smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN([C@@H](c2ccc(Br)cc2)c2cc3c(cc2O)OCO3)CC1 ZINC000020736012 558407947 /nfs/dbraw/zinc/40/79/47/558407947.db2.gz SENLDFNCVBHPCU-IBGZPJMESA-N 1 1 405.292 3.220 50 10 HGCAMO CCOC(=O)C1C(C[N@H+](C)Cc2ccc(N(C)C)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270708 568825506 /nfs/dbraw/zinc/82/55/06/568825506.db2.gz ONVOVSIOPMECIP-QFIPXVFZSA-N 1 1 422.529 3.056 50 10 HGCAMO CCOC(=O)C1C(C[N@@H+](C)Cc2ccc(N(C)C)cc2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057270708 568825508 /nfs/dbraw/zinc/82/55/08/568825508.db2.gz ONVOVSIOPMECIP-QFIPXVFZSA-N 1 1 422.529 3.056 50 10 HGCAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)s1 ZINC000008801043 571120778 /nfs/dbraw/zinc/12/07/78/571120778.db2.gz OEXXJUDNTALDAO-LJQANCHMSA-N 1 1 405.589 3.164 50 10 HGCAMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)CC1 ZINC000019338820 558870825 /nfs/dbraw/zinc/87/08/25/558870825.db2.gz PNJLCIHVEUOYMM-DTQAZKPQSA-N 1 1 423.991 3.095 50 10 HGCAMO COc1ccc2c3c(n(CC[NH+]4CCCC4)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604405972 568490828 /nfs/dbraw/zinc/49/08/28/568490828.db2.gz VEPXWGGWPCCJRW-UHFFFAOYSA-N 1 1 404.466 3.326 50 10 biogenic HGCAMO CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1 ZINC000000658555 557042380 /nfs/dbraw/zinc/04/23/80/557042380.db2.gz GGWKNYWPPNRJGA-CPNJWEJPSA-N 1 1 410.543 3.197 50 10 HGCAMO CN(C)c1ccc([C@H](CNC(=O)C2CC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665627 557715043 /nfs/dbraw/zinc/71/50/43/557715043.db2.gz OHIDGIRTJFGCLX-QHCPKHFHSA-N 1 1 410.537 3.281 50 10 HGCAMO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000019228877 558853134 /nfs/dbraw/zinc/85/31/34/558853134.db2.gz TTXZETGYPVHLOM-LJQANCHMSA-N 1 1 412.530 3.441 50 10 HGCAMO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)c1 ZINC000067604033 558988193 /nfs/dbraw/zinc/98/81/93/558988193.db2.gz LXWNATMBYMQKLX-UHFFFAOYSA-N 1 1 420.601 3.275 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C3=CC[N@H+](Cc4ccccc4F)CC3)CC2)cc1 ZINC000015861013 569015463 /nfs/dbraw/zinc/01/54/63/569015463.db2.gz JBMLYKDUZAUHLA-UHFFFAOYSA-N 1 1 409.505 3.315 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C3=CC[N@@H+](Cc4ccccc4F)CC3)CC2)cc1 ZINC000015861013 569015464 /nfs/dbraw/zinc/01/54/64/569015464.db2.gz JBMLYKDUZAUHLA-UHFFFAOYSA-N 1 1 409.505 3.315 50 10 HGCAMO C[NH+]1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 ZINC000019790427 569429794 /nfs/dbraw/zinc/42/97/94/569429794.db2.gz MZTVWPWFESWGHU-VLGSPTGOSA-N 1 1 417.600 3.222 50 10 HGCAMO CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCC3)ccc21 ZINC000008799002 571120525 /nfs/dbraw/zinc/12/05/25/571120525.db2.gz SCDGTQCCSRATMP-IBGZPJMESA-N 1 1 405.589 3.246 50 10 HGCAMO O=c1oc2c(ccc3c2CN(c2ccc(C[NH+]4CCOCC4)cc2)CO3)c2c1CCC2 ZINC000020548480 527498344 /nfs/dbraw/zinc/49/83/44/527498344.db2.gz GZRMKOAYQANHAC-UHFFFAOYSA-N 1 1 418.493 3.470 50 10 HGCAMO CCN1CC[NH+](CCCNC(=O)c2ccc(-n3c(C)cc4c3CCCC4)cc2)CC1 ZINC000020927718 568651523 /nfs/dbraw/zinc/65/15/23/568651523.db2.gz PJHODLXRMOEMHM-UHFFFAOYSA-N 1 1 408.590 3.422 50 10 HGCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000056997174 568822398 /nfs/dbraw/zinc/82/23/98/568822398.db2.gz KWOMVHOXBXIODN-UHFFFAOYSA-N 1 1 407.436 3.266 50 10 HGCAMO CCOC(=O)c1c(C[NH+](C)C)n(C)c2cc(-c3cccnc3)c3c(c21)CN(C)CO3 ZINC000085393591 568985190 /nfs/dbraw/zinc/98/51/90/568985190.db2.gz QCQJYKGFQGFDMW-UHFFFAOYSA-N 1 1 408.502 3.260 50 10 HGCAMO O=S(=O)(c1ccccc1F)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000022309365 558477460 /nfs/dbraw/zinc/47/74/60/558477460.db2.gz LFRFGWCMUBXZEB-UHFFFAOYSA-N 1 1 400.475 3.191 50 10 HGCAMO CC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000058248936 558914852 /nfs/dbraw/zinc/91/48/52/558914852.db2.gz IAFMKPCPCKERFI-UHFFFAOYSA-N 1 1 400.523 3.449 50 10 HGCAMO CCc1cc(=O)oc2c(C)c(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc12 