1nnc2n1CCCCC2 ZINC000670444933 571350410 /nfs/dbraw/zinc/35/04/10/571350410.db2.gz YAVBJWZIWOSMEM-AWEZNQCLSA-N 1 0 359.499 2.460 50 0 FEAARO COc1cc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)ccc1S(C)(=O)=O ZINC000089578929 670703202 /nfs/dbraw/zinc/70/32/02/670703202.db2.gz HJEZHNYBRMLOEY-LBPRGKRZSA-N 1 0 367.471 2.498 50 0 FEAARO CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccc(Cl)c1F)CC2 ZINC000169751615 672321582 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FEAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1cccc2nsnc21 ZINC000002926029 539356896 /nfs/dbraw/zinc/35/68/96/539356896.db2.gz JADKOGDDZJIDNG-UHFFFAOYSA-N 1 0 354.501 2.236 50 0 FEAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc3c2OCCO3)C1 ZINC000171075839 210175766 /nfs/dbraw/zinc/17/57/66/210175766.db2.gz LAPKZRCQQOJYOK-CQSZACIVSA-N 1 0 368.499 2.247 50 0 FEAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccco2)CC1 ZINC000004711685 539390409 /nfs/dbraw/zinc/39/04/09/539390409.db2.gz AZQRRDIBWOMNRM-UHFFFAOYSA-N 1 0 357.410 2.460 50 0 FEAARO O=S(=O)(N[C@H]1CCCC[C@@H]1[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000006809592 539438236 /nfs/dbraw/zinc/43/82/36/539438236.db2.gz HTCDBGQRFYGWGB-IRXDYDNUSA-N 1 0 372.918 2.386 50 0 FEAARO O=C(CSc1nnnn1C1CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009218534 539498615 /nfs/dbraw/zinc/49/86/15/539498615.db2.gz HLWUQKVDHWUGMR-UHFFFAOYSA-N 1 0 358.471 2.335 50 0 FEAARO CCS(=O)(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000010112052 539512759 /nfs/dbraw/zinc/51/27/59/539512759.db2.gz UWWBWJTZFNYXEO-UHFFFAOYSA-N 1 0 353.488 2.054 50 0 FEAARO CC(C)[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000010436306 539517119 /nfs/dbraw/zinc/51/71/19/539517119.db2.gz OOJOSZMJXQYTRX-HXUWFJFHSA-N 1 0 369.465 2.487 50 0 FEAARO CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)CC1 ZINC000012307937 539553764 /nfs/dbraw/zinc/55/37/64/539553764.db2.gz MGEAAKBNQBVUFH-UHFFFAOYSA-N 1 0 367.497 2.370 50 0 FEAARO CN1CC[C@@H]([N@H+](C)CCC(=O)N(Cc2ccco2)Cc2ccccn2)C1 ZINC000299798441 210038635 /nfs/dbraw/zinc/03/86/35/210038635.db2.gz SCXIOPHJLHVBEF-GOSISDBHSA-N 1 0 356.470 2.229 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)Cc3nonc3C)O2)CC1 ZINC000299797511 210037164 /nfs/dbraw/zinc/03/71/64/210037164.db2.gz NDNINKALUUZGLH-INIZCTEOSA-N 1 0 362.474 2.017 50 0 FEAARO Cc1nc(C)c(CC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(=O)[nH]1 ZINC000299792173 210032566 /nfs/dbraw/zinc/03/25/66/210032566.db2.gz DKGGJNXDNXRTRI-GOSISDBHSA-N 1 0 368.481 2.370 50 0 FEAARO NC(=O)C1CC[NH+](CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000299786424 210028367 /nfs/dbraw/zinc/02/83/67/210028367.db2.gz KKEZVRLYVIDUPX-UHFFFAOYSA-N 1 0 363.889 2.423 50 0 FEAARO Cc1[nH+]c(CN2CCn3nc(CNc4ncccn4)cc3C2)c2ccccn12 ZINC000299784028 210026954 /nfs/dbraw/zinc/02/69/54/210026954.db2.gz WFBLMKCVLBXFPJ-UHFFFAOYSA-N 1 0 374.452 2.257 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299780791 210025133 /nfs/dbraw/zinc/02/51/33/210025133.db2.gz CUVAPXKISBTEBO-QGZVFWFLSA-N 1 0 356.470 2.115 50 0 FEAARO COc1ccccc1-c1cccc(C(=O)N2CCN3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000299782281 210025169 /nfs/dbraw/zinc/02/51/69/210025169.db2.gz MKQOFWADMFUMTD-LJQANCHMSA-N 1 0 365.477 2.434 50 0 FEAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012583975 539567009 /nfs/dbraw/zinc/56/70/09/539567009.db2.gz HLGJXSSOPVFZKO-IBGZPJMESA-N 1 0 370.497 2.353 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cnc(N)nc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299778123 210023288 /nfs/dbraw/zinc/02/32/88/210023288.db2.gz LVFCLZAQNSIJNB-JTDSTZFVSA-N 1 0 355.442 2.045 50 0 FEAARO Cn1nc(C(C)(C)C)cc1NC(=O)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299768812 210017708 /nfs/dbraw/zinc/01/77/08/210017708.db2.gz MLNDGFMRYCUFDR-OAHLLOKOSA-N 1 0 363.506 2.436 50 0 FEAARO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCCCCCC2)C1=O ZINC000012679162 539570029 /nfs/dbraw/zinc/57/00/29/539570029.db2.gz AMBNTKSUBAWEGU-FQEVSTJZSA-N 1 0 372.469 2.141 50 0 FEAARO CC(C)[C@@H]([NH2+]CC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccccc1 ZINC000012996970 539581349 /nfs/dbraw/zinc/58/13/49/539581349.db2.gz MRXTZQNNSRIZHA-AZUAARDMSA-N 1 0 367.449 2.253 50 0 FEAARO O=C(Nc1ccc2n[nH]nc2c1)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299760023 210010738 /nfs/dbraw/zinc/01/07/38/210010738.db2.gz TXFWAWAZVZTWKF-OAHLLOKOSA-N 1 0 366.425 2.450 50 0 FEAARO COCC(=O)NCc1cc2n(n1)CC[N@H+](CC[C@H](C)c1ccc(C)o1)C2 ZINC000299756285 210009313 /nfs/dbraw/zinc/00/93/13/210009313.db2.gz KYHCDFWPLXOWSR-AWEZNQCLSA-N 1 0 360.458 2.057 50 0 FEAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1C[C@H]1COc2ccccc2O1 ZINC000299756914 210009169 /nfs/dbraw/zinc/00/91/69/210009169.db2.gz KBALBNKOLYIZFF-ROUUACIJSA-N 1 0 367.449 2.392 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000014109941 539594998 /nfs/dbraw/zinc/59/49/98/539594998.db2.gz PROPNIBPAUNZSS-UHFFFAOYSA-N 1 0 364.449 2.234 50 0 FEAARO CCOC(=O)c1noc2ncnc(N3CC[NH+](C4CCCCC4)CC3)c12 ZINC000020992226 539679246 /nfs/dbraw/zinc/67/92/46/539679246.db2.gz OOBPVPZISOGIMM-UHFFFAOYSA-N 1 0 359.430 2.249 50 0 FEAARO O=S(=O)(Cc1ccccc1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000023000204 539704407 /nfs/dbraw/zinc/70/44/07/539704407.db2.gz JWNBZFKGJJYUTG-UHFFFAOYSA-N 1 0 359.495 2.413 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3c(F)cccc3F)CC2)[nH+]1 ZINC000024023180 539724150 /nfs/dbraw/zinc/72/41/50/539724150.db2.gz ZQIMSHMSRDQPLX-UHFFFAOYSA-N 1 0 361.396 2.092 50 0 FEAARO Cc1noc(C)c1CO[C@@H]1COCC[C@H]1[NH2+]C1CSCCSC1 ZINC000223946944 222801417 /nfs/dbraw/zinc/80/14/17/222801417.db2.gz UBKAALLXYPLMKR-HZPDHXFCSA-N 1 0 358.529 2.404 50 0 FEAARO O=C(NCCNC(=O)c1cccnc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000032364774 539935867 /nfs/dbraw/zinc/93/58/67/539935867.db2.gz SVMVKHSDQVKLKF-UHFFFAOYSA-N 1 0 366.465 2.227 50 0 FEAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccccc1 ZINC000032511659 539942863 /nfs/dbraw/zinc/94/28/63/539942863.db2.gz NCYJBHJUBWTMOZ-HKUYNNGSSA-N 1 0 359.420 2.444 50 0 FEAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc(C)cc3)on2)CC1 ZINC000032594120 539944466 /nfs/dbraw/zinc/94/44/66/539944466.db2.gz CUBRYZPSRYXIPW-INIZCTEOSA-N 1 0 356.470 2.406 50 0 FEAARO O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032732053 539950317 /nfs/dbraw/zinc/95/03/17/539950317.db2.gz YTMBOOYJFKAMDL-GOSISDBHSA-N 1 0 371.868 2.461 50 0 FEAARO Cc1c(C(=O)NCC[N@@H+](C)Cc2ccccc2)sc2[nH]cnc(=O)c12 ZINC000033073370 539966306 /nfs/dbraw/zinc/96/63/06/539966306.db2.gz RVKGQFUOBONZOQ-UHFFFAOYSA-N 1 0 356.451 2.155 50 0 FEAARO COc1ccc(C[N@H+](C[C@H](O)COC(C)C)C[C@@H]2CCCO2)cc1OC ZINC000036096057 539987355 /nfs/dbraw/zinc/98/73/55/539987355.db2.gz SNPSRDWCJOSWNY-ROUUACIJSA-N 1 0 367.486 2.471 50 0 FEAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000040047511 540004382 /nfs/dbraw/zinc/00/43/82/540004382.db2.gz GUSYQCLTSIUOKP-KRWDZBQOSA-N 1 0 356.470 2.374 50 0 FEAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040356005 540009668 /nfs/dbraw/zinc/00/96/68/540009668.db2.gz IOAZBCZHVOFVFM-UHFFFAOYSA-N 1 0 350.419 2.216 50 0 FEAARO O=C(CCN1Cc2ccccc2C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230205351 222901923 /nfs/dbraw/zinc/90/19/23/222901923.db2.gz HJNYMOMIINEGJR-APWZRJJASA-N 1 0 355.482 2.413 50 0 FEAARO COc1ccccc1[C@@H]1CCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237243924 222905659 /nfs/dbraw/zinc/90/56/59/222905659.db2.gz FGLBQWMGTSFQCR-KRWDZBQOSA-N 1 0 369.469 2.497 50 0 FEAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1 ZINC000237265437 222906518 /nfs/dbraw/zinc/90/65/18/222906518.db2.gz PLYRMSPNPILNPF-MRXNPFEDSA-N 1 0 353.422 2.402 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000237426896 222907226 /nfs/dbraw/zinc/90/72/26/222907226.db2.gz XWECMAMLCBWCFA-AAEUAGOBSA-N 1 0 361.305 2.338 50 0 FEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000237479657 222908746 /nfs/dbraw/zinc/90/87/46/222908746.db2.gz WOXQFPNKKUOUQA-WDEREUQCSA-N 1 0 352.378 2.333 50 0 FEAARO COCCn1c(CNCc2cccc(Cl)c2C)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000243932532 222925263 /nfs/dbraw/zinc/92/52/63/222925263.db2.gz BXBZZYFKELPTTB-GASCZTMLSA-N 1 0 363.893 2.381 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21c2cc(C)ccc2NC1=O ZINC000043730383 540108110 /nfs/dbraw/zinc/10/81/10/540108110.db2.gz OJJVXOQKRGGSGH-ZGPJWRFFSA-N 1 0 369.465 2.172 50 0 FEAARO O=C(c1ccoc1)N1CCC(C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000045086348 540203630 /nfs/dbraw/zinc/20/36/30/540203630.db2.gz BUVMSHYKDVEEOM-UHFFFAOYSA-N 1 0 359.470 2.219 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccsc1 ZINC000045496040 540215694 /nfs/dbraw/zinc/21/56/94/540215694.db2.gz JDYBXYFHBPFJNH-GOEBONIOSA-N 1 0 361.467 2.109 50 0 FEAARO COc1ccc(NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000045845966 540230777 /nfs/dbraw/zinc/23/07/77/540230777.db2.gz ZRCGLGKVZZZXII-UHFFFAOYSA-N 1 0 355.442 2.164 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1I)C1CC1 ZINC000047920986 540334640 /nfs/dbraw/zinc/33/46/40/540334640.db2.gz OETWQQAZFAOSLK-CYBMUJFWSA-N 1 0 358.223 2.361 50 0 FEAARO CNC(=O)c1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000050029792 540397350 /nfs/dbraw/zinc/39/73/50/540397350.db2.gz XQKPZMSHUWATBA-LJQANCHMSA-N 1 0 351.450 2.327 50 0 FEAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCc2ccncc2)CC1 ZINC000052877513 540497205 /nfs/dbraw/zinc/49/72/05/540497205.db2.gz PHGUROWKSHDXJH-UHFFFAOYSA-N 1 0 366.509 2.468 50 0 FEAARO COC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000055065515 540625362 /nfs/dbraw/zinc/62/53/62/540625362.db2.gz GKARZXJQIAYBQK-GOSISDBHSA-N 1 0 373.453 2.399 50 0 FEAARO C[C@@H]1C[N@@H+](Cc2ccccc2NCC(=O)NCC(F)(F)F)C[C@H](C)O1 ZINC000055869919 540683082 /nfs/dbraw/zinc/68/30/82/540683082.db2.gz YXYSJSRRAMGIAV-BETUJISGSA-N 1 0 359.392 2.386 50 0 FEAARO Cn1ncc2c1CCC[C@@H]2NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058171687 540831641 /nfs/dbraw/zinc/83/16/41/540831641.db2.gz IPIKPFMPTMYVFL-SFHVURJKSA-N 1 0 368.485 2.156 50 0 FEAARO O=C([C@H]1Cc2cc(Cl)ccc2N1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072143601 541787305 /nfs/dbraw/zinc/78/73/05/541787305.db2.gz MMHGLZJVLXNKQE-GOSISDBHSA-N 1 0 363.889 2.124 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3nonc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072146083 541788468 /nfs/dbraw/zinc/78/84/68/541788468.db2.gz AOGWGBAVKJHQMZ-BHIYHBOVSA-N 1 0 368.437 2.089 50 0 FEAARO COc1ccc(OC)c([C@@H]2CCN(Cc3cc4n(n3)CCC[NH2+]C4)C2)c1 ZINC000072144984 541788017 /nfs/dbraw/zinc/78/80/17/541788017.db2.gz SXTAYMOICORYBS-OAHLLOKOSA-N 1 0 356.470 2.383 50 0 FEAARO Cc1cc(C)c2[nH]c(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)cc(=O)c2c1 ZINC000072153174 541790741 /nfs/dbraw/zinc/79/07/41/541790741.db2.gz NKJMCDJEUGCZOV-SFHVURJKSA-N 1 0 355.482 2.442 50 0 FEAARO COC(=O)COc1ccc(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000072163805 541793138 /nfs/dbraw/zinc/79/31/38/541793138.db2.gz VPGNOLYJEDUCCR-HNNXBMFYSA-N 1 0 362.470 2.306 50 0 FEAARO Cc1cc(F)cc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(N)=O)C3=O)c1 ZINC000072167831 541794923 /nfs/dbraw/zinc/79/49/23/541794923.db2.gz NQXSIYPIAQJNKE-NRFANRHFSA-N 1 0 367.424 2.110 50 0 FEAARO CC[C@@H](C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000072407176 541805688 /nfs/dbraw/zinc/80/56/88/541805688.db2.gz HMPXTULPPNNOSW-NRFANRHFSA-N 1 0 373.541 2.263 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000072411791 541807381 /nfs/dbraw/zinc/80/73/81/541807381.db2.gz KDOGYGWQJYWSMF-OALUTQOASA-N 1 0 360.498 2.061 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cc(-c3ccccc3O)n[nH]1)CC[NH2+]C2 ZINC000072421691 541809395 /nfs/dbraw/zinc/80/93/95/541809395.db2.gz YDFZJOGXCUKLLC-UHFFFAOYSA-N 1 0 363.421 2.061 50 0 FEAARO c1cn(CCc2nc3c(s2)CCC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072453778 541815976 /nfs/dbraw/zinc/81/59/76/541815976.db2.gz RCFNQNJXLHKSOE-UHFFFAOYSA-N 1 0 354.483 2.428 50 0 FEAARO C[C@H](Cn1cccn1)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058298834 212003504 /nfs/dbraw/zinc/00/35/04/212003504.db2.gz YAMCZMNOHHBNLT-IEBWSBKVSA-N 1 0 355.486 2.483 50 0 FEAARO c1ccc(-n2c(CC3CC[NH2+]CC3)nnc2CN2CCCOCC2)cc1 ZINC000055393359 211947715 /nfs/dbraw/zinc/94/77/15/211947715.db2.gz UQOXMVZFEVZBQY-UHFFFAOYSA-N 1 0 355.486 2.032 50 0 FEAARO C[N@@H+]1CCCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1 ZINC000013323132 220063283 /nfs/dbraw/zinc/06/32/83/220063283.db2.gz PLCVXDSFKRJIGS-UHFFFAOYSA-N 1 0 365.227 2.333 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)C1 ZINC000299740374 211808684 /nfs/dbraw/zinc/80/86/84/211808684.db2.gz YZTJPKPRYZGHTN-CQSZACIVSA-N 1 0 353.422 2.259 50 0 FEAARO O=C(CN1CCc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023640972 211393633 /nfs/dbraw/zinc/39/36/33/211393633.db2.gz WNPJQVUUEFUHTM-UHFFFAOYSA-N 1 0 357.498 2.200 50 0 FEAARO O[C@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1N1CCOCC1 ZINC000022929114 211371590 /nfs/dbraw/zinc/37/15/90/211371590.db2.gz SVRKSFAWTMXOCB-OALUTQOASA-N 1 0 352.434 2.463 50 0 FEAARO Cc1ccc(N2C(=S)N=NC2CCN2CC[NH+](C)CC2)cc1Cl ZINC000022942908 211371024 /nfs/dbraw/zinc/37/10/24/211371024.db2.gz ZYNLEMIFJKHYAD-UHFFFAOYSA-N 1 0 351.907 2.308 50 0 FEAARO Cn1nc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c2ccccc2c1=O ZINC000022754695 211363590 /nfs/dbraw/zinc/36/35/90/211363590.db2.gz JTZORTHRQAHRFE-QGZVFWFLSA-N 1 0 368.412 2.105 50 0 FEAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NC[C@H]1CCCO1 ZINC000022790209 211362259 /nfs/dbraw/zinc/36/22/59/211362259.db2.gz YBJLWLKONFZHPP-HXUWFJFHSA-N 1 0 367.493 2.253 50 0 FEAARO Cn1c2ccccc2n(CCC(=O)NCc2ccccc2C[NH+](C)C)c1=O ZINC000022226598 211342226 /nfs/dbraw/zinc/34/22/26/211342226.db2.gz WESDWCQILVUKDP-UHFFFAOYSA-N 1 0 366.465 2.108 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccccc1C(=O)OC ZINC000021868485 211327818 /nfs/dbraw/zinc/32/78/18/211327818.db2.gz BFRQQMLJBSAUNT-UHFFFAOYSA-N 1 0 372.421 2.140 50 0 FEAARO Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)n1 ZINC000019654498 211243371 /nfs/dbraw/zinc/24/33/71/211243371.db2.gz HEKDVWZYPWMLTI-AWEZNQCLSA-N 1 0 352.442 2.190 50 0 FEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018105550 211192401 /nfs/dbraw/zinc/19/24/01/211192401.db2.gz CUCRVNRGTXEBAR-MRXNPFEDSA-N 1 0 370.405 2.134 50 0 FEAARO CCC[NH+]1CCN(C(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000015770077 211141274 /nfs/dbraw/zinc/14/12/74/211141274.db2.gz ZSIDUFCIEJFQTB-UHFFFAOYSA-N 1 0 373.526 2.462 50 0 FEAARO CC[C@@H](C)C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000014988689 211111496 /nfs/dbraw/zinc/11/14/96/211111496.db2.gz ABLGZZWRNWBPKW-OAHLLOKOSA-N 1 0 373.476 2.294 50 0 FEAARO COCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3CC(C)C)o1 ZINC000014538993 211093876 /nfs/dbraw/zinc/09/38/76/211093876.db2.gz VKRFKDXDRHZBNV-UHFFFAOYSA-N 1 0 363.458 2.311 50 0 FEAARO CC(C)C[N@H+](C)[C@@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014749513 211100926 /nfs/dbraw/zinc/10/09/26/211100926.db2.gz HHASFBLBNIFCMV-MRXNPFEDSA-N 1 0 355.486 2.190 50 0 FEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]Cc1cccs1)C2 ZINC000014750024 211100535 /nfs/dbraw/zinc/10/05/35/211100535.db2.gz SXTQIYZOOATZFS-AWEZNQCLSA-N 1 0 374.510 2.084 50 0 FEAARO CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C[NH2+]C(C)(C)C ZINC000014138332 211076840 /nfs/dbraw/zinc/07/68/40/211076840.db2.gz FKUMSVJLRYRVKN-UHFFFAOYSA-N 1 0 356.444 2.346 50 0 FEAARO COc1cccc(CNCCC[NH2+]CCO)c1OCc1ccc(F)cc1 ZINC000013732848 211054011 /nfs/dbraw/zinc/05/40/11/211054011.db2.gz LVOMRQKHUKJFLN-UHFFFAOYSA-N 1 0 362.445 2.475 50 0 FEAARO Cc1cccc(C(=O)NCCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000012918074 211006617 /nfs/dbraw/zinc/00/66/17/211006617.db2.gz QXLNZTVTPUVSED-FQEVSTJZSA-N 1 0 367.493 2.404 50 0 FEAARO CCOc1ccc(CC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008914263 210807492 /nfs/dbraw/zinc/80/74/92/210807492.db2.gz IDXFJIJKCGFAMK-UHFFFAOYSA-N 1 0 354.454 2.015 50 0 FEAARO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](C4CCOCC4)C3)CCC2=O)cn1 ZINC000077299188 542363216 /nfs/dbraw/zinc/36/32/16/542363216.db2.gz VCTMVPURYAHVCM-FQEVSTJZSA-N 1 0 358.486 2.169 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](CCCOc3ccc(F)cc3)C2)CN1CCO ZINC000077303149 542364148 /nfs/dbraw/zinc/36/41/48/542364148.db2.gz CXXBCTOZYVGVTA-HXUWFJFHSA-N 1 0 364.461 2.292 50 0 FEAARO COc1ccc([C@@H](O)C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000077319422 542366753 /nfs/dbraw/zinc/36/67/53/542366753.db2.gz GSFVRLDSHCXIIT-LJQANCHMSA-N 1 0 355.438 2.171 50 0 FEAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCCC[C@H]1CCO ZINC000002303315 210390712 /nfs/dbraw/zinc/39/07/12/210390712.db2.gz JZLKIKCXUABCET-AWEZNQCLSA-N 1 0 373.453 2.438 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)CC1 ZINC000077485804 542387033 /nfs/dbraw/zinc/38/70/33/542387033.db2.gz VRPSGTRBHRUOOO-KRWDZBQOSA-N 1 0 363.477 2.081 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000078560141 542468181 /nfs/dbraw/zinc/46/81/81/542468181.db2.gz MGBLORUFTGHFJF-GOSISDBHSA-N 1 0 365.543 2.094 50 0 FEAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000065370270 221204672 /nfs/dbraw/zinc/20/46/72/221204672.db2.gz PWLZUEAKBPMWDG-OAHLLOKOSA-N 1 0 350.434 2.164 50 0 FEAARO COc1cc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000065372368 221205645 /nfs/dbraw/zinc/20/56/45/221205645.db2.gz PWLBVOKSTYLEIS-GASCZTMLSA-N 1 0 364.486 2.483 50 0 FEAARO [NH3+]CCc1nc2ccccc2c(N[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000065383590 221207761 /nfs/dbraw/zinc/20/77/61/221207761.db2.gz ZFFIEXXXXANAHH-MRXNPFEDSA-N 1 0 361.449 2.344 50 0 FEAARO Cc1[nH+]c(N(C)C)nc(NC[C@H](c2cccnc2)N2CCOCC2)c1C ZINC000065405370 221213836 /nfs/dbraw/zinc/21/38/36/221213836.db2.gz ZTXOLRBKNBRJSR-QGZVFWFLSA-N 1 0 356.474 2.040 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)CC1 ZINC000065407153 221214696 /nfs/dbraw/zinc/21/46/96/221214696.db2.gz UGVQCTMNCFJMIU-IBGZPJMESA-N 1 0 357.498 2.067 50 0 FEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000066948608 221247668 /nfs/dbraw/zinc/24/76/68/221247668.db2.gz HXJPAUZEQJGWGK-MOPGFXCFSA-N 1 0 357.498 2.020 50 0 FEAARO O[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067458756 221256344 /nfs/dbraw/zinc/25/63/44/221256344.db2.gz DEKABHCUMOWDEO-JKSUJKDBSA-N 1 0 355.390 2.494 50 0 FEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccsc3)CC2)C1 ZINC000067727347 221278123 /nfs/dbraw/zinc/27/81/23/221278123.db2.gz AKLIVWJHGOPUHH-KRWDZBQOSA-N 1 0 365.543 2.187 50 0 FEAARO COc1cccc(CN(C(=O)[C@@H]2C[C@H]([NH3+])CN2C)C2CCCC2)c1OC ZINC000067695135 221274228 /nfs/dbraw/zinc/27/42/28/221274228.db2.gz JRGPOYOOGDYMCC-RDJZCZTQSA-N 1 0 361.486 2.006 50 0 FEAARO CCn1c(=O)n(C)nc1C1CC[NH+](C2CCN(c3ccccc3)CC2)CC1 ZINC000067713535 221274850 /nfs/dbraw/zinc/27/48/50/221274850.db2.gz HZMHDGBNLHEHCO-UHFFFAOYSA-N 1 0 369.513 2.450 50 0 FEAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH+]1CCC(CCO)CC1 ZINC000067805732 221288024 /nfs/dbraw/zinc/28/80/24/221288024.db2.gz HVCFUUFSIZTTAE-QFIPXVFZSA-N 1 0 374.525 2.067 50 0 FEAARO Cc1cc(CNC(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)[nH]n1 ZINC000067755620 221280029 /nfs/dbraw/zinc/28/00/29/221280029.db2.gz SKFYOWVBESZTGN-UHFFFAOYSA-N 1 0 353.426 2.311 50 0 FEAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067757764 221281893 /nfs/dbraw/zinc/28/18/93/221281893.db2.gz HBFVTWOQNDTWTR-GOSISDBHSA-N 1 0 368.481 2.239 50 0 FEAARO Cc1ccc(CN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)C2CC2)s1 ZINC000067756472 221282032 /nfs/dbraw/zinc/28/20/32/221282032.db2.gz HUOLMJCBJALRBU-CQSZACIVSA-N 1 0 359.499 2.452 50 0 FEAARO C[C@@H]([NH3+])C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000067847015 221293931 /nfs/dbraw/zinc/29/39/31/221293931.db2.gz PNGLJVNSHUVFRG-GFCCVEGCSA-N 1 0 374.420 2.177 50 0 FEAARO COc1ccccc1-c1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)[nH]n1 ZINC000067871704 221298268 /nfs/dbraw/zinc/29/82/68/221298268.db2.gz QJYCTEAIRLKLQC-GOSISDBHSA-N 1 0 360.483 2.252 50 0 FEAARO COc1ccccc1-c1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[nH]n1 ZINC000067871702 221298445 /nfs/dbraw/zinc/29/84/45/221298445.db2.gz QJYCTEAIRLKLQC-SFHVURJKSA-N 1 0 360.483 2.252 50 0 FEAARO CC(C)(C[N@@H+]1CCC[C@@H]1c1nc(-c2ccncc2)no1)N1CCOCC1 ZINC000067880967 221299704 /nfs/dbraw/zinc/29/97/04/221299704.db2.gz VKQHILIUOHAWRD-MRXNPFEDSA-N 1 0 357.458 2.379 50 0 FEAARO CC(C)c1nccn1CCCNC(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)nc1 ZINC000067879394 221299984 /nfs/dbraw/zinc/29/99/84/221299984.db2.gz URJYHEBLHUHJIG-INIZCTEOSA-N 1 0 370.501 2.020 50 0 FEAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](CCCO)CC1)c1ccccc1 ZINC000067895525 221302092 /nfs/dbraw/zinc/30/20/92/221302092.db2.gz BSEHTIAFAIBKRM-IBGZPJMESA-N 1 0 372.469 2.229 50 0 FEAARO Cc1cccnc1N1CCN(C(=O)[C@@]23CC[C@@](C)(OC2=O)C3(C)C)CC1 ZINC000067919711 221304027 /nfs/dbraw/zinc/30/40/27/221304027.db2.gz LABCLTJRKAYIIW-UXHICEINSA-N 1 0 357.454 2.161 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(N3CCOC(C)(C)C3)nc2)C1 ZINC000067909229 221304366 /nfs/dbraw/zinc/30/43/66/221304366.db2.gz WKEPCLPNLKZLDD-QGZVFWFLSA-N 1 0 374.529 2.405 50 0 FEAARO O=S(=O)(NCc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071751601 221361983 /nfs/dbraw/zinc/36/19/83/221361983.db2.gz LBXMXDVKDDUZFF-IBGZPJMESA-N 1 0 359.495 2.275 50 0 FEAARO CC[NH+](CC)CC(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 ZINC000071762211 221369146 /nfs/dbraw/zinc/36/91/46/221369146.db2.gz OPRODGLTZHALKX-UHFFFAOYSA-N 1 0 367.497 2.436 50 0 FEAARO CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCC[C@@H](C)[NH+](C)C)C1 ZINC000072164747 221441324 /nfs/dbraw/zinc/44/13/24/221441324.db2.gz WYEVWAXXOQDOOW-CQSZACIVSA-N 1 0 368.485 2.195 50 0 FEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1cccnn1 ZINC000082108332 542684300 /nfs/dbraw/zinc/68/43/00/542684300.db2.gz AUGFYUGKUASDMB-UHFFFAOYSA-N 1 0 354.458 2.142 50 0 FEAARO C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2)CC1 ZINC000077285304 132179304 /nfs/dbraw/zinc/17/93/04/132179304.db2.gz VPSBPTIEIXXOPG-QGZVFWFLSA-N 1 0 353.470 2.181 50 0 FEAARO C[NH+]1CCN(c2ccc(C(=O)N3Cc4ccccc4[C@@H](O)C3)cc2)CC1 ZINC000082146847 132197399 /nfs/dbraw/zinc/19/73/99/132197399.db2.gz DNXFNBOSNJCUND-FQEVSTJZSA-N 1 0 351.450 2.128 50 0 FEAARO O[C@@H]1C[C@H](O)C12CC[NH+](C1CCN(c3ccc4c(c3)CCC4)CC1)CC2 ZINC000091416535 132201368 /nfs/dbraw/zinc/20/13/68/132201368.db2.gz JGTAHGXVAWGIMF-OYRHEFFESA-N 1 0 356.510 2.352 50 0 FEAARO Cc1ccc([C@@H](C[NH2+]C2CCN(c3ncccn3)CC2)N2CCOCC2)o1 ZINC000095513047 132213185 /nfs/dbraw/zinc/21/31/85/132213185.db2.gz IHLHQFFTHLSULV-GOSISDBHSA-N 1 0 371.485 2.010 50 0 FEAARO O=C(Nc1c[nH+]ccc1N1CCOCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000096011814 132217058 /nfs/dbraw/zinc/21/70/58/132217058.db2.gz UJPPLVCBXLBWID-UHFFFAOYSA-N 1 0 352.394 2.055 50 0 FEAARO CSCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000237306789 132247472 /nfs/dbraw/zinc/24/74/72/132247472.db2.gz XRXQHVRUYMEULE-LBPRGKRZSA-N 1 0 363.314 2.117 50 0 FEAARO CN1C(=O)C[C@@H](C(=O)N2CCC([NH+]3CCSCC3)CC2)c2ccccc21 ZINC000216466129 132271758 /nfs/dbraw/zinc/27/17/58/132271758.db2.gz CEKJFZCJPSLPAV-QGZVFWFLSA-N 1 0 373.522 2.177 50 0 FEAARO OCc1ccc2c(c1)CN(CC[NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000244712726 132290428 /nfs/dbraw/zinc/29/04/28/132290428.db2.gz KVOVMMUBWRNSJU-UHFFFAOYSA-N 1 0 367.493 2.196 50 0 FEAARO c1sc(-c2ncccn2)nc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000058208454 132376461 /nfs/dbraw/zinc/37/64/61/132376461.db2.gz OSKQCDWXRKXFBQ-CYBMUJFWSA-N 1 0 353.455 2.149 50 0 FEAARO C[NH+]1CCN(c2ncnc3c2nnn3Cc2cccc3ccccc32)CC1 ZINC000001425167 132381875 /nfs/dbraw/zinc/38/18/75/132381875.db2.gz ZHRYDCSAWUVHSG-UHFFFAOYSA-N 1 0 359.437 2.175 50 0 FEAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CCN1C(=O)COc2ccccc21 ZINC000002943750 132384398 /nfs/dbraw/zinc/38/43/98/132384398.db2.gz RDKBSIUZXKOOIN-HZPDHXFCSA-N 1 0 359.470 2.181 50 0 FEAARO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000089960844 542776725 /nfs/dbraw/zinc/77/67/25/542776725.db2.gz QIRJBVMORQZHHD-VXGBXAGGSA-N 1 0 358.408 2.334 50 0 FEAARO O=C(c1n[nH]c2ccccc21)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000091391387 542806350 /nfs/dbraw/zinc/80/63/50/542806350.db2.gz JQYLCKVLZARKBD-GOEBONIOSA-N 1 0 354.454 2.278 50 0 FEAARO O=C1[C@H]2CC[C@H](C[N@@H+](C3CSCCSC3)C2)N1Cc1cscn1 ZINC000091391203 542806373 /nfs/dbraw/zinc/80/63/73/542806373.db2.gz VADFWCJNVPCOJQ-GXTWGEPZSA-N 1 0 369.581 2.415 50 0 FEAARO COC(=O)CNC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091410081 542806482 /nfs/dbraw/zinc/80/64/82/542806482.db2.gz SEYAOJBVHOBTFE-QGZVFWFLSA-N 1 0 359.470 2.071 50 0 FEAARO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091468308 542809140 /nfs/dbraw/zinc/80/91/40/542809140.db2.gz RKWAULAQSZHUIE-HUUCEWRRSA-N 1 0 356.388 2.482 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1COc2ccccc2C1 ZINC000091320265 542804575 /nfs/dbraw/zinc/80/45/75/542804575.db2.gz JUCPMLGGMNCYAH-GOSISDBHSA-N 1 0 351.450 2.414 50 0 FEAARO Cc1ccc(C(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC000091551378 542812874 /nfs/dbraw/zinc/81/28/74/542812874.db2.gz JXZXDTIVKYXPNF-UHFFFAOYSA-N 1 0 373.497 2.107 50 0 FEAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1Cl)CC2 ZINC000091593997 542814589 /nfs/dbraw/zinc/81/45/89/542814589.db2.gz WQAVXQIXKHWIAW-KGLIPLIRSA-N 1 0 372.918 2.335 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1ccc(C)n1)CC2 ZINC000091616462 542815873 /nfs/dbraw/zinc/81/58/73/542815873.db2.gz ZPJRAVQLZJTFJL-UHFFFAOYSA-N 1 0 370.501 2.091 50 0 FEAARO C[N@@H+]1CCN(Cc2cncn2C2CCCCC2)C[C@]12CCNC(=O)CC2 ZINC000091663537 542818562 /nfs/dbraw/zinc/81/85/62/542818562.db2.gz SJEGOGYTZALNHW-FQEVSTJZSA-N 1 0 359.518 2.175 50 0 FEAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)cn1 ZINC000091713817 542821300 /nfs/dbraw/zinc/82/13/00/542821300.db2.gz VXGUOYFHKMOJJI-UHFFFAOYSA-N 1 0 367.497 2.262 50 0 FEAARO Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)cn1 ZINC000091724828 542821609 /nfs/dbraw/zinc/82/16/09/542821609.db2.gz DVADPHPQWBPZIW-OXJNMPFZSA-N 1 0 362.477 2.489 50 0 FEAARO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3[nH]c4ccccc4c3c2)C[C@@H]1CO ZINC000091650543 542818031 /nfs/dbraw/zinc/81/80/31/542818031.db2.gz MPAJHIBGVWEBIH-IAGOWNOFSA-N 1 0 365.477 2.492 50 0 FEAARO CSc1ccc(C[NH+]2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1 ZINC000091770421 542825503 /nfs/dbraw/zinc/82/55/03/542825503.db2.gz OZFKRANOGFWKMI-UHFFFAOYSA-N 1 0 361.511 2.098 50 0 FEAARO C[C@@H](CCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)[NH+](C)C ZINC000091818011 542826782 /nfs/dbraw/zinc/82/67/82/542826782.db2.gz VDMDIRWITFQSTB-JHMRYYBSSA-N 1 0 372.513 2.308 50 0 FEAARO Cn1c(Cn2cccn2)nnc1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000091876452 542830565 /nfs/dbraw/zinc/83/05/65/542830565.db2.gz HWTFAPXGMIEXCG-INIZCTEOSA-N 1 0 352.442 2.145 50 0 FEAARO Cn1ncc2c1nc(N1CC[NH+](C3CCCCC3)CC1)nc2N1CCCC1 ZINC000033266215 136117596 /nfs/dbraw/zinc/11/75/96/136117596.db2.gz PKFZYOWGSLFERD-UHFFFAOYSA-N 1 0 369.517 2.418 50 0 FEAARO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c(C)c1 ZINC000095368475 542961931 /nfs/dbraw/zinc/96/19/31/542961931.db2.gz WXGJBWXDMOQKTR-CTNGQTDRSA-N 1 0 373.541 2.154 50 0 FEAARO O=C(NCc1nc(-c2cccnc2)no1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095370489 542961994 /nfs/dbraw/zinc/96/19/94/542961994.db2.gz VOETUFPYSRBFKH-UHFFFAOYSA-N 1 0 367.409 2.253 50 0 FEAARO Cc1cc(N2CCOCC2)nc2sc3c(ncnc3NCC[NH+](C)C)c21 ZINC000071281153 136138664 /nfs/dbraw/zinc/13/86/64/136138664.db2.gz AOWIQCSCUPNYIL-UHFFFAOYSA-N 1 0 372.498 2.358 50 0 FEAARO CC[C@@H]1CN(c2nc(-c3cccnc3)nc3c2CNC3)CC[N@@H+]1C(C)C ZINC000072129245 136142083 /nfs/dbraw/zinc/14/20/83/136142083.db2.gz YNYQKTGDUDZPFC-MRXNPFEDSA-N 1 0 352.486 2.451 50 0 FEAARO COCCc1noc(-c2ccc(N3CCC([NH+]4CCCC4)CC3)nc2)n1 ZINC000072447934 136148403 /nfs/dbraw/zinc/14/84/03/136148403.db2.gz NEFMYBLFPIMSGD-UHFFFAOYSA-N 1 0 357.458 2.385 50 0 FEAARO CN(CC(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1)c1ccccc1 ZINC000095353424 542957377 /nfs/dbraw/zinc/95/73/77/542957377.db2.gz KDUMOCNDHCQTTR-GOSISDBHSA-N 1 0 369.513 2.287 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCC(Cn2cccn2)CC1 ZINC000095357747 542959012 /nfs/dbraw/zinc/95/90/12/542959012.db2.gz OKJXQIOQKYSFHP-SFHVURJKSA-N 1 0 360.502 2.013 50 0 FEAARO Cn1cnnc1C1CCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000095359160 542959323 /nfs/dbraw/zinc/95/93/23/542959323.db2.gz SLRGXSOSSCQRCZ-UHFFFAOYSA-N 1 0 357.458 2.026 50 0 FEAARO Cc1nc(SCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n[nH]1 ZINC000095361704 542960021 /nfs/dbraw/zinc/96/00/21/542960021.db2.gz ZURMAYLTUJCDPK-IAGOWNOFSA-N 1 0 371.510 2.328 50 0 FEAARO O=C(NCc1cc(-c2cccnc2)no1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095382341 542965502 /nfs/dbraw/zinc/96/55/02/542965502.db2.gz NVJOIRJCDNVHMH-MRXNPFEDSA-N 1 0 370.453 2.244 50 0 FEAARO CCOCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386017 542966426 /nfs/dbraw/zinc/96/64/26/542966426.db2.gz PYVAFLVTIRHWIS-ZLGUVYLKSA-N 1 0 372.465 2.231 50 0 FEAARO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@@H]3CC(N)=O)ccc2c1 ZINC000095466744 542972037 /nfs/dbraw/zinc/97/20/37/542972037.db2.gz YEFUGSDBGWDBSM-GOSISDBHSA-N 1 0 369.465 2.147 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cc2cnc[nH]2)C1 ZINC000095498822 542973971 /nfs/dbraw/zinc/97/39/71/542973971.db2.gz ZNJYTBKOADTAMS-QGZVFWFLSA-N 1 0 370.497 2.374 50 0 FEAARO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCS(=O)(=O)CC1 ZINC000095497968 542974214 /nfs/dbraw/zinc/97/42/14/542974214.db2.gz UHFXNDUSCUNAKM-UHFFFAOYSA-N 1 0 364.511 2.322 50 0 FEAARO O=C([C@@H]1CCOc2ccccc2C1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000095507800 542976023 /nfs/dbraw/zinc/97/60/23/542976023.db2.gz VEMAKNKFMVIUCT-GOSISDBHSA-N 1 0 358.482 2.077 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc3c(cc1OC)CCC3)C2 ZINC000095504547 542976189 /nfs/dbraw/zinc/97/61/89/542976189.db2.gz GQZNFVPDPJATBG-PKOBYXMFSA-N 1 0 358.482 2.253 50 0 FEAARO COc1cc(C(=O)N[C@@H](C)c2nc(C)no2)ccc1OC1CC[NH+](C)CC1 ZINC000095505477 542976273 /nfs/dbraw/zinc/97/62/73/542976273.db2.gz GZRUSZHYVHLYCN-LBPRGKRZSA-N 1 0 374.441 2.351 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CC1=Cc3cc(OC)ccc3OC1)C2 ZINC000095504755 542976367 /nfs/dbraw/zinc/97/63/67/542976367.db2.gz IXXLJXAFXUGIBX-FUHWJXTLSA-N 1 0 372.465 2.040 50 0 FEAARO CCc1[nH]nc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1C ZINC000095506627 542976474 /nfs/dbraw/zinc/97/64/74/542976474.db2.gz WLANQJDOARWAHO-HNNXBMFYSA-N 1 0 358.490 2.058 50 0 FEAARO Cc1cnc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)cn1 ZINC000095511406 542977140 /nfs/dbraw/zinc/97/71/40/542977140.db2.gz HEKVSFMSGMVDNY-UHFFFAOYSA-N 1 0 368.485 2.154 50 0 FEAARO Cc1noc(-c2ccc(N3CC[N@H+](Cc4ccccc4)C[C@H](O)C3)nc2)n1 ZINC000095524727 542980911 /nfs/dbraw/zinc/98/09/11/542980911.db2.gz WJXRMNVDMIRKHY-SFHVURJKSA-N 1 0 365.437 2.123 50 0 FEAARO CN(C)C(=O)c1[nH]nc2c1C[N@H+](C[C@@H]1CCOc3ccccc3C1)CC2 ZINC000095529396 542981903 /nfs/dbraw/zinc/98/19/03/542981903.db2.gz LRHIZGKXTIVJKP-CQSZACIVSA-N 1 0 354.454 2.111 50 0 FEAARO Cc1ncsc1CCC(=O)N1CCC([N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072448037 221533870 /nfs/dbraw/zinc/53/38/70/221533870.db2.gz BRQUEBOBOQLJDF-OKILXGFUSA-N 1 0 351.516 2.484 50 0 FEAARO CCOCc1nc2c(c(N(C)Cc3cc(C(C)C)no3)n1)CC[NH2+]CC2 ZINC000072476124 221548860 /nfs/dbraw/zinc/54/88/60/221548860.db2.gz SEPDYYGDGLSYFR-UHFFFAOYSA-N 1 0 359.474 2.449 50 0 FEAARO O=C(CCc1ccc(F)cc1F)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077505577 221638742 /nfs/dbraw/zinc/63/87/42/221638742.db2.gz OITINKDINJKHQE-IBGZPJMESA-N 1 0 352.425 2.347 50 0 FEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077516997 221639542 /nfs/dbraw/zinc/63/95/42/221639542.db2.gz WMSKIJQFPLSXNF-JOCHJYFZSA-N 1 0 371.525 2.412 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3ccc(Cl)s3)C[C@@H]2CO)C[C@H](C)O1 ZINC000092002524 221825319 /nfs/dbraw/zinc/82/53/19/221825319.db2.gz BFVQZXYHNWLZKO-XJFOESAGSA-N 1 0 372.918 2.191 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000095379207 221883797 /nfs/dbraw/zinc/88/37/97/221883797.db2.gz NMHSGPFYPXBECZ-KRWDZBQOSA-N 1 0 356.470 2.230 50 0 FEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@H]1COc2ccccc2O1 ZINC000096151908 222054155 /nfs/dbraw/zinc/05/41/55/222054155.db2.gz AFARABOBVRRPDV-GOSISDBHSA-N 1 0 362.495 2.303 50 0 FEAARO C[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000097098449 222157807 /nfs/dbraw/zinc/15/78/07/222157807.db2.gz OPQJIDHSSAMTDZ-QGZVFWFLSA-N 1 0 361.486 2.287 50 0 FEAARO NC(=O)CCN1CC[NH+](C[C@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000097087838 222158517 /nfs/dbraw/zinc/15/85/17/222158517.db2.gz SRCFMKDOMFFZMU-OAQYLSRUSA-N 1 0 363.505 2.486 50 0 FEAARO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(N(C)C(C)=O)cc1)[NH+](C)C ZINC000097166145 222165812 /nfs/dbraw/zinc/16/58/12/222165812.db2.gz HVNRJINOAYSSSR-GOSISDBHSA-N 1 0 369.531 2.314 50 0 FEAARO C[NH+](C)CCN1C[C@H](C(=O)NCc2cccc(-c3ccccc3)c2)CC1=O ZINC000097551468 222190927 /nfs/dbraw/zinc/19/09/27/222190927.db2.gz SFWDKHZEHSQXPE-HXUWFJFHSA-N 1 0 365.477 2.380 50 0 FEAARO CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000097360263 222178291 /nfs/dbraw/zinc/17/82/91/222178291.db2.gz JIRWOICUTUHOQP-MRXNPFEDSA-N 1 0 373.478 2.142 50 0 FEAARO O=C(NCc1cccc(-n2cccn2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000097514362 222186355 /nfs/dbraw/zinc/18/63/55/222186355.db2.gz QLJDSUZSWZUSII-UHFFFAOYSA-N 1 0 368.481 2.380 50 0 FEAARO CSCCc1nc(C[C@H]2COCC[NH2+]2)n(-c2ccc3c(c2)CCC3)n1 ZINC000097655466 222203422 /nfs/dbraw/zinc/20/34/22/222203422.db2.gz KDQXMYFPVQTFDT-INIZCTEOSA-N 1 0 358.511 2.192 50 0 FEAARO O=C(CCc1nc2ccccc2s1)NCc1cc2n(n1)CCC[NH2+]C2 ZINC000097681707 222206100 /nfs/dbraw/zinc/20/61/00/222206100.db2.gz SNEYZTNMCNUHNN-UHFFFAOYSA-N 1 0 355.467 2.235 50 0 FEAARO O=C(CCNC(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1)Nc1ccccc1 ZINC000097766703 222211138 /nfs/dbraw/zinc/21/11/38/222211138.db2.gz HDENSYFCVXSBDI-INIZCTEOSA-N 1 0 359.470 2.022 50 0 FEAARO Cc1cc(NC(=O)c2cccc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2)n(C)n1 ZINC000101784915 222283238 /nfs/dbraw/zinc/28/32/38/222283238.db2.gz NOYBEPZPRHRFKK-PIIMJCKOSA-N 1 0 354.454 2.469 50 0 FEAARO CC[N@@H+]1CCc2nc(-c3ccccc3)nc(N3CC[C@@H](CO)C3)c2CC1 ZINC000107001740 222390810 /nfs/dbraw/zinc/39/08/10/222390810.db2.gz SEUTVDYXWGZSNP-MRXNPFEDSA-N 1 0 352.482 2.383 50 0 FEAARO Cc1ccc2[nH]c(CN3CC[N@H+](C)[C@]4(C3)CCC(=O)N(C)CC4)nc2c1C ZINC000107400499 222393580 /nfs/dbraw/zinc/39/35/80/222393580.db2.gz XYSFPLMRKNTVBI-OAQYLSRUSA-N 1 0 369.513 2.308 50 0 FEAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000133123729 544257071 /nfs/dbraw/zinc/25/70/71/544257071.db2.gz YXAUKDZFMRHKOP-NSHDSACASA-N 1 0 364.243 2.115 50 0 FEAARO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CCO2)cn1 ZINC000267634979 329345330 /nfs/dbraw/zinc/34/53/30/329345330.db2.gz GLLQFYMRTZAFMB-PMACEKPBSA-N 1 0 368.481 2.375 50 0 FEAARO CCOc1ccc(NC(=O)[C@H](C)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000242338926 521106419 /nfs/dbraw/zinc/10/64/19/521106419.db2.gz ZDPQOUYLMDNDRN-JQFCIGGWSA-N 1 0 351.516 2.390 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)CCc2cc(Br)ccc2OC)C1 ZINC000179028071 522054213 /nfs/dbraw/zinc/05/42/13/522054213.db2.gz UMEPCYXTGPLVTL-LBPRGKRZSA-N 1 0 355.276 2.458 50 0 FEAARO CCn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000091620064 523207964 /nfs/dbraw/zinc/20/79/64/523207964.db2.gz LODBHDOXMREEQJ-UHFFFAOYSA-N 1 0 355.446 2.219 50 0 FEAARO COCCCN1CC2(CCC1=O)CC[NH+](CCCn1ccnc1C)CC2 ZINC000091462331 523294708 /nfs/dbraw/zinc/29/47/08/523294708.db2.gz RDQDJWPMTSCSPA-UHFFFAOYSA-N 1 0 362.518 2.323 50 0 FEAARO CN(C(=O)C[NH+]1CCC(C(N)=O)CC1)C(c1ccccc1)c1ccccc1 ZINC000020940595 523816008 /nfs/dbraw/zinc/81/60/08/523816008.db2.gz FQGJFSROIQOHMB-UHFFFAOYSA-N 1 0 365.477 2.432 50 0 FEAARO C[NH+]1CCN(Cn2cc(CCC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000020624405 523913770 /nfs/dbraw/zinc/91/37/70/523913770.db2.gz OIPHUUQRGSQLOX-UHFFFAOYSA-N 1 0 354.498 2.401 50 0 FEAARO CN(C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000179121911 523960414 /nfs/dbraw/zinc/96/04/14/523960414.db2.gz ZMVIFBMGZIWFAG-JTQLQIEISA-N 1 0 356.323 2.464 50 0 FEAARO Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CC[C@@H](C[NH3+])C3)CCCC2)c1 ZINC000178535901 524184877 /nfs/dbraw/zinc/18/48/77/524184877.db2.gz LFYPVHOYDISUKY-INIZCTEOSA-N 1 0 364.511 2.197 50 0 FEAARO Cc1ccc(OCC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000019902152 525387189 /nfs/dbraw/zinc/38/71/89/525387189.db2.gz OQUVTPIXIGNPGR-UHFFFAOYSA-N 1 0 359.514 2.440 50 0 FEAARO COc1cccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000020472455 525801507 /nfs/dbraw/zinc/80/15/07/525801507.db2.gz HBICLSULDMUTCX-QGZVFWFLSA-N 1 0 373.497 2.102 50 0 FEAARO C[C@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)n1ccnc1 ZINC000091364730 526077347 /nfs/dbraw/zinc/07/73/47/526077347.db2.gz XGNCBWIDKVPWLF-OAHLLOKOSA-N 1 0 356.474 2.105 50 0 FEAARO Cc1noc(C)c1CCCn1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091707954 526489217 /nfs/dbraw/zinc/48/92/17/526489217.db2.gz CXXZXUQJEOXPRL-UHFFFAOYSA-N 1 0 355.446 2.304 50 0 FEAARO c1nnc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)n1CCc1ccccc1 ZINC000082108078 526623361 /nfs/dbraw/zinc/62/33/61/526623361.db2.gz VTWQJHPIWFAVLN-SFHVURJKSA-N 1 0 356.470 2.339 50 0 FEAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccc(CO)cc1 ZINC000082087523 526644900 /nfs/dbraw/zinc/64/49/00/526644900.db2.gz CEHAFWUZYUWAPA-UHFFFAOYSA-N 1 0 368.481 2.454 50 0 FEAARO O=C(CCn1cccn1)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082083351 526676223 /nfs/dbraw/zinc/67/62/23/526676223.db2.gz RWHHQNYCUAJSJI-UHFFFAOYSA-N 1 0 370.501 2.325 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CCOCC2)C1 ZINC000158217646 527344583 /nfs/dbraw/zinc/34/45/83/527344583.db2.gz QENIMCACZYLSMC-OAHLLOKOSA-N 1 0 367.287 2.447 50 0 FEAARO CCOc1cc(S(=O)(=O)NCC[NH+](CC)CC)c(OCC)cc1C ZINC000170615043 546165435 /nfs/dbraw/zinc/16/54/35/546165435.db2.gz SHGYLBKEFCPLKV-UHFFFAOYSA-N 1 0 358.504 2.413 50 0 FEAARO COc1cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ncn1 ZINC000182128701 547441891 /nfs/dbraw/zinc/44/18/91/547441891.db2.gz HKNOQTUTKQUKRM-CYBMUJFWSA-N 1 0 356.430 2.227 50 0 FEAARO CN(CC[N@H+](C)C1CC1)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000186807922 548197799 /nfs/dbraw/zinc/19/77/99/548197799.db2.gz BCEPUWOEZUAWFU-UHFFFAOYSA-N 1 0 357.410 2.279 50 0 FEAARO CCn1ccc(C(=O)N(CCc2ccccn2)C2CC[NH+](CC)CC2)n1 ZINC000215400500 548671426 /nfs/dbraw/zinc/67/14/26/548671426.db2.gz WYDDELRCQONEJI-UHFFFAOYSA-N 1 0 355.486 2.467 50 0 FEAARO CS(=O)(=O)c1ccc(CN2CCC([C@H](O)c3ccccn3)CC2)cc1 ZINC000215884711 548674920 /nfs/dbraw/zinc/67/49/20/548674920.db2.gz BEOOSECDHZYLEM-IBGZPJMESA-N 1 0 360.479 2.431 50 0 FEAARO Cc1ccc(C[N@@H+]2C[C@@H]3CN(Cc4cccnc4)C[C@]3(C(=O)[O-])C2)s1 ZINC000216397171 548677793 /nfs/dbraw/zinc/67/77/93/548677793.db2.gz PBVCVAHPFVTEAH-LPHOPBHVSA-N 1 0 357.479 2.470 50 0 FEAARO COCCn1c(COc2ccc(Cl)cc2OC)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000219000837 548691888 /nfs/dbraw/zinc/69/18/88/548691888.db2.gz PLALYQDFOYVJCF-AULYBMBSSA-N 1 0 366.849 2.370 50 0 FEAARO O=C(Cc1c(F)cccc1Cl)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000219196754 548692828 /nfs/dbraw/zinc/69/28/28/548692828.db2.gz FAVQYZJQBWVUNW-UHFFFAOYSA-N 1 0 354.853 2.471 50 0 FEAARO C[C@H](Cc1cccnc1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000219656862 548694942 /nfs/dbraw/zinc/69/49/42/548694942.db2.gz RGDSZXMQUSFTDV-QGZVFWFLSA-N 1 0 352.482 2.190 50 0 FEAARO COc1ccc(-c2nc3c([nH]2)C[N@H+](CCCn2ccnc2C)CC3)cn1 ZINC000220574446 548700760 /nfs/dbraw/zinc/70/07/60/548700760.db2.gz KSBKOPPQWNHLPJ-UHFFFAOYSA-N 1 0 352.442 2.434 50 0 FEAARO CN(C)c1ccc(CCC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000221372304 548704754 /nfs/dbraw/zinc/70/47/54/548704754.db2.gz XUQWGMTWVWXWIE-LJQANCHMSA-N 1 0 359.514 2.256 50 0 FEAARO CS(=O)(=O)c1ccc(CC(=O)NCC2([NH+]3CCCC3)CCCC2)cc1 ZINC000222567291 548708417 /nfs/dbraw/zinc/70/84/17/548708417.db2.gz OAYWDZFSTALDQQ-UHFFFAOYSA-N 1 0 364.511 2.157 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)c1csc2c1CCCC2 ZINC000222820739 548712276 /nfs/dbraw/zinc/71/22/76/548712276.db2.gz ZWUIPXUJPVIRNE-HZPDHXFCSA-N 1 0 352.500 2.092 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)NCC2([NH3+])CCCCC2)cc1Cl ZINC000237252440 548812582 /nfs/dbraw/zinc/81/25/82/548812582.db2.gz KGBBZSCQQIPIJN-UHFFFAOYSA-N 1 0 360.863 2.067 50 0 FEAARO C[C@@H]1CN(Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)O1 ZINC000237775190 548852479 /nfs/dbraw/zinc/85/24/79/548852479.db2.gz IOHIAPROXXXMJA-QKLQHJQFSA-N 1 0 371.525 2.302 50 0 FEAARO CCn1c(CNCc2cc3cc(OC)ccc3[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244602014 548891007 /nfs/dbraw/zinc/89/10/07/548891007.db2.gz DWBRYBGZBRIDJE-OKILXGFUSA-N 1 0 354.458 2.282 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1)Nc1nccs1 ZINC000244691915 548892738 /nfs/dbraw/zinc/89/27/38/548892738.db2.gz JLCMMZWLMHQZSL-CYBMUJFWSA-N 1 0 356.455 2.394 50 0 FEAARO Cc1cc(COc2ccccc2)oc1C(=O)N1CCN2CCN(C)C[C@H]2C1 ZINC000244787943 548894644 /nfs/dbraw/zinc/89/46/44/548894644.db2.gz QGTQDCLHTZSRGW-KRWDZBQOSA-N 1 0 369.465 2.239 50 0 FEAARO C[C@H]1CCCN(S(=O)(=O)c2sccc2Br)[C@H]1C[NH3+] ZINC000246557352 549161669 /nfs/dbraw/zinc/16/16/69/549161669.db2.gz JZNSPDVEFQMKHJ-WPRPVWTQSA-N 1 0 353.307 2.259 50 0 FEAARO CC(=O)N[C@H](CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1c(F)cccc1F ZINC000247114779 549285487 /nfs/dbraw/zinc/28/54/87/549285487.db2.gz LXRMOODHEDLBPS-DETPVDSQSA-N 1 0 353.413 2.118 50 0 FEAARO CO[C@H]1C[N@H+](C2CCN(C(=O)Cc3ccccc3)CC2)C12CCOCC2 ZINC000257186153 549713670 /nfs/dbraw/zinc/71/36/70/549713670.db2.gz YMPXHRAKNPGOJA-IBGZPJMESA-N 1 0 358.482 2.100 50 0 FEAARO OC1CC[NH+](Cc2ccccc2CNc2cncc(-n3cccn3)n2)CC1 ZINC000269311833 550179996 /nfs/dbraw/zinc/17/99/96/550179996.db2.gz BYMMPDQMZYAJMY-UHFFFAOYSA-N 1 0 364.453 2.231 50 0 FEAARO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000286979003 551947442 /nfs/dbraw/zinc/94/74/42/551947442.db2.gz FPIWYKJYXARVBS-DGCLKSJQSA-N 1 0 358.364 2.427 50 0 FEAARO Cc1nc(-c2cccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2)cs1 ZINC000289973261 552407606 /nfs/dbraw/zinc/40/76/06/552407606.db2.gz QFKIGSMVVGMFDV-KRWDZBQOSA-N 1 0 356.495 2.238 50 0 FEAARO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@H]3CCC[C@@]3(C)CO)cs2)c1C ZINC000329949937 554037420 /nfs/dbraw/zinc/03/74/20/554037420.db2.gz BZWIEXYWTWLORZ-KSSFIOAISA-N 1 0 362.499 2.161 50 0 FEAARO O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000365031401 555468956 /nfs/dbraw/zinc/46/89/56/555468956.db2.gz CCFDOPQXVLUJML-LLVKDONJSA-N 1 0 363.405 2.346 50 0 FEAARO CC(C)C(=O)NCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000426486054 559735469 /nfs/dbraw/zinc/73/54/69/559735469.db2.gz HNDZEWQFJFGTDQ-JOCHJYFZSA-N 1 0 371.525 2.316 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCC[C@@H](OCc2cccnc2)C1 ZINC000426508154 559736304 /nfs/dbraw/zinc/73/63/04/559736304.db2.gz WTUQJZAJZKXBSG-GOSISDBHSA-N 1 0 369.469 2.010 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ccccc2OC)C(=O)C1 ZINC000426530350 559736965 /nfs/dbraw/zinc/73/69/65/559736965.db2.gz CFXJZJMSUPKASJ-INIZCTEOSA-N 1 0 359.470 2.135 50 0 FEAARO COc1cc2c(cc1OC)CN(C1CC[NH+](CCn3cccn3)CC1)CC2 ZINC000426544939 559737361 /nfs/dbraw/zinc/73/73/61/559737361.db2.gz FQKXLAFGVPVGIO-UHFFFAOYSA-N 1 0 370.497 2.423 50 0 FEAARO O=C(c1ccc(-c2cncnc2)cc1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000426641563 559739407 /nfs/dbraw/zinc/73/94/07/559739407.db2.gz PDAPCENIPDKAHX-HXUWFJFHSA-N 1 0 366.465 2.062 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](Cn2cc(-c3cnn(-c4ccccn4)c3)cn2)C1 ZINC000530250998 562404092 /nfs/dbraw/zinc/40/40/92/562404092.db2.gz NOKLHMIKZKNYHS-SFHVURJKSA-N 1 0 352.442 2.240 50 0 FEAARO COc1cccc(CN2CCN(C(=O)NC[C@@H](C)[NH+]3CCCC3)CC2)c1 ZINC000534589531 562537502 /nfs/dbraw/zinc/53/75/02/562537502.db2.gz YZFXGMAGMBADJS-QGZVFWFLSA-N 1 0 360.502 2.007 50 0 FEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N3CCC[C@@H](COC)C3)cc2C1 ZINC000534590004 562537765 /nfs/dbraw/zinc/53/77/65/562537765.db2.gz JOEQNMGYXNOGAG-MRXNPFEDSA-N 1 0 363.506 2.067 50 0 FEAARO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)N1CCc2[nH]cnc2C1 ZINC000534669426 562539922 /nfs/dbraw/zinc/53/99/22/562539922.db2.gz SNXCCNFAMBDVSW-SFHVURJKSA-N 1 0 357.433 2.454 50 0 FEAARO CC[NH+]1CCC(CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)CC1 ZINC000215969086 568098100 /nfs/dbraw/zinc/09/81/00/568098100.db2.gz HMBOWPAAJHYCNM-HXUWFJFHSA-N 1 0 353.470 2.401 50 0 FEAARO C[C@@H](NS(=O)(=O)c1sccc1Br)[C@@H]1CCCC[NH2+]1 ZINC000583652137 570812478 /nfs/dbraw/zinc/81/24/78/570812478.db2.gz ZGSUHQPQTQSDIP-SCZZXKLOSA-N 1 0 353.307 2.320 50 0 FEAARO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)cc1 ZINC000065256998 570834641 /nfs/dbraw/zinc/83/46/41/570834641.db2.gz FLRAJHJHBRXNPU-SFHVURJKSA-N 1 0 366.465 2.351 50 0 FEAARO CC(C)C(=O)N1CCN(C(=O)[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000048309341 570943306 /nfs/dbraw/zinc/94/33/06/570943306.db2.gz VDDUFZGQSUGINY-HXUWFJFHSA-N 1 0 371.525 2.396 50 0 FEAARO CC(=O)N1CCC([NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000121866370 571179360 /nfs/dbraw/zinc/17/93/60/571179360.db2.gz MJSIHJURQCPCOJ-HOTGVXAUSA-N 1 0 373.497 2.037 50 0 FEAARO Cc1ccc(CN(CCO)C(=O)c2cc(F)ccc2OCC[NH3+])s1 ZINC000426386901 571217994 /nfs/dbraw/zinc/21/79/94/571217994.db2.gz MXHAFUVOHJNOPG-UHFFFAOYSA-N 1 0 352.431 2.168 50 0 FEAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)C(C)C)CC3)C2)CC1 ZINC000581820233 571292830 /nfs/dbraw/zinc/29/28/30/571292830.db2.gz ZYQPRDJSIFXGAG-LJQANCHMSA-N 1 0 365.562 2.456 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000584888615 571314278 /nfs/dbraw/zinc/31/42/78/571314278.db2.gz PULLFJDBEBOPKU-SFHVURJKSA-N 1 0 374.529 2.340 50 0 FEAARO CN(CCC(=O)NCc1ccc2sccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000670461281 571356802 /nfs/dbraw/zinc/35/68/02/571356802.db2.gz VAANKCNDFFWRBJ-HNNXBMFYSA-N 1 0 366.508 2.027 50 0 FEAARO Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@@H]([NH+]2CCOCC2)[C@H](O)C1 ZINC000012753808 670003767 /nfs/dbraw/zinc/00/37/67/670003767.db2.gz ICTZMQPANPFLPG-QZTJIDSGSA-N 1 0 363.889 2.397 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)c(C)c1 ZINC000023340417 670047456 /nfs/dbraw/zinc/04/74/56/670047456.db2.gz YWTNIRFIQGSDNK-SFHVURJKSA-N 1 0 367.559 2.340 50 0 FEAARO COc1cc(C[N@@H+]2CC[C@@H](C3CCN(S(C)(=O)=O)CC3)C2)ccc1F ZINC000169782029 672322117 /nfs/dbraw/zinc/32/21/17/672322117.db2.gz FFGYEGBQHRKRJB-MRXNPFEDSA-N 1 0 370.490 2.328 50 0 FEAARO O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828390841 675817067 /nfs/dbraw/zinc/81/70/67/675817067.db2.gz JZKHGDQRKRRJRQ-UHFFFAOYSA-N 1 0 360.483 2.121 50 0 FEAARO Cc1ccsc1[C@H](CNC(=O)c1nc(N)nc2c1CCCC2)[NH+](C)C ZINC000952968690 681793257 /nfs/dbraw/zinc/79/32/57/681793257.db2.gz OBEXOPNPROOSCS-AWEZNQCLSA-N 1 0 359.499 2.340 50 0 FEAARO COCC[N@@H+]1CC[C@@H](CN(C)S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000952973236 681793722 /nfs/dbraw/zinc/79/37/22/681793722.db2.gz GHUDPZFCHLHGIQ-AWEZNQCLSA-N 1 0 368.524 2.490 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000257198579 210221708 /nfs/dbraw/zinc/22/17/08/210221708.db2.gz CQSDLWHQRFEFJJ-YQVWRLOYSA-N 1 0 373.497 2.351 50 0 FEAARO CN(C)S(=O)(=O)c1ccc(NC(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000003445257 539366456 /nfs/dbraw/zinc/36/64/56/539366456.db2.gz ZKNMYNKHAIULQO-UHFFFAOYSA-N 1 0 353.488 2.140 50 0 FEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1OC ZINC000004163953 539378686 /nfs/dbraw/zinc/37/86/86/539378686.db2.gz ZYGBRNLERRAQPU-QGZVFWFLSA-N 1 0 368.433 2.476 50 0 FEAARO C[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC000004894095 539394845 /nfs/dbraw/zinc/39/48/45/539394845.db2.gz KSIYQTPXTUXXOS-VALILCMLSA-N 1 0 361.515 2.454 50 0 FEAARO CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007987340 539474174 /nfs/dbraw/zinc/47/41/74/539474174.db2.gz BBUSFXMKFVVJCZ-IBGZPJMESA-N 1 0 372.490 2.236 50 0 FEAARO O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864299 539493865 /nfs/dbraw/zinc/49/38/65/539493865.db2.gz YHCIBCNRSIGGBF-GOSISDBHSA-N 1 0 371.506 2.360 50 0 FEAARO CCn1nc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c2ccccc2c1=O ZINC000009515701 539503937 /nfs/dbraw/zinc/50/39/37/539503937.db2.gz IHYLPRBEWMDRNG-GOSISDBHSA-N 1 0 364.449 2.449 50 0 FEAARO COC(=O)c1ccc2c(c1)nc(CSC1=[NH+][C@H]3CCCC[C@@H]3N1)[nH]c2=O ZINC000009478034 539503027 /nfs/dbraw/zinc/50/30/27/539503027.db2.gz SQDSGKHIVOCLCR-STQMWFEESA-N 1 0 372.450 2.213 50 0 FEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)COC ZINC000011839987 539536500 /nfs/dbraw/zinc/53/65/00/539536500.db2.gz HKDCQQDKFZYAGT-UHFFFAOYSA-N 1 0 364.486 2.029 50 0 FEAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1Cc2ccccc2C1 ZINC000012073762 539541936 /nfs/dbraw/zinc/54/19/36/539541936.db2.gz QJIOSYILVIUHBZ-HSZRJFAPSA-N 1 0 364.489 2.340 50 0 FEAARO Cc1nnc(SCC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000012195978 539549394 /nfs/dbraw/zinc/54/93/94/539549394.db2.gz YKTHUHOVZPTXOF-INIZCTEOSA-N 1 0 360.483 2.293 50 0 FEAARO CC[C@@H](O)CN1C(=O)CC[C@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012281110 539552039 /nfs/dbraw/zinc/55/20/39/539552039.db2.gz MXRSBBFBAZZVCM-UONOGXRCSA-N 1 0 368.861 2.310 50 0 FEAARO CC[C@@H](O)CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000012281108 539552099 /nfs/dbraw/zinc/55/20/99/539552099.db2.gz MXRSBBFBAZZVCM-ZIAGYGMSSA-N 1 0 368.861 2.310 50 0 FEAARO CCCc1cc(CNC(=O)c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2)on1 ZINC000012431815 539559098 /nfs/dbraw/zinc/55/90/98/539559098.db2.gz HEHCNLYDLLVFQU-QGZVFWFLSA-N 1 0 369.469 2.237 50 0 FEAARO CN1CC[C@H]([N@H+](C)CCC(=O)N(Cc2ccco2)Cc2ccccn2)C1 ZINC000299798444 210038410 /nfs/dbraw/zinc/03/84/10/210038410.db2.gz SCXIOPHJLHVBEF-SFHVURJKSA-N 1 0 356.470 2.229 50 0 FEAARO Cc1n[nH]c(C)c1-c1cccc(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000299790028 210031675 /nfs/dbraw/zinc/03/16/75/210031675.db2.gz AQEZKHXFMNNAPR-GOSISDBHSA-N 1 0 356.470 2.270 50 0 FEAARO CC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1ccncc1 ZINC000299788717 210031331 /nfs/dbraw/zinc/03/13/31/210031331.db2.gz ZSLCADHTEGFRIO-UXHICEINSA-N 1 0 351.450 2.479 50 0 FEAARO COc1ccc2cc(C[N@@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)c(=O)[nH]c2c1 ZINC000299786162 210029719 /nfs/dbraw/zinc/02/97/19/210029719.db2.gz TYBGYZQHELSMRG-ZAAXVRCTSA-N 1 0 358.438 2.453 50 0 FEAARO CSc1ncc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cn1 ZINC000012576463 539565444 /nfs/dbraw/zinc/56/54/44/539565444.db2.gz NNCLMMWUKPDKCJ-UHFFFAOYSA-N 1 0 364.515 2.050 50 0 FEAARO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000299783348 210026895 /nfs/dbraw/zinc/02/68/95/210026895.db2.gz YGDSJAVNSUKJEG-CFGMGRTJSA-N 1 0 361.436 2.195 50 0 FEAARO CCc1oc(C(=O)N(C)C2CCS(=O)(=O)CC2)cc1C[NH+](CC)CC ZINC000299774774 210020576 /nfs/dbraw/zinc/02/05/76/210020576.db2.gz IGLFTSFNAIYIER-UHFFFAOYSA-N 1 0 370.515 2.333 50 0 FEAARO COc1ccc(C)cc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012613773 539568142 /nfs/dbraw/zinc/56/81/42/539568142.db2.gz CYHWGCIKIINHSO-UHFFFAOYSA-N 1 0 354.454 2.332 50 0 FEAARO COCc1noc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299774613 210021751 /nfs/dbraw/zinc/02/17/51/210021751.db2.gz HFOQXIKDFHEFLM-XHSDSOJGSA-N 1 0 356.426 2.058 50 0 FEAARO O=C(c1cccc(-c2cnccn2)c1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000299776230 210020988 /nfs/dbraw/zinc/02/09/88/210020988.db2.gz LTNXOFNDFPSQOR-LJQANCHMSA-N 1 0 366.465 2.062 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1cc(C(F)(F)F)n[nH]1 ZINC000299771354 210018224 /nfs/dbraw/zinc/01/82/24/210018224.db2.gz ZDMRNSYQQSEANB-UHFFFAOYSA-N 1 0 353.348 2.218 50 0 FEAARO C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@]1(O)CCCN(CC2CC2)C1=O ZINC000012764205 539572930 /nfs/dbraw/zinc/57/29/30/539572930.db2.gz WNCXSZVNJGMFTE-OAQYLSRUSA-N 1 0 368.481 2.068 50 0 FEAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)Nc3cccn4cnnc34)O2)CC1 ZINC000299768588 210016626 /nfs/dbraw/zinc/01/66/26/210016626.db2.gz KAWNZLVLLKVGAU-HNNXBMFYSA-N 1 0 372.473 2.273 50 0 FEAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCF)CC1 ZINC000299767313 210014857 /nfs/dbraw/zinc/01/48/57/210014857.db2.gz QQLRNGOCWQXHHD-GOSISDBHSA-N 1 0 368.424 2.256 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc(F)cc2F)C3)CC1 ZINC000021039392 539680035 /nfs/dbraw/zinc/68/00/35/539680035.db2.gz BBHCNSXIMFXZPM-UHFFFAOYSA-N 1 0 373.451 2.455 50 0 FEAARO COCC[NH+]1CCC(CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000023127563 539706729 /nfs/dbraw/zinc/70/67/29/539706729.db2.gz SREREKYTESDERY-UHFFFAOYSA-N 1 0 354.516 2.249 50 0 FEAARO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc2ncccn2n1)c1ccco1 ZINC000029918749 539868814 /nfs/dbraw/zinc/86/88/14/539868814.db2.gz ZWFBESQCYWWXGF-ZDUSSCGKSA-N 1 0 374.470 2.009 50 0 FEAARO CC1CC[NH+](Cc2ccc(CNC(=O)CN3CSCC3=O)cc2)CC1 ZINC000031200898 539901346 /nfs/dbraw/zinc/90/13/46/539901346.db2.gz VTVCUTNCKYIUAB-UHFFFAOYSA-N 1 0 361.511 2.068 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1sc2nc(C)n(C)c(=O)c2c1C ZINC000031868383 539922076 /nfs/dbraw/zinc/92/20/76/539922076.db2.gz QHMQFRJWUNBBGC-UHFFFAOYSA-N 1 0 350.488 2.074 50 0 FEAARO CC(C)CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000033032534 539964583 /nfs/dbraw/zinc/96/45/83/539964583.db2.gz DFPPXSUPYXMJBO-UHFFFAOYSA-N 1 0 369.868 2.399 50 0 FEAARO O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000033032580 539964691 /nfs/dbraw/zinc/96/46/91/539964691.db2.gz SFNADFHQLCBCMZ-UHFFFAOYSA-N 1 0 373.403 2.039 50 0 FEAARO Cc1cccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098616 539987088 /nfs/dbraw/zinc/98/70/88/539987088.db2.gz CIWDPHKBSOTGAW-HXUWFJFHSA-N 1 0 364.530 2.305 50 0 FEAARO Cc1ccc(-c2cc(C(=O)N[C@@H](C(=O)NCC[NH+](C)C)C(C)C)no2)cc1 ZINC000035989849 539984492 /nfs/dbraw/zinc/98/44/92/539984492.db2.gz PNYGDEZJEJNGCV-GOSISDBHSA-N 1 0 372.469 2.082 50 0 FEAARO CC[NH+](CC)CCNS(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000036358232 539989026 /nfs/dbraw/zinc/98/90/26/539989026.db2.gz SAQYCTXFGAQQOK-UHFFFAOYSA-N 1 0 368.478 2.248 50 0 FEAARO NC(=O)c1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000036394793 539990132 /nfs/dbraw/zinc/99/01/32/539990132.db2.gz OWHQMQAXJIZVIX-UHFFFAOYSA-N 1 0 370.428 2.075 50 0 FEAARO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000037170971 539996065 /nfs/dbraw/zinc/99/60/65/539996065.db2.gz YWPRDCZPCGPPJL-YWZLYKJASA-N 1 0 352.434 2.389 50 0 FEAARO O=S(=O)(c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)o1)N1CCCC1 ZINC000040120006 540006858 /nfs/dbraw/zinc/00/68/58/540006858.db2.gz PNAIJEIBBRUYTN-AWEZNQCLSA-N 1 0 354.472 2.065 50 0 FEAARO CN(C(=O)c1csc(NC(=O)c2cccc(F)c2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000040355213 540009100 /nfs/dbraw/zinc/00/91/00/540009100.db2.gz VVGINSBCUXZQFQ-CYBMUJFWSA-N 1 0 362.430 2.311 50 0 FEAARO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000238098427 222913617 /nfs/dbraw/zinc/91/36/17/222913617.db2.gz ORTOJBOISZTMAM-LRDDRELGSA-N 1 0 373.280 2.224 50 0 FEAARO O=C(CCOc1ccc(F)cc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000042392953 540062912 /nfs/dbraw/zinc/06/29/12/540062912.db2.gz UJDGKQVLZMSGCB-SFHVURJKSA-N 1 0 350.434 2.308 50 0 FEAARO C[NH+](C)[C@H]1CCN(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)C1 ZINC000244816944 222939856 /nfs/dbraw/zinc/93/98/56/222939856.db2.gz SROWAGUCFPXBDE-SFHVURJKSA-N 1 0 373.497 2.322 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000052489218 540467948 /nfs/dbraw/zinc/46/79/48/540467948.db2.gz KZXRZHHXWFPTFL-LJQANCHMSA-N 1 0 358.482 2.495 50 0 FEAARO CCCNC(=O)C1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000052492900 540468100 /nfs/dbraw/zinc/46/81/00/540468100.db2.gz JPOFZWTVEDRAEX-UHFFFAOYSA-N 1 0 357.498 2.420 50 0 FEAARO CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000054173060 540573538 /nfs/dbraw/zinc/57/35/38/540573538.db2.gz CPLHFFFGFNRHGG-HNNXBMFYSA-N 1 0 355.866 2.443 50 0 FEAARO C[C@@H]([NH3+])c1nc(CC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)n[nH]1 ZINC000055132255 540630671 /nfs/dbraw/zinc/63/06/71/540630671.db2.gz ZNQYHSUNHAUYDP-LLVKDONJSA-N 1 0 357.414 2.105 50 0 FEAARO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)C(=O)NC(=O)NC(C)(C)C ZINC000056207930 540712127 /nfs/dbraw/zinc/71/21/27/540712127.db2.gz XLKKVRZQIZOJPT-AWEZNQCLSA-N 1 0 357.458 2.034 50 0 FEAARO O=C(CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000057171031 540775189 /nfs/dbraw/zinc/77/51/89/540775189.db2.gz BIVQKCKVEWQJQW-GOSISDBHSA-N 1 0 366.465 2.439 50 0 FEAARO C[C@H](CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)[NH+]1CCC(C)CC1 ZINC000058197805 540832644 /nfs/dbraw/zinc/83/26/44/540832644.db2.gz ZJQMRUPKUUFBLB-QGZVFWFLSA-N 1 0 368.481 2.147 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3ncc[nH]3)C2=O)cc1 ZINC000067540362 541477254 /nfs/dbraw/zinc/47/72/54/541477254.db2.gz KJCJDIMRKYMUJH-OAQYLSRUSA-N 1 0 370.497 2.219 50 0 FEAARO CCc1oc(C(=O)N2CCC[C@](O)(CO)CC2)cc1C[NH+](CC)CC ZINC000072127166 541784494 /nfs/dbraw/zinc/78/44/94/541784494.db2.gz RDENOZYLZXJXLU-LJQANCHMSA-N 1 0 352.475 2.033 50 0 FEAARO CNc1nc2c(c(C(=O)N3CCCC3)n1)C[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC000072120795 541784505 /nfs/dbraw/zinc/78/45/05/541784505.db2.gz SCYRAOTYSOBZHQ-OAHLLOKOSA-N 1 0 355.486 2.469 50 0 FEAARO CCN(CC)S(=O)(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072141816 541787236 /nfs/dbraw/zinc/78/72/36/541787236.db2.gz ZVNFJGSFGLFEDA-GOSISDBHSA-N 1 0 353.532 2.260 50 0 FEAARO Cn1ncc2c1nc(C1CCCC1)nc2NC[C@H](O)C[NH+]1CCCCC1 ZINC000072144788 541788411 /nfs/dbraw/zinc/78/84/11/541788411.db2.gz UYFHZIBBMLYBLG-HNNXBMFYSA-N 1 0 358.490 2.280 50 0 FEAARO Nc1ccnc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072146402 541788108 /nfs/dbraw/zinc/78/81/08/541788108.db2.gz HIMNXTJJOHBJEW-CGTJXYLNSA-N 1 0 357.408 2.404 50 0 FEAARO Cc1cccc(-c2ncc(CN3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)cn2)c1 ZINC000072145752 541788120 /nfs/dbraw/zinc/78/81/20/541788120.db2.gz VFJBLTHNCOHGKM-TZIWHRDSSA-N 1 0 352.482 2.388 50 0 FEAARO Cc1cccc(C)c1C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CC(N)=O)C2=O ZINC000072149338 541788809 /nfs/dbraw/zinc/78/88/09/541788809.db2.gz RNWFEOZPUGRDCH-QFIPXVFZSA-N 1 0 363.461 2.279 50 0 FEAARO Cc1nc([C@H]2CCC[N@@H+](Cc3cc4ccccc4n(C)c3=O)C2)cc(=O)[nH]1 ZINC000072148663 541788895 /nfs/dbraw/zinc/78/88/95/541788895.db2.gz ZXZPGGFLOMQFFV-INIZCTEOSA-N 1 0 364.449 2.310 50 0 FEAARO COC(=O)CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072154995 541791056 /nfs/dbraw/zinc/79/10/56/541791056.db2.gz UILMQCXIFJFIKT-QGZVFWFLSA-N 1 0 350.434 2.448 50 0 FEAARO Cc1ncc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000072163568 541793486 /nfs/dbraw/zinc/79/34/86/541793486.db2.gz KIVFQYWZAJZHHO-XUVXKRRUSA-N 1 0 364.449 2.193 50 0 FEAARO CC(=O)NC[C@]1(O)CCC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)CC1 ZINC000072166670 541793908 /nfs/dbraw/zinc/79/39/08/541793908.db2.gz NMVBRKZMPMXJLJ-NRFANRHFSA-N 1 0 370.497 2.342 50 0 FEAARO CC1(C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)CC[NH2+]CC1 ZINC000072167785 541795174 /nfs/dbraw/zinc/79/51/74/541795174.db2.gz QHUMYBYWRPSCHD-MRXNPFEDSA-N 1 0 359.470 2.250 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC000064746293 212043611 /nfs/dbraw/zinc/04/36/11/212043611.db2.gz FRUXSKAVJZTOAK-UHFFFAOYSA-N 1 0 355.442 2.162 50 0 FEAARO COc1cccc(SCC(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1 ZINC000072169174 541795337 /nfs/dbraw/zinc/79/53/37/541795337.db2.gz UPHORYIDMBQJER-INIZCTEOSA-N 1 0 364.511 2.235 50 0 FEAARO Cn1ncc2c1nc(-c1ccncc1)nc2N1CCC2(C1)CC[NH+](C)CC2 ZINC000072174625 541795492 /nfs/dbraw/zinc/79/54/92/541795492.db2.gz UHWKXCMRPPDSCF-UHFFFAOYSA-N 1 0 363.469 2.347 50 0 FEAARO O=c1cc2c(nn1CN1CC[NH+](Cc3ccccc3)CC1)CCCCC2 ZINC000072405672 541805606 /nfs/dbraw/zinc/80/56/06/541805606.db2.gz SHRXTGHZKRSSFK-UHFFFAOYSA-N 1 0 352.482 2.288 50 0 FEAARO c1cn(Cc2noc(-c3ccccc3)n2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072426882 541811071 /nfs/dbraw/zinc/81/10/71/541811071.db2.gz QFGXYGMFEQSWSQ-UHFFFAOYSA-N 1 0 361.409 2.338 50 0 FEAARO Cc1cccc2c(CCNC(=O)CCc3cc4n(n3)CCC[NH2+]C4)c[nH]c21 ZINC000072425992 541811161 /nfs/dbraw/zinc/81/11/61/541811161.db2.gz LSJVLVVNVSFGPS-UHFFFAOYSA-N 1 0 365.481 2.458 50 0 FEAARO c1cn(-c2ccc(OC[C@H]3CCCO3)cc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072412365 541808095 /nfs/dbraw/zinc/80/80/95/541808095.db2.gz WLIJUZFKQCDZRY-GOSISDBHSA-N 1 0 365.437 2.397 50 0 FEAARO CCN1C[C@]2(CCC[N@H+](CC(=O)NCCc3ccccc3)C2)CCC1=O ZINC000072422344 541808872 /nfs/dbraw/zinc/80/88/72/541808872.db2.gz WPTQWNRPGYUNNE-OAQYLSRUSA-N 1 0 357.498 2.070 50 0 FEAARO Nc1nc2c(c(NCC3=CCCCC3)n1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000072424881 541810120 /nfs/dbraw/zinc/81/01/20/541810120.db2.gz SFBQHXLQBSDTIL-INIZCTEOSA-N 1 0 356.518 2.124 50 0 FEAARO C[C@@H](Cn1cncn1)[NH+]1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000072425351 541810768 /nfs/dbraw/zinc/81/07/68/541810768.db2.gz MVGLNUVLMQTLEZ-KRWDZBQOSA-N 1 0 369.469 2.196 50 0 FEAARO O=C(N[C@H]1CCSC1)c1ccc2c(c1)CN(CC[NH+]1CCCCC1)C2=O ZINC000072428131 541812119 /nfs/dbraw/zinc/81/21/19/541812119.db2.gz WHCUXAGHQDMYOS-KRWDZBQOSA-N 1 0 373.522 2.364 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072434263 541813521 /nfs/dbraw/zinc/81/35/21/541813521.db2.gz MTYKICSGTDZNCW-NRFANRHFSA-N 1 0 362.514 2.309 50 0 FEAARO Cc1ncc2c(c1CNC(=O)CCC(=O)c1ccc(F)cc1)CC[NH2+]C2 ZINC000072457672 541816897 /nfs/dbraw/zinc/81/68/97/541816897.db2.gz WXXUKZGICTWRAF-UHFFFAOYSA-N 1 0 355.413 2.454 50 0 FEAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072448178 541816244 /nfs/dbraw/zinc/81/62/44/541816244.db2.gz KMYFNUZDDHZJMT-OAQYLSRUSA-N 1 0 372.513 2.153 50 0 FEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072481211 541822586 /nfs/dbraw/zinc/82/25/86/541822586.db2.gz PTNNQMTWAYYUKG-NRFANRHFSA-N 1 0 357.498 2.370 50 0 FEAARO Cc1nn(C)c2nc(-c3cccnc3)nc(N(C)C[C@H]3CCC[N@@H+]3C)c12 ZINC000072475604 541819780 /nfs/dbraw/zinc/81/97/80/541819780.db2.gz MOMRFKXJQOGCIC-OAHLLOKOSA-N 1 0 351.458 2.264 50 0 FEAARO C[NH+](C)CCCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072478414 541820677 /nfs/dbraw/zinc/82/06/77/541820677.db2.gz UURAMLXEOUOUNL-NRFANRHFSA-N 1 0 372.513 2.155 50 0 FEAARO OC[C@H]1CCC[N@@H+](C2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000012711237 220019043 /nfs/dbraw/zinc/01/90/43/220019043.db2.gz DWRALPSZPOCEAA-AWEZNQCLSA-N 1 0 362.499 2.467 50 0 FEAARO C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000058393580 212008104 /nfs/dbraw/zinc/00/81/04/212008104.db2.gz HHLKASMKDWXDAB-ZDUSSCGKSA-N 1 0 352.429 2.185 50 0 FEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)CCn2c(=O)oc3ccccc32)o1 ZINC000058246458 212000593 /nfs/dbraw/zinc/00/05/93/212000593.db2.gz RUYPPZVBPGGMMJ-UHFFFAOYSA-N 1 0 371.437 2.476 50 0 FEAARO O=C(CCNc1ncccn1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058244809 212000366 /nfs/dbraw/zinc/00/03/66/212000366.db2.gz SFQWHDIRFYRIPW-GOSISDBHSA-N 1 0 353.470 2.307 50 0 FEAARO CCS(=O)(=O)N(C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000058264649 212001759 /nfs/dbraw/zinc/00/17/59/212001759.db2.gz JXXLKUCESZJDGC-UHFFFAOYSA-N 1 0 370.906 2.491 50 0 FEAARO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000079188910 211724845 /nfs/dbraw/zinc/72/48/45/211724845.db2.gz IYBJACMENGZDPN-TXPKVOOTSA-N 1 0 355.482 2.412 50 0 FEAARO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000071144423 211680016 /nfs/dbraw/zinc/68/00/16/211680016.db2.gz OSYJBEDQXUKXOD-SECBINFHSA-N 1 0 367.696 2.333 50 0 FEAARO C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000075094408 542151452 /nfs/dbraw/zinc/15/14/52/542151452.db2.gz ABCGSJREGJHEKE-GJZGRUSLSA-N 1 0 356.532 2.065 50 0 FEAARO CCC[NH+]1CCN(CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 ZINC000020595131 211289254 /nfs/dbraw/zinc/28/92/54/211289254.db2.gz NJQIYDQBJMZSPJ-UHFFFAOYSA-N 1 0 355.866 2.323 50 0 FEAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000020363260 211277437 /nfs/dbraw/zinc/27/74/37/211277437.db2.gz ZHOCVIMVRKQRET-INIZCTEOSA-N 1 0 359.495 2.421 50 0 FEAARO COc1ccccc1NC1=[NH+][C@@H](c2coc3ccccc3c2=O)NC(=N)N1 ZINC000019329981 211215611 /nfs/dbraw/zinc/21/56/11/211215611.db2.gz QGGRAEYMZKOOQG-KRWDZBQOSA-N 1 0 363.377 2.396 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccnn2C)C1 ZINC000014958903 211105907 /nfs/dbraw/zinc/10/59/07/211105907.db2.gz QCASDJUOHUCWKK-KRWDZBQOSA-N 1 0 370.497 2.455 50 0 FEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccco1)CC2)C1CCCCC1 ZINC000014879306 211104932 /nfs/dbraw/zinc/10/49/32/211104932.db2.gz MGGLNBUNFQNQIO-UHFFFAOYSA-N 1 0 371.485 2.168 50 0 FEAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](C)CC3)cc1 ZINC000014748619 211100180 /nfs/dbraw/zinc/10/01/80/211100180.db2.gz BCBCIRQBOVGRIP-UHFFFAOYSA-N 1 0 359.470 2.375 50 0 FEAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCOC ZINC000014747440 211099665 /nfs/dbraw/zinc/09/96/65/211099665.db2.gz FVJDJBCXNBHWSF-MRXNPFEDSA-N 1 0 374.485 2.125 50 0 FEAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731673 211053892 /nfs/dbraw/zinc/05/38/92/211053892.db2.gz OZODGFRNNJQOIE-UHFFFAOYSA-N 1 0 357.443 2.064 50 0 FEAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000012865913 211000151 /nfs/dbraw/zinc/00/01/51/211000151.db2.gz QAPCXHUSJBARQH-UAGQMJEPSA-N 1 0 352.500 2.007 50 0 FEAARO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCCCC3)c(=O)c2c1C ZINC000009364197 210829599 /nfs/dbraw/zinc/82/95/99/210829599.db2.gz KDUOWCKEFSSGSV-UHFFFAOYSA-N 1 0 362.499 2.067 50 0 FEAARO CC[NH+](CC)CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O ZINC000006750677 210695980 /nfs/dbraw/zinc/69/59/80/210695980.db2.gz MHCUHOCENQZFJO-UHFFFAOYSA-N 1 0 354.454 2.102 50 0 FEAARO COc1ccc(OC2CCN(C(=O)C[C@@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000077288087 542362542 /nfs/dbraw/zinc/36/25/42/542362542.db2.gz NKDQATRBQFERKQ-MRXNPFEDSA-N 1 0 362.470 2.176 50 0 FEAARO O=C(N[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C[C@H]1O)c1ccncc1 ZINC000077301901 542364000 /nfs/dbraw/zinc/36/40/00/542364000.db2.gz NZLFDLZOZKXKCH-QZTJIDSGSA-N 1 0 351.406 2.193 50 0 FEAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CN1CCCCC1=O ZINC000077342295 542369287 /nfs/dbraw/zinc/36/92/87/542369287.db2.gz GRFYDMNLXUWEII-UHFFFAOYSA-N 1 0 357.498 2.370 50 0 FEAARO COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000077354629 542371372 /nfs/dbraw/zinc/37/13/72/542371372.db2.gz XQOKJMXTXKAWBF-MRXNPFEDSA-N 1 0 354.454 2.401 50 0 FEAARO C[C@H](CN1CC2(CC[NH+](CCOCCO)CC2)OC1=O)c1ccccc1 ZINC000077519200 542391188 /nfs/dbraw/zinc/39/11/88/542391188.db2.gz JNHFGIMTQRZWHK-QGZVFWFLSA-N 1 0 362.470 2.086 50 0 FEAARO O=C(CCCOCc1ccccc1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000077470074 542386169 /nfs/dbraw/zinc/38/61/69/542386169.db2.gz IINOWSUSEZCRMK-OAQYLSRUSA-N 1 0 371.525 2.222 50 0 FEAARO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(C(=O)OC)cc1 ZINC000000781073 210269348 /nfs/dbraw/zinc/26/93/48/210269348.db2.gz IXQLSRYMEQZFRL-MRXNPFEDSA-N 1 0 369.441 2.255 50 0 FEAARO COc1ccc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765392 220396559 /nfs/dbraw/zinc/39/65/59/220396559.db2.gz HYDRQBMFRFOOQO-GOSISDBHSA-N 1 0 359.495 2.475 50 0 FEAARO CC[C@H](C)[N@H+](C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077564480 542397816 /nfs/dbraw/zinc/39/78/16/542397816.db2.gz BFVBRKIEYOVSTM-ZDUSSCGKSA-N 1 0 371.437 2.264 50 0 FEAARO CSc1nccn1-c1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000053450558 221046335 /nfs/dbraw/zinc/04/63/35/221046335.db2.gz BWCCMVPJTDTBDN-UHFFFAOYSA-N 1 0 374.510 2.436 50 0 FEAARO O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000058172323 221102512 /nfs/dbraw/zinc/10/25/12/221102512.db2.gz WFMXPEZWGRPBSY-SFHVURJKSA-N 1 0 371.481 2.050 50 0 FEAARO COc1cc([C@H]2[NH2+]CC[C@]23C(=O)Nc2ccccc23)cc2c1OCCO2 ZINC000062001411 221138095 /nfs/dbraw/zinc/13/80/95/221138095.db2.gz HCBHUGFDFNCLMN-UYAOXDASSA-N 1 0 352.390 2.391 50 0 FEAARO C[N@@H+]1C[C@H](NC(=O)c2cccc(NCc3ccc(F)cc3)c2)C[C@H]1CO ZINC000065397380 221210740 /nfs/dbraw/zinc/21/07/40/221210740.db2.gz BFCSFENLELDISV-MOPGFXCFSA-N 1 0 357.429 2.233 50 0 FEAARO O=C(CC[NH+]1CCC(O)(c2cccnc2)CC1)N1CCc2ccccc2C1 ZINC000065381434 221207931 /nfs/dbraw/zinc/20/79/31/221207931.db2.gz YGDBWTUSGNNHOF-UHFFFAOYSA-N 1 0 365.477 2.340 50 0 FEAARO C[C@H](Cn1cccn1)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065456260 221221657 /nfs/dbraw/zinc/22/16/57/221221657.db2.gz GVFPYCOYGATOTB-CQSZACIVSA-N 1 0 362.861 2.242 50 0 FEAARO CCn1c(CC2CC[NH+](Cc3ccc4nsnc4c3)CC2)n[nH]c1=O ZINC000065491864 221225650 /nfs/dbraw/zinc/22/56/50/221225650.db2.gz IDZCUELTDWSSCU-UHFFFAOYSA-N 1 0 358.471 2.051 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CC[NH2+]CC(=O)NCc2ccccc2F)n1 ZINC000065494311 221226681 /nfs/dbraw/zinc/22/66/81/221226681.db2.gz XTSFCTFIRGNCEP-UHFFFAOYSA-N 1 0 370.350 2.391 50 0 FEAARO Cc1nn(-c2nn[nH]n2)c(C)c1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000067714301 221275384 /nfs/dbraw/zinc/27/53/84/221275384.db2.gz ZXWMEVOKQAEGIP-CYBMUJFWSA-N 1 0 353.430 2.062 50 0 FEAARO COc1ccc2cc(C[N@@H+]3CCCN(C(=O)C4CCC4)CC3)c(=O)[nH]c2c1 ZINC000067713241 221275487 /nfs/dbraw/zinc/27/54/87/221275487.db2.gz NYBYBPSPXXVTQD-UHFFFAOYSA-N 1 0 369.465 2.371 50 0 FEAARO Cc1ccc(C2(O)CC[NH+](CCCOc3ccc(C(N)=O)cc3)CC2)nc1 ZINC000067804678 221288702 /nfs/dbraw/zinc/28/87/02/221288702.db2.gz MSGYYMJLUVWSSE-UHFFFAOYSA-N 1 0 369.465 2.241 50 0 FEAARO CCN(CC)C(=O)N1CCC2(CC1)CN(Cc1cccc(C)n1)CC[N@@H+]2C ZINC000067769727 221283590 /nfs/dbraw/zinc/28/35/90/221283590.db2.gz PLRFMVABAOXVSO-UHFFFAOYSA-N 1 0 373.545 2.434 50 0 FEAARO Cc1cnccc1C[N@@H+](C)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067789206 221285918 /nfs/dbraw/zinc/28/59/18/221285918.db2.gz FJMRTCSKLUCTSE-QFIPXVFZSA-N 1 0 367.493 2.418 50 0 FEAARO CN(Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)no1)Cc1ccccc1 ZINC000067884927 221301870 /nfs/dbraw/zinc/30/18/70/221301870.db2.gz FEOJBJZFGBGRFI-UHFFFAOYSA-N 1 0 356.470 2.474 50 0 FEAARO Cc1cc(C)c(C)c2occ(CC(=O)N3C[C@@H]([NH3+])C[C@H]3C(=O)NC(C)C)c21 ZINC000067851817 221295550 /nfs/dbraw/zinc/29/55/50/221295550.db2.gz YIASFNSISOAVMV-IRXDYDNUSA-N 1 0 371.481 2.353 50 0 FEAARO O=C(N[C@H]1CC[NH2+]C1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000067866940 221296443 /nfs/dbraw/zinc/29/64/43/221296443.db2.gz WQLHUUZDIQVAFW-NSHDSACASA-N 1 0 354.332 2.099 50 0 FEAARO Cc1nc(-c2ccccc2)c(C(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)s1 ZINC000067982419 221312247 /nfs/dbraw/zinc/31/22/47/221312247.db2.gz HGSQIWCMNTUPAI-GJZGRUSLSA-N 1 0 372.494 2.185 50 0 FEAARO COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H](C)O)CC1 ZINC000067895617 221302175 /nfs/dbraw/zinc/30/21/75/221302175.db2.gz GUZNPTMDAYYDHE-AWEZNQCLSA-N 1 0 358.442 2.162 50 0 FEAARO COc1cccc(C[C@@]2(C3CC[NH2+]CC3)NC(=O)N(CC3CCC3)C2=O)c1 ZINC000067947355 221307761 /nfs/dbraw/zinc/30/77/61/221307761.db2.gz OZPOHHYSLAGXHT-NRFANRHFSA-N 1 0 371.481 2.328 50 0 FEAARO CCC1([NH2+]C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000067974430 221311058 /nfs/dbraw/zinc/31/10/58/221311058.db2.gz PLYRUHLJWUFRTR-LJQANCHMSA-N 1 0 350.434 2.220 50 0 FEAARO CC1(C)Cc2ccccc2CN1C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067975652 221312415 /nfs/dbraw/zinc/31/24/15/221312415.db2.gz DKOQJXSQBVPSFH-OAHLLOKOSA-N 1 0 353.470 2.255 50 0 FEAARO CCc1[nH]c2ccc(CNC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2c1C ZINC000071758766 221366212 /nfs/dbraw/zinc/36/62/12/221366212.db2.gz OOFOBHHJIRSXAK-INIZCTEOSA-N 1 0 370.497 2.065 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681766 221353511 /nfs/dbraw/zinc/35/35/11/221353511.db2.gz OGBWEOUBCYTDMN-GOSISDBHSA-N 1 0 356.514 2.380 50 0 FEAARO C[N@@H+]1CC[C@@H](NS(=O)(=O)NCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000071715175 221355204 /nfs/dbraw/zinc/35/52/04/221355204.db2.gz FWIPLWUXFSDROR-VQTJNVASSA-N 1 0 373.522 2.174 50 0 FEAARO Cc1nc(-c2ccc(NC(=O)CCc3cc4n(n3)CCC[NH2+]C4)cc2)n[nH]1 ZINC000072417766 221506670 /nfs/dbraw/zinc/50/66/70/221506670.db2.gz UQMDHJMCRCATPW-UHFFFAOYSA-N 1 0 365.441 2.041 50 0 FEAARO c1sc(-c2ncccn2)nc1CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082161743 542686196 /nfs/dbraw/zinc/68/61/96/542686196.db2.gz VHRVZLLEKJVZAH-AWEZNQCLSA-N 1 0 360.483 2.460 50 0 FEAARO Cc1cc(N2CCN(C(=O)CCn3nnc4ccccc43)CC2)cc(C)[nH+]1 ZINC000077338568 132181366 /nfs/dbraw/zinc/18/13/66/132181366.db2.gz NPVOWVNXJMDIBV-UHFFFAOYSA-N 1 0 364.453 2.182 50 0 FEAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000089313994 132199846 /nfs/dbraw/zinc/19/98/46/132199846.db2.gz XOSMGDBXDMIMDM-HZPDHXFCSA-N 1 0 359.470 2.181 50 0 FEAARO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1nc(-c2ccncc2)no1 ZINC000095498367 132211955 /nfs/dbraw/zinc/21/19/55/132211955.db2.gz HFFSPBIWVVSVTC-ZDUSSCGKSA-N 1 0 351.414 2.241 50 0 FEAARO CCCc1cc(N2CCC([NH2+][C@H]3COC[C@@H]3N3CCCC3)CC2)nc(C)n1 ZINC000096137571 132220155 /nfs/dbraw/zinc/22/01/55/132220155.db2.gz QPZRRXSQTCXHMD-PMACEKPBSA-N 1 0 373.545 2.159 50 0 FEAARO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000109070708 132306661 /nfs/dbraw/zinc/30/66/61/132306661.db2.gz KHFYVWQTVBXMDX-GOSISDBHSA-N 1 0 353.470 2.072 50 0 FEAARO CN(C)C(=O)CSc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000089314020 542760810 /nfs/dbraw/zinc/76/08/10/542760810.db2.gz HVHGFHYKPUJSLH-GJZGRUSLSA-N 1 0 363.527 2.470 50 0 FEAARO COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccn4)CC3)cc2c1 ZINC000000860513 132379009 /nfs/dbraw/zinc/37/90/09/132379009.db2.gz CWQUBKLMINJBAS-UHFFFAOYSA-N 1 0 365.389 2.159 50 0 FEAARO CC[C@H]1Oc2ccccc2N(CC(=O)NCCC[NH+]2CCC(C)CC2)C1=O ZINC000002934251 132384463 /nfs/dbraw/zinc/38/44/63/132384463.db2.gz NBILHXUPEFOCQE-GOSISDBHSA-N 1 0 373.497 2.429 50 0 FEAARO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000089573860 542764613 /nfs/dbraw/zinc/76/46/13/542764613.db2.gz UKBVRZMVHKMLKK-AZCLRUCKSA-N 1 0 374.504 2.396 50 0 FEAARO [NH3+][C@@H]1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)[nH]c2=O)C1 ZINC000091411093 542805994 /nfs/dbraw/zinc/80/59/94/542805994.db2.gz DEJABXGRJUVDPT-LLVKDONJSA-N 1 0 353.209 2.329 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1[nH]nc(C)c1C)CC2 ZINC000091411950 542806149 /nfs/dbraw/zinc/80/61/49/542806149.db2.gz HJXHZRNVGPINIH-UHFFFAOYSA-N 1 0 370.501 2.078 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2cnn(C)c2)C3)cc1 ZINC000091425989 542807193 /nfs/dbraw/zinc/80/71/93/542807193.db2.gz YYAYZDOQUQBOOT-FUHWJXTLSA-N 1 0 354.454 2.165 50 0 FEAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cc(=O)c3cc(C)ccc3[nH]1)C2 ZINC000091320515 542804476 /nfs/dbraw/zinc/80/44/76/542804476.db2.gz JDBIVXKXBMFJFN-FUHWJXTLSA-N 1 0 355.482 2.379 50 0 FEAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccccn1)CC2 ZINC000091644586 542817951 /nfs/dbraw/zinc/81/79/51/542817951.db2.gz IEJJPSDRZVHMKB-UHFFFAOYSA-N 1 0 365.481 2.481 50 0 FEAARO CCn1c2ccccc2nc1CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091468571 542809443 /nfs/dbraw/zinc/80/94/43/542809443.db2.gz QWPGCAPQGHOHKC-NRFANRHFSA-N 1 0 369.513 2.185 50 0 FEAARO CCc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)[nH]1 ZINC000091829217 542827388 /nfs/dbraw/zinc/82/73/88/542827388.db2.gz AGLDJMIGDPQFPY-KRWDZBQOSA-N 1 0 372.513 2.126 50 0 FEAARO Cc1ccc(-c2ncc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)c(=O)[nH]2)cc1 ZINC000091807369 542826896 /nfs/dbraw/zinc/82/68/96/542826896.db2.gz RDOQAISUPBPECS-HNNXBMFYSA-N 1 0 366.465 2.444 50 0 FEAARO Cc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3S(C)(=O)=O)cc1 ZINC000091859870 542829029 /nfs/dbraw/zinc/82/90/29/542829029.db2.gz ONUWFWOUZABDRC-UHFFFAOYSA-N 1 0 374.510 2.027 50 0 FEAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCC(N)=O)CC2)C1 ZINC000091860201 542829228 /nfs/dbraw/zinc/82/92/28/542829228.db2.gz JBCCETXTFOEYHA-SFHVURJKSA-N 1 0 357.498 2.370 50 0 FEAARO CC[C@H]1CN(C(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)CC[NH2+]1 ZINC000091892704 542829773 /nfs/dbraw/zinc/82/97/73/542829773.db2.gz ARFJXFNESYTAFB-IIFATDLDSA-N 1 0 370.497 2.062 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1cccn1)CC2 ZINC000091896790 542831154 /nfs/dbraw/zinc/83/11/54/542831154.db2.gz APVLBQMXFUQXOZ-UHFFFAOYSA-N 1 0 370.501 2.028 50 0 FEAARO COc1cccc(-c2cccc(C[N@@H+]3CCN(C(C)=O)C[C@H](O)C3)c2)c1 ZINC000092062197 542842264 /nfs/dbraw/zinc/84/22/64/542842264.db2.gz QWUYNAKUJOGGSE-HXUWFJFHSA-N 1 0 354.450 2.387 50 0 FEAARO COc1ccc(F)cc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000091914745 542832397 /nfs/dbraw/zinc/83/23/97/542832397.db2.gz XKWDMYHWJJIABY-UHFFFAOYSA-N 1 0 350.434 2.031 50 0 FEAARO O=C(Cc1cccc(Cl)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092022349 542838344 /nfs/dbraw/zinc/83/83/44/542838344.db2.gz OYEYPDXKTSHHEE-IAGOWNOFSA-N 1 0 350.890 2.435 50 0 FEAARO CCN1CC2(CCN(C(=O)C[NH+](C)C)CC2)C[C@H](c2ccccc2)C1=O ZINC000092045955 542841044 /nfs/dbraw/zinc/84/10/44/542841044.db2.gz IVOQXPZMVXZIFH-GOSISDBHSA-N 1 0 357.498 2.193 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)n(C)n1 ZINC000092078507 542843714 /nfs/dbraw/zinc/84/37/14/542843714.db2.gz CGKBTQCYUMHWQX-UHFFFAOYSA-N 1 0 370.501 2.097 50 0 FEAARO CCCc1nc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000067655050 136137222 /nfs/dbraw/zinc/13/72/22/136137222.db2.gz QQEPZZJBFZLVJM-UHFFFAOYSA-N 1 0 359.499 2.172 50 0 FEAARO Cc1c(O)cccc1C(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095372670 542963014 /nfs/dbraw/zinc/96/30/14/542963014.db2.gz LTJJEXLMCCZTNB-INIZCTEOSA-N 1 0 356.470 2.479 50 0 FEAARO CC[C@H]1CN(c2nc(-c3cccnc3)nc3c2CNC3)CC[N@@H+]1C(C)C ZINC000072129246 136142169 /nfs/dbraw/zinc/14/21/69/136142169.db2.gz YNYQKTGDUDZPFC-INIZCTEOSA-N 1 0 352.486 2.451 50 0 FEAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[N@@H+]4CCCC[C@@H]4C3)c12 ZINC000072408385 136145395 /nfs/dbraw/zinc/14/53/95/136145395.db2.gz JMBLYROKVXBRCA-OAHLLOKOSA-N 1 0 363.469 2.408 50 0 FEAARO Cc1noc2ncnc(N3CC[N@H+](Cc4cccs4)[C@H](CCO)C3)c12 ZINC000072430822 136146879 /nfs/dbraw/zinc/14/68/79/136146879.db2.gz PYTCFTXFGKTZKC-CYBMUJFWSA-N 1 0 359.455 2.061 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000094870874 542955930 /nfs/dbraw/zinc/95/59/30/542955930.db2.gz ZDCAFSNKHTZQCO-SNVBAGLBSA-N 1 0 367.334 2.439 50 0 FEAARO Cc1occc1C(=O)N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095373247 542964052 /nfs/dbraw/zinc/96/40/52/542964052.db2.gz LUXBXCDFQOIONK-FQEVSTJZSA-N 1 0 359.470 2.137 50 0 FEAARO Cc1ncsc1C[N@H+]1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095352380 542957650 /nfs/dbraw/zinc/95/76/50/542957650.db2.gz JATOTOHDLAXVJS-AWEZNQCLSA-N 1 0 357.487 2.204 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCN(CCn2cccc2)CC1 ZINC000095362901 542959788 /nfs/dbraw/zinc/95/97/88/542959788.db2.gz KWSYBFOZMCVONM-IBGZPJMESA-N 1 0 358.530 2.287 50 0 FEAARO O=C(N1CCCC1)N1CC[C@]2(O)CC[N@H+](C3Cc4ccccc4C3)C[C@@H]2C1 ZINC000095360877 542960067 /nfs/dbraw/zinc/96/00/67/542960067.db2.gz UDDQNEOESDLEDI-DENIHFKCSA-N 1 0 369.509 2.128 50 0 FEAARO CC(C)n1ccnc1CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095379685 542964750 /nfs/dbraw/zinc/96/47/50/542964750.db2.gz YSTRASOCCHCGBD-NRFANRHFSA-N 1 0 373.545 2.373 50 0 FEAARO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc(C)c(C)cc3C)C[C@@H]2C1 ZINC000095392055 542967861 /nfs/dbraw/zinc/96/78/61/542967861.db2.gz BRVULRXNDZOEOY-TZIWHRDSSA-N 1 0 360.498 2.044 50 0 FEAARO COc1cc(F)ccc1[C@H](C(=O)[O-])[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000095392467 542967927 /nfs/dbraw/zinc/96/79/27/542967927.db2.gz KVHQJLHLQYIRGR-GOSISDBHSA-N 1 0 366.433 2.004 50 0 FEAARO CC(C)Cc1nc(CN[C@H](CN2CC[NH+](C)CC2)c2ccccc2)no1 ZINC000095462570 542971659 /nfs/dbraw/zinc/97/16/59/542971659.db2.gz JLGXJFDNZVCZDD-GOSISDBHSA-N 1 0 357.502 2.346 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000095460998 542972072 /nfs/dbraw/zinc/97/20/72/542972072.db2.gz PBERRHWTZXJCNO-INIZCTEOSA-N 1 0 360.506 2.337 50 0 FEAARO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)cc1C ZINC000095496570 542973407 /nfs/dbraw/zinc/97/34/07/542973407.db2.gz UVEWFQIPVVXZSO-RTWAWAEBSA-N 1 0 373.541 2.154 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1 ZINC000095479449 542973509 /nfs/dbraw/zinc/97/35/09/542973509.db2.gz DISANZGFEWAPDF-AWEZNQCLSA-N 1 0 358.442 2.308 50 0 FEAARO NC(=O)Cn1ccnc1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000095499937 542974316 /nfs/dbraw/zinc/97/43/16/542974316.db2.gz KHEJFHWMYRKKLW-UHFFFAOYSA-N 1 0 364.396 2.349 50 0 FEAARO Cc1cccc(OCC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)c1C ZINC000095519172 542979107 /nfs/dbraw/zinc/97/91/07/542979107.db2.gz DZTOHPXUPNDEGF-FQEVSTJZSA-N 1 0 368.477 2.388 50 0 FEAARO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H](O)c2ccc(O)cc2)c1 ZINC000110542539 543360636 /nfs/dbraw/zinc/36/06/36/543360636.db2.gz LHMBBLYSXFOQBR-VIZZQPHQSA-N 1 0 359.422 2.046 50 0 FEAARO Cc1nc(-c2cn(C[C@H]3CCC[NH2+]C3)nn2)n(C2Cc3ccccc3C2)n1 ZINC000096165936 222066413 /nfs/dbraw/zinc/06/64/13/222066413.db2.gz MZIRBHWBTRODCZ-HNNXBMFYSA-N 1 0 363.469 2.185 50 0 FEAARO CC[C@@H]1CN(C(=O)c2ccc(NCCn3cccn3)nc2)CC[N@@H+]1C(C)C ZINC000096416633 222119629 /nfs/dbraw/zinc/11/96/29/222119629.db2.gz BANWUPDTUJLIAL-GOSISDBHSA-N 1 0 370.501 2.335 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)Nc2ccc(-c3ccco3)cc2)C1 ZINC000097546669 222190140 /nfs/dbraw/zinc/19/01/40/222190140.db2.gz KPBTWKSTSKLLIU-OAHLLOKOSA-N 1 0 356.426 2.265 50 0 FEAARO CCN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000097657389 222202825 /nfs/dbraw/zinc/20/28/25/222202825.db2.gz XWBLYMHHKRZJNS-CYBMUJFWSA-N 1 0 369.868 2.238 50 0 FEAARO Cc1ccsc1[C@H](CNC(=O)c1ccnc(-n2cnnc2)c1)[NH+](C)C ZINC000097675457 222204591 /nfs/dbraw/zinc/20/45/91/222204591.db2.gz NTGKZRLNPJDOBZ-AWEZNQCLSA-N 1 0 356.455 2.065 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC(=O)Nc2ccccc21 ZINC000097730269 222209620 /nfs/dbraw/zinc/20/96/20/222209620.db2.gz CAZAUWBHRJFYJS-SFHVURJKSA-N 1 0 364.449 2.288 50 0 FEAARO COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc(Cl)c1OCC(=O)[O-] ZINC000097773076 222210951 /nfs/dbraw/zinc/21/09/51/222210951.db2.gz NVNKWBXGEBEGPK-UHFFFAOYSA-N 1 0 368.861 2.388 50 0 FEAARO COCCN(Cc1ccccc1C)C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000097819513 222214551 /nfs/dbraw/zinc/21/45/51/222214551.db2.gz FETNVNUYFWRNRF-FQEVSTJZSA-N 1 0 359.514 2.186 50 0 FEAARO COc1cccc2ccc(C[NH+]3CCC(c4nnc(CO)n4C)CC3)nc21 ZINC000097814916 222214582 /nfs/dbraw/zinc/21/45/82/222214582.db2.gz VOHACKBEQSCDRU-UHFFFAOYSA-N 1 0 367.453 2.244 50 0 FEAARO Cc1nnnn1Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000097823146 222216177 /nfs/dbraw/zinc/21/61/77/222216177.db2.gz SJJNXLPNNQWPBP-UHFFFAOYSA-N 1 0 368.485 2.120 50 0 FEAARO COc1ccc(CN2CCN(Cc3cccnc3)C[C@H]2CCO)c(F)c1 ZINC000104389373 222356791 /nfs/dbraw/zinc/35/67/91/222356791.db2.gz PVCJXCIEFJBAKW-GOSISDBHSA-N 1 0 359.445 2.298 50 0 FEAARO COc1cc(OC)c(OC)cc1CN1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000104386190 222357745 /nfs/dbraw/zinc/35/77/45/222357745.db2.gz WMMJLMXYDJUCCJ-QGZVFWFLSA-N 1 0 366.502 2.237 50 0 FEAARO OCCOc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000104499867 222359089 /nfs/dbraw/zinc/35/90/89/222359089.db2.gz BJPPVWQOHBTAJX-OAQYLSRUSA-N 1 0 370.493 2.127 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)CC1 ZINC000104533234 222360012 /nfs/dbraw/zinc/36/00/12/222360012.db2.gz HVTVBJZHBBNINR-QGZVFWFLSA-N 1 0 374.554 2.259 50 0 FEAARO Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426386900 263571845 /nfs/dbraw/zinc/57/18/45/263571845.db2.gz MUJLOCIHRBXDIT-UHFFFAOYSA-N 1 0 350.850 2.332 50 0 FEAARO Cc1nc(CNC(=O)c2cc(F)ccc2OCC[NH3+])nc2c1CCCC2 ZINC000426697632 263659722 /nfs/dbraw/zinc/65/97/22/263659722.db2.gz ZKALSANSJPVTSZ-UHFFFAOYSA-N 1 0 358.417 2.070 50 0 FEAARO CS(=O)(=O)N(CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)Cc1ccccc1 ZINC000191952907 328290253 /nfs/dbraw/zinc/29/02/53/328290253.db2.gz WAVOYWIDEUNFKZ-KRWDZBQOSA-N 1 0 362.499 2.051 50 0 FEAARO C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2Nc2ccccc2F)CCO1 ZINC000116785924 326035338 /nfs/dbraw/zinc/03/53/38/326035338.db2.gz QHDFGCGMQASMHS-CQSZACIVSA-N 1 0 358.417 2.367 50 0 FEAARO CC(C)=CC[N@@H+]1CCN(Cc2cccn2-c2ncccn2)C[C@@H]1CCO ZINC000020542853 519428025 /nfs/dbraw/zinc/42/80/25/519428025.db2.gz NJOCPEWZAWYBAN-SFHVURJKSA-N 1 0 355.486 2.102 50 0 FEAARO CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000079350675 519506435 /nfs/dbraw/zinc/50/64/35/519506435.db2.gz WOORYFIOLJPEMO-FQEVSTJZSA-N 1 0 357.498 2.416 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNc3nnnn3-c3ccccc3)cc2C1 ZINC000082121600 519723116 /nfs/dbraw/zinc/72/31/16/519723116.db2.gz VIMDLOWOSXJXCJ-UHFFFAOYSA-N 1 0 366.473 2.333 50 0 FEAARO CC(C)c1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)n(C)n1 ZINC000082087735 519831448 /nfs/dbraw/zinc/83/14/48/519831448.db2.gz BJYZTHGFLHBHJJ-MRXNPFEDSA-N 1 0 361.534 2.032 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2nnc(C)n2C1)c1ccsc1 ZINC000089967772 520867072 /nfs/dbraw/zinc/86/70/72/520867072.db2.gz LLSLCJLTBKDMOH-GOEBONIOSA-N 1 0 361.515 2.410 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C(N)=O)c2)C1 ZINC000178999925 522055549 /nfs/dbraw/zinc/05/55/49/522055549.db2.gz RKUYOTATPMDBHQ-INIZCTEOSA-N 1 0 367.449 2.046 50 0 FEAARO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc(OC)c1Br ZINC000153170242 522095920 /nfs/dbraw/zinc/09/59/20/522095920.db2.gz CBYZGQSAPZRRDZ-AOOOYVTPSA-N 1 0 357.248 2.289 50 0 FEAARO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c(OC)c1 ZINC000247998252 522144197 /nfs/dbraw/zinc/14/41/97/522144197.db2.gz RDTJWSYPNJHDND-BMFZPTHFSA-N 1 0 351.443 2.390 50 0 FEAARO C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)C1 ZINC000151036815 522494931 /nfs/dbraw/zinc/49/49/31/522494931.db2.gz DIBPFKRUOVRJCM-ZDUSSCGKSA-N 1 0 363.259 2.459 50 0 FEAARO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000020100522 522907085 /nfs/dbraw/zinc/90/70/85/522907085.db2.gz LEKJZZFZLMRPGQ-UHFFFAOYSA-N 1 0 362.445 2.449 50 0 FEAARO COCC[NH+]1CCC(C(=O)N2CCC[C@@](CO)(CC=C(C)C)C2)CC1 ZINC000091690633 523812609 /nfs/dbraw/zinc/81/26/09/523812609.db2.gz FJWCFPKUPLVDLM-HXUWFJFHSA-N 1 0 352.519 2.302 50 0 FEAARO C[NH+]1CCN([C@@H](CNC(=O)c2cccs2)c2ccc3c(c2)OCO3)CC1 ZINC000020614306 523917786 /nfs/dbraw/zinc/91/77/86/523917786.db2.gz GLHPUMMNJGOTBW-HNNXBMFYSA-N 1 0 373.478 2.195 50 0 FEAARO COc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000089478807 524074024 /nfs/dbraw/zinc/07/40/24/524074024.db2.gz NJQSDFAVLLPDMK-ZDUSSCGKSA-N 1 0 372.421 2.227 50 0 FEAARO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000246636971 524146473 /nfs/dbraw/zinc/14/64/73/524146473.db2.gz RVUDBEBEBYSRMS-KMOPNRPKSA-N 1 0 361.530 2.355 50 0 FEAARO COc1ccccc1-n1nc(C)nc1-c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000244874504 524307712 /nfs/dbraw/zinc/30/77/12/524307712.db2.gz XCKYFWNMDQKBQE-OKILXGFUSA-N 1 0 353.430 2.285 50 0 FEAARO Cc1ccc(OCC(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1 ZINC000082108487 525380314 /nfs/dbraw/zinc/38/03/14/525380314.db2.gz IRYYUVBSBOMQCU-GOSISDBHSA-N 1 0 359.514 2.248 50 0 FEAARO O=C(NC[C@H](O)C[NH+]1CCCCCC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000299785332 526572293 /nfs/dbraw/zinc/57/22/93/526572293.db2.gz YEISPDFCKKAUEP-SFHVURJKSA-N 1 0 374.485 2.172 50 0 FEAARO O=C(CCc1ccc2c(c1)OCO2)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000216522999 526597870 /nfs/dbraw/zinc/59/78/70/526597870.db2.gz WFVILFAMTPBOOO-KRWDZBQOSA-N 1 0 360.454 2.061 50 0 FEAARO O=C(COc1ccccc1Cl)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091664173 526989825 /nfs/dbraw/zinc/98/98/25/526989825.db2.gz LWIBDTWPNYVDHD-HZPDHXFCSA-N 1 0 366.889 2.272 50 0 FEAARO O=C1NC[C@H](C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)O1 ZINC000091416429 527077727 /nfs/dbraw/zinc/07/77/27/527077727.db2.gz WDUOIHKYYIVVOR-WEBJUUICSA-N 1 0 369.465 2.123 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCSCc3ccccc3)nn2)CC1 ZINC000244899961 527414415 /nfs/dbraw/zinc/41/44/15/527414415.db2.gz ZTPDFWHSMFEVKW-IYBDPMFKSA-N 1 0 359.499 2.384 50 0 FEAARO Cc1nn(CC(=O)NCC[NH+](C)C)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602528 527702140 /nfs/dbraw/zinc/70/21/40/527702140.db2.gz LQFQVKZJPMETOT-UHFFFAOYSA-N 1 0 369.391 2.314 50 0 FEAARO CCc1cnc(C)nc1N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000071714670 536019441 /nfs/dbraw/zinc/01/94/41/536019441.db2.gz DSQZDCDLGUYTTC-UHFFFAOYSA-N 1 0 371.529 2.307 50 0 FEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071730483 536144504 /nfs/dbraw/zinc/14/45/04/536144504.db2.gz UCIAZBHMOPYKFJ-QGZVFWFLSA-N 1 0 371.529 2.342 50 0 FEAARO C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CC23CCCCC3)CC1 ZINC000180316993 547083400 /nfs/dbraw/zinc/08/34/00/547083400.db2.gz WMQGNYVGQXZULS-KRWDZBQOSA-N 1 0 357.502 2.355 50 0 FEAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000215283887 548669522 /nfs/dbraw/zinc/66/95/22/548669522.db2.gz RQBYVVVMLXSNAB-SFHVURJKSA-N 1 0 350.426 2.207 50 0 FEAARO CCn1ccc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)cc1=O ZINC000215297163 548670001 /nfs/dbraw/zinc/67/00/01/548670001.db2.gz OPUNMWBAAYASJX-GOSISDBHSA-N 1 0 354.454 2.220 50 0 FEAARO Cn1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=O ZINC000216115206 548675467 /nfs/dbraw/zinc/67/54/67/548675467.db2.gz ARLVLOBSVNKWIS-UHFFFAOYSA-N 1 0 359.857 2.433 50 0 FEAARO Cn1c(CO)nnc1C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000216331404 548677049 /nfs/dbraw/zinc/67/70/49/548677049.db2.gz QMYFIPVBMFTULO-UHFFFAOYSA-N 1 0 370.482 2.206 50 0 FEAARO c1cc(CN2CC[NH+](C3CCCC3)CC2)cc(OCCN2CCOCC2)c1 ZINC000218996927 548691401 /nfs/dbraw/zinc/69/14/01/548691401.db2.gz IIVGIOGYTBBNFB-UHFFFAOYSA-N 1 0 373.541 2.458 50 0 FEAARO CSc1ccccc1C(=O)N1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000221157055 548702504 /nfs/dbraw/zinc/70/25/04/548702504.db2.gz WSZPFLHPVPPGPT-QGZVFWFLSA-N 1 0 374.510 2.246 50 0 FEAARO Cc1nc2ccc(C(=O)N[C@@H]3COCC[C@@H]3OCC[NH+](C)C)cc2s1 ZINC000223413994 548719653 /nfs/dbraw/zinc/71/96/53/548719653.db2.gz RZQURBSISCDDFZ-CVEARBPZSA-N 1 0 363.483 2.070 50 0 FEAARO COc1ccccc1/C=C/CN1CCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223622230 548721716 /nfs/dbraw/zinc/72/17/16/548721716.db2.gz JKFQCVJRBLLLSZ-FNQPIQQGSA-N 1 0 356.470 2.016 50 0 FEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc2nsnc2c1 ZINC000225562917 548738072 /nfs/dbraw/zinc/73/80/72/548738072.db2.gz GKTGWHZBDKREEV-UHFFFAOYSA-N 1 0 360.483 2.312 50 0 FEAARO CN(C)c1n[nH]c(C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)n1 ZINC000225844619 548744512 /nfs/dbraw/zinc/74/45/12/548744512.db2.gz KNXGSBMMDQCKKR-UHFFFAOYSA-N 1 0 352.442 2.092 50 0 FEAARO CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236642953 548770181 /nfs/dbraw/zinc/77/01/81/548770181.db2.gz GWIMGMBMLXORJB-GOSISDBHSA-N 1 0 369.469 2.195 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000236790363 548780348 /nfs/dbraw/zinc/78/03/48/548780348.db2.gz VPATVNNJMMXLLR-QAPCUYQASA-N 1 0 356.470 2.312 50 0 FEAARO CCOc1c(Br)cc(C[NH2+]CC2(O)CCOCC2)cc1OC ZINC000237020126 548794840 /nfs/dbraw/zinc/79/48/40/548794840.db2.gz DGQGRGXMQGRCHN-UHFFFAOYSA-N 1 0 374.275 2.488 50 0 FEAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000237279235 548814891 /nfs/dbraw/zinc/81/48/91/548814891.db2.gz KPABNIUCFAJRFW-MRVPVSSYSA-N 1 0 369.231 2.100 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000237320686 548817446 /nfs/dbraw/zinc/81/74/46/548817446.db2.gz DJGVXSHSIJJXMV-LLVKDONJSA-N 1 0 352.378 2.205 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000237360915 548821620 /nfs/dbraw/zinc/82/16/20/548821620.db2.gz BMFNVJIQZWIONK-NEPJUHHUSA-N 1 0 350.850 2.069 50 0 FEAARO Cc1nc(C(=O)N2CCC[NH2+]CC2)nn1-c1c(Cl)cccc1Cl ZINC000237826748 548856141 /nfs/dbraw/zinc/85/61/41/548856141.db2.gz KBQPEVAGKULPRJ-UHFFFAOYSA-N 1 0 354.241 2.318 50 0 FEAARO O=C(CSCC[NH+]1CCCC1)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000244641248 548891800 /nfs/dbraw/zinc/89/18/00/548891800.db2.gz GMFRKKFGLDCTJK-IBGZPJMESA-N 1 0 363.527 2.183 50 0 FEAARO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCS(=O)(=O)N(C)C)C3)nc2c1 ZINC000244778685 548895423 /nfs/dbraw/zinc/89/54/23/548895423.db2.gz PUWGXTJCFBQNKQ-HNNXBMFYSA-N 1 0 364.515 2.332 50 0 FEAARO O=C(COC[C@H]1CCCCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000244831502 548896358 /nfs/dbraw/zinc/89/63/58/548896358.db2.gz UESLWWICTQTINE-LJQANCHMSA-N 1 0 364.461 2.492 50 0 FEAARO CN(C)c1cccc(NC(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)c1 ZINC000244872897 548897343 /nfs/dbraw/zinc/89/73/43/548897343.db2.gz WGNNIWYAIFYSDI-UHFFFAOYSA-N 1 0 359.518 2.434 50 0 FEAARO COc1cc(CCC(=O)N[C@H]([C@H]2C[C@@H](O)C2)C2CC[NH2+]CC2)ccc1C ZINC000244873365 548897945 /nfs/dbraw/zinc/89/79/45/548897945.db2.gz WOXPCDNWJJKORR-UEXGIBASSA-N 1 0 360.498 2.192 50 0 FEAARO O=C([C@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248010831 549400273 /nfs/dbraw/zinc/40/02/73/549400273.db2.gz VJYMUVVCMIOVDV-DOTOQJQBSA-N 1 0 363.408 2.014 50 0 FEAARO Cn1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cn1 ZINC000249315199 549579852 /nfs/dbraw/zinc/57/98/52/549579852.db2.gz PHWFWRUORUFADR-JKSUJKDBSA-N 1 0 366.387 2.347 50 0 FEAARO CCc1nccn1CC[NH+]1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000252505530 549670939 /nfs/dbraw/zinc/67/09/39/549670939.db2.gz VSECAQOCGIOJIL-UHFFFAOYSA-N 1 0 370.497 2.483 50 0 FEAARO CCN(CC)C(=O)N1CCC(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000252503513 549671305 /nfs/dbraw/zinc/67/13/05/549671305.db2.gz VEDYYGMLVAYSJY-UHFFFAOYSA-N 1 0 364.534 2.152 50 0 FEAARO Nc1nc(NCCOc2cccc3cccnc32)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252569004 549674144 /nfs/dbraw/zinc/67/41/44/549674144.db2.gz VTRDBVKMUOLNQN-OKILXGFUSA-N 1 0 351.410 2.336 50 0 FEAARO O=C(NC1CCCC1)[C@H]1CCC[N@H+](Cc2ccncc2)CCC(=O)NCC1 ZINC000257183069 549713495 /nfs/dbraw/zinc/71/34/95/549713495.db2.gz QTMWDKNKIKQCFE-SFHVURJKSA-N 1 0 372.513 2.249 50 0 FEAARO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262304440 549808431 /nfs/dbraw/zinc/80/84/31/549808431.db2.gz ATBOLAZVFDKBDR-VYDXJSESSA-N 1 0 356.470 2.046 50 0 FEAARO C[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H](c3cccnc3)C2)CC[N@@H+](C2CC2)C1 ZINC000297686832 553325032 /nfs/dbraw/zinc/32/50/32/553325032.db2.gz XKLCEZVQCIAUGG-VDZJLULYSA-N 1 0 358.486 2.427 50 0 FEAARO C[N@@H+]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000330118461 554067718 /nfs/dbraw/zinc/06/77/18/554067718.db2.gz YPCRENMTVCUDRI-UHFFFAOYSA-N 1 0 361.461 2.423 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426503497 559736046 /nfs/dbraw/zinc/73/60/46/559736046.db2.gz LTXBBSUCYGAMLU-KRWDZBQOSA-N 1 0 356.470 2.037 50 0 FEAARO Cc1cccc(=O)n1CCC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000426504447 559736099 /nfs/dbraw/zinc/73/60/99/559736099.db2.gz GQLRLMHGMNVONB-UHFFFAOYSA-N 1 0 367.493 2.327 50 0 FEAARO COc1cncc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)c2)c1 ZINC000426514943 559736526 /nfs/dbraw/zinc/73/65/26/559736526.db2.gz ZWFXQLCKFYHXPD-MRXNPFEDSA-N 1 0 369.465 2.191 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000426527917 559737002 /nfs/dbraw/zinc/73/70/02/559737002.db2.gz OGWKPXSHWJUCKY-CQSZACIVSA-N 1 0 350.459 2.046 50 0 FEAARO COc1ccc(CN(C(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)C2CC2)cc1 ZINC000426551304 559737591 /nfs/dbraw/zinc/73/75/91/559737591.db2.gz NZEZNIAHCJUQEB-GOSISDBHSA-N 1 0 361.486 2.216 50 0 FEAARO C[C@@H](Sc1nnc(C2CC[NH2+]CC2)n1C)C(=O)NCc1ccccc1 ZINC000426662327 559739674 /nfs/dbraw/zinc/73/96/74/559739674.db2.gz SVLRLUKSORPDQX-CYBMUJFWSA-N 1 0 359.499 2.079 50 0 FEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NCc1cnn2cccnc12 ZINC000426701488 559740623 /nfs/dbraw/zinc/74/06/23/559740623.db2.gz VLYUQUGAJIASAE-UHFFFAOYSA-N 1 0 359.817 2.040 50 0 FEAARO CC(C)CN(Cc1cccnc1)C(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426739559 559741277 /nfs/dbraw/zinc/74/12/77/559741277.db2.gz AUQNCUYMEGLOPW-GOSISDBHSA-N 1 0 355.486 2.430 50 0 FEAARO Cc1csc(-c2cccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C3CC3)c2)n1 ZINC000461899470 560786980 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FEAARO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C(=O)N1CCc2ccccc21 ZINC000083927589 571060655 /nfs/dbraw/zinc/06/06/55/571060655.db2.gz LBRPZIHSAFXTEH-FUHWJXTLSA-N 1 0 370.497 2.234 50 0 FEAARO CC[N@H+](CCCNC(=O)C(F)(F)F)CC(=O)Nc1cccc(OC)c1 ZINC000084774729 571099579 /nfs/dbraw/zinc/09/95/79/571099579.db2.gz JEFBPBUYPCHZCS-UHFFFAOYSA-N 1 0 361.364 2.024 50 0 FEAARO C[N@H+](Cc1ccccc1)C1CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 ZINC000426397619 571136413 /nfs/dbraw/zinc/13/64/13/571136413.db2.gz QWMPFGLHDVLGSV-QGZVFWFLSA-N 1 0 367.497 2.664 50 0 FEAARO COc1ccc(Cn2nc(C)cc2NC(=O)N2CCC[NH2+]CC2)cc1OC ZINC000426397655 571219577 /nfs/dbraw/zinc/21/95/77/571219577.db2.gz WRDGKLRGIPKACL-UHFFFAOYSA-N 1 0 373.457 2.084 50 0 FEAARO COc1ccccc1C1CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000584887213 571313948 /nfs/dbraw/zinc/31/39/48/571313948.db2.gz DXSGWTXXKQNNEU-UHFFFAOYSA-N 1 0 361.486 2.041 50 0 FEAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCOc2ccc(CO)cc2C1 ZINC000584898072 571315805 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CN1CC[N@H+](CCCNC(=O)NCC(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000229768101 210179047 /nfs/dbraw/zinc/17/90/47/210179047.db2.gz XEFAOJMOWHSNQH-OAHLLOKOSA-N 1 0 358.408 2.227 50 0 FEAARO CC[NH+](CC)CCNC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000004681487 539390262 /nfs/dbraw/zinc/39/02/62/539390262.db2.gz RMOYPUQHCLSKPN-UHFFFAOYSA-N 1 0 355.866 2.062 50 0 FEAARO C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1CN(C1CCCCC1)CC2 ZINC000005207455 539405518 /nfs/dbraw/zinc/40/55/18/539405518.db2.gz FJEWFWIDLDMVFF-UHFFFAOYSA-N 1 0 357.506 2.204 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc(OC)c(OC)c2OC)[nH]1 ZINC000005352815 539409191 /nfs/dbraw/zinc/40/91/91/539409191.db2.gz KHIPZNAGQZSOMP-GFCCVEGCSA-N 1 0 361.442 2.408 50 0 FEAARO Cc1c(O[C@H](C)C(=O)NCCC[NH+](C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000006660131 539432792 /nfs/dbraw/zinc/43/27/92/539432792.db2.gz RNEJENQANFIOKH-CQSZACIVSA-N 1 0 372.465 2.425 50 0 FEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000006805366 539438226 /nfs/dbraw/zinc/43/82/26/539438226.db2.gz POBVLAGIXZIADJ-HNNXBMFYSA-N 1 0 354.454 2.433 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000006865306 539439776 /nfs/dbraw/zinc/43/97/76/539439776.db2.gz AVOMLJMSMNSXCT-SFHVURJKSA-N 1 0 365.433 2.092 50 0 FEAARO Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH2+]C(C)(C)C ZINC000007984325 539473972 /nfs/dbraw/zinc/47/39/72/539473972.db2.gz MJJQOAUUMLIGNC-UHFFFAOYSA-N 1 0 356.264 2.200 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010544211 539518923 /nfs/dbraw/zinc/51/89/23/539518923.db2.gz FSHFUNHMMDENCO-HNNXBMFYSA-N 1 0 368.499 2.391 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000011769378 539535297 /nfs/dbraw/zinc/53/52/97/539535297.db2.gz VBQXZVSUTNQDHX-AWEZNQCLSA-N 1 0 361.511 2.343 50 0 FEAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC[C@H](C)O)CC2)CC1 ZINC000011839354 539536212 /nfs/dbraw/zinc/53/62/12/539536212.db2.gz DOQCYPOUYZKWSN-SFHVURJKSA-N 1 0 373.541 2.168 50 0 FEAARO COc1ccccc1[C@@H]1[NH+]=C(N2CCCCC2)Nc2nc(C)cc(=O)n21 ZINC000101391960 210086067 /nfs/dbraw/zinc/08/60/67/210086067.db2.gz SOQLJMCDWYAYOV-QGZVFWFLSA-N 1 0 353.426 2.375 50 0 FEAARO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000094541406 210080552 /nfs/dbraw/zinc/08/05/52/210080552.db2.gz NPAXEXWTHYWKJI-VIFPVBQESA-N 1 0 353.307 2.049 50 0 FEAARO CCn1cc(CNCc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000012112081 539544024 /nfs/dbraw/zinc/54/40/24/539544024.db2.gz GQLFNXNREGHCKB-HXUWFJFHSA-N 1 0 372.513 2.418 50 0 FEAARO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000124444781 210061332 /nfs/dbraw/zinc/06/13/32/210061332.db2.gz OQLVZNVVGTZOPM-GFCCVEGCSA-N 1 0 355.467 2.289 50 0 FEAARO COc1ccc(C(=O)N2CCC([NH2+]Cc3cccnc3)CC2)c(OC)c1 ZINC000047609843 210059694 /nfs/dbraw/zinc/05/96/94/210059694.db2.gz NLWGGJCPRLIKQI-UHFFFAOYSA-N 1 0 355.438 2.493 50 0 FEAARO O=C(c1cccc(OC(F)F)c1)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000299799695 210039467 /nfs/dbraw/zinc/03/94/67/210039467.db2.gz YETNOLBGPHBZJK-KRWDZBQOSA-N 1 0 365.424 2.140 50 0 FEAARO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)c2ccncc2Cl)CC1 ZINC000299788754 210031435 /nfs/dbraw/zinc/03/14/35/210031435.db2.gz WRZKXSLEMCLYAV-HNNXBMFYSA-N 1 0 350.894 2.367 50 0 FEAARO O=C(Nc1cccn2cnnc12)NC1CC[NH+](C2CCSCC2)CC1 ZINC000299779707 210023511 /nfs/dbraw/zinc/02/35/11/210023511.db2.gz QYRLZFRFKYLFFI-UHFFFAOYSA-N 1 0 360.487 2.211 50 0 FEAARO CC(C)(NC(=O)c1ccc(Cl)cc1OCCC[NH3+])c1nnc(N)s1 ZINC000299778755 210022968 /nfs/dbraw/zinc/02/29/68/210022968.db2.gz QSIDMYAMTASOTA-UHFFFAOYSA-N 1 0 369.878 2.166 50 0 FEAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCOCC3)C2)o1 ZINC000012588564 539566604 /nfs/dbraw/zinc/56/66/04/539566604.db2.gz IYDBSQNDKYZESX-INIZCTEOSA-N 1 0 350.459 2.277 50 0 FEAARO CCOC(=O)c1cc(NC(=O)NCC[NH+]2CCC(O)CC2)ccc1Cl ZINC000299776278 210020198 /nfs/dbraw/zinc/02/01/98/210020198.db2.gz MTDGYLZAPKUDRC-UHFFFAOYSA-N 1 0 369.849 2.095 50 0 FEAARO CC(=O)Nc1cccc(NC(=O)N2CCCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000299769472 210017403 /nfs/dbraw/zinc/01/74/03/210017403.db2.gz XOHGSHAXWCNKBF-SFHVURJKSA-N 1 0 360.458 2.364 50 0 FEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)[C@H]2CCOC2)CC1 ZINC000012702865 539570288 /nfs/dbraw/zinc/57/02/88/539570288.db2.gz QCQPLTDYYRTYCL-IBGZPJMESA-N 1 0 360.498 2.445 50 0 FEAARO CCc1nccn1CCC(=O)NC[C@H]1CCC2(CC[NH+](C(C)C)CC2)O1 ZINC000299766689 210014493 /nfs/dbraw/zinc/01/44/93/210014493.db2.gz DYIPJEPFZMOXRG-QGZVFWFLSA-N 1 0 362.518 2.374 50 0 FEAARO Cn1ncc(-c2ccccc2)c1NC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000299756689 210008294 /nfs/dbraw/zinc/00/82/94/210008294.db2.gz DQEKEJAIARWTHI-INIZCTEOSA-N 1 0 357.458 2.055 50 0 FEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017052489 539638610 /nfs/dbraw/zinc/63/86/10/539638610.db2.gz CAYUQGLUXJIJMF-UHFFFAOYSA-N 1 0 353.470 2.430 50 0 FEAARO Cc1nn(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)c(C)c1Cc1ccccc1 ZINC000223406777 222778259 /nfs/dbraw/zinc/77/82/59/222778259.db2.gz RVOGFTVLGZNYPF-QAQDUYKDSA-N 1 0 350.470 2.472 50 0 FEAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023106561 539705773 /nfs/dbraw/zinc/70/57/73/539705773.db2.gz XZBAWNBABNKXPY-AWEZNQCLSA-N 1 0 361.467 2.423 50 0 FEAARO CC(C)[C@H](CNC(=O)CNC(=O)c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000025537904 539762190 /nfs/dbraw/zinc/76/21/90/539762190.db2.gz SHZWCIXHMXTLTD-SFHVURJKSA-N 1 0 369.465 2.209 50 0 FEAARO C[NH+](C)C1(CNC(=O)[C@H]2CCCN(c3cnccn3)C2)CCCCCC1 ZINC000029782824 539864645 /nfs/dbraw/zinc/86/46/45/539864645.db2.gz MWLQNRRXOGGBQT-KRWDZBQOSA-N 1 0 359.518 2.464 50 0 FEAARO COc1cc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)cc2c1OCCO2 ZINC000030669013 539888782 /nfs/dbraw/zinc/88/87/82/539888782.db2.gz SNSIUACFDKJYTH-UHFFFAOYSA-N 1 0 372.421 2.454 50 0 FEAARO C[C@@H](CC(=O)NCC[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccccc1 ZINC000031339545 539905976 /nfs/dbraw/zinc/90/59/76/539905976.db2.gz BICDDOOJSFRRCH-KRWDZBQOSA-N 1 0 365.477 2.370 50 0 FEAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)no2)cc1 ZINC000032594098 539944235 /nfs/dbraw/zinc/94/42/35/539944235.db2.gz DDKPXNZVRZTTHI-HNNXBMFYSA-N 1 0 372.469 2.106 50 0 FEAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1ccccc1 ZINC000032833345 539955364 /nfs/dbraw/zinc/95/53/64/539955364.db2.gz BWCWJUVNQUMLID-UHFFFAOYSA-N 1 0 352.438 2.324 50 0 FEAARO C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000039975673 540002940 /nfs/dbraw/zinc/00/29/40/540002940.db2.gz HJLFUWASFISRHP-KDOFPFPSSA-N 1 0 357.429 2.363 50 0 FEAARO C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000040050468 540005073 /nfs/dbraw/zinc/00/50/73/540005073.db2.gz YHKBRFVHBFOGGC-CQSZACIVSA-N 1 0 359.470 2.414 50 0 FEAARO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000040153476 540007994 /nfs/dbraw/zinc/00/79/94/540007994.db2.gz IBWHHZNUAPBVIN-SJORKVTESA-N 1 0 369.303 2.279 50 0 FEAARO CCCOc1ccc(C[NH2+]CCCSc2nnnn2C)cc1OC ZINC000040744606 540011483 /nfs/dbraw/zinc/01/14/83/540011483.db2.gz ARIUVFNATFDIOO-UHFFFAOYSA-N 1 0 351.476 2.280 50 0 FEAARO COc1ccc(C[NH2+]CC2(O)CCOCC2)cc1OCc1cccnc1 ZINC000237335053 222906955 /nfs/dbraw/zinc/90/69/55/222906955.db2.gz LPDVQDSVIWCMCS-UHFFFAOYSA-N 1 0 358.438 2.300 50 0 FEAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000044285509 540122869 /nfs/dbraw/zinc/12/28/69/540122869.db2.gz JFJFJHYVMYAVSC-IRXDYDNUSA-N 1 0 365.543 2.463 50 0 FEAARO Cc1cc(=O)c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nn1-c1ccccc1 ZINC000046954298 540279969 /nfs/dbraw/zinc/27/99/69/540279969.db2.gz YASCAWYKOWWRIG-DOTOQJQBSA-N 1 0 368.481 2.391 50 0 FEAARO O=C(CN1CC[NH+](C[C@H]2CCOC2)CC1)Nc1ccccc1C(F)(F)F ZINC000047717447 540325772 /nfs/dbraw/zinc/32/57/72/540325772.db2.gz QUAFUOHKQNALAP-CQSZACIVSA-N 1 0 371.403 2.298 50 0 FEAARO O=C(NCc1n[nH]c(=O)c2ccccc12)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055153106 540631250 /nfs/dbraw/zinc/63/12/50/540631250.db2.gz YGPFMSHSWTZJOF-AWEZNQCLSA-N 1 0 366.421 2.045 50 0 FEAARO COc1ccc2cc(C[NH+]3CCC(Cc4nncn4C)CC3)c(=O)[nH]c2c1 ZINC000055254183 540640641 /nfs/dbraw/zinc/64/06/41/540640641.db2.gz XTMZSRHTSNCAOH-UHFFFAOYSA-N 1 0 367.453 2.120 50 0 FEAARO Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)Sc3nncn3C)CC2)cc1 ZINC000056407670 540724892 /nfs/dbraw/zinc/72/48/92/540724892.db2.gz GFUPLJASSFPMCE-INIZCTEOSA-N 1 0 373.526 2.339 50 0 FEAARO O=C(CNC(=O)c1ccoc1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058202386 540833304 /nfs/dbraw/zinc/83/33/04/540833304.db2.gz WOJBGKFERDWPEJ-GOSISDBHSA-N 1 0 355.438 2.180 50 0 FEAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c(C)o2)c1 ZINC000071755257 541771060 /nfs/dbraw/zinc/77/10/60/541771060.db2.gz BVKOGPQKUILEHR-ZDUSSCGKSA-N 1 0 359.426 2.365 50 0 FEAARO Cc1oncc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072145441 541787867 /nfs/dbraw/zinc/78/78/67/541787867.db2.gz BNSPAZGOYSWVHY-IPMKNSEASA-N 1 0 353.422 2.391 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)c3[nH]cnc3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072144706 541787895 /nfs/dbraw/zinc/78/78/95/541787895.db2.gz XOSSXMYPQXXCGE-DFQSSKMNSA-N 1 0 366.465 2.429 50 0 FEAARO Cc1oc(-c2cccs2)nc1CN1CC[NH2+][C@@H](C(=O)N2CCCC2)C1 ZINC000072154194 541790311 /nfs/dbraw/zinc/79/03/11/541790311.db2.gz UOSYGHWIFAXJLG-OAHLLOKOSA-N 1 0 360.483 2.108 50 0 FEAARO Cc1ncc2c(c1CNC(=O)[C@@H]1Cc3cc(Cl)ccc3N1)CC[NH2+]C2 ZINC000072154566 541790344 /nfs/dbraw/zinc/79/03/44/541790344.db2.gz DTCNKTBDJUKDAG-SFHVURJKSA-N 1 0 356.857 2.342 50 0 FEAARO Cc1cnn(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072161403 541792073 /nfs/dbraw/zinc/79/20/73/541792073.db2.gz RYMCTSKHZWGXOU-CEWLAPEOSA-N 1 0 368.456 2.419 50 0 FEAARO O=C(c1ccccc1N1CCCC1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072161053 541792276 /nfs/dbraw/zinc/79/22/76/541792276.db2.gz SBBBZFCLSCVUAS-UHFFFAOYSA-N 1 0 357.498 2.348 50 0 FEAARO c1coc(-c2nc(CNc3nc(-c4ccncc4)nc4c3C[NH2+]C4)no2)c1 ZINC000072165909 541794098 /nfs/dbraw/zinc/79/40/98/541794098.db2.gz QCKDHNKZVHLYEF-UHFFFAOYSA-N 1 0 361.365 2.397 50 0 FEAARO CCc1cc(N2CCC[C@]3(CN(C)C(=O)O3)CC2)nc(N2CCCC2)[nH+]1 ZINC000072171519 541796047 /nfs/dbraw/zinc/79/60/47/541796047.db2.gz DKMXVRKEYADNJK-LJQANCHMSA-N 1 0 359.474 2.450 50 0 FEAARO COc1ccc(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)cc1OC ZINC000072284015 541797363 /nfs/dbraw/zinc/79/73/63/541797363.db2.gz JDIUWGWSPFGYEA-UHFFFAOYSA-N 1 0 372.469 2.316 50 0 FEAARO C[C@H](CNC(=O)C(=O)Nc1ccnn1C1CCCC1)C[NH+]1CCCCC1 ZINC000072309193 541798233 /nfs/dbraw/zinc/79/82/33/541798233.db2.gz KOOOETWQTSPFFB-OAHLLOKOSA-N 1 0 361.490 2.175 50 0 FEAARO Cc1nc2c(c(NCCc3ccco3)n1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072407720 541805644 /nfs/dbraw/zinc/80/56/44/541805644.db2.gz BJVBROFVVVGMBZ-MRXNPFEDSA-N 1 0 355.486 2.185 50 0 FEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)Cn2ccccc2=O)CC1 ZINC000072407391 541805678 /nfs/dbraw/zinc/80/56/78/541805678.db2.gz PGNAYBFHCXBXCD-UHFFFAOYSA-N 1 0 353.466 2.014 50 0 FEAARO O=C1CC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]2N1CCCn1ccnc1 ZINC000072408895 541806275 /nfs/dbraw/zinc/80/62/75/541806275.db2.gz DNMCIMVSXGSQEG-PKOBYXMFSA-N 1 0 353.470 2.181 50 0 FEAARO CN1CC[N@H+](C)CC12CCN(C(=O)c1cccc(CCC(C)(C)O)c1)CC2 ZINC000072426908 541810967 /nfs/dbraw/zinc/81/09/67/541810967.db2.gz RWLYGORXKKTLPW-UHFFFAOYSA-N 1 0 373.541 2.242 50 0 FEAARO Cc1c(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCC2)sc2ncn(C)c(=O)c12 ZINC000072419588 541808145 /nfs/dbraw/zinc/80/81/45/541808145.db2.gz LEUIHWIWGNQPNX-OLZOCXBDSA-N 1 0 360.483 2.096 50 0 FEAARO CCN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072429485 541811841 /nfs/dbraw/zinc/81/18/41/541811841.db2.gz IZQSYJNCLSCLBF-OAQYLSRUSA-N 1 0 357.498 2.370 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](CCN3CCOCC3)C2)CN1Cc1ccccc1 ZINC000072434596 541813182 /nfs/dbraw/zinc/81/31/82/541813182.db2.gz VGWAUQGXICNMEM-JOCHJYFZSA-N 1 0 371.525 2.223 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072434261 541813383 /nfs/dbraw/zinc/81/33/83/541813383.db2.gz MTYKICSGTDZNCW-OAQYLSRUSA-N 1 0 362.514 2.309 50 0 FEAARO COc1ccc([C@@H](CCO)n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072435735 541814304 /nfs/dbraw/zinc/81/43/04/541814304.db2.gz CTSYXBDFFWJDQD-LJQANCHMSA-N 1 0 367.453 2.220 50 0 FEAARO O=C(CCn1ccccc1=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072469052 541817726 /nfs/dbraw/zinc/81/77/26/541817726.db2.gz USYDSEIIPCXOQM-UHFFFAOYSA-N 1 0 365.477 2.288 50 0 FEAARO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(OCCn4ccnc4)cc3)C2)O1 ZINC000072448455 541815542 /nfs/dbraw/zinc/81/55/42/541815542.db2.gz BGEYEXZJDZVMNH-IBGZPJMESA-N 1 0 356.426 2.037 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)C1 ZINC000072454314 541815755 /nfs/dbraw/zinc/81/57/55/541815755.db2.gz NIHJBIUHHNAYJM-LJQANCHMSA-N 1 0 356.470 2.330 50 0 FEAARO Cc1noc(C)c1CNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072477631 541820085 /nfs/dbraw/zinc/82/00/85/541820085.db2.gz UYGDHCOECFQUQU-UHFFFAOYSA-N 1 0 350.426 2.444 50 0 FEAARO Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3ccnc3)C2)on1 ZINC000072477333 541820728 /nfs/dbraw/zinc/82/07/28/541820728.db2.gz LZFNJFVPYVWPRR-FUHWJXTLSA-N 1 0 357.458 2.083 50 0 FEAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000035421985 211634084 /nfs/dbraw/zinc/63/40/84/211634084.db2.gz YHCMGLFNQZEVPC-UHFFFAOYSA-N 1 0 353.413 2.029 50 0 FEAARO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000075094261 542151490 /nfs/dbraw/zinc/15/14/90/542151490.db2.gz NMJXZMZLPRGMEP-NQIIRXRSSA-N 1 0 367.493 2.468 50 0 FEAARO CCSc1ccc(C(=O)N2CCC(n3cc(C[NH3+])nn3)CC2)s1 ZINC000023368721 211387876 /nfs/dbraw/zinc/38/78/76/211387876.db2.gz UGNIENJEGBWJOQ-UHFFFAOYSA-N 1 0 351.501 2.388 50 0 FEAARO OCC[C@H]1CN(Cc2ccc3nonc3c2)CC[N@@H+]1CCc1ccccc1 ZINC000023374332 211387311 /nfs/dbraw/zinc/38/73/11/211387311.db2.gz FOLDPFBEDCKQGQ-IBGZPJMESA-N 1 0 366.465 2.334 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)CN1CSCC1=O)c1ccccc1Cl ZINC000022681684 211360072 /nfs/dbraw/zinc/36/00/72/211360072.db2.gz FTCWILPLTXNQGL-OAHLLOKOSA-N 1 0 369.918 2.372 50 0 FEAARO Cn1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c2ccccc2c1=O ZINC000022754690 211362195 /nfs/dbraw/zinc/36/21/95/211362195.db2.gz JTZORTHRQAHRFE-KRWDZBQOSA-N 1 0 368.412 2.105 50 0 FEAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Br)c1OC ZINC000022076076 211338054 /nfs/dbraw/zinc/33/80/54/211338054.db2.gz PLXZAKQGAVJBDN-UHFFFAOYSA-N 1 0 373.291 2.278 50 0 FEAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)CN1C1Cc2ccccc2C1 ZINC000020996672 211301792 /nfs/dbraw/zinc/30/17/92/211301792.db2.gz FACBASPOBMVMNS-IRLDBZIGSA-N 1 0 363.505 2.441 50 0 FEAARO Cc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000016022212 211153753 /nfs/dbraw/zinc/15/37/53/211153753.db2.gz DMKXXMBABNHHDX-BOLFOIPXSA-N 1 0 369.465 2.170 50 0 FEAARO COCC1CC[NH+](C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000015066981 211116108 /nfs/dbraw/zinc/11/61/08/211116108.db2.gz CFQDGPSCCMSEEC-FQEVSTJZSA-N 1 0 352.519 2.279 50 0 FEAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](C)CC2 ZINC000014540423 211095391 /nfs/dbraw/zinc/09/53/91/211095391.db2.gz NVRSNOCUDMCUBH-UHFFFAOYSA-N 1 0 358.486 2.399 50 0 FEAARO CC(C)OCC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCCCC3)nn2C)C1 ZINC000014744533 211099677 /nfs/dbraw/zinc/09/96/77/211099677.db2.gz KAYWWCOIFBMTDH-INIZCTEOSA-N 1 0 362.518 2.308 50 0 FEAARO Cc1cc(C)c2c(=O)cc(C(=O)N3CCOC34CC[NH+](C)CC4)oc2c1 ZINC000013691648 211050408 /nfs/dbraw/zinc/05/04/08/211050408.db2.gz HZYUEHJHIDGENC-UHFFFAOYSA-N 1 0 356.422 2.304 50 0 FEAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)c1C ZINC000077287528 542362317 /nfs/dbraw/zinc/36/23/17/542362317.db2.gz ZCDLXTOYIAONTB-OAHLLOKOSA-N 1 0 370.497 2.161 50 0 FEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cccc(-n2cnnc2)c1 ZINC000077287710 542362401 /nfs/dbraw/zinc/36/24/01/542362401.db2.gz UMPFEKDQKOURHR-HXUWFJFHSA-N 1 0 361.449 2.396 50 0 FEAARO O=C(CCC(=O)N1CCC[C@](O)(C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000077323254 542367868 /nfs/dbraw/zinc/36/78/68/542367868.db2.gz QIBJSCFDAJNYTB-FQEVSTJZSA-N 1 0 362.445 2.238 50 0 FEAARO C[N@@H+]1CCCN(C(=S)NC(=O)c2ccccc2Br)CC1 ZINC000003257340 210459787 /nfs/dbraw/zinc/45/97/87/210459787.db2.gz LWMDTTHXBWVBLO-UHFFFAOYSA-N 1 0 356.289 2.101 50 0 FEAARO CCCOCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077341381 542369378 /nfs/dbraw/zinc/36/93/78/542369378.db2.gz NXINYTLUADDSCI-HXUWFJFHSA-N 1 0 360.502 2.416 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1nc2c3c4c(sc3nc(C)n2n1)CCC4 ZINC000002237760 210385462 /nfs/dbraw/zinc/38/54/62/210385462.db2.gz LZOLPEHHJXDGFP-UHFFFAOYSA-N 1 0 372.498 2.208 50 0 FEAARO O=C(CC[NH2+][C@H]1CC(=O)N(c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000077439676 542382592 /nfs/dbraw/zinc/38/25/92/542382592.db2.gz BUJUEHRSUCOING-IBGZPJMESA-N 1 0 363.461 2.357 50 0 FEAARO Cc1nnnn1CCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077471893 542386163 /nfs/dbraw/zinc/38/61/63/542386163.db2.gz ZUEFQXWLCJHQOY-LJQANCHMSA-N 1 0 362.522 2.122 50 0 FEAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077503405 542390212 /nfs/dbraw/zinc/39/02/12/542390212.db2.gz PMDGWWIEUKFFKL-OAQYLSRUSA-N 1 0 369.465 2.462 50 0 FEAARO CCCS(=O)(=O)N1CCC([NH2+]Cc2nc3ccccc3n2CC)CC1 ZINC000054041211 221049499 /nfs/dbraw/zinc/04/94/99/221049499.db2.gz YWBRQPFJIADILB-UHFFFAOYSA-N 1 0 364.515 2.350 50 0 FEAARO O=C(NCCCC[NH+]1CCCC1)NCc1cccc(CN2CCOCC2)c1 ZINC000058173018 221102285 /nfs/dbraw/zinc/10/22/85/221102285.db2.gz OFEFINGKLBNCIK-UHFFFAOYSA-N 1 0 374.529 2.194 50 0 FEAARO O=c1c2c3c(sc2ncn1C[C@H](O)c1ccccc1Cl)C[NH2+]CC3 ZINC000065369812 221203353 /nfs/dbraw/zinc/20/33/53/221203353.db2.gz YVVVFFMJGQCIEE-ZDUSSCGKSA-N 1 0 361.854 2.491 50 0 FEAARO Cc1nn(C)c(Cl)c1[C@H]1CC(=O)Nc2c1cnn2C1CC[NH+](C)CC1 ZINC000065382647 221207952 /nfs/dbraw/zinc/20/79/52/221207952.db2.gz AHUCVAQLGQETNM-LBPRGKRZSA-N 1 0 362.865 2.319 50 0 FEAARO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(Oc2ncccn2)CC1 ZINC000065383976 221207968 /nfs/dbraw/zinc/20/79/68/221207968.db2.gz RMUBMUQWQVVNBC-IBGZPJMESA-N 1 0 366.465 2.293 50 0 FEAARO CC(=O)NCc1ccc(N2CC[NH+](Cc3ccc(O)c(C)c3)CC2)nc1 ZINC000065506241 221228336 /nfs/dbraw/zinc/22/83/36/221228336.db2.gz SPSRDIYKQMQCRU-UHFFFAOYSA-N 1 0 354.454 2.054 50 0 FEAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1COc1cccc(-n2cnnn2)c1 ZINC000065528877 221230543 /nfs/dbraw/zinc/23/05/43/221230543.db2.gz SWGSYYDHOCCTEE-UHFFFAOYSA-N 1 0 374.408 2.403 50 0 FEAARO CCNc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000067613153 221262618 /nfs/dbraw/zinc/26/26/18/221262618.db2.gz MHNZJHUDGYZTBW-UHFFFAOYSA-N 1 0 357.433 2.247 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000067689127 221271666 /nfs/dbraw/zinc/27/16/66/221271666.db2.gz LXJVUENLTNZXEY-ZDUSSCGKSA-N 1 0 373.409 2.149 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)no1 ZINC000067692548 221272272 /nfs/dbraw/zinc/27/22/72/221272272.db2.gz FFAHOVRNRVVBEO-AWEZNQCLSA-N 1 0 359.426 2.476 50 0 FEAARO CC[C@H]1CN(C(=O)c2ccc(NCCc3c[nH]cn3)nc2)CC[N@@H+]1C(C)C ZINC000067804900 221288273 /nfs/dbraw/zinc/28/82/73/221288273.db2.gz JSLGTUYJVAFZSW-SFHVURJKSA-N 1 0 370.501 2.404 50 0 FEAARO Cc1c(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)sc2ncn(C)c(=O)c12 ZINC000067770878 221283230 /nfs/dbraw/zinc/28/32/30/221283230.db2.gz MOCRFTIHKORPTC-UHFFFAOYSA-N 1 0 374.510 2.299 50 0 FEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000067790711 221287488 /nfs/dbraw/zinc/28/74/88/221287488.db2.gz QJIMQXQBUFONJT-MOPGFXCFSA-N 1 0 365.477 2.271 50 0 FEAARO Cc1cc(C[NH2+]C[C@]2(O)CCCN(CCc3ccccc3)C2=O)ccn1 ZINC000067842194 221291794 /nfs/dbraw/zinc/29/17/94/221291794.db2.gz HAQPATHEBLXRLW-OAQYLSRUSA-N 1 0 353.466 2.076 50 0 FEAARO C[NH+](C)CCNc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 ZINC000067884043 221301280 /nfs/dbraw/zinc/30/12/80/221301280.db2.gz RLYZWZLWQKLLPT-SFHVURJKSA-N 1 0 370.501 2.337 50 0 FEAARO C[N@H+](Cc1[nH]nc2c1CCCCC2)C[C@@]1(O)CCCN(CC2CCC2)C1=O ZINC000067908643 221304454 /nfs/dbraw/zinc/30/44/54/221304454.db2.gz OIQFVRMULIUZET-NRFANRHFSA-N 1 0 374.529 2.264 50 0 FEAARO CCS(=O)(=O)Nc1ccc(C(=O)N2CC[N@H+](C(C)C)[C@H](C)C2)cc1 ZINC000067946772 221306544 /nfs/dbraw/zinc/30/65/44/221306544.db2.gz XOSXMLLIUROPSE-CQSZACIVSA-N 1 0 353.488 2.003 50 0 FEAARO Cc1ncc2c(c1-c1noc(-c3cc(CC(C)C)nc(N)n3)n1)CC[NH2+]C2 ZINC000067934519 221306951 /nfs/dbraw/zinc/30/69/51/221306951.db2.gz LARDFTPXMIRGTO-UHFFFAOYSA-N 1 0 365.441 2.323 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCn3cccn3)C2=O)cc1 ZINC000067965495 221308782 /nfs/dbraw/zinc/30/87/82/221308782.db2.gz NTPVOKKPNADHLN-OAQYLSRUSA-N 1 0 370.497 2.150 50 0 FEAARO CCc1cc(=O)[nH]c(-c2ccc(NC3CC[NH+](CCCOC)CC3)nc2)n1 ZINC000068698938 221316988 /nfs/dbraw/zinc/31/69/88/221316988.db2.gz PEMKJZPGXDUABQ-UHFFFAOYSA-N 1 0 371.485 2.307 50 0 FEAARO O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000070037461 221330313 /nfs/dbraw/zinc/33/03/13/221330313.db2.gz GILIYRGIWXEMCL-MSOLQXFVSA-N 1 0 367.449 2.250 50 0 FEAARO CC(C)c1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)no1 ZINC000071419564 221347330 /nfs/dbraw/zinc/34/73/30/221347330.db2.gz RCCDYWTUILIPDZ-AWEZNQCLSA-N 1 0 361.490 2.152 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3noc(C4CC4)n3)CC2)C1)N1CCCC1 ZINC000071753327 221363982 /nfs/dbraw/zinc/36/39/82/221363982.db2.gz IGGLDXACXTYEAV-MRXNPFEDSA-N 1 0 373.501 2.250 50 0 FEAARO O=C(c1coc(COc2cccc3cnccc32)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071762491 221368903 /nfs/dbraw/zinc/36/89/03/221368903.db2.gz ZZWFGXCOSNFWDS-GASCZTMLSA-N 1 0 364.405 2.378 50 0 FEAARO Cc1ccnn1CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071762028 221369955 /nfs/dbraw/zinc/36/99/55/221369955.db2.gz XHTQFMKAYCWLOC-CEWLAPEOSA-N 1 0 350.466 2.280 50 0 FEAARO C[NH+](C)[C@@H]1CCCN(Cc2cc3n(n2)CCN(Cc2cccc(O)c2)C3)C1 ZINC000072138653 221417333 /nfs/dbraw/zinc/41/73/33/221417333.db2.gz VYVXERPKQPPUPE-LJQANCHMSA-N 1 0 369.513 2.131 50 0 FEAARO COCCN(Cc1cnn(C)c1)C(=O)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072161906 221436767 /nfs/dbraw/zinc/43/67/67/221436767.db2.gz JDFNADFYBKLWEJ-GOSISDBHSA-N 1 0 370.497 2.251 50 0 FEAARO Cc1ccc([C@@H]2CN(C(=O)CN3CCCC3=O)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072169622 221446649 /nfs/dbraw/zinc/44/66/49/221446649.db2.gz NXYUWEXLHPSASU-VLCRHTCISA-N 1 0 367.493 2.006 50 0 FEAARO COc1cc(C)ccc1C(=O)N1CCC([C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000082162156 542686427 /nfs/dbraw/zinc/68/64/27/542686427.db2.gz BJYCEFMABXIILF-QGZVFWFLSA-N 1 0 359.514 2.492 50 0 FEAARO C[C@@H]1CCCN(C(=O)CCN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)C1 ZINC000082170500 132197629 /nfs/dbraw/zinc/19/76/29/132197629.db2.gz ZADHVHOVOJVOOZ-MRXNPFEDSA-N 1 0 370.497 2.216 50 0 FEAARO Cn1ccnc1C1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000091391447 132201354 /nfs/dbraw/zinc/20/13/54/132201354.db2.gz NQPLYIQYLZSNOD-UHFFFAOYSA-N 1 0 367.497 2.192 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2cccnc2)CC1 ZINC000095356507 132207517 /nfs/dbraw/zinc/20/75/17/132207517.db2.gz PJLKRFBTBFUTRK-QGZVFWFLSA-N 1 0 354.454 2.235 50 0 FEAARO Cc1sc2ncnc(N3CC[N@H+](C)[C@@]4(C3)CCC(=O)N(C)CC4)c2c1C ZINC000095367341 132208302 /nfs/dbraw/zinc/20/83/02/132208302.db2.gz CAMHIXBDZFHXHW-IBGZPJMESA-N 1 0 373.526 2.441 50 0 FEAARO Cc1ncsc1CC[N@@H+](C)C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000095500339 132212058 /nfs/dbraw/zinc/21/20/58/132212058.db2.gz GHHOLOAHHOSTGM-UHFFFAOYSA-N 1 0 357.487 2.261 50 0 FEAARO Cc1ncccc1Oc1ncnc(N2CCC(N[C@@H]3CC[NH2+]C3)CC2)c1C ZINC000096150696 132220721 /nfs/dbraw/zinc/22/07/21/132220721.db2.gz QPHNQFNUAJVVSW-QGZVFWFLSA-N 1 0 368.485 2.201 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](C)O2 ZINC000096152435 132220879 /nfs/dbraw/zinc/22/08/79/132220879.db2.gz JMMHPCBGIPEWSK-CYBMUJFWSA-N 1 0 369.425 2.367 50 0 FEAARO Cc1csc2c1ncnc2N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000107411616 132241339 /nfs/dbraw/zinc/24/13/39/132241339.db2.gz KZCSBUUOPKWFQV-GOSISDBHSA-N 1 0 359.499 2.133 50 0 FEAARO COc1cccc(N2CCN(C3CC[NH+](C4CCOCC4)CC3)CC2)c1 ZINC000245026563 132291882 /nfs/dbraw/zinc/29/18/82/132291882.db2.gz NAHQQVUXSVZMBO-UHFFFAOYSA-N 1 0 359.514 2.461 50 0 FEAARO CN1CC[NH+](C[C@@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@@H]2CO)CC1 ZINC000091326656 542805449 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O=C(Cn1ccnc1-c1ccccc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095516494 542977866 /nfs/dbraw/zinc/97/78/66/542977866.db2.gz LKUBRRLOPQPKPI-LJQANCHMSA-N 1 0 368.481 2.263 50 0 FEAARO CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1C ZINC000095944197 542983476 /nfs/dbraw/zinc/98/34/76/542983476.db2.gz UJTFQXIRWMVASX-HZSPNIEDSA-N 1 0 353.488 2.103 50 0 FEAARO NC(=O)CN1CCC([NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000095996250 542984976 /nfs/dbraw/zinc/98/49/76/542984976.db2.gz JBRQROBROSIFLL-OAQYLSRUSA-N 1 0 364.449 2.457 50 0 FEAARO C[NH+]1CCN([C@H]2CC[N@H+](CCCc3ccccc3)C[C@H]2CCC(=O)[O-])CC1 ZINC000095519791 542979087 /nfs/dbraw/zinc/97/90/87/542979087.db2.gz YYHZHEOPCARDMR-RTWAWAEBSA-N 1 0 373.541 2.422 50 0 FEAARO CC(=O)N1CCO[C@@H](CNC(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000095524956 542980725 /nfs/dbraw/zinc/98/07/25/542980725.db2.gz ZHUSFQCMAZRWDH-SFHVURJKSA-N 1 0 374.485 2.041 50 0 FEAARO Cc1cccc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4CC[NH3+])C3)oc21 ZINC000072454633 221536757 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CC[NH+](CC)[C@H](CNC(=O)c1ccnc(-n2cnnc2)c1)c1ccco1 ZINC000097522142 222188992 /nfs/dbraw/zinc/18/89/92/222188992.db2.gz PVCIKWYSYLYHOJ-OAHLLOKOSA-N 1 0 354.414 2.068 50 0 FEAARO CCN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000097657390 222203043 /nfs/dbraw/zinc/20/30/43/222203043.db2.gz XWBLYMHHKRZJNS-ZDUSSCGKSA-N 1 0 369.868 2.238 50 0 FEAARO O=C1C[C@@H](N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100053959 222234503 /nfs/dbraw/zinc/23/45/03/222234503.db2.gz SUNYYXXWHRRHFG-LJQANCHMSA-N 1 0 367.424 2.275 50 0 FEAARO CCc1nnc([C@H]2CN(c3cc(C)nc(-c4ccncc4)n3)CCO2)[nH]1 ZINC000131678939 544201427 /nfs/dbraw/zinc/20/14/27/544201427.db2.gz QCSUXXLZVFYVMF-CQSZACIVSA-N 1 0 351.414 2.105 50 0 FEAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000106136197 222383471 /nfs/dbraw/zinc/38/34/71/222383471.db2.gz KBOSIPKOOZNNNK-GJZGRUSLSA-N 1 0 356.470 2.092 50 0 FEAARO Cc1ncsc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000107403123 222393951 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CCCOCCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082161331 520253645 /nfs/dbraw/zinc/25/36/45/520253645.db2.gz NOXNMFZMEYJZBZ-SFHVURJKSA-N 1 0 351.535 2.212 50 0 FEAARO CCOc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1OCc1cccnc1 ZINC000179069225 520655286 /nfs/dbraw/zinc/65/52/86/520655286.db2.gz GZHOSWOFHFFJNK-KRWDZBQOSA-N 1 0 355.438 2.493 50 0 FEAARO CCc1cccc(OC2CN(C(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)C2)c1 ZINC000091548305 521773126 /nfs/dbraw/zinc/77/31/26/521773126.db2.gz NEEPPGDPFXLFKG-QGZVFWFLSA-N 1 0 359.514 2.255 50 0 FEAARO CCc1ccccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091663622 521809812 /nfs/dbraw/zinc/80/98/12/521809812.db2.gz MCYAWXCYUZIJIX-CTNGQTDRSA-N 1 0 373.541 2.100 50 0 FEAARO COc1ccc(-c2noc(CN3CCC([N@@H+]4CCC[C@@H](O)C4)CC3)n2)cc1 ZINC000020455966 523288304 /nfs/dbraw/zinc/28/83/04/523288304.db2.gz NDOGYKMIODQWTN-QGZVFWFLSA-N 1 0 372.469 2.166 50 0 FEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000091616324 523620786 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371.338 2.248 50 0 FEAARO COc1ccc(NC(=S)NCCCN2CC[NH+](C)CC2)cc1Cl ZINC000019831672 524665705 /nfs/dbraw/zinc/66/57/05/524665705.db2.gz WBOSMISFPCGQMQ-UHFFFAOYSA-N 1 0 356.923 2.273 50 0 FEAARO COc1ccc2cc(C[NH+]3CCN(c4ccccn4)CC3)c(=O)n(C)c2c1 ZINC000299785461 525629819 /nfs/dbraw/zinc/62/98/19/525629819.db2.gz RMKDJTIMAQNNGY-UHFFFAOYSA-N 1 0 364.449 2.264 50 0 FEAARO O=C(NCCc1nc2ccccc2c(=O)[nH]1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020541530 526460344 /nfs/dbraw/zinc/46/03/44/526460344.db2.gz IOZOUQVPAMIWPO-CQSZACIVSA-N 1 0 368.462 2.382 50 0 FEAARO O=C(CCc1nc(Cl)n[nH]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000082125770 526651307 /nfs/dbraw/zinc/65/13/07/526651307.db2.gz VXVOYVYFIPPKKP-UHFFFAOYSA-N 1 0 353.879 2.187 50 0 FEAARO O=C(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)NCc1cccs1 ZINC000091536413 526820879 /nfs/dbraw/zinc/82/08/79/526820879.db2.gz ACHGCCIJQKHRAV-FUHWJXTLSA-N 1 0 370.522 2.356 50 0 FEAARO Cc1nc([C@@H]2CCCN(C(=O)CC[NH+]3CCCCCCC3)C2)cc(=O)[nH]1 ZINC000091519222 527043634 /nfs/dbraw/zinc/04/36/34/527043634.db2.gz OAICFAYZIKVYEQ-QGZVFWFLSA-N 1 0 360.502 2.441 50 0 FEAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](CCOCCO)CC2)CN1C1CC1 ZINC000091593786 527108623 /nfs/dbraw/zinc/10/86/23/527108623.db2.gz AHKZZHISHPTVOT-HXUWFJFHSA-N 1 0 372.509 2.256 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000178543450 527216944 /nfs/dbraw/zinc/21/69/44/527216944.db2.gz NRJMJQCABCXDSY-VIFPVBQESA-N 1 0 350.772 2.363 50 0 FEAARO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299785340 527420556 /nfs/dbraw/zinc/42/05/56/527420556.db2.gz YJUBFUPHGMJCHU-KOZAUXTDSA-N 1 0 358.829 2.198 50 0 FEAARO OCc1cn(C[C@H]2CCC[N@H+](Cc3ccc4cccc(F)c4n3)C2)nn1 ZINC000020995733 527639810 /nfs/dbraw/zinc/63/98/10/527639810.db2.gz NYWFNJGSMZQHRP-AWEZNQCLSA-N 1 0 355.417 2.370 50 0 FEAARO COCCN1CC[NH+](C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000048501679 536873634 /nfs/dbraw/zinc/87/36/34/536873634.db2.gz QTHNDLWCPAKBMG-UHFFFAOYSA-N 1 0 369.513 2.105 50 0 FEAARO Cc1ccn2c(c1)nc(C(=O)N1CC[NH+](C3CCSCC3)CC1)c2F ZINC000215154075 548669455 /nfs/dbraw/zinc/66/94/55/548669455.db2.gz YLVCDGROZKIEQP-UHFFFAOYSA-N 1 0 362.474 2.435 50 0 FEAARO COC[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]2CCO[C@H]12 ZINC000219016741 548691802 /nfs/dbraw/zinc/69/18/02/548691802.db2.gz PTFKPJJPEGRTIT-YRPNKDGESA-N 1 0 358.482 2.452 50 0 FEAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3cnn4cccnc34)o2)CC1 ZINC000219225402 548692679 /nfs/dbraw/zinc/69/26/79/548692679.db2.gz LDGSPUZIGKFKBG-UHFFFAOYSA-N 1 0 353.426 2.484 50 0 FEAARO CC1CC[NH+](Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)NC4=O)o2)CC1 ZINC000219578586 548695288 /nfs/dbraw/zinc/69/52/88/548695288.db2.gz JPMYOGUOQOJHIK-CVEARBPZSA-N 1 0 359.470 2.252 50 0 FEAARO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCCCc1nnc2ccccn21 ZINC000219739658 548696527 /nfs/dbraw/zinc/69/65/27/548696527.db2.gz LHYNISWFSHMTRP-GOSISDBHSA-N 1 0 363.465 2.268 50 0 FEAARO O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCOC[C@H]2OCC2CC2)CC1 ZINC000219918539 548697762 /nfs/dbraw/zinc/69/77/62/548697762.db2.gz JHNMHQAJCBJHNT-WOJBJXKFSA-N 1 0 358.482 2.465 50 0 FEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccc(-c2cc[nH]n2)cc1 ZINC000220219672 548698923 /nfs/dbraw/zinc/69/89/23/548698923.db2.gz NGQKLTAVKSWJRS-QXCFHYIPSA-N 1 0 352.438 2.058 50 0 FEAARO Cc1cccc(-c2noc(CN(C)c3cc(C4CC(O)C4)[nH+]c(N)n3)n2)c1 ZINC000222795219 548711420 /nfs/dbraw/zinc/71/14/20/548711420.db2.gz GGOKIDDLPZQBSN-UHFFFAOYSA-N 1 0 366.425 2.292 50 0 FEAARO O=C(COc1ccccc1F)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225562749 548737589 /nfs/dbraw/zinc/73/75/89/548737589.db2.gz CIMPTLRDVADFSP-UHFFFAOYSA-N 1 0 350.434 2.212 50 0 FEAARO CN(Cc1ccccc1N1CCCC1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237162739 548805592 /nfs/dbraw/zinc/80/55/92/548805592.db2.gz DUGNYNGXTCHHRD-UHFFFAOYSA-N 1 0 368.485 2.075 50 0 FEAARO COc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc(OC)c1Br ZINC000237244563 548811397 /nfs/dbraw/zinc/81/13/97/548811397.db2.gz WMJIQMWKXREHIX-MWLCHTKSSA-N 1 0 357.248 2.418 50 0 FEAARO COc1ccccc1C[C@@H]1CCCN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237247382 548812770 /nfs/dbraw/zinc/81/27/70/548812770.db2.gz XLNGTOIQARKYHG-KRWDZBQOSA-N 1 0 369.469 2.059 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c(F)cccc2Br)C1 ZINC000237316535 548816855 /nfs/dbraw/zinc/81/68/55/548816855.db2.gz KDICUUVHZZKQPH-SNVBAGLBSA-N 1 0 365.268 2.208 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000237447606 548827807 /nfs/dbraw/zinc/82/78/07/548827807.db2.gz BMFNVJIQZWIONK-RYUDHWBXSA-N 1 0 350.850 2.069 50 0 FEAARO Cc1c(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000237773040 548852401 /nfs/dbraw/zinc/85/24/01/548852401.db2.gz PRHWZRZSKVZCOV-AWEZNQCLSA-N 1 0 368.485 2.244 50 0 FEAARO CSc1ccc(C(=O)N[C@@H]2CCN(Cc3cccnc3)C[C@H]2O)cc1 ZINC000241081923 548884752 /nfs/dbraw/zinc/88/47/52/548884752.db2.gz YSPJFOJHYYHPGF-QZTJIDSGSA-N 1 0 357.479 2.169 50 0 FEAARO COc1ccc(CC(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)c(OC)c1 ZINC000244884185 548898057 /nfs/dbraw/zinc/89/80/57/548898057.db2.gz YHAOUKRGKOHALN-GOSISDBHSA-N 1 0 369.465 2.422 50 0 FEAARO Cc1cccc2[nH]c(CNCc3nnc([C@H]4C[C@H]([NH3+])C4)n3C3CC3)nc21 ZINC000244900114 548899120 /nfs/dbraw/zinc/89/91/20/548899120.db2.gz ZWGUCYGDCVVVHZ-JOCQHMNTSA-N 1 0 351.458 2.292 50 0 FEAARO Cc1noc([C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)C[C@H]2CO)n1 ZINC000253402021 549686841 /nfs/dbraw/zinc/68/68/41/549686841.db2.gz FYLWAPNFFZQPRX-PKOBYXMFSA-N 1 0 356.470 2.050 50 0 FEAARO CC(C)C(=O)N1CCc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CC1 ZINC000257175264 549711745 /nfs/dbraw/zinc/71/17/45/549711745.db2.gz OILRKQHTAZFLND-GOSISDBHSA-N 1 0 367.497 2.308 50 0 FEAARO CCOC1(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CCCC1 ZINC000284165133 551496090 /nfs/dbraw/zinc/49/60/90/551496090.db2.gz FXFIDPXARROPLU-UHFFFAOYSA-N 1 0 373.497 2.291 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000299754462 553610545 /nfs/dbraw/zinc/61/05/45/553610545.db2.gz RGKJYGWNNAUGDM-RTBURBONSA-N 1 0 368.485 2.058 50 0 FEAARO CCCCN1CCOC[C@H]1C(=O)NC1CCN(C(=O)C(CC)CC)CC1 ZINC000376639816 558201760 /nfs/dbraw/zinc/20/17/60/558201760.db2.gz LECWBWHNWXDRQE-SFHVURJKSA-N 1 0 367.534 2.031 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCCc3nc4ccccc4o3)nn2)CC1 ZINC000426501757 559736157 /nfs/dbraw/zinc/73/61/57/559736157.db2.gz KJWTXZLOSPAURH-OKILXGFUSA-N 1 0 368.441 2.224 50 0 FEAARO O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(-c2cccc(C(F)(F)F)n2)c1 ZINC000426529253 559737020 /nfs/dbraw/zinc/73/70/20/559737020.db2.gz IYBZKYBAJNBWPA-AWEZNQCLSA-N 1 0 365.355 2.486 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000426535173 559737160 /nfs/dbraw/zinc/73/71/60/559737160.db2.gz NUSXTEQADWLXGH-INIZCTEOSA-N 1 0 371.407 2.131 50 0 FEAARO CC[N@H+](C)C[C@@H](C)CNC(=O)N1CCN(Cc2ccc(C)c(C)c2)C(=O)C1 ZINC000534575324 562537066 /nfs/dbraw/zinc/53/70/66/562537066.db2.gz RUTJFYKBWBJOKX-INIZCTEOSA-N 1 0 374.529 2.245 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)N2CCN(C)C(=O)C2)[NH+]2CCC(C)CC2)cc1 ZINC000534582857 562537380 /nfs/dbraw/zinc/53/73/80/562537380.db2.gz SNHPXLQKCNBQHO-LJQANCHMSA-N 1 0 372.513 2.252 50 0 FEAARO Cn1c(Sc2cc(C(=O)N3CCCC3)ccn2)nnc1C1CC[NH2+]CC1 ZINC000534658169 562539482 /nfs/dbraw/zinc/53/94/82/562539482.db2.gz LKQDJWYUEOAQPO-UHFFFAOYSA-N 1 0 372.498 2.064 50 0 FEAARO COC(=O)c1ccc(CCC(=O)N2CCOc3ccc(C[NH3+])cc32)cc1 ZINC000602575581 567996640 /nfs/dbraw/zinc/99/66/40/567996640.db2.gz FQVGISUAUCECIH-UHFFFAOYSA-N 1 0 354.406 2.290 50 0 FEAARO CC1(C)C(c2cc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)n[nH]2)C1(C)C ZINC000646533594 571106197 /nfs/dbraw/zinc/10/61/97/571106197.db2.gz UFPRVZULCQWLTM-UYHHGJEOSA-N 1 0 360.502 3.030 50 0 FEAARO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2nccnc2n1 ZINC000423512145 571150707 /nfs/dbraw/zinc/15/07/07/571150707.db2.gz QQYTWRIHIFTMOF-RHSMWYFYSA-N 1 0 351.385 2.039 50 0 FEAARO Cc1c[nH]c(CNC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)n1 ZINC000426374151 571216729 /nfs/dbraw/zinc/21/67/29/571216729.db2.gz JHHGFBRPJYZMBB-UHFFFAOYSA-N 1 0 353.470 2.103 50 0 FEAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000426382724 571217344 /nfs/dbraw/zinc/21/73/44/571217344.db2.gz NKHCYLBPQHMSOY-KRWDZBQOSA-N 1 0 368.485 2.358 50 0 FEAARO CN1CCC[N@H+](C)CC12CCN(C(=O)NCCc1cccc(F)c1)CC2 ZINC000426429695 571224397 /nfs/dbraw/zinc/22/43/97/571224397.db2.gz BMUIMDSPGYARPX-UHFFFAOYSA-N 1 0 362.493 2.180 50 0 FEAARO COCC[N@@H+]1CCC[C@H](CNC(=O)N2CC(c3nc4ccccc4[nH]3)C2)C1 ZINC000426444732 571225989 /nfs/dbraw/zinc/22/59/89/571225989.db2.gz VXKWBFLSSUOMTE-OAHLLOKOSA-N 1 0 371.485 2.030 50 0 FEAARO CCn1ncnc1[C@H](C)NC(=O)c1ccc(-c2[nH+]ccc(N)c2OC)cc1 ZINC000584889136 571314216 /nfs/dbraw/zinc/31/42/16/571314216.db2.gz TVTSWEQPSHDSLE-LBPRGKRZSA-N 1 0 366.425 2.442 50 0 FEAARO CC[C@@H](NC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1)c1ccc(O)cc1 ZINC000584899380 571315901 /nfs/dbraw/zinc/31/59/01/571315901.db2.gz PYEHYAAIIIVKRY-GOSISDBHSA-N 1 0 361.486 2.476 50 0 FEAARO Cc1sc2ncn([C@@H]3CC[NH2+]C[C@H]3O)c(=O)c2c1-c1ccc(F)cc1 ZINC000670437341 571347091 /nfs/dbraw/zinc/34/70/91/571347091.db2.gz LXKASIULVZJNTH-ZIAGYGMSSA-N 1 0 359.426 2.468 50 0 FEAARO CCOc1ccc(-c2csc3ncn([C@@H]4CC[NH2+]C[C@H]4O)c(=O)c23)cc1 ZINC000670447683 571351306 /nfs/dbraw/zinc/35/13/06/571351306.db2.gz UKRCQITYEJZODW-HZPDHXFCSA-N 1 0 371.462 2.419 50 0 FEAARO Cc1ncsc1C[NH+]1CCC2(CC[C@H](CN3CCOCC3)O2)CC1 ZINC000257189611 672898935 /nfs/dbraw/zinc/89/89/35/672898935.db2.gz JEPDEAIBRWSUBY-MRXNPFEDSA-N 1 0 351.516 2.297 50 0 FEAARO Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC000662545030 678636523 /nfs/dbraw/zinc/63/65/23/678636523.db2.gz KTTDNTWCFJGMMH-VXGBXAGGSA-N 1 0 359.396 2.172 50 0 FEAARO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](O)C(F)(F)C2)c1 ZINC000663600740 678763404 /nfs/dbraw/zinc/76/34/04/678763404.db2.gz QCVYILAEMZVVPN-MRXNPFEDSA-N 1 0 355.429 2.440 50 0 FEAARO CC[C@@H](CNC(=O)/C=C/c1nc2ccccc2s1)[NH+]1CCN(C)CC1 ZINC000952982423 681795034 /nfs/dbraw/zinc/79/50/34/681795034.db2.gz XBUQOEPSAGTKND-HVHJFMEUSA-N 1 0 358.511 2.452 50 0 FEAARO CCCC[N@H+](C)CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000002943571 539356907 /nfs/dbraw/zinc/35/69/07/539356907.db2.gz DHHNPGYOIVBIJW-UHFFFAOYSA-N 1 0 356.470 2.149 50 0 FEAARO CN1CCC([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000003305623 539362825 /nfs/dbraw/zinc/36/28/25/539362825.db2.gz HSCLWTMHLZQAQR-OAHLLOKOSA-N 1 0 357.292 2.215 50 0 FEAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000004153157 539377861 /nfs/dbraw/zinc/37/78/61/539377861.db2.gz OAYWUKGEZHMWSX-UHFFFAOYSA-N 1 0 369.506 2.006 50 0 FEAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000215686586 222651415 /nfs/dbraw/zinc/65/14/15/222651415.db2.gz GYDGAUDCSMBLKH-UHFFFAOYSA-N 1 0 360.421 2.353 50 0 FEAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OC ZINC000004488469 539385612 /nfs/dbraw/zinc/38/56/12/539385612.db2.gz WCXQCOJBAKHXBV-UHFFFAOYSA-N 1 0 357.867 2.153 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2N=C(c3ccccc3)CCC2=O)C1 ZINC000004688155 539390090 /nfs/dbraw/zinc/39/00/90/539390090.db2.gz JWWRFKDITYTWQT-KRWDZBQOSA-N 1 0 370.497 2.251 50 0 FEAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccccn1 ZINC000006660326 539432741 /nfs/dbraw/zinc/43/27/41/539432741.db2.gz DQTLSIILEGBRFK-KRWDZBQOSA-N 1 0 367.380 2.434 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000006810100 539437971 /nfs/dbraw/zinc/43/79/71/539437971.db2.gz USULWXCCOHALIF-UHFFFAOYSA-N 1 0 366.412 2.303 50 0 aggregator FEAARO COc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)ccc1OCc1ccncc1 ZINC000105471329 210137668 /nfs/dbraw/zinc/13/76/68/210137668.db2.gz AIBRWMIDHXEICP-GOSISDBHSA-N 1 0 357.454 2.089 50 0 FEAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)cc1OC ZINC000006939297 539442022 /nfs/dbraw/zinc/44/20/22/539442022.db2.gz BKQWMVSPNUAXKC-SJORKVTESA-N 1 0 353.459 2.082 50 0 FEAARO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCCCCC1 ZINC000007378315 539457083 /nfs/dbraw/zinc/45/70/83/539457083.db2.gz IAHHFZYJUMAXRK-CQSZACIVSA-N 1 0 353.488 2.140 50 0 FEAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccon1 ZINC000008893120 539493832 /nfs/dbraw/zinc/49/38/32/539493832.db2.gz WYGQQMSKLPPTCI-CQSZACIVSA-N 1 0 362.455 2.408 50 0 FEAARO C[NH+](C)CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268753 539499397 /nfs/dbraw/zinc/49/93/97/539499397.db2.gz QQIHOAIQLRQGND-UHFFFAOYSA-N 1 0 369.390 2.262 50 0 FEAARO Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000009515690 539504014 /nfs/dbraw/zinc/50/40/14/539504014.db2.gz GSOSHQQCMAQRFO-LJQANCHMSA-N 1 0 353.466 2.452 50 0 FEAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000328596004 210110332 /nfs/dbraw/zinc/11/03/32/210110332.db2.gz NFNGSXBYVSJVAS-CFVMTHIKSA-N 1 0 353.260 2.476 50 0 FEAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)CCN2CCCC2=O)C1 ZINC000011702568 539534016 /nfs/dbraw/zinc/53/40/16/539534016.db2.gz LXSHJXBBUYYFRD-HXUWFJFHSA-N 1 0 371.525 2.412 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccsc3)CC2)C1 ZINC000011769385 539534989 /nfs/dbraw/zinc/53/49/89/539534989.db2.gz VBQXZVSUTNQDHX-CQSZACIVSA-N 1 0 361.511 2.343 50 0 FEAARO O=C(NCC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000011821700 539535924 /nfs/dbraw/zinc/53/59/24/539535924.db2.gz LJDHGCXWHSJUPQ-IBGZPJMESA-N 1 0 356.514 2.284 50 0 FEAARO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nn1C ZINC000011938476 539539906 /nfs/dbraw/zinc/53/99/06/539539906.db2.gz BQNJJFWAJWCJSX-IBGZPJMESA-N 1 0 367.497 2.498 50 0 FEAARO CC[C@H](O)CNC(=O)c1ccc(OC)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012192197 539548805 /nfs/dbraw/zinc/54/88/05/539548805.db2.gz AQLOFFIIVHULEM-INIZCTEOSA-N 1 0 364.486 2.448 50 0 FEAARO O=C(NCCCn1cccn1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012301910 539552802 /nfs/dbraw/zinc/55/28/02/539552802.db2.gz YQFKAWZRVUAIPZ-UHFFFAOYSA-N 1 0 352.482 2.413 50 0 FEAARO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc1 ZINC000012440878 539559828 /nfs/dbraw/zinc/55/98/28/539559828.db2.gz ASQZFZRPLUQMLO-UHFFFAOYSA-N 1 0 374.481 2.324 50 0 FEAARO CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc(C2CC(O)C2)[nH+]c(N)n1 ZINC000222889756 222754674 /nfs/dbraw/zinc/75/46/74/222754674.db2.gz ICBATLYYWMMROF-UHFFFAOYSA-N 1 0 350.426 2.324 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1ccccc1C(F)(F)F ZINC000299802136 210039604 /nfs/dbraw/zinc/03/96/04/210039604.db2.gz XPMVQCVNLIENPG-CYBMUJFWSA-N 1 0 371.403 2.378 50 0 FEAARO Cc1cc(C(N)=O)ccc1NC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000299792642 210033801 /nfs/dbraw/zinc/03/38/01/210033801.db2.gz FQUBJWKWSSSENM-KRWDZBQOSA-N 1 0 352.438 2.272 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)Nc2snnc2-c2ccccc2)C1 ZINC000299785556 210029163 /nfs/dbraw/zinc/02/91/63/210029163.db2.gz LWYUCFUPPCOPBU-ZDUSSCGKSA-N 1 0 361.471 2.247 50 0 FEAARO COCC[NH+]1CCC(CNC(=O)c2cccc(-c3ncccn3)c2)CC1 ZINC000299785781 210029273 /nfs/dbraw/zinc/02/92/73/210029273.db2.gz RUHWHLPWWUKYFQ-UHFFFAOYSA-N 1 0 354.454 2.232 50 0 FEAARO CCOCc1cc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)ccc1OC ZINC000299784160 210027636 /nfs/dbraw/zinc/02/76/36/210027636.db2.gz SMPYQOHMUUTOAF-PKOBYXMFSA-N 1 0 358.442 2.169 50 0 FEAARO CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000299777237 210023383 /nfs/dbraw/zinc/02/33/83/210023383.db2.gz BOYJBNODYAELGY-OAHLLOKOSA-N 1 0 358.442 2.453 50 0 FEAARO C[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3cccs3)cn2)CC1 ZINC000012613165 539568247 /nfs/dbraw/zinc/56/82/47/539568247.db2.gz BDHBTSOJKMVIPN-UHFFFAOYSA-N 1 0 358.467 2.497 50 0 FEAARO CC1CC[NH+](Cc2ccc(C(=O)NCCCn3ccccc3=O)o2)CC1 ZINC000299773688 210018196 /nfs/dbraw/zinc/01/81/96/210018196.db2.gz DZEICSCEPDLXBS-UHFFFAOYSA-N 1 0 357.454 2.493 50 0 FEAARO O=C(Cc1cnc[nH]c1=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299760881 210011768 /nfs/dbraw/zinc/01/17/68/210011768.db2.gz RYYYUVUAGSNZQF-KRWDZBQOSA-N 1 0 358.417 2.207 50 0 FEAARO Cc1ccc([C@@H](CCO)NC(=O)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000299759782 210010647 /nfs/dbraw/zinc/01/06/47/210010647.db2.gz NFYMTLNDUUIBGI-HXUWFJFHSA-N 1 0 360.498 2.426 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1 ZINC000014122710 539595891 /nfs/dbraw/zinc/59/58/91/539595891.db2.gz VNIUCFUOUQLQRS-GOSISDBHSA-N 1 0 367.449 2.221 50 0 FEAARO CC[NH+]1CCC(N[C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000014948077 539607886 /nfs/dbraw/zinc/60/78/86/539607886.db2.gz MOZGOJIQAKMVRV-LJQANCHMSA-N 1 0 373.545 2.137 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(OC)c2)C3)CC1 ZINC000015779430 539623273 /nfs/dbraw/zinc/62/32/73/539623273.db2.gz WVXHZIUZOHUMLE-UHFFFAOYSA-N 1 0 367.497 2.185 50 0 FEAARO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1 ZINC000024771702 539740327 /nfs/dbraw/zinc/74/03/27/539740327.db2.gz SMNCDECZFPWUSB-LBPRGKRZSA-N 1 0 361.364 2.082 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnc2ccccn2c1=O ZINC000025250382 539752860 /nfs/dbraw/zinc/75/28/60/539752860.db2.gz HEQSZHQXXHRJHT-UHFFFAOYSA-N 1 0 362.433 2.089 50 0 FEAARO COc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3cc(C)no3)CC2)cc1 ZINC000025438795 539759569 /nfs/dbraw/zinc/75/95/69/539759569.db2.gz PNUGMOAWFZCKGS-UHFFFAOYSA-N 1 0 358.442 2.138 50 0 FEAARO COc1ccc(CC(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc1 ZINC000027742193 539815397 /nfs/dbraw/zinc/81/53/97/539815397.db2.gz KAZGCBYXQKJDEU-UHFFFAOYSA-N 1 0 359.514 2.304 50 0 FEAARO C[N@H+]1CC=C(c2noc(CCC(=O)N3CCc4ccccc4C3)n2)CC1 ZINC000033069168 539966255 /nfs/dbraw/zinc/96/62/55/539966255.db2.gz RVHVUKZCVTWWSD-UHFFFAOYSA-N 1 0 352.438 2.306 50 0 FEAARO Cc1ccnc(N2CCC(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC000035454449 539982621 /nfs/dbraw/zinc/98/26/21/539982621.db2.gz YIYMPVDBTJSFSO-MRXNPFEDSA-N 1 0 359.518 2.240 50 0 FEAARO CC(C)[C@@H](CNC(=O)c1cccc(OCC(N)=O)c1)[NH+]1CCC(C)CC1 ZINC000036398188 539990055 /nfs/dbraw/zinc/99/00/55/539990055.db2.gz GIVKMRCVXKCJAC-GOSISDBHSA-N 1 0 361.486 2.037 50 0 FEAARO COCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000036396644 539990168 /nfs/dbraw/zinc/99/01/68/539990168.db2.gz UKUQVNOHZNTJSY-UHFFFAOYSA-N 1 0 354.516 2.154 50 0 FEAARO C[N@@H+]1CCN(CCCNS(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000036390308 539990601 /nfs/dbraw/zinc/99/06/01/539990601.db2.gz ZHTWITVXWDJZMD-FQEVSTJZSA-N 1 0 373.522 2.344 50 0 FEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN(c2nccs2)CC1 ZINC000040068004 540004956 /nfs/dbraw/zinc/00/49/56/540004956.db2.gz PYQGHLMIIMHYTG-UHFFFAOYSA-N 1 0 371.510 2.033 50 0 FEAARO COc1cccc(N2C[C@H](C(=O)NCCC[NH+]3CCCCC3)CC2=O)c1 ZINC000040059599 540005104 /nfs/dbraw/zinc/00/51/04/540005104.db2.gz HDKFFDRMUCZBIU-MRXNPFEDSA-N 1 0 359.470 2.040 50 0 FEAARO COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000040153247 540008025 /nfs/dbraw/zinc/00/80/25/540008025.db2.gz XQBIOCNOLNKJSR-UHFFFAOYSA-N 1 0 361.409 2.351 50 0 FEAARO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000236862404 222903663 /nfs/dbraw/zinc/90/36/63/222903663.db2.gz NOWIKIKKLABOSI-CQSZACIVSA-N 1 0 356.488 2.104 50 0 FEAARO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000236901191 222904119 /nfs/dbraw/zinc/90/41/19/222904119.db2.gz HJBLZDWHFXBHKH-SFHVURJKSA-N 1 0 371.485 2.015 50 0 FEAARO CCCCN1C(=O)CC[C@H](C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccccc1OC ZINC000236774961 222904140 /nfs/dbraw/zinc/90/41/40/222904140.db2.gz YMCZRKMCSYFGSI-OXFYSEKESA-N 1 0 373.497 2.335 50 0 FEAARO CCCCO[C@@H]1C[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1(C)C ZINC000236854044 222904313 /nfs/dbraw/zinc/90/43/13/222904313.db2.gz ZAJMHJHOIQWXSP-HZPDHXFCSA-N 1 0 363.506 2.225 50 0 FEAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000238048403 222913628 /nfs/dbraw/zinc/91/36/28/222913628.db2.gz IBHOSZLZDVCJHQ-CYBMUJFWSA-N 1 0 355.360 2.396 50 0 FEAARO CC[NH+](CC)Cc1cccc(NC(=O)CS[C@H]2CCS(=O)(=O)C2)c1 ZINC000042724771 540075424 /nfs/dbraw/zinc/07/54/24/540075424.db2.gz SRODUYHKCIPFIS-INIZCTEOSA-N 1 0 370.540 2.387 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000046788390 540270863 /nfs/dbraw/zinc/27/08/63/540270863.db2.gz LYVREIBQLGWPGO-UHFFFAOYSA-N 1 0 372.282 2.346 50 0 FEAARO C[C@@H](CNC(=O)NCCNC(=O)c1ccccc1F)[N@@H+]1CCCC[C@@H]1C ZINC000050111712 540400363 /nfs/dbraw/zinc/40/03/63/540400363.db2.gz FJZPRZFGQWWOKF-GJZGRUSLSA-N 1 0 364.465 2.118 50 0 FEAARO NC(=O)CCn1cc(C[NH2+]CCCOc2cccnc2)c2ccccc21 ZINC000055098938 540628133 /nfs/dbraw/zinc/62/81/33/540628133.db2.gz COVMGTTWHTVWGC-UHFFFAOYSA-N 1 0 352.438 2.470 50 0 FEAARO COCC[N@@H+]1CC[C@@H](C(=O)N(C)CCOc2ccc(C)cc2Cl)C1 ZINC000055200335 540634891 /nfs/dbraw/zinc/63/48/91/540634891.db2.gz BDAUJNZEJATCEI-OAHLLOKOSA-N 1 0 354.878 2.454 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)cc1 ZINC000055042451 540623758 /nfs/dbraw/zinc/62/37/58/540623758.db2.gz NRDIJZVOYBGAGD-MRXNPFEDSA-N 1 0 362.495 2.225 50 0 FEAARO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)C ZINC000055358573 540648719 /nfs/dbraw/zinc/64/87/19/540648719.db2.gz JWOAHSSMPZQUGF-IBGZPJMESA-N 1 0 364.453 2.080 50 0 FEAARO O=c1[nH]cc(C[N@@H+]2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)c(=O)[nH]1 ZINC000067541615 541477790 /nfs/dbraw/zinc/47/77/90/541477790.db2.gz JZKPDJYGTWTCTM-UHFFFAOYSA-N 1 0 373.416 2.165 50 0 FEAARO O=C(CCN1CC[NH2+]CC1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071755349 541771503 /nfs/dbraw/zinc/77/15/03/541771503.db2.gz BARNJICHZHXFSD-MRXNPFEDSA-N 1 0 372.296 2.189 50 0 FEAARO COCc1nc2c(cnn2C)c(NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000072137273 541786212 /nfs/dbraw/zinc/78/62/12/541786212.db2.gz YEHXZMCDCOSRJZ-MRXNPFEDSA-N 1 0 366.469 2.411 50 0 FEAARO CN1C[C@]2(CCC[N@H+](Cc3cc4ccccc4n(C)c3=O)CC2)OC1=O ZINC000072129067 541785510 /nfs/dbraw/zinc/78/55/10/541785510.db2.gz FWXKPHGYAWPEJM-HXUWFJFHSA-N 1 0 355.438 2.345 50 0 FEAARO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cn1 ZINC000072154763 541790670 /nfs/dbraw/zinc/79/06/70/541790670.db2.gz OUDGBVLEOBAIQE-HNNXBMFYSA-N 1 0 354.520 2.369 50 0 FEAARO CN(C(=O)C(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072161077 541792396 /nfs/dbraw/zinc/79/23/96/541792396.db2.gz BFTZDORHQNHAHW-GOSISDBHSA-N 1 0 359.514 2.457 50 0 FEAARO COC(=O)[C@H](CC[NH+]1CCCCC1)NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000072306529 541798041 /nfs/dbraw/zinc/79/80/41/541798041.db2.gz CZSRBZWVAKYXSE-YESZJQIVSA-N 1 0 354.491 2.116 50 0 FEAARO Cc1cc(=O)c(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000072404483 541805631 /nfs/dbraw/zinc/80/56/31/541805631.db2.gz ILHMTRZJQBLJPH-UHFFFAOYSA-N 1 0 356.422 2.108 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c(F)c1 ZINC000072408505 541806269 /nfs/dbraw/zinc/80/62/69/541806269.db2.gz CGLJEOAXDOSCHN-OAHLLOKOSA-N 1 0 361.465 2.404 50 0 FEAARO O=C(COc1ccccc1-c1nccn1[C@H]1CC[NH2+]C1)N1CCCCC1 ZINC000072411960 541807249 /nfs/dbraw/zinc/80/72/49/541807249.db2.gz IJANUZKAWWITSE-INIZCTEOSA-N 1 0 354.454 2.476 50 0 FEAARO O=C(CCc1cc2n(n1)CC[NH2+]C2)NCc1scnc1-c1ccccc1 ZINC000072420212 541809049 /nfs/dbraw/zinc/80/90/49/541809049.db2.gz IALNCGJRFDMLOL-UHFFFAOYSA-N 1 0 367.478 2.359 50 0 FEAARO CC[C@@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000072428725 541811653 /nfs/dbraw/zinc/81/16/53/541811653.db2.gz HXJKFSQVRXAULP-CQSZACIVSA-N 1 0 357.458 2.327 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cccc(Cn3cccn3)c1)CC[NH2+]C2 ZINC000072429578 541812024 /nfs/dbraw/zinc/81/20/24/541812024.db2.gz AATPIGXVAZMKPQ-UHFFFAOYSA-N 1 0 361.449 2.211 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1cc(-c3ccccc3F)n[nH]1)CC[NH2+]C2 ZINC000072431719 541812614 /nfs/dbraw/zinc/81/26/14/541812614.db2.gz CGHUFRHLHPZFDD-UHFFFAOYSA-N 1 0 365.412 2.495 50 0 FEAARO CCNc1nc(NCCNS(=O)(=O)c2ccc(C)c(C)c2)cc(C)[nH+]1 ZINC000072437139 541814144 /nfs/dbraw/zinc/81/41/44/541814144.db2.gz VYLBHCFGJBUKEH-UHFFFAOYSA-N 1 0 363.487 2.224 50 0 FEAARO CC(C)=CCC[N@H+]1CCC[C@H](c2nnc(CN3CCC(O)CC3)n2C)C1 ZINC000072467913 541817420 /nfs/dbraw/zinc/81/74/20/541817420.db2.gz DPIQJJSZJBEENP-KRWDZBQOSA-N 1 0 361.534 2.308 50 0 FEAARO c1csc(CCNc2ncnc3c2CCN([C@@H]2CCC[NH2+]C2)CC3)c1 ZINC000072454445 541816053 /nfs/dbraw/zinc/81/60/53/541816053.db2.gz MARRTPDVPRLIFY-OAHLLOKOSA-N 1 0 357.527 2.345 50 0 FEAARO Fc1ccc2[nH]c(CCCn3ccnc3-c3cc4n(n3)CC[NH2+]C4)nc2c1 ZINC000072454627 541816678 /nfs/dbraw/zinc/81/66/78/541816678.db2.gz QNULLOHWGZGBTB-UHFFFAOYSA-N 1 0 365.416 2.498 50 0 FEAARO Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000072479234 541821528 /nfs/dbraw/zinc/82/15/28/541821528.db2.gz GILHGFLIVZUYIR-AWEZNQCLSA-N 1 0 364.515 2.036 50 0 FEAARO COCCCN(Cc1cnc(-c2ccccn2)nc1)C1CC[NH+](C)CC1 ZINC000072476209 541819371 /nfs/dbraw/zinc/81/93/71/541819371.db2.gz IPXOOXYPXVDPDI-UHFFFAOYSA-N 1 0 355.486 2.471 50 0 FEAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 ZINC000072477934 541820270 /nfs/dbraw/zinc/82/02/70/541820270.db2.gz ISWMKCFHHWRQFL-HXUWFJFHSA-N 1 0 374.525 2.461 50 0 FEAARO CCS(=O)(=O)c1ccccc1C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000058955131 212015146 /nfs/dbraw/zinc/01/51/46/212015146.db2.gz DZYROQIXKVBPSE-HNNXBMFYSA-N 1 0 352.500 2.332 50 0 FEAARO COCC[N@H+](C)C[C@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C ZINC000058365153 