0 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_200009866310 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.22 Cc1cc(c(c(c1)O)N)N 271570a_203496583355_100012348275 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.22 Cc1cc(cc(c1N)N)O 271570a_203496583355_100000688557 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.22 Cc1nc(=O)c(c([nH]1)O)F 271570a_203496583355_100010274585 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.22 Cc1nc([nH]c(=O)c1O)O 271570a_203496583355_100000187651 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.22 Cc1nc(c(c(n1)O)N)N 271570a_203496583355_100009882007 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.22 Cc1nc(nc(c1N)N)O 271570a_203496583355_100011218874 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.22 Cn1c(cc(=O)[nH]c1=O)O 271570a_203496583355_100000093302 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.22 Nc1cc(cc(c1N)F)O 271570a_203496583355_100011218333 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.22 Nc1cc(cc(c1N)O)F 271570a_203496583355_100011934818 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.22 Nc1nc(c(c(n1)O)N)N 271570a_203496583355_100000102768 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.3 Cc1nc[nH]c(=O)c1O 271570a_203496583355_100011356812 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.3 Nc1c(cn[nH]c1=O)O 271570a_203496583355_100000126857 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.3 Nc1cccc(c1N)O 271570a_203496583355_100015191791 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.3 Nc1ccnc(c1N)O 271570a_203496583355_100000085203 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.3 Nc1cn[nH]c(=O)c1O 271570a_203496583355_100000687681 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.3 Nc1nccc(c1N)O 271570a_203496583355_100000124095 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.3 Nc1ncnc(c1N)O 271570a_203496583355_100000766367 [1,0,0,0,0,0|0,0,3]=4 18 B9R1.34 Cc1cc(cc(=O)[nH]1)O 271570a_203496583355_100009861981 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.69 Nc1ccc([nH]c1=S)O 271570a_203496583355_100116329207 [1,0,0,0,0,0|1,1,1]=4 23 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.69 Nc1ccc(nc1N)O 271570a_203496583355_100000747239 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.69 Nc1cnc(cc1N)O 271570a_203496583355_100000067514 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.69 Nc1cnc(nc1N)O 271570a_203496583355_100011933915 [1,0,0,0,0,0|0,0,3]=4 27 B9R1.69 Nc1nc(=O)[nH]cc1O 271570a_203496583355_100000050048 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.69 Nc1ncc([nH]c1=O)O 271570a_203496583355_100009840296 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.69 Nc1ncc(c(=O)[nH]1)O 271570a_203496583355_100012456729 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.69 O=c1[nH]c(ncc1O)O 271570a_203496583355_100011215686 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.69 O=c1[nH]nc(c(=O)[nH]1)O 271570a_203496583355_100000181694 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.69 O=c1cc(c(c[nH]1)F)O 271570a_203496583355_100009817642 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.69 O=c1cc(c(c[nH]1)O)F 271570a_203496583355_100015631685 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.8 C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100011290941_200009866310 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.8 CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100102657272_200009866310 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.8 CNc1[nH]c(nc(=O)c1F)C 27a_100102657272_100010274585 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.8 CNc1cc(=O)[nH]c(=O)n1C 27a_100102657272_100000093302 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.8 CSc1[nH]c(=O)[nH]c(=O)c1C 62a_200000210301_200009866310 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.8 Cc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_200009866310 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.32 Cn1c(c(c(=O)[nH]c1=O)O)N 271570a_203496583355_100000184672 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.464 CCc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_100000080397 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.464 CNc1c(nc([nH]c1=O)O)C 27a_100102657272_100000187651 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.464 CSc1c([nH]c(=O)[nH]c1=O)N 62a_200000210301_100009998185 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.464 [13CH3]Sc1c([nH]c(=O)[nH]c1=O)N 62a_200025704644_100009998185 [0,1,0,0,0,0|1,0,0]=2 45 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [1,0,1,0,0,0|2,0,0]=4 47 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [1,0,1,0,0,0|2,0,0]=4 49 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [1,0,1,0,0,0|2,0,0]=4 50 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [1,0,1,0,0,0|2,0,0]=4 51 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [2,0,0,0,0,0|1,0,1]=4 52 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [2,0,0,0,0,0|0,0,2]=4 54 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.44 C=CC(=O)CC(=O)NC(=O)N 1458a_100000185746_100000182717 [0,1,1,0,0,0|2,0,0]=4 59 B10R1.119 Cc1c(c[nH]c(=O)c1N)O 271570a_203496583355_100010163742 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.245 CSc1c(nc[nH]c1=O)N 62a_200000210301_200011345422 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.245 CSc1c(nc[nH]c1=O)N 62a_200011345422_200000210301 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.245 [13CH3]Sc1c(nc[nH]c1=O)N 62a_200011345422_200025704644 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.245 [13CH3]Sc1c(nc[nH]c1=O)N 62a_200025704644_200011345422 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.8 C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100011290941_100000015670 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 27a_100102657272_100000015670 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.8 CNc1cc([nH]c(=O)c1)C 27a_100102657272_100009861981 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.8 CNc1nc(=O)cc([nH]1)N 27a_100102657272_100000101444 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.8 CSc1cc(=O)[nH]c(=O)[nH]1 62a_200000210301_100000015670 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.8 CSc1nc(=O)cc([nH]1)N 62a_100000101444_200000210301 [1,1,0,0,0,0|0,1,1]=4 70 B10R1.8 CSc1nc(=O)cc([nH]1)N 62a_200000210301_100000101444 [1,1,0,0,0,0|0,1,1]=4 71 B10R1.8 [13CH3]Sc1cc(=O)[nH]c(=O)[nH]1 62a_200025704644_100000015670 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.8 [13CH3]Sc1nc(=O)cc([nH]1)N 62a_100000101444_200025704644 [1,1,0,0,0,0|0,1,1]=4 73 B10R1.8 [13CH3]Sc1nc(=O)cc([nH]1)N 62a_200025704644_100000101444 [1,1,0,0,0,0|0,1,1]=4 74 B10R1.25 C=Cc1c[nH]c(=O)nc1N 271570a_100011290941_100000050048 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.25 C=Cc1ccc(=O)[nH]c1N 271570a_100011290941_100009884077 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100011290941_100000181694 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 CNc1n[nH]c(=O)[nH]c1=O 27a_100102657272_100000181694 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.25 CSc1ccc(=O)[nH]c1N 62a_100009884077_200000210301 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.25 CSc1cnc(=O)[nH]c1N 62a_100000708077_200000210301 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.25 CSc1cnc(=O)[nH]c1N 62a_200000210301_100000708077 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.25 CSc1n[nH]c(=O)[nH]c1=O 62a_200000210301_100000181694 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.25 [13CH3]Sc1ccc(=O)[nH]c1N 62a_100009884077_200025704644 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.25 [13CH3]Sc1cnc(=O)[nH]c1N 62a_100000708077_200025704644 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.25 [13CH3]Sc1cnc(=O)[nH]c1N 62a_200025704644_100000708077 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.25 [13CH3]Sc1n[nH]c(=O)[nH]c1=O 62a_200025704644_100000181694 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.118 Cc1[nH]c(=O)c(cc1O)N 271570a_203496583355_100010126670 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.118 Cn1cc(c(=O)[nH]c1=O)O 271570a_203496583355_100000185368 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.40 C=C=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100015277604_200009866310 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.40 CCNc1[nH]c(=O)[nH]c(=O)c1C 27a_100015525214_200009866310 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.40 CCSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000210202_200009866310 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_106832991635_200000042301 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_106832991635_200000042301 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.40 CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200000210301_200000042301 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.40 Cc1c([nH]c(=O)[nH]c1=O)SCF 62a_100015361967_200009866310 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.40 [13CH3]SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200025704644_200000042301 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.234 C=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100011290941_100000080397 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.234 CCc1c([nH]c(=O)[nH]c1=O)SC 62a_200000210301_100000080397 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.234 CCc1c([nH]c(=O)[nH]c1=O)S[13CH3] 62a_200025704644_100000080397 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.511 C=C(C)c1[nH]c(=O)[nH]c(=O)c1C 271570a_100000694244_200009866310 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.511 Cc1c([nH]c(=O)[nH]c1=O)N(C)C 27a_100102631434_200009866310 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.98 C=Cc1c(n(c(=O)[nH]c1=O)C)N 271570a_100011290941_100000184672 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.98 CCn1c(c(c(=O)[nH]c1=O)O)N 271570a_203496583355_100000184670 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.98 CSc1c(n(c(=O)[nH]c1=O)C)N 62a_100000184672_200000210301 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.98 CSc1c(n(c(=O)[nH]c1=O)C)N 62a_200000210301_100000184672 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.98 Cn1c(c(c(=O)[nH]c1=O)S[13CH3])N 62a_100000184672_200025704644 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.98 Cn1c(c(c(=O)[nH]c1=O)S[13CH3])N 62a_200025704644_100000184672 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.3795 Cc1c(c(=O)n(c(=O)n1C)C)O 271570a_203496583355_200009812460 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.1095 CCSc1c([nH]c(=O)[nH]c1=O)N 62a_100000210202_100009998185 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.1095 Nc1[nH]c(=O)[nH]c(=O)c1SCF 62a_100015361967_100009998185 [0,2,0,0,0,0|1,0,0]=3 111 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [1,0,0,0,1,0|2,0,0]=4 112 B10R0.57 C/C=C(\C)/C(=O)NCC(=O)N 11a_100000711301_100020587367 [0,0,1,0,0,1|2,0,0]=4