Microstates

Showing 5901 through 6000 of 7698
Rank Microstate SMILES ΔG / kcal M-1
5901 EN300-121144_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccccc5C(=O)N −7.9 ± 0.4
5902 NAU-LAT-0543f7f2-9_1 molecule CC(=O)NCCOc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −7.9 ± 0.4
5903 EDG-MED-ba1ac7b9-15_1 molecule C[C@@H]1C[N@@H+](CCN1C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −7.9 ± 0.3
5904 VLA-UNK-f702bf1c-4_2 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)C[C@H]6CC(=O)NC6 −7.9 ± 0.3
5905 ALP-POS-e0fe77e5-10_1 molecule c1ccc2c(c1)cncc2N3CCC[C@@]4(C3=O)CCNc5c4cc(c(c5)Cl)Cl −7.9 ± 0.3
5906 LEE-CAM-7ab9b158-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CN6C[C@H](O5)CCC6=O −7.9 ± 0.4
5907 EN300-120920_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@@H]5CCC(=O)NC5=O −7.9 ± 0.2
5908 EDJ-MED-e4b030d8-9_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3nc(cc4)Cl −7.9 ± 0.2
5909 EN300-39504_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCS(=O)(=O)N −7.9 ± 0.5
5910 VLA-UCB-05e51b3f-11_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl −7.9 ± 0.5
5911 MAK-UNK-c749d764-29_6 molecule c1ccc2c(c1)cncc2N(C(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F)C(=O)ON −7.9 ± 0.3
5912 EN300-152337_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC(=O)NCC5 −7.9 ± 0.3
5913 JOH-SUS-a69c159d-7_2 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.9 ± 0.3
5914 EN300-6504498_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)n6cncn6 −7.9 ± 0.4
5915 EN300-209068_1_1_1 molecule C[C@H](CN(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.9 ± 0.3
5916 EN300-209068_1_1_1 molecule C[C@H](CN(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.9 ± 0.3
5917 NAU-LAT-2fed8305-4_1 molecule c1ccc2c(c1)cncc2NC(=O)C[N@@H+]3CCC=C(C3)F −7.9 ± 0.3
5918 KAD-UNI-8a629cb0-33_1 molecule CC[C@H](C[NH+]1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.9 ± 0.5
5919 EN300-1073391_1_1_1 molecule C[NH+]1CC(C1)N(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
5920 EN300-7355477_1_6_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]([C@H](C[C@@H]6C5)O)O −7.9 ± 0.3
5921 ED_-GRI-5b13fbe2-47_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](C(=O)[O-])F −7.9 ± 0.3
5922 RAL-THA-8416115c-4_4 molecule CCCN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
5923 MIC-UNK-5a93dd5f-9_3 molecule CN(C)[C@@H]1CC[N@H+](C1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.4
5924 VLA-UCB-05e51b3f-11_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4O[C@@H]5CC(=O)N5)Cl −7.9 ± 0.5
5925 EN300-13668_1_1_1 molecule CN(CC(=O)NC1CC1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
5926 EDJ-MED-12c115cc-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl −7.9 ± 0.2
5927 EN300-11835_1_2_1 molecule CC(C)C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C −7.9 ± 0.5
5928 EN300-1296824_3_1_1 molecule C[C@@](CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(COC)O −7.9 ± 0.4
5929 EN300-100689_3_1_1 molecule CC(=O)N1CCO[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
5930 EN300-307658_2_1_1 molecule C=C[C@H](CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.3
5931 EN300-67050_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)CC5 −7.9 ± 0.3
5932 MAK-UNK-c749d764-8_2 molecule c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F −7.9 ± 0.3
5933 EN300-7456801_1_1_4 molecule CC1=N[N@]([C@@H](C1)C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −7.9 ± 0.4
5934 EN300-7456801_1_1_3 molecule CC1=N[N@@]([C@H](C1)C(=O)NCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −7.9 ± 0.3
5935 MAK-UNK-c749d764-12_5 molecule c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@H]3O)Cl −7.9 ± 0.5
5936 ALP-POS-966f8da6-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 −7.9 ± 0.3
5937 EN300-7435581_2_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5[C@H]6COC[C@H]6ON5 −7.9 ± 0.3
5938 MIC-UNK-5a93dd5f-1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCC[C@@H]5C4 −7.9 ± 0.4
5939 EN300-42819_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)NC5 −7.9 ± 0.2
5940 EN300-07752_1_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](C[C@H]5C(=O)N)O −7.9 ± 0.3
5941 EN300-82616_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCNC5=O −7.9 ± 0.3
5942 MAK-UNK-3875bbc8-2_2 molecule CN(c1cncc2c1cccc2)C(=O)[C@H]3CCOc4c3cc(cc4)Cl −7.9 ± 0.2
5943 EN300-24653_1_1_1 molecule CNC(=O)C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
5944 EN300-24653_1_1_1 molecule CNC(=O)C1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3
5945 EDG-MED-ba1ac7b9-21_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5Cn6ccnc6 −7.9 ± 0.3
5946 EN300-157541_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCS(=O)(=O)C[C@@H]5CO −7.9 ± 0.3
5947 EN300-300020_3_1_1 molecule C[N@]1CCS(=O)(=O)C[C@@H]1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.8
5948 RAL-THA-05e671eb-9_1 molecule Cc1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cncc4c3cccc4 −7.86 ± 0.09
5949 EN300-1722713_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CC(=O)NC6 −7.9 ± 0.3
5950 EDG-MED-4c68219f-14_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@H]5C[C@H]([NH2+]C5)CO −7.9 ± 0.4