212006708 /nfs/dbraw/zinc/00/67/08/212006708.db2.gz VIQNLKUNWHCSSN-QGZVFWFLSA-N 1 0 354.516 2.343 50 0 FEAARO C[C@@H](Cn1cccn1)NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058298820 212003835 /nfs/dbraw/zinc/00/38/35/212003835.db2.gz YAMCZMNOHHBNLT-HKUYNNGSSA-N 1 0 355.486 2.483 50 0 FEAARO COC1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000058306903 212003694 /nfs/dbraw/zinc/00/36/94/212003694.db2.gz SWQOKYOYBAQLCK-UHFFFAOYSA-N 1 0 363.527 2.285 50 0 FEAARO Cc1c(C[NH2+]CC2(Cn3cccn3)CC2)c2ccccc2n1CC(N)=O ZINC000055326095 211944137 /nfs/dbraw/zinc/94/41/37/211944137.db2.gz RFQQRDNWDJKNEF-UHFFFAOYSA-N 1 0 351.454 2.202 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000047415999 211852668 /nfs/dbraw/zinc/85/26/68/211852668.db2.gz BQNCEJLTGVQCIY-GJZGRUSLSA-N 1 0 352.500 2.188 50 0 FEAARO C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)N1C(=O)c2ccccc2C1=O ZINC000017247399 220212430 /nfs/dbraw/zinc/21/24/30/220212430.db2.gz UQAHVJZYAYUPJN-OAHLLOKOSA-N 1 0 369.465 2.148 50 0 FEAARO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000033040102 211584906 /nfs/dbraw/zinc/58/49/06/211584906.db2.gz VMCMZYNGCUFGJF-ZIAGYGMSSA-N 1 0 361.467 2.320 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCCC[NH+]2CCCCC2)c1=O ZINC000033005234 211581584 /nfs/dbraw/zinc/58/15/84/211581584.db2.gz CTPRTZFCWGJLDB-UHFFFAOYSA-N 1 0 356.470 2.087 50 0 FEAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccccc1 ZINC000023362783 211387084 /nfs/dbraw/zinc/38/70/84/211387084.db2.gz SJGIFYKBJSUGLZ-KXBFYZLASA-N 1 0 359.420 2.444 50 0 FEAARO Cc1cccn2c(C[NH2+]CCn3cccn3)c(C(=O)N3CCCCC3)nc12 ZINC000023337183 211383157 /nfs/dbraw/zinc/38/31/57/211383157.db2.gz LPHSUKLKLGWONH-UHFFFAOYSA-N 1 0 366.469 2.255 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)N2CCOCC2)cc1F ZINC000022851181 211365546 /nfs/dbraw/zinc/36/55/46/211365546.db2.gz OGQFJIOAUOBKTO-UHFFFAOYSA-N 1 0 362.449 2.425 50 0 FEAARO CCc1ccc(S(=O)(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000015079352 211122193 /nfs/dbraw/zinc/12/21/93/211122193.db2.gz UUIWSEJWZCCMED-GOSISDBHSA-N 1 0 367.559 2.286 50 0 FEAARO O=C(NC(C1CC1)C1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000015074240 211120150 /nfs/dbraw/zinc/12/01/50/211120150.db2.gz VWDALBKXOQMTMJ-GOSISDBHSA-N 1 0 373.541 2.404 50 0 FEAARO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3C2)cc1 ZINC000014540334 211094889 /nfs/dbraw/zinc/09/48/89/211094889.db2.gz HUVCJJXBMXVAQE-BZSNNMDCSA-N 1 0 355.482 2.048 50 0 FEAARO COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014741347 211101080 /nfs/dbraw/zinc/10/10/80/211101080.db2.gz AIGFQBMTSAFDQT-UHFFFAOYSA-N 1 0 359.470 2.340 50 0 FEAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014733074 211098165 /nfs/dbraw/zinc/09/81/65/211098165.db2.gz CXYPKXLAHVKHKV-KRWDZBQOSA-N 1 0 364.493 2.270 50 0 FEAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2 ZINC000014733214 211098143 /nfs/dbraw/zinc/09/81/43/211098143.db2.gz XGFJZHGVMNPKNS-INIZCTEOSA-N 1 0 356.445 2.442 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000013668564 211046564 /nfs/dbraw/zinc/04/65/64/211046564.db2.gz QRMNUYADXFIGEY-GASCZTMLSA-N 1 0 368.499 2.104 50 0 FEAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000013648513 211045904 /nfs/dbraw/zinc/04/59/04/211045904.db2.gz HFSJWXZJUXKUAB-UHFFFAOYSA-N 1 0 354.472 2.002 50 0 FEAARO O=C(c1nc2sccn2c1C[NH2+]CCCn1ccnc1)N1CCCC1 ZINC000011818807 210896096 /nfs/dbraw/zinc/89/60/96/210896096.db2.gz NXIUHUNKKKARKC-UHFFFAOYSA-N 1 0 358.471 2.008 50 0 FEAARO Brc1ccc(I)cc1N1CC[NH2+]CC1 ZINC000217044102 532965044 /nfs/dbraw/zinc/96/50/44/532965044.db2.gz WLNNXNIYLKHHPN-UHFFFAOYSA-N 1 0 367.028 2.463 50 0 FEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000001179435 210330452 /nfs/dbraw/zinc/33/04/52/210330452.db2.gz INFCJYYBCFIXHX-QGZVFWFLSA-N 1 0 363.502 2.355 50 0 FEAARO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077388739 542376345 /nfs/dbraw/zinc/37/63/45/542376345.db2.gz AFBBEDBWANPXJO-IBGZPJMESA-N 1 0 369.509 2.164 50 0 FEAARO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077388737 542376393 /nfs/dbraw/zinc/37/63/93/542376393.db2.gz AFBBEDBWANPXJO-LJQANCHMSA-N 1 0 369.509 2.164 50 0 FEAARO CCCSc1ncc(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)cn1 ZINC000077440702 542382197 /nfs/dbraw/zinc/38/21/97/542382197.db2.gz BJTNLTXGFHXWPE-SFHVURJKSA-N 1 0 350.532 2.401 50 0 FEAARO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077520907 542392435 /nfs/dbraw/zinc/39/24/35/542392435.db2.gz OIFBEDIDPHQVIA-CYBMUJFWSA-N 1 0 369.421 2.018 50 0 FEAARO Cc1cc(C)n(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)cc2)n1 ZINC000077454455 542383965 /nfs/dbraw/zinc/38/39/65/542383965.db2.gz QQSVKBSDLYZTRI-IBGZPJMESA-N 1 0 356.470 2.066 50 0 FEAARO Cc1nn(C(C)C)c(C)c1CNC(=O)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ZINC000077454765 542384432 /nfs/dbraw/zinc/38/44/32/542384432.db2.gz RHDMZAUYKPYDPT-INIZCTEOSA-N 1 0 373.505 2.135 50 0 FEAARO COCCN1C[C@@]2(CCC[N@H+](Cc3cn4cccc(C)c4n3)C2)CCC1=O ZINC000077503784 542390118 /nfs/dbraw/zinc/39/01/18/542390118.db2.gz HRQZQOCDSUENLX-NRFANRHFSA-N 1 0 370.497 2.494 50 0 FEAARO CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c1=O ZINC000022697116 220396080 /nfs/dbraw/zinc/39/60/80/220396080.db2.gz MRGTYLVJNFMAEY-IBGZPJMESA-N 1 0 359.445 2.358 50 0 FEAARO CCn1c2c(C(=O)Nc3ccc(C)c(C)c3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966215 221158681 /nfs/dbraw/zinc/15/86/81/221158681.db2.gz RRIXYGGBMIRITM-UHFFFAOYSA-N 1 0 365.437 2.031 50 0 FEAARO COc1ccc(F)cc1S(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000065365723 221203494 /nfs/dbraw/zinc/20/34/94/221203494.db2.gz GNIBKGLONVFQEI-ZIAGYGMSSA-N 1 0 358.479 2.481 50 0 FEAARO Oc1ccccc1N1CCN(c2ncnc3sc4c(c32)CC[NH2+]C4)CC1 ZINC000065382979 221207574 /nfs/dbraw/zinc/20/75/74/221207574.db2.gz PRTPEIDWGLNLLC-UHFFFAOYSA-N 1 0 367.478 2.369 50 0 FEAARO [NH3+]CCc1nc2ccccc2c(N[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000065383591 221207806 /nfs/dbraw/zinc/20/78/06/221207806.db2.gz ZFFIEXXXXANAHH-INIZCTEOSA-N 1 0 361.449 2.344 50 0 FEAARO COC(=O)c1cc2n(n1)CCCN([C@H](C)C[N@@H+]1CCc3ccccc3C1)C2 ZINC000065430170 221218990 /nfs/dbraw/zinc/21/89/90/221218990.db2.gz CCYDDRNNDZCYMF-MRXNPFEDSA-N 1 0 368.481 2.322 50 0 FEAARO CCc1nc(CNC(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)no1 ZINC000065527619 221230663 /nfs/dbraw/zinc/23/06/63/221230663.db2.gz LPRTZECRYFFUME-UHFFFAOYSA-N 1 0 364.833 2.103 50 0 FEAARO Cc1ccc(OC2(C(=O)N[C@H](C)c3cccc(C)n3)CC[NH2+]CC2)cn1 ZINC000065528753 221231049 /nfs/dbraw/zinc/23/10/49/221231049.db2.gz GUDTVMQKYSFRFB-MRXNPFEDSA-N 1 0 354.454 2.472 50 0 FEAARO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1-n1cnnn1 ZINC000065548120 221232713 /nfs/dbraw/zinc/23/27/13/221232713.db2.gz OKBMEUVILANKMP-OAHLLOKOSA-N 1 0 357.462 2.213 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000066619811 221246276 /nfs/dbraw/zinc/24/62/76/221246276.db2.gz DJNMYFHNMPWHAU-INIZCTEOSA-N 1 0 364.453 2.338 50 0 FEAARO COc1cc(-c2nc(CN3[C@@H]4CC[C@H]3C[NH2+]C4)c(C)o2)cc2c1OCO2 ZINC000067678918 221270551 /nfs/dbraw/zinc/27/05/51/221270551.db2.gz GUEYJAZQKLLFMH-OKILXGFUSA-N 1 0 357.410 2.324 50 0 FEAARO C[C@@H]1CCCCN1c1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067691893 221272443 /nfs/dbraw/zinc/27/24/43/221272443.db2.gz RHKGGTGQGYOBEL-QGZVFWFLSA-N 1 0 372.513 2.397 50 0 FEAARO CCn1c(=O)[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000067741718 221279451 /nfs/dbraw/zinc/27/94/51/221279451.db2.gz PFTVOOZMTAZECM-SFHVURJKSA-N 1 0 366.469 2.216 50 0 FEAARO O[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067789940 221285595 /nfs/dbraw/zinc/28/55/95/221285595.db2.gz JAPUXGZZNKXPJM-WMLDXEAASA-N 1 0 353.378 2.302 50 0 FEAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000067852117 221295488 /nfs/dbraw/zinc/29/54/88/221295488.db2.gz MPSGMUFDJPJRON-UHFFFAOYSA-N 1 0 366.469 2.167 50 0 FEAARO C[C@H](C[NH3+])C(=O)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067867720 221296603 /nfs/dbraw/zinc/29/66/03/221296603.db2.gz VYVLIAHJYRPFRI-GFCCVEGCSA-N 1 0 353.401 2.489 50 0 FEAARO Cc1nc(Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)cs1 ZINC000067856015 221296951 /nfs/dbraw/zinc/29/69/51/221296951.db2.gz FZESUSIVNUYHCC-UHFFFAOYSA-N 1 0 369.494 2.373 50 0 FEAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000067966941 221310264 /nfs/dbraw/zinc/31/02/64/221310264.db2.gz JHVLZVBFUUGOFF-MRXNPFEDSA-N 1 0 364.457 2.069 50 0 FEAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(COc2cncc(Cl)c2)on1 ZINC000067983545 221312885 /nfs/dbraw/zinc/31/28/85/221312885.db2.gz QGTRMSORJKQQCU-INIZCTEOSA-N 1 0 362.817 2.126 50 0 FEAARO CC[C@@H](C)C(=O)NCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000070012616 221330040 /nfs/dbraw/zinc/33/00/40/221330040.db2.gz MMQUQPIHRRYECB-GOSISDBHSA-N 1 0 359.514 2.316 50 0 FEAARO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071388637 221344690 /nfs/dbraw/zinc/34/46/90/221344690.db2.gz ACAAEUGJZFLRHS-INIZCTEOSA-N 1 0 354.520 2.158 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCC[N@@H+]1CC1CC1 ZINC000071707838 221353398 /nfs/dbraw/zinc/35/33/98/221353398.db2.gz DFCZNGXJPNPEBH-LJQANCHMSA-N 1 0 368.485 2.245 50 0 FEAARO Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1CC[NH2+][C@@H](C(=O)[O-])C1 ZINC000071497912 221350617 /nfs/dbraw/zinc/35/06/17/221350617.db2.gz DIXKBXXHNZPMME-HXUWFJFHSA-N 1 0 359.514 2.394 50 0 FEAARO CC[NH+]1CCN(Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)CC1 ZINC000071746014 221358424 /nfs/dbraw/zinc/35/84/24/221358424.db2.gz JONIFJZZPPBPRK-UHFFFAOYSA-N 1 0 369.513 2.406 50 0 FEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000071760426 221368667 /nfs/dbraw/zinc/36/86/67/221368667.db2.gz ZHGIZFOQLGKLFO-INIZCTEOSA-N 1 0 373.472 2.421 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1)N1CCCC1 ZINC000071764285 221371972 /nfs/dbraw/zinc/37/19/72/221371972.db2.gz XMMQRAXOBNQGBQ-INIZCTEOSA-N 1 0 362.543 2.442 50 0 FEAARO CC(C)[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071776447 221375298 /nfs/dbraw/zinc/37/52/98/221375298.db2.gz GYFRSMSHNZRLFR-QGZVFWFLSA-N 1 0 360.433 2.215 50 0 FEAARO NC(=O)c1cnn2cc(-c3cc(O)cc(CC[C@H]4CCCC[NH2+]4)c3)cnc12 ZINC000072151849 221429982 /nfs/dbraw/zinc/42/99/82/221429982.db2.gz WXSGFZHPWKUFEP-MRXNPFEDSA-N 1 0 365.437 2.276 50 0 FEAARO Cc1csc(S(=O)(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)c1 ZINC000082087384 542683328 /nfs/dbraw/zinc/68/33/28/542683328.db2.gz WSPYMFYBHMBMDE-UHFFFAOYSA-N 1 0 368.528 2.203 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[N@H+](C[C@@H]1CCCCO1)C2)N1CCCC1 ZINC000082106488 542683836 /nfs/dbraw/zinc/68/38/36/542683836.db2.gz BUZZCGBCLPNECV-IBGZPJMESA-N 1 0 360.502 2.213 50 0 FEAARO CC(C)[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1NS(C)(=O)=O ZINC000082121848 542685283 /nfs/dbraw/zinc/68/52/83/542685283.db2.gz UVMWCKRALJHCLL-JKSUJKDBSA-N 1 0 360.907 2.224 50 0 FEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000085468222 542728452 /nfs/dbraw/zinc/72/84/52/542728452.db2.gz NXFFABQXAAICDN-AWEZNQCLSA-N 1 0 351.441 2.453 50 0 FEAARO c1nc(C[C@H]2CN(c3cc[nH+]cc3)Cc3nnc(C4CCOCC4)n32)c[nH]1 ZINC000077391055 132183364 /nfs/dbraw/zinc/18/33/64/132183364.db2.gz YDCFNICUNODYPD-KRWDZBQOSA-N 1 0 365.441 2.094 50 0 FEAARO CN(C)c1cncc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095357827 132207614 /nfs/dbraw/zinc/20/76/14/132207614.db2.gz YTIFQWZPKDTSOH-INIZCTEOSA-N 1 0 357.506 2.075 50 0 FEAARO CCCc1nc(C)cc(N2CCC([N@@H+]3C[C@H](O)[C@@H](OC(C)C)C3)CC2)n1 ZINC000095505809 132212664 /nfs/dbraw/zinc/21/26/64/132212664.db2.gz XQYBGBXKPHURNO-ROUUACIJSA-N 1 0 362.518 2.176 50 0 FEAARO CC(C)Nc1cc(N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)ncn1 ZINC000095521163 132214012 /nfs/dbraw/zinc/21/40/12/132214012.db2.gz AGCRVJIXDIUUHC-INIZCTEOSA-N 1 0 357.506 2.439 50 0 FEAARO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237580096 132248030 /nfs/dbraw/zinc/24/80/30/132248030.db2.gz DGHLVYNTYVTXMQ-AWEZNQCLSA-N 1 0 363.477 2.354 50 0 FEAARO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CN1c2ccccc2O[C@H](C)C1=O ZINC000225401121 132284661 /nfs/dbraw/zinc/28/46/61/132284661.db2.gz YGEOPJBOVNSLMF-HZPDHXFCSA-N 1 0 359.470 2.133 50 0 FEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000253413334 132377281 /nfs/dbraw/zinc/37/72/81/132377281.db2.gz UNOKPSAHWJNFTC-GBESFXJTSA-N 1 0 371.529 2.416 50 0 FEAARO [NH3+][C@H]1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)[nH]c2=O)C1 ZINC000091411091 542806474 /nfs/dbraw/zinc/80/64/74/542806474.db2.gz DEJABXGRJUVDPT-NSHDSACASA-N 1 0 353.209 2.329 50 0 FEAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000091444501 542807931 /nfs/dbraw/zinc/80/79/31/542807931.db2.gz FTCCBTRUHSADOK-UHFFFAOYSA-N 1 0 371.533 2.207 50 0 FEAARO O=S(=O)(c1cccnc1)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000091254652 542803265 /nfs/dbraw/zinc/80/32/65/542803265.db2.gz WNLSDDRDMYJRRM-QZTJIDSGSA-N 1 0 357.479 2.367 50 0 FEAARO Cc1ccc(-c2ncc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]2)cc1 ZINC000091677507 542819648 /nfs/dbraw/zinc/81/96/48/542819648.db2.gz NRFWGIWAZYGEBF-INIZCTEOSA-N 1 0 352.438 2.056 50 0 FEAARO O=C1CN(C2CC[NH2+]CC2)C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000091689944 542820258 /nfs/dbraw/zinc/82/02/58/542820258.db2.gz TUVAKIFXMWJKBI-CQSZACIVSA-N 1 0 356.253 2.135 50 0 FEAARO C[N@@H+]1CCC[C@H](NC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)C1 ZINC000091690966 542820328 /nfs/dbraw/zinc/82/03/28/542820328.db2.gz UCZSQWZSMVBAHB-IIFATDLDSA-N 1 0 370.497 2.062 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)C[N@@H+]1CC[C@H](c3ccccc3)C1)CC2 ZINC000091645469 542818119 /nfs/dbraw/zinc/81/81/19/542818119.db2.gz WYPALMOGAOLMDC-IBGZPJMESA-N 1 0 369.509 2.337 50 0 FEAARO O=C(Cn1c(=O)oc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091645118 542818284 /nfs/dbraw/zinc/81/82/84/542818284.db2.gz ZSKAOESYPMLJLY-IAGOWNOFSA-N 1 0 369.465 2.317 50 0 FEAARO CC(=O)c1cc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000091782464 542826045 /nfs/dbraw/zinc/82/60/45/542826045.db2.gz DVVOVLPMNWJKOY-IAGOWNOFSA-N 1 0 364.511 2.046 50 0 FEAARO Cc1ccc(OCC[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)cc1C ZINC000091793762 542825780 /nfs/dbraw/zinc/82/57/80/542825780.db2.gz GWVYXDTZWNYUCS-UHFFFAOYSA-N 1 0 360.498 2.379 50 0 FEAARO Cn1cccc1-c1cc(C(=O)N(Cc2cccnc2)C2CC[NH2+]CC2)[nH]n1 ZINC000091895712 542831771 /nfs/dbraw/zinc/83/17/71/542831771.db2.gz DUZTWJSWWYJRCR-UHFFFAOYSA-N 1 0 364.453 2.205 50 0 FEAARO CCc1ccc(NC(=O)N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(C)CC3)cc1 ZINC000091931622 542833333 /nfs/dbraw/zinc/83/33/33/542833333.db2.gz PKXFWWUMPDCNJI-FQEVSTJZSA-N 1 0 358.486 2.409 50 0 FEAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000091932046 542833412 /nfs/dbraw/zinc/83/34/12/542833412.db2.gz SSGCLPGNFKXUQF-UHFFFAOYSA-N 1 0 367.453 2.019 50 0 FEAARO Nc1nc(N2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)c2c([nH+]1)CCC2 ZINC000091987874 542835614 /nfs/dbraw/zinc/83/56/14/542835614.db2.gz RTBWQDJSUXWMJH-HXUWFJFHSA-N 1 0 355.486 2.309 50 0 FEAARO Nc1nc(N2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)c2c([nH+]1)CCC2 ZINC000091987876 542835945 /nfs/dbraw/zinc/83/59/45/542835945.db2.gz RTBWQDJSUXWMJH-FQEVSTJZSA-N 1 0 355.486 2.309 50 0 FEAARO O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000092077402 542843708 /nfs/dbraw/zinc/84/37/08/542843708.db2.gz SYWSGMFVSWZAQE-HNAYVOBHSA-N 1 0 363.461 2.079 50 0 FEAARO CC1(C)CN(C(=O)OCc2ccccc2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000092098393 542846049 /nfs/dbraw/zinc/84/60/49/542846049.db2.gz QZNFHIGQPLVZLZ-FQEVSTJZSA-N 1 0 362.470 2.118 50 0 FEAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Cn3ccnc3)C2)CC1 ZINC000055060727 136125965 /nfs/dbraw/zinc/12/59/65/136125965.db2.gz RGSWXCGIULFGMQ-IBGZPJMESA-N 1 0 367.497 2.005 50 0 FEAARO CN(C)[C@@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1cccc(F)c1 ZINC000095372511 542962522 /nfs/dbraw/zinc/96/25/22/542962522.db2.gz WBAATMMRVCSBRR-GOSISDBHSA-N 1 0 365.518 2.468 50 0 FEAARO CN(C)[C@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1cccc(F)c1 ZINC000095372510 542962921 /nfs/dbraw/zinc/96/29/21/542962921.db2.gz WBAATMMRVCSBRR-SFHVURJKSA-N 1 0 365.518 2.468 50 0 FEAARO C[C@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000070895786 136138476 /nfs/dbraw/zinc/13/84/76/136138476.db2.gz JIEOVQHCIGCBNL-INIZCTEOSA-N 1 0 366.465 2.292 50 0 FEAARO CN1Cc2ccccc2C[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095373644 542963791 /nfs/dbraw/zinc/96/37/91/542963791.db2.gz IIHBSNRBOFVAJT-NRFANRHFSA-N 1 0 364.493 2.219 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3ncnc4sc(C)cc43)CC[C@H]21 ZINC000072481567 136149795 /nfs/dbraw/zinc/14/97/95/136149795.db2.gz ICLCNXLGTRUJBR-DZGCQCFKSA-N 1 0 359.499 2.036 50 0 FEAARO CCc1ncc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)cn1 ZINC000095354369 542957965 /nfs/dbraw/zinc/95/79/65/542957965.db2.gz PEDXNMPFJRWZGX-UHFFFAOYSA-N 1 0 370.501 2.207 50 0 FEAARO O=C(C[NH+]1CCCC1)N1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095367014 542960445 /nfs/dbraw/zinc/96/04/45/542960445.db2.gz JZFRGWSILJXYBF-HNNXBMFYSA-N 1 0 359.499 2.190 50 0 FEAARO Cc1cccc(=O)n1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095380590 542965485 /nfs/dbraw/zinc/96/54/85/542965485.db2.gz FLHDVKRZCSYBCN-RTBURBONSA-N 1 0 357.498 2.270 50 0 FEAARO O[C@H]1CCCOC12CC[NH+](Cc1ccccc1OCCn1ccnc1)CC2 ZINC000095390997 542968013 /nfs/dbraw/zinc/96/80/13/542968013.db2.gz PQYRSNAZAJXGTN-FQEVSTJZSA-N 1 0 371.481 2.468 50 0 FEAARO CN(CCC[NH+]1CCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000095444963 542970234 /nfs/dbraw/zinc/97/02/34/542970234.db2.gz GPTVDJHVUDBRJM-UHFFFAOYSA-N 1 0 355.280 2.200 50 0 FEAARO C[NH+](C)CCOCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000095465566 542971617 /nfs/dbraw/zinc/97/16/17/542971617.db2.gz GALFOPAIFGAFJM-UHFFFAOYSA-N 1 0 351.447 2.186 50 0 FEAARO COC(=O)[C@H](Cc1ccco1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095465970 542971946 /nfs/dbraw/zinc/97/19/46/542971946.db2.gz YLMMWLVZIWKXRA-LJQANCHMSA-N 1 0 370.449 2.392 50 0 FEAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3N)C2)cc1 ZINC000095504048 542975048 /nfs/dbraw/zinc/97/50/48/542975048.db2.gz PVHVDMQTQNETOJ-KRWDZBQOSA-N 1 0 368.481 2.243 50 0 FEAARO C[C@@H]1Cc2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@H+]4C)ccc2O1 ZINC000095509093 542976776 /nfs/dbraw/zinc/97/67/76/542976776.db2.gz NVHXAOFAGWFPLQ-CQSZACIVSA-N 1 0 366.465 2.353 50 0 FEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000095516811 542977741 /nfs/dbraw/zinc/97/77/41/542977741.db2.gz XUDQYSNOEXQALZ-SFHVURJKSA-N 1 0 357.458 2.447 50 0 FEAARO Cc1cc(C)n2ncc(C[NH+]3CCC4(CC3)c3[nH]cnc3CCN4C)c2n1 ZINC000095531835 542983182 /nfs/dbraw/zinc/98/31/82/542983182.db2.gz INEABJMTMGHRDS-UHFFFAOYSA-N 1 0 365.485 2.048 50 0 FEAARO O=C(NCc1cc2ccccc2[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112214684 543434875 /nfs/dbraw/zinc/43/48/75/543434875.db2.gz QLBZFDFVRBZKFD-INIZCTEOSA-N 1 0 356.470 2.422 50 0 FEAARO CC[C@@]1(O)CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC000072474475 221546982 /nfs/dbraw/zinc/54/69/82/221546982.db2.gz KSGNNHZSQKUKNM-TZIWHRDSSA-N 1 0 360.498 2.023 50 0 FEAARO Cn1ccnc1[C@H]1CCCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082106936 221700854 /nfs/dbraw/zinc/70/08/54/221700854.db2.gz QHKHRJFAEUOESF-KRWDZBQOSA-N 1 0 360.502 2.017 50 0 FEAARO CNC(=O)c1ccc(C[N@@H+]2C[C@H](NC(=O)C3CCC3)[C@@H](C(C)C)C2)cc1 ZINC000091808306 221798957 /nfs/dbraw/zinc/79/89/57/221798957.db2.gz GQCDBOJKUCGTIM-MOPGFXCFSA-N 1 0 357.498 2.419 50 0 FEAARO Cc1ccc([C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)N(C)C)cc1 ZINC000095374425 221877506 /nfs/dbraw/zinc/87/75/06/221877506.db2.gz BTRUFSZPBWFMEF-HXUWFJFHSA-N 1 0 359.514 2.169 50 0 FEAARO O=C([C@H]1CCC[NH2+]1)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095386530 221891735 /nfs/dbraw/zinc/89/17/35/221891735.db2.gz PLIKCKAYHGAVPZ-MTCRFPMVSA-N 1 0 367.493 2.293 50 0 FEAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCCNC(=O)c2ccc(F)cc2F)C1 ZINC000095408055 221899922 /nfs/dbraw/zinc/89/99/22/221899922.db2.gz QECIBAMOIHSKIB-HUUCEWRRSA-N 1 0 367.440 2.464 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccccc2-n2cccn2)CC1 ZINC000095525549 221952245 /nfs/dbraw/zinc/95/22/45/221952245.db2.gz QSLVWAATTSAGLO-LJQANCHMSA-N 1 0 357.458 2.183 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2C)C[N@@H+]1C1CCCC1 ZINC000096137225 222040837 /nfs/dbraw/zinc/04/08/37/222040837.db2.gz NJXPJEFRPURSJR-HKUYNNGSSA-N 1 0 357.498 2.175 50 0 FEAARO CSCCc1nc(CCN2CC[NH+](C)CC2)n(Cc2cccc(C)c2)n1 ZINC000096136707 222041132 /nfs/dbraw/zinc/04/11/32/222041132.db2.gz PBHJPQNNZRKJIK-UHFFFAOYSA-N 1 0 373.570 2.330 50 0 FEAARO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2C[C@@H](CO)[N@H+](C)C2)c1 ZINC000096148596 222050818 /nfs/dbraw/zinc/05/08/18/222050818.db2.gz CAXCWYOZOSNNSQ-OLZOCXBDSA-N 1 0 369.849 2.092 50 0 FEAARO OC[C@H]1CCC[N@H+](CCNc2ncnc3c2Cc2ccccc2OC3)C1 ZINC000096149029 222050855 /nfs/dbraw/zinc/05/08/55/222050855.db2.gz DGYTYEGQOVKSPM-HNNXBMFYSA-N 1 0 354.454 2.076 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)Nc1ccnn1CC1CCCCC1 ZINC000096150952 222051302 /nfs/dbraw/zinc/05/13/02/222051302.db2.gz HDYCNAFQUUCLNA-QGZVFWFLSA-N 1 0 363.506 2.432 50 0 FEAARO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000097162460 222165609 /nfs/dbraw/zinc/16/56/09/222165609.db2.gz MXLJRKVHTYZNHD-KGLIPLIRSA-N 1 0 367.453 2.340 50 0 FEAARO CC[C@@H](CNc1ncnc2c1Cc1ccccc1OC2)N1CC[NH+](C)CC1 ZINC000097655408 222203009 /nfs/dbraw/zinc/20/30/09/222203009.db2.gz PNLCNHCXCCCFRF-KRWDZBQOSA-N 1 0 367.497 2.398 50 0 FEAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(Cl)o1 ZINC000097823482 222215841 /nfs/dbraw/zinc/21/58/41/222215841.db2.gz BTTPNZSRNBTJMO-JMARDNNUSA-N 1 0 371.868 2.230 50 0 FEAARO O=c1cc(C[NH+]2CCCCCC2)nc2[nH]c(NCc3ccccc3)nn21 ZINC000101795671 222283836 /nfs/dbraw/zinc/28/38/36/222283836.db2.gz FRAYKWGIUXZZLV-UHFFFAOYSA-N 1 0 352.442 2.406 50 0 FEAARO COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cc1 ZINC000102846132 222310178 /nfs/dbraw/zinc/31/01/78/222310178.db2.gz YFLMSLDQWFZSTQ-RUENVJTFSA-N 1 0 354.454 2.225 50 0 FEAARO CCOc1ccccc1CN1CCN(Cc2cnn(C)c2C)C[C@H]1CCO ZINC000104384148 222357564 /nfs/dbraw/zinc/35/75/64/222357564.db2.gz OFVIJKQZSHKRSK-HXUWFJFHSA-N 1 0 372.513 2.196 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000105627196 222372272 /nfs/dbraw/zinc/37/22/72/222372272.db2.gz SUKOJZGCACLAFD-LJQANCHMSA-N 1 0 351.922 2.303 50 0 FEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000133123507 544257146 /nfs/dbraw/zinc/25/71/46/544257146.db2.gz YXAUKDZFMRHKOP-LLVKDONJSA-N 1 0 364.243 2.115 50 0 FEAARO Cc1cc(C)n(-c2ccc(C(=O)NCC3([NH+](C)C)CCOCC3)cc2)n1 ZINC000073131876 263423955 /nfs/dbraw/zinc/42/39/55/263423955.db2.gz PORZZPXZNSTEBC-UHFFFAOYSA-N 1 0 356.470 2.330 50 0 FEAARO NC(=O)c1ccnc(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)c1 ZINC000426477724 263599212 /nfs/dbraw/zinc/59/92/12/263599212.db2.gz KLJXVFWYKFRJIK-UHFFFAOYSA-N 1 0 366.465 2.453 50 0 FEAARO [NH3+]CC[C@@H]1CN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CCO1 ZINC000426487824 263602950 /nfs/dbraw/zinc/60/29/50/263602950.db2.gz BYQQBHDFXSFQHJ-MRXNPFEDSA-N 1 0 350.422 2.420 50 0 FEAARO O=S(=O)(C1CCOCC1)N1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000193001667 328351624 /nfs/dbraw/zinc/35/16/24/328351624.db2.gz DANAAZPRJHSGQE-QGZVFWFLSA-N 1 0 368.499 2.220 50 0 FEAARO Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CCN(c3ncccn3)CC1)CCC2 ZINC000133703827 326613495 /nfs/dbraw/zinc/61/34/95/326613495.db2.gz MSGMNPPZRRDNCX-INIZCTEOSA-N 1 0 372.542 2.421 50 0 FEAARO CC(C)[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1NS(C)(=O)=O ZINC000082160333 519804367 /nfs/dbraw/zinc/80/43/67/519804367.db2.gz HOIQXASCJNQJRN-DLBZAZTESA-N 1 0 358.479 2.100 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(OCc3cscn3)c(OC)c2)C1 ZINC000179024849 522055102 /nfs/dbraw/zinc/05/51/02/522055102.db2.gz LHQCIKFCXCQXIP-ZDUSSCGKSA-N 1 0 361.467 2.412 50 0 FEAARO COc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc(OC)c1Br ZINC000153170325 522095617 /nfs/dbraw/zinc/09/56/17/522095617.db2.gz CBYZGQSAPZRRDZ-UWVGGRQHSA-N 1 0 357.248 2.289 50 0 FEAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c(F)c1 ZINC000082120149 524028824 /nfs/dbraw/zinc/02/88/24/524028824.db2.gz DFRRFBBKDJPPHH-HXUWFJFHSA-N 1 0 364.461 2.421 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C[C@@H](C)[NH2+]1 ZINC000154205618 524860688 /nfs/dbraw/zinc/86/06/88/524860688.db2.gz YRZZUIFAFIAWCM-ZIAGYGMSSA-N 1 0 359.857 2.372 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000269235953 525009660 /nfs/dbraw/zinc/00/96/60/525009660.db2.gz BMFNVJIQZWIONK-VXGBXAGGSA-N 1 0 350.850 2.069 50 0 FEAARO CSCCC[NH+]1CCC2(CCN(Cc3nc(C)c[nH]3)C[C@H]2CO)CC1 ZINC000097815461 525446583 /nfs/dbraw/zinc/44/65/83/525446583.db2.gz GEQPZZLSLISCMM-KRWDZBQOSA-N 1 0 366.575 2.368 50 0 FEAARO Cc1c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000153570556 525598325 /nfs/dbraw/zinc/59/83/25/525598325.db2.gz QMTAXAFENCZKQB-KBPBESRZSA-N 1 0 357.458 2.185 50 0 FEAARO O=C1NCCC[C@]12CC[N@H+](Cc1ccc(OCCn3ccnc3)cc1)C2 ZINC000091616454 527066288 /nfs/dbraw/zinc/06/62/88/527066288.db2.gz SZOANXVMCLYSTF-HXUWFJFHSA-N 1 0 354.454 2.064 50 0 FEAARO C[NH+]1CCC(N2CCN(c3cccc(C(F)(F)F)n3)C[C@@H]2CCO)CC1 ZINC000072463819 536339524 /nfs/dbraw/zinc/33/95/24/536339524.db2.gz JMRZGEHGJUHOPH-HNNXBMFYSA-N 1 0 372.435 2.068 50 0 FEAARO C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000170599321 546163727 /nfs/dbraw/zinc/16/37/27/546163727.db2.gz QGAMAASPSHXDKU-CRAIPNDOSA-N 1 0 369.465 2.425 50 0 FEAARO Cn1cc([C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000194442152 548482989 /nfs/dbraw/zinc/48/29/89/548482989.db2.gz IMZADKMODBUKTB-RTBURBONSA-N 1 0 367.497 2.441 50 0 FEAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCCN(c3ncccn3)CC1)CO2 ZINC000215794224 548674596 /nfs/dbraw/zinc/67/45/96/548674596.db2.gz WOQOUUJDPCIXKD-UHFFFAOYSA-N 1 0 352.438 2.473 50 0 FEAARO CNC(=O)c1cc2c(s1)CCN(C(=O)Cc1cnc3c(C)cccn13)C2 ZINC000215820447 548674619 /nfs/dbraw/zinc/67/46/19/548674619.db2.gz ISZNTKBKNIYCLC-UHFFFAOYSA-N 1 0 368.462 2.191 50 0 FEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216346757 548677436 /nfs/dbraw/zinc/67/74/36/548677436.db2.gz CMYBYNOZBHPXRW-VQTJNVASSA-N 1 0 359.514 2.066 50 0 FEAARO C[NH+](C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccccc1Cl ZINC000218968108 548691045 /nfs/dbraw/zinc/69/10/45/548691045.db2.gz NDZCDQZLUZKLJK-IAGOWNOFSA-N 1 0 354.878 2.125 50 0 FEAARO CC(=O)c1c(C)nn(CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000219730106 548696551 /nfs/dbraw/zinc/69/65/51/548696551.db2.gz IFBQMKHTDBITEK-LJQANCHMSA-N 1 0 368.481 2.341 50 0 FEAARO O=C(C1CC1)N1CCC([NH2+][C@@H]2CCOC[C@H]2OCc2ccccc2)CC1 ZINC000220372010 548699384 /nfs/dbraw/zinc/69/93/84/548699384.db2.gz RHGNMTNMVMEJQR-WOJBJXKFSA-N 1 0 358.482 2.351 50 0 FEAARO C[NH+]1CCN([C@H]2CCN(C(=O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000221361164 548705402 /nfs/dbraw/zinc/70/54/02/548705402.db2.gz ZLYDQXCHEPMBKP-HNNXBMFYSA-N 1 0 355.404 2.096 50 0 FEAARO CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCC[C@H]1c1cccn1C ZINC000230064721 548757984 /nfs/dbraw/zinc/75/79/84/548757984.db2.gz MRUQWLWBGRMFAJ-ICSRJNTNSA-N 1 0 353.466 2.479 50 0 FEAARO Cc1ccccc1OCCCN(C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237115021 548800784 /nfs/dbraw/zinc/80/07/84/548800784.db2.gz MPFPHDGVBZEABD-UHFFFAOYSA-N 1 0 357.458 2.052 50 0 FEAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000237147063 548803666 /nfs/dbraw/zinc/80/36/66/548803666.db2.gz FRODLMCGRSRSGW-HNNXBMFYSA-N 1 0 363.259 2.459 50 0 FEAARO COc1ccccc1[C@H]1CCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000237292410 548814931 /nfs/dbraw/zinc/81/49/31/548814931.db2.gz FGLBQWMGTSFQCR-QGZVFWFLSA-N 1 0 369.469 2.497 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Br)c2)C1 ZINC000237319465 548817145 /nfs/dbraw/zinc/81/71/45/548817145.db2.gz FLARBORANAODPQ-SNVBAGLBSA-N 1 0 365.268 2.208 50 0 FEAARO Cc1nc(C[C@H]2CCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C2)no1 ZINC000237677846 548844259 /nfs/dbraw/zinc/84/42/59/548844259.db2.gz WKLGHFDBFDMMCO-QGZVFWFLSA-N 1 0 368.481 2.481 50 0 FEAARO O=S(=O)(NC[C@H]1CCCC[NH2+]1)c1c(F)cccc1Br ZINC000237743430 548849862 /nfs/dbraw/zinc/84/98/62/548849862.db2.gz WHPRRFCXAWJQNL-SECBINFHSA-N 1 0 351.241 2.009 50 0 FEAARO Cc1c(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000237759481 548850707 /nfs/dbraw/zinc/85/07/07/548850707.db2.gz ZGLSBIZKPAEMAE-KBXCAEBGSA-N 1 0 369.469 2.113 50 0 FEAARO Ic1cnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000239807533 548884168 /nfs/dbraw/zinc/88/41/68/548884168.db2.gz CSTCQEFDAYUUCP-SNVBAGLBSA-N 1 0 363.268 2.418 50 0 FEAARO CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1)Cc1ccc2c(c1)OCO2 ZINC000244601949 548891053 /nfs/dbraw/zinc/89/10/53/548891053.db2.gz DUYPBABOJUXYFU-HDJSIYSDSA-N 1 0 355.442 2.178 50 0 FEAARO CNc1cc([C@H]2C[C@H](Nc3nc(N)nc(C)c3Cl)C2)nc(COC)n1 ZINC000244708144 548892360 /nfs/dbraw/zinc/89/23/60/548892360.db2.gz KOLBPMPFEAMDSH-MGCOHNPYSA-N 1 0 363.853 2.357 50 0 FEAARO Cc1nonc1N1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000244758153 548894823 /nfs/dbraw/zinc/89/48/23/548894823.db2.gz OTEQEIFBIDWCQG-GOSISDBHSA-N 1 0 369.469 2.081 50 0 FEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000244795804 548896374 /nfs/dbraw/zinc/89/63/74/548896374.db2.gz RNYTYDYSVBYMHY-MJGOQNOKSA-N 1 0 355.482 2.026 50 0 FEAARO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NCCc1ccc(OC)cc1 ZINC000247817387 549384572 /nfs/dbraw/zinc/38/45/72/549384572.db2.gz GPAFMBNSVUMKLE-QRQLOZEOSA-N 1 0 374.481 2.160 50 0 FEAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cnc2c(c1)ncn2C ZINC000248044002 549402515 /nfs/dbraw/zinc/40/25/15/549402515.db2.gz OZKRAZLMOBRBLR-DLBZAZTESA-N 1 0 350.422 2.357 50 0 FEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3[nH]nc4c3COCC4)CC2)o1 ZINC000252496803 549669922 /nfs/dbraw/zinc/66/99/22/549669922.db2.gz PSCOANWTCZOHIP-UHFFFAOYSA-N 1 0 358.442 2.026 50 0 FEAARO CCCCCN(C)c1ccc(F)cc1CN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000252513151 549672192 /nfs/dbraw/zinc/67/21/92/549672192.db2.gz XQSPDIKZWJAUDY-QGZVFWFLSA-N 1 0 362.449 2.188 50 0 FEAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N(C)Cc2noc3c2CCCC3)n1 ZINC000252550399 549673843 /nfs/dbraw/zinc/67/38/43/549673843.db2.gz SNLVUBAHAOXNFE-JOCQHMNTSA-N 1 0 357.458 2.331 50 0 FEAARO CCn1c(CN(C)Cc2cc(-c3ccncc3)no2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252552039 549673997 /nfs/dbraw/zinc/67/39/97/549673997.db2.gz UMOILVWWAOETAY-SHTZXODSSA-N 1 0 367.457 2.185 50 0 FEAARO COCCc1noc([C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]2CO)n1 ZINC000253398456 549685922 /nfs/dbraw/zinc/68/59/22/549685922.db2.gz CDWKMGYZGSMYQV-DZGCQCFKSA-N 1 0 351.834 2.120 50 0 FEAARO CC(C)C[N@H+]1CCc2nnc([C@@H]3CCN(C(=O)c4ccccc4)C3)n2CC1 ZINC000257179880 549712675 /nfs/dbraw/zinc/71/26/75/549712675.db2.gz CZRTZZHVLCNSKC-GOSISDBHSA-N 1 0 367.497 2.422 50 0 FEAARO CC[C@@H]1c2nccn2CCCN1C(=O)c1noc(C)c1Cn1cccn1 ZINC000257182189 549712901 /nfs/dbraw/zinc/71/29/01/549712901.db2.gz GGNLUFZDHAMHPI-OAHLLOKOSA-N 1 0 354.414 2.422 50 0 FEAARO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cncc(C(F)(F)F)c1 ZINC000289862902 552391185 /nfs/dbraw/zinc/39/11/85/552391185.db2.gz GTYJIKTUGOWMAB-LBPRGKRZSA-N 1 0 357.376 2.331 50 0 FEAARO NC(=O)c1cncc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000301726948 553674534 /nfs/dbraw/zinc/67/45/34/553674534.db2.gz VNQMISFMNIGETH-AEFFLSMTSA-N 1 0 351.454 2.066 50 0 FEAARO CC(C)(C)S(=O)(=O)c1ccc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000333902324 554654061 /nfs/dbraw/zinc/65/40/61/554654061.db2.gz ZMFSGTFCOXEQDD-LSDHHAIUSA-N 1 0 351.516 2.480 50 0 FEAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](Cc1cnn3cccnc13)CC2 ZINC000426493910 559735688 /nfs/dbraw/zinc/73/56/88/559735688.db2.gz CTBAUZMQMHUKTN-SFHVURJKSA-N 1 0 361.449 2.368 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1cccc(-c2ncccc2N)c1 ZINC000426521472 559736636 /nfs/dbraw/zinc/73/66/36/559736636.db2.gz QIUPFIVHXCARDZ-ROUUACIJSA-N 1 0 354.454 2.168 50 0 FEAARO COc1ccc(CN(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)C2CC2)cc1 ZINC000426551307 559737559 /nfs/dbraw/zinc/73/75/59/559737559.db2.gz NZEZNIAHCJUQEB-SFHVURJKSA-N 1 0 361.486 2.216 50 0 FEAARO C[N@H+](CCNC(=O)N1CCC[C@H](Cn2ccnc2)C1)CCc1ccccc1 ZINC000426701413 559740639 /nfs/dbraw/zinc/74/06/39/559740639.db2.gz LIEGYQYIQASFJB-HXUWFJFHSA-N 1 0 369.513 2.479 50 0 FEAARO CC(=O)N(C)c1cccc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529005966 562356259 /nfs/dbraw/zinc/35/62/59/562356259.db2.gz ZYTIWLMCEHVIDP-UHFFFAOYSA-N 1 0 374.485 2.388 50 0 FEAARO Cc1c2ccccc2[nH]c1CN(C)C(=O)NCC[NH+]1CCC(CO)CC1 ZINC000534590759 562537773 /nfs/dbraw/zinc/53/77/73/562537773.db2.gz HZFROZRMRHUXAD-UHFFFAOYSA-N 1 0 358.486 2.322 50 0 FEAARO COc1ccc(-c2noc([C@@H](C)NC(=O)N3CCC[N@H+](C)CC3)n2)cc1 ZINC000534640082 562538939 /nfs/dbraw/zinc/53/89/39/562538939.db2.gz ILWCKTSGPIQIHH-CYBMUJFWSA-N 1 0 359.430 2.153 50 0 FEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)NCCc1nc(C2CC2)no1 ZINC000584901498 570510303 /nfs/dbraw/zinc/51/03/03/570510303.db2.gz LRXZJMFQWPQHNK-QGZVFWFLSA-N 1 0 369.469 2.188 50 0 FEAARO COc1ccc(C(=O)NCc2c[nH]nc2-c2ccccc2)c(OCC[NH3+])c1 ZINC000426477209 570606176 /nfs/dbraw/zinc/60/61/76/570606176.db2.gz KRDBMSCQWGUSEU-UHFFFAOYSA-N 1 0 366.421 2.353 50 0 FEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(-n2cncn2)nc1 ZINC000048132330 570935025 /nfs/dbraw/zinc/93/50/25/570935025.db2.gz XEEWYOYZJXJASU-OAHLLOKOSA-N 1 0 367.413 2.214 50 0 FEAARO CC1CC[NH+](CCNC(=O)NCc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000049201902 570962174 /nfs/dbraw/zinc/96/21/74/570962174.db2.gz ZTZGXLGDGJBAHZ-UHFFFAOYSA-N 1 0 372.513 2.454 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3CC4(CCC4)[C@H]3[C@H]3CCCO3)c[nH]2)CC1 ZINC000685941770 571102043 /nfs/dbraw/zinc/10/20/43/571102043.db2.gz IHMPDYXXZQEAEQ-IAGOWNOFSA-N 1 0 358.486 2.393 50 0 FEAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(=O)[nH]n1 ZINC000022701264 571131548 /nfs/dbraw/zinc/13/15/48/571131548.db2.gz WKKMBWXAYPGAAA-UHFFFAOYSA-N 1 0 354.414 2.126 50 0 FEAARO COc1ccccc1CNC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000426419793 571222565 /nfs/dbraw/zinc/22/25/65/571222565.db2.gz PCGPWNKLBFYVOZ-GOSISDBHSA-N 1 0 361.486 2.482 50 0 FEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccccc3OC)CC2)C1 ZINC000426438524 571225126 /nfs/dbraw/zinc/22/51/26/571225126.db2.gz CTHAZJADPZMOCO-SFHVURJKSA-N 1 0 374.529 2.254 50 0 FEAARO Cc1cnc(C)c(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)cc2)n1 ZINC000426440463 571225484 /nfs/dbraw/zinc/22/54/84/571225484.db2.gz ZWNFNOHMOIGJQX-LJQANCHMSA-N 1 0 368.481 2.337 50 0 FEAARO CC(C)Nc1ncc(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cn1 ZINC000230577662 571309527 /nfs/dbraw/zinc/30/95/27/571309527.db2.gz DFYZRLGFHLFYEX-GOSISDBHSA-N 1 0 356.474 2.343 50 0 FEAARO CC(C)n1ncnc1-c1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1 ZINC000584887482 571314122 /nfs/dbraw/zinc/31/41/22/571314122.db2.gz QPBIRBPGZVRRNL-ROUUACIJSA-N 1 0 369.469 2.119 50 0 FEAARO CC[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000584895785 571315331 /nfs/dbraw/zinc/31/53/31/571315331.db2.gz XUWMZEZNSFQCAS-LJQANCHMSA-N 1 0 374.529 2.265 50 0 FEAARO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000584897260 571315647 /nfs/dbraw/zinc/31/56/47/571315647.db2.gz ZAFYDPATVAHNTQ-HNNXBMFYSA-N 1 0 352.429 2.281 50 0 FEAARO CC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2)C3)CC1 ZINC000015779417 571351696 /nfs/dbraw/zinc/35/16/96/571351696.db2.gz JATTXQYSIXOYMQ-UHFFFAOYSA-N 1 0 355.461 2.316 50 0 FEAARO Cc1cc(C)cc(CSCC(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000670452447 571352755 /nfs/dbraw/zinc/35/27/55/571352755.db2.gz AIMSWACZBJMDOH-SFHVURJKSA-N 1 0 350.528 2.500 50 0 FEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1ccc2nnnn2c1 ZINC000670458238 571355466 /nfs/dbraw/zinc/35/54/66/571355466.db2.gz VFYAJTVYWIDFPN-SFHVURJKSA-N 1 0 364.453 2.471 50 0 FEAARO C[NH+]1CCC(N2CCN(Cc3ccccc3Cl)C[C@H]2CCO)CC1 ZINC000257371921 672899464 /nfs/dbraw/zinc/89/94/64/672899464.db2.gz UNNDCFOSOFZAQL-GOSISDBHSA-N 1 0 351.922 2.303 50 0 FEAARO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 ZINC000652384248 677485609 /nfs/dbraw/zinc/48/56/09/677485609.db2.gz UROWPNSDGLNQMS-ZACQAIPSSA-N 1 0 356.463 2.016 50 0 FEAARO CCS(=O)(=O)NCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000672578100 679383643 /nfs/dbraw/zinc/38/36/43/679383643.db2.gz REBNZOVFLCAMAW-UHFFFAOYSA-N 1 0 353.463 2.426 50 0 FEAARO [NH3+]CCc1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000001295221 210224436 /nfs/dbraw/zinc/22/44/36/210224436.db2.gz ULYWEZOJEYXQPA-UHFFFAOYSA-N 1 0 357.233 2.064 50 0 FEAARO C[NH2+]C1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000237101374 210208567 /nfs/dbraw/zinc/20/85/67/210208567.db2.gz NIOAKEKEFBNGLX-UHFFFAOYSA-N 1 0 367.696 2.475 50 0 FEAARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1C[C@H]1CCCO1 ZINC000003605673 539372127 /nfs/dbraw/zinc/37/21/27/539372127.db2.gz OLHQUXDSLULDGV-GFCCVEGCSA-N 1 0 361.471 2.213 50 0 FEAARO Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1C[C@@H]1CCCO1 ZINC000003605675 539372267 /nfs/dbraw/zinc/37/22/67/539372267.db2.gz OLHQUXDSLULDGV-LBPRGKRZSA-N 1 0 361.471 2.213 50 0 FEAARO C[NH+](C)CCN(C(=O)C1=COCCO1)c1nc2c(cc(F)cc2F)s1 ZINC000004359428 539383567 /nfs/dbraw/zinc/38/35/67/539383567.db2.gz WMUMKSHSMVVTGN-UHFFFAOYSA-N 1 0 369.393 2.357 50 0 FEAARO Cc1ccc(CCN2C[C@@H](C(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004710997 539390528 /nfs/dbraw/zinc/39/05/28/539390528.db2.gz RYVLNWLRZHNLQK-FQEVSTJZSA-N 1 0 371.525 2.378 50 0 FEAARO CCn1c(=O)cc(OCC(=O)NCCC[NH+](CC)CC)c2ccccc21 ZINC000005067103 539400961 /nfs/dbraw/zinc/40/09/61/539400961.db2.gz NZRNNMWVABUMFJ-UHFFFAOYSA-N 1 0 359.470 2.248 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12 ZINC000005067593 539401220 /nfs/dbraw/zinc/40/12/20/539401220.db2.gz MSJRYDSABXPAOZ-MRXNPFEDSA-N 1 0 371.481 2.298 50 0 FEAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCC(=O)NC1CCCCC1 ZINC000005065000 539401347 /nfs/dbraw/zinc/40/13/47/539401347.db2.gz QYAKFMIECSAPJJ-UHFFFAOYSA-N 1 0 364.486 2.383 50 0 FEAARO CC[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006784895 539436784 /nfs/dbraw/zinc/43/67/84/539436784.db2.gz WBKGJHOCINBDKK-UONOGXRCSA-N 1 0 353.488 2.186 50 0 FEAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[NH+](C)C ZINC000006940063 539441991 /nfs/dbraw/zinc/44/19/91/539441991.db2.gz MXXLIMABMMQLHT-UHFFFAOYSA-N 1 0 355.417 2.402 50 0 FEAARO CCn1nnc2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC000007782033 539466546 /nfs/dbraw/zinc/46/65/46/539466546.db2.gz JLOCVBMFAHDOGQ-UHFFFAOYSA-N 1 0 364.453 2.455 50 0 FEAARO CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000008939808 539494541 /nfs/dbraw/zinc/49/45/41/539494541.db2.gz PYSKQIVPXMCSAA-UHFFFAOYSA-N 1 0 372.513 2.390 50 0 FEAARO CCOC(=O)c1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000009206796 539498505 /nfs/dbraw/zinc/49/85/05/539498505.db2.gz HAVAJRDIWWGYJC-UHFFFAOYSA-N 1 0 369.303 2.424 50 0 FEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2oc1=O ZINC000009688399 539506324 /nfs/dbraw/zinc/50/63/24/539506324.db2.gz MFCVUOFAGFMIOT-UHFFFAOYSA-N 1 0 353.422 2.185 50 0 FEAARO COC(=O)c1ccc2c(c1)nc(CSC1=[NH+][C@@H]3CCCC[C@@H]3N1)[nH]c2=O ZINC000009478033 539502915 /nfs/dbraw/zinc/50/29/15/539502915.db2.gz SQDSGKHIVOCLCR-BETUJISGSA-N 1 0 372.450 2.213 50 0 FEAARO O=C(c1cc[n+]([O-])cc1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000011814175 210101182 /nfs/dbraw/zinc/10/11/82/210101182.db2.gz AXELBCQIDKKPIL-QFIPXVFZSA-N 1 0 365.477 2.491 50 0 FEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000094870894 210079108 /nfs/dbraw/zinc/07/91/08/210079108.db2.gz MSIWXWCTOIBVHK-SECBINFHSA-N 1 0 353.307 2.192 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-n2cnnn2)ccc1Cl ZINC000012296319 539552256 /nfs/dbraw/zinc/55/22/56/539552256.db2.gz BCZKYLBFKNXXNI-SUMWQHHRSA-N 1 0 374.876 2.310 50 0 FEAARO CC(=O)c1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)no2)cc1 ZINC000012314435 539553871 /nfs/dbraw/zinc/55/38/71/539553871.db2.gz HTAISWMPYSXUFW-INIZCTEOSA-N 1 0 369.421 2.376 50 0 FEAARO CC(=O)c1ccc(OCc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)no2)cc1 ZINC000012314434 539554115 /nfs/dbraw/zinc/55/41/15/539554115.db2.gz HTAISWMPYSXUFW-MRXNPFEDSA-N 1 0 369.421 2.376 50 0 FEAARO O=C(c1coc(COc2cccc(F)c2F)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012429792 539559202 /nfs/dbraw/zinc/55/92/02/539559202.db2.gz AFEXLKTXMKXHBX-LBPRGKRZSA-N 1 0 363.364 2.452 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000122271458 210046235 /nfs/dbraw/zinc/04/62/35/210046235.db2.gz SVNBTONSHVZMNZ-ZWNOBZJWSA-N 1 0 364.389 2.322 50 0 FEAARO Cn1nccc1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012436297 539560472 /nfs/dbraw/zinc/56/04/72/539560472.db2.gz IZZDJAKABUBCPU-GOSISDBHSA-N 1 0 353.470 2.189 50 0 FEAARO C[NH+](C)CCCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012456807 539561391 /nfs/dbraw/zinc/56/13/91/539561391.db2.gz JEBFMHAOGQMNEB-AWEZNQCLSA-N 1 0 371.403 2.264 50 0 FEAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(-c3ccncc3F)c2)C[C@H]1O ZINC000299802224 210042527 /nfs/dbraw/zinc/04/25/27/210042527.db2.gz SIFCKMIPLNNKBK-QFBILLFUSA-N 1 0 357.429 2.272 50 0 FEAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CCn1cncn1 ZINC000012458663 539560968 /nfs/dbraw/zinc/56/09/68/539560968.db2.gz RVQCEWNZWGMCIW-KRWDZBQOSA-N 1 0 373.476 2.220 50 0 FEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3cc(C)n(C)n3)O2)CC1 ZINC000012455135 539560988 /nfs/dbraw/zinc/56/09/88/539560988.db2.gz YMNVKKKKWTZPBH-KRWDZBQOSA-N 1 0 360.502 2.438 50 0 FEAARO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1-n1cnnc1 ZINC000299792033 210033189 /nfs/dbraw/zinc/03/31/89/210033189.db2.gz DYMKUWZOANVKHL-UHFFFAOYSA-N 1 0 369.469 2.032 50 0 FEAARO Cc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3)C2)c(OCCC[NH3+])c1 ZINC000299777944 210023441 /nfs/dbraw/zinc/02/34/41/210023441.db2.gz LXJOBCUUQPKPOL-QGZVFWFLSA-N 1 0 356.470 2.472 50 0 FEAARO O=C(c1ccc(Cn2ccnc2)o1)N1CC[NH+](C2CCSCC2)CC1 ZINC000299767453 210015518 /nfs/dbraw/zinc/01/55/18/210015518.db2.gz GVUDCFZWVKIMDD-UHFFFAOYSA-N 1 0 360.483 2.178 50 0 FEAARO CN(Cc1cnc2ccccc2n1)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299759835 210011471 /nfs/dbraw/zinc/01/14/71/210011471.db2.gz NSFUAAZEAJVMGD-UHFFFAOYSA-N 1 0 368.481 2.479 50 0 FEAARO COc1ccc([C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223309969 222772816 /nfs/dbraw/zinc/77/28/16/222772816.db2.gz ZYZCCMZRGBADSP-SZVBFZGTSA-N 1 0 361.486 2.139 50 0 FEAARO CN1c2cc(C(=O)NCC[NH+]3CCCCC3)ccc2N2CCCC[C@H]2C1=O ZINC000021938495 539690032 /nfs/dbraw/zinc/69/00/32/539690032.db2.gz OTRLWZLTBNFFSG-SFHVURJKSA-N 1 0 370.497 2.238 50 0 FEAARO COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000023127369 539706797 /nfs/dbraw/zinc/70/67/97/539706797.db2.gz GBXFOZDJKLYKOF-UHFFFAOYSA-N 1 0 361.486 2.223 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccsc1 ZINC000025331966 539756267 /nfs/dbraw/zinc/75/62/67/539756267.db2.gz SGLXLUUHNKTONM-OAHLLOKOSA-N 1 0 367.496 2.152 50 0 FEAARO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507762 539761022 /nfs/dbraw/zinc/76/10/22/539761022.db2.gz GJLULJIQVCYPGX-QFBILLFUSA-N 1 0 357.498 2.054 50 0 FEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(=O)CC)cc2)C1 ZINC000001050390 219359907 /nfs/dbraw/zinc/35/99/07/219359907.db2.gz XHGFHHHCWUPLHA-IAGOWNOFSA-N 1 0 363.454 2.294 50 0 FEAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2COCCO2)cc1 ZINC000030844802 539891652 /nfs/dbraw/zinc/89/16/52/539891652.db2.gz ZVPZBCNQZAWAKS-FQEVSTJZSA-N 1 0 354.450 2.447 50 0 FEAARO Cc1ccsc1C[N@H+](C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000032804010 539953312 /nfs/dbraw/zinc/95/33/12/539953312.db2.gz UBWKSQKHFGUXRB-UHFFFAOYSA-N 1 0 359.499 2.017 50 0 FEAARO CC(=O)N1C[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+](C)C)Oc2ccccc21 ZINC000032819031 539954539 /nfs/dbraw/zinc/95/45/39/539954539.db2.gz IDUOSKUZUIWCTQ-QUCCMNQESA-N 1 0 367.449 2.220 50 0 FEAARO CC(=O)CC(C)(C)NC(=O)CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000032853371 539956098 /nfs/dbraw/zinc/95/60/98/539956098.db2.gz CNWSEBGMAPEXMZ-UHFFFAOYSA-N 1 0 359.514 2.111 50 0 FEAARO CCC[NH+]1CCN(C(=O)CCn2c3cc(C)c(C)cc3nc(C)c2=O)CC1 ZINC000033005549 539963056 /nfs/dbraw/zinc/96/30/56/539963056.db2.gz LLNHCFYQQXEACK-UHFFFAOYSA-N 1 0 370.497 2.266 50 0 FEAARO C[NH+](C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1ccco1 ZINC000033538519 539974810 /nfs/dbraw/zinc/97/48/10/539974810.db2.gz ZABTXXOBJAWKDY-QWPQOLDESA-N 1 0 356.378 2.412 50 0 FEAARO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000035251555 539980020 /nfs/dbraw/zinc/98/00/20/539980020.db2.gz JTAVMKVAULZSAG-UHFFFAOYSA-N 1 0 365.268 2.102 50 0 FEAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036095710 539986761 /nfs/dbraw/zinc/98/67/61/539986761.db2.gz POZYDVQQEPENTB-INIZCTEOSA-N 1 0 355.475 2.328 50 0 FEAARO Cc1ccccc1C[N@H+](CCN1CCOCC1)C[C@@H](O)COC(C)(C)C ZINC000036104401 539987211 /nfs/dbraw/zinc/98/72/11/539987211.db2.gz JFZBELKOZTZMPJ-HXUWFJFHSA-N 1 0 364.530 2.305 50 0 FEAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccccc2)nc2ncnn21 ZINC000036619290 539991914 /nfs/dbraw/zinc/99/19/14/539991914.db2.gz CMBDLVIIDRDTHT-OAHLLOKOSA-N 1 0 364.453 2.396 50 0 FEAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)NC2CC2)CC1 ZINC000043942513 540115937 /nfs/dbraw/zinc/11/59/37/540115937.db2.gz GSIYEAGCBUVTAW-UHFFFAOYSA-N 1 0 361.511 2.015 50 0 FEAARO Cc1ccc(-n2cnnn2)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000047927054 540335187 /nfs/dbraw/zinc/33/51/87/540335187.db2.gz WYXHDPYQWAQXKU-MRXNPFEDSA-N 1 0 371.470 2.457 50 0 FEAARO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994496 540620520 /nfs/dbraw/zinc/62/05/20/540620520.db2.gz ZBOLKUFPYZTSLS-AWEZNQCLSA-N 1 0 352.862 2.419 50 0 FEAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccccc1OCCCCn1ccnc1 ZINC000055153934 540631624 /nfs/dbraw/zinc/63/16/24/540631624.db2.gz ZQORTKRCPLDSIQ-KRWDZBQOSA-N 1 0 356.470 2.453 50 0 FEAARO CCC[NH+]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 ZINC000055171364 540632979 /nfs/dbraw/zinc/63/29/79/540632979.db2.gz CTVPYMKXVLPXAS-UHFFFAOYSA-N 1 0 353.413 2.029 50 0 FEAARO CC(=O)N1CCC(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000058179643 540832082 /nfs/dbraw/zinc/83/20/82/540832082.db2.gz DNTHIIBVDZVRLU-HXUWFJFHSA-N 1 0 355.482 2.265 50 0 FEAARO COc1ccc([C@H]([NH2+]CC(=O)N2CCNC2=O)c2ccc(C)cc2)cc1 ZINC000058224381 540834588 /nfs/dbraw/zinc/83/45/88/540834588.db2.gz VPOQYWVDLMUCDH-LJQANCHMSA-N 1 0 353.422 2.234 50 0 FEAARO O=C(NCc1ccc2c(c1)OCCCO2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000067100331 541417673 /nfs/dbraw/zinc/41/76/73/541417673.db2.gz OKWDECZKUJRSPR-UHFFFAOYSA-N 1 0 368.437 2.275 50 0 FEAARO Cc1csc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071755405 541771540 /nfs/dbraw/zinc/77/15/40/541771540.db2.gz WTHCYRAHRQKVNZ-OAHLLOKOSA-N 1 0 362.543 2.407 50 0 FEAARO Nc1cc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072140445 541786190 /nfs/dbraw/zinc/78/61/90/541786190.db2.gz RAEDGQHOSFRSII-ATZDWAIDSA-N 1 0 357.408 2.404 50 0 FEAARO CC1CCN(S(=O)(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000072145651 541788471 /nfs/dbraw/zinc/78/84/71/541788471.db2.gz RSZSUNWNOKTPMO-IBGZPJMESA-N 1 0 365.543 2.260 50 0 FEAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(N)=O)C3=O)s1 ZINC000072146895 541788208 /nfs/dbraw/zinc/78/82/08/541788208.db2.gz GJRVHDPIHUPTNE-LJQANCHMSA-N 1 0 355.463 2.032 50 0 FEAARO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4n(C)c3=O)C2)cc(=O)[nH]1 ZINC000072148662 541788909 /nfs/dbraw/zinc/78/89/09/541788909.db2.gz ZXZPGGFLOMQFFV-MRXNPFEDSA-N 1 0 364.449 2.310 50 0 FEAARO COc1c(F)ccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)c1F ZINC000072168790 541795131 /nfs/dbraw/zinc/79/51/31/541795131.db2.gz TVGMFABVLZZLCF-UHFFFAOYSA-N 1 0 354.397 2.035 50 0 FEAARO C[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(Cn3cccn3)c1)CC2 ZINC000072168247 541795135 /nfs/dbraw/zinc/79/51/35/541795135.db2.gz HRWOSTWVTGSRSC-IBGZPJMESA-N 1 0 368.481 2.302 50 0 FEAARO CC(C)Oc1ccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c(F)c1 ZINC000072270426 541796518 /nfs/dbraw/zinc/79/65/18/541796518.db2.gz ZNYPVYYZWRPVKU-CQSZACIVSA-N 1 0 352.454 2.370 50 0 FEAARO C[C@H]1CCC(=O)N1c1ccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cc1 ZINC000072407728 541805376 /nfs/dbraw/zinc/80/53/76/541805376.db2.gz FQWQJZXZGHYODC-AWEZNQCLSA-N 1 0 362.437 2.354 50 0 FEAARO O=C(CCCc1cn[nH]c1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000072410024 541806910 /nfs/dbraw/zinc/80/69/10/541806910.db2.gz JBQYTJWGDRSOOV-UHFFFAOYSA-N 1 0 352.482 2.434 50 0 FEAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(C(F)(F)F)n[nH]3)CC2)C[C@H](C)O1 ZINC000072418954 541808242 /nfs/dbraw/zinc/80/82/42/541808242.db2.gz QQFAFVGWXVPOSQ-PHIMTYICSA-N 1 0 360.380 2.142 50 0 FEAARO Clc1ccccc1C1(c2ccnc(Cn3cncn3)n2)CC[NH2+]CC1 ZINC000072429072 541812086 /nfs/dbraw/zinc/81/20/86/541812086.db2.gz NMQSHBDFENZRPR-UHFFFAOYSA-N 1 0 354.845 2.439 50 0 FEAARO Cc1ccc(-n2ccnc2-c2cc3n(n2)CC[NH2+]C3)cc1N1CCCC1=O ZINC000072425360 541811318 /nfs/dbraw/zinc/81/13/18/541811318.db2.gz FKYZONKHCLGFSM-UHFFFAOYSA-N 1 0 362.437 2.274 50 0 FEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072463443 541817808 /nfs/dbraw/zinc/81/78/08/541817808.db2.gz CJDAZIQOCBZVTJ-NRFANRHFSA-N 1 0 362.514 2.309 50 0 FEAARO COc1cccc(C[N@@H+]2CCc3ncnc(N[C@H]4CCOC4)c3CC2)c1 ZINC000072469288 541817940 /nfs/dbraw/zinc/81/79/40/541817940.db2.gz DQPOJHZAJHBWIZ-INIZCTEOSA-N 1 0 354.454 2.287 50 0 FEAARO CCN1C[C@]2(CCC[N@H+](CC(=O)NCc3ccccc3C)C2)CCC1=O ZINC000072453705 541815932 /nfs/dbraw/zinc/81/59/32/541815932.db2.gz ZHVUPVRJMXKMTE-OAQYLSRUSA-N 1 0 357.498 2.336 50 0 FEAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)C1 ZINC000072476648 541819620 /nfs/dbraw/zinc/81/96/20/541819620.db2.gz ZHSPIFIOIUHBEY-GOSISDBHSA-N 1 0 358.482 2.104 50 0 FEAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)N[C@H](C)CO)CC2)CC1 ZINC000012711286 220020080 /nfs/dbraw/zinc/02/00/80/220020080.db2.gz ROUKMVNZMJAYJK-GOSISDBHSA-N 1 0 373.541 2.168 50 0 FEAARO COc1ccc([C@@H](CNC(=O)CN2CCSC2=O)[NH+]2CCCC2)cc1 ZINC000014701049 220129995 /nfs/dbraw/zinc/12/99/95/220129995.db2.gz YADMHSQZLWJCKA-MRXNPFEDSA-N 1 0 363.483 2.117 50 0 FEAARO C[NH+](C)CCCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355182 211741471 /nfs/dbraw/zinc/74/14/71/211741471.db2.gz YEJGLOHJFSJCND-UHFFFAOYSA-N 1 0 350.419 2.216 50 0 FEAARO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000024978955 211420119 /nfs/dbraw/zinc/42/01/19/211420119.db2.gz DSIWEOXRBXPHSW-QWHCGFSZSA-N 1 0 369.421 2.235 50 0 FEAARO CC(C)Cc1cc(=O)[nH]c(-c2cccc(C[N@H+](C)C[C@H]3COCCO3)c2)n1 ZINC000023619448 211391556 /nfs/dbraw/zinc/39/15/56/211391556.db2.gz IIQGHDJIMKXRTD-IBGZPJMESA-N 1 0 371.481 2.483 50 0 FEAARO CC[NH+](CC)CCc1nnc(NC(=O)N[C@@H]2CCC[C@@H]2COC)s1 ZINC000023541878 211391186 /nfs/dbraw/zinc/39/11/86/211391186.db2.gz XHWFNNBAOPHHPI-CHWSQXEVSA-N 1 0 355.508 2.359 50 0 FEAARO C[C@@H](O)c1cn(C2CC[NH+](Cc3cccn3-c3cccnc3)CC2)nn1 ZINC000023368913 211385825 /nfs/dbraw/zinc/38/58/25/211385825.db2.gz QKDXXPSVNSMUIW-OAHLLOKOSA-N 1 0 352.442 2.354 50 0 FEAARO O[C@H](COCc1ccc(Cl)cc1)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022038579 211334370 /nfs/dbraw/zinc/33/43/70/211334370.db2.gz SVHIHORYHJCBMG-OALUTQOASA-N 1 0 368.905 2.014 50 0 FEAARO C[NH+]1CCN([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020441743 211279140 /nfs/dbraw/zinc/27/91/40/211279140.db2.gz ODZGWRYCXWERTP-DLBZAZTESA-N 1 0 371.934 2.177 50 0 FEAARO C[NH+]1CCN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000019868091 211259735 /nfs/dbraw/zinc/25/97/35/211259735.db2.gz AYPAXEYLSMXMBE-UHFFFAOYSA-N 1 0 373.522 2.240 50 0 FEAARO CC(C)(C)CN1CCC[C@@](O)(CN2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000019536056 211231542 /nfs/dbraw/zinc/23/15/42/211231542.db2.gz GYJUCMIRGQOLFG-OAQYLSRUSA-N 1 0 365.562 2.336 50 0 FEAARO CSc1ncc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cn1 ZINC000019226438 211207488 /nfs/dbraw/zinc/20/74/88/211207488.db2.gz OKJFSCCXTZTODW-KRWDZBQOSA-N 1 0 350.532 2.400 50 0 FEAARO CN1CCN(c2nnc(-n3cccc3C[NH+]3CCCCCC3)s2)CC1 ZINC000015861004 211146980 /nfs/dbraw/zinc/14/69/80/211146980.db2.gz WIIGAQWOSCHWAM-UHFFFAOYSA-N 1 0 360.531 2.457 50 0 FEAARO O=C(NC(C1CC1)C1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000015074241 211119726 /nfs/dbraw/zinc/11/97/26/211119726.db2.gz VWDALBKXOQMTMJ-SFHVURJKSA-N 1 0 373.541 2.404 50 0 FEAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@@H](C)CO)CC2)C1=O ZINC000014747362 211101209 /nfs/dbraw/zinc/10/12/09/211101209.db2.gz JRTRVFKOCOMHGT-KRWDZBQOSA-N 1 0 373.497 2.117 50 0 FEAARO CCOc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1OCC ZINC000014102486 211073956 /nfs/dbraw/zinc/07/39/56/211073956.db2.gz OOHFBHMCEYSWAB-UHFFFAOYSA-N 1 0 368.499 2.389 50 0 FEAARO O=C(c1ccc2sccc2c1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407323 542379216 /nfs/dbraw/zinc/37/92/16/542379216.db2.gz DFTSMLMLBDATJY-IBGZPJMESA-N 1 0 360.479 2.201 50 0 FEAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077406807 542379534 /nfs/dbraw/zinc/37/95/34/542379534.db2.gz MWLUYCOJEGREMT-FQEVSTJZSA-N 1 0 358.461 2.434 50 0 FEAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000077438390 542381572 /nfs/dbraw/zinc/38/15/72/542381572.db2.gz CRWYZUOIQJONLR-QGZVFWFLSA-N 1 0 354.397 2.431 50 0 FEAARO CCc1ccc2nc(C)cc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2c1 ZINC000077522391 542392423 /nfs/dbraw/zinc/39/24/23/542392423.db2.gz PFEWKTGEPPJTNE-MRXNPFEDSA-N 1 0 368.481 2.033 50 0 FEAARO CSc1cccc(CNC(=O)c2cn(CC[C@H]3CCCC[NH2+]3)nn2)c1 ZINC000077486090 542387533 /nfs/dbraw/zinc/38/75/33/542387533.db2.gz MYRVPKCLPYASTJ-OAHLLOKOSA-N 1 0 359.499 2.462 50 0 FEAARO CC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 ZINC000020755673 220340803 /nfs/dbraw/zinc/34/08/03/220340803.db2.gz UYSXNCFZCCQNEU-VGUOSERISA-N 1 0 358.482 2.385 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C(=O)O1)Cc1ccccc1 ZINC000022682197 220394303 /nfs/dbraw/zinc/39/43/03/220394303.db2.gz SJYQRMIGEHMXFD-IEBWSBKVSA-N 1 0 352.434 2.057 50 0 FEAARO COCCn1c(C)cc(O)c([C@@H](c2ccncc2)[NH+]2CCCCC2)c1=O ZINC000022697887 220396001 /nfs/dbraw/zinc/39/60/01/220396001.db2.gz MRBWCIQSPUKVEO-LJQANCHMSA-N 1 0 357.454 2.479 50 0 FEAARO CCCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CCCCC4)n3n2)CC1 ZINC000065311573 221198064 /nfs/dbraw/zinc/19/80/64/221198064.db2.gz ARODEZSOMSWLDY-UHFFFAOYSA-N 1 0 371.533 2.341 50 0 FEAARO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000065321294 221200524 /nfs/dbraw/zinc/20/05/24/221200524.db2.gz DQNMEEMVOISDJC-UHFFFAOYSA-N 1 0 360.458 2.219 50 0 FEAARO Cc1cncc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000065383576 221207298 /nfs/dbraw/zinc/20/72/98/221207298.db2.gz YUNUZLJIIVJMFG-QGZVFWFLSA-N 1 0 352.438 2.340 50 0 FEAARO Cn1cc(NC(=O)c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)nn1 ZINC000065406594 221214824 /nfs/dbraw/zinc/21/48/24/221214824.db2.gz MMIDPUGCQQVLDG-SFHVURJKSA-N 1 0 368.485 2.128 50 0 FEAARO CN(CCc1noc(C2CC2)n1)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065460833 221222055 /nfs/dbraw/zinc/22/20/55/221222055.db2.gz RPHMMTAGNKBVPX-UHFFFAOYSA-N 1 0 356.455 2.276 50 0 FEAARO c1c(C[NH2+]C[C@H]2COCCO2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000065563094 221233470 /nfs/dbraw/zinc/23/34/70/221233470.db2.gz XTMAQZPFPKXCLC-IBGZPJMESA-N 1 0 350.422 2.439 50 0 FEAARO CSc1ncc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000067515076 221258233 /nfs/dbraw/zinc/25/82/33/221258233.db2.gz FNMWAISFMAFWPQ-UHFFFAOYSA-N 1 0 350.488 2.242 50 0 FEAARO Cc1noc(C)c1C[NH2+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067515242 221258307 /nfs/dbraw/zinc/25/83/07/221258307.db2.gz OOCSMPHWVNGPCR-NRFANRHFSA-N 1 0 371.481 2.367 50 0 FEAARO COc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)c(Cl)c1Cl ZINC000067601848 221260448 /nfs/dbraw/zinc/26/04/48/221260448.db2.gz RHGHOAWBVUXOPW-UHFFFAOYSA-N 1 0 353.271 2.375 50 0 FEAARO O=C1N[C@](c2cccnc2)(C2CC[NH2+]CC2)C(=O)N1CCc1ccccc1 ZINC000067605799 221262701 /nfs/dbraw/zinc/26/27/01/221262701.db2.gz DWHIBFOUWUFJOJ-NRFANRHFSA-N 1 0 364.449 2.071 50 0 FEAARO O=S(=O)(c1ccc(-c2ccon2)s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000067725994 221277735 /nfs/dbraw/zinc/27/77/35/221277735.db2.gz LFXOEYFHOFULLO-UHFFFAOYSA-N 1 0 353.469 2.167 50 0 FEAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000067742017 221278590 /nfs/dbraw/zinc/27/85/90/221278590.db2.gz CNQMKHRCVSXUAH-HOTGVXAUSA-N 1 0 363.889 2.215 50 0 FEAARO Cc1ncc(C[NH+]2CCC(Cc3n[nH]c(=O)n3-c3ccccc3)CC2)cn1 ZINC000067741592 221278908 /nfs/dbraw/zinc/27/89/08/221278908.db2.gz OBQVKXRUBORZLU-UHFFFAOYSA-N 1 0 364.453 2.114 50 0 FEAARO NC(=O)[C@H]1CCC[N@H+](CCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)C1 ZINC000067676332 221269573 /nfs/dbraw/zinc/26/95/73/221269573.db2.gz LBCRSGMLMGGRIK-INIZCTEOSA-N 1 0 364.453 2.138 50 0 FEAARO COc1nc(C)cc(C)c1C[NH2+]C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000067689142 221272745 /nfs/dbraw/zinc/27/27/45/221272745.db2.gz FXHRLWSIURDBEL-HXUWFJFHSA-N 1 0 363.502 2.196 50 0 FEAARO Cc1nc2ccccc2n1Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)no1 ZINC000067712825 221273250 /nfs/dbraw/zinc/27/32/50/221273250.db2.gz UYPIOSORSIOKSD-OLZOCXBDSA-N 1 0 353.426 2.203 50 0 FEAARO [NH3+]C1(C(=O)N2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067804867 221287978 /nfs/dbraw/zinc/28/79/78/221287978.db2.gz DOYIKXIVBLGNQA-UHFFFAOYSA-N 1 0 359.813 2.320 50 0 FEAARO CCc1nnc(NC(=O)c2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000067852425 221295588 /nfs/dbraw/zinc/29/55/88/221295588.db2.gz XQGJRTLJOVEVGC-CQSZACIVSA-N 1 0 373.482 2.050 50 0 FEAARO O=C(c1ccc(NCCCO)nc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000067908365 221303725 /nfs/dbraw/zinc/30/37/25/221303725.db2.gz VWDSSIAATJUJML-UHFFFAOYSA-N 1 0 360.502 2.357 50 0 FEAARO O=C(NC[C@H]1CCC[NH2+]1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000067909304 221304424 /nfs/dbraw/zinc/30/44/24/221304424.db2.gz NZTBSLBUAHWWBB-GFCCVEGCSA-N 1 0 368.359 2.489 50 0 FEAARO Cc1cc(C[NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)ccn1 ZINC000067966537 221310231 /nfs/dbraw/zinc/31/02/31/221310231.db2.gz ZQJRJJKVUDPKOG-QFIPXVFZSA-N 1 0 367.493 2.466 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@H](CO)c3ccccc3)cnn2c1 ZINC000067973736 221310517 /nfs/dbraw/zinc/31/05/17/221310517.db2.gz WOGLOSZGXPCFDF-GOSISDBHSA-N 1 0 367.453 2.035 50 0 FEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3[nH]nc4ccccc43)cn2)CC1 ZINC000070037574 221331281 /nfs/dbraw/zinc/33/12/81/221331281.db2.gz YMMKPYKNBFNCAX-UHFFFAOYSA-N 1 0 364.453 2.030 50 0 FEAARO C[NH2+]CCCNC(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071498532 221350513 /nfs/dbraw/zinc/35/05/13/221350513.db2.gz JNMHWJSACUNCEY-QFIPXVFZSA-N 1 0 365.477 2.259 50 0 FEAARO CCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746683 221358000 /nfs/dbraw/zinc/35/80/00/221358000.db2.gz MGGKEKKZBADZFC-SFHVURJKSA-N 1 0 372.513 2.201 50 0 FEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3C)CC2)C1 ZINC000071750434 221362090 /nfs/dbraw/zinc/36/20/90/221362090.db2.gz CRUQVLVJLKITCX-FQEVSTJZSA-N 1 0 373.541 2.434 50 0 FEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cncn3C3CC3)CC2)C1 ZINC000071754661 221364778 /nfs/dbraw/zinc/36/47/78/221364778.db2.gz ICVJDYQGFVPXIL-MRXNPFEDSA-N 1 0 371.529 2.173 50 0 FEAARO CN(C)c1nc2c(c(NCCc3cnn(-c4ccccc4)c3)n1)CC[NH2+]C2 ZINC000071760122 221366184 /nfs/dbraw/zinc/36/61/84/221366184.db2.gz GBJWOAZZYLTPJJ-UHFFFAOYSA-N 1 0 363.469 2.029 50 0 FEAARO CC(=O)N1CCc2c(nc(-c3cccnc3)nc2NC[C@H](C)C[NH+](C)C)C1 ZINC000071721272 221355903 /nfs/dbraw/zinc/35/59/03/221355903.db2.gz SRBDGEZJLFOSEZ-AWEZNQCLSA-N 1 0 368.485 2.053 50 0 FEAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccccc1OC(F)(F)C(F)F ZINC000082106668 542684191 /nfs/dbraw/zinc/68/41/91/542684191.db2.gz XQVLNDDDHGVNBX-UHFFFAOYSA-N 1 0 372.322 2.153 50 0 FEAARO Cn1ccnc1[C@@H]1CCCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082106935 542684432 /nfs/dbraw/zinc/68/44/32/542684432.db2.gz QHKHRJFAEUOESF-QGZVFWFLSA-N 1 0 360.502 2.017 50 0 FEAARO c1nc(N2CCOCC2)ncc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077436796 132184691 /nfs/dbraw/zinc/18/46/91/132184691.db2.gz DGLOMGFTOOAHHS-IBGZPJMESA-N 1 0 359.518 2.154 50 0 FEAARO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CC(C)C)C(=O)OC)cc2)CC1 ZINC000078714538 132191274 /nfs/dbraw/zinc/19/12/74/132191274.db2.gz OSZNWRNYFUUKQB-GOSISDBHSA-N 1 0 361.486 2.146 50 0 FEAARO FC(F)c1nnc2ccc(N3CC[NH+](CCc4ccccc4)CC3)nn21 ZINC000079109317 132193026 /nfs/dbraw/zinc/19/30/26/132193026.db2.gz VSDAHMNKQYNHFS-UHFFFAOYSA-N 1 0 358.396 2.427 50 0 FEAARO C[C@@H](C(=O)N1CCCCCC1)N1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082133891 132196687 /nfs/dbraw/zinc/19/66/87/132196687.db2.gz LCVJPMPJQNPCCQ-INIZCTEOSA-N 1 0 370.497 2.358 50 0 FEAARO C[NH2+]CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C[C@H]1Cc1ccccc1 ZINC000091350867 132201328 /nfs/dbraw/zinc/20/13/28/132201328.db2.gz CLAXUZIFWFCAEE-GOSISDBHSA-N 1 0 371.868 2.346 50 0 FEAARO CCN1CC[C@@]2(CN(c3cnc4ccccc4n3)CC[N@@H+]2C)CCC1=O ZINC000091550399 132202113 /nfs/dbraw/zinc/20/21/13/132202113.db2.gz JMWDCRNKLXOOAH-HXUWFJFHSA-N 1 0 353.470 2.153 50 0 FEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3[nH]nc4c3CCC4)CC2)c1 ZINC000095358215 132207584 /nfs/dbraw/zinc/20/75/84/132207584.db2.gz BDFCCCRVCPVDLI-UHFFFAOYSA-N 1 0 367.497 2.035 50 0 FEAARO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCCn1ccnc1 ZINC000095427839 132211110 /nfs/dbraw/zinc/21/11/10/132211110.db2.gz SDYWERSFNQLEIP-QGZVFWFLSA-N 1 0 371.485 2.069 50 0 FEAARO CCCc1cncnc1N1CCC([NH+]2CCN(c3cnccn3)CC2)CC1 ZINC000095511743 132213169 /nfs/dbraw/zinc/21/31/69/132213169.db2.gz SMWXTCAHJZMELK-UHFFFAOYSA-N 1 0 367.501 2.010 50 0 FEAARO CSc1nccc(N2CCC([NH2+]CCSc3nccn3C)CC2)n1 ZINC000095522115 132214189 /nfs/dbraw/zinc/21/41/89/132214189.db2.gz VSYIQDNRLCXZBI-UHFFFAOYSA-N 1 0 364.544 2.283 50 0 FEAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 ZINC000095527422 132215016 /nfs/dbraw/zinc/21/50/16/132215016.db2.gz IYSJQTHVDNURHC-UHFFFAOYSA-N 1 0 354.454 2.175 50 0 FEAARO Cc1ccc([C@@H](C[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)N(C)C)o1 ZINC000096160892 132221127 /nfs/dbraw/zinc/22/11/27/132221127.db2.gz WPYLTPIRCMNKMA-OAHLLOKOSA-N 1 0 369.473 2.116 50 0 FEAARO COc1ccc(C[NH+]2CCN(c3ncc[nH]c3=O)CC2)c2ccccc12 ZINC000097244161 132228519 /nfs/dbraw/zinc/22/85/19/132228519.db2.gz CNJSKXMJXKQRIL-UHFFFAOYSA-N 1 0 350.422 2.254 50 0 FEAARO COc1ccc(C[N@@H+]2CCN(c3ncc(F)cn3)C[C@H]2CCO)c(C)c1C ZINC000107009492 132266515 /nfs/dbraw/zinc/26/65/15/132266515.db2.gz UYHDTFIAYCXDTR-GOSISDBHSA-N 1 0 374.460 2.314 50 0 FEAARO O=c1cc(N2CC[NH+](C3CCSCC3)CC2)c(-c2ccccc2)n[nH]1 ZINC000244874991 132291890 /nfs/dbraw/zinc/29/18/90/132291890.db2.gz XKRHQSLLSZDJNZ-UHFFFAOYSA-N 1 0 356.495 2.455 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(OC)cc1O)CC2 ZINC000091445283 542808012 /nfs/dbraw/zinc/80/80/12/542808012.db2.gz NPTUSUYMANOTBS-UHFFFAOYSA-N 1 0 370.453 2.133 50 0 FEAARO CC[NH+]1CCC(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000091461698 542808892 /nfs/dbraw/zinc/80/88/92/542808892.db2.gz ZSLYCVRJPVVSMN-UHFFFAOYSA-N 1 0 356.470 2.144 50 0 FEAARO [NH3+][C@H](C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O)c1ccccc1 ZINC000091256039 542803031 /nfs/dbraw/zinc/80/30/31/542803031.db2.gz UBGQEBMITPLRPX-KRWDZBQOSA-N 1 0 350.422 2.112 50 0 FEAARO C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2ccccc2F)CC3)C1 ZINC000091585537 542813696 /nfs/dbraw/zinc/81/36/96/542813696.db2.gz KVMJADNBDWCPCL-INIZCTEOSA-N 1 0 373.472 2.375 50 0 FEAARO COCc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n1 ZINC000091626023 542816746 /nfs/dbraw/zinc/81/67/46/542816746.db2.gz UDLXTURQXXJWLP-MAUKXSAKSA-N 1 0 368.481 2.280 50 0 FEAARO CC[N@H+](C)[C@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091626051 542816811 /nfs/dbraw/zinc/81/68/11/542816811.db2.gz PDTFXGBRMSQOQY-QGZVFWFLSA-N 1 0 372.513 2.153 50 0 FEAARO O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](C1CCOCC1)CC2 ZINC000091725963 542822214 /nfs/dbraw/zinc/82/22/14/542822214.db2.gz SWIJJZSBFDHZJF-UHFFFAOYSA-N 1 0 358.486 2.065 50 0 FEAARO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000091656117 542818069 /nfs/dbraw/zinc/81/80/69/542818069.db2.gz ZWJJYGBUCREYNH-UKRRQHHQSA-N 1 0 358.891 2.075 50 0 FEAARO COc1cccc(OC)c1C(=O)N1CCC2(CC1)c1[nH]cnc1CC[N@H+]2C ZINC000091809160 542827045 /nfs/dbraw/zinc/82/70/45/542827045.db2.gz JGIAXCMBMMFYFL-UHFFFAOYSA-N 1 0 370.453 2.046 50 0 FEAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](C[C@H]1COCCO1)CC2 ZINC000091872966 542830342 /nfs/dbraw/zinc/83/03/42/542830342.db2.gz MDADZYVRAJBNAH-FQEVSTJZSA-N 1 0 372.509 2.349 50 0 FEAARO O=C(CCc1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2)NC1CCCC1 ZINC000092065295 542842288 /nfs/dbraw/zinc/84/22/88/542842288.db2.gz YWANEBXJGIKNCY-UHFFFAOYSA-N 1 0 360.502 2.259 50 0 FEAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091934140 542833260 /nfs/dbraw/zinc/83/32/60/542833260.db2.gz RUCPXDIWRXHFEL-KRWDZBQOSA-N 1 0 356.470 2.286 50 0 FEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091965754 542834997 /nfs/dbraw/zinc/83/49/97/542834997.db2.gz KIMVJZQWSMCFPL-QGZVFWFLSA-N 1 0 356.470 2.286 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3cccc(OC)c3n1)C2 ZINC000092077803 542843753 /nfs/dbraw/zinc/84/37/53/542843753.db2.gz HBYMKVOJFLLRFN-FUHWJXTLSA-N 1 0 369.465 2.313 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000092076890 542844011 /nfs/dbraw/zinc/84/40/11/542844011.db2.gz QTHOQBNUWVUIBX-UHFFFAOYSA-N 1 0 362.499 2.013 50 0 FEAARO COC[C@H]1CCC[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1 ZINC000093337590 542926708 /nfs/dbraw/zinc/92/67/08/542926708.db2.gz WSWKOPTYOAWJRG-LBPRGKRZSA-N 1 0 356.850 2.071 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCN(c2ncccn2)CC1 ZINC000048288324 136123226 /nfs/dbraw/zinc/12/32/26/136123226.db2.gz HFDRNEDFKZYGPF-QGZVFWFLSA-N 1 0 371.510 2.414 50 0 FEAARO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCN(c3ncccn3)C2)[NH+](C)C)cc1 ZINC000058193680 136130882 /nfs/dbraw/zinc/13/08/82/136130882.db2.gz FRJKXSKPWMLRDG-MOPGFXCFSA-N 1 0 367.497 2.421 50 0 FEAARO O=C(CCCn1cncn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095372615 542962638 /nfs/dbraw/zinc/96/26/38/542962638.db2.gz PBURESGKIZQGFA-RTBURBONSA-N 1 0 353.470 2.181 50 0 FEAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCC(CCN3CCCC3=O)CC2)n1 ZINC000067640933 136137258 /nfs/dbraw/zinc/13/72/58/136137258.db2.gz CEWNVHGPKOHXGO-GOSISDBHSA-N 1 0 371.529 2.481 50 0 FEAARO Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H](C(=O)N3Cc4ccccc4C3)C2)cn1 ZINC000095372882 542962896 /nfs/dbraw/zinc/96/28/96/542962896.db2.gz JNSITGBVTNFFQW-ZWKOTPCHSA-N 1 0 364.449 2.097 50 0 FEAARO CN(C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2C[NH+](C)C)C1 ZINC000095372207 542962940 /nfs/dbraw/zinc/96/29/40/542962940.db2.gz JOKSXWILCXJJJQ-GOSISDBHSA-N 1 0 360.502 2.100 50 0 FEAARO CN1C[C@]2(CCC[N@H+](CCC(=O)N3CCCc4ccccc43)C2)OC1=O ZINC000072148456 136142687 /nfs/dbraw/zinc/14/26/87/136142687.db2.gz CCWJTUCVXAIKCX-FQEVSTJZSA-N 1 0 357.454 2.273 50 0 FEAARO C[NH+](C)C[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn32)C[C@H]1O ZINC000072162369 136143290 /nfs/dbraw/zinc/14/32/90/136143290.db2.gz LXWPYWYQBIQYQY-FUHWJXTLSA-N 1 0 351.454 2.145 50 0 FEAARO Cc1nc2c(c(N3CCC[C@H](OCc4ccccn4)C3)n1)CC[NH2+]CC2 ZINC000072432024 136147056 /nfs/dbraw/zinc/14/70/56/136147056.db2.gz AYESHKSXEDBRGQ-KRWDZBQOSA-N 1 0 353.470 2.054 50 0 FEAARO CN(Cc1nccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095351217 542957624 /nfs/dbraw/zinc/95/76/24/542957624.db2.gz UNXAYSLWNXFQQD-CHWSQXEVSA-N 1 0 359.396 2.214 50 0 FEAARO COc1ccc(CC(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cc1 ZINC000095354025 542958543 /nfs/dbraw/zinc/95/85/43/542958543.db2.gz VXYONBYIKRACTO-GOSISDBHSA-N 1 0 370.497 2.402 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCCC2)C1)N1CCN(CCn2cccc2)CC1 ZINC000095362900 542959883 /nfs/dbraw/zinc/95/98/83/542959883.db2.gz KWSYBFOZMCVONM-LJQANCHMSA-N 1 0 358.530 2.287 50 0 FEAARO CCCOCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364700 542960944 /nfs/dbraw/zinc/96/09/44/542960944.db2.gz CUKUBPGLLHAIMF-ZLGUVYLKSA-N 1 0 372.465 2.231 50 0 FEAARO Cc1cc(C)n(C)c(=O)c1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095380889 542965131 /nfs/dbraw/zinc/96/51/31/542965131.db2.gz CSTZVOIHKMXQQM-QZTJIDSGSA-N 1 0 357.498 2.339 50 0 FEAARO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095389542 542968538 /nfs/dbraw/zinc/96/85/38/542968538.db2.gz JRVYROGAVAUSFD-KRWDZBQOSA-N 1 0 372.517 2.123 50 0 FEAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)n1C ZINC000095391583 542968585 /nfs/dbraw/zinc/96/85/85/542968585.db2.gz VAGKGBRAPUCQCZ-QGZVFWFLSA-N 1 0 365.485 2.451 50 0 FEAARO O=C(NCCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095389147 542967392 /nfs/dbraw/zinc/96/73/92/542967392.db2.gz GMTPMGHYVQZFIU-OAHLLOKOSA-N 1 0 368.481 2.236 50 0 FEAARO COC(=O)C1CC[NH+](CCCSc2nnnn2-c2ccccc2)CC1 ZINC000095468084 542972409 /nfs/dbraw/zinc/97/24/09/542972409.db2.gz JSBYKPDEWZWHNR-UHFFFAOYSA-N 1 0 361.471 2.030 50 0 FEAARO Cn1ccc2ccc(C(=O)N3CCN(C[C@@H]4CCC[N@H+](C)C4)CC3)cc21 ZINC000095498438 542974506 /nfs/dbraw/zinc/97/45/06/542974506.db2.gz HBRITJMMOFWKMA-QGZVFWFLSA-N 1 0 354.498 2.278 50 0 FEAARO C[C@H](Cn1cncn1)[NH2+]C1CCN(c2nnc(-c3ccccc3)s2)CC1 ZINC000095506321 542976180 /nfs/dbraw/zinc/97/61/80/542976180.db2.gz NLTRYSIKCXZDRX-CQSZACIVSA-N 1 0 369.498 2.444 50 0 FEAARO Cc1nc2c(c(NC[C@@H]3CCC[N@H+](CCO)C3)n1)Cc1ccccc1OC2 ZINC000095515396 542978087 /nfs/dbraw/zinc/97/80/87/542978087.db2.gz OXJDAPUEBIDTLW-INIZCTEOSA-N 1 0 368.481 2.384 50 0 FEAARO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1cc(C)on1 ZINC000095946729 542983586 /nfs/dbraw/zinc/98/35/86/542983586.db2.gz PIFCHBGCGDBZKH-SFHVURJKSA-N 1 0 372.469 2.322 50 0 FEAARO CS[C@H]1CN(C(=O)Nc2nnc(C(F)(F)F)s2)C[C@@H]1[NH+](C)C ZINC000095996475 542985509 /nfs/dbraw/zinc/98/55/09/542985509.db2.gz YWGMZYKFXMOBOL-BQBZGAKWSA-N 1 0 355.411 2.066 50 0 FEAARO Cc1nnsc1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095523409 542979792 /nfs/dbraw/zinc/97/97/92/542979792.db2.gz KSXXFCLRLALAPO-CQSZACIVSA-N 1 0 362.503 2.015 50 0 FEAARO CCn1c(C)cc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1=O ZINC000092107490 221838513 /nfs/dbraw/zinc/83/85/13/221838513.db2.gz DQSCGQPRVMDADV-QZTJIDSGSA-N 1 0 357.498 2.431 50 0 FEAARO Cc1cccc(C[NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)n1 ZINC000096132432 222038844 /nfs/dbraw/zinc/03/88/44/222038844.db2.gz AMDNYCNIVNWKFN-UHFFFAOYSA-N 1 0 354.502 2.494 50 0 FEAARO COc1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCC[N@H+](C)C2)C3)c1 ZINC000096152887 222054751 /nfs/dbraw/zinc/05/47/51/222054751.db2.gz CWJRBHMGMLHLIQ-HNNXBMFYSA-N 1 0 354.454 2.312 50 0 FEAARO NC(=O)Cc1nc(-c2ccc(C[NH+]3CCCC3)o2)n(-c2ccc(F)cc2)n1 ZINC000096166083 222066301 /nfs/dbraw/zinc/06/63/01/222066301.db2.gz YQNKODKDCCMWBE-UHFFFAOYSA-N 1 0 369.400 2.290 50 0 FEAARO O=S(=O)(N1CCCC1)N1CCC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000097360129 222178274 /nfs/dbraw/zinc/17/82/74/222178274.db2.gz ANDXKFJUSZTEDX-UHFFFAOYSA-N 1 0 363.483 2.281 50 0 FEAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)CCc3csc(N)n3)O2)CC1 ZINC000097436904 222180924 /nfs/dbraw/zinc/18/09/24/222180924.db2.gz NHVVQWQTSGJJBH-HNNXBMFYSA-N 1 0 366.531 2.196 50 0 FEAARO O=C(NCCc1nc2ccccc2[nH]1)C1CC[NH+](C2CCOCC2)CC1 ZINC000097766515 222211229 /nfs/dbraw/zinc/21/12/29/222211229.db2.gz MIDFYGBNYLUFLB-UHFFFAOYSA-N 1 0 356.470 2.113 50 0 FEAARO Cc1cccc(Cn2nc(-c3ccc(C(N)=O)cc3)nc2[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000102852513 222310078 /nfs/dbraw/zinc/31/00/78/222310078.db2.gz LPQQYKOMHDZSCE-BWTSREIZSA-N 1 0 373.460 2.334 50 0 FEAARO C[N@@H+]1CCN(Cc2coc(-c3ccccc3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107408266 222393662 /nfs/dbraw/zinc/39/36/62/222393662.db2.gz ITIFCDSTWOFATK-HXUWFJFHSA-N 1 0 354.454 2.128 50 0 FEAARO COc1ccc(C(=O)NCCc2nc(C)c(Cl)s2)c(OCC[NH3+])c1 ZINC000426388405 263574348 /nfs/dbraw/zinc/57/43/48/263574348.db2.gz LUSLQYUUEUVZTN-UHFFFAOYSA-N 1 0 369.874 2.424 50 0 FEAARO C[C@H](NC(=O)CSc1nnc(C2CC[NH2+]CC2)n1C)c1ccccc1 ZINC000426442816 263593008 /nfs/dbraw/zinc/59/30/08/263593008.db2.gz BQGOBDFUGBSVCP-ZDUSSCGKSA-N 1 0 359.499 2.252 50 0 FEAARO COc1ccc(C(=O)N2CC(Oc3ccc(F)cc3)C2)c(OCC[NH3+])c1 ZINC000426470806 263597212 /nfs/dbraw/zinc/59/72/12/263597212.db2.gz LKMWBAJCYPBOKH-UHFFFAOYSA-N 1 0 360.385 2.075 50 0 FEAARO O=C(NC[C@@H](O)C[NH+]1CCCC1)c1cccc(-c2ccc(CCO)cc2)c1 ZINC000426641616 263649606 /nfs/dbraw/zinc/64/96/06/263649606.db2.gz XARLBFIDXUXNCP-OAQYLSRUSA-N 1 0 368.477 2.075 50 0 FEAARO CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000187452912 328026500 /nfs/dbraw/zinc/02/65/00/328026500.db2.gz SLEUGZYUAGQCND-MOPGFXCFSA-N 1 0 359.514 2.496 50 0 FEAARO Cc1cc(NC(=O)CCc2nnc[nH]2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190802962 328233381 /nfs/dbraw/zinc/23/33/81/328233381.db2.gz LFSLNEUSSINNFJ-UHFFFAOYSA-N 1 0 356.474 2.215 50 0 FEAARO O=C(C1CC[NH+](C2CC2)CC1)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000192825480 328342051 /nfs/dbraw/zinc/34/20/51/328342051.db2.gz ASEAWEOIBICURL-QGZVFWFLSA-N 1 0 361.873 2.214 50 0 FEAARO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@]2(CCO)CCOC2)CC1 ZINC000125452018 326471948 /nfs/dbraw/zinc/47/19/48/326471948.db2.gz KLTBGSMKWCMIKJ-LJQANCHMSA-N 1 0 366.889 2.323 50 0 FEAARO CCCOc1c(C[NH2+]CCOCCO)cc(Br)cc1OC ZINC000020934395 520291938 /nfs/dbraw/zinc/29/19/38/520291938.db2.gz IXCXDIHBZKUDDZ-UHFFFAOYSA-N 1 0 362.264 2.345 50 0 FEAARO CCOc1ccccc1CN(C)C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000152314984 521475228 /nfs/dbraw/zinc/47/52/28/521475228.db2.gz XUQOQIYCTIJCBF-UHFFFAOYSA-N 1 0 357.458 2.182 50 0 FEAARO CCCn1ccnc1CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091365242 521662876 /nfs/dbraw/zinc/66/28/76/521662876.db2.gz STSCYWXWVVIESN-NRFANRHFSA-N 1 0 373.545 2.202 50 0 FEAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)SCC[NH+](C)C ZINC000083827751 521863048 /nfs/dbraw/zinc/86/30/48/521863048.db2.gz DDHBRATUCFZOPA-AWEZNQCLSA-N 1 0 351.516 2.329 50 0 FEAARO COCCc1ncc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000020537933 522035777 /nfs/dbraw/zinc/03/57/77/522035777.db2.gz JTVBJNRAWWPEDB-HXUWFJFHSA-N 1 0 366.509 2.387 50 0 FEAARO C[NH2+]C[C@@H]1CCN(C(=O)CCc2ccc(OC)c(Br)c2)C1 ZINC000178980547 522053871 /nfs/dbraw/zinc/05/38/71/522053871.db2.gz XFRAGBAVZLREIZ-ZDUSSCGKSA-N 1 0 355.276 2.458 50 0 FEAARO CCc1oc(C(=O)N2CC[C@@]3(C2)CCCNC3=O)cc1C[NH+]1CCCC1 ZINC000091695458 522980295 /nfs/dbraw/zinc/98/02/95/522980295.db2.gz WHQMEIFGZFAEBG-HXUWFJFHSA-N 1 0 359.470 2.180 50 0 FEAARO COc1ccc(-c2ccc(C(=O)NCc3cc4n(n3)CC[NH2+]C4)o2)cc1 ZINC000082092326 523131360 /nfs/dbraw/zinc/13/13/60/523131360.db2.gz RRWWTSYCDUNVQU-UHFFFAOYSA-N 1 0 352.394 2.185 50 0 FEAARO CCn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000091487178 