0 B10R1.4 C=C=Cc1cccc[n+]1C 271570a_100015277604_100000212160 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.4 C=C=Cc1cccc[n+]1[O-] 271570a_100015277604_200000042595 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.4 C=C=Cc1ccncc1C 271570a_100015277604_100015191297 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.4 CC=Cc1cccc[n+]1[O-] 271570a_100016259895_200000042595 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.4 CCSc1cccc[n+]1[O-] 62a_100000210202_200000042595 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.4 C[n+]1ccccc1SCF 62a_100015361967_100000212160 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.4 [O-][n+]1ccccc1OCF 7a_100000211761_100015361967 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.4 [O-][n+]1ccccc1SCF 62a_100015361967_200000042595 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.13 C=C=Cc1cccc(=O)n1C 271570a_100015277604_100000726605 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.13 C=C=Cc1cccc(c1C)Br 271570a_100015277604_100012353703 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.13 C=C=Cc1cccc(c1C)C 271570a_100015277604_100011214922 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.13 C=C=Cc1cccc(c1C)Cl 271570a_100015277604_100000726075 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.13 C=C=Cc1cccc(c1C)F 271570a_100015277604_100011216893 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.13 C=C=Cc1cccc(c1C)N 271570a_100015277604_100000761887 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.13 C=C=Cc1cccc(c1C)O 271570a_100015277604_100012002258 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.13 CC=Cc1cccc(=O)n1C 271570a_100016259895_100000726605 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.13 CC=Cc1cccc(c1C)Br 271570a_100016259895_100012353703 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.13 CC=Cc1cccc(c1C)C 271570a_100016259895_100011214922 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.13 CC=Cc1cccc(c1C)Cl 271570a_100016259895_100000726075 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.13 CC=Cc1cccc(c1C)F 271570a_100016259895_100011216893 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.13 CC=Cc1cccc(c1C)N 271570a_100016259895_100000761887 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.13 CC=Cc1cccc(c1C)O 271570a_100016259895_100012002258 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.17 C#CCSc1cccc[n+]1C 62a_100000038162_100000212160 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.17 C=CCSc1cccc[n+]1C 62a_100000210623_100000212160 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.17 CC=NNc1ccccc1C 4a_100000184220_200000210099 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.17 CCCSc1cccc[n+]1C 62a_100000210303_100000212160 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.17 COCSc1cccc[n+]1C 62a_100000766300_100000212160 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.17 COCSc1cccc[n+]1[O-] 62a_100000766300_200000042595 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.17 CSCSc1cccc[n+]1C 62a_100011218213_100000212160 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.17 C[n+]1ccccc1SCC#N 62a_100011215382_100000212160 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.17 C[n+]1ccccc1SCCF 62a_100011217306_100000212160 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.17 [O-][n+]1ccccc1SCCO 62a_100000211926_200000042595 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.41 C=C=Cc1ccccc1CN 271570a_100015277604_100000689332 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.41 C=C=Cc1ccccc1CO 271570a_100015277604_100000187465 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.81 C=C=Cc1ccc(c[n+]1[O-])C 271570a_100015277604_100009819918 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.81 C=C=Cc1ccc(c[n+]1[O-])F 271570a_100015277604_100009817261 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.81 C=C=Cc1ccc(cc1C)Br 271570a_100015277604_100000701812 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.81 C=C=Cc1ccc(cc1C)C 271570a_100015277604_100011217332 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.81 C=C=Cc1ccc(cc1C)Cl 271570a_100015277604_100011219607 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.81 C=C=Cc1ccc(cc1C)F 271570a_100015277604_100011205405 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.81 C=C=Cc1ccc(cc1C)N 271570a_100015277604_100000210723 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.81 C=C=Cc1ccc(cc1C)O 271570a_100015277604_100000729255 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.81 CC=Cc1ccc(c[n+]1[O-])C 271570a_100016259895_100009819918 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.81 