ZINC000409414926 559251048 /nfs/dbraw/zinc/25/10/48/559251048.db2.gz ZKQGTRNDKUTJSQ-WBVHZDCISA-N 1 1 406.482 3.150 50 10 biogenic HGCAMO CCc1cc(=O)oc2c(C)c(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc12 ZINC000409414926 559251049 /nfs/dbraw/zinc/25/10/49/559251049.db2.gz ZKQGTRNDKUTJSQ-WBVHZDCISA-N 1 1 406.482 3.150 50 10 biogenic HGCAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(OC)c3O)C[C@H]2CCO)c(C)c1C ZINC000104378724 569008432 /nfs/dbraw/zinc/00/84/32/569008432.db2.gz USOKSXGYKNYDKF-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc(OC)c3O)C[C@H]2CCO)c(C)c1C ZINC000104378724 569008433 /nfs/dbraw/zinc/00/84/33/569008433.db2.gz USOKSXGYKNYDKF-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(OC)c3O)C[C@H]2CCO)c(C)c1C ZINC000104378724 569008434 /nfs/dbraw/zinc/00/84/34/569008434.db2.gz USOKSXGYKNYDKF-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(N2CC[N@@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C)cc1 ZINC000005336279 536697678 /nfs/dbraw/zinc/69/76/78/536697678.db2.gz OVOLWPCBVFFBNB-KRWDZBQOSA-N 1 1 400.519 3.474 50 10 HGCAMO C[NH+]1CCN([C@H](c2ccc(Br)cc2)c2cc3c(cc2O)OCO3)CC1 ZINC000020736015 558407930 /nfs/dbraw/zinc/40/79/30/558407930.db2.gz SENLDFNCVBHPCU-LJQANCHMSA-N 1 1 405.292 3.220 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000022914513 558521079 /nfs/dbraw/zinc/52/10/79/558521079.db2.gz IJIFAXXQYQJBAN-NRFANRHFSA-N 1 1 409.530 3.211 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000022914513 558521080 /nfs/dbraw/zinc/52/10/80/558521080.db2.gz IJIFAXXQYQJBAN-NRFANRHFSA-N 1 1 409.530 3.211 50 10 HGCAMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023214727 558542742 /nfs/dbraw/zinc/54/27/42/558542742.db2.gz QKHKHAIJTHOEGF-QHCPKHFHSA-N 1 1 423.557 3.268 50 10 HGCAMO COC(=O)c1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023214727 558542744 /nfs/dbraw/zinc/54/27/44/558542744.db2.gz QKHKHAIJTHOEGF-QHCPKHFHSA-N 1 1 423.557 3.268 50 10 HGCAMO COC(=O)c1cc2ccccc2c(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000029539804 558716512 /nfs/dbraw/zinc/71/65/12/558716512.db2.gz DGIVGGJBMDBSMG-LJQANCHMSA-N 1 1 423.465 3.398 50 10 HGCAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000049421022 568450357 /nfs/dbraw/zinc/45/03/57/568450357.db2.gz JPDUQYQEEZYYGD-UHFFFAOYSA-N 1 1 414.307 3.262 50 10 HGCAMO Cc1cc(C(=O)C[N@@H+](C)Cc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000057439236 568836902 /nfs/dbraw/zinc/83/69/02/568836902.db2.gz OOMXMVJREKLYFU-UHFFFAOYSA-N 1 1 411.527 3.056 50 10 HGCAMO Cc1cc(C(=O)C[N@H+](C)Cc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000057439236 568836904 /nfs/dbraw/zinc/83/69/04/568836904.db2.gz OOMXMVJREKLYFU-UHFFFAOYSA-N 1 1 411.527 3.056 50 10 HGCAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000012850255 569010410 /nfs/dbraw/zinc/01/04/10/569010410.db2.gz YWRPJBVTLDWJDU-UHFFFAOYSA-N 1 1 400.544 3.086 50 10 HGCAMO CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)s1 ZINC000008801033 571120322 /nfs/dbraw/zinc/12/03/22/571120322.db2.gz OEWJHUJYGBVXRE-HXUWFJFHSA-N 1 1 419.616 3.418 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3C3CC3)CC2)cc1 ZINC000007255664 132323525 /nfs/dbraw/zinc/32/35/25/132323525.db2.gz NIBJLSSYJOVUCL-HSZRJFAPSA-N 1 1 411.571 3.415 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3C3CC3)CC2)cc1 ZINC000007255664 132323526 /nfs/dbraw/zinc/32/35/26/132323526.db2.gz NIBJLSSYJOVUCL-HSZRJFAPSA-N 1 1 411.571 3.415 50 10 HGCAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OCC)c2O)C[C@@H]1CCO ZINC000019740416 558261392 /nfs/dbraw/zinc/26/13/92/558261392.db2.gz JOKDJNFXYIZRRF-NRFANRHFSA-N 1 1 414.546 3.258 50 10 HGCAMO CCCn1ncc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1C ZINC000020322317 558355288 /nfs/dbraw/zinc/35/52/88/558355288.db2.gz HDRUEAVMUVVGGN-QHCPKHFHSA-N 1 1 411.594 3.397 50 10 HGCAMO