523209151 /nfs/dbraw/zinc/20/91/51/523209151.db2.gz DPUXTIYJICKBQX-UHFFFAOYSA-N 1 0 366.473 2.021 50 0 FEAARO Cc1cc(C)c2[nH]c(C[NH2+]CCNC(=O)c3cccnc3)cc(=O)c2c1 ZINC000091636920 524339741 /nfs/dbraw/zinc/33/97/41/524339741.db2.gz LKSMOWLLLAOTED-UHFFFAOYSA-N 1 0 350.422 2.060 50 0 FEAARO Cc1cccc(OC[C@@H]2CCCN(C(=O)CN(C)C3CC[NH2+]CC3)C2)c1 ZINC000082146302 524759171 /nfs/dbraw/zinc/75/91/71/524759171.db2.gz AZENEJXMQAECKA-GOSISDBHSA-N 1 0 359.514 2.296 50 0 FEAARO Cc1cc(N2CCCN(C(=O)CCN3CCCCCC3=O)CC2)cc[nH+]1 ZINC000082126764 525063983 /nfs/dbraw/zinc/06/39/83/525063983.db2.gz UZPIQQVNCUUNRV-UHFFFAOYSA-N 1 0 358.486 2.221 50 0 FEAARO Cc1c(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)oc2c1C(=O)CCC2 ZINC000089568159 525555049 /nfs/dbraw/zinc/55/50/49/525555049.db2.gz HIYDGNLRUXFCJN-ZDUSSCGKSA-N 1 0 362.470 2.272 50 0 FEAARO O=C(NCCN1CCOCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102749 526317622 /nfs/dbraw/zinc/31/76/22/526317622.db2.gz NTSVWDBQEPEIJY-UHFFFAOYSA-N 1 0 365.905 2.000 50 0 FEAARO Cc1nc(CN2CC[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)no1 ZINC000216365803 526865920 /nfs/dbraw/zinc/86/59/20/526865920.db2.gz ODTUIGPWALOZGG-CQSZACIVSA-N 1 0 358.442 2.103 50 0 FEAARO Cc1nc(N(C)C)cc(NCCNC(=O)Cc2c[nH]c3ccccc23)[nH+]1 ZINC000082230221 526997660 /nfs/dbraw/zinc/99/76/60/526997660.db2.gz BGICAOMQZINQEP-UHFFFAOYSA-N 1 0 352.442 2.103 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)nn2)CC1 ZINC000244763904 527412667 /nfs/dbraw/zinc/41/26/67/527412667.db2.gz OXNYBGIVNVMSNM-JZXOWHBKSA-N 1 0 373.432 2.073 50 0 FEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1noc2c1CCCC2 ZINC000020523154 527667902 /nfs/dbraw/zinc/66/79/02/527667902.db2.gz NZQFFYINPMBDAH-UHFFFAOYSA-N 1 0 368.481 2.496 50 0 FEAARO CCCc1cncnc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071760241 535444978 /nfs/dbraw/zinc/44/49/78/535444978.db2.gz VGRYNCLGXFLZHM-KRWDZBQOSA-N 1 0 371.529 2.389 50 0 FEAARO CCNC(=O)N1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000170591331 546161910 /nfs/dbraw/zinc/16/19/10/546161910.db2.gz VXWJJOQTDQIVSP-UHFFFAOYSA-N 1 0 368.522 2.371 50 0 FEAARO CN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000179073617 546896156 /nfs/dbraw/zinc/89/61/56/546896156.db2.gz KZPVTEYDAPETHQ-JTQLQIEISA-N 1 0 350.772 2.376 50 0 FEAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cn4cccnc4n3)C[C@H]12 ZINC000186036894 548075082 /nfs/dbraw/zinc/07/50/82/548075082.db2.gz TYWDASLHSNUNKK-VNQPRFMTSA-N 1 0 357.458 2.464 50 0 FEAARO CC(=O)OC(C)(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000187291285 548255133 /nfs/dbraw/zinc/25/51/33/548255133.db2.gz GGQAFXMFGWUZBC-GJZGRUSLSA-N 1 0 362.470 2.254 50 0 FEAARO Fc1ccccc1-n1cc(C[N@@H+]2CCCO[C@@H](Cn3cccn3)C2)cn1 ZINC000216101073 548675674 /nfs/dbraw/zinc/67/56/74/548675674.db2.gz WAKKLWKIKTWUQS-QGZVFWFLSA-N 1 0 355.417 2.499 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CC2=CSC3=NCCN23)CC1 ZINC000219858356 548696051 /nfs/dbraw/zinc/69/60/51/548696051.db2.gz BHVSCOAMCPSOSD-UHFFFAOYSA-N 1 0 357.483 2.079 50 0 FEAARO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@H+](CCCc1ccccc1)C2 ZINC000221254227 548703523 /nfs/dbraw/zinc/70/35/23/548703523.db2.gz DZQTZYITDRIYMV-HXUWFJFHSA-N 1 0 351.454 2.147 50 0 FEAARO Cc1nccn1CC[C@H](NC(=O)CCN1CCOCC1)c1ccccc1 ZINC000221257022 548704212 /nfs/dbraw/zinc/70/42/12/548704212.db2.gz JXCBMHZEDLXXJP-IBGZPJMESA-N 1 0 356.470 2.161 50 0 FEAARO O=C(C[NH+]1CCCCCC1)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000221316782 548705699 /nfs/dbraw/zinc/70/56/99/548705699.db2.gz LMCGUGOORAPUMJ-OAQYLSRUSA-N 1 0 368.481 2.183 50 0 FEAARO C[NH+](C)[C@@H]1CCCN(C(=O)C2(c3ccc(S(C)(=O)=O)cc3)CCC2)C1 ZINC000222743837 548711792 /nfs/dbraw/zinc/71/17/92/548711792.db2.gz COHMLEQHVMCXOY-MRXNPFEDSA-N 1 0 364.511 2.064 50 0 FEAARO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(O)(c2cccnc2)CC1 ZINC000230514957 548760105 /nfs/dbraw/zinc/76/01/05/548760105.db2.gz JASHNACBCKSJBS-FQEVSTJZSA-N 1 0 365.477 2.338 50 0 FEAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000236827664 548782783 /nfs/dbraw/zinc/78/27/83/548782783.db2.gz IKCGDTCVZAXQMA-HXUWFJFHSA-N 1 0 371.481 2.307 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC000237393375 548823268 /nfs/dbraw/zinc/82/32/68/548823268.db2.gz MIEUCSNADHVQTP-DOMZBBRYSA-N 1 0 364.467 2.319 50 0 FEAARO Cc1c(C(=O)N2CCC[NH2+]CC2)cnn1-c1cccc(Br)c1 ZINC000237743524 548849662 /nfs/dbraw/zinc/84/96/62/548849662.db2.gz QWUZNPPKXCOHSU-UHFFFAOYSA-N 1 0 363.259 2.379 50 0 FEAARO O=S(=O)(NC[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1Cl ZINC000237822799 548856262 /nfs/dbraw/zinc/85/62/62/548856262.db2.gz TWXTVMVAWWTDSX-VIFPVBQESA-N 1 0 367.696 2.380 50 0 FEAARO CCN1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1=O ZINC000241644178 548884631 /nfs/dbraw/zinc/88/46/31/548884631.db2.gz POXWPBJHVHFYBP-LJQANCHMSA-N 1 0 372.513 2.305 50 0 FEAARO Cc1ncsc1CCS(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000240897345 548884978 /nfs/dbraw/zinc/88/49/78/548884978.db2.gz ISHRVPJTJFLFMU-ZIAGYGMSSA-N 1 0 359.561 2.281 50 0 FEAARO C[C@@H](C(=O)N1CCN(Cc2ccccc2CO)CC1)[NH+]1CCCCCC1 ZINC000244633493 548891701 /nfs/dbraw/zinc/89/17/01/548891701.db2.gz GDZDCWVTILBIMP-SFHVURJKSA-N 1 0 359.514 2.088 50 0 FEAARO C[C@@H]1CCc2nc(NC(=O)CN3CCC4(COC(=O)O4)CC3)sc2C1 ZINC000244718770 548892454 /nfs/dbraw/zinc/89/24/54/548892454.db2.gz LQMKLMFLGDGHQK-LLVKDONJSA-N 1 0 365.455 2.208 50 0 FEAARO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000244724001 548893856 /nfs/dbraw/zinc/89/38/56/548893856.db2.gz MLVWJXAHLYACDJ-CQSZACIVSA-N 1 0 364.440 2.049 50 0 FEAARO CCc1nccn1CCC(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244787661 548894917 /nfs/dbraw/zinc/89/49/17/548894917.db2.gz QBCIFZNGVULSQU-LLGFUMIMSA-N 1 0 369.465 2.399 50 0 FEAARO COCCn1c(CNCc2c(F)cccc2Cl)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244795189 548896348 /nfs/dbraw/zinc/89/63/48/548896348.db2.gz RBGIJVLYXOVBCW-TXEJJXNPSA-N 1 0 367.856 2.212 50 0 FEAARO Cc1noc([C@@H]2CCCN2CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000244872994 548897142 /nfs/dbraw/zinc/89/71/42/548897142.db2.gz WIDKQTRANXPRBE-IBGZPJMESA-N 1 0 355.486 2.333 50 0 FEAARO Cc1ccccc1-n1cc(CN(C)Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)cn1 ZINC000244899408 548898408 /nfs/dbraw/zinc/89/84/08/548898408.db2.gz ZJGMACYORZUCTC-CALCHBBNSA-N 1 0 365.485 2.146 50 0 FEAARO C[C@@H](OCC(F)(F)F)C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248039720 549402844 /nfs/dbraw/zinc/40/28/44/549402844.db2.gz NSYBLNQPKDYRCU-ZBFHGGJFSA-N 1 0 373.419 2.059 50 0 FEAARO Cn1cc(-c2csc(CNc3ccc(N4CC[NH+](C)CC4)cn3)n2)cn1 ZINC000252527953 549673182 /nfs/dbraw/zinc/67/31/82/549673182.db2.gz DUUUWVYJSMVYCD-UHFFFAOYSA-N 1 0 369.498 2.303 50 0 FEAARO C[NH+](C)CCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 ZINC000253401848 549686265 /nfs/dbraw/zinc/68/62/65/549686265.db2.gz FWVAPHUANMWGLQ-UHFFFAOYSA-N 1 0 366.421 2.045 50 0 FEAARO COc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000281948803 551161205 /nfs/dbraw/zinc/16/12/05/551161205.db2.gz LXCXAAIXBGAXHW-SJLPKXTDSA-N 1 0 373.478 2.395 50 0 FEAARO Cn1nc([C@@H]2CCCOC2)cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000333263628 554595956 /nfs/dbraw/zinc/59/59/56/554595956.db2.gz GNCXDEZLFAGIDD-CVEARBPZSA-N 1 0 361.490 2.406 50 0 FEAARO Cn1nc([C@H]2CCCOC2)cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000333263631 554595974 /nfs/dbraw/zinc/59/59/74/554595974.db2.gz GNCXDEZLFAGIDD-JKSUJKDBSA-N 1 0 361.490 2.406 50 0 FEAARO Cc1[nH]c(=O)c(Br)cc1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000515293554 562003470 /nfs/dbraw/zinc/00/34/70/562003470.db2.gz RFIOTAQGPOKZGM-JTQLQIEISA-N 1 0 368.275 2.414 50 0 FEAARO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cnc2n1CCCC2 ZINC000370260802 556823574 /nfs/dbraw/zinc/82/35/74/556823574.db2.gz JMXIYFPXQBNSTD-IBGZPJMESA-N 1 0 366.465 2.372 50 0 FEAARO COc1ccc(CCNC(=O)N2CCC[N@H+](C)C3(CCN(C)CC3)C2)cc1 ZINC000426531853 559737099 /nfs/dbraw/zinc/73/70/99/559737099.db2.gz UQNCBZGBQSGQHK-UHFFFAOYSA-N 1 0 374.529 2.049 50 0 FEAARO O=C(NCCc1cn2ccccc2n1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426656965 559739713 /nfs/dbraw/zinc/73/97/13/559739713.db2.gz OTWJZBNGZGNXIU-UHFFFAOYSA-N 1 0 373.526 2.100 50 0 FEAARO C[NH+]1CCN(CCNC(=O)N(Cc2ccccn2)C2CCCCC2)CC1 ZINC000426705948 559740761 /nfs/dbraw/zinc/74/07/61/559740761.db2.gz XLSXNMIIOZTXKJ-UHFFFAOYSA-N 1 0 359.518 2.173 50 0 FEAARO C[NH+](C)C1(CNC(=O)N2CCC([C@H](O)c3ccccn3)CC2)CCCC1 ZINC000534645905 562539193 /nfs/dbraw/zinc/53/91/93/562539193.db2.gz XYCINHDLTINSES-SFHVURJKSA-N 1 0 360.502 2.411 50 0 FEAARO Cn1c(Sc2ccc(C(=O)N3CCCC3)cn2)nnc1C1CC[NH2+]CC1 ZINC000534665566 562539844 /nfs/dbraw/zinc/53/98/44/562539844.db2.gz VBONNPXUTDDIRI-UHFFFAOYSA-N 1 0 372.498 2.064 50 0 FEAARO O[C@@H](Cn1cccn1)C[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC000048260623 570938710 /nfs/dbraw/zinc/93/87/10/570938710.db2.gz LLKYYNRVJJMUMG-QGZVFWFLSA-N 1 0 356.495 2.277 50 0 FEAARO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000685940144 571099494 /nfs/dbraw/zinc/09/94/94/571099494.db2.gz XWKRJKHBJDIQNV-DLBZAZTESA-N 1 0 356.397 2.472 50 0 FEAARO CC[C@H](C)NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000035456186 571148224 /nfs/dbraw/zinc/14/82/24/571148224.db2.gz MXEOLFWTFHCHJW-HNNXBMFYSA-N 1 0 368.481 2.025 50 0 FEAARO Cc1cnc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nc1N(C)C ZINC000426372145 571216540 /nfs/dbraw/zinc/21/65/40/571216540.db2.gz BCPTXUIWIZZNOI-UHFFFAOYSA-N 1 0 353.470 2.344 50 0 FEAARO CCCn1ncnc1[C@H](C)NC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000584889057 571314230 /nfs/dbraw/zinc/31/42/30/571314230.db2.gz XYZLQYHSPFYIAV-INIZCTEOSA-N 1 0 371.489 2.374 50 0 FEAARO C[C@@H]1C[N@@H+](CCC(=O)N[C@H](Cn2cccn2)c2ccccc2)C[C@H](C)O1 ZINC000670467454 571358942 /nfs/dbraw/zinc/35/89/42/571358942.db2.gz CBCZKNYBGZCZJA-ZIFCJYIRSA-N 1 0 356.470 2.240 50 0 FEAARO Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000624389874 676576952 /nfs/dbraw/zinc/57/69/52/676576952.db2.gz NPYRJUXCVMENKI-UHFFFAOYSA-N 1 0 374.388 2.039 50 0 FEAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)C1 ZINC000667191293 679076220 /nfs/dbraw/zinc/07/62/20/679076220.db2.gz MTJDRLLTPOHRLQ-LBPRGKRZSA-N 1 0 371.478 2.471 50 0 FEAARO Cc1nc(C)c(C(=O)NCC2CCN(c3cc(C)[nH+]c(N)n3)CC2)s1 ZINC000952985177 681795797 /nfs/dbraw/zinc/79/57/97/681795797.db2.gz QCVCILUJJXQULB-UHFFFAOYSA-N 1 0 360.487 2.087 50 0 FEAARO C1CCC([NH+]2CCN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC2)C1 ZINC000029997636 721859449 /nfs/dbraw/zinc/85/94/49/721859449.db2.gz LTCKPROOVJDJHA-UHFFFAOYSA-N 1 0 371.533 2.137 50 0 FEAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000004152870 539377853 /nfs/dbraw/zinc/37/78/53/539377853.db2.gz XFHDBEBKWIZSMR-CQSZACIVSA-N 1 0 364.442 2.308 50 0 FEAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OCC(N)=O ZINC000004084934 539376293 /nfs/dbraw/zinc/37/62/93/539376293.db2.gz UIQCZOIUQLIIGP-UHFFFAOYSA-N 1 0 353.422 2.373 50 0 biogenic FEAARO CNC(=O)c1cccc(CNC(=O)c2ccc(C)cc2OCCC[NH3+])c1 ZINC000299783192 529947727 /nfs/dbraw/zinc/94/77/27/529947727.db2.gz UNHSWYJQFUGASB-UHFFFAOYSA-N 1 0 355.438 2.012 50 0 FEAARO COc1cc(COC[C@H](O)C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000006308212 539424929 /nfs/dbraw/zinc/42/49/29/539424929.db2.gz YAAFCTKXTHNSEV-MRXNPFEDSA-N 1 0 353.459 2.322 50 0 FEAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000006938686 539442252 /nfs/dbraw/zinc/44/22/52/539442252.db2.gz UVXRTCZARBPPPZ-KRWDZBQOSA-N 1 0 356.422 2.499 50 0 FEAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000007671035 539462945 /nfs/dbraw/zinc/46/29/45/539462945.db2.gz WXJYLTIOHBYMSR-UHFFFAOYSA-N 1 0 365.499 2.140 50 0 FEAARO Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000009917393 539509649 /nfs/dbraw/zinc/50/96/49/539509649.db2.gz XMYGGRLOPAOBOG-UHFFFAOYSA-N 1 0 353.466 2.411 50 0 FEAARO Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000010085711 539512810 /nfs/dbraw/zinc/51/28/10/539512810.db2.gz QSUGAVFWLVVYJL-UHFFFAOYSA-N 1 0 360.483 2.052 50 0 FEAARO COc1ccc(CCS(=O)(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000011693590 539533335 /nfs/dbraw/zinc/53/33/35/539533335.db2.gz ADCDHOGWKMKPIR-UHFFFAOYSA-N 1 0 354.516 2.278 50 0 FEAARO CC(C)C[NH+]1CCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000012152346 539546871 /nfs/dbraw/zinc/54/68/71/539546871.db2.gz ZBUVHEVMHLYBCZ-INIZCTEOSA-N 1 0 371.481 2.240 50 0 FEAARO CC(=O)c1cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cs1 ZINC000012753548 539571802 /nfs/dbraw/zinc/57/18/02/539571802.db2.gz JZLLJUPIXHFOKE-UHFFFAOYSA-N 1 0 358.467 2.028 50 0 FEAARO C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012810997 539575604 /nfs/dbraw/zinc/57/56/04/539575604.db2.gz MSWLVIWHIOVPRV-AWEZNQCLSA-N 1 0 358.417 2.379 50 0 FEAARO CCc1cccc2c([C@H](O)C[NH+]3CCN(c4ncccn4)CC3)c[nH]c21 ZINC000012896561 539578955 /nfs/dbraw/zinc/57/89/55/539578955.db2.gz BAOGDCNNWHWJEL-GOSISDBHSA-N 1 0 351.454 2.376 50 0 FEAARO C[NH+]1CCN(CCCNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000022933314 539703395 /nfs/dbraw/zinc/70/33/95/539703395.db2.gz RSJYZGBWGQAXTA-UHFFFAOYSA-N 1 0 360.285 2.126 50 0 FEAARO Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 ZINC000023373509 539712912 /nfs/dbraw/zinc/71/29/12/539712912.db2.gz UVUKYVIQNHGPQL-RTBURBONSA-N 1 0 359.539 2.392 50 0 FEAARO [NH3+]Cc1cn(CC2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)nn1 ZINC000023542406 539715577 /nfs/dbraw/zinc/71/55/77/539715577.db2.gz PQDSWTGVPPFHMM-UHFFFAOYSA-N 1 0 361.877 2.262 50 0 FEAARO CCS(=O)(=O)N1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000030667895 539888334 /nfs/dbraw/zinc/88/83/34/539888334.db2.gz YOKDTPVWWSEYBT-UHFFFAOYSA-N 1 0 367.334 2.414 50 0 FEAARO CSCC[C@@H]1NC(=S)N(CC2([NH+]3CCSCC3)CCCC2)C1=O ZINC000030920763 539894353 /nfs/dbraw/zinc/89/43/53/539894353.db2.gz BUEMNRZOKUTQPX-ZDUSSCGKSA-N 1 0 373.613 2.186 50 0 FEAARO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000032594113 539944355 /nfs/dbraw/zinc/94/43/55/539944355.db2.gz VICAPRZGFCCPNK-HNNXBMFYSA-N 1 0 372.469 2.106 50 0 FEAARO COc1ccc([C@@H](C[NH2+]Cc2c(C)nn(C)c2C)N2CCOCC2)cc1 ZINC000032740384 539949915 /nfs/dbraw/zinc/94/99/15/539949915.db2.gz NDPFAABCINARSR-HXUWFJFHSA-N 1 0 358.486 2.209 50 0 FEAARO CCN1CCN(C(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000035505087 539982779 /nfs/dbraw/zinc/98/27/79/539982779.db2.gz HHUKLWQAZUZPAX-CQSZACIVSA-N 1 0 359.499 2.072 50 0 FEAARO C[NH2+]C1(c2nnnn2-c2ccc3c(c2)OCCO3)C2CC3CC(C2)CC1C3 ZINC000035606508 539984104 /nfs/dbraw/zinc/98/41/04/539984104.db2.gz FJCWVVCIIHXCPV-UHFFFAOYSA-N 1 0 367.453 2.304 50 0 FEAARO O=C(C[NH+]1CCC(Cn2cnc3ccccc32)CC1)NC[C@H]1CCCO1 ZINC000036708879 539992961 /nfs/dbraw/zinc/99/29/61/539992961.db2.gz IIXZPJKDIUWTLJ-QGZVFWFLSA-N 1 0 356.470 2.044 50 0 FEAARO C[N@H+](CCCNC(=O)c1ccccc1S(C)(=O)=O)Cc1ccccc1 ZINC000040017178 540003994 /nfs/dbraw/zinc/00/39/94/540003994.db2.gz SAOLKODSEFUIEK-UHFFFAOYSA-N 1 0 360.479 2.342 50 0 FEAARO CCc1c(C)sc2nc3n(CC[NH+](C)C)nc(SC)n3c(=O)c12 ZINC000040266317 540009508 /nfs/dbraw/zinc/00/95/08/540009508.db2.gz ZAMXPAHWRJBLKA-UHFFFAOYSA-N 1 0 351.501 2.260 50 0 FEAARO Cc1cc2nc(CN(C)Cc3nnc([C@H]4C[C@H]([NH3+])C4)n3C)[nH]c2cc1C ZINC000244734522 222934229 /nfs/dbraw/zinc/93/42/29/222934229.db2.gz NHDDLCLCXHPKHO-HDJSIYSDSA-N 1 0 353.474 2.145 50 0 FEAARO CN(C)S(=O)(=O)CCC[NH+]1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000252500553 222976397 /nfs/dbraw/zinc/97/63/97/222976397.db2.gz SXQKNEFNFAUZSZ-UHFFFAOYSA-N 1 0 368.478 2.163 50 0 FEAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)C1 ZINC000299739007 223078646 /nfs/dbraw/zinc/07/86/46/223078646.db2.gz JJZVHVKAMPIUFL-INIZCTEOSA-N 1 0 358.463 2.081 50 0 FEAARO Cc1nc(=O)[nH]c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299755781 223081439 /nfs/dbraw/zinc/08/14/39/223081439.db2.gz CTTMZCOUMWTTOG-SFHVURJKSA-N 1 0 368.481 2.370 50 0 FEAARO O=C1CCCN1CCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccccc1F ZINC000299763182 223085154 /nfs/dbraw/zinc/08/51/54/223085154.db2.gz ZVOZGVNJJDCAHV-KRWDZBQOSA-N 1 0 361.461 2.309 50 0 FEAARO Cn1nc(C(C)(C)C)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299761287 223085213 /nfs/dbraw/zinc/08/52/13/223085213.db2.gz ILYWABWLVARDBJ-HNNXBMFYSA-N 1 0 363.506 2.483 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)c1ccccc1C(F)(F)F ZINC000299802138 223105678 /nfs/dbraw/zinc/10/56/78/223105678.db2.gz XPMVQCVNLIENPG-ZDUSSCGKSA-N 1 0 371.403 2.378 50 0 FEAARO COc1ccc(NC(=O)N2CCC([NH+]3CCSCC3)CC2)c(OC)n1 ZINC000299801695 223105867 /nfs/dbraw/zinc/10/58/67/223105867.db2.gz XEWWARKFDMFWLV-UHFFFAOYSA-N 1 0 366.487 2.144 50 0 FEAARO CN(C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)C1CC[NH+](C)CC1 ZINC000299802380 223106102 /nfs/dbraw/zinc/10/61/02/223106102.db2.gz YZCFWXWGTZRSIG-UHFFFAOYSA-N 1 0 364.511 2.064 50 0 FEAARO Cc1n[nH]c(C)c1-c1cccc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)c1 ZINC000299790066 223098112 /nfs/dbraw/zinc/09/81/12/223098112.db2.gz AQEZKHXFMNNAPR-SFHVURJKSA-N 1 0 356.470 2.270 50 0 FEAARO O=S1(=O)CC[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)c2ccccc21 ZINC000328595160 223116394 /nfs/dbraw/zinc/11/63/94/223116394.db2.gz MIUZNMOPGGEYAP-HNNXBMFYSA-N 1 0 361.419 2.302 50 0 FEAARO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061649068 541137090 /nfs/dbraw/zinc/13/70/90/541137090.db2.gz IRWHDSMPCUYEBU-JKSUJKDBSA-N 1 0 359.401 2.382 50 0 FEAARO Fc1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1N1CCOCC1 ZINC000065508297 541241292 /nfs/dbraw/zinc/24/12/92/541241292.db2.gz ZGTSLVWWMMOHSB-INIZCTEOSA-N 1 0 357.433 2.139 50 0 FEAARO Cn1cc(CCC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072129706 541784977 /nfs/dbraw/zinc/78/49/77/541784977.db2.gz CQQQPQYMTGMCIF-FQEVSTJZSA-N 1 0 352.482 2.054 50 0 FEAARO Cc1cc(N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)nc(N(C)C)[nH+]1 ZINC000072142931 541787170 /nfs/dbraw/zinc/78/71/70/541787170.db2.gz WPYRGHJXSGPTIW-MRXNPFEDSA-N 1 0 357.433 2.246 50 0 FEAARO COc1ccccc1[C@@H]1CN(C(=O)c2nonc2C)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072149085 541789113 /nfs/dbraw/zinc/78/91/13/541789113.db2.gz MUOGPKIVJOKWSZ-KFKAGJAMSA-N 1 0 368.437 2.089 50 0 FEAARO Cc1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000072164100 541793509 /nfs/dbraw/zinc/79/35/09/541793509.db2.gz LRRDOHPNJREOQA-QXAKKESOSA-N 1 0 352.438 2.126 50 0 FEAARO Nc1ccnc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072165390 541794041 /nfs/dbraw/zinc/79/40/41/541794041.db2.gz RGUJQVGUNGIAHL-FSPWUOQZSA-N 1 0 357.408 2.404 50 0 FEAARO COC(=O)c1cc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072166018 541794458 /nfs/dbraw/zinc/79/44/58/541794458.db2.gz BIPKQQCDJPVAFX-PWIZWCRZSA-N 1 0 364.449 2.330 50 0 FEAARO CCCc1nc2c(cnn2C)c(N2CCCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC000072169933 541795308 /nfs/dbraw/zinc/79/53/08/541795308.db2.gz GASGDEAAPFKJAF-OAHLLOKOSA-N 1 0 358.490 2.007 50 0 FEAARO C[C@@H](C1CCN(C(=O)COc2ccc(F)cc2)CC1)[NH+]1CCOCC1 ZINC000072409045 541806710 /nfs/dbraw/zinc/80/67/10/541806710.db2.gz XCCBJVQCKXALBZ-HNNXBMFYSA-N 1 0 350.434 2.164 50 0 FEAARO Cc1nc2c(c(NCc3ccncc3)n1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000072433006 541813473 /nfs/dbraw/zinc/81/34/73/541813473.db2.gz HANLGHUIRNUMAA-QGZVFWFLSA-N 1 0 353.470 2.229 50 0 FEAARO Cc1cc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)on1 ZINC000072436282 541814029 /nfs/dbraw/zinc/81/40/29/541814029.db2.gz VLZSJQRLPQJYPA-MRXNPFEDSA-N 1 0 358.490 2.477 50 0 FEAARO Cc1cc2nc(C(C)C)cc(N3CCN(c4cc(C)[nH+]c(N)n4)CC3)n2n1 ZINC000072470070 541818539 /nfs/dbraw/zinc/81/85/39/541818539.db2.gz VRZLVAIEUMSKAR-UHFFFAOYSA-N 1 0 366.473 2.168 50 0 FEAARO COc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)c1 ZINC000072440512 541815319 /nfs/dbraw/zinc/81/53/19/541815319.db2.gz RKPQVYBDXKJIIE-KBXCAEBGSA-N 1 0 350.434 2.030 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072448168 541816078 /nfs/dbraw/zinc/81/60/78/541816078.db2.gz VPXISIUKUXTSJR-SFHVURJKSA-N 1 0 355.486 2.027 50 0 FEAARO Cc1cc2oc(C(=O)N3CCOC34CC[NH+](C)CC4)cc(=O)c2cc1C ZINC000013692153 220086889 /nfs/dbraw/zinc/08/68/89/220086889.db2.gz OYJFVTXTSXVVAN-UHFFFAOYSA-N 1 0 356.422 2.304 50 0 FEAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000014135248 220108584 /nfs/dbraw/zinc/10/85/84/220108584.db2.gz WZGRAPJWPIWQMS-INIZCTEOSA-N 1 0 358.438 2.021 50 0 FEAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000014742703 220131399 /nfs/dbraw/zinc/13/13/99/220131399.db2.gz WMOHOEFSVAIELB-KRWDZBQOSA-N 1 0 374.529 2.401 50 0 FEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](N(C)CCC[NH+](C)C)C1 ZINC000014979165 220138462 /nfs/dbraw/zinc/13/84/62/220138462.db2.gz DHJSYCXJVONKRK-KRWDZBQOSA-N 1 0 371.522 2.171 50 0 FEAARO Cc1nnc(CC(=O)N2CCC[C@@H]3C[N@H+](Cc4ccc(F)cc4)CC[C@H]32)[nH]1 ZINC000014998668 220139592 /nfs/dbraw/zinc/13/95/92/220139592.db2.gz CAPIQZZGKGXTOY-SJLPKXTDSA-N 1 0 371.460 2.308 50 0 FEAARO CC[C@H](C)C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000014988691 220139714 /nfs/dbraw/zinc/13/97/14/220139714.db2.gz ABLGZZWRNWBPKW-HNNXBMFYSA-N 1 0 373.476 2.294 50 0 FEAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccc2nonc2c1 ZINC000015074508 220145208 /nfs/dbraw/zinc/14/52/08/220145208.db2.gz LTVAYZPTRDGCFQ-FQEVSTJZSA-N 1 0 372.469 2.246 50 0 FEAARO COCCCNC(=O)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015727022 220161577 /nfs/dbraw/zinc/16/15/77/220161577.db2.gz GNANQHCQQOFBKM-UHFFFAOYSA-N 1 0 360.433 2.245 50 0 FEAARO CCN1CC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)OC1=O ZINC000077338625 542368689 /nfs/dbraw/zinc/36/86/89/542368689.db2.gz KCGOYCXIUNOCCG-SFHVURJKSA-N 1 0 371.481 2.484 50 0 FEAARO CSCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000019788028 220297235 /nfs/dbraw/zinc/29/72/35/220297235.db2.gz YLHACCTUVUDHFQ-MOPGFXCFSA-N 1 0 360.523 2.421 50 0 FEAARO CC(=O)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019850423 220300725 /nfs/dbraw/zinc/30/07/25/220300725.db2.gz CVPQMOQOJPZREW-QGZVFWFLSA-N 1 0 351.450 2.320 50 0 FEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCCC1)C2 ZINC000020118818 220314005 /nfs/dbraw/zinc/31/40/05/220314005.db2.gz FZADUFWHEJPLSG-HNNXBMFYSA-N 1 0 362.543 2.482 50 0 FEAARO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccc3OCCO)C2)CN1C1CC1 ZINC000077379807 542375344 /nfs/dbraw/zinc/37/53/44/542375344.db2.gz QGDBYIMQGPZVFE-OAQYLSRUSA-N 1 0 358.482 2.425 50 0 FEAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCN1CCCCC1)C2 ZINC000020994101 220347719 /nfs/dbraw/zinc/34/77/19/220347719.db2.gz KTEHXCRGVCHYAZ-KRWDZBQOSA-N 1 0 373.545 2.072 50 0 FEAARO COc1ccc(-c2nn(CN3CC[NH+](C)CC3)c(=S)o2)cc1OC ZINC000022038490 220375652 /nfs/dbraw/zinc/37/56/52/220375652.db2.gz YJVKWBSSFBWTEM-UHFFFAOYSA-N 1 0 350.444 2.095 50 0 FEAARO Cc1ccc([C@@H](CNS(=O)(=O)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022579272 220391162 /nfs/dbraw/zinc/39/11/62/220391162.db2.gz WAAOWWKXNDVTIY-HXUWFJFHSA-N 1 0 373.522 2.262 50 0 FEAARO CCOC(=O)c1cccc(OC[C@@H](O)CNCC[NH+](C(C)C)C(C)C)c1 ZINC000022782785 220399296 /nfs/dbraw/zinc/39/92/96/220399296.db2.gz DXCUERULBCUFBO-SFHVURJKSA-N 1 0 366.502 2.311 50 0 FEAARO COc1cc2c(cc1OC)C[N@@H+](C1CCN(Cc3ncon3)CC1)CC2 ZINC000299756698 533171032 /nfs/dbraw/zinc/17/10/32/533171032.db2.gz HUEOXZSNPKOFHQ-UHFFFAOYSA-N 1 0 358.442 2.110 50 0 FEAARO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)s2)cc1 ZINC000299751465 533192887 /nfs/dbraw/zinc/19/28/87/533192887.db2.gz QOKHROCETJUFED-XEGUGMAKSA-N 1 0 361.467 2.027 50 0 FEAARO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000040073509 220875401 /nfs/dbraw/zinc/87/54/01/220875401.db2.gz SQWRGPUAMPUCGT-GOSISDBHSA-N 1 0 359.514 2.172 50 0 FEAARO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000044556277 220958418 /nfs/dbraw/zinc/95/84/18/220958418.db2.gz SVZIXDSOXWILDU-JTQLQIEISA-N 1 0 351.241 2.090 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2)C1 ZINC000048310012 221006228 /nfs/dbraw/zinc/00/62/28/221006228.db2.gz SUGKURLIGMITRB-IYBDPMFKSA-N 1 0 370.497 2.389 50 0 FEAARO Cc1c(NCc2cccnc2)cccc1C(=O)NCC[N@@H+]1CCC[C@@H](O)C1 ZINC000055182444 221061429 /nfs/dbraw/zinc/06/14/29/221061429.db2.gz HWGHWRHTKZDHEB-GOSISDBHSA-N 1 0 368.481 2.189 50 0 FEAARO CC(C)C[NH+]1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 ZINC000055168464 221061634 /nfs/dbraw/zinc/06/16/34/221061634.db2.gz IXQSSVKASMXBLB-UHFFFAOYSA-N 1 0 367.440 2.275 50 0 FEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CSc2nnnn2C2CC2)C1 ZINC000054224044 221051662 /nfs/dbraw/zinc/05/16/62/221051662.db2.gz GBWJUBACLCACNA-HIFRSBDPSA-N 1 0 372.498 2.052 50 0 FEAARO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054994497 221055921 /nfs/dbraw/zinc/05/59/21/221055921.db2.gz ZBOLKUFPYZTSLS-CQSZACIVSA-N 1 0 352.862 2.419 50 0 FEAARO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)cc1OC ZINC000056181961 221078278 /nfs/dbraw/zinc/07/82/78/221078278.db2.gz DGSQEVWAADAFCI-QWHCGFSZSA-N 1 0 351.447 2.225 50 0 FEAARO COCCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000057172704 221084739 /nfs/dbraw/zinc/08/47/39/221084739.db2.gz BYRZLJVBYZNVRM-IBGZPJMESA-N 1 0 369.465 2.388 50 0 FEAARO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000058179462 221103685 /nfs/dbraw/zinc/10/36/85/221103685.db2.gz HSGZIBJUVLHPCI-UHFFFAOYSA-N 1 0 367.457 2.377 50 0 FEAARO C[C@@H](CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)[NH+]1CCC(C)CC1 ZINC000058197803 221105609 /nfs/dbraw/zinc/10/56/09/221105609.db2.gz ZJQMRUPKUUFBLB-KRWDZBQOSA-N 1 0 368.481 2.147 50 0 FEAARO Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000058209588 221107172 /nfs/dbraw/zinc/10/71/72/221107172.db2.gz DCQDKKOGUHMWSG-AWEZNQCLSA-N 1 0 354.410 2.166 50 0 FEAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cc(=O)n(C)c(=O)n2C)cc1 ZINC000057373553 221087851 /nfs/dbraw/zinc/08/78/51/221087851.db2.gz VLSYWIROWHABRO-GOSISDBHSA-N 1 0 357.454 2.210 50 0 FEAARO CCCN1C2=C(C(=O)N(CC[NH+]3CCCC3)C2)[C@@H](c2ccccc2)NC1=O ZINC000057531499 221091070 /nfs/dbraw/zinc/09/10/70/221091070.db2.gz BRTWOXVPLSFKRR-LJQANCHMSA-N 1 0 368.481 2.355 50 0 FEAARO COc1cc(OC)c(OC)cc1CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000058264599 221111094 /nfs/dbraw/zinc/11/10/94/221111094.db2.gz PYCMYGURUICPHU-UHFFFAOYSA-N 1 0 363.458 2.092 50 0 FEAARO CCOC(=O)c1c(C)c(CCC(=O)NCC[NH+]2CCCCC2)n(C)c1C ZINC000064970561 221159655 /nfs/dbraw/zinc/15/96/55/221159655.db2.gz TVDJAXCIXUCNBZ-UHFFFAOYSA-N 1 0 363.502 2.353 50 0 FEAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000065288775 221196230 /nfs/dbraw/zinc/19/62/30/221196230.db2.gz JPTVTNFJOUFZER-KRWDZBQOSA-N 1 0 359.470 2.048 50 0 FEAARO CCc1nc(C)c([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](CC)C[C@H]32)[nH]1 ZINC000065383407 221207375 /nfs/dbraw/zinc/20/73/75/221207375.db2.gz UIGMRZBSQOXNBX-SQBLYHGDSA-N 1 0 354.498 2.381 50 0 FEAARO Cc1cncc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000065383574 221207457 /nfs/dbraw/zinc/20/74/57/221207457.db2.gz YUNUZLJIIVJMFG-KRWDZBQOSA-N 1 0 352.438 2.340 50 0 FEAARO Cc1ccc([C@@H](C)NC(=O)CN2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000065382173 221207745 /nfs/dbraw/zinc/20/77/45/221207745.db2.gz PSERXMWHNXWPGZ-GOSISDBHSA-N 1 0 359.514 2.095 50 0 FEAARO COc1ccc(-n2ccnc2CN2CCC([NH+]3CCC(O)CC3)CC2)cc1 ZINC000065382599 221207791 /nfs/dbraw/zinc/20/77/91/221207791.db2.gz DEGFKVWTUDCGRX-UHFFFAOYSA-N 1 0 370.497 2.302 50 0 FEAARO O=C(CCNC(=O)c1ccc(F)cc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065475284 221223791 /nfs/dbraw/zinc/22/37/91/221223791.db2.gz MGLVFEULLZWEIB-AWEZNQCLSA-N 1 0 367.852 2.296 50 0 FEAARO Cc1cccc(CN2CCN(C(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2=O)c1 ZINC000065496274 221226699 /nfs/dbraw/zinc/22/66/99/221226699.db2.gz JCWKWICUKVYVAU-SFHVURJKSA-N 1 0 357.498 2.288 50 0 FEAARO Cc1cc(C)c2oc(=O)cc(C[NH2+]CCNC(=O)c3cccnc3)c2c1 ZINC000065499588 221227459 /nfs/dbraw/zinc/22/74/59/221227459.db2.gz LDFDAVCOPAYIBI-UHFFFAOYSA-N 1 0 351.406 2.324 50 0 FEAARO Cc1n[nH]c(C)c1C[C@H](C)[N@@H+]1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000067643099 221265314 /nfs/dbraw/zinc/26/53/14/221265314.db2.gz RCSWBTRYDNCVLD-AWEZNQCLSA-N 1 0 370.501 2.296 50 0 FEAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000067489979 221257805 /nfs/dbraw/zinc/25/78/05/221257805.db2.gz FDTGAHUGVQKKNX-UGSOOPFHSA-N 1 0 368.481 2.113 50 0 FEAARO CC(C)c1nccn1[C@@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067562273 221259731 /nfs/dbraw/zinc/25/97/31/221259731.db2.gz VICQZVDWLOTJOQ-INIZCTEOSA-N 1 0 370.501 2.031 50 0 FEAARO Cc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)[nH+]2)cc1C ZINC000067602010 221260468 /nfs/dbraw/zinc/26/04/68/221260468.db2.gz RYHNGGZRRYUIQH-UHFFFAOYSA-N 1 0 369.469 2.080 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]CCC(C)C)C2=O)c1 ZINC000067804957 221289179 /nfs/dbraw/zinc/28/91/79/221289179.db2.gz ZGLJYZVFSKQVMA-LJQANCHMSA-N 1 0 352.450 2.324 50 0 FEAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)CC3(CO)CC3)C2=O)cc1 ZINC000067757507 221281301 /nfs/dbraw/zinc/28/13/01/221281301.db2.gz CHMJINHGXFRZLO-QFIPXVFZSA-N 1 0 374.525 2.368 50 0 FEAARO C[N@H+](Cc1cccc(O)c1)C[C@@]1(O)CCCN(CCc2ccccc2)C1=O ZINC000067773223 221284108 /nfs/dbraw/zinc/28/41/08/221284108.db2.gz UWSUCMANVCWDQL-QFIPXVFZSA-N 1 0 368.477 2.420 50 0 FEAARO O=C(N[C@@H]1CC[NH2+]C1)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000067866937 221296515 /nfs/dbraw/zinc/29/65/15/221296515.db2.gz WQLHUUZDIQVAFW-LLVKDONJSA-N 1 0 354.332 2.099 50 0 FEAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Cn2cnc3ccccc32)n[nH]1 ZINC000067885073 221300482 /nfs/dbraw/zinc/30/04/82/221300482.db2.gz KUIQNACCRKTWQE-HNNXBMFYSA-N 1 0 366.469 2.222 50 0 FEAARO C[NH+](C)CCNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 ZINC000067884041 221301693 /nfs/dbraw/zinc/30/16/93/221301693.db2.gz RLYZWZLWQKLLPT-GOSISDBHSA-N 1 0 370.501 2.337 50 0 FEAARO O=C1N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccncc1 ZINC000067833576 221290866 /nfs/dbraw/zinc/29/08/66/221290866.db2.gz DLLSBOPFDTXBRQ-NRFANRHFSA-N 1 0 364.449 2.115 50 0 FEAARO COc1cc(CCC(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)ccc1C ZINC000067920549 221305653 /nfs/dbraw/zinc/30/56/53/221305653.db2.gz IOBUWICZTUFMOK-UHFFFAOYSA-N 1 0 359.514 2.175 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(CCCn3cccn3)CC2)C1)N1CCCC1 ZINC000071499130 221351012 /nfs/dbraw/zinc/35/10/12/221351012.db2.gz MLVFUKUCDJEGGA-LJQANCHMSA-N 1 0 373.545 2.072 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N2CCC[N@H+](C)C[C@H]2C)n[nH]1 ZINC000071761571 221367651 /nfs/dbraw/zinc/36/76/51/221367651.db2.gz GEMPPWJYXWMLIR-CQSZACIVSA-N 1 0 358.442 2.164 50 0 FEAARO COCCN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760961 221368433 /nfs/dbraw/zinc/36/84/33/221368433.db2.gz AULGBXNEWWMKTE-HXUWFJFHSA-N 1 0 373.541 2.168 50 0 FEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000071681848 221353551 /nfs/dbraw/zinc/35/35/51/221353551.db2.gz FAZXWNBJFSKQQZ-LJQANCHMSA-N 1 0 356.514 2.380 50 0 FEAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](C2CCN(C)CC2)CC1 ZINC000082107625 542684281 /nfs/dbraw/zinc/68/42/81/542684281.db2.gz YAGFQLBIYWUTRQ-UHFFFAOYSA-N 1 0 360.550 2.167 50 0 FEAARO CCOc1ccc(C(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1 ZINC000077136081 132179268 /nfs/dbraw/zinc/17/92/68/132179268.db2.gz QNFGNUVEVBGACM-UHFFFAOYSA-N 1 0 369.469 2.212 50 0 FEAARO Cc1noc2nc(C)nc(N3CC[NH+](CCOc4ccccc4)CC3)c12 ZINC000077525553 132188813 /nfs/dbraw/zinc/18/88/13/132188813.db2.gz AKDXVFATADFZJU-UHFFFAOYSA-N 1 0 353.426 2.436 50 0 FEAARO CNc1nc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)ncc1F ZINC000095379119 132209419 /nfs/dbraw/zinc/20/94/19/132209419.db2.gz NEBOHYNRBDOGAK-UHFFFAOYSA-N 1 0 361.469 2.190 50 0 FEAARO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCc1ccncc1 ZINC000095454725 132211401 /nfs/dbraw/zinc/21/14/01/132211401.db2.gz OFBFGHHSPIAEDT-QGZVFWFLSA-N 1 0 368.481 2.420 50 0 FEAARO CCc1cc(N2CCC(NCc3noc(C)n3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095501771 132212178 /nfs/dbraw/zinc/21/21/78/132212178.db2.gz PQHFKVCOGHPFJE-UHFFFAOYSA-N 1 0 371.489 2.089 50 0 FEAARO Cc1ccc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)c(C)c1 ZINC000222270928 132276850 /nfs/dbraw/zinc/27/68/50/132276850.db2.gz GKMXSWLETYZVQU-UHFFFAOYSA-N 1 0 352.486 2.207 50 0 FEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCN(c2ncccn2)CC1 ZINC000230205249 132288985 /nfs/dbraw/zinc/28/89/85/132288985.db2.gz VKAZICGGDJNPHG-MSOLQXFVSA-N 1 0 357.502 2.074 50 0 FEAARO COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCN(Cc3cccs3)CC2)n1 ZINC000252528098 132292989 /nfs/dbraw/zinc/29/29/89/132292989.db2.gz FBTCSMXGUSEXQO-GASCZTMLSA-N 1 0 373.526 2.211 50 0 FEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(c2ncccn2)CC1 ZINC000225411356 132374629 /nfs/dbraw/zinc/37/46/29/132374629.db2.gz VKAZICGGDJNPHG-QZTJIDSGSA-N 1 0 357.502 2.074 50 0 FEAARO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000089905717 542773087 /nfs/dbraw/zinc/77/30/87/542773087.db2.gz LOJVENLXMAQYDG-ZDUSSCGKSA-N 1 0 355.394 2.457 50 0 FEAARO Cc1cc(C)c(C[NH+]2CCC3(CCC(=O)N(CC(N)=O)C3)CC2)cc1C ZINC000091440342 542808078 /nfs/dbraw/zinc/80/80/78/542808078.db2.gz WPXMHPYBDVZXJT-UHFFFAOYSA-N 1 0 357.498 2.302 50 0 FEAARO C[N@@H+]1CCN(C(=O)NC2CCCC2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000091474098 542809058 /nfs/dbraw/zinc/80/90/58/542809058.db2.gz ZPIYWSQWYMWPPR-HXUWFJFHSA-N 1 0 362.518 2.047 50 0 FEAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000091486805 542810507 /nfs/dbraw/zinc/81/05/07/542810507.db2.gz BOFXAUZPXYMLQR-OQRUQETBSA-N 1 0 361.461 2.279 50 0 FEAARO C[N@@H+]1CCN(C(=O)OCc2ccccc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000091643680 542817337 /nfs/dbraw/zinc/81/73/37/542817337.db2.gz YRDMQHQVBWGREY-GOSISDBHSA-N 1 0 365.861 2.263 50 0 FEAARO Cc1cnc(CN2CC3(CCC2=O)CC[NH+](CC[C@H]2CCOC2)CC3)cn1 ZINC000091664360 542818948 /nfs/dbraw/zinc/81/89/48/542818948.db2.gz AIBGYFWMRQEHSR-SFHVURJKSA-N 1 0 372.513 2.416 50 0 FEAARO O=C(CCn1cncn1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091757749 542824757 /nfs/dbraw/zinc/82/47/57/542824757.db2.gz HOTICLMQLPMGAN-VQTJNVASSA-N 1 0 367.497 2.224 50 0 FEAARO CC(C)(C(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2)[NH+]1CCCC1 ZINC000091645344 542818224 /nfs/dbraw/zinc/81/82/24/542818224.db2.gz AJZWIIWAALRSNN-FUHWJXTLSA-N 1 0 370.497 2.019 50 0 FEAARO COc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H](C1)C(=O)N3CC1CC1)OCO2 ZINC000091849135 542828229 /nfs/dbraw/zinc/82/82/29/542828229.db2.gz LGXQOTZOXBFZRI-GOEBONIOSA-N 1 0 358.438 2.257 50 0 FEAARO CCC[C@H]1CN(C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)C[C@@H]1[NH3+] ZINC000092062530 542842392 /nfs/dbraw/zinc/84/23/92/542842392.db2.gz WOIPYTLKNSDFKH-HKUYNNGSSA-N 1 0 373.497 2.277 50 0 FEAARO CC(C)(C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000091950918 542834051 /nfs/dbraw/zinc/83/40/51/542834051.db2.gz KGUAAQPRJLHZFR-VQTJNVASSA-N 1 0 371.525 2.220 50 0 FEAARO [NH3+][C@H]1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)C1 ZINC000092003534 542836750 /nfs/dbraw/zinc/83/67/50/542836750.db2.gz BSUVINRFIOJEQS-VIFPVBQESA-N 1 0 367.236 2.253 50 0 FEAARO Cc1cc(C)nc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)n1 ZINC000092028834 542838935 /nfs/dbraw/zinc/83/89/35/542838935.db2.gz KYPDSSHOQVVIRX-HXUWFJFHSA-N 1 0 358.486 2.087 50 0 FEAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1nc(-c3ccccc3F)no1)C2 ZINC000092106938 542846392 /nfs/dbraw/zinc/84/63/92/542846392.db2.gz WNLLOKRIPFHNMS-ZIAGYGMSSA-N 1 0 358.417 2.361 50 0 FEAARO CCc1nnsc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000054573933 136125539 /nfs/dbraw/zinc/12/55/39/136125539.db2.gz WGUSIVGLKBJSIX-UHFFFAOYSA-N 1 0 373.526 2.433 50 0 FEAARO Cc1nc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000072115614 136141941 /nfs/dbraw/zinc/14/19/41/136141941.db2.gz IAWIYRCXZURPAK-UHFFFAOYSA-N 1 0 373.888 2.396 50 0 FEAARO CC(C)Nc1cc(N2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)ncn1 ZINC000072428723 136146606 /nfs/dbraw/zinc/14/66/06/136146606.db2.gz FDOUVDFWSADTFS-OAHLLOKOSA-N 1 0 361.515 2.432 50 0 FEAARO Cc1nc2c(c(N3CCC[C@H](O)C3)n1)CC[N@H+](Cc1cccs1)CC2 ZINC000072433042 136147079 /nfs/dbraw/zinc/14/70/79/136147079.db2.gz HZCVMAMJRIGAPB-HNNXBMFYSA-N 1 0 358.511 2.408 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3ccon3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095374428 542963981 /nfs/dbraw/zinc/96/39/81/542963981.db2.gz RUBHWXNLEYJGCI-QXAKKESOSA-N 1 0 353.422 2.386 50 0 FEAARO Cc1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n(C)n1 ZINC000095391802 542967890 /nfs/dbraw/zinc/96/78/90/542967890.db2.gz YZZQUXCKJCBGBD-DFQSSKMNSA-N 1 0 366.465 2.137 50 0 FEAARO CCSc1nc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CCOC)C2)cs1 ZINC000095389030 542967577 /nfs/dbraw/zinc/96/75/77/542967577.db2.gz HNBYMPJEWJBPRX-UKRRQHHQSA-N 1 0 369.556 2.367 50 0 FEAARO O=C(NCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1ccc(F)cc1 ZINC000095507744 542976492 /nfs/dbraw/zinc/97/64/92/542976492.db2.gz GPTOMRMYPQNZLY-MRXNPFEDSA-N 1 0 373.428 2.177 50 0 FEAARO CCc1nc(-c2cccc(NC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3OC)c2)n[nH]1 ZINC000095511429 542976906 /nfs/dbraw/zinc/97/69/06/542976906.db2.gz WOGYWDGEOAKAMQ-HOTGVXAUSA-N 1 0 372.473 2.263 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCc2nncn2CCc2ccccc2)C1 ZINC000095515117 542977529 /nfs/dbraw/zinc/97/75/29/542977529.db2.gz UHCCSXSTGWTOHY-SFHVURJKSA-N 1 0 355.486 2.257 50 0 FEAARO Cc1cc(C(=O)N2CCC(CCC(=O)NCC[NH+](C)C)CC2)ccc1O ZINC000095524824 542980714 /nfs/dbraw/zinc/98/07/14/542980714.db2.gz VGCBTBNIOMKWQH-UHFFFAOYSA-N 1 0 361.486 2.011 50 0 FEAARO CCOc1ccc2nc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cn2n1 ZINC000097097274 543005005 /nfs/dbraw/zinc/00/50/05/543005005.db2.gz FFODHCRXODGMHM-UHFFFAOYSA-N 1 0 357.458 2.219 50 0 FEAARO COc1ccc(CN2C(=O)[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)cc1 ZINC000097756615 543015914 /nfs/dbraw/zinc/01/59/14/543015914.db2.gz NOFXSVMICWNMAP-RTBURBONSA-N 1 0 350.418 2.312 50 0 FEAARO COc1cc(Br)c(C[NH2+]CC2(O)CCOCC2)cc1OC ZINC000112717118 543459669 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FEAARO Cc1ccc(NC(=O)NCC[C@H]2CCC(=O)N2CC[NH+](C)C)cc1F ZINC000096162103 222061681 /nfs/dbraw/zinc/06/16/81/222061681.db2.gz YKLAYZZVTNICQM-OAHLLOKOSA-N 1 0 350.438 2.198 50 0 FEAARO CN(C(=O)c1ccnc(-n2cnnc2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097775804 222212639 /nfs/dbraw/zinc/21/26/39/222212639.db2.gz KDPVCADIWXCMSM-SFHVURJKSA-N 1 0 362.437 2.009 50 0 FEAARO O=C(C[C@H]1COCC[NH2+]1)N(CCc1ccc(F)cc1)Cc1cccnc1 ZINC000097813717 222214667 /nfs/dbraw/zinc/21/46/67/222214667.db2.gz SVGFSSDGAQPIHP-IBGZPJMESA-N 1 0 357.429 2.171 50 0 FEAARO Cc1ccc(CN2CCN(Cc3cccc4c3OCO4)C[C@H]2CCO)o1 ZINC000104433726 222357650 /nfs/dbraw/zinc/35/76/50/222357650.db2.gz GRLFROPBNZAENA-QGZVFWFLSA-N 1 0 358.438 2.386 50 0 FEAARO COc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)cc1OCC[NH3+] ZINC000426722327 263664276 /nfs/dbraw/zinc/66/42/76/263664276.db2.gz BIQXQSFTBLOWLY-OAHLLOKOSA-N 1 0 369.343 2.461 50 0 FEAARO Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000134499359 326626658 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FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3cnc(C4CC4)nc3C)cc2C1 ZINC000082098804 519855432 /nfs/dbraw/zinc/85/54/32/519855432.db2.gz MBEOADXCOCKQGP-UHFFFAOYSA-N 1 0 368.485 2.405 50 0 FEAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2=O)cc1 ZINC000019848245 520383354 /nfs/dbraw/zinc/38/33/54/520383354.db2.gz CEVDMHRNDCXSHC-RTBURBONSA-N 1 0 368.433 2.431 50 0 FEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000020271885 520959412 /nfs/dbraw/zinc/95/94/12/520959412.db2.gz PMULQBQQKUIPGX-LJQANCHMSA-N 1 0 373.497 2.360 50 0 FEAARO CCN(CC[NH+]1CCCC1)Cc1nc(-c2ccc(C(=O)OC)cc2)no1 ZINC000020455017 521045667 /nfs/dbraw/zinc/04/56/67/521045667.db2.gz TVEUIHOXOQSQAU-UHFFFAOYSA-N 1 0 358.442 2.441 50 0 FEAARO CCN1C[C@]2(CCCN(C(=O)CSCC[NH+]3CCCC3)C2)CCC1=O ZINC000082116059 521730131 /nfs/dbraw/zinc/73/01/31/521730131.db2.gz ANSRDVIIINIGEQ-IBGZPJMESA-N 1 0 367.559 2.067 50 0 FEAARO COc1c(C)cnc(CN(C)C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c1C ZINC000252675538 521809105 /nfs/dbraw/zinc/80/91/05/521809105.db2.gz UHOHABLYDXJGPA-GASCZTMLSA-N 1 0 372.473 2.013 50 0 FEAARO CCc1ccc(C[NH+]2CCC(c3nnc(Cn4cncn4)n3C)CC2)cc1 ZINC000091391491 523923989 /nfs/dbraw/zinc/92/39/89/523923989.db2.gz JOOVDLBCMNCENK-UHFFFAOYSA-N 1 0 365.485 2.397 50 0 FEAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CNC(=O)c1cc(Cl)ccc1Cl)C2 ZINC000091635787 524026723 /nfs/dbraw/zinc/02/67/23/524026723.db2.gz HBTUOYFCKSQSTM-DGCLKSJQSA-N 1 0 370.280 2.276 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2[NH3+])c1 ZINC000091434729 524179500 /nfs/dbraw/zinc/17/95/00/524179500.db2.gz GIRURQXJSBLOTB-SJORKVTESA-N 1 0 364.449 2.457 50 0 FEAARO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(C)C)C2=O ZINC000091526771 524463157 /nfs/dbraw/zinc/46/31/57/524463157.db2.gz DQBCIFHKBOMNBA-NRFANRHFSA-N 1 0 373.497 2.034 50 0 FEAARO COc1cccc(CC(=O)N2CCC(C[N@@H+]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000085468252 525866067 /nfs/dbraw/zinc/86/60/67/525866067.db2.gz CQJLYNWXQLDPKK-KRWDZBQOSA-N 1 0 359.514 2.112 50 0 FEAARO c1ccc(OCCN2CCOCC2)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248028609 526485991 /nfs/dbraw/zinc/48/59/91/526485991.db2.gz PDEFCCFDAGWHNT-FQEVSTJZSA-N 1 0 359.514 2.068 50 0 FEAARO c1ncn(Cc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C2CC2)n1 ZINC000091603656 526617886 /nfs/dbraw/zinc/61/78/86/526617886.db2.gz DKPGDAHESXOZQZ-UHFFFAOYSA-N 1 0 364.457 2.027 50 0 FEAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1cccc(N2Cc3ccccc3C2)c1 ZINC000082109898 526644966 /nfs/dbraw/zinc/64/49/66/526644966.db2.gz CRQDHUURDJKLBC-UHFFFAOYSA-N 1 0 373.460 2.437 50 0 FEAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000020774781 527529157 /nfs/dbraw/zinc/52/91/57/527529157.db2.gz QFVZMJDYMHEMTJ-GOSISDBHSA-N 1 0 356.470 2.405 50 0 FEAARO O[C@@H](COCc1ccc2c(c1)OCO2)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019848489 527658382 /nfs/dbraw/zinc/65/83/82/527658382.db2.gz XZSVDAGMYFUYLW-LJQANCHMSA-N 1 0 370.449 2.115 50 0 FEAARO CCc1nc2c(c(N3CCC(Oc4ccncc4)CC3)n1)CC[NH2+]CC2 ZINC000072448298 536154537 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CCn1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1=O ZINC000215592020 548673460 /nfs/dbraw/zinc/67/34/60/548673460.db2.gz IWOIYVOMSWTOOD-LJQANCHMSA-N 1 0 353.466 2.478 50 0 FEAARO O=C(CN1CCc2ccccc2C1)NCC[C@H]1COc2ccccc2O1 ZINC000215803340 548674884 /nfs/dbraw/zinc/67/48/84/548674884.db2.gz DRXIJDRWNSLLJB-SFHVURJKSA-N 1 0 352.434 2.391 50 0 FEAARO [NH3+]C1CC(c2cc(NCCN3N=C(c4ccccc4)CCC3=O)ncn2)C1 ZINC000220099661 548698691 /nfs/dbraw/zinc/69/86/91/548698691.db2.gz QEXJYUCHFKCTBQ-UHFFFAOYSA-N 1 0 364.453 2.120 50 0 FEAARO CC[NH+]1CCC(N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)CC1 ZINC000223905123 548726234 /nfs/dbraw/zinc/72/62/34/548726234.db2.gz ZETQACDQOPUWQU-UHFFFAOYSA-N 1 0 353.470 2.018 50 0 FEAARO O=S(=O)(c1c[nH]c(C(F)(F)F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000225393029 548733139 /nfs/dbraw/zinc/73/31/39/548733139.db2.gz GOXAXLGKKNYAFT-NSHDSACASA-N 1 0 351.394 2.282 50 0 FEAARO Cc1cc(=O)c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nn1-c1ccccc1 ZINC000229712534 548756504 /nfs/dbraw/zinc/75/65/04/548756504.db2.gz YASCAWYKOWWRIG-WBVHZDCISA-N 1 0 368.481 2.391 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000229687449 548757162 /nfs/dbraw/zinc/75/71/62/548757162.db2.gz FRHCWOVRQSGBTG-JTDSTZFVSA-N 1 0 358.482 2.264 50 0 FEAARO O=C(CCN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230205347 548759050 /nfs/dbraw/zinc/75/90/50/548759050.db2.gz HJNYMOMIINEGJR-LPHOPBHVSA-N 1 0 355.482 2.413 50 0 FEAARO CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237001898 548793880 /nfs/dbraw/zinc/79/38/80/548793880.db2.gz VAJDQRCSUKZWNR-CRAIPNDOSA-N 1 0 356.470 2.488 50 0 FEAARO CN1C(=O)CC[C@@H](C(=O)N2CC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237061689 548797868 /nfs/dbraw/zinc/79/78/68/548797868.db2.gz GCHSXBUHPYRCRJ-SQWLQELKSA-N 1 0 369.387 2.175 50 0 FEAARO COc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc(OC)c1Br ZINC000237246185 548811350 /nfs/dbraw/zinc/81/13/50/548811350.db2.gz WMJIQMWKXREHIX-KOLCDFICSA-N 1 0 357.248 2.418 50 0 FEAARO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000237317269 548817689 /nfs/dbraw/zinc/81/76/89/548817689.db2.gz RBTOSIOBQOTHMB-SNVBAGLBSA-N 1 0 354.369 2.465 50 0 FEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000237326153 548818465 /nfs/dbraw/zinc/81/84/65/548818465.db2.gz XWECMAMLCBWCFA-YPMHNXCESA-N 1 0 361.305 2.338 50 0 FEAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000238005714 548871660 /nfs/dbraw/zinc/87/16/60/548871660.db2.gz MNSIVVUQURZQAZ-GDBMZVCRSA-N 1 0 373.280 2.334 50 0 FEAARO [NH3+]Cc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)c1 ZINC000241776744 548885424 /nfs/dbraw/zinc/88/54/24/548885424.db2.gz RSBPJGCUZZLGPR-UHFFFAOYSA-N 1 0 371.868 2.326 50 0 FEAARO COCc1nc(NCc2cc(-c3ccccn3)no2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244652090 548891718 /nfs/dbraw/zinc/89/17/18/548891718.db2.gz GZSWGXCDGFABPF-JOCQHMNTSA-N 1 0 366.425 2.490 50 0 FEAARO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244724000 548893539 /nfs/dbraw/zinc/89/35/39/548893539.db2.gz MLVWJXAHLYACDJ-AWEZNQCLSA-N 1 0 364.440 2.049 50 0 FEAARO Cc1cccc2[nH]c([C@H]3CCCN(CC(=O)Nc4ccn(C)n4)C3)nc21 ZINC000244874492 548898006 /nfs/dbraw/zinc/89/80/06/548898006.db2.gz XCHMZQQUQRQKSP-AWEZNQCLSA-N 1 0 352.442 2.423 50 0 FEAARO COCC(=O)N1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244899643 548898926 /nfs/dbraw/zinc/89/89/26/548898926.db2.gz ZNIJSMMQPLTTQQ-UHFFFAOYSA-N 1 0 368.433 2.191 50 0 FEAARO O[C@@H](Cn1ccc2ccccc21)CN1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000248071547 549405072 /nfs/dbraw/zinc/40/50/72/549405072.db2.gz YIKVGKGVFYPZHE-RZUBCFFCSA-N 1 0 371.525 2.360 50 0 FEAARO C[C@H](CNC(=O)NCCNC(=O)c1ccccc1F)[N@@H+]1CCCC[C@H]1C ZINC000252458398 549665245 /nfs/dbraw/zinc/66/52/45/549665245.db2.gz FJZPRZFGQWWOKF-HUUCEWRRSA-N 1 0 364.465 2.118 50 0 FEAARO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc(F)ccc1OCC1CC1 ZINC000252510900 549670694 /nfs/dbraw/zinc/67/06/94/549670694.db2.gz ZRCJKNJSABVCDW-UHFFFAOYSA-N 1 0 351.422 2.458 50 0 FEAARO CC(C)CCc1cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)n(C)n1 ZINC000252508340 549670966 /nfs/dbraw/zinc/67/09/66/549670966.db2.gz XKPZSOQGGGTPGD-MRXNPFEDSA-N 1 0 364.538 2.156 50 0 FEAARO CCc1cc(=O)[nH]c(-c2ccc(N3CC[N@H+](CCOC)[C@@H](CC)C3)nc2)n1 ZINC000253544979 549692684 /nfs/dbraw/zinc/69/26/84/549692684.db2.gz WBVHYFMBSSEOMI-KRWDZBQOSA-N 1 0 371.485 2.354 50 0 FEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CN1Cc2ccccc2C1=O ZINC000299754495 553610266 /nfs/dbraw/zinc/61/02/66/553610266.db2.gz YDTPMMLDERXFRH-MJGOQNOKSA-N 1 0 355.482 2.365 50 0 FEAARO Cc1ncc2n1CC[C@@H](C(=O)N1CCC[C@H](c3nnc4ccccn43)C1)C2 ZINC000329563883 553968055 /nfs/dbraw/zinc/96/80/55/553968055.db2.gz JXMFKVBZCLAGHW-CVEARBPZSA-N 1 0 364.453 2.203 50 0 FEAARO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000332110333 554382420 /nfs/dbraw/zinc/38/24/20/554382420.db2.gz IGSYCAYYPJGXGX-OCCSQVGLSA-N 1 0 367.852 2.152 50 0 FEAARO Cn1cc(Br)c(=O)c(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000333173778 554583358 /nfs/dbraw/zinc/58/33/58/554583358.db2.gz QIYNCEYZVVMELB-UHFFFAOYSA-N 1 0 368.275 2.351 50 0 FEAARO CCc1noc(CNC(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000426503417 559736035 /nfs/dbraw/zinc/73/60/35/559736035.db2.gz FAVMQCXNTKMBMU-UHFFFAOYSA-N 1 0 371.485 2.481 50 0 FEAARO Cc1nc(N)ccc1-c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000426501735 559736103 /nfs/dbraw/zinc/73/61/03/559736103.db2.gz HJLNIEJRKMFEAM-SFHVURJKSA-N 1 0 368.481 2.216 50 0 FEAARO CO[C@]12CC[N@H+](CC(=O)N3CCCCC3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426507856 559736194 /nfs/dbraw/zinc/73/61/94/559736194.db2.gz JYGIXSMEMAUUEH-LVCYWYKZSA-N 1 0 373.497 2.485 50 0 FEAARO Cc1nc(C)c(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c(=O)[nH]1 ZINC000426526481 559736801 /nfs/dbraw/zinc/73/68/01/559736801.db2.gz SVWVKOTXRWZWIY-FQEVSTJZSA-N 1 0 358.486 2.066 50 0 FEAARO CCOC(=O)c1cccnc1-c1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000426552099 559737796 /nfs/dbraw/zinc/73/77/96/559737796.db2.gz SIKCXJQXYGBOCG-FUHWJXTLSA-N 1 0 365.433 2.359 50 0 FEAARO CCn1nc(CNC(=O)Cn2nccc2[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000426641571 559739369 /nfs/dbraw/zinc/73/93/69/559739369.db2.gz QJAYQZWAABVNDK-HNNXBMFYSA-N 1 0 366.469 2.036 50 0 FEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NC1CCN(c2ccccc2)CC1 ZINC000426661364 559739712 /nfs/dbraw/zinc/73/97/12/559739712.db2.gz QWNPCRCHYNZISH-QGZVFWFLSA-N 1 0 367.497 2.135 50 0 FEAARO C[C@H](Sc1nnc(C2CC[NH2+]CC2)n1C)C(=O)NCc1ccccc1 ZINC000426662329 559739726 /nfs/dbraw/zinc/73/97/26/559739726.db2.gz SVLRLUKSORPDQX-ZDUSSCGKSA-N 1 0 359.499 2.079 50 0 FEAARO Cc1nnc(CN(C)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)o1 ZINC000426668221 559739927 /nfs/dbraw/zinc/73/99/27/559739927.db2.gz DRKZOUDIMDFGRK-INIZCTEOSA-N 1 0 361.421 2.496 50 0 FEAARO COc1cc(C(=O)N2CC[C@@](O)(c3ccccc3C)C2)ccc1OCC[NH3+] ZINC000426691343 559740402 /nfs/dbraw/zinc/74/04/02/559740402.db2.gz VBHWHWLMQYSICQ-NRFANRHFSA-N 1 0 370.449 2.075 50 0 FEAARO O=C(Cn1ccnn1)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000426700103 559740619 /nfs/dbraw/zinc/74/06/19/559740619.db2.gz VXCNAJDKWBXQRA-FQEVSTJZSA-N 1 0 353.470 2.183 50 0 FEAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O)c1onc2c1CCCC2 ZINC000426712807 559740905 /nfs/dbraw/zinc/74/09/05/559740905.db2.gz TYOCCRDMBPNVAS-MJGOQNOKSA-N 1 0 367.449 2.020 50 0 FEAARO C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659017 562299243 /nfs/dbraw/zinc/29/92/43/562299243.db2.gz NFVJKXBNAVGUBS-WNHJNPCNSA-N 1 0 371.529 2.306 50 0 FEAARO C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659020 562299318 /nfs/dbraw/zinc/29/93/18/562299318.db2.gz NFVJKXBNAVGUBS-YSHGAJCASA-N 1 0 371.529 2.306 50 0 FEAARO C[C@@H](NC(=O)N(C)Cc1nc(-c2ccncc2)no1)C1CC[NH+](C)CC1 ZINC000534651737 562539330 /nfs/dbraw/zinc/53/93/30/562539330.db2.gz WSVYZEGMIKYXSK-CYBMUJFWSA-N 1 0 358.446 2.003 50 0 FEAARO O=C(NCC1(C[NH+]2CCCC2)CC1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000534671785 562539949 /nfs/dbraw/zinc/53/99/49/562539949.db2.gz UWQBBEQCDOZQGM-UHFFFAOYSA-N 1 0 370.497 2.030 50 0 FEAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cnc(-c3ccco3)nc2)CC1 ZINC000215965537 568097892 /nfs/dbraw/zinc/09/78/92/568097892.db2.gz ZXKPLGMVMGPORV-KRWDZBQOSA-N 1 0 353.426 2.416 50 0 FEAARO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)ccc1-n1cncn1 ZINC000583618866 570808505 /nfs/dbraw/zinc/80/85/05/570808505.db2.gz UJFKDBOBXCLESM-SXLOBPIMSA-N 1 0 356.470 2.328 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000045104072 570905793 /nfs/dbraw/zinc/90/57/93/570905793.db2.gz BHOSONQNGKJEEN-AWEZNQCLSA-N 1 0 372.435 2.432 50 0 FEAARO O=C(c1c[nH]c(C2CC[NH2+]CC2)n1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000685942103 571101747 /nfs/dbraw/zinc/10/17/47/571101747.db2.gz LEVSHHAWMZJCNO-INIZCTEOSA-N 1 0 358.417 2.309 50 0 FEAARO CC[C@H](C(=O)NCCC[NH+](CC)CC)n1ncn2c3ccoc3cc2c1=O ZINC000005135717 571112800 /nfs/dbraw/zinc/11/28/00/571112800.db2.gz ICASMTVUDXGJGZ-CQSZACIVSA-N 1 0 373.457 2.041 50 0 FEAARO CC(C)Cn1c(C[NH3+])nnc1SCc1ccc(S(C)(=O)=O)cc1 ZINC000426361303 571215503 /nfs/dbraw/zinc/21/55/03/571215503.db2.gz PSPXHENZBIXGJM-UHFFFAOYSA-N 1 0 354.501 2.089 50 0 FEAARO C[NH2+]Cc1nnc(SCc2cn3cc(C)ccc3n2)n1C[C@H]1CCCO1 ZINC000426361447 571215508 /nfs/dbraw/zinc/21/55/08/571215508.db2.gz WKEXUJXCQZOWBD-OAHLLOKOSA-N 1 0 372.498 2.425 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3nccn3C)cc2)C[C@H]1CCO ZINC000426423167 571223556 /nfs/dbraw/zinc/22/35/56/571223556.db2.gz YEAGJDJXLFGPIB-LJQANCHMSA-N 1 0 370.497 2.252 50 0 FEAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(n2cnnc2)CC1 ZINC000426431730 571224795 /nfs/dbraw/zinc/22/47/95/571224795.db2.gz FJHBSOIENQFUCE-GOSISDBHSA-N 1 0 368.485 2.289 50 0 FEAARO Cc1c([C@@H](C)NC(=O)N(Cc2cccnc2)C2CC[NH+](C)CC2)cnn1C ZINC000426470805 571226824 /nfs/dbraw/zinc/22/68/24/571226824.db2.gz LHDYYXFIDDLMDJ-OAHLLOKOSA-N 1 0 370.501 2.491 50 0 FEAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000169751768 571251192 /nfs/dbraw/zinc/25/11/92/571251192.db2.gz QDDFCWGTJIYNKL-UHFFFAOYSA-N 1 0 357.410 2.415 50 0 FEAARO COc1ccccc1C1CCN(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000584896096 571315334 /nfs/dbraw/zinc/31/53/34/571315334.db2.gz AAPDMKBFVVGIMS-QGZVFWFLSA-N 1 0 374.529 2.220 50 0 FEAARO Cc1ccc(SCCCNC(=O)N2C[C@H](O)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000584896677 571315495 /nfs/dbraw/zinc/31/54/95/571315495.db2.gz MKVNIKXLDQUAMJ-ROUUACIJSA-N 1 0 363.527 2.328 50 0 FEAARO Cc1ccc2[nH]c(CNC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)nc2c1C ZINC000584897403 571315627 /nfs/dbraw/zinc/31/56/27/571315627.db2.gz ZNTBFAZMZMUUGQ-INIZCTEOSA-N 1 0 373.501 2.432 50 0 FEAARO Cc1cccc(Cl)c1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000670435035 571346655 /nfs/dbraw/zinc/34/66/55/571346655.db2.gz PBYPDJRVQVXSGB-CQSZACIVSA-N 1 0 360.907 2.164 50 0 FEAARO Cc1ccc(OCCS(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000670440830 571348609 /nfs/dbraw/zinc/34/86/09/571348609.db2.gz RTHGGWZOLZCPJY-UHFFFAOYSA-N 1 0 354.516 2.367 50 0 FEAARO O=C1CC[C@@H]([N@@H+]2CCC[C@H](O)C2)CCN1CCOc1ccc(F)cc1 ZINC000039371580 670140467 /nfs/dbraw/zinc/14/04/67/670140467.db2.gz CHIZAJRLCVAVBV-SJORKVTESA-N 1 0 350.434 2.042 50 0 FEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652384602 677485696 /nfs/dbraw/zinc/48/56/96/677485696.db2.gz GOMOPULICNMTSF-ARFHVFGLSA-N 1 0 356.463 2.184 50 0 FEAARO C[NH+](C)C[C@]1(CO)CCCN(S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000952966375 681792651 /nfs/dbraw/zinc/79/26/51/681792651.db2.gz SVBDSSMNLVZAKM-QGZVFWFLSA-N 1 0 368.524 2.226 50 0 FEAARO Cc1ccsc1[C@H](CNC(=O)CSc1nnc(N)s1)[NH+](C)C ZINC000952984085 681794967 /nfs/dbraw/zinc/79/49/67/681794967.db2.gz ZNVKMMZCZZPXOJ-VIFPVBQESA-N 1 0 357.530 2.001 50 0 FEAARO Cc1nc(SCC[NH2+]Cc2cc(=O)n3c4c(cccc24)CCC3)n[nH]1 ZINC000952986055 681795803 /nfs/dbraw/zinc/79/58/03/681795803.db2.gz JAANHOYCUMOCPD-UHFFFAOYSA-N 1 0 355.467 2.256 50 0 FEAARO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000888100611 688546336 /nfs/dbraw/zinc/54/63/36/688546336.db2.gz SXJBSEQSYXSKNW-LBPRGKRZSA-N 1 0 367.496 2.414 50 0 FEAARO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000888100610 688546402 /nfs/dbraw/zinc/54/64/02/688546402.db2.gz SXJBSEQSYXSKNW-GFCCVEGCSA-N 1 0 367.496 2.414 50 0 FEAARO O=C(c1ccnn1COc1ccccc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002800626 539353680 /nfs/dbraw/zinc/35/36/80/539353680.db2.gz VVTUESNOQPYIMV-AWEZNQCLSA-N 1 0 360.845 2.493 50 0 FEAARO Cc1ccc(SCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000215358301 222645677 /nfs/dbraw/zinc/64/56/77/222645677.db2.gz CWYKNZYXCOIZST-OAHLLOKOSA-N 1 0 359.499 2.108 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)C1 ZINC000004687390 539389989 /nfs/dbraw/zinc/38/99/89/539389989.db2.gz XPNCNAHMNHJFOY-KRWDZBQOSA-N 1 0 368.481 2.149 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000004895861 539394988 /nfs/dbraw/zinc/39/49/88/539394988.db2.gz NKILRRLWJCEVRG-UHFFFAOYSA-N 1 0 362.437 2.057 50 0 FEAARO C[C@@H]([NH2+]C1CCCCCCC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000006603059 539431403 /nfs/dbraw/zinc/43/14/03/539431403.db2.gz KVQMQEPHXDVAQP-CYBMUJFWSA-N 1 0 353.488 2.364 50 0 FEAARO O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000006909597 539440592 /nfs/dbraw/zinc/44/05/92/539440592.db2.gz XPGJPMXOIOPFEO-QGZVFWFLSA-N 1 0 366.421 2.012 50 0 FEAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)no1 ZINC000010333490 539515815 /nfs/dbraw/zinc/51/58/15/539515815.db2.gz ITPLPNMZNOJNAE-QGZVFWFLSA-N 1 0 366.421 2.494 50 0 FEAARO CCOc1cc(C[NH2+]CCOCCO)cc(Br)c1OCC ZINC000010435723 539517277 /nfs/dbraw/zinc/51/72/77/539517277.db2.gz NZMJHSCVLGTYCO-UHFFFAOYSA-N 1 0 362.264 2.345 50 0 FEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3ccncc3C)C2=O)c1 ZINC000011667248 539532060 /nfs/dbraw/zinc/53/20/60/539532060.db2.gz OSIQDBCIQXNSFP-NRFANRHFSA-N 1 0 353.466 2.342 50 0 FEAARO O=C(NCCn1ccnc1)[C@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC000011784781 539534901 /nfs/dbraw/zinc/53/49/01/539534901.db2.gz RTZQIUCUKUTBHQ-LJQANCHMSA-N 1 0 352.482 2.344 50 0 FEAARO CCCS(=O)(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011820721 539536362 /nfs/dbraw/zinc/53/63/62/539536362.db2.gz XPVUHJHUMLMOOV-SFHVURJKSA-N 1 0 351.516 2.355 50 0 FEAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)nn1C ZINC000011938475 539539416 /nfs/dbraw/zinc/53/94/16/539539416.db2.gz BQNJJFWAJWCJSX-LJQANCHMSA-N 1 0 367.497 2.498 50 0 FEAARO CCN(CC)C(=O)c1cn(C[C@H]2CCC[N@H+](Cc3ccccn3)C2)nn1 ZINC000012217983 539549884 /nfs/dbraw/zinc/54/98/84/539549884.db2.gz GGIMDPBUYFCODC-INIZCTEOSA-N 1 0 356.474 2.067 50 0 FEAARO O=C(CCc1ccco1)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012197263 539549272 /nfs/dbraw/zinc/54/92/72/539549272.db2.gz BSGPSFMZIQNTCE-INIZCTEOSA-N 1 0 373.497 2.194 50 0 FEAARO O=C(N[C@H](c1ccco1)C(F)(F)F)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000012459792 539561315 /nfs/dbraw/zinc/56/13/15/539561315.db2.gz WJKAMTKYEBJXFJ-CQSZACIVSA-N 1 0 371.363 2.390 50 0 FEAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCn1cncn1 ZINC000012584249 539566708 /nfs/dbraw/zinc/56/67/08/539566708.db2.gz MPNPPVITODIPPA-UHFFFAOYSA-N 1 0 373.476 2.220 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022089 539625847 /nfs/dbraw/zinc/62/58/47/539625847.db2.gz DQHVGKHKMKJZNQ-WPMYHTOXSA-N 1 0 373.428 2.001 50 0 FEAARO Cc1cccc2c1NC(=O)[C@]21[NH2+][C@H](C(C)C)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000016022211 539626599 /nfs/dbraw/zinc/62/65/99/539626599.db2.gz DMKXXMBABNHHDX-HFZMZTSTSA-N 1 0 369.465 2.170 50 0 FEAARO COc1ccc(-c2csc3ncnc(N4CC[NH+](CCO)CC4)c23)cc1 ZINC000020319988 539674225 /nfs/dbraw/zinc/67/42/25/539674225.db2.gz UDEDROSKQVBQSF-UHFFFAOYSA-N 1 0 370.478 2.481 50 0 FEAARO COc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)cc1OC ZINC000021650010 539685896 /nfs/dbraw/zinc/68/58/96/539685896.db2.gz UCVJRHPPHWEEPW-UHFFFAOYSA-N 1 0 372.425 2.377 50 0 FEAARO COc1cc(OC)c(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c(OC)c1 ZINC000023372846 539713125 /nfs/dbraw/zinc/71/31/25/539713125.db2.gz LCDIIPIHJLKMSN-INIZCTEOSA-N 1 0 366.502 2.237 50 0 FEAARO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 ZINC000024926859 539744202 /nfs/dbraw/zinc/74/42/02/539744202.db2.gz HUJAJYPKCKXTSZ-KRWDZBQOSA-N 1 0 367.515 2.281 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCC(=O)N3)[NH+](C)C)cc1 ZINC000025174658 539750170 /nfs/dbraw/zinc/75/01/70/539750170.db2.gz KJGFTTFSZYFDMT-QGZVFWFLSA-N 1 0 369.421 2.059 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)c1cccs1 ZINC000025385473 539758739 /nfs/dbraw/zinc/75/87/39/539758739.db2.gz FHGULYXRCQAFIW-AWEZNQCLSA-N 1 0 367.496 2.152 50 0 FEAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000029369984 539852188 /nfs/dbraw/zinc/85/21/88/539852188.db2.gz ATYGTDDSTGSZLQ-HNNXBMFYSA-N 1 0 370.453 2.097 50 0 FEAARO COc1ccccc1CNC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1 ZINC000033069126 539966158 /nfs/dbraw/zinc/96/61/58/539966158.db2.gz DYMVHWUSEFCTGL-UHFFFAOYSA-N 1 0 356.426 2.046 50 0 FEAARO C/C=C\c1ccc(OC[C@H](O)C[NH+](CCOC)CCOC)c(OC)c1 ZINC000033503794 539974832 /nfs/dbraw/zinc/97/48/32/539974832.db2.gz MLOHZAVXDIVOHQ-KEGWNNHHSA-N 1 0 353.459 2.063 50 0 FEAARO CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC000034685142 539977759 /nfs/dbraw/zinc/97/77/59/539977759.db2.gz MPNDOBQFHQYVSW-GOSISDBHSA-N 1 0 371.525 2.162 50 0 FEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cnc2oc(C)c(C)c2c1=O ZINC000035378369 539981760 /nfs/dbraw/zinc/98/17/60/539981760.db2.gz LNAWSYBLQWAOFT-INIZCTEOSA-N 1 0 374.485 2.377 50 0 FEAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COC(C)(C)C ZINC000036097142 539986969 /nfs/dbraw/zinc/98/69/69/539986969.db2.gz LQBZWMWILMEWTB-INIZCTEOSA-N 1 0 355.475 2.328 50 0 FEAARO Cc1ccc(C)c(C[N@@H+](CCN2CCOCC2)C[C@H](O)COC(C)C)c1 ZINC000036103801 539987445 /nfs/dbraw/zinc/98/74/45/539987445.db2.gz DHNPRAKVAFNIJK-NRFANRHFSA-N 1 0 364.530 2.224 50 0 FEAARO C[C@H](C(=O)NCCN1C(=O)CSC1=O)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000036389799 539990485 /nfs/dbraw/zinc/99/04/85/539990485.db2.gz YHOKXMFBWRKOIW-NEPJUHHUSA-N 1 0 367.496 2.085 50 0 FEAARO COC(=O)C1CCN(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000040161475 540008702 /nfs/dbraw/zinc/00/87/02/540008702.db2.gz VYPHSRDKMCSXLS-UHFFFAOYSA-N 1 0 358.482 2.353 50 0 FEAARO Cc1ccccc1C(=O)Nc1nc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)cs1 ZINC000040355440 540009116 /nfs/dbraw/zinc/00/91/16/540009116.db2.gz LMXQICQLHQNWRE-ZDUSSCGKSA-N 1 0 358.467 2.480 50 0 FEAARO C[N@@H+]1CCCN(C(=O)c2csc(NC(=O)c3cccc(F)c3)n2)CC1 ZINC000040355209 540009143 /nfs/dbraw/zinc/00/91/43/540009143.db2.gz PKTONIMGCQFHGE-UHFFFAOYSA-N 1 0 362.430 2.312 50 0 FEAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000237963764 222912331 /nfs/dbraw/zinc/91/23/31/222912331.db2.gz MCOLPLJXPQDHLJ-JTQLQIEISA-N 1 0 350.216 2.266 50 0 FEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCF)CC1 ZINC000299767316 223088166 /nfs/dbraw/zinc/08/81/66/223088166.db2.gz QQLRNGOCWQXHHD-SFHVURJKSA-N 1 0 368.424 2.256 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2Cc3ccccc3[C@@H](O)C2)c1 ZINC000299773202 223090752 /nfs/dbraw/zinc/09/07/52/223090752.db2.gz ABHGDOGGYNRMLY-SFHVURJKSA-N 1 0 356.422 2.112 50 0 FEAARO O=C(c1cccc(-c2cncnc2)c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299800016 223104302 /nfs/dbraw/zinc/10/43/02/223104302.db2.gz ULMGTCXCSQGSRK-HXUWFJFHSA-N 1 0 366.465 2.471 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2nc(C)no2)cc1 ZINC000299798113 223101333 /nfs/dbraw/zinc/10/13/33/223101333.db2.gz PRIJPPLOYSIBOA-HOTGVXAUSA-N 1 0 359.430 2.274 50 0 FEAARO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)NCC[NH+]2CCC(CO)CC2)c1 ZINC000299800015 223102964 /nfs/dbraw/zinc/10/29/64/223102964.db2.gz YRFOFSNJSOIPQB-OAHLLOKOSA-N 1 0 374.485 2.028 50 0 FEAARO Cn1nc(C(=O)N2CCC([NH+]3CCSCC3)CC2)cc1C(F)(F)F ZINC000299798751 223103026 /nfs/dbraw/zinc/10/30/26/223103026.db2.gz SJDDDAMTPVCWLM-UHFFFAOYSA-N 1 0 362.421 2.092 50 0 FEAARO CC[NH+]1CCN(CCNC(=O)Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000065170749 541227932 /nfs/dbraw/zinc/22/79/32/541227932.db2.gz BNISFRIXWBXQKC-UHFFFAOYSA-N 1 0 374.916 2.427 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1cn2ccnc(-c3ccc(OC)cc3)c2n1 ZINC000065274630 541232207 /nfs/dbraw/zinc/23/22/07/541232207.db2.gz DMNCKEMYTOMPOB-UHFFFAOYSA-N 1 0 367.453 2.477 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]Cc3ccco3)C2=O)c1 ZINC000067820972 541517839 /nfs/dbraw/zinc/51/78/39/541517839.db2.gz TYTRCVNRTDNJMO-IBGZPJMESA-N 1 0 362.401 2.071 50 0 FEAARO O=C1N(CC2CC2)CCC[C@]1(O)C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000012301447 219979058 /nfs/dbraw/zinc/97/90/58/219979058.db2.gz ILGFOFMIKXFVTG-QFIPXVFZSA-N 1 0 372.509 2.088 50 0 FEAARO O=C(C[NH2+]C1(CO)CCOCC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000069247000 541670689 /nfs/dbraw/zinc/67/06/89/541670689.db2.gz GXKIMUYTXSYLTQ-HXUWFJFHSA-N 1 0 368.477 2.218 50 0 FEAARO COCCn1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072075024 541783282 /nfs/dbraw/zinc/78/32/82/541783282.db2.gz YIJAKHXUZRVQCZ-UHFFFAOYSA-N 1 0 357.458 2.316 50 0 FEAARO CC(C)[N@@H+]1CCCN(c2nc(-c3cccnc3)nc3c2cnn3C)CC1 ZINC000072124123 541784421 /nfs/dbraw/zinc/78/44/21/541784421.db2.gz SHLAJERELZYSLV-UHFFFAOYSA-N 1 0 351.458 2.346 50 0 FEAARO OC[C@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)Cc1ccsc1 ZINC000072120838 541784480 /nfs/dbraw/zinc/78/44/80/541784480.db2.gz GLHKPXVMMRPFDJ-AWEZNQCLSA-N 1 0 367.478 2.466 50 0 FEAARO Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cnc2ccnn21 ZINC000072154177 541790379 /nfs/dbraw/zinc/79/03/79/541790379.db2.gz HPEWPPXUASWSOR-GOSISDBHSA-N 1 0 363.465 2.475 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)N(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072161742 541792420 /nfs/dbraw/zinc/79/24/20/541792420.db2.gz CDOISHGLEKBLJJ-SFHVURJKSA-N 1 0 370.497 2.110 50 0 FEAARO Cc1nn(CCO)cc1C[NH+]1CCC(c2nc3ccccc3n2C)CC1 ZINC000072161554 541792708 /nfs/dbraw/zinc/79/27/08/541792708.db2.gz JVEYFOTZRKRJGV-UHFFFAOYSA-N 1 0 353.470 2.450 50 0 FEAARO O=C(c1ccc2n[nH]nc2c1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072164321 541793293 /nfs/dbraw/zinc/79/32/93/541793293.db2.gz SZHPNRSRZJIFFC-SFHVURJKSA-N 1 0 361.449 2.273 50 0 FEAARO O=C(c1ccccc1-c1ccccc1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC000072169345 541795094 /nfs/dbraw/zinc/79/50/94/541795094.db2.gz JSTMFKKUWMTHCV-OAQYLSRUSA-N 1 0 352.434 2.185 50 0 FEAARO CCn1ncc(Br)c1C(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000072254187 541796932 /nfs/dbraw/zinc/79/69/32/541796932.db2.gz SFLGRMPZNYFEIJ-UHFFFAOYSA-N 1 0 355.280 2.223 50 0 FEAARO O=C(c1ccccc1-c1nn[nH]n1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072407512 541805846 /nfs/dbraw/zinc/80/58/46/541805846.db2.gz HIQMUZAWXVFRKB-UHFFFAOYSA-N 1 0 368.466 2.276 50 0 FEAARO CCc1ccc(CN(C)[C@H]2C[N@@H+](C3Cc4ccccc4C3)C[C@@H]2O)nc1 ZINC000072409482 541806600 /nfs/dbraw/zinc/80/66/00/541806600.db2.gz COFMTWFLHQIZNA-VXKWHMMOSA-N 1 0 351.494 2.288 50 0 FEAARO CNc1ncc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000072411759 541807656 /nfs/dbraw/zinc/80/76/56/541807656.db2.gz BUSOKMLWUWQZII-UHFFFAOYSA-N 1 0 353.470 2.297 50 0 FEAARO CN(Cc1ccco1)c1ncnc2c1CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000072447200 541815064 /nfs/dbraw/zinc/81/50/64/541815064.db2.gz HWGRCYZCIZXFAW-UHFFFAOYSA-N 1 0 352.442 2.040 50 0 FEAARO CCc1c(C)nn(CC(=O)N[C@H]2CC[C@H]2[NH2+]C2Cc3ccccc3C2)c1C ZINC000072435153 541813629 /nfs/dbraw/zinc/81/36/29/541813629.db2.gz LLDQKVVKIIOGFB-RTWAWAEBSA-N 1 0 366.509 2.467 50 0 FEAARO COc1ccccc1C1CCN(C(=O)CCc2cc3n(n2)CC[NH2+]C3)CC1 ZINC000072470345 541818405 /nfs/dbraw/zinc/81/84/05/541818405.db2.gz KBJUOSGRSIGWCF-UHFFFAOYSA-N 1 0 368.481 2.334 50 0 FEAARO CN(C)Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)n1C ZINC000072473600 541818497 /nfs/dbraw/zinc/81/84/97/541818497.db2.gz HXILXDMLHLPXRL-CQSZACIVSA-N 1 0 371.514 2.261 50 0 FEAARO CCNc1ncc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cn1 ZINC000072470349 541818597 /nfs/dbraw/zinc/81/85/97/541818597.db2.gz XWONIDDITMSAKF-UHFFFAOYSA-N 1 0 365.481 2.224 50 0 FEAARO Nc1nc2c(c(NCc3cccc(OC(F)(F)F)c3)n1)CC[NH2+]CC2 ZINC000072453510 541815695 /nfs/dbraw/zinc/81/56/95/541815695.db2.gz BZBRZNOCFCVQSO-UHFFFAOYSA-N 1 0 353.348 2.258 50 0 FEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072481212 541822164 /nfs/dbraw/zinc/82/21/64/541822164.db2.gz PTNNQMTWAYYUKG-OAQYLSRUSA-N 1 0 357.498 2.370 50 0 FEAARO CC[C@H](c1cn2cccnc2n1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072477584 541820192 /nfs/dbraw/zinc/82/01/92/541820192.db2.gz ZCEVKIIOTNBBQE-QGZVFWFLSA-N 1 0 362.441 2.282 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCCCC3)C2=O)c1 ZINC000012590023 220011265 /nfs/dbraw/zinc/01/12/65/220011265.db2.gz FPXSPYWGYIZRDI-IBGZPJMESA-N 1 0 350.434 2.174 50 0 FEAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)NC(=O)NC1CC1 ZINC000012896683 220040181 /nfs/dbraw/zinc/04/01/81/220040181.db2.gz RVPUOOVEWMJFEW-UHFFFAOYSA-N 1 0 359.426 2.148 50 0 FEAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000013146723 220059393 /nfs/dbraw/zinc/05/93/93/220059393.db2.gz PETTUSLHKJQRDZ-XQQFMLRXSA-N 1 0 359.426 2.391 50 0 FEAARO O=C(Nc1ccc(F)cc1)[C@H]1C[NH2+]C[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000014732292 220130671 /nfs/dbraw/zinc/13/06/71/220130671.db2.gz WTWHOMVGRQKKOC-LSDHHAIUSA-N 1 0 373.403 2.445 50 0 FEAARO CCCC[NH2+][C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000014731214 220131385 /nfs/dbraw/zinc/13/13/85/220131385.db2.gz ILKOZAWWMVGOTE-INIZCTEOSA-N 1 0 362.518 2.259 50 0 FEAARO Cc1cc(=O)c(C(=O)NC2CC2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000014999645 220139618 /nfs/dbraw/zinc/13/96/18/220139618.db2.gz BJDISIYLDUBENJ-UHFFFAOYSA-N 1 0 367.493 2.396 50 0 FEAARO O=C(NCC[NH+]1CCCC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773968 220163940 /nfs/dbraw/zinc/16/39/40/220163940.db2.gz NGPFHNSHLLGEEP-HXUWFJFHSA-N 1 0 363.461 2.470 50 0 FEAARO COc1ccc2c(c1)C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)CO2 ZINC000015786254 220164957 /nfs/dbraw/zinc/16/49/57/220164957.db2.gz BLCUHNMIUONRCQ-SFHVURJKSA-N 1 0 354.450 2.495 50 0 FEAARO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317395 220214143 /nfs/dbraw/zinc/21/41/43/220214143.db2.gz FDTTTZYCGJUCPO-UHFFFAOYSA-N 1 0 360.479 2.306 50 0 FEAARO Cc1nc(C)c(CCC(=O)N2CCC[N@H+](Cc3cccs3)CC2)c(=O)[nH]1 ZINC000073954991 542018602 /nfs/dbraw/zinc/01/86/02/542018602.db2.gz KMHVHHAGHKXWIA-UHFFFAOYSA-N 1 0 374.510 2.115 50 0 FEAARO COC1CC[NH+](CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000075106157 542152600 /nfs/dbraw/zinc/15/26/00/542152600.db2.gz BLUIGRSPHTYCNY-UHFFFAOYSA-N 1 0 359.239 2.429 50 0 FEAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000075541439 542186061 /nfs/dbraw/zinc/18/60/61/542186061.db2.gz ZBWBRGMEEWCVJJ-CQSZACIVSA-N 1 0 363.527 2.109 50 0 FEAARO O=C(c1cc2ccccc2s1)N1CCOC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077343555 542370685 /nfs/dbraw/zinc/37/06/85/542370685.db2.gz NNDQDLHPPXPTRP-LJQANCHMSA-N 1 0 360.479 2.201 50 0 FEAARO O=C(NCCN1CCOCC1)c1ccc2nc(-n3cccc3)sc2c1 ZINC000020650484 220338006 /nfs/dbraw/zinc/33/80/06/220338006.db2.gz HDCWPXVOZFMIFF-UHFFFAOYSA-N 1 0 356.451 2.149 50 0 FEAARO CC(C)=CCC[NH+]1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077439732 542382655 /nfs/dbraw/zinc/38/26/55/542382655.db2.gz BEFZSAYPDLAZRI-UHFFFAOYSA-N 1 0 361.534 2.308 50 0 FEAARO Cn1ccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1=O ZINC000077408429 542379163 /nfs/dbraw/zinc/37/91/63/542379163.db2.gz SHFKCWZUWQMLGP-UHFFFAOYSA-N 1 0 355.482 2.112 50 0 FEAARO CN(C)C(=O)CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077516992 542391643 /nfs/dbraw/zinc/39/16/43/542391643.db2.gz WMSKIJQFPLSXNF-QFIPXVFZSA-N 1 0 371.525 2.412 50 0 FEAARO CCc1ccc2nc(C)cc(C(=O)N3CCN4CC[N@H+](C)C[C@@H]4C3)c2c1 ZINC000077459936 542385286 /nfs/dbraw/zinc/38/52/86/542385286.db2.gz RSZHBVAEDUVZAP-QGZVFWFLSA-N 1 0 352.482 2.177 50 0 FEAARO Cc1nn(-c2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)c2)c(=O)c2ccccc12 ZINC000077471551 542386215 /nfs/dbraw/zinc/38/62/15/542386215.db2.gz NUTGQRTYIIOTEG-OXJNMPFZSA-N 1 0 374.444 2.128 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)CN1CCO ZINC000077503944 542390072 /nfs/dbraw/zinc/39/00/72/542390072.db2.gz AHVQBEWAHOTDOA-IBGZPJMESA-N 1 0 368.424 2.485 50 0 FEAARO Cc1cc(C[NH+]2CCC(c3nnc(CN4CCCCC4)n3C)CC2)on1 ZINC000077535002 542393753 /nfs/dbraw/zinc/39/37/53/542393753.db2.gz LPWNPBHVBJMGMZ-UHFFFAOYSA-N 1 0 358.490 2.477 50 0 FEAARO CC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3c[nH]c(C)n3)CC2)[C@H]1O ZINC000020774748 220341510 /nfs/dbraw/zinc/34/15/10/220341510.db2.gz LCTQQMSOTDHSIB-MOPGFXCFSA-N 1 0 368.481 2.259 50 0 FEAARO CCC(=O)c1ccc(OCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000055166663 221060860 /nfs/dbraw/zinc/06/08/60/221060860.db2.gz SOTJKIQLORFGBU-ROUUACIJSA-N 1 0 360.454 2.028 50 0 FEAARO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)C(=O)NC(=O)NC(C)(C)C ZINC000056207931 221079284 /nfs/dbraw/zinc/07/92/84/221079284.db2.gz XLKKVRZQIZOJPT-CQSZACIVSA-N 1 0 357.458 2.034 50 0 FEAARO C[NH+](C)CCC[NH2+][C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000056964162 221083126 /nfs/dbraw/zinc/08/31/26/221083126.db2.gz BIRUITNWPJGDDI-ZDUSSCGKSA-N 1 0 362.257 2.317 50 0 FEAARO C[C@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[NH+]1CCC(C)CC1 ZINC000058170920 221102889 /nfs/dbraw/zinc/10/28/89/221102889.db2.gz YINUSISLSHQFCK-OAHLLOKOSA-N 1 0 372.444 2.222 50 0 FEAARO O=C(CCNc1ncccn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058244810 221110177 /nfs/dbraw/zinc/11/01/77/221110177.db2.gz SFQWHDIRFYRIPW-SFHVURJKSA-N 1 0 353.470 2.307 50 0 FEAARO CN(C)c1cccc(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC000058264357 221111086 /nfs/dbraw/zinc/11/10/86/221111086.db2.gz PWICZQGPSLBIRQ-UHFFFAOYSA-N 1 0 368.437 2.474 50 0 FEAARO C[NH+](C)Cc1ccccc1CNC(=O)CCn1cnc2ccccc2c1=O ZINC000058435052 221119070 /nfs/dbraw/zinc/11/90/70/221119070.db2.gz KQHGSCWSOXYAKP-UHFFFAOYSA-N 1 0 364.449 2.165 50 0 FEAARO Cn1c(C(=O)NCCC[NH+](C)C)cc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000065211051 221180075 /nfs/dbraw/zinc/18/00/75/221180075.db2.gz SEAXNHFXLHGOJW-UHFFFAOYSA-N 1 0 372.488 2.404 50 0 FEAARO CCC[NH+]1CCN(C(=O)CCc2cc3cc(OC)ccc3[nH]c2=O)CC1 ZINC000065245505 221185416 /nfs/dbraw/zinc/18/54/16/221185416.db2.gz RLEQUXTXYDYSSA-UHFFFAOYSA-N 1 0 357.454 2.436 50 0 FEAARO CCC[NH+]1CCN(Cc2nc3nc(C)cc(N4CCCCCC4)n3n2)CC1 ZINC000065311660 221198228 /nfs/dbraw/zinc/19/82/28/221198228.db2.gz ZLAWHLVKDLPSQL-UHFFFAOYSA-N 1 0 371.533 2.341 50 0 FEAARO CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2n(n1)CCC[NH2+]C2 ZINC000065397560 221210711 /nfs/dbraw/zinc/21/07/11/221210711.db2.gz CCQOIELDTZACLX-MRXNPFEDSA-N 1 0 370.453 2.067 50 0 FEAARO Cc1cc(C[C@@H](C)NC(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)[nH]n1 ZINC000065407096 221214369 /nfs/dbraw/zinc/21/43/69/221214369.db2.gz CYOHOQOKABKLFV-OAHLLOKOSA-N 1 0 356.470 2.275 50 0 FEAARO CCn1nc(C)c(CCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)c1C ZINC000065406987 221215182 /nfs/dbraw/zinc/21/51/82/221215182.db2.gz ACVVYRHUZYEQCA-UHFFFAOYSA-N 1 0 357.483 2.180 50 0 FEAARO C[C@H]([NH2+]CC(=O)NCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000065470711 221223110 /nfs/dbraw/zinc/22/31/10/221223110.db2.gz XMRLQVORKBMGJU-ZDUSSCGKSA-N 1 0 364.442 2.196 50 0 FEAARO COc1ccc(CNC(=O)CC[N@H+]2CC=C(c3cnn(C)c3)CC2)cc1 ZINC000065489599 221224606 /nfs/dbraw/zinc/22/46/06/221224606.db2.gz REBHDKIQQFJQCT-UHFFFAOYSA-N 1 0 354.454 2.224 50 0 FEAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000079073529 542497002 /nfs/dbraw/zinc/49/70/02/542497002.db2.gz PHPHFYDGVWQISE-HNNXBMFYSA-N 1 0 363.458 2.483 50 0 FEAARO O=S(=O)(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc(F)cc1 ZINC000065510847 221228840 /nfs/dbraw/zinc/22/88/40/221228840.db2.gz CDUQBFJIEBMLOE-UHFFFAOYSA-N 1 0 370.490 2.264 50 0 FEAARO O=C(C[NH2+]CCn1ncc2ccccc2c1=O)Nc1ccc(Cl)cc1F ZINC000065504541 221228851 /nfs/dbraw/zinc/22/88/51/221228851.db2.gz QPQDFGTUOLCABZ-UHFFFAOYSA-N 1 0 374.803 2.417 50 0 FEAARO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000065513652 221228864 /nfs/dbraw/zinc/22/88/64/221228864.db2.gz IRWHDSMPCUYEBU-CVEARBPZSA-N 1 0 359.401 2.382 50 0 FEAARO C=Cn1cc(C[NH+]2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cn1 ZINC000067459207 221255627 /nfs/dbraw/zinc/25/56/27/221255627.db2.gz XCUGGZCOYMUASS-UHFFFAOYSA-N 1 0 364.453 2.248 50 0 FEAARO O=c1n(CCCn2cccc2)nc(C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000067713772 221275675 /nfs/dbraw/zinc/27/56/75/221275675.db2.gz YTEYXTQILAELCI-UHFFFAOYSA-N 1 0 351.454 2.393 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3nc(C)cs3)cnn2c1 ZINC000067723316 221275971 /nfs/dbraw/zinc/27/59/71/221275971.db2.gz