5951 PET-UNK-c5865d42-1_2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C[C@H]4CC[NH2+]4 −7.9 ± 0.4
5952 JOH-UNI-a38a7bdd-6_2 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)[C@H]4C[C@@H]4C(F)(F)F −7.9 ± 0.4
5953 EN300-220194_2_4_1 molecule C[C@H]([C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −7.9 ± 0.3
5954 EN300-861925_4_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H](CO)F −7.9 ± 0.4
5955 EN300-7432022_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56CC[N@](C5)S(=O)(=O)C6 −7.8 ± 0.3
5956 EN300-302290_2_1_1 molecule CS(=O)(=O)N1CC(C1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.4
5957 EN300-6974806_2_1_1 molecule C[C@H]([C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −7.8 ± 0.2
5958 EN300-248374_2_1_1 molecule CCO[C@@H]1COC[C@H]1NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
5959 MAK-UNK-c749d764-4_5 molecule CS[C@@H]1CCC[C@@H]([C@H]1O)CC(=O)Nc2cncc3c2cccc3 −7.8 ± 0.3
5960 EN300-6486855_2_1_1 molecule Cn1c(cnn1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
5961 RAL-THA-05e671eb-19_1 molecule COc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.8 ± 0.2
5962 EN300-181558_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC5(CCC(CC5)O)O −7.8 ± 0.4
5963 VLA-UCB-05e51b3f-16_1 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −7.8 ± 0.5
5964 EN300-1932013_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](CC(F)(F)F)O −7.8 ± 0.4
5965 EN300-219496_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCC[N@@+]6(C5)NS6(=O)=O −7.8 ± 0.5
5966 BEN-DND-a7517465-6_1 molecule COc1cccc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −7.84 ± 0.08
5967 EN300-260418_3_1_3 molecule C[N@@H+]1[C@@H](N[C@H]([NH2+]1)C2CC2)CC(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.8 ± 0.8
5968 EN300-261596_2_1_1 molecule C=CCn1cc(nn1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
5969 MAT-POS-fce787c2-10_1 molecule CN(C)CC[NH2+][C@@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −7.8 ± 0.5
5970 EN300-160498_1_1_1 molecule COc1c([nH]c(=O)[nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
5971 EN300-299215_2_1_1 molecule C[C@H]1[C@H](OCCO1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.3
5972 MIC-UNK-5a93dd5f-12_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)[N@]4CC[C@H](C4)[NH+]5CCCCC5 −7.8 ± 0.4
5973 DAR-DIA-0cde14eb-54_1 molecule c1ccc2c(c1)cncc2NC(=O)Nc3cccc(c3)C4(CC4)C#N −7.8 ± 0.4
5974 EN300-125379_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@]56CCOC6 −7.8 ± 0.3
5975 MAK-UNK-c749d764-8_6 molecule c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F −7.8 ± 0.3
5976 EN300-366540_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCOC[C@H]5O −7.8 ± 0.3
5977 EN300-6729572_4_5_1 molecule C[C@@H]([C@@H]1C[C@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −7.8 ± 0.4
5978 MAT-POS-e9e99895-12_2 molecule C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CC[NH+](C)C −7.8 ± 0.7
5979 EN300-40947_2_2_1 molecule C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C −7.8 ± 0.4
5980 EN300-256759_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC(=O)NCC5 −7.8 ± 0.3
5981 KAD-UNI-8a629cb0-36_1 molecule CS(=O)(=O)N1CCC(CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.2
5982 EN300-2008102_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CN6C[C@H](O5)CCC6=O −7.8 ± 0.5
5983 EN300-6743781_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCCNS(=O)(=O)CC5 −7.8 ± 0.6
5984 PET-UNK-c5865d42-2_2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C([C@H]4CCN4)(F)F −7.8 ± 0.4
5985 EDG-MED-5d232de5-7_1 molecule c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4cccc(c4)Cl −7.8 ± 0.3
5986 EN300-23942_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5cccn5 −7.8 ± 0.2
5987 EN300-124918_2_1_1 molecule CN1C(=O)N[C@@H]([NH2+]1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.2
5988 EN300-18610_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)C(=O)N −7.8 ± 0.2
5989 EN300-238405_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CC(=O)NC5 −7.8 ± 0.3
5990 LAU-MED-88a3970a-18_1 molecule CNC(=O)CCc1cc(cc2c1OCC[C@@H]2C(=O)Nc3cncc4c3cccc4)Cl −7.8 ± 0.3
5991 EN300-341337_2_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56CCO[C@H]5CCOC6 −7.8 ± 0.3
5992 EN300-23214_1_2_1 molecule CCCNC(=O)[C@H](C)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.8 ± 0.3
5993 EN300-197715_1_1_1 molecule C[C@@H]1N[NH2+][NH2+][N@@]1CCCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.8 ± 0.5
5994 MAK-UNK-c749d764-25_8 molecule COC(=O)N(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F −7.8 ± 0.4
5995 EN300-1587691_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNC(=O)[C@H]5CCO −7.8 ± 0.3
5996 EN300-21200_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c(nccn5)C(=O)N −7.8 ± 0.4
5997 ALP-UNI-3735e77e-2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4Cl)Cl −7.8 ± 0.3
5998 EN300-7431964_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5CN(C5)C(=O)N −7.8 ± 0.3
5999 EN300-297561_2_1_1 molecule CC(C)[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −7.8 ± 0.3
6000 EN300-148421_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCOC5)O −7.8 ± 0.4
Last updated 2021-02-17T18:02:40.003401+00:00
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