CCCn1ncc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1C ZINC000020322317 558355289 /nfs/dbraw/zinc/35/52/89/558355289.db2.gz HDRUEAVMUVVGGN-QHCPKHFHSA-N 1 1 411.594 3.397 50 10 HGCAMO CC(C)CNc1cc(N2CC[NH+](CCO)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322224 568598853 /nfs/dbraw/zinc/59/88/53/568598853.db2.gz NYMLFHYFIHMTCA-UHFFFAOYSA-N 1 1 420.513 3.221 50 10 HGCAMO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(OCC)c2O)C[C@H]1CCO ZINC000104310314 569008211 /nfs/dbraw/zinc/00/82/11/569008211.db2.gz JOKDJNFXYIZRRF-OAQYLSRUSA-N 1 1 414.546 3.258 50 10 HGCAMO Cc1cccc(C[N@@H+]2CC=C(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000064818034 569101271 /nfs/dbraw/zinc/10/12/71/569101271.db2.gz ZSHIVPUUZZDNSS-UHFFFAOYSA-N 1 1 405.542 3.280 50 10 HGCAMO O=C(COCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000089832414 569266882 /nfs/dbraw/zinc/26/68/82/569266882.db2.gz UXMZJAUBAASMLA-HXUWFJFHSA-N 1 1 402.922 3.386 50 10 HGCAMO O=C(COCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000089832416 569266924 /nfs/dbraw/zinc/26/69/24/569266924.db2.gz UXMZJAUBAASMLA-FQEVSTJZSA-N 1 1 402.922 3.386 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3C3CC3)CC2)cc1 ZINC000007255663 132323529 /nfs/dbraw/zinc/32/35/29/132323529.db2.gz NIBJLSSYJOVUCL-QHCPKHFHSA-N 1 1 411.571 3.415 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3C3CC3)CC2)cc1 ZINC000007255663 132323530 /nfs/dbraw/zinc/32/35/30/132323530.db2.gz NIBJLSSYJOVUCL-QHCPKHFHSA-N 1 1 411.571 3.415 50 10 HGCAMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000019866696 558298895 /nfs/dbraw/zinc/29/88/95/558298895.db2.gz SGIJNRZPCWUKBV-SSZFMOIBSA-N 1 1 423.991 3.095 50 10 HGCAMO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)c1cccc2cccnc21 ZINC000012302234 558371770 /nfs/dbraw/zinc/37/17/70/558371770.db2.gz IZMNSMJCBJJSCO-KRWDZBQOSA-N 1 1 411.527 3.131 50 10 HGCAMO O=S(=O)(c1cccc(F)c1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000022310051 558477399 /nfs/dbraw/zinc/47/73/99/558477399.db2.gz NZUOLDKLXULYKD-UHFFFAOYSA-N 1 1 400.475 3.191 50 10 HGCAMO CN(C)c1ccc(C[N@H+](C)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=S)cc1 ZINC000025470788 558642077 /nfs/dbraw/zinc/64/20/77/558642077.db2.gz OSJBDGCNGGRYOF-UHFFFAOYSA-N 1 1 420.604 3.158 50 10 HGCAMO CN(C)c1ccc(C[N@@H+](C)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=S)cc1 ZINC000025470788 558642078 /nfs/dbraw/zinc/64/20/78/558642078.db2.gz OSJBDGCNGGRYOF-UHFFFAOYSA-N 1 1 420.604 3.158 50 10 HGCAMO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 ZINC000023115566 559012843 /nfs/dbraw/zinc/01/28/43/559012843.db2.gz YYCHQQVBPGQATK-KTBYTZPXSA-N 1 1 412.530 3.299 50 10 HGCAMO CN1CCCc2cc(CNC(=O)c3ccc(C[N@@H+](C)C4CCCCC4)[nH]c3=O)ccc21 ZINC000012456589 132360861 /nfs/dbraw/zinc/36/08/61/132360861.db2.gz KEUUNGKIBVZLIG-UHFFFAOYSA-N 1 1 422.573 3.452 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(OC)c(O)c4)C3)CC2)cc1 ZINC000020540514 524431277 /nfs/dbraw/zinc/43/12/77/524431277.db2.gz FAOOTGCMDDWOFG-OAQYLSRUSA-N 1 1 411.546 3.196 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(OC)c(O)c4)C3)CC2)cc1 ZINC000020540514 524431282 /nfs/dbraw/zinc/43/12/82/524431282.db2.gz FAOOTGCMDDWOFG-OAQYLSRUSA-N 1 1 411.546 3.196 50 10 HGCAMO COc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1O ZINC000020601089 525937968 /nfs/dbraw/zinc/93/79/68/525937968.db2.gz CLIYWGMDRAFQDF-HXUWFJFHSA-N 1 1 411.546 3.196 50 10 HGCAMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1 ZINC000022553969 558499285 /nfs/dbraw/zinc/49/92/85/558499285.db2.gz PNJLCIHVEUOYMM-SSZFMOIBSA-N 1 1 423.991 3.095 50 10 HGCAMO CCN(CC)c1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020918830 558423477 /nfs/dbraw/zinc/42/34/77/558423477.db2.gz WVMAHSHEPRCBDB-SFHVURJKSA-N 1 1 412.582 3.016 50 10 HGCAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(O)c1 ZINC000020992134 558426209 /nfs/dbraw/zinc/42/62/09/558426209.db2.gz CBUPTQRJUFOQDP-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(O)c1 ZINC000020992134 558426211 /nfs/dbraw/zinc/42/62/11/558426211.db2.gz CBUPTQRJUFOQDP-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(O)c1 ZINC000020992134 558426213 /nfs/dbraw/zinc/42/62/13/558426213.db2.gz CBUPTQRJUFOQDP-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(N2CC[NH+](CCNC(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000056997156 568822377 /nfs/dbraw/zinc/82/23/77/568822377.db2.gz WEJZPJADXYKLFE-UHFFFAOYSA-N 1 1 419.525 3.166 50 10 HGCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000056997170 568822430 /nfs/dbraw/zinc/82/24/30/568822430.db2.gz HBZDLPIXVQBHCQ-UHFFFAOYSA-N 1 1 407.436 3.266 50 10 HGCAMO COc1ccc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1Cn1cncn1 ZINC000019794592 558283994 /nfs/dbraw/zinc/28/39/94/558283994.db2.gz GGXYSMKXBGUHBI-QHCPKHFHSA-N 1 1 417.557 3.056 50 10 HGCAMO COc1ccc(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1Cn1cncn1 ZINC000019794592 558283997 /nfs/dbraw/zinc/28/39/97/558283997.db2.gz GGXYSMKXBGUHBI-QHCPKHFHSA-N 1 1 417.557 3.056 50 10 HGCAMO CCCCNc1cc(N2CC[NH+](CCO)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322215 568598969 /nfs/dbraw/zinc/59/89/69/568598969.db2.gz BTWVMANGFLKQPQ-UHFFFAOYSA-N 1 1 420.513 3.366 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)cc1 ZINC000020539970 524433371 /nfs/dbraw/zinc/43/33/71/524433371.db2.gz ODCQUVIOWBNQDP-IBGZPJMESA-N 1 1 407.649 3.130 50 10 HGCAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012184822 558344525 /nfs/dbraw/zinc/34/45/25/558344525.db2.gz FLMVCIGUARIARS-SFHVURJKSA-N 1 1 423.517 3.152 50 10 HGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020906534 558421153 /nfs/dbraw/zinc/42/11/53/558421153.db2.gz BFELIELXCCFTKN-HXUWFJFHSA-N 1 1 411.546 3.196 50 10 HGCAMO COc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CCc3cc(OC)c(OC)cc3C2)C1 ZINC000019228879 558853252 /nfs/dbraw/zinc/85/32/52/558853252.db2.gz TTXZETGYPVHLOM-IBGZPJMESA-N 1 1 412.530 3.441 50 10 HGCAMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cccc4ccccc43)CC2)cc1 ZINC000056997204 568822409 /nfs/dbraw/zinc/82/24/09/568822409.db2.gz BFCHDIAVZBOLDP-UHFFFAOYSA-N 1 1 403.526 3.329 50 10 HGCAMO C[NH+]1CCN(C(=O)CCCCCN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 ZINC000019901659 558305150 /nfs/dbraw/zinc/30/51/50/558305150.db2.gz MZTVWPWFESWGHU-FBMGVBCBSA-N 1 1 417.600 3.222 50 10 HGCAMO CN(C)c1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000040930133 522184372 /nfs/dbraw/zinc/18/43/72/522184372.db2.gz QEYUVFVZHIIEAV-UHFFFAOYSA-N 1 1 419.529 3.331 50 10 HGCAMO COc1ccc(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1Cn1cncn1 ZINC000019794591 558283894 /nfs/dbraw/zinc/28/38/94/558283894.db2.gz GGXYSMKXBGUHBI-HSZRJFAPSA-N 1 1 417.557 3.056 50 10 HGCAMO COc1ccc(CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1Cn1cncn1 ZINC000019794591 558283896 /nfs/dbraw/zinc/28/38/96/558283896.db2.gz GGXYSMKXBGUHBI-HSZRJFAPSA-N 1 1 417.557 3.056 50 10 HGCAMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000020157173 558342402 /nfs/dbraw/zinc/34/24/02/558342402.db2.gz CWVRWCQRCGLNNF-PYCFMQQDSA-N 1 1 422.504 3.163 50 10 HGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012315551 558378838 /nfs/dbraw/zinc/37/88/38/558378838.db2.gz FLYKXSININFVOM-QGZVFWFLSA-N 1 1 406.486 3.437 50 10 HGCAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4OC)CC3)C2)c(O)c1 ZINC000020599938 524028355 /nfs/dbraw/zinc/02/83/55/524028355.db2.gz WDGGTMDKIMEUFE-HXUWFJFHSA-N 1 1 411.546 3.196 50 10 HGCAMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000019920939 558307102 /nfs/dbraw/zinc/30/71/02/558307102.db2.gz IOFXHVOUKVMSKF-QOCHGBHMSA-N 1 1 404.514 3.023 50 10 HGCAMO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCN(CC(=O)NC3CC3)CC2)cc1 ZINC000022812429 558514383 /nfs/dbraw/zinc/51/43/83/558514383.db2.gz