YULBMGKMPZPJMC-UHFFFAOYSA-N 1 0 358.471 2.266 50 0 FEAARO CC(C)[NH+]1CCC(NC[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000067675481 221268834 /nfs/dbraw/zinc/26/88/34/221268834.db2.gz NDNULVQUNZPLCQ-QFIPXVFZSA-N 1 0 373.541 2.045 50 0 FEAARO O=C(c1cc(COc2c(F)cccc2F)on1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000067689248 221271841 /nfs/dbraw/zinc/27/18/41/221271841.db2.gz RDTDRRSQUUMVPU-LBPRGKRZSA-N 1 0 363.364 2.452 50 0 FEAARO C[C@@H](CNC(=O)c1cc(Cn2cnc3ccccc32)n[nH]1)[NH+]1CCCC1 ZINC000067689124 221272685 /nfs/dbraw/zinc/27/26/85/221272685.db2.gz RIGMOSIKVYSVTO-AWEZNQCLSA-N 1 0 352.442 2.022 50 0 FEAARO CCC[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)n1cccc1 ZINC000067713769 221274744 /nfs/dbraw/zinc/27/47/44/221274744.db2.gz HKZBTNUWXOFDBN-GOSISDBHSA-N 1 0 355.486 2.293 50 0 FEAARO C[C@@H](Sc1ccccn1)C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067817212 221288363 /nfs/dbraw/zinc/28/83/63/221288363.db2.gz PSTAUOVDYTWTQG-MRXNPFEDSA-N 1 0 362.543 2.191 50 0 FEAARO COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067741549 221279407 /nfs/dbraw/zinc/27/94/07/221279407.db2.gz VVLZZBHDJLKLHR-UHFFFAOYSA-N 1 0 351.878 2.201 50 0 FEAARO COc1ccc2cc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784182 221284932 /nfs/dbraw/zinc/28/49/32/221284932.db2.gz UZSULCKVEGBXPP-MRXNPFEDSA-N 1 0 371.481 2.081 50 0 FEAARO CNC(=O)c1ccc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)o1 ZINC000067855643 221295287 /nfs/dbraw/zinc/29/52/87/221295287.db2.gz SDTBQBMVHABSHH-UHFFFAOYSA-N 1 0 363.421 2.354 50 0 FEAARO COc1cccc(CN2CCC[C@@](O)(C[NH+]3CCCCC3)C2=O)c1OC ZINC000067872546 221298806 /nfs/dbraw/zinc/29/88/06/221298806.db2.gz JVMVKWVPQNZUIL-HXUWFJFHSA-N 1 0 362.470 2.043 50 0 FEAARO O=C1N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1Cc1ccccn1 ZINC000067878156 221299466 /nfs/dbraw/zinc/29/94/66/221299466.db2.gz VPJHUSAVNRVZMP-NRFANRHFSA-N 1 0 364.449 2.115 50 0 FEAARO Cc1cc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)[nH]n1 ZINC000067920261 221305429 /nfs/dbraw/zinc/30/54/29/221305429.db2.gz MJDFBSKVDVDNRN-UHFFFAOYSA-N 1 0 352.442 2.031 50 0 FEAARO C[C@@H](c1nc(CC2CC[NH+](C)CC2)no1)n1cnc2ccccc2c1=O ZINC000067946713 221306194 /nfs/dbraw/zinc/30/61/94/221306194.db2.gz KZYTWJANQLSAHN-ZDUSSCGKSA-N 1 0 353.426 2.273 50 0 FEAARO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cncs2)C1=O ZINC000067948113 221307625 /nfs/dbraw/zinc/30/76/25/221307625.db2.gz NLOFXDHGLCCWKX-QGZVFWFLSA-N 1 0 350.488 2.370 50 0 FEAARO Cc1nn(C)c(Oc2ccc(Cl)cc2)c1CN1CCO[C@H](C[NH3+])C1 ZINC000067947696 221308191 /nfs/dbraw/zinc/30/81/91/221308191.db2.gz DSJNXKOXQQYQES-OAHLLOKOSA-N 1 0 350.850 2.334 50 0 FEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1CC1=Cc2cc(Cl)ccc2OC1 ZINC000067966657 221310252 /nfs/dbraw/zinc/31/02/52/221310252.db2.gz ZHZJSOGQDLOWDL-SJORKVTESA-N 1 0 363.889 2.386 50 0 FEAARO CC(C)[C@H]1CN(C(=O)C2=NNC(=O)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071419303 221348185 /nfs/dbraw/zinc/34/81/85/221348185.db2.gz TZKITRKZKZOLEN-GOSISDBHSA-N 1 0 374.460 2.151 50 0 FEAARO O=C(c1cn2cccnc2n1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071614669 221352591 /nfs/dbraw/zinc/35/25/91/221352591.db2.gz QYYMAZLEHJZLDE-DFQSSKMNSA-N 1 0 373.460 2.432 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)c3nc(C)c[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000071746625 221358168 /nfs/dbraw/zinc/35/81/68/221358168.db2.gz HUTJRQRMGHWWLX-IPMKNSEASA-N 1 0 366.465 2.429 50 0 FEAARO O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000071715085 221356010 /nfs/dbraw/zinc/35/60/10/221356010.db2.gz DGUJLYGBWAAMRM-UYAOXDASSA-N 1 0 369.465 2.392 50 0 FEAARO O=C(c1n[nH]c2c1CCC2)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072149218 221427874 /nfs/dbraw/zinc/42/78/74/221427874.db2.gz ILCCONLWPZPOIX-QGZVFWFLSA-N 1 0 350.466 2.214 50 0 FEAARO COc1ccc(C)cc1C(=O)N1CCC([C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000082092205 542683197 /nfs/dbraw/zinc/68/31/97/542683197.db2.gz GWOPELTUMQXWQJ-KRWDZBQOSA-N 1 0 359.514 2.492 50 0 FEAARO CC(C)C[C@H](O)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082108329 542683964 /nfs/dbraw/zinc/68/39/64/542683964.db2.gz CDAPPUABPYHWLD-IBGZPJMESA-N 1 0 362.518 2.445 50 0 FEAARO C[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000085468221 542728283 /nfs/dbraw/zinc/72/82/83/542728283.db2.gz NXFFABQXAAICDN-CQSZACIVSA-N 1 0 351.441 2.453 50 0 FEAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082134977 132196692 /nfs/dbraw/zinc/19/66/92/132196692.db2.gz FCNQSPMFLAGLIT-ZBFHGGJFSA-N 1 0 361.873 2.390 50 0 FEAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc(N)[nH+]1 ZINC000082170989 132198052 /nfs/dbraw/zinc/19/80/52/132198052.db2.gz XZXCIBVAAGYEGH-FQEVSTJZSA-N 1 0 366.469 2.171 50 0 FEAARO Cc1nc(N2CCCCC2)ncc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000091460763 132201678 /nfs/dbraw/zinc/20/16/78/132201678.db2.gz UDVAOUWRTYEYMC-MOPGFXCFSA-N 1 0 365.481 2.342 50 0 FEAARO CN(C)c1ccnc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)n1 ZINC000095498515 132211934 /nfs/dbraw/zinc/21/19/34/132211934.db2.gz FIBFMMDTNSWBSN-MRXNPFEDSA-N 1 0 357.506 2.075 50 0 FEAARO Cc1cc(N2CCN(Cc3ccc4cc(F)ccc4n3)CC2)nc(N)[nH+]1 ZINC000216043486 132270750 /nfs/dbraw/zinc/27/07/50/132270750.db2.gz GNSMHBGIIPYNMD-UHFFFAOYSA-N 1 0 352.417 2.377 50 0 FEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)nn1 ZINC000252507661 132293009 /nfs/dbraw/zinc/29/30/09/132293009.db2.gz WQYLVYDMTGOJCU-UHFFFAOYSA-N 1 0 359.861 2.072 50 0 FEAARO Cc1nc2ccccn2c1C[NH+]1CCC2(CCC(=O)N(CCCO)C2)CC1 ZINC000091434688 542807712 /nfs/dbraw/zinc/80/77/12/542807712.db2.gz ZLUCFDVIRWOVEA-UHFFFAOYSA-N 1 0 370.497 2.230 50 0 FEAARO O=C(c1ccc(N2CCCC2)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091574181 542813247 /nfs/dbraw/zinc/81/32/47/542813247.db2.gz XBNMHRCKKLFJEA-RTBURBONSA-N 1 0 357.498 2.063 50 0 FEAARO Cn1c(Cn2cccn2)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000091596075 542814924 /nfs/dbraw/zinc/81/49/24/542814924.db2.gz VIOMPIHDCHUKGK-UHFFFAOYSA-N 1 0 362.481 2.407 50 0 FEAARO Cc1ccc2c(c1)c(=O)c(C(=O)N1C[C@H]([NH3+])[C@@H](c3ccccc3)C1)cn2C ZINC000091595619 542815312 /nfs/dbraw/zinc/81/53/12/542815312.db2.gz IQYGJANCTHRAIE-MJGOQNOKSA-N 1 0 361.445 2.414 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091650772 542818189 /nfs/dbraw/zinc/81/81/89/542818189.db2.gz PLYSXVGFDSFTOO-KRWDZBQOSA-N 1 0 356.470 2.285 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccnc1)CC2 ZINC000091908540 542832066 /nfs/dbraw/zinc/83/20/66/542832066.db2.gz HQZNQNBSFAYHIY-UHFFFAOYSA-N 1 0 353.470 2.450 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091872939 542830400 /nfs/dbraw/zinc/83/04/00/542830400.db2.gz MTCCOMZZJCBSCV-PIKOESSRSA-N 1 0 362.514 2.153 50 0 FEAARO Cc1cc(Cl)ccc1NC(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000091934751 542833608 /nfs/dbraw/zinc/83/36/08/542833608.db2.gz GJPFKQIWJSDXIF-SFHVURJKSA-N 1 0 364.877 2.467 50 0 FEAARO O=C(c1cnn2ccccc12)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000092028886 542839562 /nfs/dbraw/zinc/83/95/62/542839562.db2.gz VALFOIOPHACXEC-SJLPKXTDSA-N 1 0 361.449 2.466 50 0 FEAARO CCc1ccc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CCOC)CC3)cc1 ZINC000092065243 542841866 /nfs/dbraw/zinc/84/18/66/542841866.db2.gz GCHDQNVWHNCFFG-QFIPXVFZSA-N 1 0 373.541 2.394 50 0 FEAARO Cc1ccc(N2CCC[N@H+](Cc3ccccc3N3CCOCC3)CC2)nn1 ZINC000093272177 542923023 /nfs/dbraw/zinc/92/30/23/542923023.db2.gz XXGWILZHKTXAPH-UHFFFAOYSA-N 1 0 367.497 2.334 50 0 FEAARO COCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055414704 136126735 /nfs/dbraw/zinc/12/67/35/136126735.db2.gz GTEHMTJUAGTDNQ-GOSISDBHSA-N 1 0 365.905 2.490 50 0 FEAARO COc1ccc(CCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)cc1O ZINC000065470474 136136508 /nfs/dbraw/zinc/13/65/08/136136508.db2.gz UCLFVQZZVHDPOC-UHFFFAOYSA-N 1 0 369.465 2.125 50 0 FEAARO COCC[C@H]1CN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CCO1 ZINC000067688556 136137402 /nfs/dbraw/zinc/13/74/02/136137402.db2.gz CTFFQFNJLODXHS-INIZCTEOSA-N 1 0 354.454 2.031 50 0 FEAARO C[NH+](C)CCC(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095372507 542963127 /nfs/dbraw/zinc/96/31/27/542963127.db2.gz UCZXWSZKHMXWFM-CDHQVMDDSA-N 1 0 363.452 2.305 50 0 FEAARO CC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc1 ZINC000071775644 136141091 /nfs/dbraw/zinc/14/10/91/136141091.db2.gz NHTPSDXRKIKARD-KRWDZBQOSA-N 1 0 370.497 2.244 50 0 FEAARO CC[NH+]1CCN(c2nc(CCc3ccccc3)nc3c2cnn3C)CC1 ZINC000072144939 136142762 /nfs/dbraw/zinc/14/27/62/136142762.db2.gz CDKOFRFDYSZPGS-UHFFFAOYSA-N 1 0 350.470 2.290 50 0 FEAARO Cc1ccc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@@H]2CCO)cc1 ZINC000072422301 136146104 /nfs/dbraw/zinc/14/61/04/136146104.db2.gz DTRKBIZOITVKKE-KRWDZBQOSA-N 1 0 351.454 2.340 50 0 FEAARO Cc1noc(C)c1C[N@H+]1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 ZINC000095354707 542958376 /nfs/dbraw/zinc/95/83/76/542958376.db2.gz NFAHOVZFPHYIRO-HNNXBMFYSA-N 1 0 355.446 2.044 50 0 FEAARO CN(C)C(=O)C[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095357766 542959290 /nfs/dbraw/zinc/95/92/90/542959290.db2.gz PGRVYCSPWDASNZ-RMKNXTFCSA-N 1 0 355.482 2.103 50 0 FEAARO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000095365106 542960420 /nfs/dbraw/zinc/96/04/20/542960420.db2.gz RJNJHKFLDLCHPM-UHFFFAOYSA-N 1 0 368.499 2.200 50 0 FEAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)n1C ZINC000095384231 542965843 /nfs/dbraw/zinc/96/58/43/542965843.db2.gz YOJWFUHNBWWJHD-QGZVFWFLSA-N 1 0 366.469 2.454 50 0 FEAARO O=C(c1cn2cccnc2n1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095391957 542968321 /nfs/dbraw/zinc/96/83/21/542968321.db2.gz NFMLEFQHELMCHW-QZTJIDSGSA-N 1 0 361.449 2.466 50 0 FEAARO Cn1c(CO)nnc1C1CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095502869 542975255 /nfs/dbraw/zinc/97/52/55/542975255.db2.gz WMNLAACTGQKLJN-OAHLLOKOSA-N 1 0 356.470 2.128 50 0 FEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095511101 542976754 /nfs/dbraw/zinc/97/67/54/542976754.db2.gz TZYMPCPPWDHTDU-INIZCTEOSA-N 1 0 361.442 2.176 50 0 FEAARO C[NH2+]CCNC(=O)Cc1c(C)n(Cc2ccc(F)cc2)c2c1C(=O)CCC2 ZINC000095531012 542983290 /nfs/dbraw/zinc/98/32/90/542983290.db2.gz PXJMCAFTUBDAOQ-UHFFFAOYSA-N 1 0 371.456 2.381 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)c1 ZINC000096000008 542986882 /nfs/dbraw/zinc/98/68/82/542986882.db2.gz YYGXTYOSCCFMDF-CQSZACIVSA-N 1 0 364.471 2.169 50 0 FEAARO COCCc1nc(-c2ccc3c(c2)OCCO3)n(C2CC[NH+](C)CC2)n1 ZINC000095525197 542981242 /nfs/dbraw/zinc/98/12/42/542981242.db2.gz XBANYZQOUMZCCF-UHFFFAOYSA-N 1 0 358.442 2.172 50 0 FEAARO CN(Cc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095527923 542981922 /nfs/dbraw/zinc/98/19/22/542981922.db2.gz FASAWHCMLCGUQG-HXUWFJFHSA-N 1 0 372.513 2.278 50 0 FEAARO COc1ccc(C(=O)N2C[C@H](C[NH+](C)C)C3(C2)CCOCC3)cc1F ZINC000097097300 543004846 /nfs/dbraw/zinc/00/48/46/543004846.db2.gz XKDPNGMKTLZLFB-HNNXBMFYSA-N 1 0 350.434 2.265 50 0 FEAARO C[C@@H](C(=O)NC1CCCCC1)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131002 543205692 /nfs/dbraw/zinc/20/56/92/543205692.db2.gz VMDFICQAILTBRX-KRWDZBQOSA-N 1 0 361.534 2.117 50 0 FEAARO CS(=O)(=O)c1ccc(OCCCN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247493509 549344014 /nfs/dbraw/zinc/34/40/14/549344014.db2.gz CGVXRQDQSKPFJF-INIZCTEOSA-N 1 0 352.500 2.029 50 0 FEAARO [NH3+]CCn1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)nn1 ZINC000077471916 221634020 /nfs/dbraw/zinc/63/40/20/221634020.db2.gz ANTXXWWYILBQBG-KRWDZBQOSA-N 1 0 355.829 2.410 50 0 FEAARO COc1cc(F)ccc1[C@@H](C(=O)[O-])[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000095392466 221899314 /nfs/dbraw/zinc/89/93/14/221899314.db2.gz KVHQJLHLQYIRGR-SFHVURJKSA-N 1 0 366.433 2.004 50 0 FEAARO CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000096131007 222036438 /nfs/dbraw/zinc/03/64/38/222036438.db2.gz OTEQNYIJRIRNAZ-QGZVFWFLSA-N 1 0 364.511 2.007 50 0 FEAARO CCn1cncc1C[NH+]1CCC(c2nnc(Cn3ccnc3)n2CC)CC1 ZINC000096159695 222059472 /nfs/dbraw/zinc/05/94/72/222059472.db2.gz NUWCSYLLLVXYIY-UHFFFAOYSA-N 1 0 368.489 2.139 50 0 FEAARO CN1CC[NH2+][C@@H](CNC(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000097166258 222166156 /nfs/dbraw/zinc/16/61/56/222166156.db2.gz DFHHANKUUCAPNB-HNNXBMFYSA-N 1 0 363.383 2.404 50 0 FEAARO C[NH+](C)C1(CNC(=O)Nc2ccnn2C[C@H]2CC=CCC2)CCOCC1 ZINC000097370453 222178113 /nfs/dbraw/zinc/17/81/13/222178113.db2.gz SVSWBFSFSHUOPV-INIZCTEOSA-N 1 0 361.490 2.472 50 0 FEAARO COc1[nH]c2cn(C(C)C)c(=O)c-2cc1C[N@H+](C)CCc1c(C)n[nH]c1C ZINC000097600916 222196547 /nfs/dbraw/zinc/19/65/47/222196547.db2.gz JLBUURSXDXIZPA-UHFFFAOYSA-N 1 0 371.485 2.469 50 0 FEAARO O=C(C[C@@H]1NC(=O)c2ccccc21)NC1CC[NH+](C2CCSCC2)CC1 ZINC000097642335 222201601 /nfs/dbraw/zinc/20/16/01/222201601.db2.gz ASZFSKPAPUNAJK-SFHVURJKSA-N 1 0 373.522 2.337 50 0 FEAARO COc1c[nH]c(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1=O ZINC000102533512 222298788 /nfs/dbraw/zinc/29/87/88/222298788.db2.gz KEMPURIPCKRKBV-MRXNPFEDSA-N 1 0 355.438 2.026 50 0 FEAARO C[C@](C[NH3+])(NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C1CC1 ZINC000154887181 544962649 /nfs/dbraw/zinc/96/26/49/544962649.db2.gz IQHRUCIZPPXTPI-GOSISDBHSA-N 1 0 350.484 2.260 50 0 FEAARO CCCC[N@H+](C)CCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005008286 263337523 /nfs/dbraw/zinc/33/75/23/263337523.db2.gz XCWDDOXCNLQWFS-UHFFFAOYSA-N 1 0 361.511 2.479 50 0 FEAARO CC[NH+](CC)CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007718 263337740 /nfs/dbraw/zinc/33/77/40/263337740.db2.gz WNVVXIKPBXMYCI-UHFFFAOYSA-N 1 0 361.511 2.479 50 0 FEAARO Cn1c(CNC(=O)N2CC[NH+](C3CCSCC3)CC2)nc2ccccc21 ZINC000426382794 263570838 /nfs/dbraw/zinc/57/08/38/263570838.db2.gz QOYNFYPKHYGRIJ-UHFFFAOYSA-N 1 0 373.526 2.296 50 0 FEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc(-c2cccc(=O)[nH]2)cc1 ZINC000426387582 263573352 /nfs/dbraw/zinc/57/33/52/263573352.db2.gz BDKCJGWHGOUZTH-OALUTQOASA-N 1 0 367.449 2.437 50 0 FEAARO Cc1ccccc1[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)c1ccncc1 ZINC000426647350 263650574 /nfs/dbraw/zinc/65/05/74/263650574.db2.gz SERZNGZEBOBVGX-IBGZPJMESA-N 1 0 368.481 2.235 50 0 FEAARO CC(C)CN(Cc1cccnc1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426739560 263666506 /nfs/dbraw/zinc/66/65/06/263666506.db2.gz AUQNCUYMEGLOPW-SFHVURJKSA-N 1 0 355.486 2.430 50 0 FEAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c1 ZINC000299755006 534239957 /nfs/dbraw/zinc/23/99/57/534239957.db2.gz BITCBNYHCCFZQP-RBUKOAKNSA-N 1 0 350.426 2.118 50 0 FEAARO CC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082108118 518335846 /nfs/dbraw/zinc/33/58/46/518335846.db2.gz IDBRQLPYPSBNCN-OAQYLSRUSA-N 1 0 358.482 2.476 50 0 FEAARO O=C(NCCOc1ccccc1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000299800242 534392519 /nfs/dbraw/zinc/39/25/19/534392519.db2.gz XIBNRGCJPFELLU-UHFFFAOYSA-N 1 0 350.434 2.212 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)Nc2cccc(-c3cscn3)c2)C1 ZINC000299771220 534425787 /nfs/dbraw/zinc/42/57/87/534425787.db2.gz WWJPXNIATIRRFC-CQSZACIVSA-N 1 0 373.482 2.129 50 0 FEAARO CC[NH+]1CCN([C@H](CNC(=O)c2ccc(OC)cc2)c2cccnc2)CC1 ZINC000020485582 521694386 /nfs/dbraw/zinc/69/43/86/521694386.db2.gz BVBBJNUDGYIQGV-HXUWFJFHSA-N 1 0 368.481 2.199 50 0 FEAARO Cc1ccc(CCC(=O)N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091663331 524291410 /nfs/dbraw/zinc/29/14/10/524291410.db2.gz WVAHZIIAVPZTHF-KOUHRCEDSA-N 1 0 374.525 2.104 50 0 FEAARO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)ccc1F ZINC000091434318 524706320 /nfs/dbraw/zinc/70/63/20/524706320.db2.gz IEDVWOFSTQFTMV-CTNGQTDRSA-N 1 0 363.521 2.345 50 0 FEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCCc3nc4ccccc4s3)nn2)CC1 ZINC000244858473 527414237 /nfs/dbraw/zinc/41/42/37/527414237.db2.gz VLTMHWGIHHRTQR-BETUJISGSA-N 1 0 370.482 2.303 50 0 FEAARO C[NH+](C)CCN1CCN(c2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072437983 535875340 /nfs/dbraw/zinc/87/53/40/535875340.db2.gz WGVXBHSGVWEVLU-UHFFFAOYSA-N 1 0 368.460 2.219 50 0 FEAARO CC[C@@H](CO)[NH+]1CCN(Cc2nc(COc3cc(C)cc(C)c3)no2)CC1 ZINC000157010372 545688481 /nfs/dbraw/zinc/68/84/81/545688481.db2.gz LSXCXAGRLUJJEL-KRWDZBQOSA-N 1 0 374.485 2.154 50 0 FEAARO C[C@H]1C[N@@H+](C2CCN(Cc3nnc(-c4ccccc4)n3C)CC2)CCO1 ZINC000171749757 546223517 /nfs/dbraw/zinc/22/35/17/546223517.db2.gz FOGFAFFCKSGFDS-INIZCTEOSA-N 1 0 355.486 2.167 50 0 FEAARO C[NH+]1CCN(Cc2ccc(C(=O)NCCCc3ccccn3)cc2)CC1 ZINC000179076105 546896510 /nfs/dbraw/zinc/89/65/10/546896510.db2.gz FCXWDMLAPSBHSX-UHFFFAOYSA-N 1 0 352.482 2.192 50 0 FEAARO CCC[NH+]1CCC(CNC(=O)N2CCO[C@H](c3cnn(CC)c3)C2)CC1 ZINC000188121714 548272554 /nfs/dbraw/zinc/27/25/54/548272554.db2.gz ZCYTXGLKVFGFSC-SFHVURJKSA-N 1 0 363.506 2.108 50 0 FEAARO O=C(Cc1nc2cc(Cl)ccc2[nH]1)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000215085400 548667898 /nfs/dbraw/zinc/66/78/98/548667898.db2.gz BTTYAKWIKNHSQF-HOTGVXAUSA-N 1 0 362.861 2.128 50 0 FEAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2nccn2C)CC1 ZINC000215023676 548668545 /nfs/dbraw/zinc/66/85/45/548668545.db2.gz MFEFVSWEOUMMJI-INIZCTEOSA-N 1 0 356.470 2.145 50 0 FEAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3OCCCn3ccnc3)C2)O1 ZINC000215326875 548671828 /nfs/dbraw/zinc/67/18/28/548671828.db2.gz GWDSRMRTYOHNRM-HXUWFJFHSA-N 1 0 370.453 2.427 50 0 FEAARO Cn1c2ccccc2cc(C(=O)N2CCC([NH+]3CCSCC3)CC2)c1=O ZINC000215697268 548673375 /nfs/dbraw/zinc/67/33/75/548673375.db2.gz MAFOJQPVCOVBLS-UHFFFAOYSA-N 1 0 371.506 2.192 50 0 FEAARO c1ccc(OCCN2CCOCC2)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000216080790 548675716 /nfs/dbraw/zinc/67/57/16/548675716.db2.gz PDEFCCFDAGWHNT-HXUWFJFHSA-N 1 0 359.514 2.068 50 0 FEAARO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(Sc4nncn4C)o3)C2)[nH]1 ZINC000216317922 548677062 /nfs/dbraw/zinc/67/70/62/548677062.db2.gz TZGVAINFKUFTSR-LBPRGKRZSA-N 1 0 359.459 2.365 50 0 FEAARO Cc1nn(C)c(C)c1CN(CCO)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000216430355 548677524 /nfs/dbraw/zinc/67/75/24/548677524.db2.gz ORKNUTQOOCZSDG-LJQANCHMSA-N 1 0 370.497 2.139 50 0 FEAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc(-n2cncn2)cc1 ZINC000221410645 548705392 /nfs/dbraw/zinc/70/53/92/548705392.db2.gz UACXCYONCWCOCF-IBGZPJMESA-N 1 0 361.449 2.373 50 0 FEAARO CN(CC(=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12)Cc1cccnc1 ZINC000222370563 548708132 /nfs/dbraw/zinc/70/81/32/548708132.db2.gz AJPDOFUCYRRMHR-MXNKGDRCSA-N 1 0 365.477 2.276 50 0 FEAARO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1 ZINC000225478917 548735660 /nfs/dbraw/zinc/73/56/60/548735660.db2.gz MPICSELXOHPXDT-OAHLLOKOSA-N 1 0 362.879 2.168 50 0 FEAARO COc1cccc(S(=O)(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000225572541 548738164 /nfs/dbraw/zinc/73/81/64/548738164.db2.gz NLVMVZZPUOPZQV-OAHLLOKOSA-N 1 0 370.540 2.191 50 0 FEAARO CC(C)(C)NC(=O)CN1CCCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000229697772 548757128 /nfs/dbraw/zinc/75/71/28/548757128.db2.gz WBQLOTFGUDSQBR-QGZVFWFLSA-N 1 0 367.921 2.296 50 0 FEAARO CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236958288 548790805 /nfs/dbraw/zinc/79/08/05/548790805.db2.gz IFAZTBYRRQOLGY-MRXNPFEDSA-N 1 0 368.485 2.073 50 0 FEAARO CN1C(=O)CC[C@@H](C(=O)N2CC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237055086 548797208 /nfs/dbraw/zinc/79/72/08/548797208.db2.gz GCHSXBUHPYRCRJ-LZWOXQAQSA-N 1 0 369.387 2.175 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1Cl ZINC000237153317 548803622 /nfs/dbraw/zinc/80/36/22/548803622.db2.gz JPSNQHKYXITXAL-OAHLLOKOSA-N 1 0 362.879 2.168 50 0 FEAARO Cc1csc(C2CCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)CC2)n1 ZINC000237940951 548866466 /nfs/dbraw/zinc/86/64/66/548866466.db2.gz XTJOOYBSTNYYFA-UHFFFAOYSA-N 1 0 374.514 2.296 50 0 FEAARO CCc1nn2c(nc(C[N@@H+]3CCCC[C@@H]3CCn3cccn3)cc2=O)s1 ZINC000240203764 548883985 /nfs/dbraw/zinc/88/39/85/548883985.db2.gz JSXAUQPLMIEXHR-OAHLLOKOSA-N 1 0 372.498 2.355 50 0 FEAARO Cc1nccn1CC1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000244723722 548894161 /nfs/dbraw/zinc/89/41/61/548894161.db2.gz MGASKSPFHBOQFT-UHFFFAOYSA-N 1 0 358.461 2.402 50 0 FEAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000244795940 548896099 /nfs/dbraw/zinc/89/60/99/548896099.db2.gz RQCMKUSCIWCRDH-OAHLLOKOSA-N 1 0 358.490 2.389 50 0 FEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000245325267 548901741 /nfs/dbraw/zinc/90/17/41/548901741.db2.gz DQHVGKHKMKJZNQ-HKMBFBJRSA-N 1 0 373.428 2.001 50 0 FEAARO O[C@@H](Cn1ccc2ccccc21)CN1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000248071541 549404664 /nfs/dbraw/zinc/40/46/64/549404664.db2.gz YIKVGKGVFYPZHE-KCZVDYSFSA-N 1 0 371.525 2.360 50 0 FEAARO Cn1cnnc1C1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000252497542 549669694 /nfs/dbraw/zinc/66/96/94/549669694.db2.gz QKBXASIJJHDDKJ-HXUWFJFHSA-N 1 0 369.513 2.286 50 0 FEAARO CC[C@](O)(C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)c1cccc(Cl)c1 ZINC000252548960 549673830 /nfs/dbraw/zinc/67/38/30/549673830.db2.gz QNLYMADZNCCVOZ-FUHWJXTLSA-N 1 0 354.878 2.165 50 0 FEAARO O=C(c1cnccn1)N1CCC([NH2+][C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)CC1 ZINC000252539165 549674078 /nfs/dbraw/zinc/67/40/78/549674078.db2.gz NUURSMFAGNVMLD-QIIPPGSGSA-N 1 0 372.494 2.245 50 0 FEAARO Cc1noc([C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]2CO)n1 ZINC000253399804 549686911 /nfs/dbraw/zinc/68/69/11/549686911.db2.gz DHRLGPMNHRXBII-GXTWGEPZSA-N 1 0 357.332 2.485 50 0 FEAARO CC(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)CCC(=O)NCC1 ZINC000257177886 549712841 /nfs/dbraw/zinc/71/28/41/549712841.db2.gz FMAHXVIYYWFWEZ-IBGZPJMESA-N 1 0 374.529 2.352 50 0 FEAARO Cc1cnc([C@H]2CCCO2)n1CC1CCN(C(=O)c2cncn2C)CC1 ZINC000257189266 549714394 /nfs/dbraw/zinc/71/43/94/549714394.db2.gz IBYQWTOPIPADCW-QGZVFWFLSA-N 1 0 357.458 2.329 50 0 FEAARO CC(C)C(=O)N1CC[C@H](c2nnc3n2CC[N@@H+](Cc2ccccc2)CC3)C1 ZINC000257196250 549716759 /nfs/dbraw/zinc/71/67/59/549716759.db2.gz XWKDADZQOSPXCL-SFHVURJKSA-N 1 0 367.497 2.308 50 0 FEAARO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000262171316 549795006 /nfs/dbraw/zinc/79/50/06/549795006.db2.gz ATFJMLAJHMURQG-DPAMDZCMSA-N 1 0 363.546 2.240 50 0 FEAARO O=C1COc2ccc(C[NH+]3CCC(c4nnc5n4CCCC5)CC3)cc2N1 ZINC000294691665 552927087 /nfs/dbraw/zinc/92/70/87/552927087.db2.gz NOVHBFIVFNXGEG-UHFFFAOYSA-N 1 0 367.453 2.325 50 0 FEAARO O=C(c1nn(CCCc2cccnc2)c2c1C[NH2+]CC2)N1CCCCC1 ZINC000299764874 553612006 /nfs/dbraw/zinc/61/20/06/553612006.db2.gz VAVIUCXYLDQCOG-UHFFFAOYSA-N 1 0 353.470 2.183 50 0 FEAARO CN(Cc1noc(C2CCCC2)n1)C(=O)Cn1ccc([C@H]2CCC[NH2+]C2)n1 ZINC000426489332 559735618 /nfs/dbraw/zinc/73/56/18/559735618.db2.gz HSDMGZDKRXFLHO-HNNXBMFYSA-N 1 0 372.473 2.049 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000426503499 559736059 /nfs/dbraw/zinc/73/60/59/559736059.db2.gz LTXBBSUCYGAMLU-QGZVFWFLSA-N 1 0 356.470 2.037 50 0 FEAARO COc1ccc2[nH]c(CNC(=O)c3ccc(OC)cc3OCC[NH3+])cc2c1 ZINC000426513507 559736374 /nfs/dbraw/zinc/73/63/74/559736374.db2.gz CBVKZJRBIDBGAP-UHFFFAOYSA-N 1 0 369.421 2.453 50 0 FEAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000426581000 559738246 /nfs/dbraw/zinc/73/82/46/559738246.db2.gz QPWBLMDGUZAWCG-CQSZACIVSA-N 1 0 371.412 2.293 50 0 FEAARO O=C(NC1(c2ccccc2)CC1)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000426584933 559738355 /nfs/dbraw/zinc/73/83/55/559738355.db2.gz WBCNDVYZJUDQAI-LJQANCHMSA-N 1 0 354.498 2.097 50 0 FEAARO O=C(Cn1ccccc1=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000426642839 559739491 /nfs/dbraw/zinc/73/94/91/559739491.db2.gz AYVBYYHBSLISFQ-KRWDZBQOSA-N 1 0 359.857 2.455 50 0 FEAARO NC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)s1 ZINC000426668966 559740045 /nfs/dbraw/zinc/74/00/45/559740045.db2.gz HTPVPLKBAMDOEU-OAHLLOKOSA-N 1 0 355.463 2.434 50 0 FEAARO Cc1ccc(C)c(CNC(=O)N2CCN([C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000426690245 559740279 /nfs/dbraw/zinc/74/02/79/559740279.db2.gz HAHNACQLMJYSPA-FQEVSTJZSA-N 1 0 356.514 2.225 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2nc(-c3ccncc3)no2)C1 ZINC000426730371 559741115 /nfs/dbraw/zinc/74/11/15/559741115.db2.gz HHTPHULDUKZLOO-HNNXBMFYSA-N 1 0 372.473 2.251 50 0 FEAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)c1 ZINC000426737314 559741143 /nfs/dbraw/zinc/74/11/43/559741143.db2.gz AVYPOJKAIUUPHE-OAQYLSRUSA-N 1 0 365.481 2.376 50 0 FEAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)n1 ZINC000426739973 559741356 /nfs/dbraw/zinc/74/13/56/559741356.db2.gz XKFDWPZDLCOYFC-SFHVURJKSA-N 1 0 351.454 2.441 50 0 FEAARO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1cn(C[C@H]2CCOC2)nn1 ZINC000529223672 562365490 /nfs/dbraw/zinc/36/54/90/562365490.db2.gz VSEXZIBIJYJJBI-CQSZACIVSA-N 1 0 364.409 2.127 50 0 FEAARO CN(C)c1nsc(-c2cccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)c2)n1 ZINC000534650494 562539276 /nfs/dbraw/zinc/53/92/76/562539276.db2.gz XWZPWLFNCWANIP-HNNXBMFYSA-N 1 0 359.499 2.485 50 0 FEAARO CC[NH+]1CCC(CC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccncc2)CC1 ZINC000215969041 568098044 /nfs/dbraw/zinc/09/80/44/568098044.db2.gz HMBOWPAAJHYCNM-FQEVSTJZSA-N 1 0 353.470 2.401 50 0 FEAARO CN1CCN(C(=O)c2cc(F)ccc2OCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000426477407 570606840 /nfs/dbraw/zinc/60/68/40/570606840.db2.gz OEODCYWSFJWECH-GOSISDBHSA-N 1 0 357.429 2.292 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000002457887 570804733 /nfs/dbraw/zinc/80/47/33/570804733.db2.gz FPMPQHJDKXUDCW-LBPRGKRZSA-N 1 0 354.501 2.092 50 0 FEAARO O=c1cc(C[NH2+]Cc2ccccc2)nc2[nH]c(NCc3ccccc3)nn21 ZINC000101795723 570823722 /nfs/dbraw/zinc/82/37/22/570823722.db2.gz WDTSNMFEPMSZEN-UHFFFAOYSA-N 1 0 360.421 2.320 50 0 FEAARO CCNC(=O)COc1cccc(NC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000047498469 570890336 /nfs/dbraw/zinc/89/03/36/570890336.db2.gz FSPRJYVMLMICPY-UHFFFAOYSA-N 1 0 362.474 2.007 50 0 FEAARO O=C(CNC(=O)c1ccc(Cl)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000046575502 571076419 /nfs/dbraw/zinc/07/64/19/571076419.db2.gz VXXJDEZEFHHRNO-UHFFFAOYSA-N 1 0 371.868 2.244 50 0 FEAARO Cc1nccn1C[C@@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH+](C)CC2)n1 ZINC000685941695 571102033 /nfs/dbraw/zinc/10/20/33/571102033.db2.gz GCFDVQUDFOPZNB-INIZCTEOSA-N 1 0 356.474 2.029 50 0 FEAARO CC[C@@H](C)NC(=O)Cn1c(C)nc2c(c1=O)CCN(Cc1ccccc1)C2 ZINC000035456182 571148145 /nfs/dbraw/zinc/14/81/45/571148145.db2.gz MXEOLFWTFHCHJW-OAHLLOKOSA-N 1 0 368.481 2.025 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000426360102 571215254 /nfs/dbraw/zinc/21/52/54/571215254.db2.gz ROVITAVFDGEKBH-INIZCTEOSA-N 1 0 350.434 2.052 50 0 FEAARO COc1ccccc1CN(C(=O)NCC1([NH+](C)C)CCN(C)CC1)C1CC1 ZINC000426361170 571215457 /nfs/dbraw/zinc/21/54/57/571215457.db2.gz LFAFTEFFUFNJNQ-UHFFFAOYSA-N 1 0 374.529 2.395 50 0 FEAARO CO[C@]12CC[N@H+](Cc3c(C)nc4ccccn43)[C@H]1C[C@@H](OCCO)CC2 ZINC000426382581 571217453 /nfs/dbraw/zinc/21/74/53/571217453.db2.gz AMANOSUFNDCHOB-XKGZKEIXSA-N 1 0 359.470 2.164 50 0 FEAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170048149 571261301 /nfs/dbraw/zinc/26/13/01/571261301.db2.gz MCGSLAKNMNLLTQ-SNVBAGLBSA-N 1 0 354.332 2.485 50 0 FEAARO O=C(NCCCN1CC[NH2+]CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000170047983 571261307 /nfs/dbraw/zinc/26/13/07/571261307.db2.gz NFXHVTXTLNWTCN-UHFFFAOYSA-N 1 0 355.404 2.149 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000670441590 571348980 /nfs/dbraw/zinc/34/89/80/571348980.db2.gz IVTSSZPSDCYQHC-FQEVSTJZSA-N 1 0 358.530 2.429 50 0 FEAARO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](CO)C2)c(C)cc1Cl ZINC000670464614 571358333 /nfs/dbraw/zinc/35/83/33/571358333.db2.gz MKDQIYVPHQQQGN-HNNXBMFYSA-N 1 0 374.934 2.330 50 0 FEAARO NC(=O)CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2CCCC(F)(F)F)s1 ZINC000020255489 670030133 /nfs/dbraw/zinc/03/01/33/670030133.db2.gz BPERORDPHBITJQ-JTQLQIEISA-N 1 0 363.405 2.443 50 0 FEAARO Cc1noc(Cl)c1CCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000193337551 672720867 /nfs/dbraw/zinc/72/08/67/672720867.db2.gz OLLGYKMUGSFBII-UHFFFAOYSA-N 1 0 360.805 2.452 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cc1 ZINC000659850206 678213780 /nfs/dbraw/zinc/21/37/80/678213780.db2.gz WRPJWFVVMFYRQP-MRXNPFEDSA-N 1 0 360.483 2.073 50 0 FEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@@H]1CC(=O)OC12CCCC2 ZINC000952970228 681793192 /nfs/dbraw/zinc/79/31/92/681793192.db2.gz LNLFLQQXGVLJHN-INIZCTEOSA-N 1 0 366.527 2.339 50 0 FEAARO CN1CC[NH+](CC[C@H]2CCCCN2C(=O)CCOc2ccccc2)CC1 ZINC000299760714 529772932 /nfs/dbraw/zinc/77/29/32/529772932.db2.gz JMLNRIOVRNZOAC-LJQANCHMSA-N 1 0 359.514 2.474 50 0 FEAARO COc1c2c(cc3c1[C@H](c1nnnn1C1CCCC1)N(C)CC3)OCO2 ZINC000002130559 539344960 /nfs/dbraw/zinc/34/49/60/539344960.db2.gz HVLXXZUBUPSSFW-OAHLLOKOSA-N 1 0 357.414 2.103 50 0 biogenic FEAARO C[NH+](C)CCNC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002457601 539348846 /nfs/dbraw/zinc/34/88/46/539348846.db2.gz YMCKWFLGPKZIRM-CYBMUJFWSA-N 1 0 353.728 2.188 50 0 FEAARO Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NCC[NH+](C)C)cc1 ZINC000002678698 539350867 /nfs/dbraw/zinc/35/08/67/539350867.db2.gz KJRCIJFHPHNTER-XDJHFCHBSA-N 1 0 351.450 2.444 50 0 FEAARO Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3COC4(C3)CC[NH2+]CC4)cc2)n1 ZINC000215093334 222640350 /nfs/dbraw/zinc/64/03/50/222640350.db2.gz PJKJIEBUNQUMSC-IBGZPJMESA-N 1 0 368.481 2.189 50 0 FEAARO CN(CCSc1ccccc1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000215496214 222648139 /nfs/dbraw/zinc/64/81/39/222648139.db2.gz KJAUDLGGUFSONE-OAHLLOKOSA-N 1 0 359.499 2.142 50 0 FEAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000004152872 539377385 /nfs/dbraw/zinc/37/73/85/539377385.db2.gz XFHDBEBKWIZSMR-AWEZNQCLSA-N 1 0 364.442 2.308 50 0 FEAARO C[N@H+](C[C@@H](O)c1ccc(F)cn1)C1CCN(CCc2ccccn2)CC1 ZINC000328600340 529944245 /nfs/dbraw/zinc/94/42/45/529944245.db2.gz XCUSUEPGMURPJJ-HXUWFJFHSA-N 1 0 358.461 2.288 50 0 FEAARO CC[NH+](CC)CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000004687698 539390145 /nfs/dbraw/zinc/39/01/45/539390145.db2.gz RTMVJPLJZAYBAH-UHFFFAOYSA-N 1 0 364.877 2.125 50 0 FEAARO C[NH+](C)CCNC(=O)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O ZINC000005207902 539405537 /nfs/dbraw/zinc/40/55/37/539405537.db2.gz VVNTVNOXFHWOOH-UHFFFAOYSA-N 1 0 368.264 2.495 50 0 FEAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[NH+]1CCCC1)CCO2 ZINC000006798176 539437248 /nfs/dbraw/zinc/43/72/48/539437248.db2.gz KVAUVAVQWXRKMI-UHFFFAOYSA-N 1 0 359.470 2.103 50 0 FEAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000008193207 539480412 /nfs/dbraw/zinc/48/04/12/539480412.db2.gz DAZKNGWCVJHDNN-OAHLLOKOSA-N 1 0 358.486 2.201 50 0 FEAARO Cc1ccccc1OCC[N@@H+](C)CCC(=O)Nc1sccc1C(N)=O ZINC000008727400 539490382 /nfs/dbraw/zinc/49/03/82/539490382.db2.gz GDWTUCIYZHOZBC-UHFFFAOYSA-N 1 0 361.467 2.495 50 0 FEAARO C[C@H]1CCC[N@H+](CCCNC(=O)CCN2C(=O)COc3ccccc32)C1 ZINC000008663728 539489739 /nfs/dbraw/zinc/48/97/39/539489739.db2.gz ZMCYUDAAIFBKQJ-INIZCTEOSA-N 1 0 359.470 2.040 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000009329273 539501127 /nfs/dbraw/zinc/50/11/27/539501127.db2.gz GBIJOWBKNCTYBN-AEFFLSMTSA-N 1 0 373.497 2.427 50 0 FEAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000009595486 539505278 /nfs/dbraw/zinc/50/52/78/539505278.db2.gz RJINPVDNXGHIQD-HOTGVXAUSA-N 1 0 358.486 2.201 50 0 FEAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)CCSC)CC1 ZINC000011661647 539532043 /nfs/dbraw/zinc/53/20/43/539532043.db2.gz HICBNDWLRTYOAX-KRWDZBQOSA-N 1 0 358.548 2.106 50 0 FEAARO O=C(CSc1ncccn1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011843172 539536394 /nfs/dbraw/zinc/53/63/94/539536394.db2.gz HUAZFCRUFASGAU-QGZVFWFLSA-N 1 0 368.506 2.317 50 0 FEAARO C/C=C(\C)C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000012021715 539540905 /nfs/dbraw/zinc/54/09/05/539540905.db2.gz HOEPEEYTKCCCJP-CRKCGEKBSA-N 1 0 371.460 2.214 50 0 FEAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000012030354 539540987 /nfs/dbraw/zinc/54/09/87/539540987.db2.gz LHDDQZSHGPYYFZ-AWEZNQCLSA-N 1 0 359.449 2.309 50 0 FEAARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1OC ZINC000012196214 539549604 /nfs/dbraw/zinc/54/96/04/539549604.db2.gz BSWJKMUHXHTUHR-HNNXBMFYSA-N 1 0 372.421 2.465 50 0 FEAARO CCn1ccnc1CNCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012317349 539553902 /nfs/dbraw/zinc/55/39/02/539553902.db2.gz VLZVQXMWOZXLOQ-IBGZPJMESA-N 1 0 372.513 2.418 50 0 FEAARO COCC[NH+]1CCC(CN(Cc2cc(C)n[nH]2)Cc2ccncc2)CC1 ZINC000012316516 539554498 /nfs/dbraw/zinc/55/44/98/539554498.db2.gz SLNBOPAWAAVYDQ-UHFFFAOYSA-N 1 0 357.502 2.474 50 0 FEAARO CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000012430216 539559077 /nfs/dbraw/zinc/55/90/77/539559077.db2.gz AEYOYGIULHZNPY-SFHVURJKSA-N 1 0 361.530 2.358 50 0 FEAARO CCOc1cccc(C[NH2+]Cc2cccnc2N2CCN(C(C)=O)CC2)c1 ZINC000012468603 539561009 /nfs/dbraw/zinc/56/10/09/539561009.db2.gz VOATYLFUUKASRA-UHFFFAOYSA-N 1 0 368.481 2.439 50 0 FEAARO [NH2+]=C(NO)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000014808498 539605614 /nfs/dbraw/zinc/60/56/14/539605614.db2.gz KWEUFFZCMQSANZ-CQSZACIVSA-N 1 0 367.814 2.252 50 0 FEAARO COCC[N@H+](Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1)C1CCN(C)CC1 ZINC000023544130 539715512 /nfs/dbraw/zinc/71/55/12/539715512.db2.gz QHUKADBRTJATJG-UHFFFAOYSA-N 1 0 370.497 2.288 50 0 FEAARO Cc1sc2nc(-c3cccnc3)nc(N3CC[NH+](CCO)CC3)c2c1C ZINC000023883311 539721649 /nfs/dbraw/zinc/72/16/49/539721649.db2.gz PUJFFEXHJYBMDD-UHFFFAOYSA-N 1 0 369.494 2.484 50 0 FEAARO C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1=O ZINC000025331732 539756056 /nfs/dbraw/zinc/75/60/56/539756056.db2.gz HNQCHDPVVMODHL-CJNGLKHVSA-N 1 0 373.478 2.281 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccsc1 ZINC000025332401 539756284 /nfs/dbraw/zinc/75/62/84/539756284.db2.gz ACUCSYPMMGWSOI-GOEBONIOSA-N 1 0 359.499 2.174 50 0 FEAARO CC(C)c1ccccc1OC[C@H](O)CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000025764478 539768570 /nfs/dbraw/zinc/76/85/70/539768570.db2.gz NIAPNSAWYBGWMH-MOPGFXCFSA-N 1 0 362.514 2.346 50 0 FEAARO O=C(c1cc(Cl)ccc1O)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000223703572 222790331 /nfs/dbraw/zinc/79/03/31/222790331.db2.gz HIEPTMDTEZSKOP-UHFFFAOYSA-N 1 0 352.862 2.356 50 0 FEAARO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC(=O)NC(C)(C)C ZINC000028889980 539839316 /nfs/dbraw/zinc/83/93/16/539839316.db2.gz FBBANGBXLHOXLW-AWEZNQCLSA-N 1 0 357.458 2.034 50 0 FEAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccco3)CC2)[nH+]1 ZINC000032498025 539942150 /nfs/dbraw/zinc/94/21/50/539942150.db2.gz PTQOUDKFCLGEBE-UHFFFAOYSA-N 1 0 355.442 2.331 50 0 FEAARO Cc1nc2ccccc2n(CCC(=O)NCCC[N@H+]2CCC[C@H](C)C2)c1=O ZINC000033005268 539963243 /nfs/dbraw/zinc/96/32/43/539963243.db2.gz NDEZMJDBHWGNJQ-INIZCTEOSA-N 1 0 370.497 2.333 50 0 FEAARO C[C@H](CCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1)[NH+]1CCCC1 ZINC000033061280 539966060 /nfs/dbraw/zinc/96/60/60/539966060.db2.gz BKYXLCVDPGINKJ-CYBMUJFWSA-N 1 0 373.482 2.395 50 0 FEAARO C[NH2+]C1(c2nnnn2-c2ccsc2C(=O)OC)C2CC3CC(C2)CC1C3 ZINC000035170804 539978868 /nfs/dbraw/zinc/97/88/68/539978868.db2.gz CYYBDATXXBLDGO-UHFFFAOYSA-N 1 0 373.482 2.381 50 0 FEAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036095708 539987223 /nfs/dbraw/zinc/98/72/23/539987223.db2.gz POZYDVQQEPENTB-MRXNPFEDSA-N 1 0 355.475 2.328 50 0 FEAARO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c12 ZINC000036616167 539991321 /nfs/dbraw/zinc/99/13/21/539991321.db2.gz XBMRLBGQIULMKX-AWEZNQCLSA-N 1 0 365.437 2.457 50 0 FEAARO C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000037170967 539995917 /nfs/dbraw/zinc/99/59/17/539995917.db2.gz YWPRDCZPCGPPJL-MGPUTAFESA-N 1 0 352.434 2.389 50 0 FEAARO C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000037170965 539996273 /nfs/dbraw/zinc/99/62/73/539996273.db2.gz YWPRDCZPCGPPJL-FOIQADDNSA-N 1 0 352.434 2.389 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000040073664 540005174 /nfs/dbraw/zinc/00/51/74/540005174.db2.gz IOBVDEHCOMJVHP-SJORKVTESA-N 1 0 361.486 2.427 50 0 FEAARO CC[NH+](CC)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000003005994 219481601 /nfs/dbraw/zinc/48/16/01/219481601.db2.gz ZHNCYTQMHDXREW-UHFFFAOYSA-N 1 0 362.861 2.022 50 0 FEAARO CN(Cc1[nH]nc2c1CCCC2)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000045980472 540236701 /nfs/dbraw/zinc/23/67/01/540236701.db2.gz BHMVEPXSSOCTOC-UHFFFAOYSA-N 1 0 352.482 2.346 50 0 FEAARO C[NH+](C)C[C@@H]1COCCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000299763179 223085323 /nfs/dbraw/zinc/08/53/23/223085323.db2.gz YYOKFIPPJMOKFR-AWEZNQCLSA-N 1 0 370.453 2.264 50 0 FEAARO O=C(c1cn2cccnc2n1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000299774852 223090580 /nfs/dbraw/zinc/09/05/80/223090580.db2.gz IWNYPMMFMZDSMS-UHFFFAOYSA-N 1 0 361.449 2.045 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cn4cc(C)ccc4n3)[C@H]1C[C@H](OCCO)CC2 ZINC000299802550 223105903 /nfs/dbraw/zinc/10/59/03/223105903.db2.gz ZGNXASAQPREBMC-WSTZPKSXSA-N 1 0 359.470 2.164 50 0 FEAARO Cc1cc(NC(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)cc1F ZINC000299802716 223106137 /nfs/dbraw/zinc/10/61/37/223106137.db2.gz WBOXCANKODEHEP-LLVKDONJSA-N 1 0 356.829 2.106 50 0 FEAARO Cc1nc2ccccn2c1CN(C)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299795413 223100249 /nfs/dbraw/zinc/10/02/49/223100249.db2.gz MBNAMFYPZYFURZ-UHFFFAOYSA-N 1 0 370.497 2.492 50 0 FEAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000066700080 541362469 /nfs/dbraw/zinc/36/24/69/541362469.db2.gz REHOPXHOZNSWQF-LBPRGKRZSA-N 1 0 350.492 2.309 50 0 FEAARO O=C(c1ccc2cccnc2c1O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072129131 541785369 /nfs/dbraw/zinc/78/53/69/541785369.db2.gz IKGCTKLQVOBBFY-MRXNPFEDSA-N 1 0 355.438 2.002 50 0 FEAARO COc1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)ccn1 ZINC000072143981 541787478 /nfs/dbraw/zinc/78/74/78/541787478.db2.gz UQPGACIXMBZZRQ-IBGZPJMESA-N 1 0 351.450 2.406 50 0 FEAARO CC(C)C[C@@H](Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2)c1ncnn1C ZINC000072143843 541787542 /nfs/dbraw/zinc/78/75/42/541787542.db2.gz LSHGYDQQZDGGQE-OAHLLOKOSA-N 1 0 364.457 2.470 50 0 FEAARO Cc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000072145374 541788462 /nfs/dbraw/zinc/78/84/62/541788462.db2.gz XVYCNMXQBMPXQH-HXUWFJFHSA-N 1 0 359.514 2.188 50 0 FEAARO O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072147331 541789069 /nfs/dbraw/zinc/78/90/69/541789069.db2.gz DGYSFWDDVRNYLO-UHFFFAOYSA-N 1 0 372.444 2.277 50 0 FEAARO CCN(CC[NH+]1CCCC1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000072150015 541789920 /nfs/dbraw/zinc/78/99/20/541789920.db2.gz UTSUTAUNOFZTKC-UHFFFAOYSA-N 1 0 363.412 2.163 50 0 FEAARO Cc1ncc2c(c1CNC(=O)[C@H]1Cc3cc(Cl)ccc3N1)CC[NH2+]C2 ZINC000072154567 541790785 /nfs/dbraw/zinc/79/07/85/541790785.db2.gz DTCNKTBDJUKDAG-GOSISDBHSA-N 1 0 356.857 2.342 50 0 FEAARO Cc1ccc2[nH]c(CCC(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)nc2c1C ZINC000072153035 541790817 /nfs/dbraw/zinc/79/08/17/541790817.db2.gz IMJRCOFDOSMSJE-HXUWFJFHSA-N 1 0 358.486 2.027 50 0 FEAARO Cc1ccc(OCc2occc2C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000072157496 541791324 /nfs/dbraw/zinc/79/13/24/541791324.db2.gz QEPGUXBAGHCQBY-FQEVSTJZSA-N 1 0 358.438 2.306 50 0 FEAARO Cc1ncc2c(c1CNC(=O)c1c[nH]nc1-c1cccc(F)c1)CC[NH2+]C2 ZINC000072161262 541792205 /nfs/dbraw/zinc/79/22/05/541792205.db2.gz ZNMLLTVBDIGGSD-UHFFFAOYSA-N 1 0 365.412 2.495 50 0 FEAARO CN(CC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccc3cccnc3c2O)C1 ZINC000072164759 541792976 /nfs/dbraw/zinc/79/29/76/541792976.db2.gz MKVFJTCJKCSRTH-INIZCTEOSA-N 1 0 356.470 2.038 50 0 FEAARO O=C(Cc1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072165990 541793841 /nfs/dbraw/zinc/79/38/41/541793841.db2.gz ROEXNCCWINVGPI-HNNXBMFYSA-N 1 0 354.853 2.469 50 0 FEAARO O=C(CCN1CCCCC1=O)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072170241 541794795 /nfs/dbraw/zinc/79/47/95/541794795.db2.gz ODEDOJZOQUAKEN-HXUWFJFHSA-N 1 0 369.509 2.091 50 0 FEAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)c3ccc(Cl)cn3)CC2)[C@H]1O ZINC000072171239 541795728 /nfs/dbraw/zinc/79/57/28/541795728.db2.gz GDCYTSNQOWREIO-SJORKVTESA-N 1 0 357.841 2.283 50 0 FEAARO Cc1nn2cc(CNc3nc(C4CC4)nc4c3CC[NH2+]CC4)nc2s1 ZINC000072411184 541807270 /nfs/dbraw/zinc/80/72/70/541807270.db2.gz IONQGHYDGVFLPX-UHFFFAOYSA-N 1 0 355.471 2.067 50 0 FEAARO CC(C)Cc1noc([C@H](C)n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072423225 541810267 /nfs/dbraw/zinc/81/02/67/541810267.db2.gz AIBDIELBZFFKEX-ZDUSSCGKSA-N 1 0 355.446 2.431 50 0 FEAARO c1cn(Cc2n[nH]c3c2CCCCC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072425096 541810656 /nfs/dbraw/zinc/81/06/56/541810656.db2.gz WJKSMPYXQQKWKR-UHFFFAOYSA-N 1 0 351.458 2.280 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072428443 541812141 /nfs/dbraw/zinc/81/21/41/541812141.db2.gz QOOQMUVDXMJFPG-OAHLLOKOSA-N 1 0 361.515 2.088 50 0 FEAARO [NH3+][C@H](Cc1ccco1)C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000072428361 541812149 /nfs/dbraw/zinc/81/21/49/541812149.db2.gz GHHCAWMLKPZQCJ-CQSZACIVSA-N 1 0 356.451 2.108 50 0 FEAARO CC(C)C[N@H+](C)Cc1cc2n(n1)CCN(C(=O)c1cnn3c1CCCC3)C2 ZINC000072432304 541812762 /nfs/dbraw/zinc/81/27/62/541812762.db2.gz WDNJNLQLUFNGDH-UHFFFAOYSA-N 1 0 370.501 2.160 50 0 FEAARO O=C1OC2(CN1CCOc1ccccc1)CC[NH+](C[C@H]1CCOC1)CC2 ZINC000072432637 541813575 /nfs/dbraw/zinc/81/35/75/541813575.db2.gz MSXYQRDXKDUNGJ-QGZVFWFLSA-N 1 0 360.454 2.389 50 0 FEAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC([NH+]4CCCCC4)C3)c12 ZINC000072440419 541814733 /nfs/dbraw/zinc/81/47/33/541814733.db2.gz CUGXYBSNJICWRI-UHFFFAOYSA-N 1 0 363.469 2.408 50 0 FEAARO c1cn(Cc2ccc3c(c2)OCCCO3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072440882 541814755 /nfs/dbraw/zinc/81/47/55/541814755.db2.gz UHGLLXZENJWTPZ-UHFFFAOYSA-N 1 0 365.437 2.450 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072438837 541814949 /nfs/dbraw/zinc/81/49/49/541814949.db2.gz KRMITYLSLRJIEQ-QGZVFWFLSA-N 1 0 373.476 2.166 50 0 FEAARO CCN1C[C@@]2(CCC[N@H+](CCC(=O)NCc3cccs3)C2)CCC1=O ZINC000072467987 541817634 /nfs/dbraw/zinc/81/76/34/541817634.db2.gz IWFKXGHRXVBUJJ-IBGZPJMESA-N 1 0 363.527 2.479 50 0 FEAARO O=C(NCc1nccs1)c1nn(CC2CC2)c2c1C[N@H+](CC1CC1)CC2 ZINC000014740429 220131152 /nfs/dbraw/zinc/13/11/52/220131152.db2.gz HZNQTFNYFGRADN-UHFFFAOYSA-N 1 0 371.510 2.448 50 0 FEAARO CNC(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]C(C)(C)CO)CC2 ZINC000014748784 220131850 /nfs/dbraw/zinc/13/18/50/220131850.db2.gz ZQQHKCHZRPCKDA-OAHLLOKOSA-N 1 0 362.518 2.041 50 0 FEAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2C)C1 ZINC000014752545 220132712 /nfs/dbraw/zinc/13/27/12/220132712.db2.gz XDFZASHPAHWKDY-CQSZACIVSA-N 1 0 350.532 2.198 50 0 FEAARO CCc1csc(CNC(=O)c2ccc(N3CC[C@@H]([NH+](C)C)C3)nc2)n1 ZINC000015071574 220146412 /nfs/dbraw/zinc/14/64/12/220146412.db2.gz PYGNQYWYMWBKOK-OAHLLOKOSA-N 1 0 359.499 2.171 50 0 FEAARO CN(CCC[NH+](C)C)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000015076569 220147264 /nfs/dbraw/zinc/14/72/64/220147264.db2.gz RTXWFGZQIWDIFV-HNNXBMFYSA-N 1 0 373.950 2.377 50 0 FEAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1cccnc1 ZINC000077104241 542345232 /nfs/dbraw/zinc/34/52/32/542345232.db2.gz YVMPYCDGRIADPT-UHFFFAOYSA-N 1 0 358.467 2.077 50 0 FEAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Cn2cccnc2=O)cc1 ZINC000077287786 542362517 /nfs/dbraw/zinc/36/25/17/542362517.db2.gz MHRVXHLEYHAVMW-SFHVURJKSA-N 1 0 354.454 2.059 50 0 FEAARO Cc1ccc(-c2cc(CN3CCOC[C@@](O)(C[NH+]4CCCC4)C3)on2)cc1 ZINC000077338963 542369435 /nfs/dbraw/zinc/36/94/35/542369435.db2.gz SFQNGQHQTDDYOA-OAQYLSRUSA-N 1 0 371.481 2.309 50 0 FEAARO OC[C@H]1COCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000077425647 542380887 /nfs/dbraw/zinc/38/08/87/542380887.db2.gz AFZYAFOZDCJJLY-KRWDZBQOSA-N 1 0 364.449 2.375 50 0 FEAARO O=C(CCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1)c1ccccc1 ZINC000077518447 542391430 /nfs/dbraw/zinc/39/14/30/542391430.db2.gz UFKMWQSUFXZDQJ-OAQYLSRUSA-N 1 0 358.482 2.346 50 0 FEAARO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)CC1 ZINC000077485806 542387546 /nfs/dbraw/zinc/38/75/46/542387546.db2.gz VRPSGTRBHRUOOO-QGZVFWFLSA-N 1 0 363.477 2.081 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cccc(OC(F)F)c3)C2)CN1CCO ZINC000077503946 542389642 /nfs/dbraw/zinc/38/96/42/542389642.db2.gz AHVQBEWAHOTDOA-LJQANCHMSA-N 1 0 368.424 2.485 50 0 FEAARO COc1cc(F)c(CN2CC[C@@](O)(C[NH+]3CCCCC3)C2)cc1OC ZINC000077506003 542390670 /nfs/dbraw/zinc/39/06/70/542390670.db2.gz CWJDFPJGADGCEW-LJQANCHMSA-N 1 0 352.450 2.266 50 0 FEAARO Cc1ccc(C(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)cc1C ZINC000021153011 220352803 /nfs/dbraw/zinc/35/28/03/220352803.db2.gz AHOQOQXGJYZEOV-HXUWFJFHSA-N 1 0 354.498 2.360 50 0 FEAARO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccc(Br)cc1 ZINC000022010601 220374362 /nfs/dbraw/zinc/37/43/62/220374362.db2.gz SNYDCCWFQZWSGP-JTQLQIEISA-N 1 0 354.248 2.258 50 0 FEAARO Cc1ccc(-c2cc(C(=O)NC[C@H](C)N3CC[NH+](C)CC3)no2)cc1C ZINC000032594164 220666329 /nfs/dbraw/zinc/66/63/29/220666329.db2.gz RXNOTEPQXZMSEW-INIZCTEOSA-N 1 0 356.470 2.324 50 0 FEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC000048332407 221007752 /nfs/dbraw/zinc/00/77/52/221007752.db2.gz OBYBQSSCYQJHTH-HZPDHXFCSA-N 1 0 368.481 2.188 50 0 FEAARO O=C(CNC(=O)c1ccc2ccccc2c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000049992554 221029470 /nfs/dbraw/zinc/02/94/70/221029470.db2.gz SNXZPASXWVFKMK-LJQANCHMSA-N 1 0 351.450 2.266 50 0 FEAARO C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC(n2cc(CCO)nn2)CC1 ZINC000055119121 221059877 /nfs/dbraw/zinc/05/98/77/221059877.db2.gz NTNYDTFNZJXIAP-INIZCTEOSA-N 1 0 352.523 2.417 50 0 FEAARO CCN(CC[NH+]1CCCCCC1)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000055358490 221067123 /nfs/dbraw/zinc/06/71/23/221067123.db2.gz MNSASNRLMSHHLY-UHFFFAOYSA-N 1 0 371.547 2.369 50 0 FEAARO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000058172615 221102877 /nfs/dbraw/zinc/10/28/77/221102877.db2.gz KDGJTIQHIFBQMV-GFCCVEGCSA-N 1 0 358.442 2.200 50 0 FEAARO O=c1[nH]c(CN2CC[NH+](CCc3cccs3)CC2)nc2ccccc21 ZINC000058179635 221103748 /nfs/dbraw/zinc/10/37/48/221103748.db2.gz GBJAGXHLBOKSJR-UHFFFAOYSA-N 1 0 354.479 2.345 50 0 FEAARO C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000058202435 221106535 /nfs/dbraw/zinc/10/65/35/221106535.db2.gz QSLRUUUOHWSDQL-WMLDXEAASA-N 1 0 361.511 2.336 50 0 FEAARO CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000058215645 221107936 /nfs/dbraw/zinc/10/79/36/221107936.db2.gz ZBGNKOXZDBBAHZ-PMACEKPBSA-N 1 0 357.498 2.416 50 0 FEAARO CC(C)CCC(=O)NCC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000060375592 221130204 /nfs/dbraw/zinc/13/02/04/221130204.db2.gz NYJQAIVMFLMEPH-UHFFFAOYSA-N 1 0 355.548 2.017 50 0 FEAARO O=C(Nc1ccc(Br)cc1)C1CCN([C@@H]2CCOC2=O)CC1 ZINC000058227441 221110152 /nfs/dbraw/zinc/11/01/52/221110152.db2.gz FJAHTLIVRXMZSB-CQSZACIVSA-N 1 0 367.243 2.415 50 0 FEAARO O=C(Cc1ccc(F)cc1)NCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000058226058 221110726 /nfs/dbraw/zinc/11/07/26/221110726.db2.gz GUIAIJLIHHZEKM-HXUWFJFHSA-N 1 0 369.440 2.094 50 0 FEAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000058357302 221115515 /nfs/dbraw/zinc/11/55/15/221115515.db2.gz DKXKMUDVZOXPPX-UHFFFAOYSA-N 1 0 371.412 2.361 50 0 FEAARO O=C1CCCN1Cc1ccccc1CNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063872451 221144722 /nfs/dbraw/zinc/14/47/22/221144722.db2.gz KYDDQPHAYNOULT-IFMALSPDSA-N 1 0 371.525 2.278 50 0 FEAARO COc1cccc([C@@H](C)[NH2+]Cc2cn(CCN3CCOCC3)nc2C)c1 ZINC000065372819 221205409 /nfs/dbraw/zinc/20/54/09/221205409.db2.gz OLKHCFBUAOETLS-MRXNPFEDSA-N 1 0 358.486 2.383 50 0 FEAARO CCCn1ncc(NC(=O)c2ccc(CN3CC[NH2+]CC3(C)C)cc2)n1 ZINC000065376594 221206153 /nfs/dbraw/zinc/20/61/53/221206153.db2.gz YLMILXGAXOCAMC-UHFFFAOYSA-N 1 0 356.474 2.124 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)CC1 ZINC000065257709 221189835 /nfs/dbraw/zinc/18/98/35/221189835.db2.gz NUWZMHOQHIOOKD-IBGZPJMESA-N 1 0 357.498 2.022 50 0 FEAARO Cc1cc(C(F)(F)F)nc(CC[NH2+][C@H](C)C(=O)Nc2nccs2)n1 ZINC000065407239 221215065 /nfs/dbraw/zinc/21/50/65/221215065.db2.gz QGOBSPHYQIQQIK-SECBINFHSA-N 1 0 359.377 2.420 50 0 FEAARO COc1ccc([C@H]2CC(=O)NCc3nc(N(C)C)sc32)cc1C[NH+](C)C ZINC000065409502 221215539 /nfs/dbraw/zinc/21/55/39/221215539.db2.gz UYFKSVACSRBBJN-CQSZACIVSA-N 1 0 374.510 2.431 50 0 FEAARO CCOC(=O)N1CCC([NH2+]CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000065455506 221220608 /nfs/dbraw/zinc/22/06/08/221220608.db2.gz FKSVBQUMGZABCG-UHFFFAOYSA-N 1 0 359.470 2.172 50 0 FEAARO O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000065575478 221233958 /nfs/dbraw/zinc/23/39/58/221233958.db2.gz TWJLNNQVJWSTJP-UHFFFAOYSA-N 1 0 355.482 2.443 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)C1 ZINC000079094160 542499257 /nfs/dbraw/zinc/49/92/57/542499257.db2.gz JUQNBRVNMTWVFZ-SFHVURJKSA-N 1 0 357.498 2.450 50 0 FEAARO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cccn2-c2cccnc2)C1 ZINC000067605122 221262322 /nfs/dbraw/zinc/26/23/22/221262322.db2.gz QOFBZTPLUOHFKE-MRXNPFEDSA-N 1 0 366.469 2.167 50 0 FEAARO CN1CCC2(CC1)CN(C(=O)c1cc3ccccc3oc1=O)CCC[N@@H+]2C ZINC000067741094 221278625 /nfs/dbraw/zinc/27/86/25/221278625.db2.gz VUOATQXGHAPHTJ-UHFFFAOYSA-N 1 0 369.465 2.035 50 0 FEAARO CN(CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000067696917 221273742 /nfs/dbraw/zinc/27/37/42/221273742.db2.gz DJMFLYNQECMGJR-SFHVURJKSA-N 1 0 365.905 2.266 50 0 FEAARO c1[nH]nnc1SCCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067787131 221286112 /nfs/dbraw/zinc/28/61/12/221286112.db2.gz DUGGKCKCKFESQB-UHFFFAOYSA-N 1 0 353.455 2.112 50 0 FEAARO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CCC[C@H]1Cn1cccn1)OCO3 ZINC000067821238 221291419 /nfs/dbraw/zinc/29/14/19/221291419.db2.gz PXTBDJXMBBWFQB-HNNXBMFYSA-N 1 0 352.394 2.118 50 0 FEAARO Cc1cc(C[NH+]2CCC(Cc3nn(C)c(=O)n3-c3ccccc3)CC2)[nH]n1 ZINC000067872249 221298699 /nfs/dbraw/zinc/29/86/99/221298699.db2.gz DBCCLSQYTSPNDI-UHFFFAOYSA-N 1 0 366.469 2.057 50 0 FEAARO Cc1nc(NCCc2nc(-c3cccnc3)n[nH]2)cc(C2CC[NH2+]CC2)n1 ZINC000067896015 221302461 /nfs/dbraw/zinc/30/24/61/221302461.db2.gz ADHSCESRHJYOCZ-UHFFFAOYSA-N 1 0 364.457 2.087 50 0 FEAARO CNc1ncccc1C[NH+]1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000067908913 221304088 /nfs/dbraw/zinc/30/40/88/221304088.db2.gz MPTYFMXPPBMTAN-UHFFFAOYSA-N 1 0 364.453 2.377 50 0 FEAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[C@](C)(O)C2)no1 ZINC000067946675 221307199 /nfs/dbraw/zinc/30/71/99/221307199.db2.gz BIKYGXMXEHPWGK-FQEVSTJZSA-N 1 0 357.454 2.336 50 0 FEAARO CC(=O)c1cc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH]n1 ZINC000071405612 221346595 /nfs/dbraw/zinc/34/65/95/221346595.db2.gz WKVIKQHHXHQIDH-PWIZWCRZSA-N 1 0 364.449 2.315 50 0 FEAARO CC(C)[C@@H]1C[N@H+](CCC(=O)N(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071707815 221353422 /nfs/dbraw/zinc/35/34/22/221353422.db2.gz GJHSMOSOIXSOBC-SFHVURJKSA-N 1 0 363.477 2.363 50 0 FEAARO COc1ccc(F)c(-c2nc(CN3CC[NH+](CCCO)CC3)c(C)o2)c1 ZINC000071524705 221350184 /nfs/dbraw/zinc/35/01/84/221350184.db2.gz DQYRMMXTBVHONT-UHFFFAOYSA-N 1 0 363.433 2.298 50 0 FEAARO Cc1nccn1CCCn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000071497752 221350290 /nfs/dbraw/zinc/35/02/90/221350290.db2.gz VSCRJJMQNGGGPA-QGZVFWFLSA-N 1 0 366.469 2.096 50 0 FEAARO Cc1cccnc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071523781 221350708 /nfs/dbraw/zinc/35/07/08/221350708.db2.gz FBUSKNPXXAPNLJ-KRWDZBQOSA-N 1 0 356.514 2.345 50 0 FEAARO CN(Cc1c(C(=O)N2CCCCC2)nc2sccn12)[C@@H]1CC[N@H+](C)C1 ZINC000071551813 221352234 /nfs/dbraw/zinc/35/22/34/221352234.db2.gz VXVOQIQANGAGPF-CQSZACIVSA-N 1 0 361.515 2.158 50 0 FEAARO Cc1cc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)c(C)n1-n1cnnc1 ZINC000071745854 221357985 /nfs/dbraw/zinc/35/79/85/221357985.db2.gz QZCBAEFJYJGWMU-QGZVFWFLSA-N 1 0 353.426 2.280 50 0 FEAARO Cc1cccc(Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)n1 ZINC000071746844 221359372 /nfs/dbraw/zinc/35/93/72/221359372.db2.gz OJTCGEWJLZKXQO-UHFFFAOYSA-N 1 0 363.465 2.312 50 0 FEAARO CNS(=O)(=O)c1ccc(C[N@H+](C)Cc2ccc3nsnc3c2)cc1 ZINC000071751647 221362707 /nfs/dbraw/zinc/36/27/07/221362707.db2.gz NSGCWNGSKGQHNT-UHFFFAOYSA-N 1 0 362.480 2.231 50 0 FEAARO Cn1cc(CCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cn1 ZINC000072420258 221508397 /nfs/dbraw/zinc/50/83/97/221508397.db2.gz CTPXFBCUPZAKDT-UHFFFAOYSA-N 1 0 356.514 2.466 50 0 FEAARO CSCCN1CCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000299800816 533581725 /nfs/dbraw/zinc/58/17/25/533581725.db2.gz VTCXDHNQSJVZMU-UHFFFAOYSA-N 1 0 361.555 2.157 50 0 FEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(C(=O)c1ccco1)C2 ZINC000082109661 542684341 /nfs/dbraw/zinc/68/43/41/542684341.db2.gz CZDHVMMOAWRXPU-HLIPFELVSA-N 1 0 362.470 2.259 50 0 FEAARO OCCC[C@@H]1CN(c2cccc(C(F)(F)F)n2)CC[C@@H]1[NH+]1CCOCC1 ZINC000091616502 132202423 /nfs/dbraw/zinc/20/24/23/132202423.db2.gz USZRNYQDRZMXFK-CABCVRRESA-N 1 0 373.419 2.400 50 0 FEAARO Cc1ccc([C@H](C[NH2+]C2CCN(c3ncnc4nc[nH]c43)CC2)N(C)C)o1 ZINC000096160894 132221200 /nfs/dbraw/zinc/22/12/00/132221200.db2.gz WPYLTPIRCMNKMA-HNNXBMFYSA-N 1 0 369.473 2.116 50 0 FEAARO Cc1ccc(N2CCN(c3cc(C4CC([NH3+])C4)nc(N)n3)CC2)cc1C ZINC000222515564 132277125 /nfs/dbraw/zinc/27/71/25/132277125.db2.gz QMQNDXHJNIAFMA-UHFFFAOYSA-N 1 0 352.486 2.207 50 0 FEAARO CC(=O)c1ccc(N2CCN(c3cc(C4CC([NH3+])C4)ncn3)CC2)cc1 ZINC000223642155 132279709 /nfs/dbraw/zinc/27/97/09/132279709.db2.gz IBUSENYOZSLNFZ-UHFFFAOYSA-N 1 0 351.454 2.211 50 0 FEAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000019732051 132373791 /nfs/dbraw/zinc/37/37/91/132373791.db2.gz XFCBVPQSWQTQDQ-LJQANCHMSA-N 1 0 356.466 2.395 50 0 FEAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CN2c3ccccc3OCC2=O)C1 ZINC000064725773 132375021 /nfs/dbraw/zinc/37/50/21/132375021.db2.gz ZCQQJIUKNBKPFU-BBWFWOEESA-N 1 0 371.481 2.276 50 0 FEAARO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)cc1C ZINC000091441606 542807660 /nfs/dbraw/zinc/80/76/60/542807660.db2.gz FXYIQQSEJNTIEB-PKOBYXMFSA-N 1 0 359.514 2.296 50 0 FEAARO Cc1cccc(C)c1C[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)N(C)C)C2 ZINC000091289340 542803653 /nfs/dbraw/zinc/80/36/53/542803653.db2.gz KCFZPTCHLOQSOD-IAGOWNOFSA-N 1 0 351.516 2.006 50 0 FEAARO CC[C@@H](C(=O)N(C)C)[NH+]1CCC(c2nccn2Cc2cscn2)CC1 ZINC000091288935 542804038 /nfs/dbraw/zinc/80/40/38/542804038.db2.gz ZEHHUJUYISOZMI-INIZCTEOSA-N 1 0 361.515 2.434 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)C1=O ZINC000091643269 542817385 /nfs/dbraw/zinc/81/73/85/542817385.db2.gz SLFPSNWOOFYNMH-HXUWFJFHSA-N 1 0 370.453 2.198 50 0 FEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000091746996 542823955 /nfs/dbraw/zinc/82/39/55/542823955.db2.gz MZTZFYOEQLXVSU-KRWDZBQOSA-N 1 0 360.454 2.476 50 0 FEAARO CNc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2c(C)noc2C)C3)ccn1 ZINC000091914526 542832140 /nfs/dbraw/zinc/83/21/40/542832140.db2.gz WFJPAWKIPVPXKC-DOTOQJQBSA-N 1 0 369.469 2.465 50 0 FEAARO COc1ccc(F)c(CN2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091872822 542830502 /nfs/dbraw/zinc/83/05/02/542830502.db2.gz WHTKRACTNMAVSL-HXUWFJFHSA-N 1 0 366.477 2.130 50 0 FEAARO Cc1cc(CC(=O)NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)on1 ZINC000091943633 542833272 /nfs/dbraw/zinc/83/32/72/542833272.db2.gz QLIFSOSWPBMYCW-UHFFFAOYSA-N 1 0 357.458 2.187 50 0 FEAARO CCN1CC[C@]2(CN(c3nc(-c4ccccc4)no3)CC[N@@H+]2C)CCC1=O ZINC000092002437 542835937 /nfs/dbraw/zinc/83/59/37/542835937.db2.gz YHPRHEMWEAOXCF-FQEVSTJZSA-N 1 0 369.469 2.260 50 0 FEAARO O=C1N(CCO)CCC[C@@]12CC[N@H+](Cc1c(Cl)cncc1Cl)C2 ZINC000092022741 542838728 /nfs/dbraw/zinc/83/87/28/542838728.db2.gz MHVVVXZALSPJDX-INIZCTEOSA-N 1 0 358.269 2.195 50 0 FEAARO CC[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)[NH+](C)C ZINC000092045815 542841637 /nfs/dbraw/zinc/84/16/37/542841637.db2.gz UOBHMFPSUYQQPK-SFHVURJKSA-N 1 0 372.513 2.153 50 0 FEAARO O=C(CCn1cc(Cl)cn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000092077203 542843837 /nfs/dbraw/zinc/84/38/37/542843837.db2.gz SQIPPPBUIHIBMO-CRAIPNDOSA-N 1 0 373.888 2.445 50 0 FEAARO CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(N)nc1)CC2 ZINC000092099099 542845927 /nfs/dbraw/zinc/84/59/27/542845927.db2.gz FHOKFRRUQOVJMC-UHFFFAOYSA-N 1 0 368.485 2.033 50 0 FEAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(N3CCOCC3)nc2)C1 ZINC000058223920 136131175 /nfs/dbraw/zinc/13/11/75/136131175.db2.gz XBEQUFKYYKIRPM-ZIFCJYIRSA-N 1 0 372.513 2.396 50 0 FEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071661277 136139650 /nfs/dbraw/zinc/13/96/50/136139650.db2.gz YMDIWPUTGITVDZ-MRXNPFEDSA-N 1 0 357.502 2.053 50 0 FEAARO c1cnc(NC2CCN(c3nc(-c4ccncc4)nc4c3C[NH2+]C4)CC2)nc1 ZINC000072161225 136143249 /nfs/dbraw/zinc/14/32/49/136143249.db2.gz HPHHUXAZWFLGIC-UHFFFAOYSA-N 1 0 374.452 2.013 50 0 FEAARO Cc1nc(C)c(C)c(N2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)n1 ZINC000072432187 136146934 /nfs/dbraw/zinc/14/69/34/136146934.db2.gz PQDKTWFMDCCOAC-RBUKOAKNSA-N 1 0 371.529 2.219 50 0 FEAARO Cc1cc(N2CCC3(CC(=O)N(Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000072475834 136149189 /nfs/dbraw/zinc/14/91/89/136149189.db2.gz CFFMYVBJJABVAC-UHFFFAOYSA-N 1 0 351.454 2.386 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)n(C)n1 ZINC000095355205 542958285 /nfs/dbraw/zinc/95/82/85/542958285.db2.gz BYRRUIMKUGTFMZ-MAUKXSAKSA-N 1 0 372.517 2.096 50 0 FEAARO COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cc1O ZINC000095366229 542960387 /nfs/dbraw/zinc/96/03/87/542960387.db2.gz UADHFKBAMORFGS-WMLDXEAASA-N 1 0 360.454 2.116 50 0 FEAARO CCN1CC2(CC[NH+](CCOCCO)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095365273 542961016 /nfs/dbraw/zinc/96/10/16/542961016.db2.gz FYBJMSFHFSHVOV-IBGZPJMESA-N 1 0 360.498 2.114 50 0 FEAARO CN(C)[C@@H](C(=O)NCCCOC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000095382837 542965425 /nfs/dbraw/zinc/96/54/25/542965425.db2.gz FQRIMVDOGSRGJM-GOSISDBHSA-N 1 0 351.466 2.046 50 0 FEAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095387353 542967410 /nfs/dbraw/zinc/96/74/10/542967410.db2.gz RFQDYZWMWGELGJ-CQSZACIVSA-N 1 0 366.421 2.045 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(CC(=O)N[C@@H](C)c3ccccc3)CC2)CC1 ZINC000095432354 542970142 /nfs/dbraw/zinc/97/01/42/542970142.db2.gz PIBJZQSNCKLRNL-IBGZPJMESA-N 1 0 372.557 2.354 50 0 FEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000095518053 542979035 /nfs/dbraw/zinc/97/90/35/542979035.db2.gz MFRMFHKAHCPEQZ-SFHVURJKSA-N 1 0 370.497 2.489 50 0 FEAARO C[NH+]1CCC(Cc2nc(CCCn3cncn3)n(-c3ccccc3)n2)CC1 ZINC000095521016 542980194 /nfs/dbraw/zinc/98/01/94/542980194.db2.gz OQXGHONIEVSHNG-UHFFFAOYSA-N 1 0 365.485 2.376 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnn3ccccc13)CC2 ZINC000095527357 542981583 /nfs/dbraw/zinc/98/15/83/542981583.db2.gz KPANMQCHCLRLHV-UHFFFAOYSA-N 1 0 364.453 2.067 50 0 FEAARO Cc1nc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n(C)n1 ZINC000095528367 542981759 /nfs/dbraw/zinc/98/17/59/542981759.db2.gz LALMMAUFPHPVRM-QFBILLFUSA-N 1 0 351.498 2.187 50 0 FEAARO C[C@H](CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000109049283 543312109 /nfs/dbraw/zinc/31/21/09/543312109.db2.gz YVFIXMDIGIYEDR-HUUCEWRRSA-N 1 0 372.444 2.222 50 0 FEAARO Cc1ccc2oc(C(=O)N3CC[C@@H]4[C@@H](CCC(=O)N4CC[NH3+])C3)cc2c1 ZINC000072438878 221529853 /nfs/dbraw/zinc/52/98/53/221529853.db2.gz SUDBZDIMBGAIPH-GOEBONIOSA-N 1 0 355.438 2.153 50 0 FEAARO COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH+](C)C)c(OC)c1 ZINC000077376763 221614580 /nfs/dbraw/zinc/61/45/80/221614580.db2.gz ZLUHZHDHATXVOR-CQSZACIVSA-N 1 0 356.488 2.199 50 0 FEAARO COc1cc(OC)c(C(=O)CCC(=O)N2CCCC[C@@H]([NH3+])C2)cc1OC ZINC000082138642 221705219 /nfs/dbraw/zinc/70/52/19/221705219.db2.gz DSHBPCLMMWIPGL-CYBMUJFWSA-N 1 0 364.442 2.015 50 0 FEAARO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N2CCOCC2)o1 ZINC000095368464 221871140 /nfs/dbraw/zinc/87/11/40/221871140.db2.gz UFDDJBPJDVRPLC-GOSISDBHSA-N 1 0 363.502 2.198 50 0 FEAARO NC(=O)[C@@H]1CCC[N@H+](CCNC(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000096131613 222037170 /nfs/dbraw/zinc/03/71/70/222037170.db2.gz IHEKRIOEMRKAQU-OAHLLOKOSA-N 1 0 374.485 2.327 50 0 FEAARO CC(C)c1nccn1[C@H](C)c1nc(CC2CC[NH+](C)CC2)nn1CCO ZINC000096136630 222041619 /nfs/dbraw/zinc/04/16/19/222041619.db2.gz RRWNDHBCEBEWPA-OAHLLOKOSA-N 1 0 360.506 2.084 50 0 FEAARO COc1ccc(-n2nc(-c3csc(C)n3)nc2C[C@H]2C[NH2+]CCO2)cc1 ZINC000096148277 222050151 /nfs/dbraw/zinc/05/01/51/222050151.db2.gz LFFICBJSUNJPRH-HNNXBMFYSA-N 1 0 371.466 2.239 50 0 FEAARO OC[C@H]1COCC[N@@H+](C2CCN(c3nnc(-c4ccccc4)s3)CC2)C1 ZINC000096180835 222069147 /nfs/dbraw/zinc/06/91/47/222069147.db2.gz RPQUPQUFUIEKHB-HNNXBMFYSA-N 1 0 374.510 2.115 50 0 FEAARO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(-n2cnnn2)c1C ZINC000096343604 222116264 /nfs/dbraw/zinc/11/62/64/222116264.db2.gz UEDDFTISKWITJA-SJLPKXTDSA-N 1 0 368.485 2.273 50 0 FEAARO CCOC(=O)/C=C1/SCC(=O)N1CCSc1ncc2ccccn21 ZINC000096917239 222139425 /nfs/dbraw/zinc/13/94/25/222139425.db2.gz QRJICGXCPOREPB-NTEUORMPSA-N 1 0 363.464 2.406 50 0 FEAARO COc1cc(CN2CCCO[C@H](C[NH+]3CCCC3)C2)cc(OC)c1OC ZINC000097394454 222178622 /nfs/dbraw/zinc/17/86/22/222178622.db2.gz BGTYHHYAZBSEIO-QGZVFWFLSA-N 1 0 364.486 2.399 50 0 FEAARO C[NH+]1CCC(O)(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000097694645 222205593 /nfs/dbraw/zinc/20/55/93/222205593.db2.gz TYESIIDKDXVVFI-UHFFFAOYSA-N 1 0 370.497 2.410 50 0 FEAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000097785239 222212660 /nfs/dbraw/zinc/21/26/60/222212660.db2.gz KYWXDBHGMRNNBR-OAHLLOKOSA-N 1 0 370.432 2.012 50 0 FEAARO O=C1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000100150306 222236962 /nfs/dbraw/zinc/23/69/62/222236962.db2.gz SHBBXKYBLUUZKV-GOSISDBHSA-N 1 0 359.445 2.408 50 0 FEAARO Cc1oc2c(c1C(=O)NCC[N@@H+](C)Cc1ccccc1)C1=NCCN1C=N2 ZINC000100696023 222248724 /nfs/dbraw/zinc/24/87/24/222248724.db2.gz QCBZTEDZMMWOJR-UHFFFAOYSA-N 1 0 365.437 2.185 50 0 FEAARO O=C(NCC1=CSC2=NCCN12)c1cnc(Nc2ccccc2)nc1 ZINC000102411848 222296155 /nfs/dbraw/zinc/29/61/55/222296155.db2.gz VVBURDOOXNLWTJ-UHFFFAOYSA-N 1 0 352.423 2.210 50 0 FEAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000132774491 222540249 /nfs/dbraw/zinc/54/02/49/222540249.db2.gz AVSJBKPHNAMOPN-NSHDSACASA-N 1 0 357.248 2.290 50 0 FEAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OC)c(Br)c(OC)c2)C1 ZINC000132774292 544243243 /nfs/dbraw/zinc/24/32/43/544243243.db2.gz 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COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000244787971 548894770 /nfs/dbraw/zinc/89/47/70/548894770.db2.gz QHEPDSGORFJHNW-INIZCTEOSA-N 1 0 359.470 2.358 50 0 FEAARO Cc1nc(CCCNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)sc1C ZINC000244840328 548896845 /nfs/dbraw/zinc/89/68/45/548896845.db2.gz ULCMSXWBKWDNFX-AWEZNQCLSA-N 1 0 352.548 2.225 50 0 FEAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000252500730 549669550 /nfs/dbraw/zinc/66/95/50/549669550.db2.gz TUQRVESEWDFCHF-HNNXBMFYSA-N 1 0 358.479 2.198 50 0 FEAARO O=C(OCCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000252494771 549669996 /nfs/dbraw/zinc/66/99/96/549669996.db2.gz OEGRLCCSBAPBEA-UHFFFAOYSA-N 1 0 374.481 2.194 50 0 FEAARO COC(=O)C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2OC)CC1 ZINC000253425199 549688768 /nfs/dbraw/zinc/68/87/68/549688768.db2.gz BHJAPFRBJFHBOX-MRXNPFEDSA-N 1 0 362.470 2.319 50 0 FEAARO CC(=O)N1CCC([C@@H]2c3nccn3CCCN2Cc2cccnc2)CC1 ZINC000257190603 549714360 /nfs/dbraw/zinc/71/43/60/549714360.db2.gz NBNYJDVMKQRDRM-LJQANCHMSA-N 1 0 353.470 2.484 50 0 FEAARO Cc1c(Cl)cccc1NC(=O)NC[C@]1(N2CCOCC2)CCOC1 ZINC000257197224 549716413 /nfs/dbraw/zinc/71/64/13/549716413.db2.gz ZRKSPBQGDJEYNK-QGZVFWFLSA-N 1 0 353.850 2.261 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)C1 ZINC000262600915 549831322 /nfs/dbraw/zinc/83/13/22/549831322.db2.gz XEURJADQYVUKDV-VXGBXAGGSA-N 1 0 367.375 2.486 50 0 FEAARO COc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000281948800 551161123 /nfs/dbraw/zinc/16/11/23/551161123.db2.gz LXCXAAIXBGAXHW-FUHWJXTLSA-N 1 0 373.478 2.395 50 0 FEAARO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000286979009 551947405 /nfs/dbraw/zinc/94/74/05/551947405.db2.gz FPIWYKJYXARVBS-WCQYABFASA-N 1 0 358.364 2.427 50 0 FEAARO C[N@H+](CCOc1cccc(CNC(=O)N2CCCO2)c1)C1CCOCC1 ZINC000291148834 552593260 /nfs/dbraw/zinc/59/32/60/552593260.db2.gz DWOUFVFVVOALSI-UHFFFAOYSA-N 1 0 363.458 2.023 50 0 FEAARO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000333808015 554645501 /nfs/dbraw/zinc/64/55/01/554645501.db2.gz IUPODCMHJNSLKO-MAUKXSAKSA-N 1 0 364.511 2.311 50 0 FEAARO CN1CCC[C@@]2(CC[N@H+](CCC(=O)N3CCCc4ccccc43)C2)C1=O ZINC000367566856 556084768 /nfs/dbraw/zinc/08/47/68/556084768.db2.gz SRRUDTZVHDVESQ-NRFANRHFSA-N 1 0 355.482 2.300 50 0 FEAARO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(-c3cc(=O)[nH]c(N)n3)c2)C1 ZINC000426503486 559736110 /nfs/dbraw/zinc/73/61/10/559736110.db2.gz WBPRWNWRZJYVGR-AWEZNQCLSA-N 1 0 369.469 2.235 50 0 FEAARO COc1ccccc1CN(C(=O)NCC[N@@H+]1CCCC[C@@H]1CO)C1CC1 ZINC000426584657 559738409 /nfs/dbraw/zinc/73/84/09/559738409.db2.gz ISYVJBNPFVSLTP-GOSISDBHSA-N 1 0 361.486 2.216 50 0 FEAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccc(-c2ncccc2F)cc1 ZINC000426623139 559739168 /nfs/dbraw/zinc/73/91/68/559739168.db2.gz ZLKBQZAWUDKADZ-KRWDZBQOSA-N 1 0 357.429 2.464 50 0 FEAARO CCn1nc(CNC(=O)Cn2nccc2[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000426641572 559739418 /nfs/dbraw/zinc/73/94/18/559739418.db2.gz QJAYQZWAABVNDK-OAHLLOKOSA-N 1 0 366.469 2.036 50 0 FEAARO CCc1ccc(CN2CCc3c(C(=O)NCC[NH2+]C)csc3C2)nc1 ZINC000426658282 559739753 /nfs/dbraw/zinc/73/97/53/559739753.db2.gz HIVDJYOZJYLBRT-UHFFFAOYSA-N 1 0 358.511 2.213 50 0 FEAARO CCNC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426677427 559740121 /nfs/dbraw/zinc/74/01/21/559740121.db2.gz IHJMVWHENUIICC-NRFANRHFSA-N 1 0 373.497 2.036 50 0 FEAARO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000426691319 559740458 /nfs/dbraw/zinc/74/04/58/559740458.db2.gz RIHQGVDMJUDPRO-QGZVFWFLSA-N 1 0 358.486 2.063 50 0 FEAARO COCCCN(C(=O)c1nc2c(C)cccn2c1F)C1CC[NH+](C)CC1 ZINC000426705870 559740709 /nfs/dbraw/zinc/74/07/09/559740709.db2.gz SNTILOYZNKBYCD-UHFFFAOYSA-N 1 0 362.449 2.355 50 0 FEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1 ZINC000534642361 562538973 /nfs/dbraw/zinc/53/89/73/562538973.db2.gz KDENOHSEVZBNDL-QGZVFWFLSA-N 1 0 360.502 2.329 50 0 FEAARO Cc1ncc(C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)c(-c2ccccc2)n1 ZINC000216016827 568100921 /nfs/dbraw/zinc/10/09/21/568100921.db2.gz KWVOGTZPSYNSAR-INIZCTEOSA-N 1 0 367.497 2.208 50 0 FEAARO COc1ccc(CC(=O)NC2CC[NH+](C3CCOCC3)CC2)c(OC)c1 ZINC000426434182 570605245 /nfs/dbraw/zinc/60/52/45/570605245.db2.gz YVROKOYEVKUHAT-UHFFFAOYSA-N 1 0 362.470 2.006 50 0 FEAARO O=C(CN1N=C(c2ccccc2)CCC1=O)NCCC[NH+]1CCCCCC1 ZINC000004688086 571062662 /nfs/dbraw/zinc/06/26/62/571062662.db2.gz CNJLNWCJOIOZHN-UHFFFAOYSA-N 1 0 370.497 2.395 50 0 FEAARO CCN(CC)S(=O)(=O)c1c(C)nn(CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000084773527 571099781 /nfs/dbraw/zinc/09/97/81/571099781.db2.gz ZSNYGZBIXVOCPZ-INIZCTEOSA-N 1 0 356.536 2.405 50 0 FEAARO Cc1cc(N[C@H]2C[N@H+](CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)ncn1 ZINC000091974039 571197635 /nfs/dbraw/zinc/19/76/35/571197635.db2.gz WVFCLSZUTYDVNP-MSOLQXFVSA-N 1 0 359.518 2.018 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2F)C[C@H]1CCO ZINC000426407480 571221173 /nfs/dbraw/zinc/22/11/73/571221173.db2.gz DKHGIOVKNNUOSI-MRXNPFEDSA-N 1 0 355.429 2.199 50 0 FEAARO COc1cc(-c2ccc(C(=O)N3CC[C@@](O)(C[NH+](C)C)C3)cc2)ccc1O ZINC000426414724 571222272 /nfs/dbraw/zinc/22/22/72/571222272.db2.gz RHVQIDITDIXKSE-OAQYLSRUSA-N 1 0 370.449 2.206 50 0 FEAARO Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)o1 ZINC000426473516 571227236 /nfs/dbraw/zinc/22/72/36/571227236.db2.gz JPYUWVBXQGRVTO-MRXNPFEDSA-N 1 0 373.501 2.053 50 0 FEAARO O=C(NCC1CC[NH2+]CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170048070 571261267 /nfs/dbraw/zinc/26/12/67/571261267.db2.gz DMKOSUBRYBGOLC-UHFFFAOYSA-N 1 0 354.332 2.485 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CC(NC[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000584887884 571314147 /nfs/dbraw/zinc/31/41/47/571314147.db2.gz IRPBCGUMOLNDGW-KRWDZBQOSA-N 1 0 365.543 2.078 50 0 FEAARO Cn1ccnc1[C@@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)C1CC1 ZINC000584888470 571314227 /nfs/dbraw/zinc/31/42/27/571314227.db2.gz FKFQZXHOFKRANB-INIZCTEOSA-N 1 0 363.531 2.094 50 0 FEAARO CCn1cnnc1CN(C)C(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000584889549 571314408 /nfs/dbraw/zinc/31/44/08/571314408.db2.gz AQMBGBCBOWNYEF-QGZVFWFLSA-N 1 0 371.489 2.062 50 0 FEAARO Cc1csc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1 ZINC000585094382 571320464 /nfs/dbraw/zinc/32/04/64/571320464.db2.gz UOABSDXCSZVMDX-CQSZACIVSA-N 1 0 358.529 2.320 50 0 FEAARO C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](Cn2cccn2)c2ccccc2)C[C@H](C)O1 ZINC000670467453 571358998 /nfs/dbraw/zinc/35/89/98/571358998.db2.gz CBCZKNYBGZCZJA-SCTDSRPQSA-N 1 0 356.470 2.240 50 0 FEAARO Cc1ccsc1[C@@H](CNC(=O)c1nc(N)nc2c1CCCC2)[NH+](C)C ZINC000952968713 681793338 /nfs/dbraw/zinc/79/33/38/681793338.db2.gz OBEXOPNPROOSCS-CQSZACIVSA-N 1 0 359.499 2.340 50 0 FEAARO CC[N@@H+]1CCC[C@@H](CN(C)C2CN(S(=O)(=O)c3ccc(C)cc3)C2)C1 ZINC000952982003 681795228 /nfs/dbraw/zinc/79/52/28/681795228.db2.gz VURFWQDPEWZJNW-KRWDZBQOSA-N 1 0 365.543 2.032 50 0 FEAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCC3(CC1)OCCO3)c(C)n2C ZINC000002262481 539347002 /nfs/dbraw/zinc/34/70/02/539347002.db2.gz KRZAZGHRYXVEHZ-SFHVURJKSA-N 1 0 360.454 2.368 50 0 FEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000004725534 539391150 /nfs/dbraw/zinc/39/11/50/539391150.db2.gz INFCJYYBCFIXHX-KRWDZBQOSA-N 1 0 363.502 2.355 50 0 FEAARO [NH2+]=C1Nc2nc3ccccc3c(=O)n2[C@@H](c2cccc(Br)c2)N1 ZINC000004786590 539391850 /nfs/dbraw/zinc/39/18/50/539391850.db2.gz OTQAZOFDWDHJNB-ZDUSSCGKSA-N 1 0 370.210 2.446 50 0 FEAARO CCC[NH+]1CCC(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000004746100 539392053 /nfs/dbraw/zinc/39/20/53/539392053.db2.gz AWNYZBMPPWGJIQ-UHFFFAOYSA-N 1 0 365.543 2.008 50 0 FEAARO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCC[NH+](C)C)cc1 ZINC000005124263 539403221 /nfs/dbraw/zinc/40/32/21/539403221.db2.gz MFFJBDCSKBQWPF-JXAWBTAJSA-N 1 0 355.438 2.427 50 0 FEAARO CN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2c1C[NH2+]CC2 ZINC000299791392 530020648 /nfs/dbraw/zinc/02/06/48/530020648.db2.gz FCJUKRPUSMERFV-UHFFFAOYSA-N 1 0 367.478 2.306 50 0 FEAARO C[NH+]1CCC2(CCN(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)C2)CC1 ZINC000299757073 530051261 /nfs/dbraw/zinc/05/12/61/530051261.db2.gz MBKNJZWXKJJDPJ-UHFFFAOYSA-N 1 0 350.850 2.389 50 0 FEAARO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000005351180 539409672 /nfs/dbraw/zinc/40/96/72/539409672.db2.gz VABQQEZQCVSIKW-PTDBIEIZSA-N 1 0 369.465 2.252 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21 ZINC000008596491 539488884 /nfs/dbraw/zinc/48/88/84/539488884.db2.gz LHIQVPHFCALUEX-UHFFFAOYSA-N 1 0 362.474 2.416 50 0 FEAARO Cc1c[nH]c(C(=O)N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000011936266 539539997 /nfs/dbraw/zinc/53/99/97/539539997.db2.gz QEGVZSZMIUJPQT-SFHVURJKSA-N 1 0 353.470 2.487 50 0 FEAARO CCn1ccnc1CNCc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012317350 539554334 /nfs/dbraw/zinc/55/43/34/539554334.db2.gz VLZVQXMWOZXLOQ-LJQANCHMSA-N 1 0 372.513 2.418 50 0 FEAARO COC(=O)c1ccc(N2CCN(C(=O)CC[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000020618021 539676801 /nfs/dbraw/zinc/67/68/01/539676801.db2.gz QUQKJDRWPMKPNE-KRWDZBQOSA-N 1 0 373.497 2.244 50 0 FEAARO Cn1c(CCN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000022920554 539702640 /nfs/dbraw/zinc/70/26/40/539702640.db2.gz YWOLCQNHQFUPMG-UHFFFAOYSA-N 1 0 367.453 2.209 50 0 FEAARO C[N@H+](Cc1cn(C2CCN(c3ccnc(N)n3)CC2)nn1)C1CCCCC1 ZINC000023130125 539706958 /nfs/dbraw/zinc/70/69/58/539706958.db2.gz JWYJQQPNUYRBQE-UHFFFAOYSA-N 1 0 370.505 2.256 50 0 FEAARO CC[C@H](NC(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1)c1ccccc1 ZINC000023431463 539714154 /nfs/dbraw/zinc/71/41/54/539714154.db2.gz RXODOEUPSYNUPV-SFHVURJKSA-N 1 0 356.474 2.310 50 0 FEAARO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1 ZINC000025061894 539747425 /nfs/dbraw/zinc/74/74/25/539747425.db2.gz NNLDAVCAVYDFLH-TYNCELHUSA-N 1 0 358.891 2.025 50 0 FEAARO O=C(NC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1)c1ccccc1 ZINC000025304935 539755102 /nfs/dbraw/zinc/75/51/02/539755102.db2.gz SBVISKRSLRPHEO-GOSISDBHSA-N 1 0 358.438 2.052 50 0 FEAARO O=C(NC1CC[NH+](C[C@H](O)COCc2ccco2)CC1)c1ccccc1 ZINC000025304938 539755212 /nfs/dbraw/zinc/75/52/12/539755212.db2.gz SBVISKRSLRPHEO-SFHVURJKSA-N 1 0 358.438 2.052 50 0 FEAARO CN1CCc2c3ccccc3n(C[C@H](O)C[NH2+]Cc3ccccc3)c2C1=O ZINC000000803235 219323485 /nfs/dbraw/zinc/32/34/85/219323485.db2.gz YGLFWRNQZUHRDA-QGZVFWFLSA-N 1 0 363.461 2.420 50 0 biogenic FEAARO COc1ccc(OC)c(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)c1 ZINC000001214618 219390342 /nfs/dbraw/zinc/39/03/42/219390342.db2.gz BDTLBUSDWBHJIA-UHFFFAOYSA-N 1 0 357.292 2.265 50 0 FEAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000028724620 539835903 /nfs/dbraw/zinc/83/59/03/539835903.db2.gz DSGXUCUPFRYRMJ-HNNXBMFYSA-N 1 0 360.421 2.468 50 0 FEAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000032675959 539946754 /nfs/dbraw/zinc/94/67/54/539946754.db2.gz VEFMMHJSQFVINO-UHFFFAOYSA-N 1 0 373.478 2.094 50 0 FEAARO NC(=O)NCc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000032747936 539950923 /nfs/dbraw/zinc/95/09/23/539950923.db2.gz MOTRUUOFNBULCP-QGZVFWFLSA-N 1 0 370.453 2.405 50 0 FEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(F)c2)c1 ZINC000033032790 539964523 /nfs/dbraw/zinc/96/45/23/539964523.db2.gz ABOKXFCZZLEASJ-UHFFFAOYSA-N 1 0 369.440 2.208 50 0 FEAARO COc1ccc(-n2nnnc2C2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000035622314 539983877 /nfs/dbraw/zinc/98/38/77/539983877.db2.gz USECMDVXDANYPF-UHFFFAOYSA-N 1 0 355.442 2.290 50 0 FEAARO COCC[N@@H+](Cc1cc(OC)cc(OC)c1)C[C@H](O)COCC(C)C ZINC000036095039 539987200 /nfs/dbraw/zinc/98/72/00/539987200.db2.gz WPKJVNONCNKBNM-KRWDZBQOSA-N 1 0 355.475 2.186 50 0 FEAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2ccc(Br)o2)[nH+]1 ZINC000036708115 539992648 /nfs/dbraw/zinc/99/26/48/539992648.db2.gz TVKIUGDBERGJQZ-UHFFFAOYSA-N 1 0 368.235 2.048 50 0 FEAARO Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCC[NH+](C)C)c12 ZINC000036618455 539991528 /nfs/dbraw/zinc/99/15/28/539991528.db2.gz POGUVGABJXLJKZ-UHFFFAOYSA-N 1 0 368.393 2.218 50 0 FEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2cccc(C)c2NC1=O ZINC000043730159 540107932 /nfs/dbraw/zinc/10/79/32/540107932.db2.gz DEWDBMMNZPWYTG-VCAMNPENSA-N 1 0 369.465 2.172 50 0 FEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-n2cnnn2)ccc1Cl ZINC000043746873 540107953 /nfs/dbraw/zinc/10/79/53/540107953.db2.gz BCZKYLBFKNXXNI-GUYCJALGSA-N 1 0 374.876 2.310 50 0 FEAARO Cc1cc(C[NH+]2CCC(CNC(=O)c3cccn(C)c3=O)CC2)c(C)o1 