CC=Cc1ccc(c[n+]1[O-])F 271570a_100016259895_100009817261 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.81 CC=Cc1ccc(cc1C)Br 271570a_100016259895_100000701812 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.81 CC=Cc1ccc(cc1C)Cl 271570a_100016259895_100011219607 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.81 CC=Cc1ccc(cc1C)F 271570a_100016259895_100011205405 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.81 CC=Cc1ccc(cc1C)N 271570a_100016259895_100000210723 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.81 CC=Cc1ccc(cc1C)O 271570a_100016259895_100000729255 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.86 CC(C)Sc1cccc[n+]1C 62a_100000210206_100000212160 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.182 C=C=Cc1cc(ccc1C)Br 271570a_100015277604_100011344865 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.182 C=C=Cc1cc(ccc1C)C 271570a_100015277604_100000210833 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.182 C=C=Cc1cc(ccc1C)Cl 271570a_100015277604_100011263213 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.182 C=C=Cc1cc(ccc1C)F 271570a_100015277604_100011218078 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.182 C=C=Cc1cc(ccc1C)N 271570a_100015277604_100000736455 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.182 C=C=Cc1cc(ccc1C)O 271570a_100015277604_100011380479 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.182 CC=Cc1cc(ccc1C)Br 271570a_100016259895_100011344865 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.182 CC=Cc1cc(ccc1C)C 271570a_100016259895_100000210833 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.182 CC=Cc1cc(ccc1C)Cl 271570a_100016259895_100011263213 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.182 CC=Cc1cc(ccc1C)F 271570a_100016259895_100011218078 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.182 CC=Cc1cc(ccc1C)N 271570a_100016259895_100000736455 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.605 C=C=Cc1c(ccc[n+]1[O-])C 271570a_100015277604_100116209805 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.605 C=C=Cc1c(cccc1C)C 271570a_100015277604_100000033847 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.605 C=C=Cc1c(cccc1Cl)C 271570a_100015277604_100000043165 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.605 C=C=Cc1c(cccc1F)C 271570a_100015277604_100012349962 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.605 C=C=Cc1c(cccc1N)C 271570a_100015277604_100000684715 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.605 C=C=Cc1c(cccc1O)C 271570a_100015277604_100000686692 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.605 CC=Cc1c(ccc[n+]1[O-])C 271570a_100016259895_100116209805 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.605 CC=Cc1c(cccc1C)C 271570a_100016259895_100000033847 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.605 CC=Cc1c(cccc1Cl)C 271570a_100016259895_100000043165 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.605 CC=Cc1c(cccc1F)C 271570a_100016259895_100012349962 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.605 CC=Cc1c(cccc1N)C 271570a_100016259895_100000684715 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.605 CC=Cc1c(cccc1O)C 271570a_100016259895_100000686692 [0,1,0,0,0,0|3,0,0]=4 209 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.55 C[n+]1ccccc1C2CC2 271570a_100011220607_100000212160 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [2,0,0,0,0,0|1,0,1]=4 218 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [2,0,0,0,0,0|0,0,0]=2 219 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.2 C=Cc1cccc(=O)n1C 271570a_100011290941_100000726605 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.25 C=Cc1ccc(c[n+]1[O-])C 271570a_100011290941_100009819918 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.25 C=Cc1ccc(c[n+]1[O-])F 271570a_100011290941_100009817261 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.245 C=Cc1c(ccc[n+]1[O-])C 271570a_100011290941_100116209805 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.245 C=Cc1c(cccc1C)C 271570a_100011290941_100000033847 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.245 C=Cc1c(cccc1Cl)C 271570a_100011290941_100000043165 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.245 C=Cc1c(cccc1F)C 271570a_100011290941_100012349962 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.245 C=Cc1c(cccc1N)C 271570a_100011290941_100000684715 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.125 CC(C)C=Cc1cccc[n+]1C 271570a_100016257149_100000212160 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.125 