XVKXEZZMTBYZRI-UHFFFAOYSA-N 1 1 406.574 3.109 50 10 HGCAMO Cc1ccccc1C[N@@H+]1CCCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000059384427 558935033 /nfs/dbraw/zinc/93/50/33/558935033.db2.gz GMTDIMXYDMWHQJ-UHFFFAOYSA-N 1 1 408.590 3.227 50 10 HGCAMO CN1CCc2cc([C@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCCC3)ccc21 ZINC000008801555 571120803 /nfs/dbraw/zinc/12/08/03/571120803.db2.gz ZRRDNXMXRUVYTQ-IBGZPJMESA-N 1 1 405.589 3.246 50 10 HGCAMO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 ZINC000008160541 132328040 /nfs/dbraw/zinc/32/80/40/132328040.db2.gz VXQSVIOFOKVKNT-UHFFFAOYSA-N 1 1 419.529 3.088 50 10 HGCAMO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)n(-c2ccccc2)n1 ZINC000008160541 132328042 /nfs/dbraw/zinc/32/80/42/132328042.db2.gz VXQSVIOFOKVKNT-UHFFFAOYSA-N 1 1 419.529 3.088 50 10 HGCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(CC(C)C)[nH]n4)C3)CC2)cc1 ZINC000020999390 558427844 /nfs/dbraw/zinc/42/78/44/558427844.db2.gz MBMQWKHRUPGWKQ-HSZRJFAPSA-N 1 1 411.594 3.403 50 10 HGCAMO O=S(=O)(c1c(F)cccc1F)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000022310429 558477499 /nfs/dbraw/zinc/47/74/99/558477499.db2.gz PLJQDTKWUCMTRX-UHFFFAOYSA-N 1 1 418.465 3.330 50 10 HGCAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)s1 ZINC000008801042 571120696 /nfs/dbraw/zinc/12/06/96/571120696.db2.gz OEXXJUDNTALDAO-IBGZPJMESA-N 1 1 405.589 3.164 50 10 HGCAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000686239 132230873 /nfs/dbraw/zinc/23/08/73/132230873.db2.gz RCHXNCJKGLEYDJ-CPNJWEJPSA-N 1 1 402.479 3.320 50 10 HGCAMO CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CC[NH+](C)CC3)C2=O)cc1 ZINC000020265498 558352432 /nfs/dbraw/zinc/35/24/32/558352432.db2.gz OHKYYKQWKUKHSP-SDXDJHTJSA-N 1 1 417.600 3.004 50 10 HGCAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000023157174 558539947 /nfs/dbraw/zinc/53/99/47/558539947.db2.gz ODYHMIZJXORHQF-NRFANRHFSA-N 1 1 416.477 3.364 50 10 HGCAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000023157174 558539949 /nfs/dbraw/zinc/53/99/49/558539949.db2.gz ODYHMIZJXORHQF-NRFANRHFSA-N 1 1 416.477 3.364 50 10 HGCAMO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 ZINC000023115567 559012924 /nfs/dbraw/zinc/01/29/24/559012924.db2.gz YYCHQQVBPGQATK-FNEOHHHZSA-N 1 1 412.530 3.299 50 10 HGCAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000012543682 132362634 /nfs/dbraw/zinc/36/26/34/132362634.db2.gz NNOXTTMYZQDEAX-UHFFFAOYSA-N 1 1 408.546 3.194 50 10 HGCAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000012543682 132362636 /nfs/dbraw/zinc/36/26/36/132362636.db2.gz NNOXTTMYZQDEAX-UHFFFAOYSA-N 1 1 408.546 3.194 50 10 HGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020906536 558421057 /nfs/dbraw/zinc/42/10/57/558421057.db2.gz BFELIELXCCFTKN-FQEVSTJZSA-N 1 1 411.546 3.196 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000022914507 558521116 /nfs/dbraw/zinc/52/11/16/558521116.db2.gz IJIFAXXQYQJBAN-OAQYLSRUSA-N 1 1 409.530 3.211 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc5c4OCO5)C3)CC2)cc1 ZINC000022914507 558521118 /nfs/dbraw/zinc/52/11/18/558521118.db2.gz IJIFAXXQYQJBAN-OAQYLSRUSA-N 1 1 409.530 3.211 50 10 HGCAMO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCC2)s1 ZINC000008801032 571120468 /nfs/dbraw/zinc/12/04/68/571120468.db2.gz OEWJHUJYGBVXRE-FQEVSTJZSA-N 1 1 419.616 3.418 50 10 HGCAMO O=C1/C(=C\N2CC[NH+](CCc3ccccn3)CC2)SC(=S)N1c1ccccc1 ZINC000032060021 526944423 /nfs/dbraw/zinc/94/44/23/526944423.db2.gz RUNLKAINUYXJKQ-KNTRCKAVSA-N 1 1 410.568 3.148 50 10 HGCAMO COCCCN1C(=O)/C(=C/N2CC[NH+](C/C=C/c3ccccc3)CC2)SC1=S ZINC000030819366 558738879 /nfs/dbraw/zinc/73/88/79/558738879.db2.gz JBUZLQIYUXZBID-NPNYDMKJSA-N 1 1 417.600 3.056 50 10 HGCAMO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(N4CCN(C)CC4)cc3)CC2)cc1 ZINC000067622596 558989903 /nfs/dbraw/zinc/98/99/03/558989903.db2.gz AFVABUCOQRFMHY-UHFFFAOYSA-N 1 1 420.601 3.275 50 10 HGCAMO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCC3)ccc21 ZINC000008799001 571120509 /nfs/dbraw/zinc/12/05/09/571120509.db2.gz SCDGTQCCSRATMP-LJQANCHMSA-N 1 1 405.589 3.246 50 10 HGCAMO CCN(CC)c1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000020918822 558423402 /nfs/dbraw/zinc/42/34/02/558423402.db2.gz WVMAHSHEPRCBDB-GOSISDBHSA-N 1 1 412.582 3.016 50 10 HGCAMO O=C([C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1O)N1CCOCC1 ZINC000014976392 558689465 /nfs/dbraw/zinc/68/94/65/558689465.db2.gz CJDWLDBEOIFGPX-UXHICEINSA-N 1 1 416.518 3.125 50 10 HGCAMO COC(=O)c1cc2ccccc2c(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000029539805 558716584 /nfs/dbraw/zinc/71/65/84/558716584.db2.gz DGIVGGJBMDBSMG-IBGZPJMESA-N 1 1 423.465 3.398 50 10 HGCAMO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000067614146 558989276 /nfs/dbraw/zinc/98/92/76/558989276.db2.gz VSMBVUHGNYUKOW-UHFFFAOYSA-N 1 1 420.601 3.275 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(OC)c(O)c4)C3)CC2)cc1 ZINC000020540516 524433696 /nfs/dbraw/zinc/43/36/96/524433696.db2.gz FAOOTGCMDDWOFG-NRFANRHFSA-N 1 1 411.546 3.196 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(OC)c(O)c4)C3)CC2)cc1 ZINC000020540516 524433705 /nfs/dbraw/zinc/43/37/05/524433705.db2.gz FAOOTGCMDDWOFG-NRFANRHFSA-N 1 1 411.546 3.196 50 10 HGCAMO CCCn1ncc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1C ZINC000020322310 558355276 /nfs/dbraw/zinc/35/52/76/558355276.db2.gz HDRUEAVMUVVGGN-HSZRJFAPSA-N 1 1 411.594 3.397 50 10 HGCAMO CCCn1ncc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1C ZINC000020322310 558355278 /nfs/dbraw/zinc/35/52/78/558355278.db2.gz HDRUEAVMUVVGGN-HSZRJFAPSA-N 1 1 411.594 3.397 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C4CSCCSC4)C3)CC2)cc1 ZINC000020539968 524431464 /nfs/dbraw/zinc/43/14/64/524431464.db2.gz ODCQUVIOWBNQDP-LJQANCHMSA-N 1 1 407.649 3.130 50 10 HGCAMO COc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c1O ZINC000020601090 525937573 /nfs/dbraw/zinc/93/75/73/525937573.db2.gz CLIYWGMDRAFQDF-FQEVSTJZSA-N 1 1 411.546 3.196 50 10 HGCAMO Cc1cc(C)c(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000013097977 558513911 /nfs/dbraw/zinc/51/39/11/558513911.db2.gz YTNPTQGMTXXHPN-UHFFFAOYSA-N 1 1 414.571 3.394 50 10 HGCAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000023157171 558539995 /nfs/dbraw/zinc/53/99/95/558539995.db2.gz ODYHMIZJXORHQF-OAQYLSRUSA-N 1 1 416.477 3.364 50 10 HGCAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000023157171 558539998 /nfs/dbraw/zinc/53/99/98/558539998.db2.gz ODYHMIZJXORHQF-OAQYLSRUSA-N 1 1 416.477 3.364 50 10 HGCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012315552 558378789 /nfs/dbraw/zinc/37/87/89/558378789.db2.gz FLYKXSININFVOM-KRWDZBQOSA-N 1 1 406.486 3.437 50 10 HGCAMO O=S(=O)(c1ccc(F)cc1F)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000025065842 558630087 /nfs/dbraw/zinc/63/00/87/558630087.db2.gz JHYFNVUUIREUIC-UHFFFAOYSA-N 1 1 418.465 3.330 50 10 HGCAMO COc1ccc(N2CC[N@@H+](CCc3cc(OC)c(OC)c(OC)c3)C[C@H]2C)cc1 ZINC000055112107 558873038 /nfs/dbraw/zinc/87/30/38/558873038.db2.gz OVOLWPCBVFFBNB-QGZVFWFLSA-N 1 1 400.519 3.474 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000096410087 559110184 /nfs/dbraw/zinc/11/01/84/559110184.db2.gz WMEHIIXJQOAAJL-QFIPXVFZSA-N 1 1 423.557 3.253 50 10 HGCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000096410087 559110186 /nfs/dbraw/zinc/11/01/86/559110186.db2.gz WMEHIIXJQOAAJL-QFIPXVFZSA-N 1 1 423.557 3.253 50 10 HGCAMO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1 ZINC000104415178 569008660 /nfs/dbraw/zinc/00/86/60/569008660.db2.gz UTAKFJUJBDAJBM-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(O)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1 ZINC000104415178 569008661 /nfs/dbraw/zinc/00/86/61/569008661.db2.gz UTAKFJUJBDAJBM-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(O)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1 ZINC000104415178 569008662 /nfs/dbraw/zinc/00/86/62/569008662.db2.gz UTAKFJUJBDAJBM-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO CC[NH+]1CCN(c2cc(NCCOC)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006738023 132314356 /nfs/dbraw/zinc/31/43/56/132314356.db2.gz FNYNHQBBEKDOLI-UHFFFAOYSA-N 1 1 406.486 3.239 50 10 HGCAMO COc1ccc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)c(O)c1 ZINC000020599939 524029267 /nfs/dbraw/zinc/02/92/67/524029267.db2.gz WDGGTMDKIMEUFE-FQEVSTJZSA-N 1 1 411.546 3.196 50 10 HGCAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012184819 558344536 /nfs/dbraw/zinc/34/45/36/558344536.db2.gz FLMVCIGUARIARS-GOSISDBHSA-N 1 1 423.517 3.152 50 10 HGCAMO COc1ccc(CN2CC[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2CCO)c(F)c1 ZINC000020254905 558351880 /nfs/dbraw/zinc/35/18/80/558351880.db2.gz DGHNKBDGXNGBKW-SFHVURJKSA-N 1 1 408.901 3.262 50 10 HGCAMO COc1ccc(CN2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2CCO)c(F)c1 ZINC000020254905 558351881 /nfs/dbraw/zinc/35/18/81/558351881.db2.gz DGHNKBDGXNGBKW-SFHVURJKSA-N 1 1 408.901 3.262 50 10 HGCAMO CCOc1cccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O ZINC000023374108 558554179 /nfs/dbraw/zinc/55/41/79/558554179.db2.gz NLZOUYGLYYCKLF-SFHVURJKSA-N 1 1 406.473 3.138 50 10 HGCAMO C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccccc21 ZINC000003307602 132264380 /nfs/dbraw/zinc/26/43/80/132264380.db2.gz DXKUZRNURNZDIK-UHFFFAOYSA-N 1 1 405.498 3.453 50 10 HGCAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(OC)c3O)C[C@@H]2CCO)c(C)c1C ZINC000020775895 558412184 /nfs/dbraw/zinc/41/21/84/558412184.db2.gz USOKSXGYKNYDKF-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(C[N@@H+]2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)c(C)c1C ZINC000020775895 558412185 /nfs/dbraw/zinc/41/21/85/558412185.db2.gz USOKSXGYKNYDKF-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(C[N@H+]2CCN(Cc3cccc(OC)c3O)C[C@@H]2CCO)c(C)c1C ZINC000020775895 558412187 /nfs/dbraw/zinc/41/21/87/558412187.db2.gz USOKSXGYKNYDKF-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO CCOc1cccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1O ZINC000039543400 558822115 /nfs/dbraw/zinc/82/21/15/558822115.db2.gz NLZOUYGLYYCKLF-GOSISDBHSA-N 1 1 406.473 3.138 50 10 HGCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC000056997796 568822989 /nfs/dbraw/zinc/82/29/89/568822989.db2.gz VIMQIQDYOCSWDQ-UHFFFAOYSA-N 1 1 418.925 3.301 50 10 HGCAMO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)c1cccc2cccnc21 ZINC000012302236 558372094 /nfs/dbraw/zinc/37/20/94/558372094.db2.gz IZMNSMJCBJJSCO-QGZVFWFLSA-N 1 1 411.527 3.131 50 10 HGCAMO COc1cccc(C[NH+]2CCN(C(O)(c3ccccc3)c3ccccc3)CC2)c1O ZINC000019361815 558876636 /nfs/dbraw/zinc/87/66/36/558876636.db2.gz HCHWFPKMZZZOPE-UHFFFAOYSA-N 1 1 404.510 3.412 50 10 HGCAMO CN(C)c1ccc([C@@H](CNC(=O)C2CC2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022665622 557715028 /nfs/dbraw/zinc/71/50/28/557715028.db2.gz OHIDGIRTJFGCLX-HSZRJFAPSA-N 1 1 410.537 3.281 50 10 HGCAMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023214724 558542831 /nfs/dbraw/zinc/54/28/31/558542831.db2.gz QKHKHAIJTHOEGF-HSZRJFAPSA-N 1 1 423.557 3.268 50 10 HGCAMO COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000023214724 558542834 /nfs/dbraw/zinc/54/28/34/558542834.db2.gz QKHKHAIJTHOEGF-HSZRJFAPSA-N 1 1 423.557 3.268 50 10 HGCAMO CN1CCN(c2ccc(CNC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000067629493 558990234 /nfs/dbraw/zinc/99/02/34/558990234.db2.gz LZUXSANJQBNTHT-UHFFFAOYSA-N 1 1 406.574 3.354 50 10 HGCAMO CCOC(=O)C1C(C[N@H+](C)Cc2ccc(N(C)C)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270707 568825401 /nfs/dbraw/zinc/82/54/01/568825401.db2.gz ONVOVSIOPMECIP-JOCHJYFZSA-N 1 1 422.529 3.056 50 10 HGCAMO CCOC(=O)C1C(C[N@@H+](C)Cc2ccc(N(C)C)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057270707 568825402 /nfs/dbraw/zinc/82/54/02/568825402.db2.gz ONVOVSIOPMECIP-JOCHJYFZSA-N 1 1 422.529 3.056 50 10 HGCAMO COc1ccc(CN2CC[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CCO)c(F)c1 ZINC000104493494 569008886 /nfs/dbraw/zinc/00/88/86/569008886.db2.gz DGHNKBDGXNGBKW-GOSISDBHSA-N 1 1 408.901 3.262 50 10 HGCAMO COc1ccc(CN2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2CCO)c(F)c1 ZINC000104493494 569008887 /nfs/dbraw/zinc/00/88/87/569008887.db2.gz DGHNKBDGXNGBKW-GOSISDBHSA-N 1 1 408.901 3.262 50 10 HGCAMO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000022989684 558529239 /nfs/dbraw/zinc/52/92/39/558529239.db2.gz FDEYTFGDASRZKM-UHFFFAOYSA-N 1 1 400.475 3.191 50 10 HGCAMO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1 ZINC000091587528 559072338 /nfs/dbraw/zinc/07/23/38/559072338.db2.gz UTAKFJUJBDAJBM-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(O)c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1 ZINC000091587528 559072339 /nfs/dbraw/zinc/07/23/39/559072339.db2.gz UTAKFJUJBDAJBM-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(O)c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c1 ZINC000091587528 559072340 /nfs/dbraw/zinc/07/23/40/559072340.db2.gz UTAKFJUJBDAJBM-NRFANRHFSA-N 1 1 414.546 3.095 50 10 HGCAMO COCCCN1C(=O)/C(=C\N2CC[NH+](C/C=C/c3ccccc3)CC2)SC1=S ZINC000020649390 568639206 /nfs/dbraw/zinc/63/92/06/568639206.db2.gz JBUZLQIYUXZBID-LQSPEFTHSA-N 1 1 417.600 3.056 50 10 HGCAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000686253 132230881 /nfs/dbraw/zinc/23/08/81/132230881.db2.gz BOSYWJXAZOVJPK-SFQUDFHCSA-N 1 1 420.469 3.460 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C[N@H+](C)CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000005688261 536680938 /nfs/dbraw/zinc/68/09/38/536680938.db2.gz LDCGEVODKGIZIE-UHFFFAOYSA-N 1 1 417.937 3.008 50 10 HGCAMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000005688261 536680940 /nfs/dbraw/zinc/68/09/40/536680940.db2.gz LDCGEVODKGIZIE-UHFFFAOYSA-N 1 1 417.937 3.008 50 10 HGCAMO C[NH+]1CCN(C(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000020266241 558352881 /nfs/dbraw/zinc/35/28/81/558352881.db2.gz RCDDWINHHBIPEZ-JQIJEIRASA-N 1 1 423.629 3.284 50 10 HGCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(CC(C)C)[nH]n4)C3)CC2)cc1 ZINC000020999391 558427816 /nfs/dbraw/zinc/42/78/16/558427816.db2.gz MBMQWKHRUPGWKQ-QHCPKHFHSA-N 1 1 411.594 3.403 50 10 HGCAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(O)c1 ZINC000105607972 569009221 /nfs/dbraw/zinc/00/92/21/569009221.db2.gz CBUPTQRJUFOQDP-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO COc1ccc(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(O)c1 ZINC000105607972 569009222 /nfs/dbraw/zinc/00/92/22/569009222.db2.gz CBUPTQRJUFOQDP-OAQYLSRUSA-N 1 1 414.546 3.095 50 10 HGCAMO CCOC(=O)N1CC[NH+](Cc2cc(-c3cc(OC)ccc3OC)ccc2O)CC1 ZINC000014994319 558695528 /nfs/dbraw/zinc/69/55/28/558695528.db2.gz OGPKHXZXHMNMSM-UHFFFAOYSA-N 1 1 400.475 3.351 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000096410086 559110232 /nfs/dbraw/zinc/11/02/32/559110232.db2.gz WMEHIIXJQOAAJL-JOCHJYFZSA-N 1 1 423.557 3.253 50 10 HGCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000096410086 559110233 /nfs/dbraw/zinc/11/02/33/559110233.db2.gz WMEHIIXJQOAAJL-JOCHJYFZSA-N 1 1 423.557 3.253 50 10 HGCAMO Cc1c(O)c(C[NH2+]CCN2CCOCC2)cc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000020573480 525877651 /nfs/dbraw/zinc/87/76/51/525877651.db2.gz NQWQCVAKAXXQIE-UHFFFAOYSA-N 1 1 422.525 3.128 50 10 HGCAMO CN1CCc2cc([C@@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCCC3)ccc21 ZINC000008801554 571120771 /nfs/dbraw/zinc/12/07/71/571120771.db2.gz ZRRDNXMXRUVYTQ-LJQANCHMSA-N 1 1 405.589 3.246 50 10 HGCAMO