ZINC000043972450 540116385 /nfs/dbraw/zinc/11/63/85/540116385.db2.gz UDWJAJOVQQPBRF-UHFFFAOYSA-N 1 0 357.454 2.237 50 0 FEAARO NC(=O)NCc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000045570642 540217132 /nfs/dbraw/zinc/21/71/32/540217132.db2.gz PVBBAQXUICVJDY-LJQANCHMSA-N 1 0 366.465 2.422 50 0 FEAARO COc1ccccc1-c1cccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000252501306 222975491 /nfs/dbraw/zinc/97/54/91/222975491.db2.gz UDRYIWQJZKQJJW-IBGZPJMESA-N 1 0 365.477 2.482 50 0 FEAARO COCCn1cc(NC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000046986715 540281808 /nfs/dbraw/zinc/28/18/08/540281808.db2.gz YXKFIKWNOUDNSN-UHFFFAOYSA-N 1 0 371.485 2.488 50 0 FEAARO C[NH+]1CCN(c2cc(CNC(=O)NCCc3cccc(F)c3)ccn2)CC1 ZINC000048201348 540351334 /nfs/dbraw/zinc/35/13/34/540351334.db2.gz HZKSTYHOLPWIOC-UHFFFAOYSA-N 1 0 371.460 2.014 50 0 FEAARO CN(C(=O)c1sc2ccccc2c1CS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000299749015 223080391 /nfs/dbraw/zinc/08/03/91/223080391.db2.gz IWXYVMCSJVNONO-UHFFFAOYSA-N 1 0 366.508 2.270 50 0 FEAARO O=C(c1cccn2cnnc12)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000299759841 223083323 /nfs/dbraw/zinc/08/33/23/223083323.db2.gz NZWFLSVDSUOBCH-UHFFFAOYSA-N 1 0 361.449 2.045 50 0 FEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000299770800 223089719 /nfs/dbraw/zinc/08/97/19/223089719.db2.gz RNBZQWFLPGLKKW-SFHVURJKSA-N 1 0 357.458 2.447 50 0 FEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2CC(Oc3ccccc3F)C2)c1 ZINC000299799789 223102699 /nfs/dbraw/zinc/10/26/99/223102699.db2.gz SKPDFFSNKZEMHD-UHFFFAOYSA-N 1 0 374.412 2.465 50 0 FEAARO [NH3+]C1(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)CCC1 ZINC000072128195 541785428 /nfs/dbraw/zinc/78/54/28/541785428.db2.gz XUCWUEVAKCDUJY-BMGDILEWSA-N 1 0 361.436 2.235 50 0 FEAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1c[nH]c(=O)c(Cl)c1 ZINC000072140542 541785911 /nfs/dbraw/zinc/78/59/11/541785911.db2.gz IPHGWVDWQYQVMA-MRXNPFEDSA-N 1 0 371.868 2.390 50 0 FEAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072144212 541786970 /nfs/dbraw/zinc/78/69/70/541786970.db2.gz ZKHVBXXRWKRCHQ-QGZVFWFLSA-N 1 0 370.453 2.114 50 0 FEAARO C[C@@H](CO)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072141647 541787249 /nfs/dbraw/zinc/78/72/49/541787249.db2.gz CDPVAEXBJLXFPX-KRWDZBQOSA-N 1 0 352.478 2.196 50 0 FEAARO CCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000072143290 541787341 /nfs/dbraw/zinc/78/73/41/541787341.db2.gz OVCBFVUOMONCHU-HXUWFJFHSA-N 1 0 365.477 2.145 50 0 FEAARO CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000072143806 541787434 /nfs/dbraw/zinc/78/74/34/541787434.db2.gz NVZVDSYMLLTMTL-MJGOQNOKSA-N 1 0 358.442 2.177 50 0 FEAARO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072145522 541788333 /nfs/dbraw/zinc/78/83/33/541788333.db2.gz SZOVWGLHGOGKLN-KRWDZBQOSA-N 1 0 372.444 2.277 50 0 FEAARO Cc1nc2c(c(C)n1)C[C@@H](C[NH+]1CCC3(CC1)c1ccccc1NC3=O)O2 ZINC000072147761 541789026 /nfs/dbraw/zinc/78/90/26/541789026.db2.gz WEWFPJMMGNNJFN-HNNXBMFYSA-N 1 0 364.449 2.383 50 0 FEAARO O=S(=O)(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCCCC1 ZINC000072163972 541793029 /nfs/dbraw/zinc/79/30/29/541793029.db2.gz SEKOAXXJELFUIM-LJQANCHMSA-N 1 0 365.543 2.404 50 0 FEAARO COc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c(F)c1F ZINC000072168883 541795193 /nfs/dbraw/zinc/79/51/93/541795193.db2.gz RDXNCJLLXJZAIH-ZDUSSCGKSA-N 1 0 354.397 2.035 50 0 FEAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NC[C@]3(O)CC[NH2+]C3)c2c1 ZINC000072172806 541795699 /nfs/dbraw/zinc/79/56/99/541795699.db2.gz QFJLUQWBDBVGRO-NRFANRHFSA-N 1 0 362.433 2.059 50 0 FEAARO Cc1cc2nc(-c3ccccc3)cc(N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)n2n1 ZINC000072411613 541807552 /nfs/dbraw/zinc/80/75/52/541807552.db2.gz DUJLNWPENKPESU-OALUTQOASA-N 1 0 363.465 2.350 50 0 FEAARO c1cn(Cc2ccc3nsnc3c2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072419315 541808339 /nfs/dbraw/zinc/80/83/39/541808339.db2.gz ZILSFBXJUMSOPN-UHFFFAOYSA-N 1 0 351.439 2.293 50 0 FEAARO Cc1ncc(C[N@H+]2CCC[C@@H](c3nnc(CN4CCCCC4)n3C)C2)cn1 ZINC000072420407 541808860 /nfs/dbraw/zinc/80/88/60/541808860.db2.gz ARYXTPJNPWXAIN-GOSISDBHSA-N 1 0 369.517 2.279 50 0 FEAARO Cc1nc[nH]c1C[N@@H+]1CCc2ncnc(N[C@@H](C)c3ncc[nH]3)c2CC1 ZINC000072421254 541808941 /nfs/dbraw/zinc/80/89/41/541808941.db2.gz IDFOSNOJBGWQEX-ZDUSSCGKSA-N 1 0 352.446 2.005 50 0 FEAARO CCN1C[C@@]2(CCC[N@H+](CC(=O)NCCc3ccccc3)C2)CCC1=O ZINC000072422343 541809341 /nfs/dbraw/zinc/80/93/41/541809341.db2.gz WPTQWNRPGYUNNE-NRFANRHFSA-N 1 0 357.498 2.070 50 0 FEAARO C[C@H](CNc1nc(CC2CC2)nc2c1CC[NH2+]CC2)Oc1cccnc1 ZINC000072424936 541810185 /nfs/dbraw/zinc/81/01/85/541810185.db2.gz RZJXTTRWAJVTCM-CQSZACIVSA-N 1 0 353.470 2.392 50 0 FEAARO Cc1nc(N)nc(C)c1CC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072430197 541812793 /nfs/dbraw/zinc/81/27/93/541812793.db2.gz OMCAYTDAFSNDOT-UHFFFAOYSA-N 1 0 359.499 2.014 50 0 FEAARO CC(C)(O)CCc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000072436148 541814074 /nfs/dbraw/zinc/81/40/74/541814074.db2.gz JSEDFTLIUYJLPH-OALUTQOASA-N 1 0 360.498 2.061 50 0 FEAARO Cc1nccn1C1(C(=O)[O-])CC[NH+](Cc2cccc(C[NH+](C)C)c2)CC1 ZINC000072467875 541817732 /nfs/dbraw/zinc/81/77/32/541817732.db2.gz KMHUHWPAGARGKK-UHFFFAOYSA-N 1 0 356.470 2.329 50 0 FEAARO COc1ccc(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)cc1Cn1cccn1 ZINC000072447593 541816065 /nfs/dbraw/zinc/81/60/65/541816065.db2.gz QYFURMQNNWSXRR-UHFFFAOYSA-N 1 0 370.453 2.357 50 0 FEAARO COCC[N@@H+]1CC[C@H](CN(C)c2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072462949 541816459 /nfs/dbraw/zinc/81/64/59/541816459.db2.gz VTKZGMQPEMPYNA-OAHLLOKOSA-N 1 0 372.517 2.425 50 0 FEAARO C[NH+](C)CCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072458558 541816670 /nfs/dbraw/zinc/81/66/70/541816670.db2.gz ZXWFUGKQVHRZGK-OAQYLSRUSA-N 1 0 372.513 2.155 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000072480953 541822429 /nfs/dbraw/zinc/82/24/29/541822429.db2.gz IRXMHRDDLLABPJ-UHFFFAOYSA-N 1 0 360.498 2.327 50 0 FEAARO C[NH+]1CCC(N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588751 220010773 /nfs/dbraw/zinc/01/07/73/220010773.db2.gz GXZLMJMMRBOIQL-IBGZPJMESA-N 1 0 353.470 2.369 50 0 FEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000012776506 220027922 /nfs/dbraw/zinc/02/79/22/220027922.db2.gz ALOPWLMHZORILB-UHFFFAOYSA-N 1 0 359.289 2.354 50 0 FEAARO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014742559 220130402 /nfs/dbraw/zinc/13/04/02/220130402.db2.gz HHTJKFIMYRGXKZ-INIZCTEOSA-N 1 0 355.486 2.334 50 0 FEAARO COC1CC[NH+](C[C@]2(O)CCCN(CCC3CCCCC3)C2=O)CC1 ZINC000014979333 220138866 /nfs/dbraw/zinc/13/88/66/220138866.db2.gz IDAVLOFURKWTHH-HXUWFJFHSA-N 1 0 352.519 2.421 50 0 FEAARO CCN(CC)C(=O)c1cn(C[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)nn1 ZINC000014998080 220139826 /nfs/dbraw/zinc/13/98/26/220139826.db2.gz XGGOVXNSEIFBBV-QGZVFWFLSA-N 1 0 370.501 2.376 50 0 FEAARO CCc1ccc(S(=O)(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000015079353 220147723 /nfs/dbraw/zinc/14/77/23/220147723.db2.gz UUIWSEJWZCCMED-SFHVURJKSA-N 1 0 367.559 2.286 50 0 FEAARO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000075106146 542152785 /nfs/dbraw/zinc/15/27/85/542152785.db2.gz OLSVYEFAKPDSGB-HOTGVXAUSA-N 1 0 361.486 2.126 50 0 FEAARO C[C@H]([NH2+]CCNC(=O)c1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000075094262 542151509 /nfs/dbraw/zinc/15/15/09/542151509.db2.gz NMJXZMZLPRGMEP-GHTZIAJQSA-N 1 0 367.493 2.468 50 0 FEAARO CCc1ccc2nc(C)cc(C(=O)NCCCN3CC[NH+](C)CC3)c2c1 ZINC000077287466 542362366 /nfs/dbraw/zinc/36/23/66/542362366.db2.gz GSVLPXDGJCBGPT-UHFFFAOYSA-N 1 0 354.498 2.473 50 0 FEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)o1 ZINC000019740703 220292638 /nfs/dbraw/zinc/29/26/38/220292638.db2.gz PPGWIQCWKRMONQ-ZDUSSCGKSA-N 1 0 357.458 2.079 50 0 FEAARO O=C(c1cc2ccccc2s1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077343553 542370015 /nfs/dbraw/zinc/37/00/15/542370015.db2.gz NNDQDLHPPXPTRP-IBGZPJMESA-N 1 0 360.479 2.201 50 0 FEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000020118820 220314574 /nfs/dbraw/zinc/31/45/74/220314574.db2.gz FZADUFWHEJPLSG-OAHLLOKOSA-N 1 0 362.543 2.482 50 0 FEAARO CC(=O)N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000020612094 220336344 /nfs/dbraw/zinc/33/63/44/220336344.db2.gz XXPWSVXFEAFQKZ-MALKTNSBSA-N 1 0 360.498 2.465 50 0 FEAARO Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cc2)n1 ZINC000077437426 542381791 /nfs/dbraw/zinc/38/17/91/542381791.db2.gz DLYAWYLOOAETDL-OALUTQOASA-N 1 0 354.454 2.082 50 0 FEAARO Cc1[nH]c2ccc(C(=O)N3CCOC[C@@](O)(C[NH+]4CCCC4)C3)cc2c1C ZINC000077358840 542372928 /nfs/dbraw/zinc/37/29/28/542372928.db2.gz QTJVUFXHWOAJOJ-OAQYLSRUSA-N 1 0 371.481 2.084 50 0 FEAARO Cc1cc(C)nc(CN(C)C(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)c1 ZINC000077459764 542385175 /nfs/dbraw/zinc/38/51/75/542385175.db2.gz RGPKLTCARRGZGU-INIZCTEOSA-N 1 0 356.474 2.094 50 0 FEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(OC)cc1 ZINC000021868520 220369146 /nfs/dbraw/zinc/36/91/46/220369146.db2.gz PIRMJEDZEGESPH-UHFFFAOYSA-N 1 0 358.438 2.039 50 0 FEAARO CC[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000077564479 542397792 /nfs/dbraw/zinc/39/77/92/542397792.db2.gz BFVBRKIEYOVSTM-CYBMUJFWSA-N 1 0 371.437 2.264 50 0 FEAARO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000033040101 220712666 /nfs/dbraw/zinc/71/26/66/220712666.db2.gz VMCMZYNGCUFGJF-KBPBESRZSA-N 1 0 361.467 2.320 50 0 FEAARO COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(OC)cc2)CC1 ZINC000048280030 221005386 /nfs/dbraw/zinc/00/53/86/221005386.db2.gz USZCPEDFWRDADD-SFHVURJKSA-N 1 0 374.481 2.114 50 0 FEAARO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000048354795 221010078 /nfs/dbraw/zinc/01/00/78/221010078.db2.gz RSQRKKOKTDOEFQ-ZDUSSCGKSA-N 1 0 351.447 2.135 50 0 FEAARO Cc1ccc(F)cc1C(=O)N1CCC[C@@H](Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000048140044 221000435 /nfs/dbraw/zinc/00/04/35/221000435.db2.gz BWEWXMYFXZWHJW-CQSZACIVSA-N 1 0 359.449 2.472 50 0 FEAARO C[C@@H]1C[N@@H+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@H](C)O1 ZINC000049662037 221027154 /nfs/dbraw/zinc/02/71/54/221027154.db2.gz AGRFRTKLCPEWTJ-YVQPMRDGSA-N 1 0 363.498 2.381 50 0 FEAARO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCC(C)(C)C[NH+](C)C ZINC000049946338 221029220 /nfs/dbraw/zinc/02/92/20/221029220.db2.gz FMTIGMZROUNYIB-INIZCTEOSA-N 1 0 369.456 2.423 50 0 FEAARO CNS(=O)(=O)c1ccc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc1 ZINC000078689560 542476565 /nfs/dbraw/zinc/47/65/65/542476565.db2.gz OMTZLDBZNYNMIH-INIZCTEOSA-N 1 0 374.510 2.091 50 0 FEAARO C[C@H](CNC(=O)Cn1cccc(C(F)(F)F)c1=O)[NH+]1CCC(C)CC1 ZINC000058179257 221103323 /nfs/dbraw/zinc/10/33/23/221103323.db2.gz JJZKTWAJLPAXPL-CYBMUJFWSA-N 1 0 359.392 2.104 50 0 FEAARO CC[NH+]1CCN(CCCNC(=O)c2cc(C)nc3cc(F)ccc32)CC1 ZINC000058225155 221109142 /nfs/dbraw/zinc/10/91/42/221109142.db2.gz BXYJGTUXDAUQTL-UHFFFAOYSA-N 1 0 358.461 2.440 50 0 FEAARO COc1cc([C@@H]2[NH2+]CC[C@]23C(=O)Nc2ccccc23)cc2c1OCCO2 ZINC000062001412 221138298 /nfs/dbraw/zinc/13/82/98/221138298.db2.gz HCBHUGFDFNCLMN-AZUAARDMSA-N 1 0 352.390 2.391 50 0 FEAARO CCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000063761924 221143815 /nfs/dbraw/zinc/14/38/15/221143815.db2.gz NBBZKQULYOZQAA-UHFFFAOYSA-N 1 0 367.515 2.450 50 0 FEAARO Cc1csc(Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)n1 ZINC000065399033 221211953 /nfs/dbraw/zinc/21/19/53/221211953.db2.gz IJUPVQXPBNXDGQ-UHFFFAOYSA-N 1 0 369.494 2.389 50 0 FEAARO O=C(CC[NH2+]C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)Nc1nccs1 ZINC000065404454 221213080 /nfs/dbraw/zinc/21/30/80/221213080.db2.gz QJOOQJNNDQEHIJ-MWABVPJASA-N 1 0 372.498 2.401 50 0 FEAARO Cc1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000065513648 221228235 /nfs/dbraw/zinc/22/82/35/221228235.db2.gz IRWHDSMPCUYEBU-HZPDHXFCSA-N 1 0 359.401 2.382 50 0 FEAARO O=C(NCCC[NH+]1CCCCC1)c1sccc1NC(=O)c1cnccn1 ZINC000067335702 221252145 /nfs/dbraw/zinc/25/21/45/221252145.db2.gz HBWNQEZMRJZDTK-UHFFFAOYSA-N 1 0 373.482 2.396 50 0 FEAARO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067434826 221253964 /nfs/dbraw/zinc/25/39/64/221253964.db2.gz YPUHORJNHBUAAW-MRXNPFEDSA-N 1 0 366.469 2.291 50 0 FEAARO COCCN1CCC[C@](O)(C[N@H+](C)Cc2cc3ccccc3s2)C1=O ZINC000067649132 221265110 /nfs/dbraw/zinc/26/51/10/221265110.db2.gz JZJSRGHAPOBCFX-IBGZPJMESA-N 1 0 362.495 2.333 50 0 FEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1OCc1ccccc1 ZINC000067491411 221257045 /nfs/dbraw/zinc/25/70/45/221257045.db2.gz OSMZGCXIAASRHM-OALUTQOASA-N 1 0 353.466 2.303 50 0 FEAARO COc1cccc(CN2CCC[C@@](O)(C[NH2+]C3CCCC3)C2=O)c1OC ZINC000067691186 221272569 /nfs/dbraw/zinc/27/25/69/221272569.db2.gz VBRMISUYXKCUME-HXUWFJFHSA-N 1 0 362.470 2.090 50 0 FEAARO CC(C)[C@H](NC(=O)c1cc2ccccc2o1)c1nnc2n1CC[NH2+]CC2 ZINC000067713593 221275000 /nfs/dbraw/zinc/27/50/00/221275000.db2.gz KQOGVSQKGOUJRX-KRWDZBQOSA-N 1 0 353.426 2.297 50 0 FEAARO Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2n1 ZINC000067816917 221288125 /nfs/dbraw/zinc/28/81/25/221288125.db2.gz VBKICTXWZPTQCF-NWDGAFQWSA-N 1 0 367.375 2.365 50 0 FEAARO CN1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1)[NH2+][C@]2(CO)Cc1c[nH]c2ccccc12 ZINC000067805198 221288160 /nfs/dbraw/zinc/28/81/60/221288160.db2.gz GYBZTSUJOKXSCH-KIZRIRGWSA-N 1 0 362.477 2.359 50 0 FEAARO O=C(CCSc1nnc(-c2ccncc2)o1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067820594 221289606 /nfs/dbraw/zinc/28/96/06/221289606.db2.gz WREVPFFDVONHMP-SFHVURJKSA-N 1 0 373.482 2.216 50 0 FEAARO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)NCc2noc(C(C)C)n2)cn1 ZINC000067756841 221282206 /nfs/dbraw/zinc/28/22/06/221282206.db2.gz QVCYSPSRZQPTLZ-OAHLLOKOSA-N 1 0 372.473 2.414 50 0 FEAARO C[C@@H](C[NH3+])C(=O)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067867719 221296429 /nfs/dbraw/zinc/29/64/29/221296429.db2.gz VYVLIAHJYRPFRI-LBPRGKRZSA-N 1 0 353.401 2.489 50 0 FEAARO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c(-c2ccccc2)o1 ZINC000067909131 221304038 /nfs/dbraw/zinc/30/40/38/221304038.db2.gz MMFOAUMFCHSXJQ-WBVHZDCISA-N 1 0 355.438 2.321 50 0 FEAARO CCC[NH+]1CCN(C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067920553 221305131 /nfs/dbraw/zinc/30/51/31/221305131.db2.gz FASHOGJYLMQRJW-QFIPXVFZSA-N 1 0 373.541 2.000 50 0 FEAARO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cncs2)C1=O ZINC000067948112 221307642 /nfs/dbraw/zinc/30/76/42/221307642.db2.gz NLOFXDHGLCCWKX-KRWDZBQOSA-N 1 0 350.488 2.370 50 0 FEAARO NC(=O)CC[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)C1 ZINC000067947704 221308300 /nfs/dbraw/zinc/30/83/00/221308300.db2.gz VHXLJOBUECVNDX-OAHLLOKOSA-N 1 0 365.481 2.271 50 0 FEAARO COc1ccc(F)c(CN2CCC[C@@](O)(C[NH2+]C3(C(C)C)CC3)C2=O)c1 ZINC000071747858 221359718 /nfs/dbraw/zinc/35/97/18/221359718.db2.gz IOIHTWKYALPJJL-HXUWFJFHSA-N 1 0 364.461 2.466 50 0 FEAARO O=C(NCCF)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071748833 221360939 /nfs/dbraw/zinc/36/09/39/221360939.db2.gz UUALUXQVRWPCPW-IBGZPJMESA-N 1 0 361.505 2.491 50 0 FEAARO Cc1nc[nH]c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751906 221363531 /nfs/dbraw/zinc/36/35/31/221363531.db2.gz KOYVSLQSGHHKAU-QGZVFWFLSA-N 1 0 359.518 2.017 50 0 FEAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000071681208 221354363 /nfs/dbraw/zinc/35/43/63/221354363.db2.gz HUAAETDIJKSVHS-CQSZACIVSA-N 1 0 369.469 2.363 50 0 FEAARO CC(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071763907 221371893 /nfs/dbraw/zinc/37/18/93/221371893.db2.gz GYRZVALXLGBRLR-QGZVFWFLSA-N 1 0 361.461 2.150 50 0 FEAARO CCOc1ccccc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079459545 542520061 /nfs/dbraw/zinc/52/00/61/542520061.db2.gz IPQXEADUNKAPGL-KRWDZBQOSA-N 1 0 372.513 2.401 50 0 FEAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000079723432 542538323 /nfs/dbraw/zinc/53/83/23/542538323.db2.gz ZOFNTBOTVRRMFG-KRWDZBQOSA-N 1 0 372.513 2.483 50 0 FEAARO COc1ccc(C(=O)N2CC[C@H](n3nc(C)cc3C)C2)cc1OCCC[NH3+] ZINC000299755728 533312982 /nfs/dbraw/zinc/31/29/82/533312982.db2.gz CEPGXZOOXZLXJL-KRWDZBQOSA-N 1 0 372.469 2.323 50 0 FEAARO Cc1c2cccc(F)c2[nH]c1C(=O)N1CCN([C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000082091865 542683055 /nfs/dbraw/zinc/68/30/55/542683055.db2.gz COBWYVLJTDGQBX-GOSISDBHSA-N 1 0 370.472 2.467 50 0 FEAARO O=C(CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O)Nc1nccs1 ZINC000082096423 542683114 /nfs/dbraw/zinc/68/31/14/542683114.db2.gz NYDHCCAAQAWMHL-UHFFFAOYSA-N 1 0 371.466 2.371 50 0 FEAARO Cc1cnc(C)c(N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)n1 ZINC000091706688 132203410 /nfs/dbraw/zinc/20/34/10/132203410.db2.gz ACWRZMMBNWIZJS-KRWDZBQOSA-N 1 0 357.502 2.007 50 0 FEAARO Cc1cc(C)nc(N2CCC([NH2+]Cc3ccc(-n4cncn4)cc3)CC2)n1 ZINC000095364628 132208158 /nfs/dbraw/zinc/20/81/58/132208158.db2.gz NHBSFWPWQMSOAI-UHFFFAOYSA-N 1 0 363.469 2.433 50 0 FEAARO c1nc(N2CCCCC2)ncc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000215971358 132270628 /nfs/dbraw/zinc/27/06/28/132270628.db2.gz XVKCCJLPBYWUFM-UHFFFAOYSA-N 1 0 361.559 2.480 50 0 FEAARO [NH3+]C1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)nc(C3CC3)n2)C1 ZINC000219325608 132274460 /nfs/dbraw/zinc/27/44/60/132274460.db2.gz LDAKMSCXNWPTHA-UHFFFAOYSA-N 1 0 369.513 2.398 50 0 FEAARO Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000222768996 132277821 /nfs/dbraw/zinc/27/78/21/132277821.db2.gz FUHIZAHISQVBGN-UHFFFAOYSA-N 1 0 359.861 2.277 50 0 FEAARO Cc1nc2oc3c(ncnc3N3CC[NH2+]CC3)c2c2c1COC(C)(C)C2 ZINC000002357863 132383370 /nfs/dbraw/zinc/38/33/70/132383370.db2.gz FZVLIXUWNHNAHR-UHFFFAOYSA-N 1 0 353.426 2.340 50 0 FEAARO COCCN1CC[C@]2(CN(Cc3ccc(C)s3)CC[N@@H+]2C)CCC1=O ZINC000091410892 542806173 /nfs/dbraw/zinc/80/61/73/542806173.db2.gz RPYZKVYTSNDLIA-IBGZPJMESA-N 1 0 365.543 2.202 50 0 FEAARO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091325819 542804565 /nfs/dbraw/zinc/80/45/65/542804565.db2.gz RDWWQOWADRIOOQ-HUUCEWRRSA-N 1 0 359.445 2.392 50 0 FEAARO C[NH+]1CCC(N2CCC[C@H]2c2ncnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000091547849 542812566 /nfs/dbraw/zinc/81/25/66/542812566.db2.gz DUSSKBQHXFSFBF-KRWDZBQOSA-N 1 0 369.469 2.270 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)C(C)(C)NC(=O)c3cccs3)C[C@@H]2[NH3+])o1 ZINC000091574633 542813323 /nfs/dbraw/zinc/81/33/23/542813323.db2.gz ODOWBXMIJDMELB-STQMWFEESA-N 1 0 361.467 2.111 50 0 FEAARO CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1cc3ccccc3o1)C2 ZINC000091593588 542814594 /nfs/dbraw/zinc/81/45/94/542814594.db2.gz LASYPAUXUJOLLR-GDBMZVCRSA-N 1 0 363.483 2.135 50 0 FEAARO Cc1ccnn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091713259 542821344 /nfs/dbraw/zinc/82/13/44/542821344.db2.gz OYMYZSYKNWTJHB-PKOBYXMFSA-N 1 0 356.445 2.454 50 0 FEAARO COc1cccc(-c2cc(C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)[nH]n2)c1 ZINC000091746986 542823699 /nfs/dbraw/zinc/82/36/99/542823699.db2.gz YTLGELMWBODHHH-GASCZTMLSA-N 1 0 372.469 2.314 50 0 FEAARO COCCn1ccnc1C1CC[NH+](Cc2ccc(C(=O)N(C)C)o2)CC1 ZINC000091830639 542827229 /nfs/dbraw/zinc/82/72/29/542827229.db2.gz CLORUFPJXOUTGV-UHFFFAOYSA-N 1 0 360.458 2.204 50 0 FEAARO COc1ccc(F)c(CN2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1 ZINC000091872819 542830141 /nfs/dbraw/zinc/83/01/41/542830141.db2.gz WHTKRACTNMAVSL-FQEVSTJZSA-N 1 0 366.477 2.130 50 0 FEAARO COCCn1cncc1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCC1)C2=O ZINC000091907024 542832459 /nfs/dbraw/zinc/83/24/59/542832459.db2.gz URZMHMRDDJKYAY-FQEVSTJZSA-N 1 0 360.502 2.287 50 0 FEAARO CN1CCC[N@H+](C[C@@H]2CN(Cc3c(F)cccc3Cl)C[C@@H]2CO)CC1 ZINC000091998069 542835796 /nfs/dbraw/zinc/83/57/96/542835796.db2.gz OMMSJEPHVBNLNI-HZPDHXFCSA-N 1 0 369.912 2.157 50 0 FEAARO CC(C)[C@@H]1C[N@H+](Cc2cnc(-c3ccco3)nc2)C[C@H]1NC(=O)N(C)C ZINC000092065894 542843043 /nfs/dbraw/zinc/84/30/43/542843043.db2.gz HLVABMYTTXPTAY-JKSUJKDBSA-N 1 0 357.458 2.464 50 0 FEAARO CC[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1)[NH+](C)C ZINC000092045816 542841318 /nfs/dbraw/zinc/84/13/18/542841318.db2.gz UOBHMFPSUYQQPK-GOSISDBHSA-N 1 0 372.513 2.153 50 0 FEAARO CN(Cc1ccccc1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000058289608 136131464 /nfs/dbraw/zinc/13/14/64/136131464.db2.gz OXEPGDDKUMYFRM-UHFFFAOYSA-N 1 0 353.470 2.175 50 0 FEAARO CC(C)[NH+]1CCC(CC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)CC1 ZINC000095372677 542963093 /nfs/dbraw/zinc/96/30/93/542963093.db2.gz GZPMMQPAMNOVQH-LJQANCHMSA-N 1 0 362.518 2.203 50 0 FEAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071614113 136139556 /nfs/dbraw/zinc/13/95/56/136139556.db2.gz XDYXYEYFPLTQSK-INIZCTEOSA-N 1 0 357.502 2.053 50 0 FEAARO Cc1cnc(C)c(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000071747098 136139977 /nfs/dbraw/zinc/13/99/77/136139977.db2.gz JMUTWGBEUBVXJG-INIZCTEOSA-N 1 0 357.502 2.053 50 0 FEAARO Cc1cc2nc(C(C)C)cc(N3CC[N@H+](CC4CC4)[C@H](CCO)C3)n2n1 ZINC000072409679 136145234 /nfs/dbraw/zinc/14/52/34/136145234.db2.gz IHAOLZFWGKQXNT-QGZVFWFLSA-N 1 0 357.502 2.444 50 0 FEAARO Cc1c(C[N@@H+]2CCc3nc(C)nc(N4CC=CCC4)c3CC2)cnn1C ZINC000072409977 136145579 /nfs/dbraw/zinc/14/55/79/136145579.db2.gz DIEVZWHRRDNNCI-UHFFFAOYSA-N 1 0 352.486 2.194 50 0 FEAARO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000094541385 542955751 /nfs/dbraw/zinc/95/57/51/542955751.db2.gz XNTLDGOMHINCRE-SECBINFHSA-N 1 0 353.307 2.192 50 0 FEAARO O=C(NCc1nc(-c2ncccn2)no1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095352806 542957231 /nfs/dbraw/zinc/95/72/31/542957231.db2.gz AYMGNKKAFWKYBW-UHFFFAOYSA-N 1 0 370.457 2.188 50 0 FEAARO O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095357220 542959127 /nfs/dbraw/zinc/95/91/27/542959127.db2.gz MCDYWTCRBLAPBE-GOSISDBHSA-N 1 0 368.481 2.380 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000095358245 542959442 /nfs/dbraw/zinc/95/94/42/542959442.db2.gz ZXSUYTVGNBYHSF-HNNXBMFYSA-N 1 0 366.469 2.341 50 0 FEAARO Cn1cccc1C(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358391 542959558 /nfs/dbraw/zinc/95/95/58/542959558.db2.gz NZVPDZMKCUFRLT-DFQSSKMNSA-N 1 0 351.450 2.433 50 0 FEAARO O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095367013 542960672 /nfs/dbraw/zinc/96/06/72/542960672.db2.gz JZFRGWSILJXYBF-OAHLLOKOSA-N 1 0 359.499 2.190 50 0 FEAARO Cc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000095382853 542965145 /nfs/dbraw/zinc/96/51/45/542965145.db2.gz AUTIGSQODWRGNF-SFHVURJKSA-N 1 0 364.877 2.467 50 0 FEAARO COc1ccc([C@@H]2CN(c3cc(N)ncn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095386425 542966279 /nfs/dbraw/zinc/96/62/79/542966279.db2.gz LJRNSFGKRMQPDK-PWIZWCRZSA-N 1 0 351.454 2.134 50 0 FEAARO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC4CC4)C3)nc2c1 ZINC000095446864 542970329 /nfs/dbraw/zinc/97/03/29/542970329.db2.gz UCSYQELYEMEVNB-UONOGXRCSA-N 1 0 369.469 2.427 50 0 FEAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3N)C2)cc1 ZINC000095504049 542975234 /nfs/dbraw/zinc/97/52/34/542975234.db2.gz PVHVDMQTQNETOJ-QGZVFWFLSA-N 1 0 368.481 2.243 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](CC)n1cccn1)CC2 ZINC000095531098 542983193 /nfs/dbraw/zinc/98/31/93/542983193.db2.gz LIZDBPXAYYKPRE-QGZVFWFLSA-N 1 0 370.501 2.343 50 0 FEAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000095972604 542985227 /nfs/dbraw/zinc/98/52/27/542985227.db2.gz OPRBUQVALANCTE-SECBINFHSA-N 1 0 362.295 2.446 50 0 FEAARO CN1CCN(c2ccc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)cc2)C1=O ZINC000095522633 542979716 /nfs/dbraw/zinc/97/97/16/542979716.db2.gz GVTMXUOHAWNYLC-DOTOQJQBSA-N 1 0 357.458 2.259 50 0 FEAARO Cc1csc2c1ncnc2N1CCC([NH2+]CCOc2nonc2C)CC1 ZINC000095527228 542980665 /nfs/dbraw/zinc/98/06/65/542980665.db2.gz DHDJYQKZNBKRPU-UHFFFAOYSA-N 1 0 374.470 2.329 50 0 FEAARO CCc1cc(N2CCC([NH2+]C[C@H](O)c3cccc(O)c3)CC2)nc(C)n1 ZINC000096162872 542994252 /nfs/dbraw/zinc/99/42/52/542994252.db2.gz UGAQAGVIUNGSDT-IBGZPJMESA-N 1 0 356.470 2.345 50 0 FEAARO O=C(c1cccc(-n2cccn2)c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000077377727 221615823 /nfs/dbraw/zinc/61/58/23/221615823.db2.gz XOISACCAYYZQLI-IBGZPJMESA-N 1 0 354.454 2.199 50 0 FEAARO COCc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)o1 ZINC000095354870 221855051 /nfs/dbraw/zinc/85/50/51/221855051.db2.gz BQYLSKLFNDSUPE-OAHLLOKOSA-N 1 0 360.458 2.204 50 0 FEAARO C[C@@H](Cn1cccn1)C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095363788 221864373 /nfs/dbraw/zinc/86/43/73/221864373.db2.gz SQHGHQOHKIFARP-KRWDZBQOSA-N 1 0 372.517 2.074 50 0 FEAARO C[NH+](C)CCN1C(=O)CC[C@H]1CCNC(=O)Nc1ccc2[nH]ccc2c1 ZINC000096131920 222036377 /nfs/dbraw/zinc/03/63/77/222036377.db2.gz OJLFZSFVZRTGGG-INIZCTEOSA-N 1 0 357.458 2.232 50 0 FEAARO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000097163855 222166523 /nfs/dbraw/zinc/16/65/23/222166523.db2.gz VRPOGYMMCDCTLE-OAHLLOKOSA-N 1 0 368.481 2.337 50 0 FEAARO OC1(Cn2ccnc2)CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000097634907 222200558 /nfs/dbraw/zinc/20/05/58/222200558.db2.gz QDNSUFYTGAKGFX-UHFFFAOYSA-N 1 0 355.417 2.235 50 0 FEAARO Cc1[nH]c(=O)c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(C)c1Cl ZINC000097657316 222202761 /nfs/dbraw/zinc/20/27/61/222202761.db2.gz GBGVZXQOVBLPQV-UHFFFAOYSA-N 1 0 374.872 2.435 50 0 FEAARO O=S(=O)(N1CCCCC1)N1CCC[N@H+](C/C=C/c2ccccc2)CC1 ZINC000097657107 222203226 /nfs/dbraw/zinc/20/32/26/222203226.db2.gz HCVFBOBKIFXFHW-YRNVUSSQSA-N 1 0 363.527 2.438 50 0 FEAARO O=C(CCNC(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1)Nc1ccccc1 ZINC000097766700 222211569 /nfs/dbraw/zinc/21/15/69/222211569.db2.gz HDENSYFCVXSBDI-MRXNPFEDSA-N 1 0 359.470 2.022 50 0 FEAARO C[NH+](C)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000097813638 222214859 /nfs/dbraw/zinc/21/48/59/222214859.db2.gz PAXXBKGMBACQJY-INIZCTEOSA-N 1 0 370.478 2.336 50 0 FEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(OCC)cc2)C1 ZINC000102402852 222295043 /nfs/dbraw/zinc/29/50/43/222295043.db2.gz UWOQFBPMANMXKP-CVEARBPZSA-N 1 0 351.443 2.100 50 0 FEAARO CC(=O)Nc1ccc(C[N@H+]2C[C@H]3[C@H](C(=O)NCc4cccnc4)[C@H]3C2)cc1 ZINC000102514983 222297565 /nfs/dbraw/zinc/29/75/65/222297565.db2.gz IMFNFPQDZOGMRQ-PMOLBWCYSA-N 1 0 364.449 2.034 50 0 FEAARO CCOc1ccc(CN2CCN(Cc3cn(C)nc3C)C[C@H]2CCO)cc1 ZINC000104472462 222357322 /nfs/dbraw/zinc/35/73/22/222357322.db2.gz RRBKUASFWFTUEJ-HXUWFJFHSA-N 1 0 372.513 2.196 50 0 FEAARO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2CCO)c(C)c1C ZINC000105625311 222372473 /nfs/dbraw/zinc/37/24/73/222372473.db2.gz MERIJYBUZMBWAO-HXUWFJFHSA-N 1 0 362.514 2.360 50 0 FEAARO COc1cccc2ccc(CN3CC[N@H+](C)[C@@]4(C3)CCNC(=O)CC4)nc21 ZINC000107400237 222394244 /nfs/dbraw/zinc/39/42/44/222394244.db2.gz HWDPUOUOHUJYNT-OAQYLSRUSA-N 1 0 368.481 2.030 50 0 FEAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1n[nH]c(=O)c2ccccc21 ZINC000007118869 263349175 /nfs/dbraw/zinc/34/91/75/263349175.db2.gz IQBAEUPSTTZKQH-UHFFFAOYSA-N 1 0 362.433 2.449 50 0 FEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCc1c[nH]c2ccccc12 ZINC000426358265 263563619 /nfs/dbraw/zinc/56/36/19/263563619.db2.gz HSMKELUJMDYQID-MRXNPFEDSA-N 1 0 351.454 2.190 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000426503952 263612142 /nfs/dbraw/zinc/61/21/42/263612142.db2.gz GJIJOJCWKICVTL-NRFANRHFSA-N 1 0 364.449 2.369 50 0 FEAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000048686458 324670441 /nfs/dbraw/zinc/67/04/41/324670441.db2.gz OFNKUTFPFHLBJX-AWEZNQCLSA-N 1 0 353.875 2.419 50 0 FEAARO NC(=O)COc1cccc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000172103763 327181025 /nfs/dbraw/zinc/18/10/25/327181025.db2.gz ZYVVJKDNFUMLEH-QGZVFWFLSA-N 1 0 365.433 2.176 50 0 FEAARO COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000299783724 533976013 /nfs/dbraw/zinc/97/60/13/533976013.db2.gz XUXCFJXEBXMCPR-MOPGFXCFSA-N 1 0 352.434 2.162 50 0 FEAARO Cc1cc(CN(C)C(=O)C[C@@H](C[NH3+])CO)cc(C)c1OCC(F)(F)F ZINC000328596865 534161401 /nfs/dbraw/zinc/16/14/01/534161401.db2.gz AZDACNHSPRHGIH-AWEZNQCLSA-N 1 0 362.392 2.160 50 0 FEAARO CC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 ZINC000082108117 518335362 /nfs/dbraw/zinc/33/53/62/518335362.db2.gz IDBRQLPYPSBNCN-NRFANRHFSA-N 1 0 358.482 2.476 50 0 FEAARO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(=O)N1CCOCC1 ZINC000249473496 518852386 /nfs/dbraw/zinc/85/23/86/518852386.db2.gz UYQJKALCLDORRH-BBWFWOEESA-N 1 0 366.502 2.210 50 0 FEAARO CC(C)n1cnnc1CCNc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000082156195 520054281 /nfs/dbraw/zinc/05/42/81/520054281.db2.gz LRXRUNGWMZPKEP-UHFFFAOYSA-N 1 0 364.457 2.011 50 0 FEAARO CCCOc1c(Br)cc(C(=O)N2CC[C@H]([NH3+])C2)cc1OC ZINC000152334418 520290202 /nfs/dbraw/zinc/29/02/02/520290202.db2.gz AGJXMCUFRHABLB-NSHDSACASA-N 1 0 357.248 2.420 50 0 FEAARO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC000178989225 522090623 /nfs/dbraw/zinc/09/06/23/522090623.db2.gz WFXITDRJXVCAQS-GHMZBOCLSA-N 1 0 359.239 2.423 50 0 FEAARO CCc1c(C(=O)N2CC[C@H](C[NH2+]C)C2)nnn1-c1ccc(OC(C)C)cc1 ZINC000179028325 523688959 /nfs/dbraw/zinc/68/89/59/523688959.db2.gz PBQOXRNJKCEMCV-OAHLLOKOSA-N 1 0 371.485 2.298 50 0 FEAARO C[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000252467604 523842970 /nfs/dbraw/zinc/84/29/70/523842970.db2.gz VGKKELZSWMMUAW-KGLIPLIRSA-N 1 0 352.429 2.185 50 0 FEAARO Cc1ccc(C)c(C[NH+]2CCC(CNS(=O)(=O)c3c[nH]cn3)CC2)c1 ZINC000015731695 524102053 /nfs/dbraw/zinc/10/20/53/524102053.db2.gz KWXYOQVMHCCJPW-UHFFFAOYSA-N 1 0 362.499 2.217 50 0 FEAARO COc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020726926 524681021 /nfs/dbraw/zinc/68/10/21/524681021.db2.gz YSQWVHVGQQWDNT-IBGZPJMESA-N 1 0 356.466 2.253 50 0 FEAARO C[C@@H]1CN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000153261202 524877773 /nfs/dbraw/zinc/87/77/73/524877773.db2.gz USRYMLBVXXGGOR-HZPDHXFCSA-N 1 0 372.490 2.483 50 0 FEAARO Cc1ccccc1SCC(=O)N1CCN([C@H]2C[NH+]3CCC2CC3)CC1 ZINC000299755171 534832898 /nfs/dbraw/zinc/83/28/98/534832898.db2.gz CUUAUJSPVHLGCO-SFHVURJKSA-N 1 0 359.539 2.326 50 0 FEAARO Cc1nc(CCNC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)sc1Cl ZINC000244633096 526825664 /nfs/dbraw/zinc/82/56/64/526825664.db2.gz FWLZBWJUIHAFLL-PHIMTYICSA-N 1 0 368.894 2.111 50 0 FEAARO CC(=O)c1c(C)nn(CCC(=O)NC2CC[NH+](Cc3ccco3)CC2)c1C ZINC000299763682 527171976 /nfs/dbraw/zinc/17/19/76/527171976.db2.gz ZIWYLYBLSBTIPX-UHFFFAOYSA-N 1 0 372.469 2.466 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000158182365 527400078 /nfs/dbraw/zinc/40/00/78/527400078.db2.gz QSBMQOGIUVFCAP-INIZCTEOSA-N 1 0 350.422 2.477 50 0 FEAARO CC(C)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)ncn3C)C[C@@H]1CCO ZINC000299773572 527998162 /nfs/dbraw/zinc/99/81/62/527998162.db2.gz DKENRURMOHLFJJ-INIZCTEOSA-N 1 0 359.474 2.130 50 0 FEAARO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)o1 ZINC000042481079 535601833 /nfs/dbraw/zinc/60/18/33/535601833.db2.gz KPMNEICLSRLTOF-UHFFFAOYSA-N 1 0 372.469 2.283 50 0 FEAARO C[N@H+](CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCc2ccccc21 ZINC000026915770 536303662 /nfs/dbraw/zinc/30/36/62/536303662.db2.gz YTMAFFJNZRXANE-LJQANCHMSA-N 1 0 365.481 2.135 50 0 FEAARO COc1ccc(-c2ccc3ncnc(N4CC[NH+](C)CC4)c3c2)c(OC)n1 ZINC000096139498 536896849 /nfs/dbraw/zinc/89/68/49/536896849.db2.gz MFDVCNADXGPROU-UHFFFAOYSA-N 1 0 365.437 2.461 50 0 FEAARO O=C(Cc1cn2ccsc2n1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000176623087 546468130 /nfs/dbraw/zinc/46/81/30/546468130.db2.gz OSNVCFWGYKTYAL-UHFFFAOYSA-N 1 0 355.467 2.114 50 0 FEAARO C[C@@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)CC[NH2+]1 ZINC000188396635 548279513 /nfs/dbraw/zinc/27/95/13/548279513.db2.gz OFSCQHWRTDIJBH-SECBINFHSA-N 1 0 373.766 2.373 50 0 FEAARO CC(C)N1CCC[C@@H]([N@H+](C)C2CCN(CCc3ccccn3)CC2)C1=O ZINC000192614747 548367958 /nfs/dbraw/zinc/36/79/58/548367958.db2.gz PGOFXIJWRKKSGV-HXUWFJFHSA-N 1 0 358.530 2.420 50 0 FEAARO Cc1cc(C)c(C[NH+]2CCC(C)CC2)cc1CN1CCO[C@@H](C(N)=O)C1 ZINC000214976255 548668556 /nfs/dbraw/zinc/66/85/56/548668556.db2.gz CRGHPZKYTDOCKH-HXUWFJFHSA-N 1 0 359.514 2.221 50 0 FEAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000215300729 548671711 /nfs/dbraw/zinc/67/17/11/548671711.db2.gz VTZNYURJBSCSNY-SFHVURJKSA-N 1 0 364.453 2.218 50 0 FEAARO CCn1ccc2c1cccc2C[NH+]1CCC2(CC1)N=C(N(C)C)NC2=O ZINC000216099967 548676046 /nfs/dbraw/zinc/67/60/46/548676046.db2.gz HZVDOFBRQKAIDI-UHFFFAOYSA-N 1 0 353.470 2.043 50 0 FEAARO CC(=O)N1CCC[N@H+](Cc2ccccc2OCCCn2ccnc2)CC1 ZINC000216196916 548676266 /nfs/dbraw/zinc/67/62/66/548676266.db2.gz CCDPUDBXXFHZCC-UHFFFAOYSA-N 1 0 356.470 2.406 50 0 FEAARO Cn1c2ccccc2c2cc(CC(=O)NCC[NH+]3CCC(O)CC3)ccc21 ZINC000219368533 548693622 /nfs/dbraw/zinc/69/36/22/548693622.db2.gz FNSZPSIQWPGWIQ-UHFFFAOYSA-N 1 0 365.477 2.447 50 0 FEAARO O=C(N[C@@H]1COCC[C@@H]1OCc1ccccn1)C1([NH+]2CCCC2)CCCC1 ZINC000219704278 548696928 /nfs/dbraw/zinc/69/69/28/548696928.db2.gz CLPHBTOBZVPXRE-MOPGFXCFSA-N 1 0 373.497 2.281 50 0 FEAARO Cc1nccn1CC[C@@H](NC(=O)CCN1CCOCC1)c1ccccc1 ZINC000221257083 548703714 /nfs/dbraw/zinc/70/37/14/548703714.db2.gz JXCBMHZEDLXXJP-LJQANCHMSA-N 1 0 356.470 2.161 50 0 FEAARO OCc1ccc(O[C@@H]2CCOC[C@H]2[NH2+]C2CSCCSC2)cc1 ZINC000222249694 548706712 /nfs/dbraw/zinc/70/67/12/548706712.db2.gz FSMPURRVAJCRDE-IAGOWNOFSA-N 1 0 355.525 2.153 50 0 FEAARO COc1ccc([C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223310025 548718060 /nfs/dbraw/zinc/71/80/60/548718060.db2.gz ZYZCCMZRGBADSP-IEZWGBDMSA-N 1 0 361.486 2.139 50 0 FEAARO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237089797 548798788 /nfs/dbraw/zinc/79/87/88/548798788.db2.gz LTRHVEJAQMPHJA-CZUORRHYSA-N 1 0 351.878 2.120 50 0 FEAARO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)c(Br)cc2C)CC1 ZINC000237100051 548800218 /nfs/dbraw/zinc/80/02/18/548800218.db2.gz BUWPRIBEPQXACP-UHFFFAOYSA-N 1 0 361.305 2.438 50 0 FEAARO [NH3+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000238036509 548873336 /nfs/dbraw/zinc/87/33/36/548873336.db2.gz YUXGUZOIKLAIFN-UHFFFAOYSA-N 1 0 367.696 2.462 50 0 FEAARO CCNC(=O)c1ccccc1OCc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000240517169 548884561 /nfs/dbraw/zinc/88/45/61/548884561.db2.gz NWDKLXQGJJFWPI-BETUJISGSA-N 1 0 355.442 2.146 50 0 FEAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](CCCn2cnnn2)CC1 ZINC000244742050 548894048 /nfs/dbraw/zinc/89/40/48/548894048.db2.gz OBDQXPBQUFRRTR-UHFFFAOYSA-N 1 0 355.364 2.066 50 0 FEAARO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000244884061 548898397 /nfs/dbraw/zinc/89/83/97/548898397.db2.gz YELAMWXLTOLCFX-UHFFFAOYSA-N 1 0 371.481 2.187 50 0 FEAARO O=C(Cn1nc2ccccc2n1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244899957 548899385 /nfs/dbraw/zinc/89/93/85/548899385.db2.gz ZTOQSPZYMREJSK-GOSISDBHSA-N 1 0 363.465 2.460 50 0 FEAARO Cc1cccc(Cn2nc(C[NH2+]CCOCCO)c(-c3ccccc3)n2)c1 ZINC000247892744 549390914 /nfs/dbraw/zinc/39/09/14/549390914.db2.gz GDWCAWIQUMIPSW-UHFFFAOYSA-N 1 0 366.465 2.400 50 0 FEAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@H]3C(=O)NCC[C@@H]3C)cc2)C1 ZINC000249554374 549604473 /nfs/dbraw/zinc/60/44/73/549604473.db2.gz LPNMDWJLJJQHOW-JTDSTZFVSA-N 1 0 372.513 2.242 50 0 FEAARO Cc1c[nH]c(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)c(C)c1=O ZINC000253536705 549691408 /nfs/dbraw/zinc/69/14/08/549691408.db2.gz LJWQOSWFAFLNMV-UHFFFAOYSA-N 1 0 361.486 2.255 50 0 FEAARO O=S(=O)(c1cccs1)N1CCC2(CC[C@@H]2N2CCOCC2)CC1 ZINC000257181025 549712858 /nfs/dbraw/zinc/71/28/58/549712858.db2.gz FBONBQOUHZSFBI-AWEZNQCLSA-N 1 0 356.513 2.014 50 0 FEAARO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccs3)C2)cc2c(=O)[nH]nc1-2 ZINC000263587222 549911164 /nfs/dbraw/zinc/91/11/64/549911164.db2.gz DPIDDFZPFRUEGZ-GFCCVEGCSA-N 1 0 372.450 2.361 50 0 FEAARO C[C@H](c1ccccc1)[C@@](C)(O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000279154211 550859694 /nfs/dbraw/zinc/85/96/94/550859694.db2.gz DVPVPQPMYYRQTI-CBGDNZLLSA-N 1 0 360.498 2.253 50 0 FEAARO CN1CCC([N@@H+]2C[C@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000409420260 558690918 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CC(C)[C@H](C(=O)Nc1ccc(N(C)CCO)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000222045717 568490859 /nfs/dbraw/zinc/49/08/59/568490859.db2.gz NGGIZWGYZOFUBO-JTDSTZFVSA-N 1 0 363.502 2.187 50 0 FEAARO COc1cn(CC(=O)NCc2ccccc2)c(C[NH+]2CCCCC2)cc1=O ZINC000046053274 570921924 /nfs/dbraw/zinc/92/19/24/570921924.db2.gz XDZDFVLUOIVHIP-UHFFFAOYSA-N 1 0 369.465 2.159 50 0 FEAARO CCOC(=O)c1c(C)c(CCC(=O)NCC[NH+]2CCCCC2)c(C)n1C ZINC000046046617 570923009 /nfs/dbraw/zinc/92/30/09/570923009.db2.gz POQCLBRIYXDOJC-UHFFFAOYSA-N 1 0 363.502 2.353 50 0 FEAARO CC[C@H](CNC(=O)CN(C)C(=O)c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000046246522 571068477 /nfs/dbraw/zinc/06/84/77/571068477.db2.gz VADUYEAPTQAYKZ-GOSISDBHSA-N 1 0 369.465 2.305 50 0 FEAARO CCN(CC)S(=O)(=O)c1c(C)nn(CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000084773529 571099735 /nfs/dbraw/zinc/09/97/35/571099735.db2.gz ZSNYGZBIXVOCPZ-MRXNPFEDSA-N 1 0 356.536 2.405 50 0 FEAARO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000685943143 571103664 /nfs/dbraw/zinc/10/36/64/571103664.db2.gz XASMQVYLHSQSSR-MRXNPFEDSA-N 1 0 356.474 2.204 50 0 FEAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)C1(c2ccccc2)CCOCC1 ZINC000575605304 571163440 /nfs/dbraw/zinc/16/34/40/571163440.db2.gz CXVUZDDMXCDYDH-HXUWFJFHSA-N 1 0 372.509 2.352 50 0 FEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)N1CCOc2ccc(Cl)cc2C1 ZINC000426419667 571222318 /nfs/dbraw/zinc/22/23/18/571222318.db2.gz CLGDKRCWMJUULG-AWEZNQCLSA-N 1 0 374.872 2.425 50 0 FEAARO Cc1cc(C)n(CCNC(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000426423282 571223636 /nfs/dbraw/zinc/22/36/36/571223636.db2.gz DRHQENWGTPFOIJ-LJQANCHMSA-N 1 0 355.486 2.198 50 0 FEAARO CNC(=O)c1ccc(OC)c(NC(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000426431409 571224917 /nfs/dbraw/zinc/22/49/17/571224917.db2.gz UWGUGRSZHUSGQR-CYBMUJFWSA-N 1 0 360.458 2.145 50 0 FEAARO COC(=O)c1cc(F)c(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)cc1OC ZINC000584886602 571313907 /nfs/dbraw/zinc/31/39/07/571313907.db2.gz QZQNQDWBLMFKQH-CQSZACIVSA-N 1 0 372.396 2.461 50 0 FEAARO COCCn1cncc1CNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000670449233 571352104 /nfs/dbraw/zinc/35/21/04/571352104.db2.gz VXPRSJSIZCYRDH-UHFFFAOYSA-N 1 0 356.470 2.025 50 0 FEAARO CN(Cc1ccccc1)S(=O)(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000670444291 679284205 /nfs/dbraw/zinc/28/42/05/679284205.db2.gz BYIWVPRXRGZZRZ-ZWKOTPCHSA-N 1 0 351.516 2.217 50 0 FEAARO CC[NH+]1CCN(CC(=O)NCc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000952972895 681793695 /nfs/dbraw/zinc/79/36/95/681793695.db2.gz HHCHUHGNLQDFPC-UHFFFAOYSA-N 1 0 362.861 2.249 50 0 FEAARO Cc1ccccc1-n1c(SCC[NH2+]CCO)nnc1-c1cccnc1 ZINC000002639016 539349712 /nfs/dbraw/zinc/34/97/12/539349712.db2.gz NWHQSUYOOPOATH-UHFFFAOYSA-N 1 0 355.467 2.312 50 0 FEAARO CCCCn1nc(CC(=O)NCC[NH+](CC)CC)c2ccccc2c1=O ZINC000002193263 539345927 /nfs/dbraw/zinc/34/59/27/539345927.db2.gz JFQJAIDBPWDLTD-UHFFFAOYSA-N 1 0 358.486 2.197 50 0 FEAARO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000002776659 539352615 /nfs/dbraw/zinc/35/26/15/539352615.db2.gz KFEAUQATQOQTCR-JTQLQIEISA-N 1 0 350.772 2.170 50 0 FEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000006580052 539430892 /nfs/dbraw/zinc/43/08/92/539430892.db2.gz XBTOPLDSWOYVBA-UHFFFAOYSA-N 1 0 353.488 2.060 50 0 FEAARO Cc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)cc1S(=O)(=O)N(C)C ZINC000006602881 539431444 /nfs/dbraw/zinc/43/14/44/539431444.db2.gz BAVXNLXBNGILEJ-UHFFFAOYSA-N 1 0 367.515 2.448 50 0 FEAARO COc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000006810076 539437898 /nfs/dbraw/zinc/43/78/98/539437898.db2.gz LVTORQWDLQDFPL-UHFFFAOYSA-N 1 0 368.499 2.343 50 0 FEAARO CC[NH+](CC)CCCN(C)C(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937804 539442174 /nfs/dbraw/zinc/44/21/74/539442174.db2.gz OMOPCBKRLOAWAQ-UHFFFAOYSA-N 1 0 369.469 2.068 50 0 FEAARO O=C(Cn1cnc2sccc2c1=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008724237 539490426 /nfs/dbraw/zinc/49/04/26/539490426.db2.gz LFDSFRHMCJIAFF-AWEZNQCLSA-N 1 0 372.450 2.004 50 0 FEAARO CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCC[N@H+](C)CC2)nc1 ZINC000008755792 539491938 /nfs/dbraw/zinc/49/19/38/539491938.db2.gz PMYXLXGKSDRVDC-UHFFFAOYSA-N 1 0 354.520 2.031 50 0 FEAARO O=C(NCc1cccs1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864245 539493873 /nfs/dbraw/zinc/49/38/73/539493873.db2.gz KNYVSDNPLKIJFU-OAHLLOKOSA-N 1 0 363.508 2.379 50 0 FEAARO CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCC[NH+](CC)CC ZINC000010216772 539514476 /nfs/dbraw/zinc/51/44/76/539514476.db2.gz VICDMMBJUSGSKY-UHFFFAOYSA-N 1 0 364.515 2.019 50 0 FEAARO COc1ccc(C(=O)Nc2ccccc2C(=O)NCC[NH+](C)C)cc1OC ZINC000010312695 539515302 /nfs/dbraw/zinc/51/53/02/539515302.db2.gz WIJPVYRAPPIEEG-UHFFFAOYSA-N 1 0 371.437 2.248 50 0 FEAARO Cc1occc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011933660 539538483 /nfs/dbraw/zinc/53/84/83/539538483.db2.gz SNEGYKUDFXWSET-HNNXBMFYSA-N 1 0 359.470 2.183 50 0 FEAARO CC(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000012005566 539540682 /nfs/dbraw/zinc/54/06/82/539540682.db2.gz QKXHWLITTGBWFF-OAQYLSRUSA-N 1 0 371.525 2.458 50 0 FEAARO COc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019771096 539669452 /nfs/dbraw/zinc/66/94/52/539669452.db2.gz PUMDGMAGNLONJV-LJQANCHMSA-N 1 0 356.466 2.253 50 0 FEAARO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000020256905 539673275 /nfs/dbraw/zinc/67/32/75/539673275.db2.gz XTJNADRCIKHDHR-FQEVSTJZSA-N 1 0 372.557 2.376 50 0 FEAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000021794983 539687257 /nfs/dbraw/zinc/68/72/57/539687257.db2.gz CWLCCXVTBOZEBX-UHFFFAOYSA-N 1 0 358.421 2.344 50 0 FEAARO Cc1ccccc1C[NH+]1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 ZINC000022816766 539700921 /nfs/dbraw/zinc/70/09/21/539700921.db2.gz BNCFQGRJFWIOEW-UHFFFAOYSA-N 1 0 355.482 2.389 50 0 FEAARO CCCOc1ccc(S(=O)(=O)NCC2CC[NH+](CCOC)CC2)cc1 ZINC000023127582 539706788 /nfs/dbraw/zinc/70/67/88/539706788.db2.gz NJPCIQFEENTXHW-UHFFFAOYSA-N 1 0 370.515 2.112 50 0 FEAARO OCc1cn(C2CC[NH+](Cc3cccn3-c3ccc(Cl)cn3)CC2)nn1 ZINC000023478838 539714814 /nfs/dbraw/zinc/71/48/14/539714814.db2.gz QGFBGCVESUDBMU-UHFFFAOYSA-N 1 0 372.860 2.447 50 0 FEAARO CCCCc1cc(=O)[nH]c(-c2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000023506291 539715748 /nfs/dbraw/zinc/71/57/48/539715748.db2.gz RIJNIGGUANBTGL-QGZVFWFLSA-N 1 0 368.481 2.477 50 0 FEAARO C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1=O ZINC000025331730 539756114 /nfs/dbraw/zinc/75/61/14/539756114.db2.gz HNQCHDPVVMODHL-CZUORRHYSA-N 1 0 373.478 2.281 50 0 FEAARO COC(=O)c1ccc(OC[C@@H](O)C[n+]2cn(C)c3cc(C)c(C)cc32)cc1 ZINC000000781074 219320764 /nfs/dbraw/zinc/32/07/64/219320764.db2.gz QARHOYVWTKFBOA-KRWDZBQOSA-N 1 0 369.441 2.309 50 0 FEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)ncn(-c1cccc(Cl)c1)c2=O ZINC000031813103 539920191 /nfs/dbraw/zinc/92/01/91/539920191.db2.gz IXOLOYMUOZHPDS-UHFFFAOYSA-N 1 0 370.840 2.331 50 0 FEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)C1 ZINC000032268459 539932545 /nfs/dbraw/zinc/93/25/45/539932545.db2.gz ATQGFJPLMJIXNO-AWEZNQCLSA-N 1 0 368.861 2.198 50 0 FEAARO COc1ccc([C@H](CNC(=O)c2cnn(C)c2-n2cccc2)[NH+](C)C)cc1 ZINC000032202066 539930683 /nfs/dbraw/zinc/93/06/83/539930683.db2.gz RRBFNMKDMRDNQT-SFHVURJKSA-N 1 0 367.453 2.252 50 0 FEAARO COc1ccc([C@@H](CNc2ccc3nnnn3n2)[NH+]2CCCCC2)cc1 ZINC000032871798 539957022 /nfs/dbraw/zinc/95/70/22/539957022.db2.gz AUOGWWHHSCMHEM-MRXNPFEDSA-N 1 0 353.430 2.167 50 0 FEAARO Cc1ccccc1N1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000032863557 539956230 /nfs/dbraw/zinc/95/62/30/539956230.db2.gz RRCSOQNAOPONHD-LJQANCHMSA-N 1 0 374.529 2.183 50 0 FEAARO CC(C)CCN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1 ZINC000033032526 539964437 /nfs/dbraw/zinc/96/44/37/539964437.db2.gz HKNYXEMIJSXUKK-UHFFFAOYSA-N 1 0 351.878 2.260 50 0 FEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000225566361 222850317 /nfs/dbraw/zinc/85/03/17/222850317.db2.gz OBIACOICIURIGV-UHFFFAOYSA-N 1 0 361.442 2.428 50 0 FEAARO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCC(C)C)cc1 ZINC000036101699 539987344 /nfs/dbraw/zinc/98/73/44/539987344.db2.gz TZNZGTRJRXBREU-NRFANRHFSA-N 1 0 364.530 2.163 50 0 FEAARO COCC[NH+]1CCC(CNC(=O)Nc2cccc(OC)c2OC)CC1 ZINC000038489562 539998928 /nfs/dbraw/zinc/99/89/28/539998928.db2.gz NZWWDTUATBBPBS-UHFFFAOYSA-N 1 0 351.447 2.184 50 0 FEAARO CSc1nn(CC[NH+](C)C)c2nc3sc4c(c3c(=O)n12)CCCC4 ZINC000040287435 540009266 /nfs/dbraw/zinc/00/92/66/540009266.db2.gz OAQDUAONJDHZFM-UHFFFAOYSA-N 1 0 363.512 2.268 50 0 FEAARO CC1(C)CC(NC(=O)C(=O)NCCc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000002472614 219446257 /nfs/dbraw/zinc/44/62/57/219446257.db2.gz TYJLEFUSUFVKJU-UHFFFAOYSA-N 1 0 365.905 2.424 50 0 FEAARO Cc1ccc(NC(=O)COc2ccc(C[NH2+]CCOCCO)cc2)cc1 ZINC000040733141 540011387 /nfs/dbraw/zinc/01/13/87/540011387.db2.gz UEXWDIVCOZQGRG-UHFFFAOYSA-N 1 0 358.438 2.111 50 0 FEAARO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040743844 540011510 /nfs/dbraw/zinc/01/15/10/540011510.db2.gz ZMCVZFBSEHHWJY-HNNXBMFYSA-N 1 0 358.438 2.492 50 0 FEAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)no1 ZINC000043941068 540115746 /nfs/dbraw/zinc/11/57/46/540115746.db2.gz WPMPLIDNJDGFND-UHFFFAOYSA-N 1 0 374.441 2.160 50 0 FEAARO Cc1ccc(N2C[C@@H](NC(=O)N(C)C3CC[NH+](C)CC3)CC2=O)cc1C ZINC000004373176 219571194 /nfs/dbraw/zinc/57/11/94/219571194.db2.gz DJDFHKVJPZXTOW-INIZCTEOSA-N 1 0 358.486 2.144 50 0 FEAARO OCC[NH2+]CCCNCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000261491777 223074513 /nfs/dbraw/zinc/07/45/13/223074513.db2.gz JAWFTQXGHFFDJX-UHFFFAOYSA-N 1 0 365.481 2.055 50 0 FEAARO [NH3+][C@@H]1C[C@@H](C(=O)NCc2cccnc2)N(Cc2ccc3ccccc3c2)C1 ZINC000299756811 223081879 /nfs/dbraw/zinc/08/18/79/223081879.db2.gz FZPCVRKNSQDERX-RTWAWAEBSA-N 1 0 360.461 2.453 50 0 FEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1nc2ccc(Cl)cn2c1F ZINC000299774188 223090796 /nfs/dbraw/zinc/09/07/96/223090796.db2.gz DUWLREIBFUJTBY-CYBMUJFWSA-N 1 0 368.840 2.310 50 0 FEAARO Cn1cnc2cc(C(=O)N[C@@H]3CCC[N@@H+](C4CCCCC4)C3)ccc2c1=O ZINC000299774120 223090982 /nfs/dbraw/zinc/09/09/82/223090982.db2.gz ANUFANWGKDUKCG-MRXNPFEDSA-N 1 0 368.481 2.460 50 0 FEAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1C[C@@H]1COc2ccccc2O1 ZINC000299781476 223095329 /nfs/dbraw/zinc/09/53/29/223095329.db2.gz DTVLLQGIOICKPY-QZTJIDSGSA-N 1 0 367.449 2.392 50 0 FEAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000061002643 541124317 /nfs/dbraw/zinc/12/43/17/541124317.db2.gz YHFRKTQLZVHCFT-OAHLLOKOSA-N 1 0 367.902 2.478 50 0 FEAARO O=C(c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1)N1CCSCC1 ZINC000065256129 541230380 /nfs/dbraw/zinc/23/03/80/541230380.db2.gz YGYXTCMESCHVDK-GOSISDBHSA-N 1 0 368.506 2.422 50 0 FEAARO CC(C)C[NH+]1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000067265249 541436892 /nfs/dbraw/zinc/43/68/92/541436892.db2.gz RONHKJHUWHIXHO-UHFFFAOYSA-N 1 0 357.458 2.301 50 0 FEAARO Cc1ccc(C)c(C[N@@H+]2C[C@H]3OC(=O)N(CCCN4CCOCC4)[C@H]3C2)c1 ZINC000067540825 541477154 /nfs/dbraw/zinc/47/71/54/541477154.db2.gz PMSMEEHJACKHIB-VQTJNVASSA-N 1 0 373.497 2.031 50 0 FEAARO CC(C)c1noc(Cn2nc([C@@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)n1 ZINC000072138808 541786425 /nfs/dbraw/zinc/78/64/25/541786425.db2.gz SWITXOFCADWIEE-CQSZACIVSA-N 1 0 368.441 2.056 50 0 FEAARO C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1CC1(O)CC[NH+](C)CC1 ZINC000072147516 541788773 /nfs/dbraw/zinc/78/87/73/541788773.db2.gz SRZPBJVADGEXQT-HNNXBMFYSA-N 1 0 357.454 2.415 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cccc(OCCN3CCOCC3)c2)C1 ZINC000072149362 541789120 /nfs/dbraw/zinc/78/91/20/541789120.db2.gz HPKBLLIIEVSFNA-LJQANCHMSA-N 1 0 373.541 2.456 50 0 FEAARO Cc1ccccc1-c1cccc(C(=O)N2CCO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC000072149607 541789139 /nfs/dbraw/zinc/78/91/39/541789139.db2.gz GJVQSPJEOYRKSW-QFIPXVFZSA-N 1 0 366.461 2.493 50 0 FEAARO Cc1nc2cc(C)ccn2c1C(=O)N1CCC[C@H](N(C)CCC[NH+](C)C)C1 ZINC000072150387 541789983 /nfs/dbraw/zinc/78/99/83/541789983.db2.gz FCRSAAXNWBPIAD-SFHVURJKSA-N 1 0 371.529 2.439 50 0 FEAARO COc1ccccc1[C@@H]1CN(c2nccc(N)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156506 541791536 /nfs/dbraw/zinc/79/15/36/541791536.db2.gz WZTLTMPWBYOQJN-KFKAGJAMSA-N 1 0 351.454 2.134 50 0 FEAARO O=C(CCn1nnc(-c2ccccc2)n1)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072165759 541794420 /nfs/dbraw/zinc/79/44/20/541794420.db2.gz AFIGGVMIAMNWEW-MSOLQXFVSA-N 1 0 368.485 2.300 50 0 FEAARO CCC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)NCCc1ccccc1)C2 ZINC000072167800 541794847 /nfs/dbraw/zinc/79/48/47/541794847.db2.gz NDGZPOHHNCZKJS-UHFFFAOYSA-N 1 0 355.486 2.493 50 0 FEAARO Nc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccn2)C1 ZINC000072426379 541811107 /nfs/dbraw/zinc/81/11/07/541811107.db2.gz LQHOJTLZKOKKRB-QFBILLFUSA-N 1 0 365.481 2.114 50 0 FEAARO CCc1nc(CCNc2nc(-c3ccco3)nc3c2CC[NH2+]CC3)no1 ZINC000072426191 541811309 /nfs/dbraw/zinc/81/13/09/541811309.db2.gz NHDLSWQLONIGEG-UHFFFAOYSA-N 1 0 354.414 2.025 50 0 FEAARO O=c1cc(CN2CCOCC2)occ1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072410404 541807432 /nfs/dbraw/zinc/80/74/32/541807432.db2.gz MEHLETJYXRZVHM-FUHWJXTLSA-N 1 0 362.470 2.115 50 0 FEAARO CS(=O)(=O)c1cnc(NCCCc2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000072428048 541811886 /nfs/dbraw/zinc/81/18/86/541811886.db2.gz OQRLRZYJTVZEHX-INIZCTEOSA-N 1 0 374.510 2.392 50 0 FEAARO C[C@H](c1ccc(-n2cncn2)cc1)n1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072431103 541812769 /nfs/dbraw/zinc/81/27/69/541812769.db2.gz NZZTUZUMBPJONJ-CQSZACIVSA-N 1 0 360.425 2.040 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072438839 541815085 /nfs/dbraw/zinc/81/50/85/541815085.db2.gz KRMITYLSLRJIEQ-KRWDZBQOSA-N 1 0 373.476 2.166 50 0 FEAARO CN1CCC(CNC(=O)c2ccc(CCC(C)(C)O)cc2)([NH+](C)C)CC1 ZINC000072457290 541816961 /nfs/dbraw/zinc/81/69/61/541816961.db2.gz SAFSNPQVDHRSMS-UHFFFAOYSA-N 1 0 361.530 2.146 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072463442 541817777 /nfs/dbraw/zinc/81/77/77/541817777.db2.gz CJDAZIQOCBZVTJ-OAQYLSRUSA-N 1 0 362.514 2.309 50 0 FEAARO Cc1cc(C[C@@H](C)Nc2nc(-c3ccco3)nc3c2CC[NH2+]CC3)n[nH]1 ZINC000072477909 541820634 /nfs/dbraw/zinc/82/06/34/541820634.db2.gz OHTQITKWOZYLEJ-GFCCVEGCSA-N 1 0 352.442 2.499 50 0 FEAARO COCCNC(=O)c1cccc(OC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000012587913 220010563 /nfs/dbraw/zinc/01/05/63/220010563.db2.gz ALCQDVGNIBIXPM-MRXNPFEDSA-N 1 0 364.511 2.412 50 0 FEAARO Cc1ncsc1CCC(=O)N[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000012713979 220020828 /nfs/dbraw/zinc/02/08/28/220020828.db2.gz FHQRUOCLQJSMFI-HNNXBMFYSA-N 1 0 350.532 2.059 50 0 FEAARO CN(CCCC[NH+]1CCOCC1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012717517 220021209 /nfs/dbraw/zinc/02/12/09/220021209.db2.gz IUFMXEUHJRSODJ-UHFFFAOYSA-N 1 0 374.441 2.010 50 0 FEAARO Cc1csc2nc(C[N@H+](Cc3ccc(C(N)=O)cc3)C3CC3)cc(=O)n12 ZINC000012910134 220042011 /nfs/dbraw/zinc/04/20/11/220042011.db2.gz STDJAWFMAAJMPN-UHFFFAOYSA-N 1 0 368.462 2.328 50 0 FEAARO O=C(C[C@@H]1Oc2ccccc2NC1=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012974475 220047119 /nfs/dbraw/zinc/04/71/19/220047119.db2.gz WCWCOAFGXMEQGC-QAPCUYQASA-N 1 0 369.421 2.323 50 0 FEAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000014135250 220108921 /nfs/dbraw/zinc/10/89/21/220108921.db2.gz WZGRAPJWPIWQMS-MRXNPFEDSA-N 1 0 358.438 2.021 50 0 FEAARO CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014733512 220130574 /nfs/dbraw/zinc/13/05/74/220130574.db2.gz VXDPUFWFDJMCLG-NHCUHLMSSA-N 1 0 373.541 2.373 50 0 FEAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccco1)CC2 ZINC000014747918 220132559 /nfs/dbraw/zinc/13/25/59/220132559.db2.gz AGIDOKRLYRWKIC-UHFFFAOYSA-N 1 0 354.410 2.103 50 0 FEAARO CCn1nc(C(=O)N(C)Cc2ccco2)c2c1CC[C@H]([N@H+](C)CCOC)C2 ZINC000014744421 220132720 /nfs/dbraw/zinc/13/27/20/220132720.db2.gz PCMZQUYSKCQCEJ-HNNXBMFYSA-N 1 0 374.485 2.204 50 0 FEAARO C[N@@H+](C/C=C/c1ccccc1)CCn1cc(C(=O)N2CCSCC2)nn1 ZINC000014993381 220140087 /nfs/dbraw/zinc/14/00/87/220140087.db2.gz OCKFZIDVYBSKGN-VMPITWQZSA-N 1 0 371.510 2.112 50 0 FEAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCCSC)C2)cc1 ZINC000015063825 220144040 /nfs/dbraw/zinc/14/40/40/220144040.db2.gz NWXGAMRXBMENCM-OAHLLOKOSA-N 1 0 372.556 2.439 50 0 FEAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1ccc2nonc2c1 ZINC000015074507 220145606 /nfs/dbraw/zinc/14/56/06/220145606.db2.gz LTVAYZPTRDGCFQ-HXUWFJFHSA-N 1 0 372.469 2.246 50 0 FEAARO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 ZINC000018935291 220234164 /nfs/dbraw/zinc/23/41/64/220234164.db2.gz BWUNEKUDKHQFCZ-SFHVURJKSA-N 1 0 373.478 2.282 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(N(C)C3CCOCC3)nc2)C1 ZINC000019221635 220240856 /nfs/dbraw/zinc/24/08/56/220240856.db2.gz VYZNIQGHMLZSIY-KRWDZBQOSA-N 1 0 374.529 2.405 50 0 FEAARO C[NH+]1CCN(CCC2N=NC(=S)N2c2ccc(C(F)(F)F)cc2)CC1 ZINC000019362371 220253335 /nfs/dbraw/zinc/25/33/35/220253335.db2.gz RRORGCFOIIUQPO-UHFFFAOYSA-N 1 0 371.432 2.365 50 0 FEAARO COc1ccc([C@H](C[NH2+]Cc2c(N)ncnc2OC)N2CCCC2)cc1 ZINC000075093147 542151477 /nfs/dbraw/zinc/15/14/77/542151477.db2.gz MAMFNVCZNPTTNZ-KRWDZBQOSA-N 1 0 357.458 2.003 50 0 FEAARO CCCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)CC)CC1 ZINC000075530837 542184378 /nfs/dbraw/zinc/18/43/78/542184378.db2.gz GAFVCHJUZJHCJW-HXUWFJFHSA-N 1 0 357.498 2.467 50 0 FEAARO COc1ccccc1Oc1ccccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000299755447 532952548 /nfs/dbraw/zinc/95/25/48/532952548.db2.gz DDPPJJALADUKPZ-HUUCEWRRSA-N 1 0 357.410 2.332 50 0 FEAARO COc1ccccc1Oc1ccc(NC(=O)NC[C@]2(O)CC[NH2+]C2)cc1 ZINC000299790943 532953487 /nfs/dbraw/zinc/95/34/87/532953487.db2.gz BZDQKAVOLRMNRJ-IBGZPJMESA-N 1 0 357.410 2.333 50 0 FEAARO CCOC(=O)CN1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000019867762 220304285 /nfs/dbraw/zinc/30/42/85/220304285.db2.gz QWMSKSVZSMANHM-UXHICEINSA-N 1 0 358.482 2.095 50 0 FEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000020204924 220317708 /nfs/dbraw/zinc/31/77/08/220317708.db2.gz APPHQUKBRPXMLW-KRWDZBQOSA-N 1 0 353.532 2.032 50 0 FEAARO COC[C@H](C)n1c(CCCC(=O)N(C)C2CC[NH2+]CC2)nc2cccnc21 ZINC000077489092 542388233 /nfs/dbraw/zinc/38/82/33/542388233.db2.gz DARYTUIRVJTWFL-HNNXBMFYSA-N 1 0 373.501 2.172 50 0 FEAARO Cc1nn(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(=O)c2ccccc12 ZINC000021302499 220356038 /nfs/dbraw/zinc/35/60/38/220356038.db2.gz HCFHTDMOZXLVKU-INIZCTEOSA-N 1 0 370.478 2.186 50 0 FEAARO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC)CC1 ZINC000022056632 220375143 /nfs/dbraw/zinc/37/51/43/220375143.db2.gz FCJXLDFVMXBQDF-WMZOPIPTSA-N 1 0 361.486 2.492 50 0 FEAARO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000022765403 220396784 /nfs/dbraw/zinc/39/67/84/220396784.db2.gz YEOCRLCVJXMOTJ-IBGZPJMESA-N 1 0 373.522 2.404 50 0 FEAARO COc1ccccc1C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022765563 220397596 /nfs/dbraw/zinc/39/75/96/220397596.db2.gz DEMAVGPJNDWOMW-QGZVFWFLSA-N 1 0 359.495 2.475 50 0 FEAARO CN1C2=C(C(=O)N(CC[NH+]3CCCCC3)C2)[C@@H](c2cccs2)NC1=O ZINC000035590355 220790107 /nfs/dbraw/zinc/79/01/07/220790107.db2.gz GMDQSFDBQYORKK-MRXNPFEDSA-N 1 0 360.483 2.026 50 0 FEAARO CCCCn1c2nc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)n(C)c2c(=O)[nH]c1=O ZINC000049972404 221029459 /nfs/dbraw/zinc/02/94/59/221029459.db2.gz ZTCWNAJGRKEFRZ-HUUCEWRRSA-N 1 0 373.501 2.236 50 0 FEAARO CNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000050029789 221030544 /nfs/dbraw/zinc/03/05/44/221030544.db2.gz XQKPZMSHUWATBA-IBGZPJMESA-N 1 0 351.450 2.327 50 0 FEAARO CCn1nc(C)c(C[N@H+](CCOC)CC(C)(C)CN2CCOCC2)c1C ZINC000055131852 221060012 /nfs/dbraw/zinc/06/00/12/221060012.db2.gz PJVOKYIYZRGTOH-UHFFFAOYSA-N 1 0 366.550 2.327 50 0 FEAARO CSc1ncc(C[NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cn1 ZINC000055154817 221060028 /nfs/dbraw/zinc/06/00/28/221060028.db2.gz NKBXBLHHEMHLLK-INIZCTEOSA-N 1 0 360.458 2.271 50 0 FEAARO CCOc1cccc(OCCN(C)C(=O)C[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000055270643 221064121 /nfs/dbraw/zinc/06/41/21/221064121.db2.gz RIRFDBVGNDTNTF-LJQANCHMSA-N 1 0 364.486 2.422 50 0 FEAARO O=C(CCNC(=O)c1ccc(F)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000053028182 221042187 /nfs/dbraw/zinc/04/21/87/221042187.db2.gz GEZXYAMHGRTECX-UHFFFAOYSA-N 1 0 369.440 2.120 50 0 FEAARO Cc1cc(C(=O)NCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(C)o1 ZINC000055515049 221070347 /nfs/dbraw/zinc/07/03/47/221070347.db2.gz PIXDEHBBKZHBHL-UHFFFAOYSA-N 1 0 369.465 2.361 50 0 FEAARO COc1ccc(C)cc1[C@@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000056398891 221080003 /nfs/dbraw/zinc/08/00/03/221080003.db2.gz VNCJFEDJOGNQIL-QGZVFWFLSA-N 1 0 362.518 2.391 50 0 FEAARO CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000055384080 221068236 /nfs/dbraw/zinc/06/82/36/221068236.db2.gz OWFWCTYOPQXOCC-GOSISDBHSA-N 1 0 353.470 2.456 50 0 FEAARO C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCCCC1 ZINC000058192116 221104116 /nfs/dbraw/zinc/10/41/16/221104116.db2.gz QSNDNMGFCANUHI-UHFFFAOYSA-N 1 0 353.488 2.317 50 0 FEAARO Cc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)n(C)n1 ZINC000058203323 221106351 /nfs/dbraw/zinc/10/63/51/221106351.db2.gz JRDRTGOMGNKXCT-HZPDHXFCSA-N 1 0 356.470 2.268 50 0 FEAARO Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000057568168 221091807 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0 FEAARO CCC1=NO[C@@H](Cn2nc(CC3CC[NH2+]CC3)n(-c3ccccc3)c2=O)C1 ZINC000065398998 221212478 /nfs/dbraw/zinc/21/24/78/221212478.db2.gz FSKGUDOMBNNZLJ-GOSISDBHSA-N 1 0 369.469 2.131 50 0 FEAARO CC[C@H](Sc1nnc(CC2CC[NH2+]CC2)n1C)C(=O)NC1CCCC1 ZINC000065488092 221224646 /nfs/dbraw/zinc/22/46/46/221224646.db2.gz SEBLRBUBNSXOID-HNNXBMFYSA-N 1 0 365.547 2.287 50 0 FEAARO CCn1c(C)nnc1SCCNc1nc(CC[NH3+])nc2ccccc21 ZINC000065490328 221224956 /nfs/dbraw/zinc/22/49/56/221224956.db2.gz UQFSBPIFHRCVQM-UHFFFAOYSA-N 1 0 357.487 2.255 50 0 FEAARO C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000065505145 221228174 /nfs/dbraw/zinc/22/81/74/221228174.db2.gz VGKKELZSWMMUAW-KBPBESRZSA-N 1 0 352.429 2.185 50 0 FEAARO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000079074077 542497890 /nfs/dbraw/zinc/49/78/90/542497890.db2.gz QMNCFBUIJLBRMH-MRXNPFEDSA-N 1 0 358.486 2.438 50 0 FEAARO CC(C)Nc1cc(NCc2cccnc2N2CCC[N@H+](C)CC2)ncn1 ZINC000067726800 221277297 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CC[NH+](CC)Cc1cnc2c(C(=O)Nc3ccc(OC)nc3)cnn2c1 ZINC000067880339 221299505 /nfs/dbraw/zinc/29/95/05/221299505.db2.gz JFGUCJNVQPRSCW-UHFFFAOYSA-N 1 0 354.414 2.227 50 0 FEAARO COc1cc2c(cc1CNc1cc(C3CC[NH2+]CC3)ncn1)OCCO2 ZINC000067872935 221300243 /nfs/dbraw/zinc/30/02/43/221300243.db2.gz TWVROVGSSWKVIR-UHFFFAOYSA-N 1 0 356.426 2.336 50 0 FEAARO CSc1ccc2cc(C[N@H+](C)CC3(CO)CCOCC3)c(=O)[nH]c2c1 ZINC000067921185 221305060 /nfs/dbraw/zinc/30/50/60/221305060.db2.gz KQCJMKMTNRNKPE-UHFFFAOYSA-N 1 0 362.495 2.471 50 0 FEAARO COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H]([NH3+])[C@@H](C)OC)CC2)c1 ZINC000067935392 221306363 /nfs/dbraw/zinc/30/63/63/221306363.db2.gz ARQIDBNLCQCRDZ-ACJLOTCBSA-N 1 0 372.469 2.154 50 0 FEAARO CC(C)(CO)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000071404017 221345037 /nfs/dbraw/zinc/34/50/37/221345037.db2.gz CKMWKWSJJXTGAU-LJQANCHMSA-N 1 0 373.541 2.250 50 0 FEAARO CC(C)c1ncc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000071753442 221363366 /nfs/dbraw/zinc/36/33/66/221363366.db2.gz TZLCQPKASJEVNW-QGZVFWFLSA-N 1 0 360.502 2.476 50 0 FEAARO CN1c2ccccc2[C@@](CCC(=O)NCCC[NH3+])(Cc2ccccc2)C1=O ZINC000071753639 221364137 /nfs/dbraw/zinc/36/41/37/221364137.db2.gz NXSMKYIUIWVDSU-JOCHJYFZSA-N 1 0 365.477 2.389 50 0 FEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000071768170 221372549 /nfs/dbraw/zinc/37/25/49/221372549.db2.gz AYXZRAJJDIRJCG-UHFFFAOYSA-N 1 0 354.454 2.114 50 0 FEAARO CC(=O)N1CCC[C@H]1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072418305 221506860 /nfs/dbraw/zinc/50/68/60/221506860.db2.gz TWPNDFSFKOCZRM-FQEVSTJZSA-N 1 0 357.498 2.163 50 0 FEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc(=O)n4c(C)cccc4n3)[C@H]2C1 ZINC000299780571 533432311 /nfs/dbraw/zinc/43/23/11/533432311.db2.gz KJEVMVKYBCUPSI-FUHIMQAGSA-N 1 0 357.454 2.161 50 0 FEAARO CCC[C@@H]1C[N@H+](Cc2ccc(OCC)c(OC)c2)C[C@H]1NS(C)(=O)=O ZINC000082120520 542684473 /nfs/dbraw/zinc/68/44/73/542684473.db2.gz BVRQYCUBJOBCOE-HZPDHXFCSA-N 1 0 370.515 2.244 50 0 FEAARO Cc1cc(C)n(C)c(=O)c1C(=O)N(C)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000082148311 542685214 /nfs/dbraw/zinc/68/52/14/542685214.db2.gz FPPNATKGYBTWEA-SFHVURJKSA-N 1 0 353.466 2.131 50 0 FEAARO CCn1ccc(C(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)cc1=O ZINC000082157336 542686201 /nfs/dbraw/zinc/68/62/01/542686201.db2.gz HBGAKMHVVFPYFI-UHFFFAOYSA-N 1 0 365.477 2.184 50 0 FEAARO CCCc1noc2nc(C3CC3)cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c12 ZINC000084758820 542720578 /nfs/dbraw/zinc/72/05/78/542720578.db2.gz HSQMRKHDLYYITK-IBGZPJMESA-N 1 0 360.458 2.095 50 0 FEAARO C[C@H]1CN(C)CC[N@@H+]1CC1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000085468227 542728556 /nfs/dbraw/zinc/72/85/56/542728556.db2.gz SIYQHGNXTJCZRA-AWEZNQCLSA-N 1 0 351.441 2.453 50 0 FEAARO COc1ccc(N2CCN(C(=O)C[NH+]3CCCCCCC3)CC2=O)cc1 ZINC000082091669 132194248 /nfs/dbraw/zinc/19/42/48/132194248.db2.gz UGWQIJYBJAVUHJ-UHFFFAOYSA-N 1 0 359.470 2.137 50 0 FEAARO COCC(=O)N[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)C[C@@H]1C1CC1 ZINC000091474744 132202237 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CN(Cc1cnc2ccccn12)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219524932 132274369 /nfs/dbraw/zinc/27/43/69/132274369.db2.gz VGRXPNFBNLRVMS-UHFFFAOYSA-N 1 0 363.465 2.358 50 0 FEAARO Cc1nccc(C2CCN(c3cc(C4CC([NH3+])C4)nc(N(C)C)n3)CC2)n1 ZINC000222625123 132277388 /nfs/dbraw/zinc/27/73/88/132277388.db2.gz PDIWCOAZNQBWFV-UHFFFAOYSA-N 1 0 367.501 2.230 50 0 FEAARO OCCNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000002180581 132382617 /nfs/dbraw/zinc/38/26/17/132382617.db2.gz YBSRDBXCRCVOQY-UHFFFAOYSA-N 1 0 363.465 2.356 50 0 FEAARO Cc1ccc2c(c1)N(CCC(=O)NCCC[NH+]1CCCCC1)C(=O)[C@H](C)O2 ZINC000003907312 132385946 /nfs/dbraw/zinc/38/59/46/132385946.db2.gz WFEUIRWSAPHSNR-KRWDZBQOSA-N 1 0 373.497 2.491 50 0 FEAARO Cc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[N@H+](CCO)C[C@@H]1C1CC1 ZINC000091320894 542804648 /nfs/dbraw/zinc/80/46/48/542804648.db2.gz NGINLAJZNJPCCQ-CVEARBPZSA-N 1 0 356.388 2.446 50 0 FEAARO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000091586627 542814450 /nfs/dbraw/zinc/81/44/50/542814450.db2.gz PAXFAFJNCJXOTF-IEBWSBKVSA-N 1 0 353.470 2.450 50 0 FEAARO CC(C)C(=O)N1CCC([N@H+]2C[C@H](Nc3ncccn3)[C@@H](C(C)C)C2)CC1 ZINC000091595522 542815145 /nfs/dbraw/zinc/81/51/45/542815145.db2.gz SIZDACMAEWKFKQ-MSOLQXFVSA-N 1 0 359.518 2.492 50 0 FEAARO COCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000091690503 542820610 /nfs/dbraw/zinc/82/06/10/542820610.db2.gz YUIDRWMARTWOJM-UHFFFAOYSA-N 1 0 368.481 2.241 50 0 FEAARO CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1CCC(=O)N(CC[NH+](C)C)C1 ZINC000091745275 542822894 /nfs/dbraw/zinc/82/28/94/542822894.db2.gz XSVRMMICFZANST-AWEZNQCLSA-N 1 0 374.460 2.066 50 0 FEAARO COCCN1CC2(CCC1=O)CC[NH+](C[C@@H]1COc3ccccc3O1)CC2 ZINC000091770636 542825026 /nfs/dbraw/zinc/82/50/26/542825026.db2.gz TYLDUBMPPJWVPH-QGZVFWFLSA-N 1 0 374.481 2.177 50 0 FEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2Cc2c[nH]nc2-c2ccccc2)C1 ZINC000091829797 542827588 /nfs/dbraw/zinc/82/75/88/542827588.db2.gz KHLMBZLUBZEMED-QFBILLFUSA-N 1 0 367.497 2.061 50 0 FEAARO O=C(COc1ccc(F)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091914731 542832508 /nfs/dbraw/zinc/83/25/08/542832508.db2.gz WLRZOERBOWYRDJ-IAGOWNOFSA-N 1 0 364.461 2.147 50 0 FEAARO COCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)cn1 ZINC000092002589 542835941 /nfs/dbraw/zinc/83/59/41/542835941.db2.gz UIRATKHHCHVYQD-HXUWFJFHSA-N 1 0 358.486 2.380 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)n1nc(C)cc1C)CC2 ZINC000092077007 542843916 /nfs/dbraw/zinc/84/39/16/542843916.db2.gz WFJSGNNXGVGJBL-INIZCTEOSA-N 1 0 370.501 2.180 50 0 FEAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CN2c3ccccc3OCC2=O)C1 ZINC000058280878 136131267 /nfs/dbraw/zinc/13/12/67/136131267.db2.gz ZCQQJIUKNBKPFU-BRWVUGGUSA-N 1 0 371.481 2.276 50 0 FEAARO Cc1ccc([C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)N(C)C)cc1 ZINC000095374424 542963491 /nfs/dbraw/zinc/96/34/91/542963491.db2.gz BTRUFSZPBWFMEF-FQEVSTJZSA-N 1 0 359.514 2.169 50 0 FEAARO Cc1nc2ccc(C(=O)N3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cc2nc1C ZINC000095374996 542963517 /nfs/dbraw/zinc/96/35/17/542963517.db2.gz YRBTVZQLSBTWBE-PMACEKPBSA-N 1 0 368.481 2.308 50 0 FEAARO COC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000095373085 542963876 /nfs/dbraw/zinc/96/38/76/542963876.db2.gz BVAOUJYMGLDOJM-QGZVFWFLSA-N 1 0 360.458 2.050 50 0 FEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccc(CO)cc2)CC1 ZINC000095362956 542960327 /nfs/dbraw/zinc/96/03/27/542960327.db2.gz YIHVWNDKXWJMFU-UHFFFAOYSA-N 1 0 370.497 2.347 50 0 FEAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCN1CCCC1=O)CC2 ZINC000095384163 542966138 /nfs/dbraw/zinc/96/61/38/542966138.db2.gz KNCOQFFXSJXALW-SFHVURJKSA-N 1 0 355.482 2.089 50 0 FEAARO NC(=O)c1cccnc1N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095377879 542964635 /nfs/dbraw/zinc/96/46/35/542964635.db2.gz BLAYSGJWXIMORG-IPMKNSEASA-N 1 0 366.440 2.386 50 0 FEAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000095391532 542968316 /nfs/dbraw/zinc/96/83/16/542968316.db2.gz FCNJCPGCXZVIPX-SFHVURJKSA-N 1 0 355.482 2.381 50 0 FEAARO O=C([C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCCN(c2ncccn2)CC1 ZINC000095386769 542966995 /nfs/dbraw/zinc/96/69/95/542966995.db2.gz ZFNIZWGHRXUIHW-KRWDZBQOSA-N 1 0 357.502 2.170 50 0 FEAARO CC1CCC2(CC1)OC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)O2 ZINC000095464543 542972075 /nfs/dbraw/zinc/97/20/75/542972075.db2.gz QDXGPVNIMLXARP-YEHLNFIWSA-N 1 0 366.502 2.068 50 0 FEAARO COc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1OC ZINC000095467458 542972254 /nfs/dbraw/zinc/97/22/54/542972254.db2.gz YEZYUXZQTVMHPS-CYBMUJFWSA-N 1 0 356.488 2.055 50 0 FEAARO O=C(Nc1ccc2c(c1)CC(=O)N2)N1CCC([NH+]2CCSCC2)CC1 ZINC000095498644 542973924 /nfs/dbraw/zinc/97/39/24/542973924.db2.gz DBJKVXCITGAZGZ-UHFFFAOYSA-N 1 0 360.483 2.226 50 0 FEAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)C1 ZINC000095497387 542974014 /nfs/dbraw/zinc/97/40/14/542974014.db2.gz ZYZMYCARZDLPTN-INIZCTEOSA-N 1 0 373.526 2.436 50 0 FEAARO O=C(CCC1CCN(C(=O)[C@@H]2C=CC[NH2+]2)CC1)N1CCc2ccccc2C1 ZINC000095499237 542974394 /nfs/dbraw/zinc/97/43/94/542974394.db2.gz IZCMUASOFFELRN-FQEVSTJZSA-N 1 0 367.493 2.118 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1Nc1nc(C)nc2c1Cc1ccccc1OC2 ZINC000095502731 542975279 /nfs/dbraw/zinc/97/52/79/542975279.db2.gz YICZGXXQICWTJC-LPHOPBHVSA-N 1 0 354.454 2.399 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)C1 ZINC000095509049 542977056 /nfs/dbraw/zinc/97/70/56/542977056.db2.gz VJKCNGQQQKNHCX-ZWKOTPCHSA-N 1 0 353.470 2.160 50 0 FEAARO CN(C)c1ccc(CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)cc1 ZINC000095513365 542977700 /nfs/dbraw/zinc/97/77/00/542977700.db2.gz WMOJMUAFHAGIKH-OAQYLSRUSA-N 1 0 367.493 2.000 50 0 FEAARO Cc1cccc(=O)n1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095518055 542979066 /nfs/dbraw/zinc/97/90/66/542979066.db2.gz UIFPXOBYGHSQLN-KRWDZBQOSA-N 1 0 357.454 2.168 50 0 FEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2nncn2C)C1 ZINC000095521856 542980126 /nfs/dbraw/zinc/98/01/26/542980126.db2.gz PTIVKQQEWVFJDP-KRWDZBQOSA-N 1 0 357.502 2.210 50 0 FEAARO COc1ccc(C(=O)N[C@H]2CCOC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095524734 542981339 /nfs/dbraw/zinc/98/13/39/542981339.db2.gz ULIFAHGJMGTKMR-INIZCTEOSA-N 1 0 362.470 2.466 50 0 FEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000125229684 543868550 /nfs/dbraw/zinc/86/85/50/543868550.db2.gz QFHZXJSZQBJVGX-SECBINFHSA-N 1 0 350.216 2.137 50 0 FEAARO CCNc1nc(NCCNC(=O)c2ccc(OC)c(OC)c2)cc(C)[nH+]1 ZINC000072446863 221533494 /nfs/dbraw/zinc/53/34/94/221533494.db2.gz UGAWNURKQMVVCK-UHFFFAOYSA-N 1 0 359.430 2.076 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)[C@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000091951535 221817561 /nfs/dbraw/zinc/81/75/61/221817561.db2.gz ZMVVWXFUCHZKGS-SFHVURJKSA-N 1 0 357.498 2.020 50 0 FEAARO COC(=O)c1ccc(C)c(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c1 ZINC000096133256 222037848 /nfs/dbraw/zinc/03/78/48/222037848.db2.gz GKTYGXOZGINBOM-IRXDYDNUSA-N 1 0 361.442 2.156 50 0 FEAARO CCn1nc(CC2CC[NH+](C)CC2)nc1[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000096138897 222042501 /nfs/dbraw/zinc/04/25/01/222042501.db2.gz FZUWMMSPQKMSGA-INIZCTEOSA-N 1 0 359.518 2.441 50 0 FEAARO COCCNC(=O)c1ccc(NC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096142092 222046499 /nfs/dbraw/zinc/04/64/99/222046499.db2.gz BRCRIXUIDOQAPG-HXUWFJFHSA-N 1 0 374.485 2.012 50 0 FEAARO COc1cccc(C[NH+]2CCC(NC(=O)/C=C\c3cnn(C)c3)CC2)c1 ZINC000096309293 222113443 /nfs/dbraw/zinc/11/34/43/222113443.db2.gz IKZKLAVFFBZWOC-SREVYHEPSA-N 1 0 354.454 2.223 50 0 FEAARO NC(=O)CCN1CC[NH+](C[C@@H]2CC2(c2ccccc2)c2ccccc2)CC1 ZINC000097087841 222158495 /nfs/dbraw/zinc/15/84/95/222158495.db2.gz SRCFMKDOMFFZMU-NRFANRHFSA-N 1 0 363.505 2.486 50 0 FEAARO C[NH2+][C@@H]1CCN(C(=O)c2cnc3c(c2)c(C)nn3-c2ccc(F)cc2)C1 ZINC000097228884 222170090 /nfs/dbraw/zinc/17/00/90/222170090.db2.gz BNLXHJGFUWAKGF-OAHLLOKOSA-N 1 0 353.401 2.302 50 0 FEAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCN(C)C2(CC[NH2+]CC2)C1 ZINC000097393975 222179429 /nfs/dbraw/zinc/17/94/29/222179429.db2.gz WPGCUVIHVNDPSU-UHFFFAOYSA-N 1 0 354.498 2.305 50 0 FEAARO CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000097463549 222181650 /nfs/dbraw/zinc/18/16/50/222181650.db2.gz YHLCFUCPAVEKCA-AZUAARDMSA-N 1 0 355.482 2.365 50 0 FEAARO CN(C(=O)c1ccc2[nH]c(CO)nc2c1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097578826 222193796 /nfs/dbraw/zinc/19/37/96/222193796.db2.gz LYPAOPDISMBYHQ-SFHVURJKSA-N 1 0 352.438 2.430 50 0 FEAARO C[N@@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)CC1 ZINC000097618003 222200269 /nfs/dbraw/zinc/20/02/69/222200269.db2.gz MCDCVHCXOJMKCW-KRWDZBQOSA-N 1 0 371.506 2.253 50 0 FEAARO Cn1nc(C(=O)N(Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1=O ZINC000101746130 222282500 /nfs/dbraw/zinc/28/25/00/222282500.db2.gz NXMQQDHOIFHCBE-PIIMJCKOSA-N 1 0 366.465 2.048 50 0 FEAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105471377 222369283 /nfs/dbraw/zinc/36/92/83/222369283.db2.gz ACSNFXCRNKCWDI-OAHLLOKOSA-N 1 0 350.413 2.188 50 0 FEAARO CCOC(=O)c1coc(-c2ccc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2)n1 ZINC000426589721 263640332 /nfs/dbraw/zinc/64/03/32/263640332.db2.gz FKDICZHHTKJUQS-XJKSGUPXSA-N 1 0 370.409 2.344 50 0 FEAARO Cn1cc(N2CCC[C@@H]([NH2+]CC3(c4ccccc4)CCOCC3)C2=O)cn1 ZINC000173911023 327293664 /nfs/dbraw/zinc/29/36/64/327293664.db2.gz FWJWHNGLPJFYAL-LJQANCHMSA-N 1 0 368.481 2.254 50 0 FEAARO Cn1nnc2cc(NC(=O)N3CC[NH+](C4CCSCC4)CC3)ccc21 ZINC000299801777 534351312 /nfs/dbraw/zinc/35/13/12/534351312.db2.gz QJWUBMDXAWRPLO-UHFFFAOYSA-N 1 0 360.487 2.013 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(O)c3)C[C@@H]2CCO)CC1 ZINC000019795046 519670087 /nfs/dbraw/zinc/67/00/87/519670087.db2.gz RTFYCRHMUHXZOB-FQEVSTJZSA-N 1 0 361.530 2.134 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNS(=O)(=O)Cc3ccccc3)cc2C1 ZINC000082121316 519855612 /nfs/dbraw/zinc/85/56/12/519855612.db2.gz AUGZGKXIZZSKEZ-UHFFFAOYSA-N 1 0 362.499 2.118 50 0 FEAARO CCN(CCSc1ccc(C)cc1)C(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000091665593 521156473 /nfs/dbraw/zinc/15/64/73/521156473.db2.gz BUEVAALDVOEGPQ-MRXNPFEDSA-N 1 0 363.527 2.133 50 0 FEAARO CN(C)Cc1ccc(C(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)o1 ZINC000091289529 521821957 /nfs/dbraw/zinc/82/19/57/521821957.db2.gz QJQGPLDSTUQIHG-UHFFFAOYSA-N 1 0 373.501 2.119 50 0 FEAARO CCc1nccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000091664589 522579526 /nfs/dbraw/zinc/57/95/26/522579526.db2.gz UXCLBTCUMJMLGA-DLBZAZTESA-N 1 0 371.485 2.173 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000269231043 523102272 /nfs/dbraw/zinc/10/22/72/523102272.db2.gz CTNYBYWXSRLKHT-IHRRRGAJSA-N 1 0 374.403 2.421 50 0 FEAARO COCCNC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)nc1 ZINC000078672042 523924796 /nfs/dbraw/zinc/92/47/96/523924796.db2.gz NROTZBKLRCOERL-GOSISDBHSA-N 1 0 356.470 2.481 50 0 FEAARO C[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC[NH2+]1 ZINC000179183633 524549584 /nfs/dbraw/zinc/54/95/84/524549584.db2.gz FQGVOUBLDHFQFV-JTQLQIEISA-N 1 0 356.323 2.464 50 0 FEAARO C[C@@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237394756 525277115 /nfs/dbraw/zinc/27/71/15/525277115.db2.gz QAJSNQHOTRPRPW-JLTOFOAXSA-N 1 0 363.477 2.496 50 0 FEAARO CC1(C)C[C@H](C[N@@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)CCO1 ZINC000299761212 527726277 /nfs/dbraw/zinc/72/62/77/527726277.db2.gz XAPLAGGBRFDGMP-OAHLLOKOSA-N 1 0 360.502 2.320 50 0 FEAARO CCc1[nH]nc2c1CN(c1nc(-c3cccnc3)nc3c1CC[NH2+]C3)CC2 ZINC000071747968 536011722 /nfs/dbraw/zinc/01/17/22/536011722.db2.gz CYBPIFXRHPIXDS-UHFFFAOYSA-N 1 0 361.453 2.033 50 0 FEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ncn1 ZINC000071730482 536145204 /nfs/dbraw/zinc/14/52/04/536145204.db2.gz UCIAZBHMOPYKFJ-KRWDZBQOSA-N 1 0 371.529 2.342 50 0 FEAARO Cc1nn(C)c(-n2cccn2)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000188175046 548273986 /nfs/dbraw/zinc/27/39/86/548273986.db2.gz PREHEIVQXMHQPU-INIZCTEOSA-N 1 0 356.474 2.005 50 0 FEAARO O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188750670 548286919 /nfs/dbraw/zinc/28/69/19/548286919.db2.gz SQGBEMRACCQZOI-FUHWJXTLSA-N 1 0 365.412 2.251 50 0 FEAARO O=C(c1ccc(Cn2cccn2)o1)N1CC[NH+](C2CCSCC2)CC1 ZINC000215030765 548667574 /nfs/dbraw/zinc/66/75/74/548667574.db2.gz CIHJEJFQNXWMCO-UHFFFAOYSA-N 1 0 360.483 2.178 50 0 FEAARO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2ccccc2)n1 ZINC000215066047 548668349 /nfs/dbraw/zinc/66/83/49/548668349.db2.gz WBYQZGDKDXQROZ-IBGZPJMESA-N 1 0 368.481 2.300 50 0 FEAARO Cc1ccccc1-n1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)cn1 ZINC000215932247 548674779 /nfs/dbraw/zinc/67/47/79/548674779.db2.gz MZQUPVHDJPBZEF-UHFFFAOYSA-N 1 0 368.481 2.252 50 0 FEAARO C[NH+]1CCC(N2CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)CC1 ZINC000216262715 548676220 /nfs/dbraw/zinc/67/62/20/548676220.db2.gz GNWUANBSFWDKDC-UHFFFAOYSA-N 1 0 356.514 2.139 50 0 FEAARO CC[NH+]1CCN(Cc2cc(C)cc(C[N@H+]3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c2C)CC1 ZINC000216921255 548678301 /nfs/dbraw/zinc/67/83/01/548678301.db2.gz KQDKYWHFDDPCSX-AERCQKQUSA-N 1 0 371.525 2.203 50 0 FEAARO Cc1cc(C)n(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c(=O)n1 ZINC000219096120 548692448 /nfs/dbraw/zinc/69/24/48/548692448.db2.gz IGOQPDTZFCGASG-LJQANCHMSA-N 1 0 368.481 2.204 50 0 