Microstates

Showing 2001 through 2100 of 7698
Rank Microstate SMILES ΔG / kcal M-1
2001 EN300-97661_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc[nH]c(=O)c5 −10.1 ± 0.2
2002 MIC-UNK-cdc2493e-4_3 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4C[C@@H]5CCC[C@H]5C4 −10.1 ± 0.3
2003 EN300-72211_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5CC5)O −10.1 ± 0.3
2004 EN300-1702864_2_1_1 molecule CS(=O)(=O)C[C@@H]1C[C@@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −10.1 ± 0.3
2005 EN300-177118_3_2_1 molecule C[C@]1(CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2006 EN300-295905_1_1_1 molecule C[C@@H]1CN(C[C@@H](O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2007 EN300-1968342_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O −10.1 ± 0.3
2008 EN300-1968342_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H](CF)O −10.1 ± 0.3
2009 EN300-7003350_3_1_1 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2010 EN300-7003350_3_1_1 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2011 EN300-7003350_3_1_1 molecule CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2012 EN300-171766_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5n[nH]c(=O)s5 −10.1 ± 0.4
2013 EN300-6736413_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −10.1 ± 0.2
2014 EN300-6736413_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCNC5=O −10.1 ± 0.2
2015 EN300-109540_1_1_1 molecule C[C@@H](c1cn(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
2016 VLA-UNK-cf7facf1-1_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.1 ± 0.2
2017 EN300-1601684_3_2_1 molecule CC1([C@H](OCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −10.1 ± 0.3
2018 PET-UNK-29afea89-1_1_1 molecule C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.1
2019 EN300-7436306_1_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5[C@H]6COC[C@H]6ON5 −10.1 ± 0.2
2020 EN300-266736_2_1_1 molecule Cc1c(nc[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2021 EN300-30397_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.1 ± 0.3
2022 EN300-30397_3_1_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.1 ± 0.3
2023 EN300-23214_3_1_1 molecule CCCNC(=O)[C@@H](C)NC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.5
2024 EN300-18569_3_2_1 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.1 ± 0.3
2025 EDG-MED-90036822-60_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5ccnc5 −10.1 ± 0.2
2026 EN300-297927_1_1_1 molecule CC(C)(C)n1nc(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2027 EN300-299390_2_1_2 molecule COC[C@@H]1[NH2+][NH2+][C@H](N1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.7
2028 EN300-31969_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N(C5)CC6CC6 −10.1 ± 0.3
2029 DAR-DIA-9e4459de-11_3 molecule c1cc2c(c(c1)NCOCCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@@H]7CCC(=O)NC7=O)O −10.1 ± 0.4
2030 EN300-51257_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.1 ± 0.2
2031 EN300-202757_3_2_1 molecule C[C@H](CC(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2032 EN300-395654_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C6(C5)COC6)CO −10.1 ± 0.3
2033 EN300-248526_3_1_1 molecule c1ccc(cc1)[C@@](COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −10.1 ± 0.4
2034 EN300-188356_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCOC5)F −10.1 ± 0.3
2035 EN300-47500_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCn5cccn5 −10.1 ± 0.3
2036 ED_-GRI-5b13fbe2-31_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[N@@H+]5CCNC(=O)C5 −10.1 ± 0.4
2037 EN300-19700_3_1_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2038 EN300-19700_3_1_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2039 EN300-19700_3_1_1 molecule COC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2040 EN300-1724086_1_4_1 molecule C[C@H]1C[C@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −10.1 ± 0.3
2041 EN300-211403_1_1_1 molecule CN(C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C5(CC5)CO −10.1 ± 0.3
2042 EN300-12587_3_2_1 molecule CC(=O)N1CCC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2043 RAL-THA-1d44ff04-2_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OCc4[nH]ncn4 −10.1 ± 0.3
2044 EN300-863933_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C(=O)C −10.1 ± 0.3
2045 EN300-249421_1_1_1 molecule C[C@@H]([C@@H]1CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2046 EN300-124052_1_3_1 molecule C[C@@H]1CN(C[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2047 EN300-143449_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCN(=O)=O −10.1 ± 0.3
2048 EN300-310022_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H](CN5c6ccncn6)O −10.1 ± 0.4
2049 EN300-203293_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CNC(=O)O5 −10.1 ± 0.3
2050 MIC-UNK-08fa0751-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C(CO)(F)F)Cl −10.1 ± 0.2
2051 EN300-6729572_3_2_1 molecule C[C@H]([C@@H]1C[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