CC(O)C=Cc1cccc[n+]1C 271570a_200011019289_100000212160 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.125 CC(O)C=Cc1cccc[n+]1[O-] 271570a_200011019289_200000042595 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.125 CC(O)CSc1cccc[n+]1C 62a_100011218427_100000212160 [0,2,0,0,0,0|1,0,1]=4 297 B12R1.125 C[C@@H](O)CSc1cccc[n+]1C 62a_100009817552_100000212160 [0,2,0,0,0,0|1,0,1]=4 298 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.267 C/C=C/CSc1cccc[n+]1C 62a_100102629194_100000212160 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.267 CC=CCSc1cccc[n+]1C 62a_100000070051_100000212160 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.267 CCCC=Cc1cccc[n+]1C 271570a_100016258520_100000212160 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.267 CCNN=Cc1ccccc1C 4a_100000756455_100000211143 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.267 CCOC=Cc1cccc[n+]1C 271570a_100016256518_100000212160 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.267 CCOC=Cc1cccc[n+]1[O-] 271570a_100016256518_200000042595 [0,2,0,0,0,0|2,0,0]=4 305 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.267 CCOCSc1cccc[n+]1C 62a_100000739092_100000212160 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.267 COCC=Cc1cccc[n+]1C 271570a_100016286323_100000212160 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.267 COCC=Cc1cccc[n+]1[O-] 271570a_100016286323_200000042595 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.267 COCCSc1cccc[n+]1C 62a_100000233755_100000212160 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.267 C[n+]1ccccc1SCCCO 62a_100011215043_100000212160 [0,2,0,0,0,0|1,0,1]=4 312 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.371 CC(CO)Sc1cccc[n+]1C 62a_100012180447_100000212160 [0,2,0,0,0,0|1,0,1]=4 315 B12R1.371 COC(C)Sc1cccc[n+]1C 62a_100009879195_100000212160 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.371 C[C@H](CO)Sc1cccc[n+]1C 62a_100016084084_100000212160 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.374 CO/N=C/c1cc(ccc1F)O 271570a_203496583355_200009812721 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,2,0,0,0,0|1,0,0]=3 322 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,2,0,0,0,0|1,0,0]=3 323 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|1,0,1]=4 324 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|1,0,1]=4 325 B12R1.124 CC(=C(C)c1cccc[n+]1C)C 271570a_200000049429_100000212160 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,1,1,0,0|2,0,0]=4 327 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,1,1,0,0|2,0,0]=4 328 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [0,0,1,1,0,0|2,0,0]=4 329 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [0,0,1,1,0,0|2,0,0]=4 330 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [0,0,1,1,0,0|1,0,1]=4 331 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,0,1,1,0,0|2,0,0]=4 332 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [0,0,1,1,0,0|2,0,0]=4 333 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [0,0,1,1,0,0|2,0,0]=4 334 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [0,0,1,1,0,0|2,0,0]=4 335 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [0,0,1,1,0,0|2,0,0]=4 336 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [0,0,1,1,0,0|2,0,0]=4 337 B12R2.82 Cc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817094 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.1081 Oc1cccc2c1CCN=C2 271570a_203496583355_100010982778 [0,1,0,1,0,0|2,0,0]=4 339 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,1,0,1,0,0|1,0,1]=4 340 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.315 C=Cc1cccc2c1cno2 271570a_100011290941_100009818589 [0,1,0,1,0,0|1,0,1]=4 343 B12R2.315 CSc1cccc2c1cco2 62a_200000210301_100000756496 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.315 CSc1cccc2c1cn[nH]2 62a_200000210301_100000753301 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.315 CSc1cccc2c1cno2 62a_200000210301_100009818589 [0,1,0,1,0,0|1,0,0]=3 346 B12R2.315 [13CH3]Sc1cccc2c1cco2 62a_200025704644_100000756496 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.315 [13CH3]Sc1cccc2c1cn[nH]2 62a_200025704644_100000753301 [0,1,0,1,0,0|2,0,0]=4 348 B12R2.315 [13CH3]Sc1cccc2c1cno2 62a_200025704644_100009818589 [0,1,0,1,0,0|1,0,0]=3 349 B12R2.246 Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100009816875 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.221 Cc1ccc(c2c1cco2)O 271570a_203496583355_100010253976 [0,1,0,1,0,0|2,0,0]=4 351 B12R2.203 Cc1cccc2c1c(n[nH]2)O 271570a_203496583355_100000049903 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,1,0,0|2,0,0]=4