FEAARO C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)CCCc1ccccc1)C2 ZINC000219230831 548692795 /nfs/dbraw/zinc/69/27/95/548692795.db2.gz ZZODDDRPGDGDPC-FQEVSTJZSA-N 1 0 370.497 2.233 50 0 FEAARO COc1ccccc1C1CCN(Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)CC1 ZINC000222529458 548708981 /nfs/dbraw/zinc/70/89/81/548708981.db2.gz LWZOFEIFDCJUBM-WKILWMFISA-N 1 0 355.486 2.408 50 0 FEAARO Cn1c(Cn2c3ccccc3nc2N2CCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223282355 548718499 /nfs/dbraw/zinc/71/84/99/548718499.db2.gz YZMYRSSYBAPANB-HDJSIYSDSA-N 1 0 351.458 2.018 50 0 FEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1csc(Cc2ccccc2)n1 ZINC000223839698 548725177 /nfs/dbraw/zinc/72/51/77/548725177.db2.gz MYKCKEOUIOQZMK-BVPBIZIASA-N 1 0 357.479 2.181 50 0 FEAARO COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1 ZINC000225478883 548735738 /nfs/dbraw/zinc/73/57/38/548735738.db2.gz MPICSELXOHPXDT-HNNXBMFYSA-N 1 0 362.879 2.168 50 0 FEAARO O=S(=O)(c1cccnc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689844 548741946 /nfs/dbraw/zinc/74/19/46/548741946.db2.gz DOTYMKNHYLJDSQ-UHFFFAOYSA-N 1 0 363.508 2.355 50 0 FEAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H](O)c2ccc(O)cc2)cc1 ZINC000229690497 548757206 /nfs/dbraw/zinc/75/72/06/548757206.db2.gz RETXRGRLCBRPFM-FIKMYACPSA-N 1 0 373.449 2.436 50 0 FEAARO COc1ccc(Cl)cc1CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237089821 548799105 /nfs/dbraw/zinc/79/91/05/548799105.db2.gz LTRHVEJAQMPHJA-CJNGLKHVSA-N 1 0 351.878 2.120 50 0 FEAARO CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237236418 548810959 /nfs/dbraw/zinc/81/09/59/548810959.db2.gz ZHLNURLNPPGVFT-CFVMTHIKSA-N 1 0 360.376 2.031 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237238521 548811331 /nfs/dbraw/zinc/81/13/31/548811331.db2.gz DYVOQFUIRPLUNB-XQQFMLRXSA-N 1 0 360.376 2.031 50 0 FEAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000237426924 548825360 /nfs/dbraw/zinc/82/53/60/548825360.db2.gz FHCFXNKOGYCOEE-ZYHUDNBSSA-N 1 0 353.348 2.238 50 0 FEAARO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(F)cccc1Br ZINC000237435121 548826773 /nfs/dbraw/zinc/82/67/73/548826773.db2.gz MWXSSBBLMPJJBW-RKDXNWHRSA-N 1 0 351.241 2.089 50 0 FEAARO C[C@H]1CN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC[NH2+]1 ZINC000237572653 548835204 /nfs/dbraw/zinc/83/52/04/548835204.db2.gz WXBAEAOBIYFMJZ-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO c1cc(OCCCN2CCOCC2)ccc1CN1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000244900312 548899417 /nfs/dbraw/zinc/89/94/17/548899417.db2.gz ZZXYBHINCVMHCR-UXHICEINSA-N 1 0 359.514 2.114 50 0 FEAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3cc(C)nc(N(C)C)n3)CC2)nc1 ZINC000252478657 549666386 /nfs/dbraw/zinc/66/63/86/549666386.db2.gz ARNDABSFIFYMKZ-UHFFFAOYSA-N 1 0 368.485 2.405 50 0 FEAARO O=C(CCN1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000252483271 549667488 /nfs/dbraw/zinc/66/74/88/549667488.db2.gz DYELWBXLPJHGRF-IRXDYDNUSA-N 1 0 369.868 2.339 50 0 FEAARO COCCn1cncc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000252483512 549668054 /nfs/dbraw/zinc/66/80/54/549668054.db2.gz FDBIXFLWLJFIHM-UHFFFAOYSA-N 1 0 370.497 2.366 50 0 FEAARO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(OCC2CC2)c1 ZINC000252506661 549671178 /nfs/dbraw/zinc/67/11/78/549671178.db2.gz WCDWKYWHGNVDBM-INIZCTEOSA-N 1 0 362.470 2.061 50 0 FEAARO C[N@@H+]1CCN2CCN(C(=O)c3ccccc3OCc3ccccc3)C[C@@H]2C1 ZINC000252502185 549671330 /nfs/dbraw/zinc/67/13/30/549671330.db2.gz UNEQXGSGDFBXJW-IBGZPJMESA-N 1 0 365.477 2.337 50 0 FEAARO CN(C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000252552772 549673983 /nfs/dbraw/zinc/67/39/83/549673983.db2.gz UYPXPHKPCSNOFO-UHFFFAOYSA-N 1 0 372.444 2.463 50 0 FEAARO CCn1c(CN2CCCOc3c(cccc3OC)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550771 549674184 /nfs/dbraw/zinc/67/41/84/549674184.db2.gz SXJYANMQMJBEIF-IYBDPMFKSA-N 1 0 371.485 2.296 50 0 FEAARO O=C(Cc1ccc(F)cc1)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257180636 549712788 /nfs/dbraw/zinc/71/27/88/549712788.db2.gz DRYXYIJFDULXNY-INIZCTEOSA-N 1 0 356.388 2.061 50 0 FEAARO Cn1cc([C@H]2c3nccn3CCCN2C(=O)Cc2cccc(F)c2)cn1 ZINC000257182238 549712876 /nfs/dbraw/zinc/71/28/76/549712876.db2.gz GIGCYIGQPSFYOG-SFHVURJKSA-N 1 0 353.401 2.320 50 0 FEAARO CC(C)C[N@@H+]1CC[C@@H](c2nnc3n2CCN(C(=O)c2ccccc2)CC3)C1 ZINC000257184156 549713600 /nfs/dbraw/zinc/71/36/00/549713600.db2.gz IGJUVWMGQVKWRF-GOSISDBHSA-N 1 0 367.497 2.422 50 0 FEAARO COc1cccc(OC)c1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000331285690 554241963 /nfs/dbraw/zinc/24/19/63/554241963.db2.gz NCGLGGKCNNDGRS-UHFFFAOYSA-N 1 0 356.488 2.104 50 0 FEAARO O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC(CC(F)(F)F)CC1 ZINC000333095529 554571602 /nfs/dbraw/zinc/57/16/02/554571602.db2.gz ADKZZPSRJJGRRC-UHFFFAOYSA-N 1 0 372.395 2.083 50 0 FEAARO CCn1cncc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000333409535 554610527 /nfs/dbraw/zinc/61/05/27/554610527.db2.gz GSOHYFHBYIESAY-MRXNPFEDSA-N 1 0 354.520 2.226 50 0 FEAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000363577242 555140594 /nfs/dbraw/zinc/14/05/94/555140594.db2.gz KMKQJXJHYTXWPW-QGZVFWFLSA-N 1 0 362.474 2.012 50 0 FEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)Cc2nc(-c3cccnc3)no2)C1 ZINC000426478269 559735285 /nfs/dbraw/zinc/73/52/85/559735285.db2.gz ZKCHSPNDPRWKRB-OAHLLOKOSA-N 1 0 372.473 2.393 50 0 FEAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2nc(-c3cccnc3)no2)C1 ZINC000426478265 559735418 /nfs/dbraw/zinc/73/54/18/559735418.db2.gz ZKCHSPNDPRWKRB-HNNXBMFYSA-N 1 0 372.473 2.393 50 0 FEAARO O=C(CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O)NC1CC1 ZINC000426503222 559736011 /nfs/dbraw/zinc/73/60/11/559736011.db2.gz DZJSNYLYAGFKIG-OAQYLSRUSA-N 1 0 373.472 2.309 50 0 FEAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)N2CC(Oc3cccc(C)c3)C2)C1 ZINC000426508183 559736283 /nfs/dbraw/zinc/73/62/83/559736283.db2.gz ZYGGAONEQSCLJS-KRWDZBQOSA-N 1 0 361.486 2.126 50 0 FEAARO CCn1c(CCNC(=O)CC[C@@H](C)[NH+]2CCOCC2)nc2ccccc21 ZINC000426526784 559736959 /nfs/dbraw/zinc/73/69/59/559736959.db2.gz DFQXKDQZEQKGLL-MRXNPFEDSA-N 1 0 358.486 2.216 50 0 FEAARO CNc1cc(C)nc(-c2ccc(C(=O)NCC[C@H]3CCC[N@@H+]3C)cc2)n1 ZINC000426545206 559737413 /nfs/dbraw/zinc/73/74/13/559737413.db2.gz UJPGTYCVFDEWSY-QGZVFWFLSA-N 1 0 353.470 2.130 50 0 FEAARO Cc1cc(N2CCCN(C(=O)NCc3cn4c(n3)SCC4)CC2)cc[nH+]1 ZINC000426552349 559737756 /nfs/dbraw/zinc/73/77/56/559737756.db2.gz PBHBADQLNVYJBZ-UHFFFAOYSA-N 1 0 372.498 2.114 50 0 FEAARO O=C(NCC(c1ccccc1)c1ccccc1)NC[C@]1(O)CCC[NH2+]C1 ZINC000426606807 559738895 /nfs/dbraw/zinc/73/88/95/559738895.db2.gz VNANIQJQYHOSCY-NRFANRHFSA-N 1 0 353.466 2.232 50 0 FEAARO O=C(NC[C@H](O)C[NH+]1CCCC1)c1cccc(-c2ccc(CCO)cc2)c1 ZINC000426641615 559739465 /nfs/dbraw/zinc/73/94/65/559739465.db2.gz XARLBFIDXUXNCP-NRFANRHFSA-N 1 0 368.477 2.075 50 0 FEAARO Cc1ccc(C(=O)N2CCC(O)(c3cccnc3)CC2)cc1OCCC[NH3+] ZINC000426690740 559740461 /nfs/dbraw/zinc/74/04/61/559740461.db2.gz SWYPIFWLOSUEGA-UHFFFAOYSA-N 1 0 369.465 2.241 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)N1CCC2(COC(=O)O2)CC1)c1ccco1 ZINC000534672400 562540009 /nfs/dbraw/zinc/54/00/09/562540009.db2.gz NALVHOLIJDKCMR-CQSZACIVSA-N 1 0 365.430 2.374 50 0 FEAARO CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000426394479 571219141 /nfs/dbraw/zinc/21/91/41/571219141.db2.gz DTMZQRBUUKCEDJ-FQEVSTJZSA-N 1 0 358.530 2.288 50 0 FEAARO Cc1cnccc1-c1cccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000426401617 571220290 /nfs/dbraw/zinc/22/02/90/571220290.db2.gz DTPHAPYREHLOSM-LJQANCHMSA-N 1 0 350.466 2.177 50 0 FEAARO CNC(=O)c1ccc(OC)c(NC(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000426431410 571224744 /nfs/dbraw/zinc/22/47/44/571224744.db2.gz UWGUGRSZHUSGQR-ZDUSSCGKSA-N 1 0 360.458 2.145 50 0 FEAARO Cc1cc(-c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)cnc1-n1cnnc1 ZINC000584893669 571314919 /nfs/dbraw/zinc/31/49/19/571314919.db2.gz ZVZGWBDCKDVLPJ-OAHLLOKOSA-N 1 0 362.437 2.072 50 0 FEAARO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)c(C)cc1Cl ZINC000670464615 571358352 /nfs/dbraw/zinc/35/83/52/571358352.db2.gz MKDQIYVPHQQQGN-OAHLLOKOSA-N 1 0 374.934 2.330 50 0 FEAARO CC[N@H+](Cc1c(C)nn(CCS(C)(=O)=O)c1C)[C@H]1CCOC(C)(C)C1 ZINC000810043227 674526874 /nfs/dbraw/zinc/52/68/74/674526874.db2.gz QVHIHXSDOMDMNY-INIZCTEOSA-N 1 0 371.547 2.324 50 0 FEAARO CCCCn1c(CN(C)CCC[NH+]2CCCC2)cnc1S(=O)(=O)CC ZINC000011664620 669998770 /nfs/dbraw/zinc/99/87/70/669998770.db2.gz CFRYEEQZFVSLPE-UHFFFAOYSA-N 1 0 370.563 2.395 50 0 FEAARO CCOC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CCOC)C3)CC1 ZINC000055226915 670347844 /nfs/dbraw/zinc/34/78/44/670347844.db2.gz OCRSOYLYCDTBQU-IBGZPJMESA-N 1 0 353.507 2.042 50 0 FEAARO CN(CC[N@H+](C)C1CCCC1)S(=O)(=O)c1ccc(-c2cc[nH]n2)o1 ZINC000952972413 681793849 /nfs/dbraw/zinc/79/38/49/681793849.db2.gz JVLHKHOTKSSNBC-UHFFFAOYSA-N 1 0 352.460 2.165 50 0 FEAARO CC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[C@H](OC(F)F)C2)CC1 ZINC000888100008 688545737 /nfs/dbraw/zinc/54/57/37/688545737.db2.gz SKINFUOPWCXWAS-KGLIPLIRSA-N 1 0 361.433 2.043 50 0 FEAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)CSc2ccccc2)C1 ZINC000004029824 539375340 /nfs/dbraw/zinc/37/53/40/539375340.db2.gz AWTOWIPJXQJRGL-BBWFWOEESA-N 1 0 356.491 2.421 50 0 biogenic FEAARO C[C@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc2c(c1)CCCC2 ZINC000007371792 539455622 /nfs/dbraw/zinc/45/56/22/539455622.db2.gz FYNNVKGIGZDDKR-NSHDSACASA-N 1 0 357.483 2.489 50 0 FEAARO CC[N@H+](CCc1ccncc1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008708947 539490122 /nfs/dbraw/zinc/49/01/22/539490122.db2.gz NHHYVQQXKNMMAL-UHFFFAOYSA-N 1 0 368.481 2.421 50 0 FEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CCN2C(=O)COc3ccccc32)C1 ZINC000008663727 539490263 /nfs/dbraw/zinc/49/02/63/539490263.db2.gz ZMCYUDAAIFBKQJ-MRXNPFEDSA-N 1 0 359.470 2.040 50 0 FEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cccc(OC)c3)CC2)n1 ZINC000009620455 539505902 /nfs/dbraw/zinc/50/59/02/539505902.db2.gz ODPUYAWENDPXST-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000010813763 539521282 /nfs/dbraw/zinc/52/12/82/539521282.db2.gz AIUDNDDEOBCKEF-UHFFFAOYSA-N 1 0 352.500 2.438 50 0 FEAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cc[n+]([O-])cc2)C1 ZINC000011843115 539536181 /nfs/dbraw/zinc/53/61/81/539536181.db2.gz UAUVZGWRDMVSPZ-LJQANCHMSA-N 1 0 353.466 2.347 50 0 FEAARO O[C@@H]1CCC[N@@H+](C2CCN(Cc3nc(Cc4ccccc4F)no3)CC2)C1 ZINC000011873203 539537056 /nfs/dbraw/zinc/53/70/56/539537056.db2.gz FGWNHMUVOHIJQK-QGZVFWFLSA-N 1 0 374.460 2.221 50 0 FEAARO Cn1ncc2c1ncnc2N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000012486193 539561977 /nfs/dbraw/zinc/56/19/77/539561977.db2.gz BVQXLXAVDKKLKC-UHFFFAOYSA-N 1 0 372.860 2.218 50 0 FEAARO Cc1cc(C)c2nc(C(F)(F)F)nc(N3CC[NH+](CCO)CC3)c2c1 ZINC000019880378 539671016 /nfs/dbraw/zinc/67/10/16/539671016.db2.gz QZMDABZAIIEKPB-UHFFFAOYSA-N 1 0 354.376 2.380 50 0 FEAARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@@H](C)O1 ZINC000020411633 539674311 /nfs/dbraw/zinc/67/43/11/539674311.db2.gz AGRFRTKLCPEWTJ-DUKKWFAFSA-N 1 0 363.498 2.381 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(Nc3ccc(F)cc3)n2)CC1 ZINC000021928547 539689559 /nfs/dbraw/zinc/68/95/59/539689559.db2.gz BWQMSXNXVFAADH-UHFFFAOYSA-N 1 0 355.421 2.388 50 0 FEAARO [NH3+]Cc1cn(C2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)nn1 ZINC000023431001 539714070 /nfs/dbraw/zinc/71/40/70/539714070.db2.gz MOZQNWVLGVHOMD-UHFFFAOYSA-N 1 0 365.890 2.346 50 0 FEAARO CC[C@@H](c1n[nH]c2c1CN(C(=O)C[C@H]1C[NH2+]CCO1)CC2)c1ccccc1 ZINC000023619424 539717844 /nfs/dbraw/zinc/71/78/44/539717844.db2.gz ZJRLKLWPWNPSPE-DLBZAZTESA-N 1 0 368.481 2.215 50 0 FEAARO Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccccc2N2CCOCC2)no1 ZINC000024866943 539743187 /nfs/dbraw/zinc/74/31/87/539743187.db2.gz YGFXPGOIJGLBPX-UHFFFAOYSA-N 1 0 358.442 2.280 50 0 FEAARO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)N1CCc2ccccc21 ZINC000026135007 539778014 /nfs/dbraw/zinc/77/80/14/539778014.db2.gz KKUHKZLHVLMMBK-LJQANCHMSA-N 1 0 367.449 2.340 50 0 FEAARO O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000026712548 539790916 /nfs/dbraw/zinc/79/09/16/539790916.db2.gz BFHUJJVYIRTWRA-MRXNPFEDSA-N 1 0 361.511 2.169 50 0 FEAARO COc1cccc(N2C[C@@H](C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)CC2=O)c1 ZINC000032931219 539960106 /nfs/dbraw/zinc/96/01/06/539960106.db2.gz YEDRDEYZDJTZDM-SJORKVTESA-N 1 0 373.497 2.286 50 0 FEAARO CC[NH+]1CCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)CC1 ZINC000032943606 539961138 /nfs/dbraw/zinc/96/11/38/539961138.db2.gz URKITUDVBXJHOQ-UHFFFAOYSA-N 1 0 374.510 2.161 50 0 FEAARO COC(=O)C1C(C[N@@H+]2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087024 539975809 /nfs/dbraw/zinc/97/58/09/539975809.db2.gz CESBUDCKGYCTQM-UGSOOPFHSA-N 1 0 373.453 2.208 50 0 FEAARO Cc1ccnc(N2CCC(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)n1 ZINC000035454446 539982074 /nfs/dbraw/zinc/98/20/74/539982074.db2.gz YIYMPVDBTJSFSO-INIZCTEOSA-N 1 0 359.518 2.240 50 0 FEAARO c1ccc2c(c1)nc1n2[C@]2([NH+]3CCOCC3)CCC[C@@H]2[C@@H]1N1CCOCC1 ZINC000035939833 539984976 /nfs/dbraw/zinc/98/49/76/539984976.db2.gz DDVCADSEIQHMPX-LKUPVBHCSA-N 1 0 368.481 2.208 50 0 FEAARO Cc1nn2c(nnc3c2ccn(CC[NH+](C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040391868 540009885 /nfs/dbraw/zinc/00/98/85/540009885.db2.gz GTNQRGZAQYLVGZ-UHFFFAOYSA-N 1 0 366.400 2.115 50 0 FEAARO CC[NH2+]Cc1ccc(OC[C@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000040721186 540011533 /nfs/dbraw/zinc/01/15/33/540011533.db2.gz MPNJSEXMPDZYES-IBGZPJMESA-N 1 0 355.438 2.099 50 0 FEAARO C[C@@H]1C[NH+](C(C)(C)CNC(=O)/C=C/c2ccc3c(c2)OCO3)C[C@@H](C)O1 ZINC000041911355 540038750 /nfs/dbraw/zinc/03/87/50/540038750.db2.gz NIOYWSHRRLPNOE-OCESRQBRSA-N 1 0 360.454 2.433 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000042385767 540061752 /nfs/dbraw/zinc/06/17/52/540061752.db2.gz XMEAESVNXWXJBW-SJLPKXTDSA-N 1 0 363.477 2.439 50 0 FEAARO CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000042385764 540061953 /nfs/dbraw/zinc/06/19/53/540061953.db2.gz XMEAESVNXWXJBW-FUHWJXTLSA-N 1 0 363.477 2.439 50 0 FEAARO CC[NH+](CC)Cc1cccc(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)c1 ZINC000042724769 540075182 /nfs/dbraw/zinc/07/51/82/540075182.db2.gz SRODUYHKCIPFIS-MRXNPFEDSA-N 1 0 370.540 2.387 50 0 FEAARO C[C@H]1CCC[N@H+](CCNC(=O)NCCNC(=O)c2ccccc2Cl)C1 ZINC000045570406 540217114 /nfs/dbraw/zinc/21/71/14/540217114.db2.gz AAZSZLKEVRBHLT-AWEZNQCLSA-N 1 0 366.893 2.101 50 0 FEAARO CS(=O)(=O)Cc1c2ccccc2sc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000299739568 223078259 /nfs/dbraw/zinc/07/82/59/223078259.db2.gz QFEOZZPEEKKKMH-NSHDSACASA-N 1 0 352.481 2.009 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@H](c3ccccc3Br)C2)C1 ZINC000299738408 223078660 /nfs/dbraw/zinc/07/86/60/223078660.db2.gz AJENGRWWXJAVMB-ZOWXZIJZSA-N 1 0 353.260 2.476 50 0 FEAARO Cc1nccn1CC[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000299765486 223086395 /nfs/dbraw/zinc/08/63/95/223086395.db2.gz BIRYZQACGSZIBP-FQEVSTJZSA-N 1 0 369.513 2.077 50 0 FEAARO Cn1cnnc1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299771679 223088545 /nfs/dbraw/zinc/08/85/45/223088545.db2.gz VQJSFQSJAOUKCU-GOSISDBHSA-N 1 0 355.486 2.481 50 0 FEAARO Cc1nnc(SCC(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000299802339 223105123 /nfs/dbraw/zinc/10/51/23/223105123.db2.gz YURFVHSDTKEPDT-HNNXBMFYSA-N 1 0 360.483 2.384 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000299790730 223099331 /nfs/dbraw/zinc/09/93/31/223099331.db2.gz BZNLUYKXZCOPAF-HOTGVXAUSA-N 1 0 362.499 2.187 50 0 FEAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1ccc(/C=C/c2ccccn2)cc1 ZINC000299790272 223099669 /nfs/dbraw/zinc/09/96/69/223099669.db2.gz BALLTCYHJWXSOI-FKIZTMCRSA-N 1 0 352.438 2.488 50 0 FEAARO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)nnn1-c1cccc2cccnc21 ZINC000067136584 541422547 /nfs/dbraw/zinc/42/25/47/541422547.db2.gz ZLQKYOIVRSCSFG-CQSZACIVSA-N 1 0 364.453 2.338 50 0 FEAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)CSc3ccncc3)CC2)[C@H]1O ZINC000072154974 541790864 /nfs/dbraw/zinc/79/08/64/541790864.db2.gz RBBYNLSEGZZWSG-MOPGFXCFSA-N 1 0 369.490 2.108 50 0 FEAARO O=C(c1ccc2n[nH]nc2c1)N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000072164322 541792880 /nfs/dbraw/zinc/79/28/80/541792880.db2.gz SZHPNRSRZJIFFC-GOSISDBHSA-N 1 0 361.449 2.273 50 0 FEAARO CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(CC)CC2CCOCC2)[nH]1 ZINC000072163232 541792886 /nfs/dbraw/zinc/79/28/86/541792886.db2.gz VFLODEGBUXJFRB-IRXDYDNUSA-N 1 0 362.518 2.201 50 0 FEAARO O=C(c1ccc[nH]1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072166897 541794220 /nfs/dbraw/zinc/79/42/20/541794220.db2.gz BZNNRAXCCAFVRH-CWFSZBLJSA-N 1 0 365.433 2.446 50 0 FEAARO O=C(CCN1CCCCC1=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072170238 541794971 /nfs/dbraw/zinc/79/49/71/541794971.db2.gz ODEDOJZOQUAKEN-FQEVSTJZSA-N 1 0 369.509 2.091 50 0 FEAARO Cc1nc(C)n(CC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000072463174 541817706 /nfs/dbraw/zinc/81/77/06/541817706.db2.gz OABUANKQZXDFHZ-UHFFFAOYSA-N 1 0 357.502 2.008 50 0 FEAARO CC(C)[N@@H+]1CCO[C@@H](CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)C1 ZINC000072454315 541815900 /nfs/dbraw/zinc/81/59/00/541815900.db2.gz NIHJBIUHHNAYJM-IBGZPJMESA-N 1 0 356.470 2.330 50 0 FEAARO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072448177 541816026 /nfs/dbraw/zinc/81/60/26/541816026.db2.gz KMYFNUZDDHZJMT-NRFANRHFSA-N 1 0 372.513 2.153 50 0 FEAARO O=C([O-])C1(n2ccc(-c3ccco3)n2)CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000072479008 541821204 /nfs/dbraw/zinc/82/12/04/541821204.db2.gz CWXWKRNJGRLOQH-HNNXBMFYSA-N 1 0 358.442 2.018 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccs1 ZINC000012846499 220034693 /nfs/dbraw/zinc/03/46/93/220034693.db2.gz MDHGAXFTYULUEH-OAHLLOKOSA-N 1 0 370.478 2.336 50 0 FEAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000013668565 220081798 /nfs/dbraw/zinc/08/17/98/220081798.db2.gz QRMNUYADXFIGEY-GJZGRUSLSA-N 1 0 368.499 2.104 50 0 FEAARO CC[C@@H](CO)[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717748 220089965 /nfs/dbraw/zinc/08/99/65/220089965.db2.gz MXHNJSXLZKJPQS-HNNXBMFYSA-N 1 0 369.425 2.324 50 0 FEAARO COCCn1c(=O)c(C[N@H+](C)CCn2cccn2)cc2ccc(F)cc21 ZINC000014881582 220134972 /nfs/dbraw/zinc/13/49/72/220134972.db2.gz HCEDXXCPQHJLFI-UHFFFAOYSA-N 1 0 358.417 2.116 50 0 FEAARO CC(C)CN1C[C@@H](OCc2ccccc2)CN(C2CC[NH+](C)CC2)CC1=O ZINC000014740755 220131058 /nfs/dbraw/zinc/13/10/58/220131058.db2.gz ZCBHYHRHGLPYNR-NRFANRHFSA-N 1 0 373.541 2.466 50 0 FEAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000016585849 220187712 /nfs/dbraw/zinc/18/77/12/220187712.db2.gz UZSGLOPUIXTIGB-AWEZNQCLSA-N 1 0 361.467 2.101 50 0 FEAARO CNC(=O)C1([NH2+]CC(=O)Nc2ccc(OC(F)F)cc2)CCCCC1 ZINC000075105616 542152776 /nfs/dbraw/zinc/15/27/76/542152776.db2.gz XIVPNALQTKFYNL-UHFFFAOYSA-N 1 0 355.385 2.265 50 0 FEAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000075156580 542155583 /nfs/dbraw/zinc/15/55/83/542155583.db2.gz WFBLABXRLZVDIA-UHFFFAOYSA-N 1 0 366.889 2.427 50 0 FEAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N(C)C)cc3C2)CC1 ZINC000075541453 542186318 /nfs/dbraw/zinc/18/63/18/542186318.db2.gz XXUVJVRLLUPYEM-AWEZNQCLSA-N 1 0 363.527 2.107 50 0 FEAARO Cc1ccc(OCC[N@@H+]2CCC[C@]3(CCC(=O)N(CCO)C3)C2)cc1C ZINC000077321299 542367067 /nfs/dbraw/zinc/36/70/67/542367067.db2.gz TYUDDZYEHOPMKR-NRFANRHFSA-N 1 0 360.498 2.379 50 0 FEAARO COc1ccc(-c2nc3ccccn3c2C[N@@H+]2CCOC[C@@H](CO)C2)cc1 ZINC000077341852 542369418 /nfs/dbraw/zinc/36/94/18/542369418.db2.gz TUFGDYSIYZLUFX-MRXNPFEDSA-N 1 0 367.449 2.451 50 0 FEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000019731295 220291897 /nfs/dbraw/zinc/29/18/97/220291897.db2.gz UHKHGUNYCCEGNN-SFHVURJKSA-N 1 0 354.406 2.168 50 0 FEAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cccc(OCC(N)=O)c1 ZINC000019874127 220303063 /nfs/dbraw/zinc/30/30/63/220303063.db2.gz UDDBIYIFZWZDJA-IBGZPJMESA-N 1 0 351.406 2.276 50 0 FEAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000077376855 542374352 /nfs/dbraw/zinc/37/43/52/542374352.db2.gz ZXFGEJXFRVTAMI-UHFFFAOYSA-N 1 0 371.533 2.200 50 0 FEAARO O=C1CC[C@]2(CCC[N@@H+](Cc3ccccc3OCCO)C2)CN1C1CC1 ZINC000077379804 542375778 /nfs/dbraw/zinc/37/57/78/542375778.db2.gz QGDBYIMQGPZVFE-NRFANRHFSA-N 1 0 358.482 2.425 50 0 FEAARO O=C1CC[C@@]2(CCC[N@H+](CCOc3ccc(Cl)cc3)C2)CN1CCO ZINC000077423877 542380678 /nfs/dbraw/zinc/38/06/78/542380678.db2.gz WIXVGKZSYTYINE-LJQANCHMSA-N 1 0 366.889 2.416 50 0 FEAARO C[C@H](Cc1cnccn1)NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000077376666 542374226 /nfs/dbraw/zinc/37/42/26/542374226.db2.gz SRIOMAMQPASHCY-CQSZACIVSA-N 1 0 374.872 2.378 50 0 FEAARO CCCCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnccn3)[C@H](O)C2)s1 ZINC000077470037 542385551 /nfs/dbraw/zinc/38/55/51/542385551.db2.gz BQZCWNOWPYNPIR-SJLPKXTDSA-N 1 0 374.510 2.246 50 0 FEAARO CN(C(=O)c1cn(CC[C@H]2CCCC[NH2+]2)nn1)C1Cc2ccccc2C1 ZINC000077537464 542394473 /nfs/dbraw/zinc/39/44/73/542394473.db2.gz NYQHLFPAFQKBQW-QGZVFWFLSA-N 1 0 353.470 2.050 50 0 FEAARO CCN(CC)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000020859574 220343325 /nfs/dbraw/zinc/34/33/25/220343325.db2.gz OXCKEQZOEHSGPM-INIZCTEOSA-N 1 0 363.550 2.030 50 0 FEAARO COCCn1c(C)cc(O)c([C@H](c2ccncc2)[NH+]2CCCCC2)c1=O ZINC000022697885 220395018 /nfs/dbraw/zinc/39/50/18/220395018.db2.gz MRBWCIQSPUKVEO-IBGZPJMESA-N 1 0 357.454 2.479 50 0 FEAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)NC[C@@H]1CCCO1 ZINC000022790202 220398205 /nfs/dbraw/zinc/39/82/05/220398205.db2.gz YBJLWLKONFZHPP-FQEVSTJZSA-N 1 0 367.493 2.253 50 0 FEAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(=O)N1CCCC1 ZINC000025259171 220479198 /nfs/dbraw/zinc/47/91/98/220479198.db2.gz IRRSMVIFAJWKOG-UHFFFAOYSA-N 1 0 355.438 2.381 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nc2ncccn2n1)c1ccco1 ZINC000029918753 220612863 /nfs/dbraw/zinc/61/28/63/220612863.db2.gz ZWFBESQCYWWXGF-CYBMUJFWSA-N 1 0 374.470 2.009 50 0 FEAARO CCC[NH+]1CCC(NC(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000032826712 220686068 /nfs/dbraw/zinc/68/60/68/220686068.db2.gz UYKHMFIRFKILMF-IBGZPJMESA-N 1 0 371.525 2.458 50 0 FEAARO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)COc2ccc(F)cc2)CCN1 ZINC000052835128 221040699 /nfs/dbraw/zinc/04/06/99/221040699.db2.gz BCSPZAAVPTZKOL-HKUYNNGSSA-N 1 0 358.413 2.129 50 0 FEAARO C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000058210700 221107516 /nfs/dbraw/zinc/10/75/16/221107516.db2.gz QXBJAKQAYXHJHU-IRXDYDNUSA-N 1 0 371.485 2.171 50 0 FEAARO C[C@@H](Cn1cccn1)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058298830 221113114 /nfs/dbraw/zinc/11/31/14/221113114.db2.gz YAMCZMNOHHBNLT-PKOBYXMFSA-N 1 0 355.486 2.483 50 0 FEAARO CC(=O)NCC1CCN(C(=O)c2cn(CC[NH+](C)C)c3ccccc23)CC1 ZINC000058342693 221114941 /nfs/dbraw/zinc/11/49/41/221114941.db2.gz QDUNGRMISPHDIO-UHFFFAOYSA-N 1 0 370.497 2.191 50 0 FEAARO Cc1ccc([C@H](CNC(=O)CNC(=O)c2ccoc2)[NH+]2CCCC2)cc1 ZINC000058370627 221115983 /nfs/dbraw/zinc/11/59/83/221115983.db2.gz ZAPBWDWPCRFEJQ-SFHVURJKSA-N 1 0 355.438 2.271 50 0 FEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Br ZINC000063193911 221141474 /nfs/dbraw/zinc/14/14/74/221141474.db2.gz ABGYGNPAZDASEX-SKDRFNHKSA-N 1 0 365.268 2.479 50 0 FEAARO CCc1ccc(-n2nnc(C(=O)NCC[NH+](C)C)c2-c2ccncc2)cc1 ZINC000065083377 221167880 /nfs/dbraw/zinc/16/78/80/221167880.db2.gz ZFWCYNWYVKYKCM-UHFFFAOYSA-N 1 0 364.453 2.183 50 0 FEAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2c(F)cccc2Cl)[nH+]1 ZINC000065364637 221203560 /nfs/dbraw/zinc/20/35/60/221203560.db2.gz INFRDHPLCBJNAC-UHFFFAOYSA-N 1 0 351.813 2.485 50 0 FEAARO Cc1cc(-n2nc(C3CC3)nc2-c2cnn3cc(CCO)cnc23)cc[nH+]1 ZINC000065385259 221208912 /nfs/dbraw/zinc/20/89/12/221208912.db2.gz MSBPLQXBNDMRDW-UHFFFAOYSA-N 1 0 361.409 2.093 50 0 FEAARO CCCO[C@@H]1CCCN(C(=O)C2(Oc3cccnc3C)CC[NH2+]CC2)C1 ZINC000065424402 221217781 /nfs/dbraw/zinc/21/77/81/221217781.db2.gz UADPLJAPYCBQRL-QGZVFWFLSA-N 1 0 361.486 2.309 50 0 FEAARO Cc1cc(=O)[nH]c(NCC[NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)n1 ZINC000065421644 221217933 /nfs/dbraw/zinc/21/79/33/221217933.db2.gz ASJIKGVSTIYNAE-UHFFFAOYSA-N 1 0 354.410 2.003 50 0 FEAARO CCCN(Cc1nccn1C)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065452423 221220904 /nfs/dbraw/zinc/22/09/04/221220904.db2.gz KZJLRPWFMPYEIO-UHFFFAOYSA-N 1 0 355.486 2.224 50 0 FEAARO Cc1cc(N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)nc(-c2cccnc2)n1 ZINC000065458548 221221670 /nfs/dbraw/zinc/22/16/70/221221670.db2.gz CXMMRJOFFCFQTP-GOSISDBHSA-N 1 0 355.486 2.376 50 0 FEAARO O=C([C@@H]1CCN(c2cc(F)cc(F)c2)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000065493070 221225958 /nfs/dbraw/zinc/22/59/58/221225958.db2.gz VJYMUVVCMIOVDV-WBVHZDCISA-N 1 0 363.408 2.014 50 0 FEAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000065516057 221229919 /nfs/dbraw/zinc/22/99/19/221229919.db2.gz MTTYOOXQTKYKRJ-MRXNPFEDSA-N 1 0 357.462 2.438 50 0 FEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)C1 ZINC000079094155 542499321 /nfs/dbraw/zinc/49/93/21/542499321.db2.gz JUQNBRVNMTWVFZ-GOSISDBHSA-N 1 0 357.498 2.450 50 0 FEAARO O=C(NCC[NH+]1CCCCC1)c1sccc1NC(=O)c1cnccn1 ZINC000067335673 221251562 /nfs/dbraw/zinc/25/15/62/221251562.db2.gz ROVDTISJWMZIQJ-UHFFFAOYSA-N 1 0 359.455 2.006 50 0 FEAARO O=C(c1ccc(NCc2ccco2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067457993 221254253 /nfs/dbraw/zinc/25/42/53/221254253.db2.gz VAAUAJKUOHCHDY-UHFFFAOYSA-N 1 0 370.453 2.224 50 0 FEAARO COc1ccc(-n2ccnc2CN2CCC3(CC2)C[N@H+](C)CCN3C)cc1 ZINC000067642101 221265549 /nfs/dbraw/zinc/26/55/49/221265549.db2.gz VXLNLXPJAHWBHJ-UHFFFAOYSA-N 1 0 369.513 2.093 50 0 FEAARO CC[NH+](CC)Cc1cnc2c(C(=O)Nc3cccc(CO)c3)cnn2c1 ZINC000067514710 221258435 /nfs/dbraw/zinc/25/84/35/221258435.db2.gz PHNBDUXDMPYLEO-UHFFFAOYSA-N 1 0 353.426 2.316 50 0 FEAARO COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(C)o3)CC2)C1 ZINC000067724348 221276430 /nfs/dbraw/zinc/27/64/30/221276430.db2.gz QUHXARORXUDEGF-KRWDZBQOSA-N 1 0 363.502 2.027 50 0 FEAARO CCC1=NO[C@H](Cn2nc(C3CC[NH2+]CC3)n(Cc3ccccc3)c2=O)C1 ZINC000067696540 221274187 /nfs/dbraw/zinc/27/41/87/221274187.db2.gz QQICUOBAGLSJES-SFHVURJKSA-N 1 0 369.469 2.115 50 0 FEAARO CN1CCCN(C(=O)c2nc3c(s2)CCCC3)CC12CC[NH+](C)CC2 ZINC000067805804 221289129 /nfs/dbraw/zinc/28/91/29/221289129.db2.gz VFCKRAVDTWRPBL-UHFFFAOYSA-N 1 0 362.543 2.264 50 0 FEAARO COc1ccccc1OCc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)no1 ZINC000067756301 221281701 /nfs/dbraw/zinc/28/17/01/221281701.db2.gz RIIACMYNXGPQTM-CQSZACIVSA-N 1 0 359.426 2.428 50 0 FEAARO C[C@H](NC(=O)c1nc(-c2ccccc2)cs1)c1nnc2n1CC[NH2+]CC2 ZINC000067774700 221284696 /nfs/dbraw/zinc/28/46/96/221284696.db2.gz GLKMFMRBTGLNTA-LBPRGKRZSA-N 1 0 368.466 2.038 50 0 FEAARO Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)[C@@H]3CCOC3)CC2)nc1 ZINC000067788201 221285585 /nfs/dbraw/zinc/28/55/85/221285585.db2.gz JBPPAWLWZAKCPM-GOSISDBHSA-N 1 0 357.498 2.383 50 0 FEAARO [NH3+]CCCNc1ccc(C(=O)N2CCCC[C@H]2CCn2cccn2)cn1 ZINC000067886016 221301201 /nfs/dbraw/zinc/30/12/01/221301201.db2.gz ZFNKSULZJZKEPB-KRWDZBQOSA-N 1 0 356.474 2.124 50 0 FEAARO Cc1cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[NH2+]CC3)ccc1F ZINC000067974889 221310843 /nfs/dbraw/zinc/31/08/43/221310843.db2.gz XLGVSIWRWYAVOA-MRXNPFEDSA-N 1 0 359.449 2.389 50 0 FEAARO CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc[nH+]cc2)n(C)n1 ZINC000071195714 221336153 /nfs/dbraw/zinc/33/61/53/221336153.db2.gz CMCLITPFDLAPLD-INIZCTEOSA-N 1 0 350.426 2.371 50 0 FEAARO CCC(=O)Nc1ccc(OCC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000071479509 221349824 /nfs/dbraw/zinc/34/98/24/221349824.db2.gz JMDUWAYCWDLBKK-UHFFFAOYSA-N 1 0 359.470 2.406 50 0 FEAARO CC(C)[C@@H]1CN(C(=O)c2cnc[nH]c2=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071746872 221359549 /nfs/dbraw/zinc/35/95/49/221359549.db2.gz KCELSYRFYDSWSD-SFHVURJKSA-N 1 0 372.444 2.282 50 0 FEAARO CS(=O)(=O)c1cnc(COc2cccc(F)c2)nc1[C@@H]1CCC[NH2+]C1 ZINC000071749482 221361227 /nfs/dbraw/zinc/36/12/27/221361227.db2.gz MANMJLJNOJHJJM-GFCCVEGCSA-N 1 0 365.430 2.065 50 0 FEAARO O=C(NCC(F)F)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071750219 221362428 /nfs/dbraw/zinc/36/24/28/221362428.db2.gz XWPQSJHTUZPFJM-INIZCTEOSA-N 1 0 366.456 2.139 50 0 FEAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cs1 ZINC000071762833 221369301 /nfs/dbraw/zinc/36/93/01/221369301.db2.gz YRUCXFFAUWERKN-OAHLLOKOSA-N 1 0 362.543 2.407 50 0 FEAARO COc1ccc(OC)c([C@@H]2CCN(c3nc(C)nc4c3CC[NH2+]C4)C2)c1 ZINC000071763363 221370124 /nfs/dbraw/zinc/37/01/24/221370124.db2.gz GHYIUAMWJYKZNN-CQSZACIVSA-N 1 0 354.454 2.442 50 0 FEAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NC[C@@]3(O)CC[NH2+]C3)c2c1 ZINC000072172807 221448066 /nfs/dbraw/zinc/44/80/66/221448066.db2.gz QFJLUQWBDBVGRO-OAQYLSRUSA-N 1 0 362.433 2.059 50 0 FEAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1c[nH]cn1 ZINC000082106969 542684361 /nfs/dbraw/zinc/68/43/61/542684361.db2.gz HDTIYPCVKYDMDS-FQEVSTJZSA-N 1 0 353.470 2.252 50 0 FEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccccc1-n1cncn1 ZINC000082136893 542685767 /nfs/dbraw/zinc/68/57/67/542685767.db2.gz GETVEVUCWBOJBV-GOSISDBHSA-N 1 0 361.449 2.396 50 0 FEAARO C[NH+](C)CCN1C[C@]2(CCCN(C(=O)CCC(F)(F)F)C2)CCC1=O ZINC000082161722 542686159 /nfs/dbraw/zinc/68/61/59/542686159.db2.gz LDVCVNJKFOHJSH-MRXNPFEDSA-N 1 0 363.424 2.122 50 0 FEAARO O=C(c1cscn1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000078483041 132190365 /nfs/dbraw/zinc/19/03/65/132190365.db2.gz CVRXBJCAEXBYOM-INIZCTEOSA-N 1 0 371.510 2.213 50 0 FEAARO COc1cccc(N2CCN(C(=O)C[N@H+]3[C@H](C)CCC[C@@H]3C)CC2=O)c1 ZINC000082160620 132197691 /nfs/dbraw/zinc/19/76/91/132197691.db2.gz OFYLOTOOGXYEMV-IYBDPMFKSA-N 1 0 359.470 2.133 50 0 FEAARO C[NH+]1CCC(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)CC1 ZINC000097532432 132229663 /nfs/dbraw/zinc/22/96/63/132229663.db2.gz YOKDQBDKUNZFHG-UHFFFAOYSA-N 1 0 365.481 2.134 50 0 FEAARO CCCc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)n2ncnc2n1 ZINC000180177440 132266011 /nfs/dbraw/zinc/26/60/11/132266011.db2.gz XMMLKGQNKWCQEV-UHFFFAOYSA-N 1 0 372.517 2.406 50 0 FEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000223239767 132278876 /nfs/dbraw/zinc/27/88/76/132278876.db2.gz LEDHDYHSWXRIDD-UHFFFAOYSA-N 1 0 372.904 2.239 50 0 FEAARO O[C@@]1(c2ccccc2)CC[N@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000252504205 132293080 /nfs/dbraw/zinc/29/30/80/132293080.db2.gz VIFAEVWQUMRENH-QFIPXVFZSA-N 1 0 351.494 2.402 50 0 FEAARO CNC(=O)CCc1ccccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000299766840 132298437 /nfs/dbraw/zinc/29/84/37/132298437.db2.gz GDZHXPGTYWKVHF-UHFFFAOYSA-N 1 0 367.453 2.114 50 0 FEAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1c(C)nc(N)nc1C)C2 ZINC000091364517 542805575 /nfs/dbraw/zinc/80/55/75/542805575.db2.gz AWDGRKMMTBUSDK-IAGOWNOFSA-N 1 0 357.502 2.107 50 0 FEAARO COC(=O)CNC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091410084 542805975 /nfs/dbraw/zinc/80/59/75/542805975.db2.gz SEYAOJBVHOBTFE-KRWDZBQOSA-N 1 0 359.470 2.071 50 0 FEAARO O=C(C1CCCCC1)N1CC[C@@]2(O)CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC000091391423 542806290 /nfs/dbraw/zinc/80/62/90/542806290.db2.gz JCANVPUUJADJOK-FPOVZHCZSA-N 1 0 357.498 2.447 50 0 FEAARO CSCc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)o1 ZINC000091444625 542807521 /nfs/dbraw/zinc/80/75/21/542807521.db2.gz MHPHJBXCCUPBFR-HUUCEWRRSA-N 1 0 352.500 2.309 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](CCOc3ccc(F)cc3)C2)C1=O ZINC000091468297 542809016 /nfs/dbraw/zinc/80/90/16/542809016.db2.gz AKXIUELLXRNJQH-LJQANCHMSA-N 1 0 350.434 2.165 50 0 FEAARO COc1cccc(Cn2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)c1OC ZINC000091304705 542803671 /nfs/dbraw/zinc/80/36/71/542803671.db2.gz BUPLKOHYZZKTDS-UHFFFAOYSA-N 1 0 368.441 2.132 50 0 FEAARO C[C@@H]1C[N@H+](CCC(=O)NC2CCCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000091325776 542804538 /nfs/dbraw/zinc/80/45/38/542804538.db2.gz JXNZRQAZJONDJD-UZLBHIALSA-N 1 0 352.519 2.325 50 0 FEAARO CCOC(=O)N1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)CC1 ZINC000091645629 542817863 /nfs/dbraw/zinc/81/78/63/542817863.db2.gz KHZAMNWPXQFIDS-HXUWFJFHSA-N 1 0 363.502 2.332 50 0 FEAARO CC(C)(C)c1cc(C[NH+]2CCC3(CCC(=O)N(CCCO)C3)CC2)[nH]n1 ZINC000091585613 542813351 /nfs/dbraw/zinc/81/33/51/542813351.db2.gz FKUHKCHMVFPPNR-UHFFFAOYSA-N 1 0 362.518 2.294 50 0 FEAARO Cc1occc1C(=O)N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000091713397 542821354 /nfs/dbraw/zinc/82/13/54/542821354.db2.gz BFPFZGXLFUTUQP-INIZCTEOSA-N 1 0 359.470 2.137 50 0 FEAARO CSc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCC(CO)CC3)C2)c1 ZINC000091738582 542822910 /nfs/dbraw/zinc/82/29/10/542822910.db2.gz BUCDHLDTTAZYJI-RTBURBONSA-N 1 0 364.555 2.153 50 0 FEAARO Cc1cc(C)c2[nH]c(C[NH2+]CCCN3CCC[C@@H](CO)C3)cc(=O)c2c1 ZINC000091745534 542823036 /nfs/dbraw/zinc/82/30/36/542823036.db2.gz MIOZOFNQMGJPHO-QGZVFWFLSA-N 1 0 357.498 2.329 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c3c1CCCC3)CC2 ZINC000091745577 542823126 /nfs/dbraw/zinc/82/31/26/542823126.db2.gz PJERPJSQGISTEL-UHFFFAOYSA-N 1 0 368.485 2.021 50 0 FEAARO CCCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)n[nH]1)CC2 ZINC000091770452 542825054 /nfs/dbraw/zinc/82/50/54/542825054.db2.gz OHEWQHVGTUFDEF-UHFFFAOYSA-N 1 0 356.474 2.231 50 0 FEAARO C[NH+](C)CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1cccc(F)c1)CC2 ZINC000091876984 542830536 /nfs/dbraw/zinc/83/05/36/542830536.db2.gz CSMQQSRUDCNQJI-SJORKVTESA-N 1 0 365.449 2.151 50 0 FEAARO Cn1ccnc1C1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000091974018 542835034 /nfs/dbraw/zinc/83/50/34/542835034.db2.gz BCMTVVNPTFXNLF-UHFFFAOYSA-N 1 0 357.845 2.461 50 0 FEAARO CC[NH+]1CCC(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000057323102 136128649 /nfs/dbraw/zinc/12/86/49/136128649.db2.gz GDDVZVUDTGYNSR-UHFFFAOYSA-N 1 0 364.921 2.063 50 0 FEAARO COc1ccc(CC[NH+]2CCN(c3nc(C)nc4c3cnn4C)CC2)cc1 ZINC000058225107 136131131 /nfs/dbraw/zinc/13/11/31/136131131.db2.gz TYLOPTQSHOCATA-UHFFFAOYSA-N 1 0 366.469 2.045 50 0 FEAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(c2cnc3ccccc3n2)C[C@H]1O ZINC000071749832 136140124 /nfs/dbraw/zinc/14/01/24/136140124.db2.gz YQSSACOLODHYCI-WOJBJXKFSA-N 1 0 363.465 2.139 50 0 FEAARO CCCn1ncc(-c2ccnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2)c1C ZINC000019219070 136152191 /nfs/dbraw/zinc/15/21/91/136152191.db2.gz CXSAFMOHLOFLQH-KRWDZBQOSA-N 1 0 370.501 2.360 50 0 FEAARO Cn1nccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095352749 542957263 /nfs/dbraw/zinc/95/72/63/542957263.db2.gz BRYNQTGIWZWZSF-MAUKXSAKSA-N 1 0 350.466 2.124 50 0 FEAARO CN1CC[C@]2(CN(Cc3cccc(-n4cccn4)c3)CC[N@@H+]2C)CCC1=O ZINC000095355124 542958072 /nfs/dbraw/zinc/95/80/72/542958072.db2.gz BHISJXMRZCLDAC-NRFANRHFSA-N 1 0 367.497 2.001 50 0 FEAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)[nH]n1 ZINC000095367107 542961110 /nfs/dbraw/zinc/96/11/10/542961110.db2.gz MKKMHTDQZMJZNS-MAUKXSAKSA-N 1 0 350.466 2.422 50 0 FEAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2nncn2CCc2ccccc2)C1 ZINC000095366868 542961142 /nfs/dbraw/zinc/96/11/42/542961142.db2.gz IOCTXVWFGZJIFP-FQEVSTJZSA-N 1 0 355.486 2.259 50 0 FEAARO Cc1ccc(-c2nc(CC3CC[NH+](C)CC3)no2)cc1N1CCNC1=O ZINC000095376393 542964276 /nfs/dbraw/zinc/96/42/76/542964276.db2.gz COYXPNDXYWCSCA-UHFFFAOYSA-N 1 0 355.442 2.459 50 0 FEAARO COc1cccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)c1 ZINC000095379215 542964310 /nfs/dbraw/zinc/96/43/10/542964310.db2.gz QDWMBLYAHBCUAC-KRWDZBQOSA-N 1 0 356.470 2.473 50 0 FEAARO O=C(NCCCCC[NH+]1CCOCC1)c1cc(-c2ccccc2O)n[nH]1 ZINC000095391753 542967955 /nfs/dbraw/zinc/96/79/55/542967955.db2.gz LDPYTSHIUSZJSC-UHFFFAOYSA-N 1 0 358.442 2.015 50 0 FEAARO CCCN(CC[NH+](C)C)C(=O)c1cc(C(=O)OC)nn1-c1ccccc1 ZINC000095400082 542969097 /nfs/dbraw/zinc/96/90/97/542969097.db2.gz JYWJLTWJPFZCOU-UHFFFAOYSA-N 1 0 358.442 2.073 50 0 FEAARO O=C(COc1ccc2c(c1)CCC2)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000095426540 542969111 /nfs/dbraw/zinc/96/91/11/542969111.db2.gz GLXSFGTXXUVDIC-LEWJYISDSA-N 1 0 372.509 2.438 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(C)nc1C)CC2 ZINC000095518737 542978720 /nfs/dbraw/zinc/97/87/20/542978720.db2.gz AVSLYPCJHMNYLI-UHFFFAOYSA-N 1 0 368.485 2.216 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)c(O)c1 ZINC000095501050 542974157 /nfs/dbraw/zinc/97/41/57/542974157.db2.gz PDLUWZOIYVTLBW-OAHLLOKOSA-N 1 0 372.469 2.179 50 0 FEAARO COc1cc(C(=O)N[C@H](C)c2nc(C)no2)ccc1OC1CC[NH+](C)CC1 ZINC000095505476 542976171 /nfs/dbraw/zinc/97/61/71/542976171.db2.gz GZRUSZHYVHLYCN-GFCCVEGCSA-N 1 0 374.441 2.351 50 0 FEAARO COCC[N@H+](C)CCNC(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000095957372 542984357 /nfs/dbraw/zinc/98/43/57/542984357.db2.gz PTAZFYXCEHWHDL-UHFFFAOYSA-N 1 0 356.470 2.143 50 0 FEAARO O=C(NCc1nn(CC[NH+]2CCCC2)c(=O)c2ccccc12)C1CCCC1 ZINC000096024211 542987535 /nfs/dbraw/zinc/98/75/35/542987535.db2.gz PHWIORGVNZBCIV-UHFFFAOYSA-N 1 0 368.481 2.299 50 0 FEAARO O=C(CCc1ccc(O)cc1)N1CC[N@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095523486 542979679 /nfs/dbraw/zinc/97/96/79/542979679.db2.gz ODBHJPDFQDZIRE-HXUWFJFHSA-N 1 0 354.450 2.030 50 0 FEAARO Cc1nccn1CCC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095526341 542981293 /nfs/dbraw/zinc/98/12/93/542981293.db2.gz IJMYXIAXVVPZOQ-SFHVURJKSA-N 1 0 372.517 2.136 50 0 FEAARO COc1ccccc1C(=O)N1CC[C@](O)(c2ccccc2)[C@H]([NH+](C)C)C1 ZINC000097942693 543017265 /nfs/dbraw/zinc/01/72/65/543017265.db2.gz OZAFRQPGYOCQOM-CTNGQTDRSA-N 1 0 354.450 2.359 50 0 FEAARO Cc1ccc(CNc2nn3c(nc(C[NH+]4CCCCC4)cc3=O)[nH]2)cc1 ZINC000101795986 543045757 /nfs/dbraw/zinc/04/57/57/543045757.db2.gz MIWMOPXFVJDARP-UHFFFAOYSA-N 1 0 352.442 2.324 50 0 FEAARO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(C)c4ccccc4n3)C2)CC1 ZINC000106802665 543248527 /nfs/dbraw/zinc/24/85/27/543248527.db2.gz XKNKYFPKMSRMMX-QGZVFWFLSA-N 1 0 352.482 2.395 50 0 FEAARO COc1cc(CCC(=O)N2CC[NH2+]C[C@@H]2C)ccc1OCC(F)(F)F ZINC000126286231 543927652 /nfs/dbraw/zinc/92/76/52/543927652.db2.gz LAFDPHFYDWTKGJ-LBPRGKRZSA-N 1 0 360.376 2.389 50 0 FEAARO CS(=O)(=O)c1cnc(NC2CCCCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000072480004 221553802 /nfs/dbraw/zinc/55/38/02/221553802.db2.gz JFPLAGBRUFMTJM-ZDUSSCGKSA-N 1 0 352.504 2.482 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1COc2ccccc2C1 ZINC000095509914 221937210 /nfs/dbraw/zinc/93/72/10/221937210.db2.gz AFAAGVHINCEUSQ-SFHVURJKSA-N 1 0 351.450 2.414 50 0 FEAARO O=C([O-])[C@]12C[NH+](Cc3ccc(-c4ccccc4)s3)C[C@H]1C[N@@H+](CCO)C2 ZINC000096130961 222036724 /nfs/dbraw/zinc/03/67/24/222036724.db2.gz ZEHMTIBGGZDGDR-OXQOHEQNSA-N 1 0 372.490 2.226 50 0 FEAARO CNC(=O)CCc1ccccc1NC(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000096149821 222051233 /nfs/dbraw/zinc/05/12/33/222051233.db2.gz JZUPGRDJBBTYHZ-HNNXBMFYSA-N 1 0 358.486 2.456 50 0 FEAARO CC(=O)Nc1ccc(C)c(NC(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000096166040 222066278 /nfs/dbraw/zinc/06/62/78/222066278.db2.gz DTGVSDWRTBCPBO-OALUTQOASA-N 1 0 374.485 2.406 50 0 FEAARO C[NH2+]C1CCN(C(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 ZINC000097019645 222152492 /nfs/dbraw/zinc/15/24/92/222152492.db2.gz DSIPVVKSHGBUCR-UHFFFAOYSA-N 1 0 360.408 2.463 50 0 FEAARO Cc1ccccc1[C@H](CNC(=O)c1ccccc1-c1nn[nH]n1)[NH+](C)C ZINC000097076627 222157338 /nfs/dbraw/zinc/15/73/38/222157338.db2.gz DBERZUWVYHAGTO-KRWDZBQOSA-N 1 0 350.426 2.208 50 0 FEAARO O=C(c1ccoc1)N1CCC2(CC[NH+](Cc3ccccn3)CC2)[C@@H](CO)C1 ZINC000097217390 222168333 /nfs/dbraw/zinc/16/83/33/222168333.db2.gz CAFUXDXBRUSHCF-GOSISDBHSA-N 1 0 369.465 2.411 50 0 FEAARO CN(C(=O)Cn1[nH]c2ccccc2c1=O)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097730007 222208789 /nfs/dbraw/zinc/20/87/89/222208789.db2.gz DSTHYJRHLDQCQQ-GOSISDBHSA-N 1 0 352.438 2.091 50 0 FEAARO O=C(NCc1ccc2c(c1)CCCC2)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000097785097 222212829 /nfs/dbraw/zinc/21/28/29/222212829.db2.gz BYFPFEXOQDBPBZ-INIZCTEOSA-N 1 0 353.470 2.087 50 0 FEAARO Cc1ccccc1C[NH+]1CCN(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000102843755 222310380 /nfs/dbraw/zinc/31/03/80/222310380.db2.gz RHPTWVVVDFTTQB-RTBURBONSA-N 1 0 355.482 2.245 50 0 FEAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000102873164 222311636 /nfs/dbraw/zinc/31/16/36/222311636.db2.gz XSTLBZWIFZFJRP-RUYXUALKSA-N 1 0 350.466 2.172 50 0 FEAARO O=C(NCCc1cc2ccccc2[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000136677901 544377003 /nfs/dbraw/zinc/37/70/03/544377003.db2.gz WVABFABZXZHRTF-UHFFFAOYSA-N 1 0 356.470 2.217 50 0 FEAARO CCCn1cc(-c2ccnc(NCCC3(O)CC[NH+](C)CC3)n2)c(C)n1 ZINC000048436221 263407181 /nfs/dbraw/zinc/40/71/81/263407181.db2.gz GWJYEGIFFPAJBH-UHFFFAOYSA-N 1 0 358.490 2.317 50 0 FEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCc1cccc(Cl)c1F ZINC000426387123 263573153 /nfs/dbraw/zinc/57/31/53/263573153.db2.gz QHOJQLPKTGFAEP-LBPRGKRZSA-N 1 0 350.825 2.459 50 0 FEAARO O=C(NCC(c1ccccc1)c1ccccc1)NC[C@@]1(O)CCC[NH2+]C1 ZINC000426606808 263643743 /nfs/dbraw/zinc/64/37/43/263643743.db2.gz VNANIQJQYHOSCY-OAQYLSRUSA-N 1 0 353.466 2.232 50 0 FEAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1ccnn1CCO ZINC000426720042 263664285 /nfs/dbraw/zinc/66/42/85/263664285.db2.gz XMFWKJDENOQNCS-LJQANCHMSA-N 1 0 356.470 2.223 50 0 FEAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000248245029 519799548 /nfs/dbraw/zinc/79/95/48/519799548.db2.gz QAPCXHUSJBARQH-BHYGNILZSA-N 1 0 352.500 2.007 50 0 FEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000241301051 521656143 /nfs/dbraw/zinc/65/61/43/521656143.db2.gz LPYOSABQADEEAL-OALUTQOASA-N 1 0 357.498 2.068 50 0 FEAARO CCN1C[C@@]2(CCC[N@H+](CC(=O)NCc3ccccc3OC)C2)CCC1=O ZINC000091662999 521727452 /nfs/dbraw/zinc/72/74/52/521727452.db2.gz UGUJGDWWLJZRLJ-NRFANRHFSA-N 1 0 373.497 2.036 50 0 FEAARO COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000216382872 522365122 /nfs/dbraw/zinc/36/51/22/522365122.db2.gz RCIULVVEESRZCM-UHFFFAOYSA-N 1 0 360.454 2.085 50 0 FEAARO [NH3+]CC[C@H]1CN(C(=O)Nc2ccc(OCCc3ccccn3)cc2)CCO1 ZINC000299761169 534653129 /nfs/dbraw/zinc/65/31/29/534653129.db2.gz SRWHLMUTYNOQOE-IBGZPJMESA-N 1 0 370.453 2.285 50 0 FEAARO CCn1cc(C[NH+]2CCC(c3nnc(Cn4cccn4)n3CC)CC2)cn1 ZINC000091254987 523369461 /nfs/dbraw/zinc/36/94/61/523369461.db2.gz NYRDTQVXQPKJOP-UHFFFAOYSA-N 1 0 368.489 2.139 50 0 FEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(Cn3cccn3)c1)C2 ZINC000091461940 523887481 /nfs/dbraw/zinc/88/74/81/523887481.db2.gz YICVEDJMGJLKFQ-UYAOXDASSA-N 1 0 368.481 2.114 50 0 FEAARO C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)CC[NH2+]1 ZINC000155151856 524535669 /nfs/dbraw/zinc/53/56/69/524535669.db2.gz OTWJPVABNQQVRM-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO COc1cccc(N2CCN(C(=O)C3([NH+]4CCCC4)CCCC3)CC2=O)c1 ZINC000082138964 526146673 /nfs/dbraw/zinc/14/66/73/526146673.db2.gz OERWJVAWHWMWGT-UHFFFAOYSA-N 1 0 371.481 2.279 50 0 FEAARO Cc1cnccc1CN(C)Cc1cc2n(n1)CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000244794538 526227946 /nfs/dbraw/zinc/22/79/46/526227946.db2.gz QOPSNNAQAWXYCK-SFHVURJKSA-N 1 0 368.529 2.034 50 0 FEAARO Cc1nccc(N[C@H]2C[N@H+](CCC(=O)NC3CCCC3)C[C@@H]2C2CC2)n1 ZINC000091519417 527353220 /nfs/dbraw/zinc/35/32/20/527353220.db2.gz AIIYYROUJLKUKV-MSOLQXFVSA-N 1 0 357.502 2.356 50 0 FEAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH2+]CC2 ZINC000299772260 527721467 /nfs/dbraw/zinc/72/14/67/527721467.db2.gz UIVPOBGVMFFSNF-UHFFFAOYSA-N 1 0 358.486 2.447 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccco1 ZINC000058180814 535677144 /nfs/dbraw/zinc/67/71/44/535677144.db2.gz RDOONYOUTKUCDA-DLBZAZTESA-N 1 0 371.485 2.485 50 0 FEAARO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000182084704 547434317 /nfs/dbraw/zinc/43/43/17/547434317.db2.gz YLFGYPGRULRINZ-LBPRGKRZSA-N 1 0 365.421 2.453 50 0 FEAARO Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3COC4(C3)CC[NH2+]CC4)cc2)n1 ZINC000215093285 548668094 /nfs/dbraw/zinc/66/80/94/548668094.db2.gz PJKJIEBUNQUMSC-LJQANCHMSA-N 1 0 368.481 2.189 50 0 FEAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H]3C(=O)N3CCOCC3)c2)n1 ZINC000215410588 548670855 /nfs/dbraw/zinc/67/08/55/548670855.db2.gz DJMSMDXBEHLWJC-FQEVSTJZSA-N 1 0 368.481 2.312 50 0 FEAARO COc1cc(F)c(CN2CCN(C3CC[NH+](C)CC3)CC2)cc1OC ZINC000215476810 548671090 /nfs/dbraw/zinc/67/10/90/548671090.db2.gz ODSNWCMMRUNBNT-UHFFFAOYSA-N 1 0 351.466 2.055 50 0 FEAARO CC(C)[N@@H+]1CC[C@H](CN(C)Cc2ccc(OCC(N)=O)c(Cl)c2)C1 ZINC000215818199 548674523 /nfs/dbraw/zinc/67/45/23/548674523.db2.gz ILDUDZWIBHMTAA-OAHLLOKOSA-N 1 0 353.894 2.366 50 0 FEAARO O=C([C@@H]1C[NH2+]CCO1)N(CCc1ccc(Cl)cc1)Cc1cccnc1 ZINC000216086849 548676099 /nfs/dbraw/zinc/67/60/99/548676099.db2.gz TXGYZOHCUOGUJP-SFHVURJKSA-N 1 0 359.857 2.295 50 0 FEAARO O=C([C@H]1C[NH2+]CCO1)N(CCc1ccc(Cl)cc1)Cc1cccnc1 ZINC000216086895 548676474 /nfs/dbraw/zinc/67/64/74/548676474.db2.gz TXGYZOHCUOGUJP-GOSISDBHSA-N 1 0 359.857 2.295 50 0 FEAARO CCn1cc(S(=O)(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cn1 ZINC000216468450 548677582 /nfs/dbraw/zinc/67/75/82/548677582.db2.gz GSJMGLLNUVJFCW-QGZVFWFLSA-N 1 0 354.520 2.034 50 0 FEAARO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(OCc2ccccc2F)cc1 ZINC000218891542 548690209 /nfs/dbraw/zinc/69/02/09/548690209.db2.gz MDCPELGVTHOLPK-SFHVURJKSA-N 1 0 371.456 2.380 50 0 FEAARO C[C@@H](Cc1cccnc1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000219656796 548695303 /nfs/dbraw/zinc/69/53/03/548695303.db2.gz RGDSZXMQUSFTDV-KRWDZBQOSA-N 1 0 352.482 2.190 50 0 FEAARO CC(=O)c1c(C)nn(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000219730024 548696589 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50 0 FEAARO C[C@H]1CN(C(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)CC[NH2+]1 ZINC000237587481 548836416 /nfs/dbraw/zinc/83/64/16/548836416.db2.gz OFSCQHWRTDIJBH-VIFPVBQESA-N 1 0 373.766 2.373 50 0 FEAARO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000237756747 548850711 /nfs/dbraw/zinc/85/07/11/548850711.db2.gz AVNSPSCPIJUPAC-KRWDZBQOSA-N 1 0 357.433 2.189 50 0 FEAARO [NH3+]CC(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000237946675 548867322 /nfs/dbraw/zinc/86/73/22/548867322.db2.gz YWFLAVWBZPRAET-GFCCVEGCSA-N 1 0 365.231 2.045 50 0 FEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCc1c(C)[nH]c2ccccc2c1=O ZINC000243893126 548888948 /nfs/dbraw/zinc/88/89/48/548888948.db2.gz ANZPXGPLUJKFCZ-OALUTQOASA-N 1 0 371.481 2.405 50 0 FEAARO CC(C)n1ccnc1C1CCN(Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000243901849 548890029 /nfs/dbraw/zinc/89/00/29/548890029.db2.gz BEUPEYZJGYCHPU-WKILWMFISA-N 1 0 357.506 2.177 50 0 FEAARO NC(=O)c1ccc(OCCCN2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000244652049 548891779 /nfs/dbraw/zinc/89/17/79/548891779.db2.gz GYVRWNMTYZFOKQ-UHFFFAOYSA-N 1 0 363.527 2.068 50 0 FEAARO CCn1c(CN(C)CCc2nc3c(cccc3C)[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244673915 548891949 /nfs/dbraw/zinc/89/19/49/548891949.db2.gz HXYQTGLAGGKBQF-GASCZTMLSA-N 1 0 367.501 2.362 50 0 FEAARO COc1ccccc1CNC(=O)CC[N@@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000244774081 548894967 /nfs/dbraw/zinc/89/49/67/548894967.db2.gz PNLLAKMLSNTDHX-MRXNPFEDSA-N 1 0 370.453 2.077 50 0 FEAARO COCc1nnc(NC(=O)CN(C)Cc2cccc3cccnc32)s1 ZINC000244898879 548898112 /nfs/dbraw/zinc/89/81/12/548898112.db2.gz ZDEQSWYTIHSGFR-UHFFFAOYSA-N 1 0 357.439 2.303 50 0 FEAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000247757707 549377797 /nfs/dbraw/zinc/37/77/97/549377797.db2.gz FJQHNQMZQRWMAE-QUCCMNQESA-N 1 0 369.509 2.418 50 0 FEAARO Cc1nc(CC2CC[NH+](CC(=O)NCCc3ccc(F)cc3)CC2)no1 ZINC000252479776 549666260 /nfs/dbraw/zinc/66/62/60/549666260.db2.gz BMTHJWTYVHNZDT-UHFFFAOYSA-N 1 0 360.433 2.131 50 0 FEAARO CN1c2ccccc2[C@@]2(CCC[N@H+](CCC(=O)Nc3nccs3)C2)C1=O ZINC000252508441 549671163 /nfs/dbraw/zinc/67/11/63/549671163.db2.gz XNKRBFQXUGQCSX-IBGZPJMESA-N 1 0 370.478 2.482 50 0 FEAARO COCCn1c(CN(C)C/C=C/c2ccccc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539205 549673730 /nfs/dbraw/zinc/67/37/30/549673730.db2.gz NWMQRRDQQJVBBB-SOFAQEJWSA-N 1 0 355.486 2.274 50 0 FEAARO C[NH+](C)CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000252550908 549673812 /nfs/dbraw/zinc/67/38/12/549673812.db2.gz TULBOWGKUXOJAG-AWEZNQCLSA-N 1 0 364.456 2.385 50 0 FEAARO Cc1cc(=O)c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cn1C1CC1 ZINC000253404954 549686211 /nfs/dbraw/zinc/68/62/11/549686211.db2.gz GEVREANZWQLICS-UHFFFAOYSA-N 1 0 361.486 2.111 50 0 FEAARO COC(=O)c1cn(-c2cccc(C[NH+]3CCCC3)c2)cc2c(=O)[nH]nc1-2 ZINC000253401402 549686440 /nfs/dbraw/zinc/68/64/40/549686440.db2.gz FPBGJPYJBCDGSN-UHFFFAOYSA-N 1 0 352.394 2.048 50 0 FEAARO Cn1cc([C@@H]2c3nccn3CCCN2C(=O)Cc2cccc(F)c2)cn1 ZINC000257182237 549712428 /nfs/dbraw/zinc/71/24/28/549712428.db2.gz GIGCYIGQPSFYOG-GOSISDBHSA-N 1 0 353.401 2.320 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)CC2)cc1OC ZINC000257183792 549713607 /nfs/dbraw/zinc/71/36/07/549713607.db2.gz HYXWGDNDDRKHNF-INIZCTEOSA-N 1 0 362.470 2.278 50 0 FEAARO O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000283723937 551416783 /nfs/dbraw/zinc/41/67/83/551416783.db2.gz VMDTUVVBXULURM-UFYCRDLUSA-N 1 0 372.509 2.335 50 0 FEAARO Cc1nn(C)c(=O)c(-c2nc(C[NH2+][C@@H]3CCC[C@@]3(C)CO)cs2)c1C ZINC000329949936 554037417 /nfs/dbraw/zinc/03/74/17/554037417.db2.gz BZWIEXYWTWLORZ-KDOFPFPSSA-N 1 0 362.499 2.161 50 0 FEAARO CC(C)NC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375282235 558004065 /nfs/dbraw/zinc/00/40/65/558004065.db2.gz YMECVQLFXOYZGL-HXUWFJFHSA-N 1 0 359.470 2.266 50 0 FEAARO Cc1ccn2cc(CNC(=O)N3CCC([NH+]4CCSCC4)CC3)nc2c1 ZINC000426503548 559736070 /nfs/dbraw/zinc/73/60/70/559736070.db2.gz QUWQBCLTNXYRBA-UHFFFAOYSA-N 1 0 373.526 2.366 50 0 FEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NCc1cnc2cnccn12 ZINC000426541208 559737279 /nfs/dbraw/zinc/73/72/79/559737279.db2.gz FUNBEJZAWFGAIR-UHFFFAOYSA-N 1 0 359.817 2.040 50 0 FEAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ncc(F)c(NC)n3)cc2)C1 ZINC000426571825 559738074 /nfs/dbraw/zinc/73/80/74/559738074.db2.gz SGBMQNWUWOKGNG-CQSZACIVSA-N 1 0 371.460 2.208 50 0 FEAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)N(C)Cc2nc(-c3ccccn3)no2)C1 ZINC000426690201 559740257 /nfs/dbraw/zinc/74/02/57/559740257.db2.gz APBHWHDOTRJNHL-HNNXBMFYSA-N 1 0 372.473 2.395 50 0 FEAARO Cc1ccccc1[C@H](CNC(=O)N1CCCNC(=O)C1)[NH+]1CCC(C)CC1 ZINC000534578301 562537223 /nfs/dbraw/zinc/53/72/23/562537223.db2.gz KOJFWVGUOKWRHR-IBGZPJMESA-N 1 0 372.513 2.300 50 0 FEAARO CO[C@]12CC[N@H+](Cc3[nH]cnc3C)[C@H]1C[C@H](NC(=O)c1ccncc1)CC2 ZINC000534644228 562539034 /nfs/dbraw/zinc/53/90/34/562539034.db2.gz WTXOGVMYIYNPCD-IMFGXOCKSA-N 1 0 369.469 2.055 50 0 FEAARO Cc1c[nH+]ccc1NCCNC(=O)N1CCC(c2nc(C(C)C)no2)CC1 ZINC000426435388 570605295 /nfs/dbraw/zinc/60/52/95/570605295.db2.gz JXFOQHTUWFRLOR-UHFFFAOYSA-N 1 0 372.473 2.319 50 0 FEAARO CC(C)[NH+]1CCC(N2CCN(Cc3cccc(O)c3)C[C@H]2CCO)CC1 ZINC000104637843 570860518 /nfs/dbraw/zinc/86/05/18/570860518.db2.gz RTFYCRHMUHXZOB-HXUWFJFHSA-N 1 0 361.530 2.134 50 0 FEAARO O=C(CCNC(=O)c1ccc(F)cc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000045085740 570905263 /nfs/dbraw/zinc/90/52/63/570905263.db2.gz WNJPOMGNVSWJCB-UHFFFAOYSA-N 1 0 365.424 2.172 50 0 FEAARO O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)c1cncc(Br)c1 ZINC000575605424 571163392 /nfs/dbraw/zinc/16/33/92/571163392.db2.gz FKNYPZZYAAOPHU-OAHLLOKOSA-N 1 0 368.275 2.075 50 0 FEAARO Cc1cnccc1-c1cccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000426401614 571220195 /nfs/dbraw/zinc/22/01/95/571220195.db2.gz DTPHAPYREHLOSM-IBGZPJMESA-N 1 0 350.466 2.177 50 0 FEAARO COc1cccc(OC)c1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12 ZINC000426403869 571220470 /nfs/dbraw/zinc/22/04/70/571220470.db2.gz ZUGZCULATUPNLP-UIAACRFSSA-N 1 0 365.470 2.225 50 0 FEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(Cn2nc(C)cc2C)cc1 ZINC000426412479 571221843 /nfs/dbraw/zinc/22/18/43/571221843.db2.gz VDTHPGAVBHTEPQ-OALUTQOASA-N 1 0 371.485 2.389 50 0 FEAARO CN(Cc1cccc(O)c1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000426422678 571223422 /nfs/dbraw/zinc/22/34/22/571223422.db2.gz ABACQZNEYFTKLX-UHFFFAOYSA-N 1 0 374.529 2.484 50 0 FEAARO O=C(c1ccnc(-n2cnnc2)c1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000426434411 571225042 /nfs/dbraw/zinc/22/50/42/571225042.db2.gz CQCPEQDDPFVUKZ-FQEVSTJZSA-N 1 0 366.469 2.000 50 0 FEAARO COc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)ccc1OCC[NH3+] ZINC000426438753 571225354 /nfs/dbraw/zinc/22/53/54/571225354.db2.gz PHULELCXXOOKGW-HNNXBMFYSA-N 1 0 369.343 2.461 50 0 FEAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)NCCN1CCCCC1=O ZINC000426441743 571225442 /nfs/dbraw/zinc/22/54/42/571225442.db2.gz HYRGFYNAHJLSLX-UHFFFAOYSA-N 1 0 372.513 2.436 50 0 FEAARO COC(=O)c1cc(F)c(-c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)cc1OC ZINC000584886601 571313875 /nfs/dbraw/zinc/31/38/75/571313875.db2.gz QZQNQDWBLMFKQH-AWEZNQCLSA-N 1 0 372.396 2.461 50 0 FEAARO C[C@H]1CCCC[N@@H+]1CCN(C)C(=O)NCc1cccc(C(=O)N(C)C)c1 ZINC000584886738 571313880 /nfs/dbraw/zinc/31/38/80/571313880.db2.gz ZTAJIHRYCRKROH-INIZCTEOSA-N 1 0 360.502 2.404 50 0 FEAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000584887134 571314025 /nfs/dbraw/zinc/31/40/25/571314025.db2.gz JEQPKUSCJWMAMN-KRWDZBQOSA-N 1 0 360.477 2.137 50 0 FEAARO CC(C)n1ncnc1-c1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000584892200 571314815 /nfs/dbraw/zinc/31/48/15/571314815.db2.gz DZSQPCSBETWJGH-GOSISDBHSA-N 1 0 371.485 2.103 50 0 FEAARO Cc1cc(-c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)cnc1-n1cnnc1 ZINC000584893668 571314889 /nfs/dbraw/zinc/31/48/89/571314889.db2.gz ZVZGWBDCKDVLPJ-HNNXBMFYSA-N 1 0 362.437 2.072 50 0 FEAARO Cc1nc(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)cc2)c(C)[nH]1 ZINC000584898036 571315757 /nfs/dbraw/zinc/31/57/57/571315757.db2.gz QPYDFVJDXTZKQI-MRXNPFEDSA-N 1 0 356.470 2.128 50 0 FEAARO CC[C@H](NC(=O)N1CCC(O)(C[NH+]2CCCC2)CC1)c1ccc(O)cc1 ZINC000584899381 571315881 /nfs/dbraw/zinc/31/58/81/571315881.db2.gz PYEHYAAIIIVKRY-SFHVURJKSA-N 1 0 361.486 2.476 50 0 FEAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1-c1nn[nH]n1 ZINC000670458866 571356119 /nfs/dbraw/zinc/35/61/19/571356119.db2.gz DCSJABFTSLHKHO-ZDUSSCGKSA-N 1 0 368.466 2.323 50 0 FEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(OC)c(F)c3)C2)C1=O ZINC000012196522 670001094 /nfs/dbraw/zinc/00/10/94/670001094.db2.gz HTUOQAWBVASWFP-LJQANCHMSA-N 1 0 350.434 2.295 50 0 FEAARO O=C(NCc1nc2ccccc2c(=O)[nH]1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020166232 670030053 /nfs/dbraw/zinc/03/00/53/670030053.db2.gz YXRPRXMBVBLOMF-CYBMUJFWSA-N 1 0 354.435 2.339 50 0 FEAARO O=C(CCc1ccc(Cl)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091877208 670733246 /nfs/dbraw/zinc/73/32/46/670733246.db2.gz RHMAFYNUTXPKBM-IAGOWNOFSA-N 1 0 350.890 2.435 50 0 FEAARO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cn(C)nc2C)C1 ZINC000190674057 672646347 /nfs/dbraw/zinc/64/63/47/672646347.db2.gz LZDWROLVORDASD-AWEZNQCLSA-N 1 0 362.503 2.479 50 0 FEAARO O=C1CC[C@@H]([N@@H+]2CCC[C@@H](O)C2)CCN1CCOc1ccc(F)cc1 ZINC000257372104 672899343 /nfs/dbraw/zinc/89/93/43/672899343.db2.gz CHIZAJRLCVAVBV-IAGOWNOFSA-N 1 0 350.434 2.042 50 0 FEAARO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ncc(Br)cn1 ZINC000624111732 676565218 /nfs/dbraw/zinc/56/52/18/676565218.db2.gz CTRBBQKMDUPQJW-NWDGAFQWSA-N 1 0 370.295 2.331 50 0 FEAARO Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652384807 677485786 /nfs/dbraw/zinc/48/57/86/677485786.db2.gz ODCAAKIRQZNYJS-NUEKZKHPSA-N 1 0 356.463 2.184 50 0 FEAARO COc1c2c(cc3c1[C@H](c1nnnn1C1CCCCC1)N(C)CC3)OCO2 ZINC000002128396 539344933 /nfs/dbraw/zinc/34/49/33/539344933.db2.gz BKDUDYJWAQAMQE-MRXNPFEDSA-N 1 0 371.441 2.493 50 0 biogenic FEAARO CNC(=O)C1(NC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)CCCCC1 ZINC000299762311 529841074 /nfs/dbraw/zinc/84/10/74/529841074.db2.gz UKNLULZMHWDEQB-UHFFFAOYSA-N 1 0 367.877 2.246 50 0 FEAARO O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC[NH+]1CCCC1 ZINC000003006296 539358700 /nfs/dbraw/zinc/35/87/00/539358700.db2.gz YVAPEPORXMKYPN-UHFFFAOYSA-N 1 0 374.872 2.166 50 0 FEAARO C[NH+](C)CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000003208392 539361073 /nfs/dbraw/zinc/36/10/73/539361073.db2.gz ZNKXOTSPFNZLAG-UHFFFAOYSA-N 1 0 361.467 2.169 50 0 FEAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccncc1 ZINC000004271594 539380701 /nfs/dbraw/zinc/38/07/01/539380701.db2.gz DGXNRHOAPBHXCX-QGZVFWFLSA-N 1 0 367.380 2.434 50 0 FEAARO Cc1ccc(N2C[C@H](NC(=O)NCCC[NH+]3CCCCC3)CC2=O)cc1 ZINC000004373159 539383807 /nfs/dbraw/zinc/38/38/07/539383807.db2.gz VJXWZQNCVSZGEQ-QGZVFWFLSA-N 1 0 358.486 2.276 50 0 FEAARO COc1ccc(C[NH2+]CCNC(=O)c2cccs2)c(OC)c1OC ZINC000004498136 539386437 /nfs/dbraw/zinc/38/64/37/539386437.db2.gz RVLUDERAUNEUFL-UHFFFAOYSA-N 1 0 350.440 2.294 50 0 FEAARO Cn1c(=O)cc(OCC(=O)NCCC[NH+]2CCCCCC2)c2ccccc21 ZINC000005066463 539401237 /nfs/dbraw/zinc/40/12/37/539401237.db2.gz YPDTXNNOFWZGKW-UHFFFAOYSA-N 1 0 371.481 2.300 50 0 FEAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000004977435 539397252 /nfs/dbraw/zinc/39/72/52/539397252.db2.gz XZZMZYXJQAQCBB-HNNXBMFYSA-N 1 0 350.459 2.490 50 0 FEAARO COCC[N@@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](O)COC ZINC000005095790 539402007 /nfs/dbraw/zinc/40/20/07/539402007.db2.gz JUDQUTMTIFALAM-LJQANCHMSA-N 1 0 350.434 2.131 50 0 FEAARO COc1ccc(-c2nc3ccc(N4CC[NH+](C)CC4)cc3c(=O)[nH]2)cc1 ZINC000005799928 539417309 /nfs/dbraw/zinc/41/73/09/539417309.db2.gz BGTVUQRELCSMGE-UHFFFAOYSA-N 1 0 350.422 2.351 50 0 FEAARO COCc1nc(NCCc2nc3c(c(C)n2)CCC3)cc(C2CC([NH3+])C2)n1 ZINC000219238828 222696555 /nfs/dbraw/zinc/69/65/55/222696555.db2.gz HTMXQHSCSYTPLM-UHFFFAOYSA-N 1 0 368.485 2.069 50 0 FEAARO CC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006784894 539436768 /nfs/dbraw/zinc/43/67/68/539436768.db2.gz WBKGJHOCINBDKK-ZIAGYGMSSA-N 1 0 353.488 2.186 50 0 FEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000006805365 539438201 /nfs/dbraw/zinc/43/82/01/539438201.db2.gz POBVLAGIXZIADJ-OAHLLOKOSA-N 1 0 354.454 2.433 50 0 FEAARO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000007015496 539444549 /nfs/dbraw/zinc/44/45/49/539444549.db2.gz LATBZKAKWBWNKB-SFHVURJKSA-N 1 0 373.449 2.476 50 0 FEAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2cnc3ccccc3n2)n1 ZINC000222287380 222732514 /nfs/dbraw/zinc/73/25/14/222732514.db2.gz WWUYULZNRQQSJO-UHFFFAOYSA-N 1 0 364.453 2.407 50 0 FEAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C(N)=O)CC1 ZINC000008193205 539480397 /nfs/dbraw/zinc/48/03/97/539480397.db2.gz DAZKNGWCVJHDNN-HNNXBMFYSA-N 1 0 358.486 2.201 50 0 FEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000008343748 539484390 /nfs/dbraw/zinc/48/43/90/539484390.db2.gz NDAIWXAKSLKACX-WOJBJXKFSA-N 1 0 365.477 2.454 50 0 FEAARO COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3oc2=O)[NH+](C)C)cc1 ZINC000009166021 539498604 /nfs/dbraw/zinc/49/86/04/539498604.db2.gz MQWLYQJRTCZFAA-QGZVFWFLSA-N 1 0 369.421 2.022 50 0 FEAARO O=C(NCC[NH+]1CCCC1)c1cccc(NC(=O)C2=CSCCO2)c1 ZINC000009738659 539507138 /nfs/dbraw/zinc/50/71/38/539507138.db2.gz LGTPSXFEIZZYHY-UHFFFAOYSA-N 1 0 361.467 2.056 50 0 FEAARO CC(C)NS(=O)(=O)c1ccc(NCc2ccccc2C[NH+](C)C)nc1 ZINC000009954475 539509766 /nfs/dbraw/zinc/50/97/66/539509766.db2.gz GKPXRMFXTGVYSG-UHFFFAOYSA-N 1 0 362.499 2.442 50 0 FEAARO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000010111252 539512343 /nfs/dbraw/zinc/51/23/43/539512343.db2.gz PBHXLSKEWFKRQT-UHFFFAOYSA-N 1 0 353.488 2.189 50 0 FEAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC000011839787 539535945 /nfs/dbraw/zinc/53/59/45/539535945.db2.gz LMRXDANUMIJYRI-UHFFFAOYSA-N 1 0 362.470 2.228 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccc(F)c(F)c3)C2)CC1 ZINC000011838974 539536237 /nfs/dbraw/zinc/53/62/37/539536237.db2.gz LVUSOKOAIKMMMW-HNNXBMFYSA-N 1 0 351.441 2.387 50 0 FEAARO O=C(NC1CCCC1)c1cn(C2CC[NH+](Cc3cccnc3)CC2)nn1 ZINC000012026789 539541346 /nfs/dbraw/zinc/54/13/46/539541346.db2.gz PYHXDNRGSNOMJZ-UHFFFAOYSA-N 1 0 354.458 2.183 50 0 FEAARO CC[NH+]1CCN(c2ccc(C(=O)NCCCc3c(C)noc3C)cn2)CC1 ZINC000012049551 539541765 /nfs/dbraw/zinc/54/17/65/539541765.db2.gz IANGNCRGNUIMCK-UHFFFAOYSA-N 1 0 371.485 2.191 50 0 FEAARO COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012196187 539549791 /nfs/dbraw/zinc/54/97/91/539549791.db2.gz ZIUSFSIMXUGVDG-CQSZACIVSA-N 1 0 372.421 2.465 50 0 FEAARO O=C1C[C@@H]([NH2+]C2CSCCSC2)CN1CCc1ccc(F)cc1 ZINC000012441501 539560068 /nfs/dbraw/zinc/56/00/68/539560068.db2.gz FCAFUMNHFDJFQX-OAHLLOKOSA-N 1 0 354.516 2.407 50 0 FEAARO CSCCC[N@@H+]1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@H](O)C1 ZINC000012448634 539561037 /nfs/dbraw/zinc/56/10/37/539561037.db2.gz SKBYUXVETUZCNJ-RTBURBONSA-N 1 0 367.534 2.136 50 0 FEAARO C[C@H]([NH2+]CC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1cccc(Cl)c1 ZINC000012761827 539572542 /nfs/dbraw/zinc/57/25/42/539572542.db2.gz IYLIAPDVVAWFHG-YVEFUNNKSA-N 1 0 373.840 2.270 50 0 FEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccccc3)CC2)[nH+]1 ZINC000017012528 539638041 /nfs/dbraw/zinc/63/80/41/539638041.db2.gz CEAIUXAHFJEJIW-UHFFFAOYSA-N 1 0 351.454 2.348 50 0 FEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000017012471 539638677 /nfs/dbraw/zinc/63/86/77/539638677.db2.gz DPKLGLHFHHCYOQ-UHFFFAOYSA-N 1 0 369.444 2.487 50 0 FEAARO CC(C)(C)CN1CCC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000020118791 539672666 /nfs/dbraw/zinc/67/26/66/539672666.db2.gz YVWVXLQTJDFDGJ-NRFANRHFSA-N 1 0 359.514 2.208 50 0 FEAARO C[NH+](C)CCNC(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000021538780 539684375 /nfs/dbraw/zinc/68/43/75/539684375.db2.gz YBMDHWNWJHYDBI-UHFFFAOYSA-N 1 0 359.499 2.099 50 0 FEAARO CCCCC(=O)Nc1ccc2c(c1)nc(CCN1CC[NH+](C)CC1)n2C ZINC000022920494 539702502 /nfs/dbraw/zinc/70/25/02/539702502.db2.gz ZKHYWIUVSPHMGV-UHFFFAOYSA-N 1 0 357.502 2.492 50 0 FEAARO Cc1cc(O[C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc(C)c1Cl ZINC000022935235 539703230 /nfs/dbraw/zinc/70/32/30/539703230.db2.gz SBJUCCSLBFDDFT-INIZCTEOSA-N 1 0 367.921 2.478 50 0 FEAARO C[C@H]1C[NH+](CCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 ZINC000023584706 539716601 /nfs/dbraw/zinc/71/66/01/539716601.db2.gz ZHDKMUXSZSGCKS-DOFAYWRZSA-N 1 0 363.502 2.280 50 0 FEAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(C)C ZINC000024991181 539746173 /nfs/dbraw/zinc/74/61/73/539746173.db2.gz QSTWVOGCHUHWMT-HNNXBMFYSA-N 1 0 370.519 2.212 50 0 FEAARO COc1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)c(OC)c1OC ZINC000000819241 219325736 /nfs/dbraw/zinc/32/57/36/219325736.db2.gz LSKLUZFQWYSELU-UHFFFAOYSA-N 1 0 350.459 2.449 50 0 FEAARO COc1ccc([C@@H]2CCC[N@@H+]2CCn2nc3ccccn3c2=O)c(OC)c1 ZINC000026908135 539796814 /nfs/dbraw/zinc/79/68/14/539796814.db2.gz FPLNSUPZDMZYQV-KRWDZBQOSA-N 1 0 368.437 2.350 50 0 FEAARO C[NH+](C)CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000001233979 219391918 /nfs/dbraw/zinc/39/19/18/219391918.db2.gz UPMWWHREYIBNTL-LCYFTJDESA-N 1 0 368.842 2.481 50 0 FEAARO COc1ccc([C@@H](CNC(=O)c2cnn(C)c2-n2cccc2)[NH+](C)C)cc1 ZINC000032202062 539930849 /nfs/dbraw/zinc/93/08/49/539930849.db2.gz RRBFNMKDMRDNQT-GOSISDBHSA-N 1 0 367.453 2.252 50 0 FEAARO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032778011 539952747 /nfs/dbraw/zinc/95/27/47/539952747.db2.gz UUMXWJCEVJINEP-MRXNPFEDSA-N 1 0 366.421 2.104 50 0 FEAARO Cc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCC(C)C)cc1 ZINC000036101701 539986990 /nfs/dbraw/zinc/98/69/90/539986990.db2.gz TZNZGTRJRXBREU-OAQYLSRUSA-N 1 0 364.530 2.163 50 0 FEAARO CCNc1cc(NCCNC(=O)c2ccc(Br)o2)nc(C)[nH+]1 ZINC000036708077 539993007 /nfs/dbraw/zinc/99/30/07/539993007.db2.gz TWHCKPJAMJLGPB-UHFFFAOYSA-N 1 0 368.235 2.414 50 0 FEAARO Cc1noc(C)c1S(=O)(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038584109 539999518 /nfs/dbraw/zinc/99/95/18/539999518.db2.gz PSYIYECBCUMTBI-UHFFFAOYSA-N 1 0 353.444 2.075 50 0 FEAARO COc1ccccc1C(=O)NCc1ccccc1CN1CC[NH+](C)CC1 ZINC000040089765 540005414 /nfs/dbraw/zinc/00/54/14/540005414.db2.gz OIPGRUPYIPFDAU-UHFFFAOYSA-N 1 0 353.466 2.373 50 0 FEAARO CCC[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccc(C)cc1 ZINC000040153415 540008134 /nfs/dbraw/zinc/00/81/34/540008134.db2.gz WDECEULGGNYCSE-UHFFFAOYSA-N 1 0 357.498 2.288 50 0 FEAARO O=C(Nc1cccc(O)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040285260 540009342 /nfs/dbraw/zinc/00/93/42/540009342.db2.gz ZBANJDWMANPQIW-UHFFFAOYSA-N 1 0 353.422 2.112 50 0 FEAARO CC[NH+](CC)CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000002498370 219447774 /nfs/dbraw/zinc/44/77/74/219447774.db2.gz VYRXBMBEYSJGLS-UHFFFAOYSA-N 1 0 358.467 2.289 50 0 FEAARO CCNC(=O)COc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1OC ZINC000236911609 222904052 /nfs/dbraw/zinc/90/40/52/222904052.db2.gz VJUSCPLQIHBILJ-KRWDZBQOSA-N 1 0 370.449 2.303 50 0 FEAARO COC(=O)c1ccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)cc1Cl ZINC000237153634 222905745 /nfs/dbraw/zinc/90/57/45/222905745.db2.gz JPSNQHKYXITXAL-HNNXBMFYSA-N 1 0 362.879 2.168 50 0 FEAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000044285506 540122886 /nfs/dbraw/zinc/12/28/86/540122886.db2.gz JFJFJHYVMYAVSC-CALCHBBNSA-N 1 0 365.543 2.463 50 0 FEAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(OCC)cc1 ZINC000045966887 540236060 /nfs/dbraw/zinc/23/60/60/540236060.db2.gz SXQSRVQPAXBVST-UHFFFAOYSA-N 1 0 361.486 2.150 50 0 FEAARO CC(=O)Nc1cccc2c1CC[N@H+](CCc1nc3ccccc3c(=O)[nH]1)C2 ZINC000054394204 540588169 /nfs/dbraw/zinc/58/81/69/540588169.db2.gz NMQMYLOZYBRPLB-UHFFFAOYSA-N 1 0 362.433 2.482 50 0 FEAARO CCc1oc(C(=O)N[C@H](COC)c2ccnn2C)cc1C[NH+]1CCCC1 ZINC000055227139 540638253 /nfs/dbraw/zinc/63/82/53/540638253.db2.gz MRFPXSJFWOLMNV-OAHLLOKOSA-N 1 0 360.458 2.289 50 0 FEAARO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000299739284 223077731 /nfs/dbraw/zinc/07/77/31/223077731.db2.gz MWAVDKPOSHMWLC-CKEIUWERSA-N 1 0 352.862 2.397 50 0 FEAARO O=C1C[C@H](C[N@@H+]2CCCN(c3ncccn3)CC2)CN1c1ccccc1 ZINC000299757657 223081793 /nfs/dbraw/zinc/08/17/93/223081793.db2.gz IGRVFDPOZFIMTD-QGZVFWFLSA-N 1 0 351.454 2.042 50 0 FEAARO C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 ZINC000058393581 540841199 /nfs/dbraw/zinc/84/11/99/540841199.db2.gz HHLKASMKDWXDAB-CYBMUJFWSA-N 1 0 352.429 2.185 50 0 FEAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)CN3C)c1 ZINC000058190781 540832107 /nfs/dbraw/zinc/83/21/07/540832107.db2.gz BMBSBDQRCILGTC-UHFFFAOYSA-N 1 0 366.465 2.457 50 0 FEAARO Cc1ccccc1CN1CCN(C(=O)CC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000299779715 223092986 /nfs/dbraw/zinc/09/29/86/223092986.db2.gz RLPARHKFEOGOPT-LJQANCHMSA-N 1 0 359.514 2.140 50 0 FEAARO O=C(Nc1ccc(SCCc2ccccn2)cc1)N[C@@H]1C[NH2+]CC[C@H]1O ZINC000299783029 223095362 /nfs/dbraw/zinc/09/53/62/223095362.db2.gz GQCSWWWNYFCSPK-QZTJIDSGSA-N 1 0 372.494 2.261 50 0 FEAARO O=C(CN1CCCCCC1=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299801305 223104470 /nfs/dbraw/zinc/10/44/70/223104470.db2.gz ZASYGVGIGUQRRR-SFHVURJKSA-N 1 0 361.461 2.481 50 0 FEAARO O=C(NCC[N@H+]1CCC[C@H](CO)C1)Nc1ccccc1OC(F)(F)F ZINC000299792802 223099496 /nfs/dbraw/zinc/09/94/96/223099496.db2.gz FVTOOZQPUBNKFM-LBPRGKRZSA-N 1 0 361.364 2.411 50 0 FEAARO O=C(c1cccc(-c2cncnc2)c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299800014 223103378 /nfs/dbraw/zinc/10/33/78/223103378.db2.gz ULMGTCXCSQGSRK-FQEVSTJZSA-N 1 0 366.465 2.471 50 0 FEAARO O=C(CCN1CC[NH2+]CC1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071755348 541771340 /nfs/dbraw/zinc/77/13/40/541771340.db2.gz BARNJICHZHXFSD-INIZCTEOSA-N 1 0 372.296 2.189 50 0 FEAARO C[NH+]1CCC(O)(CNc2cc(-c3ccccc3F)nc3ccnn32)CC1 ZINC000072120673 541784412 /nfs/dbraw/zinc/78/44/12/541784412.db2.gz TWAICOQYKBAIPU-UHFFFAOYSA-N 1 0 355.417 2.404 50 0 FEAARO CC(C)C[C@H](Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2)c1ncnn1C ZINC000072143841 541787178 /nfs/dbraw/zinc/78/71/78/541787178.db2.gz LSHGYDQQZDGGQE-HNNXBMFYSA-N 1 0 364.457 2.470 50 0 FEAARO Cc1nc2c(c(C)n1)C[C@H](C[NH+]1CCC3(CC1)c1ccccc1NC3=O)O2 ZINC000072147762 541788740 /nfs/dbraw/zinc/78/87/40/541788740.db2.gz WEWFPJMMGNNJFN-OAHLLOKOSA-N 1 0 364.449 2.383 50 0 FEAARO CC(C)Cc1cc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)on1 ZINC000072163551 541793404 /nfs/dbraw/zinc/79/34/04/541793404.db2.gz HBGPMUFSJYCUOY-MOPGFXCFSA-N 1 0 369.465 2.340 50 0 FEAARO COC(=O)[C@H](CC[NH+]1CCCCC1)NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000072306528 541798201 /nfs/dbraw/zinc/79/82/01/541798201.db2.gz CZSRBZWVAKYXSE-IXDOHACOSA-N 1 0 354.491 2.116 50 0 FEAARO Cc1ncc2c(c1CNC(=O)CCc1ccc(N(C)C)cc1)CC[NH2+]C2 ZINC000072407758 541805925 /nfs/dbraw/zinc/80/59/25/541805925.db2.gz WGYRCMPSUOZEJA-UHFFFAOYSA-N 1 0 352.482 2.351 50 0 FEAARO Cc1ncc(CC(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)c(=O)[nH]1 ZINC000072426067 541810997 /nfs/dbraw/zinc/81/09/97/541810997.db2.gz ZCDOPGABBQALKG-UHFFFAOYSA-N 1 0 360.502 2.268 50 0 FEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)c3cc4ccccc4o3)CC[C@H]21 ZINC000072429771 541812152 /nfs/dbraw/zinc/81/21/52/541812152.db2.gz VHYUCRCIELAHTH-JKSUJKDBSA-N 1 0 355.438 2.105 50 0 FEAARO O=C(C[N@H+]1CCC[C@H](O)C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000072432682 541813387 /nfs/dbraw/zinc/81/33/87/541813387.db2.gz ABPGPPFTVDTHLV-AWEZNQCLSA-N 1 0 352.862 2.167 50 0 FEAARO C[N@@H+]1CCCN(CC(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)CC1 ZINC000072463898 541817645 /nfs/dbraw/zinc/81/76/45/541817645.db2.gz CHHWJXLKTQNWJO-GOSISDBHSA-N 1 0 373.476 2.393 50 0 FEAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cnn4cccnc34)C2)c1 ZINC000072462995 541817672 /nfs/dbraw/zinc/81/76/72/541817672.db2.gz WASPFZPKXOJOIO-MRXNPFEDSA-N 1 0 365.437 2.132 50 0 FEAARO COc1cc(NC(=O)CCc2cc3n(n2)CC[NH2+]C3)ccc1N1CCCC1 ZINC000072468223 541817773 /nfs/dbraw/zinc/81/77/73/541817773.db2.gz TTZQWXVZZXAUOS-UHFFFAOYSA-N 1 0 369.469 2.166 50 0 FEAARO c1cn(CCc2cnn(-c3ccccc3)c2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072470526 541818907 /nfs/dbraw/zinc/81/89/07/541818907.db2.gz GYGGXESACQBVGF-UHFFFAOYSA-N 1 0 359.437 2.278 50 0 FEAARO COc1ccccc1OC1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000072447535 541815636 /nfs/dbraw/zinc/81/56/36/541815636.db2.gz OPRYFUYMVZPEGD-SFHVURJKSA-N 1 0 370.449 2.341 50 0 FEAARO c1nc2c(c(N3CCC4(CCCC4)C3)n1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072453885 541816049 /nfs/dbraw/zinc/81/60/49/541816049.db2.gz BBRAMMQUAANQRL-QGZVFWFLSA-N 1 0 355.530 2.400 50 0 FEAARO CCOc1ccc(NC(=O)C[C@@H]2N=C(N3C[C@H](C)C[C@@H](C)C3)NC2=O)cc1 ZINC000013685076 220085403 /nfs/dbraw/zinc/08/54/03/220085403.db2.gz BIYLAXXTVMHDRX-CPUCHLNUSA-N 1 0 372.469 2.246 50 0 FEAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NC2CCCC2)C1 ZINC000014541808 220126234 /nfs/dbraw/zinc/12/62/34/220126234.db2.gz UNWRTGSSGXZPDU-DLBZAZTESA-N 1 0 355.482 2.398 50 0 FEAARO COCCNC(=O)CCC1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC000014977137 220138623 /nfs/dbraw/zinc/13/86/23/220138623.db2.gz PZMYHDLTILHGJR-UHFFFAOYSA-N 1 0 364.486 2.459 50 0 FEAARO O=C(CCCn1cncn1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015076387 220147140 /nfs/dbraw/zinc/14/71/40/220147140.db2.gz DHSDZZQUSUYUIV-LJQANCHMSA-N 1 0 355.486 2.272 50 0 FEAARO O=C(CCCn1cncn1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000015076388 220147483 /nfs/dbraw/zinc/14/74/83/220147483.db2.gz DHSDZZQUSUYUIV-IBGZPJMESA-N 1 0 355.486 2.272 50 0 FEAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077299549 542363299 /nfs/dbraw/zinc/36/32/99/542363299.db2.gz MVNDYGCJPBMMRF-GOSISDBHSA-N 1 0 352.862 2.412 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC3(CN(CCc4ccccc4)C(=O)O3)CC2)C1 ZINC000077519532 542391406 /nfs/dbraw/zinc/39/14/06/542391406.db2.gz UWNNNHHYTUSQQF-ZWKOTPCHSA-N 1 0 371.481 2.170 50 0 FEAARO CC[N@H+](C)Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1 ZINC000077487972 542388103 /nfs/dbraw/zinc/38/81/03/542388103.db2.gz QWFVKAIHPKQEKN-UHFFFAOYSA-N 1 0 350.422 2.305 50 0 FEAARO COCCN1C[C@]2(CCC[N@H+](Cc3cn4cccc(C)c4n3)C2)CCC1=O ZINC000077503785 542389715 /nfs/dbraw/zinc/38/97/15/542389715.db2.gz HRQZQOCDSUENLX-OAQYLSRUSA-N 1 0 370.497 2.494 50 0 FEAARO C[N@H+](CCCNC(=O)c1cccc(S(C)(=O)=O)c1)Cc1ccccc1 ZINC000021938958 220370992 /nfs/dbraw/zinc/37/09/92/220370992.db2.gz OZNUOPFRQGRASD-UHFFFAOYSA-N 1 0 360.479 2.342 50 0 FEAARO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000022730353 220395207 /nfs/dbraw/zinc/39/52/07/220395207.db2.gz QZTSCSVSUHJRCC-STQMWFEESA-N 1 0 351.447 2.225 50 0 FEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCNC(=O)c2cccs2)C1 ZINC000036395832 220819264 /nfs/dbraw/zinc/81/92/64/220819264.db2.gz PJXBWUPEISBVHT-GASCZTMLSA-N 1 0 351.516 2.352 50 0 FEAARO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000058184890 221104467 /nfs/dbraw/zinc/10/44/67/221104467.db2.gz ALTSHPGUXZLJRN-CYBMUJFWSA-N 1 0 367.877 2.212 50 0 FEAARO O=C(CNC(=O)c1ccoc1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058202387 221105976 /nfs/dbraw/zinc/10/59/76/221105976.db2.gz WOJBGKFERDWPEJ-SFHVURJKSA-N 1 0 355.438 2.180 50 0 FEAARO C[NH+](C)CCn1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000058268127 221112400 /nfs/dbraw/zinc/11/24/00/221112400.db2.gz IQYPBTGKHHQSGV-SFHVURJKSA-N 1 0 358.442 2.255 50 0 FEAARO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000058293869 221113625 /nfs/dbraw/zinc/11/36/25/221113625.db2.gz NSLGDHXYFRFUBF-GOSISDBHSA-N 1 0 369.465 2.396 50 0 FEAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000063120296 221141724 /nfs/dbraw/zinc/14/17/24/221141724.db2.gz CKGWWRHQFXWCSH-ZDUSSCGKSA-N 1 0 367.405 2.269 50 0 FEAARO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCC[NH+]1CCCC1 ZINC000064847045 221153852 /nfs/dbraw/zinc/15/38/52/221153852.db2.gz SODQTVPIOPMTEI-UHFFFAOYSA-N 1 0 364.534 2.343 50 0 FEAARO O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000065257713 221189498 /nfs/dbraw/zinc/18/94/98/221189498.db2.gz VGDGKFBVKIRMRZ-IBGZPJMESA-N 1 0 369.509 2.164 50 0 FEAARO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cncc(Br)c1 ZINC000078821288 542483411 /nfs/dbraw/zinc/48/34/11/542483411.db2.gz WXYXJFGBTXMHSV-GFCCVEGCSA-N 1 0 368.275 2.075 50 0 FEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000065435710 221219928 /nfs/dbraw/zinc/21/99/28/221219928.db2.gz KOJVDMKQZSBJFB-UHFFFAOYSA-N 1 0 368.437 2.386 50 0 FEAARO Nc1nnc(CCCNC(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000065459406 221222282 /nfs/dbraw/zinc/22/22/82/221222282.db2.gz KTTXYMLMMSZQOO-CYBMUJFWSA-N 1 0 351.520 2.214 50 0 FEAARO CC(=O)Oc1c(C)cc(C[N@@H+]2CCc3nc(C)n(C)c(=O)c3CC2)cc1C ZINC000065398598 221211815 /nfs/dbraw/zinc/21/18/15/221211815.db2.gz WORCTRQJUDMHSL-UHFFFAOYSA-N 1 0 369.465 2.232 50 0 FEAARO CCCCCNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000065565331 221234218 /nfs/dbraw/zinc/23/42/18/221234218.db2.gz UDQGRQVFZWYUAV-UHFFFAOYSA-N 1 0 354.539 2.302 50 0 FEAARO C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C(=O)NCCCN2C ZINC000067695198 221273940 /nfs/dbraw/zinc/27/39/40/221273940.db2.gz PCKMDEBZXZATEI-KRWDZBQOSA-N 1 0 353.551 2.240 50 0 FEAARO O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CCC(c2cccc(O)c2)CC1 ZINC000067757609 221281559 /nfs/dbraw/zinc/28/15/59/221281559.db2.gz LHCOTPCJGJSKPZ-HNNXBMFYSA-N 1 0 369.469 2.003 50 0 FEAARO COc1c(C)cc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000067771137 221283255 /nfs/dbraw/zinc/28/32/55/221283255.db2.gz KYZQJPNIVXHPDY-UHFFFAOYSA-N 1 0 368.481 2.389 50 0 FEAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]CCc3ccc(C)o3)C2=O)c1 ZINC000067772446 221283629 /nfs/dbraw/zinc/28/36/29/221283629.db2.gz LOIVZQRFEDNASR-NRFANRHFSA-N 1 0 372.465 2.282 50 0 FEAARO CO[C@H](C)[C@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067787497 221285987 /nfs/dbraw/zinc/28/59/87/221285987.db2.gz ZUAKBDXMUCQKDX-KUHUBIRLSA-N 1 0 370.449 2.451 50 0 FEAARO CN(Cc1cc(C(=O)NC[C@]2(C)CC[N@H+](C)C2)no1)Cc1ccccc1 ZINC000067846644 221293788 /nfs/dbraw/zinc/29/37/88/221293788.db2.gz DIWWEPNLBMQITF-FQEVSTJZSA-N 1 0 356.470 2.378 50 0 FEAARO Cc1cc(=O)oc2cc(C[N@@H+]3CCc4nc(C)[nH]c(=O)c4CC3)ccc12 ZINC000067871881 221298310 /nfs/dbraw/zinc/29/83/10/221298310.db2.gz MWXGQKFILSRWSN-UHFFFAOYSA-N 1 0 351.406 2.094 50 0 FEAARO COc1ccc2[nH]c(=O)c(C[NH+]3CCC(C(=O)N4CCCC4)CC3)cc2c1 ZINC000067879916 221300096 /nfs/dbraw/zinc/30/00/96/221300096.db2.gz UJXUQKVHZHCAAI-UHFFFAOYSA-N 1 0 369.465 2.371 50 0 FEAARO CC[C@@H]1CN(C(=O)c2cc(COc3cccc(C(C)=O)c3)[nH]n2)CC[NH2+]1 ZINC000067981962 221311543 /nfs/dbraw/zinc/31/15/43/221311543.db2.gz NNSFZYIJBCULMC-OAHLLOKOSA-N 1 0 356.426 2.015 50 0 FEAARO CCn1c(=O)n(C)nc1C1CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000067967745 221310767 /nfs/dbraw/zinc/31/07/67/221310767.db2.gz IHRYYDBURATOTG-AWEZNQCLSA-N 1 0 356.470 2.305 50 0 FEAARO COCCN1CCC[C@](O)(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)C1=O ZINC000067974186 221311037 /nfs/dbraw/zinc/31/10/37/221311037.db2.gz QPMKCDIHNJUIIY-KRWDZBQOSA-N 1 0 374.403 2.137 50 0 FEAARO O=C(C[N@H+]1CCCC[C@@H]1CCO)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000069249620 221322649 /nfs/dbraw/zinc/32/26/49/221322649.db2.gz SPLMCFBDIXPGGL-LJQANCHMSA-N 1 0 373.497 2.101 50 0 FEAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CN1CC[NH+](C)CC1 ZINC000071762724 221369919 /nfs/dbraw/zinc/36/99/19/221369919.db2.gz LPHXCZVLFPVJQQ-UHFFFAOYSA-N 1 0 369.513 2.406 50 0 FEAARO Cc1cc(C)n(C[C@@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n1 ZINC000071768002 221373117 /nfs/dbraw/zinc/37/31/17/221373117.db2.gz CWHBHVCJGAIRAA-CQSZACIVSA-N 1 0 363.469 2.498 50 0 FEAARO O=C(NCc1ccoc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071775975 221374534 /nfs/dbraw/zinc/37/45/34/221374534.db2.gz CNPJESNVIZNVPT-KRWDZBQOSA-N 1 0 359.470 2.009 50 0 FEAARO O=C(NCc1ccoc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071775974 221375184 /nfs/dbraw/zinc/37/51/84/221375184.db2.gz CNPJESNVIZNVPT-QGZVFWFLSA-N 1 0 359.470 2.009 50 0 FEAARO C[NH2+]CCN(C)C(=O)C[C@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071776403 221375373 /nfs/dbraw/zinc/37/53/73/221375373.db2.gz SHOJXTXBMLTQEL-JOCHJYFZSA-N 1 0 365.477 2.211 50 0 FEAARO CN1CC2(CCN(C(=O)c3ccc(C[C@H]4CCC[NH2+]C4)cc3)CC2)OC1=O ZINC000072137129 221417215 /nfs/dbraw/zinc/41/72/15/221417215.db2.gz DWNLDDPEJMZUQO-QGZVFWFLSA-N 1 0 371.481 2.286 50 0 FEAARO C[C@@H](Nc1nc(-c2ccco2)nc2c1CC[NH2+]CC2)c1nnc(N)s1 ZINC000072406984 221498275 /nfs/dbraw/zinc/49/82/75/221498275.db2.gz JSFFKIVFTNUZRQ-SECBINFHSA-N 1 0 357.443 2.032 50 0 FEAARO COc1cccc(C(=O)N2CCC[C@H](c3ccncn3)C2)c1OCCC[NH3+] ZINC000299779982 533398440 /nfs/dbraw/zinc/39/84/40/533398440.db2.gz SJVZQNMYOJDZIM-HNNXBMFYSA-N 1 0 370.453 2.233 50 0 FEAARO Cc1nc2cc(C(=O)NCc3cc4n(n3)CC[N@@H+](CC(C)C)C4)ccc2[nH]1 ZINC000082098100 542682987 /nfs/dbraw/zinc/68/29/87/542682987.db2.gz GEQSXYRPIHADCX-UHFFFAOYSA-N 1 0 366.469 2.469 50 0 FEAARO COc1ccc2cc(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)n(C)c2c1 ZINC000082127866 542685204 /nfs/dbraw/zinc/68/52/04/542685204.db2.gz YZQLQEBSXIDEIV-UHFFFAOYSA-N 1 0 371.481 2.371 50 0 FEAARO O=C1N(Cc2noc(-c3ccco3)n2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082093096 132194311 /nfs/dbraw/zinc/19/43/11/132194311.db2.gz LQJNZIVSNHCEQD-UHFFFAOYSA-N 1 0 365.393 2.411 50 0 FEAARO O=C(CN1c2ccccc2NC2(CC[NH2+]CC2)C1=O)NC1CCCCCC1 ZINC000082134310 132196652 /nfs/dbraw/zinc/19/66/52/132196652.db2.gz HIDZHFVTGKZQQY-UHFFFAOYSA-N 1 0 370.497 2.406 50 0 FEAARO Cc1ccc([C@H](C[NH2+]C2CCN(c3ncccn3)CC2)N2CCOCC2)o1 ZINC000095513048 132213177 /nfs/dbraw/zinc/21/31/77/132213177.db2.gz IHLHQFFTHLSULV-SFHVURJKSA-N 1 0 371.485 2.010 50 0 FEAARO Cc1cc(N2CCN(C(=O)CN3CCc4ccccc4C3)CC2)cc(C)[nH+]1 ZINC000223438655 132279328 /nfs/dbraw/zinc/27/93/28/132279328.db2.gz RSTJFAWHLMISOS-UHFFFAOYSA-N 1 0 364.493 2.405 50 0 FEAARO Cc1cnc(C)c(N2CCN(C(=O)CC[NH+]3CCCCCCC3)CC2)n1 ZINC000244633197 132290027 /nfs/dbraw/zinc/29/00/27/132290027.db2.gz FYWFZCOGVALUGH-UHFFFAOYSA-N 1 0 359.518 2.398 50 0 FEAARO Cn1ccnc(N2CCC[C@@H]([NH2+]C3CC(C)(c4ccccc4)C3)C2)c1=O ZINC000284759551 132304180 /nfs/dbraw/zinc/30/41/80/132304180.db2.gz OQCWNIFOXLYPKE-MPQSDHOMSA-N 1 0 352.482 2.459 50 0 FEAARO Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CC[N@H+]3CC(C)C)on1 ZINC000091365228 542805584 /nfs/dbraw/zinc/80/55/84/542805584.db2.gz WJHUZPHKEAMYTD-UHFFFAOYSA-N 1 0 357.458 2.352 50 0 FEAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCN(CCOC)C2=O ZINC000091350685 542805724 /nfs/dbraw/zinc/80/57/24/542805724.db2.gz UOFWMCMMRSATPU-SFHVURJKSA-N 1 0 368.909 2.097 50 0 FEAARO COCC[N@H+](C)C[C@@H]1CN(Cc2c(Cl)cncc2Cl)C[C@@H]1CO ZINC000091435037 542807647 /nfs/dbraw/zinc/80/76/47/542807647.db2.gz IGQWHEWVZGYGAQ-CHWSQXEVSA-N 1 0 362.301 2.007 50 0 FEAARO O=C(Cc1ccc(Cl)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091321293 542804859 /nfs/dbraw/zinc/80/48/59/542804859.db2.gz VOFJJXLEEYHXRD-IAGOWNOFSA-N 1 0 350.890 2.435 50 0 FEAARO CC(C)([NH3+])C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000091468496 542809392 /nfs/dbraw/zinc/80/93/92/542809392.db2.gz OUBUNJHFHWCKGM-NRFANRHFSA-N 1 0 357.498 2.198 50 0 FEAARO c1ncn(Cc2nnc(C3CC[NH+](Cc4ccccn4)CC3)n2C2CC2)n1 ZINC000091563219 542812323 /nfs/dbraw/zinc/81/23/23/542812323.db2.gz DMVICEJADIMMRP-UHFFFAOYSA-N 1 0 364.457 2.027 50 0 FEAARO CCN1CC[C@@]2(CN(C(=O)NCC3CCCCC3)CC[N@@H+]2C)CCC1=O ZINC000091574575 542813311 /nfs/dbraw/zinc/81/33/11/542813311.db2.gz HZTSJCJZOWBTQM-HXUWFJFHSA-N 1 0 364.534 2.295 50 0 FEAARO COc1ccc([C@@H]2C[N@@H+](C3CSCCSC3)C[C@H]2NC(C)=O)cc1 ZINC000091563241 542813657 /nfs/dbraw/zinc/81/36/57/542813657.db2.gz GJLVHCLPHPCOTB-ZWKOTPCHSA-N 1 0 366.552 2.448 50 0 FEAARO C[N@@H+]1CC[C@H]2C[NH+](C3CCN(CCc4ccccc4)CC3)C[C@@]2(C(=O)[O-])C1 ZINC000091655977 542817900 /nfs/dbraw/zinc/81/79/00/542817900.db2.gz CTLXGVCGNJHVES-UGKGYDQZSA-N 1 0 371.525 2.032 50 0 FEAARO CC(C)Oc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1CO ZINC000091677737 542819963 /nfs/dbraw/zinc/81/99/63/542819963.db2.gz YNSLKJDCNQTNAA-WOJBJXKFSA-N 1 0 362.514 2.102 50 0 FEAARO CCn1c(Cn2cncn2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000091725022 542822045 /nfs/dbraw/zinc/82/20/45/542822045.db2.gz OIOZQLJDSAJTHI-UHFFFAOYSA-N 1 0 369.448 2.457 50 0 FEAARO CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)[nH]1 ZINC000091656393 542818169 /nfs/dbraw/zinc/81/81/69/542818169.db2.gz FSCYOTSIRXAQOZ-UHFFFAOYSA-N 1 0 374.529 2.374 50 0 FEAARO CN1CC2(CCC1=O)CCN(C(=O)C[N@@H+]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000091645470 542818182 /nfs/dbraw/zinc/81/81/82/542818182.db2.gz WYPALMOGAOLMDC-LJQANCHMSA-N 1 0 369.509 2.337 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)Cc3ccc(N(C)C)cc3)C[C@@H]2[NH3+])c1 ZINC000091829540 542827471 /nfs/dbraw/zinc/82/74/71/542827471.db2.gz LVDGLPMCSHMWCG-UXHICEINSA-N 1 0 353.466 2.257 50 0 FEAARO C[C@H](CCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)[NH+](C)C ZINC000091818013 542826777 /nfs/dbraw/zinc/82/67/77/542826777.db2.gz VDMDIRWITFQSTB-BUBBNXEVSA-N 1 0 372.513 2.308 50 0 FEAARO CCN1CC[C@@]2(CN(C(=O)Nc3cccc(OC)c3)CC[N@@H+]2C)CCC1=O ZINC000091893417 542831599 /nfs/dbraw/zinc/83/15/99/542831599.db2.gz LDGQQPPAFCBGNH-HXUWFJFHSA-N 1 0 374.485 2.246 50 0 FEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000092028242 542838266 /nfs/dbraw/zinc/83/82/66/542838266.db2.gz GFXULSGMZPBYIE-UHFFFAOYSA-N 1 0 366.469 2.112 50 0 FEAARO Cc1ccc([C@H]2CN(C(=O)c3cc(C)nc4c3c(C)nn4C)C[C@@H]2[NH3+])o1 ZINC000092028481 542838667 /nfs/dbraw/zinc/83/86/67/542838667.db2.gz IZLOYVWNDANOJW-GJZGRUSLSA-N 1 0 353.426 2.053 50 0 FEAARO CN1CCC[N@H+](C[C@@H]2CN(Cc3ccc(Cl)cc3F)C[C@@H]2CO)CC1 ZINC000092038540 542840268 /nfs/dbraw/zinc/84/02/68/542840268.db2.gz OQWSVNQAUAJTGE-IAGOWNOFSA-N 1 0 369.912 2.157 50 0 FEAARO C[C@H](C(=O)NCC[NH+]1CCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684612 136117886 /nfs/dbraw/zinc/11/78/86/136117886.db2.gz KWSWKZZLCQKBKX-MRXNPFEDSA-N 1 0 364.921 2.063 50 0 FEAARO Cc1nc2c(cnn2C)c(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)n1 ZINC000095368324 542961418 /nfs/dbraw/zinc/96/14/18/542961418.db2.gz MFTYTCYBCXUPSR-UHFFFAOYSA-N 1 0 368.489 2.342 50 0 FEAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(C4CC4)on3)cn2)CC1 ZINC000057676903 136130035 /nfs/dbraw/zinc/13/00/35/136130035.db2.gz DBKUXBFJJHGNEV-UHFFFAOYSA-N 1 0 355.442 2.019 50 0 FEAARO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CN3C)[NH+](C)C)cc1 ZINC000058213183 136131005 /nfs/dbraw/zinc/13/10/05/136131005.db2.gz AMXBXZAJFMWKJG-IBGZPJMESA-N 1 0 366.465 2.416 50 0 FEAARO Cc1ccc(CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)c(C)c1 ZINC000058246195 136131252 /nfs/dbraw/zinc/13/12/52/136131252.db2.gz DXCPNMOENHJMPJ-UHFFFAOYSA-N 1 0 367.497 2.450 50 0 FEAARO c1cn(C[C@@H]2CCCN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)C2)cn1 ZINC000072130645 136142078 /nfs/dbraw/zinc/14/20/78/136142078.db2.gz ZIXUNRHLHPQASY-HNNXBMFYSA-N 1 0 361.453 2.255 50 0 FEAARO Cn1ncc2c1nc(C1CCCC1)nc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000072170177 136143667 /nfs/dbraw/zinc/14/36/67/136143667.db2.gz KUZMDQBAUZEVCV-INIZCTEOSA-N 1 0 370.501 2.322 50 0 FEAARO Cc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC000072434075 136147179 /nfs/dbraw/zinc/14/71/79/136147179.db2.gz WZPFMNQNNKNBGL-UHFFFAOYSA-N 1 0 370.457 2.164 50 0 FEAARO Cc1ccc2c(c1)[C@]1([NH2+][C@@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000095346213 542957250 /nfs/dbraw/zinc/95/72/50/542957250.db2.gz YYDFFHKIEHTPIA-VCAMNPENSA-N 1 0 369.465 2.170 50 0 FEAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(O)(c2cccnc2)CC1 ZINC000095353206 542957316 /nfs/dbraw/zinc/95/73/16/542957316.db2.gz IWRXPUFMEOUVIF-QGZVFWFLSA-N 1 0 369.465 2.397 50 0 FEAARO COc1ccc([C@@H]2CN(S(=O)(=O)C(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095359417 542959342 /nfs/dbraw/zinc/95/93/42/542959342.db2.gz LWMYVCSIGWCFSM-IPMKNSEASA-N 1 0 364.511 2.295 50 0 FEAARO CC[N@H+](C)CC(=O)N1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095362579 542960206 /nfs/dbraw/zinc/96/02/06/542960206.db2.gz VPAVHOTYUKYWGN-JXMROGBWSA-N 1 0 369.509 2.493 50 0 FEAARO CCc1nc(C)c(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)c(=O)[nH]1 ZINC000095383804 542965811 /nfs/dbraw/zinc/96/58/11/542965811.db2.gz CQAMRCBOXYHZPA-IAGOWNOFSA-N 1 0 372.513 2.072 50 0 FEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)c2ccc(=O)[nH]c2)C3)cc1 ZINC000095390711 542968440 /nfs/dbraw/zinc/96/84/40/542968440.db2.gz PQXQJFOEGPLCAD-FUHWJXTLSA-N 1 0 367.449 2.120 50 0 FEAARO O=C(COc1ccc2c(c1)CCC2)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000095426537 542968982 /nfs/dbraw/zinc/96/89/82/542968982.db2.gz GLXSFGTXXUVDIC-RTWAWAEBSA-N 1 0 372.509 2.438 50 0 FEAARO CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000095446735 542969928 /nfs/dbraw/zinc/96/99/28/542969928.db2.gz WOIZCILJJSARIQ-WMZOPIPTSA-N 1 0 358.511 2.375 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@H]2NC(C)=O)cc1 ZINC000095507783 542976411 /nfs/dbraw/zinc/97/64/11/542976411.db2.gz PRCSUSUBKBBSLC-VQTJNVASSA-N 1 0 373.497 2.002 50 0 FEAARO O=S1(=O)CC[C@H](C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)C1 ZINC000095507553 542976470 /nfs/dbraw/zinc/97/64/70/542976470.db2.gz OYXXCZNBYZJVPD-CYBMUJFWSA-N 1 0 365.524 2.289 50 0 FEAARO COc1cccc(Oc2ccc(NC(=O)N3CCO[C@H](CC[NH3+])C3)cn2)c1 ZINC000299780558 533679145 /nfs/dbraw/zinc/67/91/45/533679145.db2.gz QNLLELQLYPVFMU-QGZVFWFLSA-N 1 0 372.425 2.464 50 0 FEAARO COc1cccc(Oc2ccc(NC(=O)N3CCO[C@@H](CC[NH3+])C3)cn2)c1 ZINC000299780549 533680053 /nfs/dbraw/zinc/68/00/53/533680053.db2.gz QNLLELQLYPVFMU-KRWDZBQOSA-N 1 0 372.425 2.464 50 0 FEAARO Cc1ncsc1-c1nc2ccccc2n1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125544676 543888062 /nfs/dbraw/zinc/88/80/62/543888062.db2.gz OQLVZNVVGTZOPM-LBPRGKRZSA-N 1 0 355.467 2.289 50 0 FEAARO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000126253501 543925983 /nfs/dbraw/zinc/92/59/83/543925983.db2.gz ZFBBRBQUBYFJNO-LPHOPBHVSA-N 1 0 367.497 2.451 50 0 FEAARO CCCSc1ncc(CN2C[C@H](O)[C@@H]([NH+]3CCCCCC3)C2)cn1 ZINC000072481404 221555460 /nfs/dbraw/zinc/55/54/60/221555460.db2.gz NCMOUTZVRZSHNZ-IRXDYDNUSA-N 1 0 350.532 2.400 50 0 FEAARO O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000091439936 221758902 /nfs/dbraw/zinc/75/89/02/221758902.db2.gz NYBMVZZRYLJKOU-QGZVFWFLSA-N 1 0 370.453 2.109 50 0 FEAARO Cc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 ZINC000095483516 221921450 /nfs/dbraw/zinc/92/14/50/221921450.db2.gz XVWGFAWMLKPGRR-UHFFFAOYSA-N 1 0 354.479 2.382 50 0 FEAARO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000096139953 222044973 /nfs/dbraw/zinc/04/49/73/222044973.db2.gz KHOUBCFHZVQGPW-GFCCVEGCSA-N 1 0 362.861 2.057 50 0 FEAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@@H]1COc2ccccc2O1 ZINC000096151909 222053096 /nfs/dbraw/zinc/05/30/96/222053096.db2.gz AFARABOBVRRPDV-SFHVURJKSA-N 1 0 362.495 2.303 50 0 FEAARO C[NH+](C)[C@H]1CN(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C[C@@H]1O ZINC000096162741 222062085 /nfs/dbraw/zinc/06/20/85/222062085.db2.gz NLJGSPKZWOMUGV-ROUUACIJSA-N 1 0 365.437 2.369 50 0 FEAARO CNc1ncc(C(=O)NC[C@@H]2CCC3(CC[NH+](CC=C(C)C)CC3)O2)cn1 ZINC000097179365 222166942 /nfs/dbraw/zinc/16/69/42/222166942.db2.gz GBRVFTHMASNDBS-KRWDZBQOSA-N 1 0 373.501 2.228 50 0 FEAARO COc1ccc2c(c1)c(C(=O)NCC[N@@H+]1CCCC[C@@H]1CO)c(C)n2C ZINC000097570856 222192451 /nfs/dbraw/zinc/19/24/51/222192451.db2.gz PUXILPJFDAPQEZ-OAHLLOKOSA-N 1 0 359.470 2.072 50 0 FEAARO COc1cc(CN2CCN(Cc3cccnc3)C[C@H]2CCO)cc(OC)c1 ZINC000104481204 222358441 /nfs/dbraw/zinc/35/84/41/222358441.db2.gz CGISDTKFILCPMZ-LJQANCHMSA-N 1 0 371.481 2.168 50 0 FEAARO COc1ccccc1N1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1=O ZINC000106161295 222383733 /nfs/dbraw/zinc/38/37/33/222383733.db2.gz HAJDQSOMGWCZLP-SJORKVTESA-N 1 0 373.497 2.285 50 0 FEAARO Cn1ccc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC000011970468 263369566 /nfs/dbraw/zinc/36/95/66/263369566.db2.gz QDDWDPRAMSGFRR-GOSISDBHSA-N 1 0 368.481 2.364 50 0 FEAARO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000190833045 328235175 /nfs/dbraw/zinc/23/51/75/328235175.db2.gz DFAPAGRZSZFKGY-INIZCTEOSA-N 1 0 365.499 2.040 50 0 FEAARO CNc1cc(N2CCC[C@H]2CNC(=O)N2Cc3ccccc3C2)ncn1 ZINC000173429593 327256323 /nfs/dbraw/zinc/25/63/23/327256323.db2.gz IGQVZRRSAUGMRW-INIZCTEOSA-N 1 0 352.442 2.213 50 0 FEAARO C[C@H](CCC(=O)NC1(c2cc(F)cc(F)c2)CC1)[NH+]1CCN(C)CC1 ZINC000299770617 533791704 /nfs/dbraw/zinc/79/17/04/533791704.db2.gz XBABDUMJUPLPRT-CQSZACIVSA-N 1 0 351.441 2.486 50 0 FEAARO COC(=O)c1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)ccc1Cl ZINC000299794299 533879058 /nfs/dbraw/zinc/87/90/58/533879058.db2.gz KBZDBUQHCWEUFJ-GJZGRUSLSA-N 1 0 369.849 2.356 50 0 FEAARO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)c1OC ZINC000299799109 533953403 /nfs/dbraw/zinc/95/34/03/533953403.db2.gz PPURHJFYGMRHRU-LSDHHAIUSA-N 1 0 364.833 2.295 50 0 FEAARO CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCCN(c3ccc(F)cc3)CC2)C1 ZINC000091656615 519685618 /nfs/dbraw/zinc/68/56/18/519685618.db2.gz RXUINWFMRIXMIH-LJQANCHMSA-N 1 0 363.477 2.364 50 0 FEAARO CCCN1CCC[C@]2(CC[N@H+](CC(=O)NCc3ccccc3OC)C2)C1=O ZINC000091476847 519855008 /nfs/dbraw/zinc/85/50/08/519855008.db2.gz ZDVHJMKITTVOPE-OAQYLSRUSA-N 1 0 373.497 2.036 50 0 FEAARO Cc1cccc(-n2cc(CNC(=O)CC[C@H](C)[NH+]3CCN(C)CC3)cn2)c1 ZINC000299771975 534567156 /nfs/dbraw/zinc/56/71/56/534567156.db2.gz YNZFMQQTHHGSAN-SFHVURJKSA-N 1 0 369.513 2.213 50 0 FEAARO C[NH+](C)CCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000091306113 521782713 /nfs/dbraw/zinc/78/27/13/521782713.db2.gz FXASBSAAEFWEJQ-CQSZACIVSA-N 1 0 371.403 2.122 50 0 FEAARO COc1cc2c(cc1OC)CN(C(=O)C1([NH3+])Cc3ccccc3C1)CC2 ZINC000150701796 523025243 /nfs/dbraw/zinc/02/52/43/523025243.db2.gz VYRSRERFRQRFMX-UHFFFAOYSA-N 1 0 352.434 2.085 50 0 FEAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2[nH]cnc2C)CC1 ZINC000082108919 523188974 /nfs/dbraw/zinc/18/89/74/523188974.db2.gz PZGKUTXIAGDMAQ-UHFFFAOYSA-N 1 0 357.506 2.305 50 0 FEAARO C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)C1 ZINC000091535307 523838357 /nfs/dbraw/zinc/83/83/57/523838357.db2.gz DDUIYLKEYCLCGL-SFHVURJKSA-N 1 0 367.497 2.374 50 0 FEAARO COc1ccc(CN2CC[N@H+](CCCn3cccn3)C[C@@H]2CCO)cc1C ZINC000020208292 524031979 /nfs/dbraw/zinc/03/19/79/524031979.db2.gz HXQAECGRMYTRSO-FQEVSTJZSA-N 1 0 372.513 2.159 50 0 FEAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)COc1ccc(Br)cc1 ZINC000020328336 524346682 /nfs/dbraw/zinc/34/66/82/524346682.db2.gz FIPQYVPSHGCNDX-CYBMUJFWSA-N 1 0 371.275 2.007 50 0 FEAARO C[C@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)C[C@H](C)[NH2+]1 ZINC000154205511 524528464 /nfs/dbraw/zinc/52/84/64/524528464.db2.gz YRZZUIFAFIAWCM-KBPBESRZSA-N 1 0 359.857 2.372 50 0 FEAARO COc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020726932 524683773 /nfs/dbraw/zinc/68/37/73/524683773.db2.gz YSQWVHVGQQWDNT-LJQANCHMSA-N 1 0 356.466 2.253 50 0 FEAARO COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000246278483 524881541 /nfs/dbraw/zinc/88/15/41/524881541.db2.gz NISWIWGUZDURQW-DYVFJYSZSA-N 1 0 350.459 2.116 50 0 FEAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000246278507 524901146 /nfs/dbraw/zinc/90/11/46/524901146.db2.gz NISWIWGUZDURQW-GUYCJALGSA-N 1 0 350.459 2.116 50 0 FEAARO Cc1ccccc1N1CC[NH+](CCCN2C(=O)[C@H]3CCCCN3C2=O)CC1 ZINC000000633302 525222972 /nfs/dbraw/zinc/22/29/72/525222972.db2.gz UAFQQJVDGPMBPO-LJQANCHMSA-N 1 0 370.497 2.324 50 0 FEAARO COc1cccc(CC(=O)N2CCC(C[N@@H+]3CCN(C)C[C@H]3C)CC2)c1 ZINC000085468247 525866372 /nfs/dbraw/zinc/86/63/72/525866372.db2.gz CQJLYNWXQLDPKK-QGZVFWFLSA-N 1 0 359.514 2.112 50 0 FEAARO Cc1cc(=O)[nH]cc1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000079104578 526122275 /nfs/dbraw/zinc/12/22/75/526122275.db2.gz ZYFLOXHOJHNVAO-INIZCTEOSA-N 1 0 369.465 2.313 50 0 FEAARO O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085880110 526646297 /nfs/dbraw/zinc/64/62/97/526646297.db2.gz ZLTJJMXOFVRLPO-DLBZAZTESA-N 1 0 369.469 2.445 50 0 FEAARO O=C(C[C@@H](c1ccco1)c1ccccc1)NCc1cc2n(n1)CC[NH2+]C2 ZINC000082097471 527098606 /nfs/dbraw/zinc/09/86/06/527098606.db2.gz KOQBPADIWZICTR-GOSISDBHSA-N 1 0 350.422 2.418 50 0 FEAARO [NH3+]C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 ZINC000157655171 527143841 /nfs/dbraw/zinc/14/38/41/527143841.db2.gz BXPNWVQTVVZBSW-UHFFFAOYSA-N 1 0 367.222 2.337 50 0 FEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000091445163 527389917 /nfs/dbraw/zinc/38/99/17/527389917.db2.gz BDZCGYDNWOLHOL-LJQANCHMSA-N 1 0 369.509 2.198 50 0 FEAARO CCOc1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1OCc1ccncc1 ZINC000299738394 528209304 /nfs/dbraw/zinc/20/93/04/528209304.db2.gz ADWWYEGSOBLSOB-KRWDZBQOSA-N 1 0 355.438 2.493 50 0 FEAARO O=C(c1ccccc1OC(F)F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000171823378 546226556 /nfs/dbraw/zinc/22/65/56/546226556.db2.gz BLUYPHIMXUVVGI-UHFFFAOYSA-N 1 0 354.397 2.472 50 0 FEAARO C[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1nnc2ccccn21 ZINC000172528897 546256152 /nfs/dbraw/zinc/25/61/52/546256152.db2.gz NZZSDJMKMAKPQY-OAHLLOKOSA-N 1 0 356.474 2.450 50 0 FEAARO O[C@H](CNc1ccc2nnc(-c3ccccc3F)n2n1)C[NH+]1CCCCC1 ZINC000174683838 546302141 /nfs/dbraw/zinc/30/21/41/546302141.db2.gz YOVCHDSAISZZOP-CQSZACIVSA-N 1 0 370.432 2.189 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000178322969 546774480 /nfs/dbraw/zinc/77/44/80/546774480.db2.gz BCVQVZWGPOQYOB-KRWDZBQOSA-N 1 0 371.403 2.360 50 0 FEAARO O=C(NC1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1)C1CCC1 ZINC000188767628 548287439 /nfs/dbraw/zinc/28/74/39/548287439.db2.gz GQMDXXCKPOAARW-IBGZPJMESA-N 1 0 370.497 2.134 50 0 FEAARO C[NH+]1CCN(c2cc(C(=O)N3CC4(CCCC4)OC(C)(C)C3)ccn2)CC1 ZINC000189178584 548298139 /nfs/dbraw/zinc/29/81/39/548298139.db2.gz UEZUCZPORSIQEZ-UHFFFAOYSA-N 1 0 372.513 2.397 50 0 FEAARO COc1ccc(-c2ncc(CN3CCOC[C@@H](C[NH+](C)C)C3)cn2)cc1 ZINC000215079947 548667548 /nfs/dbraw/zinc/66/75/48/548667548.db2.gz LMIHQJFJTNSRMA-KRWDZBQOSA-N 1 0 356.470 2.162 50 0 FEAARO Cc1nn(CCO)cc1C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000215109535 548667929 /nfs/dbraw/zinc/66/79/29/548667929.db2.gz COIZOKDDLGUVLF-MRXNPFEDSA-N 1 0 353.470 2.450 50 0 FEAARO Cc1ccc(SCCNC(=O)c2cn(C[C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000215358337 548671304 /nfs/dbraw/zinc/67/13/04/548671304.db2.gz CWYKNZYXCOIZST-HNNXBMFYSA-N 1 0 359.499 2.108 50 0 FEAARO COc1cc(OC)c(CN2CCC[C@@](CO)(C[NH+](C)C)C2)cc1Cl ZINC000216095604 548675929 /nfs/dbraw/zinc/67/59/29/548675929.db2.gz VGLZYTYYWNGSBU-GOSISDBHSA-N 1 0 356.894 2.493 50 0 FEAARO C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cc3sccc3[nH]1)C2 ZINC000222655196 548710841 /nfs/dbraw/zinc/71/08/41/548710841.db2.gz NUOBCZDSAMOZJV-MRXNPFEDSA-N 1 0 373.482 2.067 50 0 FEAARO O=C(CCc1cc(Cl)no1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1 ZINC000223478753 548720887 /nfs/dbraw/zinc/72/08/87/548720887.db2.gz RWRDWNKRZMHCBI-VJUNAUMWSA-N 1 0 353.850 2.019 50 0 FEAARO CN(CCCc1nccn1C)C(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000223777490 548724812 /nfs/dbraw/zinc/72/48/12/548724812.db2.gz JRDLFAZIOIXMKA-UHFFFAOYSA-N 1 0 354.498 2.475 50 0 FEAARO O=C([C@@H]1CCc2nc[nH]c2C1)N1CCN(c2nsc3ccccc32)CC1 ZINC000225513052 548736437 /nfs/dbraw/zinc/73/64/37/548736437.db2.gz KUBOXIHYJNPQOB-CYBMUJFWSA-N 1 0 367.478 2.473 50 0 FEAARO CN1CC[N@H+](CCCNC(=O)Nc2nncs2)[C@@H](c2ccccc2)C1 ZINC000229671521 548756369 /nfs/dbraw/zinc/75/63/69/548756369.db2.gz RPQXTNKDQPFTCX-OAHLLOKOSA-N 1 0 360.487 2.038 50 0 FEAARO C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)([NH+](C)C)C1 ZINC000230220565 548758848 /nfs/dbraw/zinc/75/88/48/548758848.db2.gz UZZLSRPCZVEGNI-GQIGUUNPSA-N 1 0 361.486 2.255 50 0 FEAARO Cc1nc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cs1 ZINC000230183783 548759418 /nfs/dbraw/zinc/75/94/18/548759418.db2.gz KQZFMYNEGKTQSE-LJQANCHMSA-N 1 0 362.543 2.360 50 0 FEAARO O=C(Cc1ccccc1Cl)N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O ZINC000240499944 548884909 /nfs/dbraw/zinc/88/49/09/548884909.db2.gz NPJRTGBVFUTBTG-QZTJIDSGSA-N 1 0 359.857 2.029 50 0 FEAARO COc1ccc2ccccc2c1CNCc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244602089 548890624 /nfs/dbraw/zinc/89/06/24/548890624.db2.gz DXJDVOYABONRKP-GASCZTMLSA-N 1 0 351.454 2.471 50 0 FEAARO Cc1ccc(C(=O)NCCC(=O)NC[C@@H]2Cc3ccccc3C[N@H+]2C)cc1 ZINC000244866511 548897305 /nfs/dbraw/zinc/89/73/05/548897305.db2.gz VXLQPGXODNWWNT-FQEVSTJZSA-N 1 0 365.477 2.288 50 0 FEAARO Cc1cccc2[nH]c(C3CCN(CC(=O)Nc4ccn(C)n4)CC3)nc21 ZINC000244884341 548898275 /nfs/dbraw/zinc/89/82/75/548898275.db2.gz YKMNAUNOKNSUHZ-UHFFFAOYSA-N 1 0 352.442 2.423 50 0 FEAARO OCCOCC[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000247754493 549377664 /nfs/dbraw/zinc/37/76/64/549377664.db2.gz YHZWPIDUCAHAMG-UHFFFAOYSA-N 1 0 370.428 2.231 50 0 FEAARO COCCn1c(Cc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252482596 549667988 /nfs/dbraw/zinc/66/79/88/549667988.db2.gz DJYIWXVESJRUBS-KRWDZBQOSA-N 1 0 373.476 2.329 50 0 FEAARO O=C(Cc1ccccc1F)N1CCC(N2CC(F)(F)C[C@H]2CO)CC1 ZINC000257177439 549711594 /nfs/dbraw/zinc/71/15/94/549711594.db2.gz BCMHUIXDMZDNEG-HNNXBMFYSA-N 1 0 356.388 2.061 50 0 FEAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000257195781 549717086 /nfs/dbraw/zinc/71/70/86/549717086.db2.gz WWUUPECBMFALIZ-SFHVURJKSA-N 1 0 369.465 2.319 50 0 FEAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cccc(N)n3)cc2)C[C@H](C)O1 ZINC000272300199 550435630 /nfs/dbraw/zinc/43/56/30/550435630.db2.gz GYGFTMKQWBRKHA-GJZGRUSLSA-N 1 0 354.454 2.203 50 0 FEAARO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000284963777 551678503 /nfs/dbraw/zinc/67/85/03/551678503.db2.gz KINBRAVZVDASAQ-SOLBZPMBSA-N 1 0 372.469 2.434 50 0 FEAARO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](NC(C)=O)C2)[NH+](C)C)cc1 ZINC000333989338 554665169 /nfs/dbraw/zinc/66/51/69/554665169.db2.gz ATWFLUGWXMRRKM-RBUKOAKNSA-N 1 0 360.502 2.162 50 0 FEAARO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccnc(-c2ccccc2)c1N ZINC000375093193 557976965 /nfs/dbraw/zinc/97/69/65/557976965.db2.gz INVKIHVRQLNKTK-OAHLLOKOSA-N 1 0 368.481 2.248 50 0 FEAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426486424 559735517 /nfs/dbraw/zinc/73/55/17/559735517.db2.gz QGPVAPALBWASJC-KRWDZBQOSA-N 1 0 372.517 2.403 50 0 FEAARO C[C@@H]1c2cc(F)ccc2CCN1C(=O)NC(C)(C)CN1CC[NH+](C)CC1 ZINC000426488502 559735569 /nfs/dbraw/zinc/73/55/69/559735569.db2.gz ZHSMUHVIBOTVFX-OAHLLOKOSA-N 1 0 362.493 2.480 50 0 FEAARO O=C(NCCC[N@H+]1CCC[C@@H](CO)C1)N(Cc1cccc(O)c1)C1CC1 ZINC000426498636 559735902 /nfs/dbraw/zinc/73/59/02/559735902.db2.gz PVHXHYNOAQHSBY-QGZVFWFLSA-N 1 0 361.486 2.161 50 0 FEAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)NCCc2ccc(O)cc2)CC1 ZINC000426500305 559736088 /nfs/dbraw/zinc/73/60/88/559736088.db2.gz QNPSPKBIFLJNGX-IBGZPJMESA-N 1 0 374.529 2.136 50 0 FEAARO C[NH+](C)CCN(CCO)C(=O)c1cccc(-c2cc(O)c(F)c(F)c2)c1 ZINC000426519045 559736641 /nfs/dbraw/zinc/73/66/41/559736641.db2.gz YWPAKJJJWZXFQS-UHFFFAOYSA-N 1 0 364.392 2.334 50 0 FEAARO Cn1c(SCC(=O)NC2CCCCCC2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426544748 559737484 /nfs/dbraw/zinc/73/74/84/559737484.db2.gz LBPAVAWBVMJYTF-CYBMUJFWSA-N 1 0 351.520 2.213 50 0 FEAARO Cc1cccn2c(F)c(C(=O)NC3CC[NH+](C4CCOCC4)CC3)nc12 ZINC000426571733 559738088 /nfs/dbraw/zinc/73/80/88/559738088.db2.gz ZCRDFIUQTKCMML-UHFFFAOYSA-N 1 0 360.433 2.155 50 0 FEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCC1(COc2ccccc2)CC1 ZINC000426712610 559740884 /nfs/dbraw/zinc/74/08/84/559740884.db2.gz JFVFPWKYOOXUBR-QGZVFWFLSA-N 1 0 368.481 2.326 50 0 FEAARO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(C(=O)Nc3nccn3C)c2)C1 ZINC000067655019 571131686 /nfs/dbraw/zinc/13/16/86/571131686.db2.gz CYYQQICBRJYURT-GOSISDBHSA-N 1 0 355.486 2.589 50 0 FEAARO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2nccnc2n1 ZINC000423512140 571150726 /nfs/dbraw/zinc/15/07/26/571150726.db2.gz QQYTWRIHIFTMOF-PBHICJAKSA-N 1 0 351.385 2.039 50 0 FEAARO O=S(=O)(/C=C/c1ccccc1)NCC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000575617101 571170010 /nfs/dbraw/zinc/17/00/10/571170010.db2.gz YRAUXASTKRZOHD-FHLIRTJZSA-N 1 0 350.484 2.078 50 0 FEAARO CCC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2nc(-c3cccnc3)no2)C1 ZINC000426389538 571218787 /nfs/dbraw/zinc/21/87/87/571218787.db2.gz XZSXKJLSMNJHNJ-OAHLLOKOSA-N 1 0 358.446 2.147 50 0 FEAARO NC(=O)c1cncc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n1 ZINC000426389700 571218887 /nfs/dbraw/zinc/21/88/87/571218887.db2.gz OSIDANYNJBZHKL-HXUWFJFHSA-N 1 0 369.444 2.207 50 0 FEAARO CC[NH+]1CCN(C(C)(C)CNC(=O)N2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000584895784 571315371 /nfs/dbraw/zinc/31/53/71/571315371.db2.gz XUWMZEZNSFQCAS-IBGZPJMESA-N 1 0 374.529 2.265 50 0 FEAARO C[N@@H+]1CC[C@H](NC(=O)N(CCO)CCSc2ccc(Cl)cc2)C1 ZINC000584898677 571315882 /nfs/dbraw/zinc/31/58/82/571315882.db2.gz XEPGYHBYGHPXNF-AWEZNQCLSA-N 1 0 357.907 2.140 50 0 FEAARO NC(=O)CNC(=O)c1ccc([C@H]2CCC[N@@H+]2CCCC(F)(F)F)s1 ZINC000020255491 670029936 /nfs/dbraw/zinc/02/99/36/670029936.db2.gz BPERORDPHBITJQ-SNVBAGLBSA-N 1 0 363.405 2.443 50 0 FEAARO [NH3+]CC1CCN(c2cnn(Cc3nc4ccccc4s3)c(=O)c2)CC1 ZINC000020599443 670030529 /nfs/dbraw/zinc/03/05/29/670030529.db2.gz BPIQZCOTMFNEEM-UHFFFAOYSA-N 1 0 355.467 2.076 50 0 FEAARO Cc1cc(Cl)ccc1N1C(=S)N=NC1CCN1CC[NH+](C)CC1 ZINC000022942904 670045325 /nfs/dbraw/zinc/04/53/25/670045325.db2.gz OEPRZQLPZVBUEK-UHFFFAOYSA-N 1 0 351.907 2.308 50 0 FEAARO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCc1cccc(C(F)(F)F)c1 ZINC000628187512 676793974 /nfs/dbraw/zinc/79/39/74/676793974.db2.gz SCFIYTHLHUMXML-AWEZNQCLSA-N 1 0 350.406 2.262 50 0 FEAARO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)C1 ZINC000652384245 677485419 /nfs/dbraw/zinc/48/54/19/677485419.db2.gz UROWPNSDGLNQMS-BRWVUGGUSA-N 1 0 356.463 2.016 50 0 FEAARO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)c1 ZINC000663600739 678763198 /nfs/dbraw/zinc/76/31/98/678763198.db2.gz QCVYILAEMZVVPN-INIZCTEOSA-N 1 0 355.429 2.440 50 0 FEAARO COc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000004122535 539377732 /nfs/dbraw/zinc/37/77/32/539377732.db2.gz AMURMLKGKCAYSS-UHFFFAOYSA-N 1 0 355.438 2.465 50 0 FEAARO CN1C2=C(C(=O)N(CC[NH+]3CCCCC3)C2)[C@H](c2ccc(F)cc2)NC1=O ZINC000004239849 539379547 /nfs/dbraw/zinc/37/95/47/539379547.db2.gz TWQFHMCEYSFRAR-SFHVURJKSA-N 1 0 372.444 2.104 50 0 FEAARO COc1cc(C[NH2+]CCNC(=O)c2cccs2)cc(OC)c1OC ZINC000004498139 539386212 /nfs/dbraw/zinc/38/62/12/539386212.db2.gz SJPGVNZOOKEKJM-UHFFFAOYSA-N 1 0 350.440 2.294 50 0 FEAARO C[N@H+](C[C@H](O)c1ccc(F)cn1)C1CCN(CCc2ccccn2)CC1 ZINC000328600339 529962071 /nfs/dbraw/zinc/96/20/71/529962071.db2.gz XCUSUEPGMURPJJ-FQEVSTJZSA-N 1 0 358.461 2.288 50 0 FEAARO C[NH+](C)CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000004957875 539397304 /nfs/dbraw/zinc/39/73/04/539397304.db2.gz UPMWWHREYIBNTL-UKTHLTGXSA-N 1 0 368.842 2.481 50 0 FEAARO Cc1cc(N2CCOCC2)nc2ccc(NC(=S)NCC[NH+](C)C)cc12 ZINC000004969808 539397793 /nfs/dbraw/zinc/39/77/93/539397793.db2.gz WQHFVRZISDFSDC-UHFFFAOYSA-N 1 0 373.526 2.228 50 0 FEAARO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000005351185 539409258 /nfs/dbraw/zinc/40/92/58/539409258.db2.gz VABQQEZQCVSIKW-YUWJWYLASA-N 1 0 369.465 2.252 50 0 FEAARO COc1ccc([C@H](CNC(=O)Cc2ccc3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000008346279 539483978 /nfs/dbraw/zinc/48/39/78/539483978.db2.gz MRBFGTIZFFDHDX-SFHVURJKSA-N 1 0 370.449 2.428 50 0 FEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000009620643 539506306 /nfs/dbraw/zinc/50/63/06/539506306.db2.gz XOHCFBUBPIYNOG-UHFFFAOYSA-N 1 0 365.481 2.277 50 0 FEAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)Cn2c(=O)oc3ccccc32)CC1 ZINC000009688540 539506337 /nfs/dbraw/zinc/50/63/37/539506337.db2.gz MXHQGPCINDTOFA-UHFFFAOYSA-N 1 0 369.421 2.311 50 0 FEAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000010544210 539518841 /nfs/dbraw/zinc/51/88/41/539518841.db2.gz FSHFUNHMMDENCO-OAHLLOKOSA-N 1 0 368.499 2.391 50 0 FEAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000011698824 539532700 /nfs/dbraw/zinc/53/27/00/539532700.db2.gz REJOKDMUKVEQLC-HNNXBMFYSA-N 1 0 372.469 2.079 50 0 FEAARO CN(C(=O)c1coc(COc2cccc(F)c2F)n1)[C@H]1CC[N@H+](C)C1 ZINC000011761641 539534891 /nfs/dbraw/zinc/53/48/91/539534891.db2.gz XUGOUPIZHKFIDA-NSHDSACASA-N 1 0 351.353 2.308 50 0 FEAARO Cc1ccoc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011754150 539535238 /nfs/dbraw/zinc/53/52/38/539535238.db2.gz WAJMLXILNQWIKU-HNNXBMFYSA-N 1 0 359.470 2.183 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCC(CCO)CC2)nc1 ZINC000011841079 539535829 /nfs/dbraw/zinc/53/58/29/539535829.db2.gz KDVZLMOLQYPSDK-IBGZPJMESA-N 1 0 374.529 2.285 50 0 FEAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000011874459 539537771 /nfs/dbraw/zinc/53/77/71/539537771.db2.gz OYGLUDOEHRZBBX-IBGZPJMESA-N 1 0 357.498 2.068 50 0 FEAARO Cn1nccc1C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)O1 ZINC000011996440 539539506 /nfs/dbraw/zinc/53/95/06/539539506.db2.gz ALBJHQJKARMXCT-MRXNPFEDSA-N 1 0 374.510 2.425 50 0 FEAARO COc1ccc(CCCN2C(=O)O[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]32)cc1 ZINC000011934531 539539790 /nfs/dbraw/zinc/53/97/90/539539790.db2.gz ODUFIXCZNVMNJP-RBUKOAKNSA-N 1 0 360.454 2.312 50 0 FEAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cc(F)ccc3F)C2)CC1 ZINC000012056096 539541565 /nfs/dbraw/zinc/54/15/65/539541565.db2.gz YWINVRSXVHZZMY-AWEZNQCLSA-N 1 0 351.441 2.387 50 0 FEAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc2c(c1)no[n+]2[O-] ZINC000012094519 539542476 /nfs/dbraw/zinc/54/24/76/539542476.db2.gz STWZWIQPAQFMBS-HNNXBMFYSA-N 1 0 358.442 2.378 50 0 FEAARO C[C@H](O)C[NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012194545 539549321 /nfs/dbraw/zinc/54/93/21/539549321.db2.gz OXJMABAUGXORKV-HNNXBMFYSA-N 1 0 352.438 2.077 50 0 FEAARO COc1ccc(F)c(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)c1 ZINC000012307493 539554538 /nfs/dbraw/zinc/55/45/38/539554538.db2.gz ICXBLPWXXOKFFW-NHCUHLMSSA-N 1 0 373.472 2.339 50 0 FEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cccs3)CC2)[nH+]1 ZINC000017012632 539638351 /nfs/dbraw/zinc/63/83/51/539638351.db2.gz DPVUXARTJQXRQF-UHFFFAOYSA-N 1 0 357.483 2.409 50 0 FEAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)N(C)C(=O)[C@@H]1CCCCN21 ZINC000021647331 539685944 /nfs/dbraw/zinc/68/59/44/539685944.db2.gz XMBVZRGBCUVSJY-SFHVURJKSA-N 1 0 372.513 2.484 50 0 FEAARO CC[NH+]1CCN(c2nc3c(cnn3C)c(NCc3ccccc3)n2)CC1 ZINC000021929076 539689976 /nfs/dbraw/zinc/68/99/76/539689976.db2.gz QXJASLHZXDZBCP-UHFFFAOYSA-N 1 0 351.458 2.117 50 0 FEAARO O=C(NCCc1ccccc1)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127399 539706840 /nfs/dbraw/zinc/70/68/40/539706840.db2.gz VHVWAWULUVNSCL-UHFFFAOYSA-N 1 0 357.498 2.116 50 0 FEAARO c1ccc(Cc2noc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000023130225 539706935 /nfs/dbraw/zinc/70/69/35/539706935.db2.gz IOMODRVRWTXPDH-GOSISDBHSA-N 1 0 356.470 2.205 50 0 FEAARO O=C(CNC(=O)c1cccc(Cl)c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338704 539905717 /nfs/dbraw/zinc/90/57/17/539905717.db2.gz KCYCTRJDPYUDIF-UHFFFAOYSA-N 1 0 371.868 2.244 50 0 FEAARO Cc1ccc(C(=O)NCC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000031338745 539905791 /nfs/dbraw/zinc/90/57/91/539905791.db2.gz UXZUQTZXHRTAGW-UHFFFAOYSA-N 1 0 365.477 2.208 50 0 FEAARO CCc1nnc(C(=O)Nc2cccc(C(=O)NCC[NH+]3CCCC3)c2)s1 ZINC000033022460 539963925 /nfs/dbraw/zinc/96/39/25/539963925.db2.gz DBWXYJWNSNNTOH-UHFFFAOYSA-N 1 0 373.482 2.178 50 0 FEAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COC(C)(C)C ZINC000036097140 539986788 /nfs/dbraw/zinc/98/67/88/539986788.db2.gz LQBZWMWILMEWTB-MRXNPFEDSA-N 1 0 355.475 2.328 50 0 FEAARO CCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CC[NH+](CC)CC2)c1=O ZINC000038545840 539999815 /nfs/dbraw/zinc/99/98/15/539999815.db2.gz JAWWRRPANZFKFE-LJQANCHMSA-N 1 0 356.470 2.004 50 0 FEAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000040073630 540004864 /nfs/dbraw/zinc/00/48/64/540004864.db2.gz YSEPSDVGHVWAJI-CABCVRRESA-N 1 0 351.516 2.362 50 0 FEAARO CN(C(=O)c1csc(NC(=O)c2cccc(F)c2)n1)[C@H]1CC[N@H+](C)C1 ZINC000040355212 540009423 /nfs/dbraw/zinc/00/94/23/540009423.db2.gz VVGINSBCUXZQFQ-ZDUSSCGKSA-N 1 0 362.430 2.311 50 0 FEAARO CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237238007 222905188 /nfs/dbraw/zinc/90/51/88/222905188.db2.gz CTNYBYWXSRLKHT-MCIONIFRSA-N 1 0 374.403 2.421 50 0 FEAARO Cc1csc([C@H]2CCCN(C(=O)c3nnn(C4CC[NH2+]CC4)c3C)C2)n1 ZINC000237948372 222911646 /nfs/dbraw/zinc/91/16/46/222911646.db2.gz WAPBCPZJKBNIRK-AWEZNQCLSA-N 1 0 374.514 2.296 50 0 FEAARO Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000047226904 540297551 /nfs/dbraw/zinc/29/75/51/540297551.db2.gz HKUUUIIRVAPQDG-IAGOWNOFSA-N 1 0 361.511 2.410 50 0 FEAARO Cn1cc(CCC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072129705 541785321 /nfs/dbraw/zinc/78/53/21/541785321.db2.gz CQQQPQYMTGMCIF-HXUWFJFHSA-N 1 0 352.482 2.054 50 0 FEAARO O=C(Cc1c(F)cccc1F)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072133393 541785383 /nfs/dbraw/zinc/78/53/83/541785383.db2.gz HASKJHXTRLNXPR-UXHICEINSA-N 1 0 372.415 2.361 50 0 FEAARO O=C([O-])[C@H]1CC2(C[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000072126602 541784621 /nfs/dbraw/zinc/78/46/21/541784621.db2.gz CZUMCIQVWQGRSU-MRXNPFEDSA-N 1 0 358.417 2.245 50 0 FEAARO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](CCC(=O)N(C)C)C2)CC1 ZINC000072140466 541786023 /nfs/dbraw/zinc/78/60/23/541786023.db2.gz NXESVHRKOZTYSX-IBGZPJMESA-N 1 0 358.530 2.060 50 0 FEAARO CC1CCN(S(=O)(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000072145650 541787951 /nfs/dbraw/zinc/78/79/51/541787951.db2.gz RSZSUNWNOKTPMO-LJQANCHMSA-N 1 0 365.543 2.260 50 0 FEAARO [NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)CCOc3ccccc3)CC2)[C@H]1O ZINC000072149538 541788684 /nfs/dbraw/zinc/78/86/84/541788684.db2.gz RDVIFXKOIXYZOY-RTWAWAEBSA-N 1 0 366.461 2.390 50 0 FEAARO C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1CC1(O)CC[NH+](C)CC1 ZINC000072147517 541789013 /nfs/dbraw/zinc/78/90/13/541789013.db2.gz SRZPBJVADGEXQT-OAHLLOKOSA-N 1 0 357.454 2.415 50 0 FEAARO Cc1cc2occ(CC(=O)N3CC[C@@](O)(C[NH+](C)C)C3)c2cc1Cl ZINC000072150723 541790166 /nfs/dbraw/zinc/79/01/66/541790166.db2.gz LHKKXMSMUISXRX-GOSISDBHSA-N 1 0 350.846 2.462 50 0 FEAARO CN(C(=O)C(=O)NC1CCCC1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072153948 541790521 /nfs/dbraw/zinc/79/05/21/541790521.db2.gz ZZNDROGQHFRMLX-IBGZPJMESA-N 1 0 369.509 2.135 50 0 FEAARO CN(Cc1cnn(C)c1)c1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000012578793 220009592 /nfs/dbraw/zinc/00/95/92/220009592.db2.gz VEYGMTWXOZRJFL-SFHVURJKSA-N 1 0 370.501 2.056 50 0 FEAARO COc1cc(Cl)ccc1C(=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072162325 541792674 /nfs/dbraw/zinc/79/26/74/541792674.db2.gz VIUMOCNNXIBLMX-HNNXBMFYSA-N 1 0 352.862 2.410 50 0 FEAARO O=C(c1ccon1)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072163370 541793053 /nfs/dbraw/zinc/79/30/53/541793053.db2.gz AARRDXCLNIDLFS-NIKGAXFTSA-N 1 0 367.405 2.106 50 0 FEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072166779 541794320 /nfs/dbraw/zinc/79/43/20/541794320.db2.gz CXMBCHWYZDGZQA-CQSZACIVSA-N 1 0 363.408 2.495 50 0 FEAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3=NNC(=O)CC3)C2)cc1 ZINC000012579707 220010037 /nfs/dbraw/zinc/01/00/37/220010037.db2.gz IOZXXDWXVRSHGB-SFHVURJKSA-N 1 0 370.497 2.232 50 0 FEAARO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2nnc(CN3CCCCC3)n2C)C1 ZINC000072425355 541811081 /nfs/dbraw/zinc/81/10/81/541811081.db2.gz KXAUYHBZCQDNTH-MRXNPFEDSA-N 1 0 357.506 2.212 50 0 FEAARO Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)no1 ZINC000072426090 541811176 /nfs/dbraw/zinc/81/11/76/541811176.db2.gz FMGBXUPDHHUTCM-CWFSZBLJSA-N 1 0 368.437 2.169 50 0 FEAARO Cc1cc([C@@H]2CCCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)no1 ZINC000072411406 541807079 /nfs/dbraw/zinc/80/70/79/541807079.db2.gz XMSLNVMQGBCIOB-SFHVURJKSA-N 1 0 357.458 2.359 50 0 FEAARO Cc1nc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CC[NH2+]C4)cc2)no1 ZINC000072419617 541807805 /nfs/dbraw/zinc/80/78/05/541807805.db2.gz MIMZKUBAQVMGQF-UHFFFAOYSA-N 1 0 361.409 2.257 50 0 FEAARO COCCCN(C(=O)c1ccc(-n2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000072419069 541808357 /nfs/dbraw/zinc/80/83/57/541808357.db2.gz CIJQJUYZYPFJTG-UHFFFAOYSA-N 1 0 356.470 2.445 50 0 FEAARO O=S(=O)(N[C@H]1CC[C@H]1[NH2+]C1CCCC1)c1c(Cl)nc2sccn21 ZINC000072429850 541811716 /nfs/dbraw/zinc/81/17/16/541811716.db2.gz RBNRMMAFVIXZDY-MNOVXSKESA-N 1 0 374.919 2.391 50 0 FEAARO Cc1nn(C)cc1CNc1nc(-c2ccco2)nc2c1CC[N@H+](C)CC2 ZINC000072428882 541812100 /nfs/dbraw/zinc/81/21/00/541812100.db2.gz MMRWCHAXGCCTIN-UHFFFAOYSA-N 1 0 352.442 2.421 50 0 FEAARO O=C(CCc1nc(Cl)n[nH]1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072431310 541812572 /nfs/dbraw/zinc/81/25/72/541812572.db2.gz ABVWKGHVHYIEHG-HNNXBMFYSA-N 1 0 373.888 2.139 50 0 FEAARO Nc1nc2c(c(NCc3ccon3)n1)CC[N@H+](Cc1cccs1)CC2 ZINC000072430697 541812735 /nfs/dbraw/zinc/81/27/35/541812735.db2.gz ZBPYGMSCCVQGRK-UHFFFAOYSA-N 1 0 356.455 2.321 50 0 FEAARO CSCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnn(C)c3C)CC[C@H]21 ZINC000072436306 541814260 /nfs/dbraw/zinc/81/42/60/541814260.db2.gz NRNIKVREQCAXHB-DOTOQJQBSA-N 1 0 350.532 2.295 50 0 FEAARO O[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000072467902 541817547 /nfs/dbraw/zinc/81/75/47/541817547.db2.gz MQSSVWNHUVMRAI-OAHLLOKOSA-N 1 0 354.397 2.429 50 0 FEAARO O=C(c1cn2cccnc2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072463512 541817693 /nfs/dbraw/zinc/81/76/93/541817693.db2.gz XESPRWGOFWMHJU-UHFFFAOYSA-N 1 0 365.481 2.456 50 0 FEAARO CCN1C[C@@]2(CCC[N@H+](Cc3cc(=O)n4ccc(C)cc4n3)C2)CCC1=O ZINC000072462961 541817810 /nfs/dbraw/zinc/81/78/10/541817810.db2.gz XIWRUAYFEDHELX-NRFANRHFSA-N 1 0 368.481 2.227 50 0 FEAARO CN(Cc1[nH]nc2c1CCCC2)c1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072456645 541816635 /nfs/dbraw/zinc/81/66/35/541816635.db2.gz BBYVVVDECAZPBV-UHFFFAOYSA-N 1 0 352.486 2.281 50 0 FEAARO CC(C)(O)CCc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000072480019 541821685 /nfs/dbraw/zinc/82/16/85/541821685.db2.gz YWDWNPGOLGNELW-UHFFFAOYSA-N 1 0 360.498 2.327 50 0 FEAARO Cc1cc(C)n(CC2(Cn3ccnc3-c3cc4n(n3)CC[NH2+]C4)CC2)n1 ZINC000072474754 541819538 /nfs/dbraw/zinc/81/95/38/541819538.db2.gz CETJUSBIBFCILO-UHFFFAOYSA-N 1 0 351.458 2.144 50 0 FEAARO Cc1ccc(=O)n(CC(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000072477830 541820752 /nfs/dbraw/zinc/82/07/52/541820752.db2.gz SLBIKZJGRFZUMA-UHFFFAOYSA-N 1 0 360.502 2.199 50 0 FEAARO O[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CCOCC1 ZINC000012596952 220012312 /nfs/dbraw/zinc/01/23/12/220012312.db2.gz JXOFBLCJKROSKF-WOJBJXKFSA-N 1 0 360.498 2.275 50 0 FEAARO COCC1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000012596507 220012583 /nfs/dbraw/zinc/01/25/83/220012583.db2.gz FQVAQCGSFHWEQM-HXUWFJFHSA-N 1 0 364.461 2.038 50 0 FEAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000012676720 220016414 /nfs/dbraw/zinc/01/64/14/220016414.db2.gz RGVNYLIKRRJNIM-SCLBCKFNSA-N 1 0 373.478 2.402 50 0 FEAARO CC[N@@H+]1CC[C@H](CN(C)C(=O)c2cn(C/C=C/c3ccccc3)nn2)C1 ZINC000012701789 220017834 /nfs/dbraw/zinc/01/78/34/220017834.db2.gz WZNNYDFVVCNPNG-RUJXFNLJSA-N 1 0 353.470 2.405 50 0 FEAARO C[NH+](C)Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000015140554 220148423 /nfs/dbraw/zinc/14/84/23/220148423.db2.gz QZFLDFNVEWSSFI-UHFFFAOYSA-N 1 0 364.449 2.234 50 0 FEAARO CC[NH+](CC)CCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770118 220164080 /nfs/dbraw/zinc/16/40/80/220164080.db2.gz KHVZIIYPUVBQLU-UHFFFAOYSA-N 1 0 361.515 2.366 50 0 FEAARO O=C(NCCC[NH+]1CCCC1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000075550268 542187402 /nfs/dbraw/zinc/18/74/02/542187402.db2.gz ATXAUEUVYNTQRC-UHFFFAOYSA-N 1 0 353.470 2.446 50 0 FEAARO C[NH+](C)CCCNC(=O)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000020602504 220334576 /nfs/dbraw/zinc/33/45/76/220334576.db2.gz BBJDAKPXELJBMY-AWEZNQCLSA-N 1 0 354.248 2.010 50 0 FEAARO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1F ZINC000077379066 542374684 /nfs/dbraw/zinc/37/46/84/542374684.db2.gz URTRIIDOFIPLQW-UHFFFAOYSA-N 1 0 358.479 2.256 50 0 FEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1)NCc1ccccc1 ZINC000077406757 542379139 /nfs/dbraw/zinc/37/91/39/542379139.db2.gz UJVMNXCHMRKJEQ-NRFANRHFSA-N 1 0 355.482 2.170 50 0 FEAARO O=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407444 542379489 /nfs/dbraw/zinc/37/94/89/542379489.db2.gz SPDSRMWAOTWKLQ-KRWDZBQOSA-N 1 0 372.387 2.005 50 0 FEAARO Cn1c(CN2CCC(O)CC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000077523774 542392247 /nfs/dbraw/zinc/39/22/47/542392247.db2.gz MLYKVCIXJVWJAA-UHFFFAOYSA-N 1 0 361.534 2.284 50 0 FEAARO O=C(N[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1O)c1ccncc1 ZINC000077471260 542385735 /nfs/dbraw/zinc/38/57/35/542385735.db2.gz KAYDKKQRIUHMPT-PEIWMTSQSA-N 1 0 355.413 2.099 50 0 FEAARO Cc1cc(C)n(Cc2c(C)onc2C(=O)NCC[C@@H](C)[NH+]2CCCC2)n1 ZINC000020994074 220347637 /nfs/dbraw/zinc/34/76/37/220347637.db2.gz IWUYAYSMVGRUIF-CQSZACIVSA-N 1 0 359.474 2.449 50 0 FEAARO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000022086358 220377643 /nfs/dbraw/zinc/37/76/43/220377643.db2.gz NMWDVLGNFBMQGS-OAHLLOKOSA-N 1 0 374.485 2.207 50 0 FEAARO CC[NH+]1CCN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000022466299 220387349 /nfs/dbraw/zinc/38/73/49/220387349.db2.gz VKZRATRVJOEJLV-LJQANCHMSA-N 1 0 364.530 2.378 50 0 FEAARO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Cl ZINC000027350227 220531413 /nfs/dbraw/zinc/53/14/13/220531413.db2.gz NOQFDEJXJUAUJT-UHFFFAOYSA-N 1 0 354.859 2.498 50 0 FEAARO CC(C)C[N@@H+]1CCC[C@H](C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000048325994 221008000 /nfs/dbraw/zinc/00/80/00/221008000.db2.gz JFQBLTNIYZRVON-INIZCTEOSA-N 1 0 361.486 2.368 50 0 FEAARO Cc1ccc([C@H](C[NH2+]Cc2cnc(N(C)C)s2)N2CCOCC2)o1 ZINC000048368712 221011292 /nfs/dbraw/zinc/01/12/92/221011292.db2.gz DYZDYBRQAFFOQR-HNNXBMFYSA-N 1 0 350.488 2.274 50 0 FEAARO C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)CC1 ZINC000057053991 221084027 /nfs/dbraw/zinc/08/40/27/221084027.db2.gz OECZJERHHRDGLQ-HXUWFJFHSA-N 1 0 367.449 2.213 50 0 FEAARO O=C(C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)N1CCN(C(=O)C2CC2)CC1 ZINC000058180036 221103182 /nfs/dbraw/zinc/10/31/82/221103182.db2.gz BUICERQMGOPLGY-HXUWFJFHSA-N 1 0 367.493 2.219 50 0 FEAARO C[NH+](C)C1(CNC(=O)CNC(=O)c2cc(-c3ccccc3)on2)CCCC1 ZINC000058218467 221109170 /nfs/dbraw/zinc/10/91/70/221109170.db2.gz NKFUUJOZKIXBFG-UHFFFAOYSA-N 1 0 370.453 2.062 50 0 FEAARO Cc1sc2ncn(C[C@H](O)C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1C ZINC000058160937 221100253 /nfs/dbraw/zinc/10/02/53/221100253.db2.gz HRXSEVSFHJKIDZ-QGZVFWFLSA-N 1 0 369.490 2.494 50 0 FEAARO C[C@@H](NC(=O)c1ccco1)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000058332611 221114738 /nfs/dbraw/zinc/11/47/38/221114738.db2.gz JHDBPGMICOFFTH-CQSZACIVSA-N 1 0 361.417 2.127 50 0 FEAARO Cc1cc2[nH]c(C(=O)NCCCN3CCOCC3)c(C[NH+](C)C)c2s1 ZINC000065139119 221171770 /nfs/dbraw/zinc/17/17/70/221171770.db2.gz XIPWKGMHASSMKY-UHFFFAOYSA-N 1 0 364.515 2.052 50 0 FEAARO CCNc1cc(N2CCC(CCC(=O)N3CCC[N@H+](C)CC3)CC2)ncn1 ZINC000065274003 221193324 /nfs/dbraw/zinc/19/33/24/221193324.db2.gz HXGXHPGGZDFMGF-UHFFFAOYSA-N 1 0 374.533 2.069 50 0 FEAARO COC[C@@H]1CCCN1C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065382613 221207781 /nfs/dbraw/zinc/20/77/81/221207781.db2.gz OXLCHTLLMJPUAJ-HNNXBMFYSA-N 1 0 352.862 2.478 50 0 FEAARO O=C(NCc1csc(N2CCOCC2)n1)C1([NH+]2CCCC2)CCCC1 ZINC000065385947 221208185 /nfs/dbraw/zinc/20/81/85/221208185.db2.gz PQQFKFGJPWOXLI-UHFFFAOYSA-N 1 0 364.515 2.005 50 0 FEAARO Cc1nc(NC(=O)c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)cc2)nn1C ZINC000065504032 221227877 /nfs/dbraw/zinc/22/78/77/221227877.db2.gz UHYMYRFSUYJCRW-SFHVURJKSA-N 1 0 368.485 2.046 50 0 FEAARO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000079074083 542497910 /nfs/dbraw/zinc/49/79/10/542497910.db2.gz QMNCFBUIJLBRMH-INIZCTEOSA-N 1 0 358.486 2.438 50 0 FEAARO C[N@H+](CCc1ccc(Br)cc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000066539561 221244929 /nfs/dbraw/zinc/24/49/29/221244929.db2.gz JLJUJOIWDWNNFH-UHFFFAOYSA-N 1 0 361.243 2.460 50 0 FEAARO C[C@H](Nc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1)C1CC1 ZINC000067446588 221254271 /nfs/dbraw/zinc/25/42/71/221254271.db2.gz WYAHREXWOYGFGJ-HNNXBMFYSA-N 1 0 358.486 2.229 50 0 FEAARO O[C@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)C[C@@H]1[NH+]1CCCC1 ZINC000067589065 221261319 /nfs/dbraw/zinc/26/13/19/221261319.db2.gz GYRFMTQQJCYHGM-PMACEKPBSA-N 1 0 363.465 2.037 50 0 FEAARO CCNc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000067603847 221262239 /nfs/dbraw/zinc/26/22/39/221262239.db2.gz BYTNHNNCHZHVDT-UHFFFAOYSA-N 1 0 355.442 2.188 50 0 FEAARO CCn1c(=O)n(C)nc1[C@H]1CCC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000067727045 221277531 /nfs/dbraw/zinc/27/75/31/221277531.db2.gz HPZQSFXCBADPBK-ZDUSSCGKSA-N 1 0 372.498 2.433 50 0 FEAARO O=C(c1ccc(NC2CC=CC2)nc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000067688839 221270142 /nfs/dbraw/zinc/27/01/42/221270142.db2.gz SZRKROSRCNVKFL-UHFFFAOYSA-N 1 0 356.470 2.149 50 0 FEAARO Cc1cc(C[N@@H+](C)C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)on1 ZINC000067818312 221289819 /nfs/dbraw/zinc/28/98/19/221289819.db2.gz VHKSESINHGNYNA-OAQYLSRUSA-N 1 0 371.481 2.401 50 0 FEAARO CC(C)([NH3+])C(=O)N1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000067819169 221289961 /nfs/dbraw/zinc/28/99/61/221289961.db2.gz VLJWDVMSCAFQMA-UHFFFAOYSA-N 1 0 355.442 2.036 50 0 FEAARO O=C(c1cncc(N2CCCC3(CC[NH2+]CC3)CC2)n1)N1CCCCC1 ZINC000067772199 221283637 /nfs/dbraw/zinc/28/36/37/221283637.db2.gz CVDKCKJEGOBISO-UHFFFAOYSA-N 1 0 357.502 2.463 50 0 FEAARO [NH3+]CCCNc1ccc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cn1 ZINC000067886020 221301315 /nfs/dbraw/zinc/30/13/15/221301315.db2.gz ZFNKSULZJZKEPB-QGZVFWFLSA-N 1 0 356.474 2.124 50 0 FEAARO O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@@H](Cn3ccnc3)C2)CC1 ZINC000067910429 221303888 /nfs/dbraw/zinc/30/38/88/221303888.db2.gz WKIMDIJZDIWWSR-KRWDZBQOSA-N 1 0 353.470 2.295 50 0 FEAARO Cc1ccccc1[C@H](C(=O)N1CCC[N@H+](C)C2(CCN(C)CC2)C1)N(C)C ZINC000067947729 221307646 /nfs/dbraw/zinc/30/76/46/221307646.db2.gz FXDJXMSBVAJQHM-HXUWFJFHSA-N 1 0 372.557 2.226 50 0 FEAARO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000070037465 221330431 /nfs/dbraw/zinc/33/04/31/221330431.db2.gz GILIYRGIWXEMCL-ZWKOTPCHSA-N 1 0 367.449 2.250 50 0 FEAARO CC(C)c1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)no1 ZINC000071419566 221347119 /nfs/dbraw/zinc/34/71/19/221347119.db2.gz RCCDYWTUILIPDZ-CQSZACIVSA-N 1 0 361.490 2.152 50 0 FEAARO COc1cccc([C@@H]2CN(C(=O)C3(O)CCCC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000071749973 221361436 /nfs/dbraw/zinc/36/14/36/221361436.db2.gz TXSCDTJADAKRBC-XUVXKRRUSA-N 1 0 370.493 2.389 50 0 FEAARO C[C@@H](C1CCN(C(=O)c2nn(C)c3ccccc32)CC1)[NH+]1CCOCC1 ZINC000071750758 221362720 /nfs/dbraw/zinc/36/27/20/221362720.db2.gz YWPCOBXQLFLFQQ-HNNXBMFYSA-N 1 0 356.470 2.146 50 0 FEAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000071753102 221364301 /nfs/dbraw/zinc/36/43/01/221364301.db2.gz VDSVFOGYBBRLOQ-INIZCTEOSA-N 1 0 358.486 2.411 50 0 FEAARO Cc1nc(Cn2nc([C@@H]3CCC[NH2+]C3)n(-c3ccccc3)c2=O)cs1 ZINC000071760982 221368284 /nfs/dbraw/zinc/36/82/84/221368284.db2.gz PUKZYECBSPGOLK-CQSZACIVSA-N 1 0 355.467 2.314 50 0 FEAARO CCn1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071639401 221353836 /nfs/dbraw/zinc/35/38/36/221353836.db2.gz BRTOSTIJGZECKM-IBGZPJMESA-N 1 0 373.545 2.202 50 0 FEAARO O=c1[nH]cc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)c(=O)[nH]1 ZINC000071714626 221354724 /nfs/dbraw/zinc/35/47/24/221354724.db2.gz ZXQWPNARAPKATM-UHFFFAOYSA-N 1 0 374.400 2.430 50 0 FEAARO Cc1ccccc1CN(C)c1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1 ZINC000071774629 221374167 /nfs/dbraw/zinc/37/41/67/221374167.db2.gz SWFGSYMPBPGFRN-HNNXBMFYSA-N 1 0 374.510 2.292 50 0 FEAARO CCOCc1nc2c(c(N(C)Cc3ccc(CC)cn3)n1)CC[NH2+]CC2 ZINC000072409080 221500902 /nfs/dbraw/zinc/50/09/02/221500902.db2.gz VEVUIAGPGYVEEM-UHFFFAOYSA-N 1 0 355.486 2.295 50 0 FEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](CC(=O)NCc3ccccc3F)[C@H]2C1 ZINC000299783322 533261691 /nfs/dbraw/zinc/26/16/91/533261691.db2.gz ZBJVCQHQFODSII-VDZJLULYSA-N 1 0 350.434 2.100 50 0 FEAARO Cc1[nH][nH]c(=O)c1CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299780788 533592447 /nfs/dbraw/zinc/59/24/47/533592447.db2.gz CUVAPXKISBTEBO-KRWDZBQOSA-N 1 0 356.470 2.115 50 0 FEAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000082106913 542684053 /nfs/dbraw/zinc/68/40/53/542684053.db2.gz BAMXWDLGEBHQAS-FQEVSTJZSA-N 1 0 364.461 2.421 50 0 FEAARO CC(C)C[N@@H+]1CCCn2nc(CNS(=O)(=O)c3ccccc3)cc2C1 ZINC000082109233 542684561 /nfs/dbraw/zinc/68/45/61/542684561.db2.gz FJIDWWBGYZQWPM-UHFFFAOYSA-N 1 0 362.499 2.223 50 0 FEAARO COc1cc(OC)c(C(=O)CCC(=O)N2CCCC[C@H]([NH3+])C2)cc1OC ZINC000082138641 542685201 /nfs/dbraw/zinc/68/52/01/542685201.db2.gz DSHBPCLMMWIPGL-ZDUSSCGKSA-N 1 0 364.442 2.015 50 0 FEAARO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)C1 ZINC000089313993 132199877 /nfs/dbraw/zinc/19/98/77/132199877.db2.gz XOSMGDBXDMIMDM-HOTGVXAUSA-N 1 0 359.470 2.181 50 0 FEAARO Cc1ccc(N2C[C@@H](Cc3ccccc3)N(C(=O)CC[NH3+])CC2=O)cc1 ZINC000091625733 132202712 /nfs/dbraw/zinc/20/27/12/132202712.db2.gz HQEULXIYYFRPIF-LJQANCHMSA-N 1 0 351.450 2.130 50 0 FEAARO CC[C@H](NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1)c1nc(C)no1 ZINC000095353622 132206870 /nfs/dbraw/zinc/20/68/70/132206870.db2.gz PYWIHJWSTZRNCG-SFHVURJKSA-N 1 0 371.485 2.466 50 0 FEAARO CCCc1cncnc1N1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000095517154 132213654 /nfs/dbraw/zinc/21/36/54/132213654.db2.gz FXPZXKLDMPREPQ-UHFFFAOYSA-N 1 0 366.469 2.357 50 0 FEAARO Cc1cnc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)nc1N(C)C ZINC000095523340 132214313 /nfs/dbraw/zinc/21/43/13/132214313.db2.gz DEVDCWRWGVOKLC-KRWDZBQOSA-N 1 0 371.533 2.383 50 0 FEAARO Cc1cnc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)nc1N(C)C ZINC000095523341 132214349 /nfs/dbraw/zinc/21/43/49/132214349.db2.gz DEVDCWRWGVOKLC-QGZVFWFLSA-N 1 0 371.533 2.383 50 0 FEAARO CSCC[NH+]1CCN(c2ncnc3c2Cc2ccccc2OC3)CC1 ZINC000096180089 132221728 /nfs/dbraw/zinc/22/17/28/132221728.db2.gz TXCGYVSZTZYBRS-UHFFFAOYSA-N 1 0 356.495 2.445 50 0 FEAARO CC(C)[C@H]([NH2+]C1CCN(c2ncnc3nc[nH]c32)CC1)c1nccn1C ZINC000096166388 132221877 /nfs/dbraw/zinc/22/18/77/132221877.db2.gz GDSKVKMIVVIRMM-AWEZNQCLSA-N 1 0 354.462 2.042 50 0 FEAARO CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237165156 132246669 /nfs/dbraw/zinc/24/66/69/132246669.db2.gz HOTGESYZUFHDMA-FQEVSTJZSA-N 1 0 365.477 2.196 50 0 FEAARO CCc1nc(CCNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000218802986 132273231 /nfs/dbraw/zinc/27/32/31/132273231.db2.gz GRRMDYVUVUGDBB-UHFFFAOYSA-N 1 0 358.511 2.430 50 0 FEAARO COCc1nc(C2CC([NH3+])C2)cc(N2CCC(CCn3cccn3)CC2)n1 ZINC000223264881 132278709 /nfs/dbraw/zinc/27/87/09/132278709.db2.gz NFMZLDZVZFXROW-UHFFFAOYSA-N 1 0 370.501 2.331 50 0 FEAARO [NH3+][C@H]1C[C@H](c2cc(N3CCN(c4nc5ccccc5o4)CC3)ncn2)C1 ZINC000244734917 132290961 /nfs/dbraw/zinc/29/09/61/132290961.db2.gz NNZBVPLHMKJJEY-HDJSIYSDSA-N 1 0 350.426 2.149 50 0 FEAARO Cc1cc(C)cc(C(=O)N2CCN(c3nc(N(C)C)cc(C)[nH+]3)CC2)c1 ZINC000009620630 132379227 /nfs/dbraw/zinc/37/92/27/132379227.db2.gz LTZBOEIVGDVQQH-UHFFFAOYSA-N 1 0 353.470 2.430 50 0 FEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc(Nc3ccccc3)nc2)CC1 ZINC000091535608 542811770 /nfs/dbraw/zinc/81/17/70/542811770.db2.gz JSMUMHCJUFUEDF-HXUWFJFHSA-N 1 0 369.469 2.139 50 0 FEAARO CC[N@H+](C)[C@@H](C)C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091626050 542816301 /nfs/dbraw/zinc/81/63/01/542816301.db2.gz PDTFXGBRMSQOQY-KRWDZBQOSA-N 1 0 372.513 2.153 50 0 FEAARO O=c1cc(C[NH+]2CCC(O)(Cn3ccnc3)CC2)[nH]c2ccc(F)cc12 ZINC000091624809 542816589 /nfs/dbraw/zinc/81/65/89/542816589.db2.gz JUOROWPGJNWHLA-UHFFFAOYSA-N 1 0 356.401 2.303 50 0 FEAARO CC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1cccc(OC)c1O)CC2 ZINC000091691544 542820692 /nfs/dbraw/zinc/82/06/92/542820692.db2.gz RFUVWTBWLIMFBX-UHFFFAOYSA-N 1 0 370.453 2.133 50 0 FEAARO O=C(c1ccc(-n2ccnc2)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091724543 542821316 /nfs/dbraw/zinc/82/13/16/542821316.db2.gz LPIQYJIRHUSEEX-RTBURBONSA-N 1 0 368.481 2.039 50 0 FEAARO Cc1c2cccc(Cl)c2[nH]c1CN1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091713806 542821575 /nfs/dbraw/zinc/82/15/75/542821575.db2.gz OUSKNIKNUOJQRF-HUUCEWRRSA-N 1 0 365.905 2.094 50 0 FEAARO CCn1nc(CC(C)C)cc1C(=O)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000091746213 542823603 /nfs/dbraw/zinc/82/36/03/542823603.db2.gz GXWZXCGANXDAQC-SFHVURJKSA-N 1 0 362.518 2.428 50 0 FEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2CCOc2ccc(Cl)cc2)C1 ZINC000091756086 542823625 /nfs/dbraw/zinc/82/36/25/542823625.db2.gz BBZDUURMLVXSNM-DOTOQJQBSA-N 1 0 365.905 2.203 50 0 FEAARO Cc1ccccc1C(=O)N1CCC(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)CC1 ZINC000091782275 542825818 /nfs/dbraw/zinc/82/58/18/542825818.db2.gz GXGOPPZCJOOJAE-IEBWSBKVSA-N 1 0 369.509 2.400 50 0 FEAARO Cc1n[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091794513 542825855 /nfs/dbraw/zinc/82/58/55/542825855.db2.gz NRDDORIVVMQVRU-RBUKOAKNSA-N 1 0 367.497 2.477 50 0 FEAARO c1cnc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccc4c(c3)OCCO4)C2)cn1 ZINC000091859100 542829092 /nfs/dbraw/zinc/82/90/92/542829092.db2.gz LIGSAZHKKAWLMR-IAGOWNOFSA-N 1 0 352.438 2.349 50 0 FEAARO Cc1nccn1Cc1nnc(C2CC[NH+](Cc3ccncc3)CC2)n1C ZINC000092045599 542841348 /nfs/dbraw/zinc/84/13/48/542841348.db2.gz ZSIYQCXXXYZSKT-UHFFFAOYSA-N 1 0 351.458 2.143 50 0 FEAARO COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CC1=Cc3cccc(OC)c3OC1)C2 ZINC000092046768 542841443 /nfs/dbraw/zinc/84/14/43/542841443.db2.gz CKOBAOWQJQJCAF-ZWKOTPCHSA-N 1 0 372.465 2.040 50 0 FEAARO Cn1c(Cn2cccn2)nnc1[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000095368851 542961974 /nfs/dbraw/zinc/96/19/74/542961974.db2.gz XNWXADOBUGJIPV-QGZVFWFLSA-N 1 0 366.469 2.318 50 0 FEAARO O=C(NCCc1noc([C@H]2CCCO2)n1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095371313 542962677 /nfs/dbraw/zinc/96/26/77/542962677.db2.gz NHMDNNYWKUVSMY-MRXNPFEDSA-N 1 0 374.441 2.085 50 0 FEAARO Cc1ccccc1[C@@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)N(C)C ZINC000095371903 542962695 /nfs/dbraw/zinc/96/26/95/542962695.db2.gz QHHWBJNGTNJMQF-FQEVSTJZSA-N 1 0 359.514 2.045 50 0 FEAARO C[C@H](NC(=O)CCn1ccnc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000069583014 136137980 /nfs/dbraw/zinc/13/79/80/136137980.db2.gz HUJTVJKGUDJTEE-HNNXBMFYSA-N 1 0 359.449 2.042 50 0 FEAARO COc1ccccc1N1CC[N@H+](Cc2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000072148732 136142612 /nfs/dbraw/zinc/14/26/12/136142612.db2.gz FWCWKZGPUCUFMQ-MRXNPFEDSA-N 1 0 369.465 2.270 50 0 FEAARO CN(C)C(=O)c1cncc(N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000072152557 136142867 /nfs/dbraw/zinc/14/28/67/136142867.db2.gz XIZQBUMROKFGBA-QGZVFWFLSA-N 1 0 353.470 2.279 50 0 FEAARO Cc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CCc3cccs3)C2)nc(N)[nH+]1 ZINC000072426537 136146426 /nfs/dbraw/zinc/14/64/26/136146426.db2.gz YNHYDDYRMHVZNA-GOEBONIOSA-N 1 0 371.510 2.489 50 0 FEAARO Cc1ccc2c(c1)[C@@]1([NH2+][C@H](C(C)C)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000095346216 542957693 /nfs/dbraw/zinc/95/76/93/542957693.db2.gz YYDFFHKIEHTPIA-CMBDLQSPSA-N 1 0 369.465 2.170 50 0 FEAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000095357646 542958900 /nfs/dbraw/zinc/95/89/00/542958900.db2.gz OAPKLJWDTDOKQT-FQEVSTJZSA-N 1 0 371.525 2.047 50 0 FEAARO COc1cccc([C@H]2CN(c3cc(N)ncn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095362163 542959647 /nfs/dbraw/zinc/95/96/47/542959647.db2.gz ATNZFKJZJBCOSZ-NSISKUIASA-N 1 0 351.454 2.134 50 0 FEAARO COc1ccc([C@@H]2CN(C(=O)c3nccn3C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095361389 542960238 /nfs/dbraw/zinc/96/02/38/542960238.db2.gz XLZHMEWVICDSOK-IPMKNSEASA-N 1 0 366.465 2.131 50 0 FEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2CO)CC1 ZINC000095364130 542960507 /nfs/dbraw/zinc/96/05/07/542960507.db2.gz PZHJTTJGJISFHD-FQEVSTJZSA-N 1 0 359.514 2.088 50 0 FEAARO COc1cccc([C@H]2CN(C(=O)c3cnccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095379560 542964480 /nfs/dbraw/zinc/96/44/80/542964480.db2.gz QWLNGKBSXQSIJW-MISYRCLQSA-N 1 0 364.449 2.188 50 0 FEAARO CC[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095389576 542968278 /nfs/dbraw/zinc/96/82/78/542968278.db2.gz WQOHDHHUEKTBDU-CWFSZBLJSA-N 1 0 363.452 2.305 50 0 FEAARO Cc1ccc(CCCC(=O)N(C)CC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000095393615 542969187 /nfs/dbraw/zinc/96/91/87/542969187.db2.gz NFBJLGSVMZAZGZ-UHFFFAOYSA-N 1 0 359.514 2.329 50 0 FEAARO CC[N@H+](CCC1CCN(C(=O)NCc2nnc3n2CCC3)CC1)CC1CC1 ZINC000095457479 542970762 /nfs/dbraw/zinc/97/07/62/542970762.db2.gz LTLSETOUULDXKI-UHFFFAOYSA-N 1 0 374.533 2.268 50 0 FEAARO C[NH+](C)CCn1ccc(NC(=O)N2CCC(Cc3cccnc3)CC2)n1 ZINC000095458242 542971277 /nfs/dbraw/zinc/97/12/77/542971277.db2.gz RCXIRESFWFKPOX-UHFFFAOYSA-N 1 0 356.474 2.326 50 0 FEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000095497199 542972975 /nfs/dbraw/zinc/97/29/75/542972975.db2.gz VPNIELVVFRFOAZ-SFHVURJKSA-N 1 0 368.481 2.399 50 0 FEAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(=O)n3cc(Cl)ccc3n1)C2 ZINC000095518704 542979030 /nfs/dbraw/zinc/97/90/30/542979030.db2.gz GRBZVRJUYQZEOE-XJKSGUPXSA-N 1 0 374.872 2.181 50 0 FEAARO CNC(=O)CCc1nc(CCc2ccccc2)nn1C1CC[NH+](C)CC1 ZINC000095523263 542979941 /nfs/dbraw/zinc/97/99/41/542979941.db2.gz QXPHJIOASMXFQH-UHFFFAOYSA-N 1 0 355.486 2.009 50 0 FEAARO Cc1noc(C)c1S(=O)(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095524018 542980030 /nfs/dbraw/zinc/98/00/30/542980030.db2.gz MZYFMOUYAXYHCK-DLBZAZTESA-N 1 0 363.483 2.318 50 0 FEAARO Cn1cnnc1CCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095523050 542980037 /nfs/dbraw/zinc/98/00/37/542980037.db2.gz JWDPDQDCZXYGQB-GOSISDBHSA-N 1 0 367.497 2.228 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 ZINC000095524581 542981277 /nfs/dbraw/zinc/98/12/77/542981277.db2.gz GYLMWXKQIVLMDA-UHFFFAOYSA-N 1 0 368.485 2.021 50 0 FEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccnc(NC)c1)CC2 ZINC000095527974 542981598 /nfs/dbraw/zinc/98/15/98/542981598.db2.gz OUBLSIIYLCQXNS-UHFFFAOYSA-N 1 0 368.485 2.246 50 0 FEAARO COc1ccnc(N2CC[NH+](CCCc3nc4ccccc4o3)CC2)n1 ZINC000098134041 543022854 /nfs/dbraw/zinc/02/28/54/543022854.db2.gz IJNIDWRUEQQRQF-UHFFFAOYSA-N 1 0 353.426 2.381 50 0 FEAARO CC[C@H]1CN(C(=O)NC2CCN(c3ccccc3)CC2)CC[N@@H+]1CCOC ZINC000117484173 543633057 /nfs/dbraw/zinc/63/30/57/543633057.db2.gz JDBSQRJQUDITIC-IBGZPJMESA-N 1 0 374.529 2.408 50 0 FEAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000125877833 543906998 /nfs/dbraw/zinc/90/69/98/543906998.db2.gz JOPQWHIRWHNKLT-HNNXBMFYSA-N 1 0 358.463 2.094 50 0 FEAARO CCn1nc(C)cc1C(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OC ZINC000072478801 221552306 /nfs/dbraw/zinc/55/23/06/221552306.db2.gz BKAFQDSPDDCTPU-MOPGFXCFSA-N 1 0 368.481 2.332 50 0 FEAARO COc1ccc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1Cl ZINC000077566381 221645617 /nfs/dbraw/zinc/64/56/17/221645617.db2.gz LOWLRYNGAFVQST-SFHVURJKSA-N 1 0 352.862 2.412 50 0 FEAARO Cc1c(O)cccc1C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091425560 221756465 /nfs/dbraw/zinc/75/64/65/221756465.db2.gz RWRJAYCNGQDSMW-UHFFFAOYSA-N 1 0 373.497 2.107 50 0 FEAARO COc1cc2c(cc1C(=O)N1C[C@H](CO)C[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000091915185 221812702 /nfs/dbraw/zinc/81/27/02/221812702.db2.gz VXXAKTWRODRGJC-IAGOWNOFSA-N 1 0 372.509 2.350 50 0 FEAARO CC(C)n1cc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cn1 ZINC000095369641 221871170 /nfs/dbraw/zinc/87/11/70/221871170.db2.gz HBKWRVWKCNOUKI-MRXNPFEDSA-N 1 0 358.490 2.242 50 0 FEAARO CN(CCC[NH+]1CCCCCC1)C(=O)[C@@H](c1cccnc1)N1CCOCC1 ZINC000095372027 221874815 /nfs/dbraw/zinc/87/48/15/221874815.db2.gz XCBVCHBVDFJYTA-HXUWFJFHSA-N 1 0 374.529 2.179 50 0 FEAARO Cc1cc(=O)oc2cc(NC(=O)N3CCOC[C@H](C[NH+](C)C)C3)ccc12 ZINC000095517783 221943378 /nfs/dbraw/zinc/94/33/78/221943378.db2.gz RAFYOGNERKSEQV-CQSZACIVSA-N 1 0 359.426 2.143 50 0 FEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000096149561 222052435 /nfs/dbraw/zinc/05/24/35/222052435.db2.gz ARSLEHSRMAJSNB-INIZCTEOSA-N 1 0 357.458 2.352 50 0 FEAARO CN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)[C@@H](C[NH3+])C1 ZINC000097019727 222152113 /nfs/dbraw/zinc/15/21/13/222152113.db2.gz TUHZINBHCMVALX-LBPRGKRZSA-N 1 0 356.451 2.271 50 0 FEAARO O=C(c1ccoc1)N1CCC2(CC[NH+](Cc3ccccn3)CC2)[C@H](CO)C1 ZINC000097217392 222168789 /nfs/dbraw/zinc/16/87/89/222168789.db2.gz CAFUXDXBRUSHCF-SFHVURJKSA-N 1 0 369.465 2.411 50 0 FEAARO Cc1c(C[N@@H+](C)[C@@H](C)Cc2cnccn2)c(=O)n(-c2ccccc2)n1C ZINC000097475423 222182918 /nfs/dbraw/zinc/18/29/18/222182918.db2.gz OPRKIUHRZQATKE-HNNXBMFYSA-N 1 0 351.454 2.337 50 0 FEAARO Cc1n[nH]c(CCC(=O)NC2CC[NH+](Cc3cccc(O)c3)CC2)c1C ZINC000097759209 222211639 /nfs/dbraw/zinc/21/16/39/222211639.db2.gz OEZHNHZKIJWFMZ-UHFFFAOYSA-N 1 0 356.470 2.446 50 0 FEAARO CN1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000100118546 222236427 /nfs/dbraw/zinc/23/64/27/222236427.db2.gz UQTAWJIEOXEUBF-IBGZPJMESA-N 1 0 365.433 2.358 50 0 FEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CC2=CSC3=NCCCN23)CC1 ZINC000102680564 222304297 /nfs/dbraw/zinc/30/42/97/222304297.db2.gz KXVXGFKEAKTJBD-UHFFFAOYSA-N 1 0 371.510 2.469 50 0 FEAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105471799 222369256 /nfs/dbraw/zinc/36/92/56/222369256.db2.gz ZMMQZOMRIXNRSD-HNNXBMFYSA-N 1 0 352.841 2.393 50 0 FEAARO CC[NH+](CC)[C@@H]1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)C1 ZINC000106920717 222388679 /nfs/dbraw/zinc/38/86/79/222388679.db2.gz JYSRBIVQRLSWPA-HUUCEWRRSA-N 1 0 353.457 2.428 50 0 FEAARO Cc1ccccc1N1CCCN(C(=O)CC[N@@H+](C)[C@H]2CCN(C)C2)CC1 ZINC000107405773 222394584 /nfs/dbraw/zinc/39/45/84/222394584.db2.gz VAUOZIREAQHIGJ-IBGZPJMESA-N 1 0 358.530 2.060 50 0 FEAARO CN1CCN(C(=O)C2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)CC1 ZINC000020455048 263380486 /nfs/dbraw/zinc/38/04/86/263380486.db2.gz YOJSAMJRRFGMFA-UHFFFAOYSA-N 1 0 363.505 2.430 50 0 FEAARO Cc1ccc2nc(CN3CC[NH+](CCc4cccs4)CC3)cc(=O)n2c1 ZINC000058174482 263413762 /nfs/dbraw/zinc/41/37/62/263413762.db2.gz YROQFAIYBUAHRD-UHFFFAOYSA-N 1 0 368.506 2.425 50 0 FEAARO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000426388389 263574258 /nfs/dbraw/zinc/57/42/58/263574258.db2.gz JZGOMZJVMRKQJD-KRWDZBQOSA-N 1 0 373.476 2.166 50 0 FEAARO Cc1ccc(C(=O)N2CCOc3ccc(CO)cc3C2)c(OCCC[NH3+])c1 ZINC000299763771 534262043 /nfs/dbraw/zinc/26/20/43/534262043.db2.gz RMZRQFZYIRYWKP-UHFFFAOYSA-N 1 0 370.449 2.250 50 0 FEAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3cn4cccnc4n3)C[C@@H]12 ZINC000248622215 518837917 /nfs/dbraw/zinc/83/79/17/518837917.db2.gz TYWDASLHSNUNKK-FVQBIDKESA-N 1 0 357.458 2.464 50 0 FEAARO CCC[N@@H+]1CCCn2nc(CNC(=O)CCn3nc(C)c(C)c3C)cc2C1 ZINC000082092952 519854879 /nfs/dbraw/zinc/85/48/79/519854879.db2.gz NBCFTDBVVMHHEP-UHFFFAOYSA-N 1 0 372.517 2.327 50 0 FEAARO CN1CC[C@]2(CN(CCCOCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091452250 523899863 /nfs/dbraw/zinc/89/98/63/523899863.db2.gz RIIQCATWLGQEDD-NRFANRHFSA-N 1 0 359.514 2.222 50 0 FEAARO COc1ccccc1-n1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000091351092 524304012 /nfs/dbraw/zinc/30/40/12/524304012.db2.gz HXMWJVDDGJHRDY-UHFFFAOYSA-N 1 0 363.421 2.238 50 0 FEAARO Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1C ZINC000020375708 524718403 /nfs/dbraw/zinc/71/84/03/524718403.db2.gz OXIWMJKTWKJCSB-UHFFFAOYSA-N 1 0 354.454 2.468 50 0 FEAARO COc1ccc2[nH]c(CNC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)cc2c1 ZINC000252675880 525481532 /nfs/dbraw/zinc/48/15/32/525481532.db2.gz VIMHCOJLPDWGFX-OTVXOJSOSA-N 1 0 368.441 2.140 50 0 FEAARO COc1ccc2c(c1)C[C@@H]([NH+]1CCC(Cn3cc(CO)nn3)CC1)CC2 ZINC000020862783 525542982 /nfs/dbraw/zinc/54/29/82/525542982.db2.gz ZYCIHNHBXHYEIQ-IBGZPJMESA-N 1 0 356.470 2.049 50 0 FEAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccc(CO)o1 ZINC000082147822 526646040 /nfs/dbraw/zinc/64/60/40/526646040.db2.gz KZQGUOVKNQLJMI-UHFFFAOYSA-N 1 0 358.442 2.047 50 0 FEAARO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@H+](Cc1cc(C3CC3)n[nH]1)C2 ZINC000091444906 527036452 /nfs/dbraw/zinc/03/64/52/527036452.db2.gz NOOTYWYINGZFKE-FQEVSTJZSA-N 1 0 358.486 2.281 50 0 FEAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000178556651 527238072 /nfs/dbraw/zinc/23/80/72/527238072.db2.gz BPVTYWMPDPEKDW-SECBINFHSA-N 1 0 350.216 2.124 50 0 FEAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000158183132 527347413 /nfs/dbraw/zinc/34/74/13/527347413.db2.gz CBAXPFPEQFRKAH-SNVBAGLBSA-N 1 0 350.216 2.266 50 0 FEAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C1 ZINC000158556943 527400832 /nfs/dbraw/zinc/40/08/32/527400832.db2.gz ASAOSRZWJICJQP-KRWDZBQOSA-N 1 0 358.463 2.224 50 0 FEAARO O=c1oc2cccnc2n1CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000089424368 527501279 /nfs/dbraw/zinc/50/12/79/527501279.db2.gz JRTAHAPHVYAVFT-UHFFFAOYSA-N 1 0 370.428 2.337 50 0 FEAARO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH]n1 ZINC000169680675 546160107 /nfs/dbraw/zinc/16/01/07/546160107.db2.gz KJBYJLKQYRFYSL-QAPCUYQASA-N 1 0 370.501 2.421 50 0 FEAARO Cn1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cn1 ZINC000170614595 546166000 /nfs/dbraw/zinc/16/60/00/546166000.db2.gz PHWFWRUORUFADR-HOTGVXAUSA-N 1 0 366.387 2.347 50 0 FEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000178322951 546774353 /nfs/dbraw/zinc/77/43/53/546774353.db2.gz BCVQVZWGPOQYOB-QGZVFWFLSA-N 1 0 371.403 2.360 50 0 FEAARO C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)C1CCS(=O)(=O)CC1 ZINC000186987853 548235955 /nfs/dbraw/zinc/23/59/55/548235955.db2.gz PZTHOJXOXZKYOP-HNNXBMFYSA-N 1 0 364.511 2.112 50 0 FEAARO C[NH+](C)CCOc1ccccc1CN1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000215131092 548667784 /nfs/dbraw/zinc/66/77/84/548667784.db2.gz QPYBUNPCORJMHY-FQEVSTJZSA-N 1 0 371.456 2.439 50 0 FEAARO COc1cccc2c1OCC(C[N@@H+]1CCCO[C@H](Cn3cccn3)C1)=C2 ZINC000214991893 548667813 /nfs/dbraw/zinc/66/78/13/548667813.db2.gz FVGCCYGZOOHSAU-SFHVURJKSA-N 1 0 355.438 2.459 50 0 FEAARO CCCCc1nc(Cl)c(CN2CCC3(CC2)C(=O)NCCC[N@H+]3C)[nH]1 ZINC000215260674 548669603 /nfs/dbraw/zinc/66/96/03/548669603.db2.gz RDHBXIDLMXZRON-UHFFFAOYSA-N 1 0 367.925 2.192 50 0 FEAARO COc1cc(CN2CC[NH+](C3CCSCC3)CC2)cc2c1OCO2 ZINC000215428942 548671673 /nfs/dbraw/zinc/67/16/73/548671673.db2.gz BYLRBPJYHFUPLL-UHFFFAOYSA-N 1 0 350.484 2.437 50 0 FEAARO Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)c2ccccc2n1 ZINC000220641868 548700598 /nfs/dbraw/zinc/70/05/98/548700598.db2.gz JFVRQZGLQJXSET-MOPGFXCFSA-N 1 0 357.454 2.009 50 0 FEAARO Cc1nc2ccccc2n1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222806055 548711591 /nfs/dbraw/zinc/71/15/91/548711591.db2.gz VFUHIGKZPSSYGE-CGRMTHRGSA-N 1 0 368.481 2.103 50 0 FEAARO CCCCN1C(=O)CC[C@@H](C(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1OC ZINC000236775548 548778897 /nfs/dbraw/zinc/77/88/97/548778897.db2.gz PXQMGKOKQVGYIL-YLJYHZDGSA-N 1 0 373.497 2.207 50 0 FEAARO CN1C(=O)CC[C@@H](C(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000237061661 548797864 /nfs/dbraw/zinc/79/78/64/548797864.db2.gz GCHSXBUHPYRCRJ-IIAWOOMASA-N 1 0 369.387 2.175 50 0 FEAARO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000237211998 548808815 /nfs/dbraw/zinc/80/88/15/548808815.db2.gz MPJDFPJPLBVSQM-LBPRGKRZSA-N 1 0 361.305 2.378 50 0 FEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 ZINC000237428596 548825945 /nfs/dbraw/zinc/82/59/45/548825945.db2.gz YFAFVDPKWHXIMY-QWRGUYRKSA-N 1 0 352.378 2.333 50 0 FEAARO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)CC[NH2+]1 ZINC000237522210 548832779 /nfs/dbraw/zinc/83/27/79/548832779.db2.gz OCXKZVKTFNYKHA-VIFPVBQESA-N 1 0 350.216 2.137 50 0 FEAARO Cc1c(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)nnn1C1CC[NH2+]CC1 ZINC000237759508 548850676 /nfs/dbraw/zinc/85/06/76/548850676.db2.gz ZGLSBIZKPAEMAE-KSSFIOAISA-N 1 0 369.469 2.113 50 0 FEAARO [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000237964971 548867796 /nfs/dbraw/zinc/86/77/96/548867796.db2.gz LIJHREQPZWMHCS-YNEHKIRRSA-N 1 0 352.276 2.271 50 0 FEAARO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000238051218 548874773 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C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000252570857 549675235 /nfs/dbraw/zinc/67/52/35/549675235.db2.gz XLAXANMYUMRDGA-ZYSHUDEJSA-N 1 0 364.461 2.351 50 0 FEAARO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO)C1(c2ccccc2)CC1 ZINC000253396743 549685863 /nfs/dbraw/zinc/68/58/63/549685863.db2.gz BFZKEQUQJCGMJX-AZUAARDMSA-N 1 0 350.462 2.327 50 0 FEAARO O=c1[nH]c(CN2CC[NH+](C3CCSCC3)CC2)nc2ccsc21 ZINC000253537409 549691625 /nfs/dbraw/zinc/69/16/25/549691625.db2.gz WGGSLLUQDPAFCF-UHFFFAOYSA-N 1 0 350.513 2.410 50 0 FEAARO CN1C(=O)CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000257176341 549711578 /nfs/dbraw/zinc/71/15/78/549711578.db2.gz SHPCZLHIXVBPCV-UHFFFAOYSA-N 1 0 358.360 2.408 50 0 FEAARO CCN1C(=O)CC[N@H+](Cc2cccc(OC)c2OC)CC12CCOCC2 ZINC000257182801 549712443 /nfs/dbraw/zinc/71/24/43/549712443.db2.gz GWZPGSFRJFDKBF-UHFFFAOYSA-N 1 0 362.470 2.307 50 0 FEAARO O=C(CN1Cc2ccccc2C1=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000262105193 549789520 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FEAARO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000426563013 559737875 /nfs/dbraw/zinc/73/78/75/559737875.db2.gz CVZQNQXYZNSUEZ-OAHLLOKOSA-N 1 0 365.355 2.486 50 0 FEAARO COc1ccc2ccccc2c1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000426578512 559738180 /nfs/dbraw/zinc/73/81/80/559738180.db2.gz APFOFQWHQGMDKP-KRWDZBQOSA-N 1 0 368.481 2.038 50 0 FEAARO COc1ccccc1CN(C(=O)NCC[N@@H+]1CCCC[C@H]1CO)C1CC1 ZINC000426584659 559738336 /nfs/dbraw/zinc/73/83/36/559738336.db2.gz ISYVJBNPFVSLTP-SFHVURJKSA-N 1 0 361.486 2.216 50 0 FEAARO COc1ccccc1CNC(=O)N1CCCC[C@H]1CC[NH+]1CCN(C)CC1 ZINC000426667491 559739956 /nfs/dbraw/zinc/73/99/56/559739956.db2.gz NOZYENJWIUJZFP-IBGZPJMESA-N 1 0 374.529 2.397 50 0 FEAARO CO[C@]12CC[N@H+](Cc3cc(=O)[nH]c(C)n3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426690238 559740251 /nfs/dbraw/zinc/74/02/51/559740251.db2.gz GMTNDQZEKGASKT-FUHIMQAGSA-N 1 0 370.453 2.477 50 0 FEAARO CCOc1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ncccn3)[C@H](O)C1)CCC2 ZINC000426705856 559740663 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COc1ccc2[nH]c(CNC(=O)[C@@H]3CCC[N@@H+](C4CCOCC4)C3)nc2c1 ZINC000670472557 571052734 /nfs/dbraw/zinc/05/27/34/571052734.db2.gz BRGIMTHCYOYELE-CQSZACIVSA-N 1 0 372.469 2.079 50 0 FEAARO CCOC(=O)N1CCC(N2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)CC1 ZINC000039404875 571089212 /nfs/dbraw/zinc/08/92/12/571089212.db2.gz ATNAUFJFCLROAS-QGZVFWFLSA-N 1 0 355.523 2.022 50 0 FEAARO C[NH+]1CCC(c2nc(C(=O)N3C[C@@H](O)C[C@@H]3c3ccccc3)c[nH]2)CC1 ZINC000685942778 571103201 /nfs/dbraw/zinc/10/32/01/571103201.db2.gz VSDLVAAZMPZAAJ-FUHWJXTLSA-N 1 0 354.454 2.167 50 0 FEAARO C[C@@H](CCc1ccco1)NC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1 ZINC000033069173 571146387 /nfs/dbraw/zinc/14/63/87/571146387.db2.gz KUEIWLFSGIKANM-AWEZNQCLSA-N 1 0 358.442 2.452 50 0 FEAARO C[C@H]([NH2+]Cc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000090778724 571188639 /nfs/dbraw/zinc/18/86/39/571188639.db2.gz UOLLHBWFOLBXOA-ZDUSSCGKSA-N 1 0 366.458 2.419 50 0 FEAARO Cc1cc(F)ccc1-n1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nn1 ZINC000333803396 571203851 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CN(C)c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cc(Cl)ccc1F)CC2 ZINC000169751616 672321556 /nfs/dbraw/zinc/32/15/56/672321556.db2.gz QLUYOXXDUQNSCO-UHFFFAOYSA-N 1 0 350.825 2.229 50 0 FEAARO COCC[N@@H+]1CC[C@H](CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000952983736 681794995 /nfs/dbraw/zinc/79/49/95/681794995.db2.gz QURSULVGOGBYAV-OAHLLOKOSA-N 1 0 360.907 2.070 50 0 FEAARO