Microstates

Showing 801 through 900 of 11295
Rank Microstate SMILES ΔG / kcal M-1
801 EN300-217494_1_1 molecule C[C@@]([C@@H]1CCOC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.5 ± 0.3
802 EN300-52382_1_1 molecule CN(C)C(=O)Cn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
803 EN300-212814_1_3 molecule C[C@@H]1CN(C[C@H](O1)CCO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
804 EN300-50561_1_2 molecule Cc1nnc2n1C[C@H](CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.5 ± 0.3
805 EN300-399606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCC[C@@H]6O −11.5 ± 0.2
806 EN300-6736413_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCNC5=O −11.5 ± 0.2
807 EN300-6736413_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCNC5=O −11.5 ± 0.2
808 EN300-298184_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCNC5=O −11.5 ± 0.3
809 VLA-UCB-50c39ae8-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −11.5 ± 0.2
810 EN300-6736413_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCNC5=O −11.5 ± 0.3
811 EN300-6736413_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCNC5=O −11.5 ± 0.3
812 EN300-7432415_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C6(CCC6)OC(=O)N5 −11.5 ± 0.3
813 EN300-1273249_1_1 molecule CO[C@@H]1COC[C@H]1n2cc(nn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −11.5 ± 0.4
814 EN300-219496_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCN(C5)S(=O)(=O)N −11.5 ± 0.5
815 EN300-152418_1_1 molecule Cn1cncc1CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
816 EN300-189563_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCC5CS(=O)(=O)C5 −11.5 ± 0.3
817 EN300-61694_1_1 molecule Cn1ncc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
818 EN300-6277108_1_1 molecule CO[C@@H]([C@@H]1CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
819 EN300-157776_1_3 molecule C[C@@H]1CN(C[C@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
820 EN300-378044_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC=CCO5 −11.5 ± 0.3
821 EN300-6494158_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5C[C@@H](CO5)CO −11.5 ± 0.3
822 EN300-205616_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6[nH]cnn6 −11.5 ± 0.3
823 EN300-301925_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCOC5)C#N −11.5 ± 0.3
824 EN300-68618_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cocn5 −11.5 ± 0.2
825 EN300-1726277_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](n5cccn5)F −11.5 ± 0.3
826 DAR-DIA-5ff57136-18_1 molecule c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N=C=S −11.5 ± 0.1
827 JOH-SUS-a69c159d-7_1 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −11.51 ± 0.06
828 EN300-203402_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)[nH]c(=O)[nH]6 −11.5 ± 0.3
829 EN300-297927_3_1 molecule CC(C)(C)n1nc(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.4
830 EN300-120586_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(F)F −11.5 ± 0.3
831 EN300-54417_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5cccc(c5)O −11.5 ± 0.3
832 EN300-651665_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H]5CCO6 −11.5 ± 0.3
833 EN300-95698_3_2 molecule C[C@H]1CC(=O)NC[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.2
834 EN300-180532_1_1 molecule C[C@@H]1CN(CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.4
835 EN300-863933_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C(=O)C −11.5 ± 0.3
836 EN300-7464289_1_2 molecule C[C@](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(=O)OC)F −11.5 ± 0.3
837 EN300-74029_1_1 molecule C[C@@H]1CC(=O)NCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
838 EN300-80083_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCC(=O)N5 −11.5 ± 0.3
839 EN300-6497444_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5OC[C@H](C6)O −11.5 ± 0.2
840 EN300-171766_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5n[nH]c(=O)s5 −11.5 ± 0.2
841 EN300-149013_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c([nH]nn5)Cl −11.5 ± 0.3
842 EN300-56202_3_2 molecule CC(=O)N1CSC[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.4
843 EN300-306316_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]cnn5 −11.5 ± 0.3
844 EN300-70489_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C#N −11.5 ± 0.3
845 EN300-658865_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)CO −11.5 ± 0.3
846 EN300-153257_1_1 molecule CC(C)[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.5 ± 0.3
847 EN300-6760290_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5[C@@H]6CC[C@H]([C@H]5CC[C@H]6O)O −11.5 ± 0.3
848 EN300-1718364_3_1 molecule CC1(CS(=O)(=O)C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
849 EN300-731622_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5COCCO5 −11.5 ± 0.3
850 EN300-53423_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC5 −11.5 ± 0.3
851 EN300-259062_1_2 molecule CNC(=O)C[C@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −11.5 ± 0.4
852 EN300-219531_3_1 molecule CCC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −11.5 ± 0.3
853 EN300-51257_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −11.5 ± 0.2
854 EN300-6744028_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC6CC5[C@H]([C@@H]6O)O −11.5 ± 0.3
855 EN300-249421_3_2 molecule C[C@H]([C@@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
856 EN300-6487407_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5[C@H](CC(=O)O5)O −11.5 ± 0.3
857 EN300-269453_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCc6nnnn6C5 −11.5 ± 0.3
858 EN300-7537194_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6cnnc6c5 −11.5 ± 0.2
859 EN300-191904_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cnnn5 −11.5 ± 0.3
860 EN300-182665_1_1 molecule Cc1nc(on1)[C@H]2C[C@@H](CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)O −11.5 ± 0.3
861 EN300-6473108_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6cccnn6n5 −11.5 ± 0.2
862 EN300-149975_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCC5)CO −11.5 ± 0.2
863 EN300-249764_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5CCC5)O −11.5 ± 0.4
864 EN300-343562_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]([C@H]5CO)CO −11.5 ± 0.4
865 EN300-7385329_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6nccn6C5 −11.5 ± 0.3
866 EN300-113234_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)OC5 −11.5 ± 0.3
867 EN300-114082_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)C#N −11.5 ± 0.2
868 EN300-120436_3_1 molecule Cn1cnn(c1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
869 EN300-6487680_1_1 molecule Cc1nnn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.3
870 EN300-91609_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H]6[C@H]5C6 −11.5 ± 0.3
871 EN300-1726277_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](n5cccn5)F −11.5 ± 0.2
872 EN300-80083_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCCC(=O)N5 −11.5 ± 0.3
873 EN300-40225_1_1 molecule Cc1c(cnn1CCO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.5 ± 0.4
874 EN300-06654_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cncn5 −11.5 ± 0.2
875 EN300-06654_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cncn5 −11.5 ± 0.2
876 EN300-6491117_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cnco5 −11.5 ± 0.3
877 EN300-6738887_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C6CCC5[C@H](CC[C@H]6O)O −11.5 ± 0.3
878 EN300-246248_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCNC5=O −11.5 ± 0.3
879 EN300-783124_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]([C@@H]5CCOC5)F −11.5 ± 0.2
880 EN300-95507_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)CO −11.5 ± 0.2
881 EN300-341337_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCO[C@@H]5CCOC6 −11.4 ± 0.3
882 EN300-7089802_3_1 molecule C[C@@H]([C@@H](C)O)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.3
883 EN300-2908024_3_1 molecule CC[C@@](C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.3
884 EN300-7473354_3_1 molecule Cc1ncn(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
885 EN300-129441_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5ncn6 −11.4 ± 0.2
886 EN300-98143_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cn[nH]5)F −11.4 ± 0.2
887 EN300-262604_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C(=O)N −11.4 ± 0.3
888 EN300-39405_3_2 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C −11.4 ± 0.4
889 EN300-222969_1_1 molecule CN1C[C@@H](OC1=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.4
890 EN300-100916_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5nccn5 −11.4 ± 0.3
891 EN300-37123_1_1 molecule Cn1cc(c(=O)[nH]c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
892 EN300-141695_1_2 molecule CN1CC[C@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.2
893 EN300-6491316_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6cnnn6c5 −11.4 ± 0.2
894 EN300-7459545_3_2 molecule CN(C)C[C@](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −11.4 ± 0.6
895 EN300-143449_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCN(=O)=O −11.4 ± 0.2
896 EN300-50009_3_1 molecule COC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.3
897 EN300-90225_4_1 molecule Cn1nc(nn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −11.4 ± 0.3
898 EN300-10895_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCC#N −11.4 ± 0.2
899 EN300-123614_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)NC(=O)N −11.4 ± 0.4
900 EN300-69162_3_1 molecule C[C@@H](COC)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −11.4 ± 0.3
Last updated 2021-02-11T07:27:27.453800+00:00
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