2052 EDJ-MED-28ec730d-2_1_1 molecule COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.2
2053 EN300-30768_3_4_1 molecule C[C@H]1C[C@H]1C(=O)NCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2054 EDG-MED-90036822-95_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CC[NH2+]CC5)F −10.1 ± 0.3
2055 EN300-30397_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.1 ± 0.3
2056 EN300-30397_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.1 ± 0.3
2057 EN300-11934_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC5=O −10.1 ± 0.3
2058 EDG-MED-ba1ac7b9-28_3 molecule C[N@@H+](CCO)C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.7
2059 CHO-MSK-a31cca77-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnco5 −10.1 ± 0.2
2060 MIC-UNK-cdc2493e-8_1 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@@H]4CC[C@@H]5CCCC[C@@H]5C4 −10.1 ± 0.4
2061 EN300-173562_1_4_1 molecule C[C@H]1C[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.1 ± 0.3
2062 EN300-305282_3_2_1 molecule COC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.1 ± 0.4
2063 EN300-82616_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCNC5=O −10.1 ± 0.2
2064 EN300-31146_3_1_1 molecule CN(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)C5CC5 −10.1 ± 0.4
2065 MIC-UNK-16ccb665-2_1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)SC(F)F −10.1 ± 0.3
2066 ALP-UNI-76695c4f-4_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6CS(=O)(=O)C[C@H]6C5 −10.1 ± 0.4
2067 EN300-48861_1_1_1 molecule CNC(=O)C[n+]1cc(c[nH]1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2068 EN300-133058_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc6c(n5)n[nH]n6 −10.1 ± 0.3
2069 EDJ-MED-fcba3f31-11_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C[C@@H](CO5)CO −10.1 ± 0.3
2070 VLA-UCB-34f3ed0c-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)CCc5ccn[nH]5 −10.1 ± 0.3
2071 EN300-1723663_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCN(C(=O)C5)CCO −10.1 ± 0.3
2072 EN300-7538678_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)n6c5COCC6 −10.1 ± 0.3
2073 EN300-318344_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncco5 −10.1 ± 0.2
2074 EN300-318344_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncco5 −10.1 ± 0.2
2075 EN300-1265949_3_2_1 molecule C[C@H](C(=O)N1CCS(=O)(=O)CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2076 EN300-12247_3_1_1 molecule CC(C)(C)C(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2077 EN300-1915260_3_1_1 molecule COC[C@@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.1 ± 0.4
2078 EN300-207873_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CC5)O −10.1 ± 0.3
2079 EN300-19542_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.1 ± 0.2
2080 EN300-6493060_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6[C@@H]([C@@H]5CO6)O −10.1 ± 0.3
2081 EN300-6498856_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC[C@H]5C(=O)NC(=O)N5 −10.1 ± 0.3
2082 MIC-UNK-cdc2493e-8_7 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)[C@@H]4CC[C@H]5CCCC[C@H]5C4 −10.1 ± 0.4
2083 EN300-315792_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)COCC(F)F −10.1 ± 0.3
2084 ALP-UNI-dbbfd3db-6_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H](O5)C(=O)N6CCCC6 −10.1 ± 0.3
2085 EN300-10729_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCNC(=O)N −10.1 ± 0.3
2086 EN300-226314_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5CCS(=O)(=O)C5 −10.1 ± 0.3
2087 EN300-706065_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5(CCOCC5)O)(F)F −10.1 ± 0.3
2088 ALF-EVA-0b412456-1_1 molecule c1cc2cncc(c2cc1Cl)NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 −10.1 ± 0.3
2089 EN300-263153_4_1_1 molecule Cn1cc(nn1)C(=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2090 EN300-315854_1_2_1 molecule C[C@]1(CCNC(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2091 ED_-GRI-5b13fbe2-41_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](C[NH3+])F −10.1 ± 0.4
2092 EN300-6742996_1_1_1 molecule COC[C@@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.3
2093 EN300-47657_1_2_1 molecule C[C@H](C(=O)N(C)C)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.1 ± 0.3
2094 EN300-47606_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@H]5CCS(=O)(=O)C5 −10.1 ± 0.4
2095 EN300-18569_1_2_1 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.1 ± 0.2
2096 EN300-383906_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)N5CCCC5 −10.1 ± 0.3
2097 EN300-138787_1_1_1 molecule COC(=O)C1(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.1 ± 0.2
2098 EN300-7464289_1_2_1 molecule C[C@](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(=O)OC)F −10.1 ± 0.2
2099 EN300-135310_1_1_1 molecule Cc1nc(on1)Cn2cc(cn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.1 ± 0.3
2100 EN300-103219_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N5 −10.1 ± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty