0 B9R1.13 C=C(C)CN1CC=CC1 269982a_100015195280_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.13 CC(=Cc1cncs1)C 271570a_100102525489_100011934649 [0,0,0,0,0,0|2,1,1]=4 10 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,0,0,0,0|2,1,1]=4 14 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,0,0,0|0,0,4]=4 18 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,0,0,0|1,0,3]=4 19 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,0,0|0,1,0]=1 24 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,0,0|1,1,0]=2 31 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,0,0|1,1,0]=2 35 B9R1.13 CC(=O)Cc1nnn[nH]1 1458a_100000070787_100000765167 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.13 CC(=O)Cn1cnnn1 1458a_200000211644_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.13 CC(=O)NC1C=CN=N1 11a_100134613517_100015343762 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.13 CC(=O)NC1C=CN=N1 240690a_100134613517_100015343762 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,0,0,0,0,0|2,0,2]=4 47 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,0,0,0,0,0|2,0,2]=4 48 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,0,0,0,0,0|2,0,2]=4 49 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,0,0,0,0,0|2,0,2]=4 50 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,0,0,0,0,0|2,1,1]=4 53 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,0,0,0,0,0|2,1,1]=4 54 B9R1.13 CC(C)Sc1cnco1 62a_100000210206_100020591547 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.13 CC(C)Sc1cnco1 62a_100020591547_100000210206 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.13 CN(C)Cc1c[nH]cn1 2230a_100102631434_100000707719 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.13 CN(C)Cc1c[nH]cn1 269982a_100102631434_100000707719 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.13 CN(C)Cc1cc[nH]n1 270004a_100102631434_100000738523 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,0,0|2,1,0]=3 65 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,0,0|2,1,0]=3 66 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,0,0|2,1,0]=3 67 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.13 CN(C)Cc1cnco1 270004a_100102631434_100000064291 [0,0,0,0,0,0|3,0,0]=3 80 B9R1.13 CN(C)Cc1cncs1 2230a_100102631434_100015185245 [0,0,0,0,0,0|3,1,0]=4 81 B9R1.13 CN(C)Cc1cncs1 269982a_100102631434_100015185245 [0,0,0,0,0,0|3,1,0]=4 82 B9R1.13 CN(C)Cc1cncs1 270004a_100102631434_100000749870 [0,0,0,0,0,0|3,1,0]=4 83 B9R1.13 CN(C)Cc1cocn1 270004a_100102631434_100000050382 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.13 CN(C)Cc1cscn1 2230a_100000225794_200000210301 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.13 CN(C)Cc1cscn1 2230a_100102631434_100000205941 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.13 CN(C)Cc1cscn1 269982a_100000225794_200000210301 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.13 CN(C)Cc1cscn1 269982a_100102631434_100000205941 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.13 CN(C)Cc1cscn1 270004a_100102631434_100000743575 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,0,0,0,0,0|3,0,0]=3 96 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,0,0,0,0,0|3,1,0]=4 97 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,0,0,0,0,0|3,1,0]=4 98 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,0,0,0,0,0|3,1,0]=4 99 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,0,0,0,0,0|3,1,0]=4 100 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,0,0,0,0,0|3,1,0]=4 101 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,0,0|2,0,0]=2 103 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,0,0|2,1,0]=3 104 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,0,0|2,1,0]=3 105 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.13 CN([13CH3])Cc1cscn1 2230a_100000225794_200025704644 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.13 CN([13CH3])Cc1cscn1 269982a_100000225794_200025704644 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,0,0,0,0,0|3,1,0]=4 114 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,0,0,0,0,0|3,1,0]=4 115 B9R1.13 NC(=O)CN1CC=CC1 269982a_100015195280_100000187820 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.13 O=C([O-])CN1CC=CC1 269982a_100015195280_100020667443 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,0,0|1,0,2]=3 118 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,0,0|1,0,2]=3 119 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,0,0,0|1,0,2]=3 120 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,0,0|2,0,0]=2 121 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,0,0|1,0,0]=1 122 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,0,0|0,0,0]=0 123 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,0,0|0,1,0]=1 124 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,0,0|2,0,0]=2 125 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,0,0|2,0,0]=2 126 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,0,0|2,0,0]=2 127 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,0,0|2,0,0]=2 128 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,0,0|2,0,0]=2 130 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [0,0,0,0,0,0|3,0,0]=3 132 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,0,0|3,0,0]=3 133 B9R1.13 [13CH3]C(=O)Cn1cnnn1 1458a_200000211644_200025704644 [0,0,0,0,0,0|4,0,0]=4 134 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,0,0,0,0|3,0,0]=3 135 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,0,0,0,0,0|0,0,3]=4 136 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,0,0,0,0,0|0,0,1]=2 139 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,0,0,0,0,0|0,1,1]=3 140 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,0,0,0,0,0|1,0,1]=3 144 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,0,0,0,0,0|1,1,1]=4 145 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,0,0,0,0,0|2,0,1]=4 147 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,0,0,0,0,0|1,0,1]=3 148 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,0,0,0,0,0|1,1,1]=4 149 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,0,0,0,0,0|1,0,1]=3 150 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,0,0,0,0,0|1,0,1]=3 151 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,0,0,0,0,0|1,1,1]=4 152 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,0,0,0,0,0|1,1,1]=4 153 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,0,0,0,0,0|2,0,1]=4 154 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,0,0,0,0,0|2,0,1]=4 155 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,0,0,0,0,0|2,0,1]=4 156 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,0,0,0,0,0|2,0,1]=4 157 B8R1.8 CNCc1c[nH]cn1 2230a_106832991635_100000707719 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.8 CNCc1c[nH]cn1 34a_100102657272_100000707719 [1,0,0,0,0,0|3,0,0]=4 159 B8R1.8 CNCc1cc[nH]n1 207a_100102657272_100000738523 [1,0,0,0,0,0|3,0,0]=4 160 B8R1.8 CNCc1cc[nH]n1 270004a_106832991635_100000738523 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,0,0,0,0,0|1,0,0]=2 163 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,0,0,0,0,0|1,0,0]=2 164 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,0,0,0,0,0|1,0,0]=2 165 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,0,0,0,0,0|1,1,0]=3 166 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,0,0,0,0,0|1,1,0]=3 167 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,0,0,0,0,0|1,1,0]=3 168 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [1,0,0,0,0,0|3,0,0]=4 169 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [1,0,0,0,0,0|3,0,0]=4 171 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [1,0,0,0,0,0|3,0,0]=4 172 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 176 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [1,0,0,0,0,0|3,0,0]=4 177 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [1,0,0,0,0,0|3,0,0]=4 178 B8R1.8 CNCc1ccsc1 207a_100102657272_100000188534 [1,0,0,0,0,0|3,0,0]=4 179 B8R1.8 CNCc1ccsc1 2230a_100000186416_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B8R1.8 CNCc1ccsc1 2230a_106832991635_100011261437 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.8 CNCc1ccsc1 270004a_106832991635_100000188534 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.8 CNCc1ccsc1 34a_100000186416_200000210301 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.8 CNCc1ccsc1 34a_100102657272_100011261437 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.8 CNCc1ccsc1 7a_106832991635_100011261437 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,0,0,0,0,0|3,0,0]=4 186 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.8 CNCc1cncs1 207a_100102657272_100000749870 [1,0,0,0,0,0|2,1,0]=4 188 B8R1.8 CNCc1cncs1 2230a_100016987365_200000210301 [1,0,0,0,0,0|2,1,0]=4 189 B8R1.8 CNCc1cncs1 2230a_106832991635_100015185245 [1,0,0,0,0,0|2,1,0]=4 190 B8R1.8 CNCc1cncs1 270004a_106832991635_100000749870 [1,0,0,0,0,0|2,1,0]=4 191 B8R1.8 CNCc1cncs1 34a_100102657272_100015185245 [1,0,0,0,0,0|2,1,0]=4 192 B8R1.8 CNCc1cncs1 7a_106832991635_100015185245 [1,0,0,0,0,0|2,1,0]=4 193 B8R1.8 CNCc1cocn1 270004a_106832991635_100000050382 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.8 CNCc1cscn1 207a_100102657272_100000743575 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.8 CNCc1cscn1 2230a_100015185402_200000210301 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.8 CNCc1cscn1 2230a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.8 CNCc1cscn1 270004a_106832991635_100000743575 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.8 CNCc1cscn1 34a_100102657272_100000205941 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.8 CNCc1cscn1 7a_106832991635_100000205941 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,0,0,0,0,0|2,0,0]=3 206 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,0,0,0,0,0|2,0,0]=3 209 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,0,0,0,0,0|2,1,0]=4 210 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,0,0,0,0,0|2,1,0]=4 211 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,0,0,0,0,0|2,1,0]=4 212 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,0,0,0,0,0|2,1,0]=4 213 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,0,0,0,0,0|2,1,0]=4 214 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,0,0,0,0,0|2,1,0]=4 215 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,0,0,0,0,0|1,0,0]=2 217 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,0,0,0,0,0|1,1,0]=3 218 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,0,0,0,0,0|2,1,0]=4 225 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,0,0,0,0,0|3,0,0]=4 227 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,0,0,0,0,0|2,0,0]=3 229 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,0,0,0,0,0|2,1,0]=4 230 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B8R1.8 CSCc1c[nH]cn1 62a_100000707719_200000210301 [1,0,0,0,0,0|3,0,0]=4 232 B8R1.8 CSCc1c[nH]cn1 62a_200000210301_100000707719 [1,0,0,0,0,0|3,0,0]=4 233 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [1,0,0,0,0,0|3,0,0]=4 237 B8R1.8 CSCc1ccsc1 62a_100011261437_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.8 CSCc1ccsc1 62a_200000210301_100011233845 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.8 CSCc1cncs1 62a_100015185245_200000210301 [1,0,0,0,0,0|2,1,0]=4 240 B8R1.8 CSCc1cncs1 62a_200000210301_100015185245 [1,0,0,0,0,0|2,1,0]=4 241 B8R1.8 CSCc1cscn1 62a_100000205941_200000210301 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.8 CSCc1cscn1 62a_200000210301_100000205941 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,0,0,0,0,0|2,0,0]=3 246 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,0,0,0,0,0|2,1,0]=4 248 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,0,0,0,0,0|2,1,0]=4 249 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,0,0,0,0,0|2,0,1]=4 250 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,0,0,0,0,0|2,0,1]=4 251 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [1,0,0,0,0,0|2,0,1]=4 252 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,0,0,0,0,0|1,0,0]=2 253 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,0,0,0,0,0|1,0,0]=2 254 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,0,0,0,0,0|1,1,0]=3 255 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.8 [13CH3]NCc1ccsc1 2230a_100000186416_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.8 [13CH3]NCc1ccsc1 34a_100000186416_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.8 [13CH3]NCc1cncs1 2230a_100016987365_200025704644 [1,0,0,0,0,0|2,1,0]=4 260 B8R1.8 [13CH3]NCc1cscn1 2230a_100015185402_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,0,0,0,0,0|2,0,0]=3 262 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,0,0,0,0,0|2,1,0]=4 263 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,0,0,0,0,0|1,0,0]=2 264 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,0,0,0,0,0|1,1,0]=3 265 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,0,0,0,0,0|3,0,0]=4 267 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_100000707719_200025704644 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.8 [13CH3]SCc1c[nH]cn1 62a_200025704644_100000707719 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.8 [13CH3]SCc1ccsc1 62a_100011261437_200025704644 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.8 [13CH3]SCc1ccsc1 62a_200025704644_100011233845 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.8 [13CH3]SCc1cncs1 62a_100015185245_200025704644 [1,0,0,0,0,0|2,1,0]=4 279 B8R1.8 [13CH3]SCc1cncs1 62a_200025704644_100015185245 [1,0,0,0,0,0|2,1,0]=4 280 B8R1.8 [13CH3]SCc1cscn1 62a_100000205941_200025704644 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.8 [13CH3]SCc1cscn1 62a_200025704644_100000205941 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,0,0,0,0,0|2,0,0]=3 286 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,0,0,0,0,0|2,1,0]=4 287 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,0,0,0,0,0|2,1,0]=4 288 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,0,0|1,0,1]=3 289 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,0|1,1,1]=4 290 B10R1.23 CC(=C(C)c1cnco1)C 271570a_200000049429_100020591547 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.23 CC(=O)C(C)N1CC=CC1 269982a_100015195280_100009814033 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.23 CC(=O)C(C)n1ccnc1 1458a_100000739688_200000210301 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.23 CC(=O)C(C)n1cncn1 1458a_100000694750_200000210301 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.23 CC(C(=O)[13CH3])n1ccnc1 1458a_100000739688_200025704644 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.23 CC(C(=O)[13CH3])n1cncn1 1458a_100000694750_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.23 CC(c1ccco1)N(C)C 2230a_100000232712_200000210301 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.23 CC(c1ccco1)N(C)C 269982a_100000232712_200000210301 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.23 CC(c1ccco1)N(C)[13CH3] 2230a_100000232712_200025704644 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.23 CC(c1ccco1)N(C)[13CH3] 269982a_100000232712_200025704644 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.23 CC(c1cccs1)N(C)C 2230a_100000186410_200000210301 [0,1,0,0,0,0|2,1,0]=4 304 B10R1.23 CC(c1cccs1)N(C)C 269982a_100000186410_200000210301 [0,1,0,0,0,0|2,1,0]=4 305 B10R1.23 CC(c1cccs1)N(C)[13CH3] 2230a_100000186410_200025704644 [0,1,0,0,0,0|2,1,0]=4 306 B10R1.23 CC(c1cccs1)N(C)[13CH3] 269982a_100000186410_200025704644 [0,1,0,0,0,0|2,1,0]=4 307 B10R1.27 C#CC(=O)Cc1c[nH]cn1 1458a_100000211873_100000707719 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.27 C#CC(=O)Cc1ccn[nH]1 1458a_100000211873_100000728653 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.27 C#CC(=O)Cc1ccon1 1458a_100000211873_100000234950 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.27 C#CC(=O)Cc1ccsc1 1458a_100000211873_100011233845 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.27 C#CC(=O)Cc1cncs1 1458a_100000211873_100015185245 [0,1,0,0,0,0|1,1,1]=4 312 B10R1.27 C#CC(=O)Cc1cscn1 1458a_100000211873_100000205941 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.27 C#CC(=O)Cc1ncco1 1458a_100000211873_103436540062 [0,1,0,0,0,0|1,0,1]=3 314 B10R1.27 C#CC(=O)Cc1nccs1 1458a_100000211873_100015184050 [0,1,0,0,0,0|1,1,1]=4 315 B10R1.27 C#CC(C)Sc1ccco1 62a_200000035995_100009814098 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.27 C=CC(=O)Cc1c[nH]cn1 1458a_100000185746_100000707719 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.27 C=CC(=O)Cc1ccn[nH]1 1458a_100000185746_100000728653 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.27 C=CC(=O)Cc1ccon1 1458a_100000185746_100000234950 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.27 C=CC(=O)Cc1ccsc1 1458a_100000185746_100011233845 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.27 C=CC(=O)Cc1cncs1 1458a_100000185746_100015185245 [0,1,0,0,0,0|1,1,1]=4 321 B10R1.27 C=CC(=O)Cc1cscn1 1458a_100000185746_100000205941 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,1,0,0,0,0|1,0,1]=3 323 B10R1.27 C=CC(=O)Cc1nccs1 1458a_100000185746_100015184050 [0,1,0,0,0,0|1,1,1]=4 324 B10R1.27 C=CC(C)Sc1ccco1 62a_100011215867_100009814098 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.27 CC(C#N)Sc1ccco1 62a_100000703298_100009814098 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.27 CC(C#N)Sc1ccco1 62a_100009814098_100000703298 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,1,0,0,0,0|1,0,2]=4 328 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,1,0,0,0,0|0,0,2]=3 329 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,1,0,0,0,0|0,0,2]=3 330 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,1,0,0,0,0|1,1,1]=4 331 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,1,0,0,0,0|1,0,2]=4 332 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,0,0,0|1,0,2]=4 333 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,1,0,0,0,0|1,0,2]=4 334 B10R1.27 CCC(=O)CN1CC=CC1 269982a_100015195280_100000747405 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,0,0|1,0,0]=2 338 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,0|0,0,0]=1 339 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,0,0|0,1,0]=2 340 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,1,0,0,0,0|1,1,0]=3 347 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,1,0,0,0,0|1,0,0]=2 350 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,0,0|1,1,0]=3 351 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.27 CCC(=O)Cn1ccnc1 1458a_100000739072_100000210202 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.27 CCC(=O)Cn1ccnn1 1458a_100000080816_100000210202 [0,1,0,0,0,0|3,0,0]=4 355 B10R1.27 CCC(=O)Cn1cncn1 1458a_100000210414_200020645497 [0,1,0,0,0,0|3,0,0]=4 356 B10R1.27 CCC(=O)Cn1cncn1 1458a_100000699347_100000210202 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.27 CCC(=O)Cn1nccn1 1458a_100000080817_100000210202 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,1,0,0,0,0|2,1,0]=4 365 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,1,0,0,0,0|2,1,0]=4 366 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,1,0,0,0,0|2,1,0]=4 367 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,1,0,0,0,0|2,1,0]=4 368 B10R1.27 CCN(C)Cc1ncco1 2230a_100000225621_103436540062 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.27 CCN(C)Cc1ncco1 269982a_100000225621_103436540062 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,1,0,0,0,0|2,1,0]=4 373 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,1,0,0,0,0|2,1,0]=4 374 B10R1.27 CN(CF)Cc1ccco1 269982a_100000185268_100015361967 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.27 CN(CF)Cc1cccs1 269982a_100000184426_100015361967 [0,1,0,0,0,0|2,1,0]=4 376 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,1,0,0,0,0|1,0,2]=4 377 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,1,0,0,0,0|1,0,2]=4 378 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,1,0,0,0,0|1,0,2]=4 379 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,1,0,0,0,0|1,0,2]=4 380 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,1,0,0,0,0|1,0,2]=4 381 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,1,0,0,0,0|1,0,2]=4 382 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,1,0,0,0,0|1,0,2]=4 383 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,1,0,0,0,0|1,0,2]=4 384 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [0,1,0,0,0,0|1,0,2]=4 385 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [0,1,0,0,0,0|1,0,2]=4 386 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [0,1,0,0,0,0|1,0,2]=4 387 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [0,1,0,0,0,0|1,0,2]=4 388 B10R1.27 CNC(=O)CN1CC=CC1 269982a_100015195280_100000183359 [0,1,0,0,0,0|2,0,1]=4 389 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,0,0|1,0,0]=2 392 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,0,0|1,0,0]=2 393 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,0|0,0,0]=1 394 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,0|0,0,0]=1 395 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,0,0|0,1,0]=2 396 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,0,0|0,1,0]=2 397 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,0,0|0,1,0]=2 398 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.27 CNC(=O)Cn1ccnc1 11a_106832991635_100000739072 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.27 CNC(=O)Cn1ccnc1 1626a_100102657272_100000739072 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.27 CNC(=O)Cn1ccnc1 240690a_100102657272_100000739072 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.27 CNC(=O)Cn1ccnn1 11a_106832991635_100000080816 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.27 CNC(=O)Cn1ccnn1 1626a_100102657272_100000080816 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.27 CNC(=O)Cn1ccnn1 240690a_100102657272_100000080816 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.27 CNC(=O)Cn1cncn1 11a_106832991635_100000699347 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.27 CNC(=O)Cn1cncn1 1626a_100102657272_100000699347 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.27 CNC(=O)Cn1cncn1 240690a_100102657272_100000699347 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.27 CNC(=O)Cn1nccn1 11a_106832991635_100000080817 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.27 CNC(=O)Cn1nccn1 1626a_100102657272_100000080817 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.27 CNC(=O)Cn1nccn1 240690a_100102657272_100000080817 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.27 CNC(=O)Cn1nccn1 527a_100102657272_100000080817 [0,1,0,0,0,0|3,0,0]=4 434 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,1,0,0,0,0|1,0,1]=3 435 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,1,0,0,0,0|1,1,1]=4 436 B10R1.27 COC(=O)CN1CC=CC1 269982a_100015195280_100000747449 [0,1,0,0,0,0|2,0,1]=4 437 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,1,0,0,0,0|0,0,2]=3 438 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,1,0,0,0,0|0,0,2]=3 439 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,1,0,0,0,0|1,0,2]=4 440 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,1,0,0,0,0|1,0,2]=4 441 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,1,0,0,0,0|1,0,2]=4 442 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,1,0,0,0,0|1,0,2]=4 443 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,1,0,0,0,0|1,0,2]=4 444 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [0,1,0,0,0,0|1,0,2]=4 445 B10R1.27 O=C(CF)CC1CC=CC1 1458a_200000137526_100015361967 [0,1,0,0,0,0|1,0,2]=4 446 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,0|0,0,0]=1 449 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,0,0|0,1,0]=2 450 B10R1.27 O=C(CF)Cc1ccn[nH]1 1458a_100000752941_100015361967 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,1,0,0,0,0|2,0,0]=3 453 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.27 O=C(CF)Cn1cccn1 1458a_100000233772_100015361967 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.27 O=C(CF)Cn1ccnc1 1458a_100000739072_100015361967 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.27 O=C(CF)Cn1ccnn1 1458a_100000080816_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.27 O=C(CF)Cn1cncn1 1458a_100000699347_100015361967 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.27 O=C(CF)Cn1nccn1 1458a_100000080817_100015361967 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,0,0|2,0,0]=3 461 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,1,0,0,0,0|2,0,0]=3 462 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,0,0|2,0,0]=3 463 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,0,0|1,1,0]=3 465 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,0,0|2,0,0]=3 466 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,0|1,0,0]=2 467 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,0,0|1,1,0]=3 468 B10R1.27 O=C(CO)Cn1cncn1 1458a_100000210174_200020645497 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,1,0,0,0,0|1,1,1]=4 470 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,1,0,0,0,0|1,1,1]=4 471 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,1,0,0,0,0|1,1,1]=4 472 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,1,0,0,0,0|1,0,2]=4 473 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,0,0,0|1,0,2]=4 474 B10R1.54 CC(=O)C[NH+]1C=CN(C1)C 1458a_100121571517_200000210301 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.54 CC(=O)C[n+]1ccn(c1)C 1458a_100000765871_200000210301 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,0,0|0,1,0]=2 477 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,0,0|0,1,0]=2 478 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,1,0,0,0,0|1,0,0]=2 479 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,0,0,0|1,0,0]=2 480 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,0,0,0|1,0,0]=2 481 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,0,0|2,0,0]=3 482 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,0,0|0,1,0]=2 483 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,0,0|0,1,0]=2 484 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,0,0|0,1,0]=2 485 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,0,0|0,1,0]=2 486 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,1,0,0,0,0|1,1,0]=3 490 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,1,0,0,0,0|1,1,0]=3 491 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,1,0,0,0,0|1,1,0]=3 492 B10R1.54 CC(=O)Cc1cnn(c1)C 1458a_100000070787_100000744441 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,0,0|2,0,0]=3 494 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,0,0|2,0,0]=3 496 B10R1.54 CC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000070787_100000754189 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.54 CC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_200000210301 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100000070787_100000735555 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100011441805_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B10R1.54 CC(=O)Cc1ncn(n1)C 1458a_100000070787_100016995526 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,1,0,0,0,0|2,0,0]=3 502 B10R1.54 CC(=O)Cc1nnc(s1)C 1458a_100000070787_100000688753 [0,1,0,0,0,0|2,1,0]=4 503 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000070787_100000231061 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000105485_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.54 CC(=O)Cc1noc(n1)C 270196a_100011229364_100000070787 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.54 CC(=O)Cc1noc(n1)O 270196a_100011229364_100015183105 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.54 CC(=O)Cc1nsc(n1)Cl 1458a_100000070787_100000043760 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.54 CC(=O)Cn1cnc(n1)Br 1458a_200011099923_200000210301 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,0,0|1,1,0]=3 516 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,1,0,0,0,0|2,1,0]=4 517 B10R1.54 CN(C)Cc1cc(c[nH]1)Br 270004a_100102631434_100000720742 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.54 CN(C)Cc1cc(co1)Br 270004a_100102631434_100000747035 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100000207611_200000210301 [0,1,0,0,0,0|2,1,0]=4 520 B10R1.54 CN(C)Cc1cc(cs1)Br 2230a_100102631434_100000746031 [0,1,0,0,0,0|2,1,0]=4 521 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100000207611_200000210301 [0,1,0,0,0,0|2,1,0]=4 522 B10R1.54 CN(C)Cc1cc(cs1)Br 269982a_100102631434_100000746031 [0,1,0,0,0,0|2,1,0]=4 523 B10R1.54 CN(C)Cc1cc(cs1)Br 270004a_100102631434_100000211722 [0,1,0,0,0,0|2,1,0]=4 524 B10R1.54 CN(C)Cc1cc(cs1)Cl 270004a_100102631434_100000102487 [0,1,0,0,0,0|2,1,0]=4 525 B10R1.54 CN(C)Cc1cc(no1)Br 269982a_100102631434_100000709089 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.54 CN(C)Cc1cc(no1)Br 270004a_100102631434_100009819588 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,1,0,0,0,0|2,0,0]=3 529 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,1,0,0,0,0|2,0,0]=3 530 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,1,0,0,0,0|2,0,0]=3 531 B10R1.54 CN(C)Cc1ccc(s1)Br 2230a_100102631434_100000708592 [0,1,0,0,0,0|2,1,0]=4 532 B10R1.54 CN(C)Cc1ccc(s1)Br 269982a_100102631434_100000708592 [0,1,0,0,0,0|2,1,0]=4 533 B10R1.54 CN(C)Cc1ccc(s1)Br 270004a_100102631434_100000179771 [0,1,0,0,0,0|2,1,0]=4 534 B10R1.54 CN(C)Cc1ccc(s1)Cl 2230a_100102631434_100000185097 [0,1,0,0,0,0|2,1,0]=4 535 B10R1.54 CN(C)Cc1ccc(s1)Cl 269982a_100102631434_100000185097 [0,1,0,0,0,0|2,1,0]=4 536 B10R1.54 CN(C)Cc1ccc(s1)Cl 270004a_100102631434_100000242774 [0,1,0,0,0,0|2,1,0]=4 537 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 2230a_100000207611_200025704644 [0,1,0,0,0,0|2,1,0]=4 538 B10R1.54 CN([13CH3])Cc1cc(cs1)Br 269982a_100000207611_200025704644 [0,1,0,0,0,0|2,1,0]=4 539 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,1,0,0,0,0|2,0,0]=3 541 B10R1.54 CN1C=C[NH+](C1)CC(=O)[13CH3] 1458a_100121571517_200025704644 [0,1,0,0,0,0|3,0,0]=4 542 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,0,0,0|1,0,0]=2 543 B10R1.54 Cc1cc(on1)CN(C)C 2230a_100102631434_100000707947 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.54 Cc1cc(on1)CN(C)C 269982a_100102631434_100000707947 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.54 Cc1cc(on1)CN(C)C 270004a_100102631434_100011794430 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,1,0,0,0,0|2,0,0]=3 547 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,1,0,0,0,0|2,0,0]=3 550 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,1,0,0,0,0|2,0,0]=3 551 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,1,0,0,0,0|2,0,0]=3 553 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,1,0,0,0,0|2,1,0]=4 554 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,1,0,0,0,0|2,1,0]=4 555 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,1,0,0,0,0|2,1,0]=4 556 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,1,0,0,0,0|2,1,0]=4 557 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,1,0,0,0,0|2,1,0]=4 558 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,0,0|2,0,0]=3 559 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,0,0|2,0,0]=3 560 B10R1.54 Cc1csc(c1)CN(C)C 2230a_100011502060_200000210301 [0,1,0,0,0,0|2,1,0]=4 561 B10R1.54 Cc1csc(c1)CN(C)C 269982a_100011502060_200000210301 [0,1,0,0,0,0|2,1,0]=4 562 B10R1.54 Cc1csc(c1)CN(C)C 270004a_100102631434_100102525248 [0,1,0,0,0,0|2,1,0]=4 563 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 2230a_100011502060_200025704644 [0,1,0,0,0,0|2,1,0]=4 564 B10R1.54 Cc1csc(c1)CN(C)[13CH3] 269982a_100011502060_200025704644 [0,1,0,0,0,0|2,1,0]=4 565 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,0,0|2,0,0]=3 566 B10R1.54 Cc1nc(n[nH]1)CC(=O)[13CH3] 1458a_100011457670_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.54 Cc1nc(no1)CC(=O)[13CH3] 1458a_100000105485_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.54 Cc1ncc(o1)CN(C)C 270004a_100102631434_100000084308 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.54 Cc1noc(n1)CC(=O)[13CH3] 1458a_100011441805_200025704644 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.54 Cn1cc[n+](c1)CC(=O)[13CH3] 1458a_100000765871_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,0,0|0,1,0]=2 573 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,0,0|0,1,0]=2 574 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,0,0|0,1,0]=2 575 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,1,0,0,0,0|2,0,0]=3 577 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,1,0,0,0,0|2,0,0]=3 578 B10R1.54 [13CH3]C(=O)Cn1cnc(n1)Br 1458a_200011099923_200025704644 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.64 CC(=Cc1sccc1Br)C 271570a_100102525489_100012361411 [0,1,0,0,0,0|1,1,1]=4 580 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,1,0,0,0,0|1,1,1]=4 581 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,1,0,0,0,0|2,0,0]=3 582 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,0,0|2,0,0]=3 583 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,0,0|2,0,0]=3 584 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,0,0|2,0,0]=3 585 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,0,0|2,0,0]=3 586 B10R1.64 CC(=O)Cc1nnsc1Cl 1458a_100000070787_100000018852 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000070787_200000044682 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000238572_200000210301 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.64 CC(=O)Cc1snnc1C 1458a_100000070787_100000732739 [0,1,0,0,0,0|2,1,0]=4 590 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.64 CN(C)Cc1occc1Br 270004a_100102631434_100000756499 [0,1,0,0,0,0|2,0,0]=3 596 B10R1.64 CN(C)Cc1sccc1Br 2230a_100000767120_200000210301 [0,1,0,0,0,0|2,1,0]=4 597 B10R1.64 CN(C)Cc1sccc1Br 269982a_100000767120_200000210301 [0,1,0,0,0,0|2,1,0]=4 598 B10R1.64 CN(C)Cc1sccc1Br 270004a_100102631434_100000766043 [0,1,0,0,0,0|2,1,0]=4 599 B10R1.64 CN(C)Cc1sccc1Cl 270004a_100102631434_100000722334 [0,1,0,0,0,0|2,1,0]=4 600 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.64 CN([13CH3])Cc1sccc1Br 2230a_100000767120_200025704644 [0,1,0,0,0,0|2,1,0]=4 603 B10R1.64 CN([13CH3])Cc1sccc1Br 269982a_100000767120_200025704644 [0,1,0,0,0,0|2,1,0]=4 604 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B10R1.64 Cc1ccoc1CN(C)C 2230a_100000734364_200000210301 [0,1,0,0,0,0|2,0,0]=3 606 B10R1.64 Cc1ccoc1CN(C)C 269982a_100000734364_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B10R1.64 Cc1ccoc1CN(C)C 270004a_100102631434_100000763527 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.64 Cc1ccoc1CN(C)[13CH3] 2230a_100000734364_200025704644 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.64 Cc1ccoc1CN(C)[13CH3] 269982a_100000734364_200025704644 [0,1,0,0,0,0|2,0,0]=3 610 B10R1.64 Cc1ccsc1CN(C)C 2230a_100000695154_200000210301 [0,1,0,0,0,0|2,1,0]=4 611 B10R1.64 Cc1ccsc1CN(C)C 269982a_100000695154_200000210301 [0,1,0,0,0,0|2,1,0]=4 612 B10R1.64 Cc1ccsc1CN(C)C 270004a_100102631434_100000210881 [0,1,0,0,0,0|2,1,0]=4 613 B10R1.64 Cc1ccsc1CN(C)[13CH3] 2230a_100000695154_200025704644 [0,1,0,0,0,0|2,1,0]=4 614 B10R1.64 Cc1ccsc1CN(C)[13CH3] 269982a_100000695154_200025704644 [0,1,0,0,0,0|2,1,0]=4 615 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,1,0,0,0,0|3,0,0]=4 616 B10R1.64 Cc1nonc1CC(=O)[13CH3] 1458a_100000238572_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B10R1.281 CC(C)(C)Sc1ccco1 62a_100000211941_100009814098 [0,1,0,0,0,0|2,0,1]=4 618 B10R1.281 CC(C)(C)Sc1ccco1 62a_100009814098_100000211941 [0,1,0,0,0,0|2,0,1]=4 619 B8R0.5 C=C(C)CC(=O)C=CBr 1458a_100016273825_100000748629 [0,0,1,0,0,0|2,0,1]=4 620 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,1,0,0,0|1,0,2]=4 621 B8R0.5 C=C(C)CC(=O)C=CCl 1458a_200016279998_100000748629 [0,0,1,0,0,0|2,0,1]=4 622 B8R0.5 C=C(C)CC(=O)C=CI 1458a_100016256311_100000748629 [0,0,1,0,0,0|2,0,1]=4 623 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,1,0,0,0|1,0,2]=4 624 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,1,0,0,0|1,0,2]=4 625 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,0,1,0,0,0|1,0,2]=4 626 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,0,1,0,0,0|1,0,2]=4 627 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,0,1,0,0,0|1,0,2]=4 628 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [0,0,1,0,0,0|1,0,2]=4 629 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,1,0,0,0|1,0,0]=2 630 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,0,1,0,0,0|3,0,0]=4 631 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,0,1,0,0,0|3,0,0]=4 632 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,0,1,0,0,0|1,0,2]=4 633 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,0,1,0,0,0|1,0,2]=4 634 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,1,0,0,0|1,0,2]=4 635 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,1,0,0,0|1,0,2]=4 636 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,1,0,0,0|1,0,2]=4 637 B8R0.5 NC(=O)CC(=O)C=CBr 1458a_100016273825_100000187820 [0,0,1,0,0,0|2,0,1]=4 638 B8R0.5 NC(=O)CC(=O)C=CCl 1458a_200016279998_100000187820 [0,0,1,0,0,0|2,0,1]=4 639 B8R0.5 NC(=O)CC(=O)C=CI 1458a_100016256311_100000187820 [0,0,1,0,0,0|2,0,1]=4 640 B8R0.5 O=C([O-])CC(=O)C=CBr 1458a_100016273825_100020667443 [0,0,1,0,0,0|2,0,1]=4 641 B8R0.5 O=C([O-])CC(=O)C=CCl 1458a_200016279998_100020667443 [0,0,1,0,0,0|2,0,1]=4 642 B8R0.5 O=C([O-])CC(=O)C=CI 1458a_100016256311_100020667443 [0,0,1,0,0,0|2,0,1]=4 643 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,0,1,0,0,0|2,0,1]=4 644 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,1,0,0,0|1,0,2]=4 645 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,1,0,0,0|1,0,2]=4 646 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,1,0,0,0|1,0,2]=4 647 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,1,0,0,0|2,0,1]=4 648 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,0,1,0,0,0|1,0,2]=4 649 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,0,1,0,0,0|1,0,2]=4 650 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,1,0,0,0|0,0,2]=3 651 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,1,0,0,0|0,0,2]=3 652 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,1,0,0,0|0,0,2]=3 653 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,0,1,0,0,0|1,0,2]=4 654 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,0,1,0,0,0|1,0,2]=4 655 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,0,1,0,0,0|1,0,2]=4 656 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,1,0,0,0|0,0,2]=3 657 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,0,1,0,0,0|1,0,2]=4 658 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,1,0,0,0|0,1,2]=4 659 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,1,0,0,0|0,1,2]=4 660 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,1,0,0,0|1,0,2]=4 661 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,1,0,0,0|1,0,2]=4 662 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,1,0,0,0|1,0,2]=4 663 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,0,1,0,0,0|2,0,1]=4 664 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,1,0,0,0|1,0,2]=4 665 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,1,0,0,0|1,0,2]=4 666 B10R2.193 c1coc(c1)SC2CC2 62a_100009814098_100000211595 [0,0,0,1,0,0|2,0,1]=4 667 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,1,0|3,0,0]=4 668 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,1,0|3,0,0]=4 669 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,1,0|1,0,0]=2 670 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,1,0|1,1,0]=3 671 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,1,0|3,0,0]=4 672 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,1,0|3,0,0]=4 673 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,1,0|3,0,0]=4 674 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,1,0|2,0,0]=3 675 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,1,0|2,1,0]=4 676 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,1,0|3,0,0]=4 677 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,1,0|3,0,0]=4 678 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,1,0|2,0,0]=3 679 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,1,0|2,1,0]=4 680 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|1,0,2]=4 681 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,1,0|2,0,1]=4 682 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,1,0|2,0,1]=4 683 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,1,0|1,0,2]=4 684 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,1,0|2,0,1]=4 685 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,1,0|2,0,1]=4 686 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|1,0,2]=4 687 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,1,0|2,0,1]=4 688 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,1,0|2,0,1]=4 689 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,1,0|1,0,2]=4 690 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,0,1,0|0,0,3]=4 691 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,1|2,0,1]=4 692 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,1|2,0,1]=4 693 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,1|2,0,1]=4 694 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,1|2,0,1]=4 695 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,1|2,0,1]=4 696 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,1|2,0,1]=4 697 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,1|2,0,1]=4 698 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,1|2,0,1]=4 699 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,0,0,1|1,0,2]=4 700 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,1|2,0,0]=3 701 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|1,0,0]=2 702 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|1,0,0]=2 703 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|1,0,0]=2 704 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|1,0,0]=2 705 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|1,0,0]=2 706 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,1|1,0,0]=2 707 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,1|1,0,0]=2 708 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,1|1,0,0]=2 709 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,1|2,0,0]=3 710 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,1|2,0,0]=3 711 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,1|1,0,0]=2 712 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|2,0,0]=3 713 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|2,0,0]=3 714 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|2,0,0]=3 715 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|2,0,0]=3 716 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 717 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,1|3,0,0]=4 718 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,1|3,0,0]=4 719 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,1|3,0,0]=4 720 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,1|3,0,0]=4 721 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,1|3,0,0]=4 722 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,1|3,0,0]=4 723 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,1|3,0,0]=4 724 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,1|3,0,0]=4 725 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,1|3,0,0]=4 726 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,0,1|3,0,0]=4 727 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,0,1|3,0,0]=4 728 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,0,1|3,0,0]=4 729 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,0,1|3,0,0]=4 730 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,0,1|3,0,0]=4 731 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [0,0,0,0,0,1|3,0,0]=4 732 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,0,0,0,0,1|3,0,0]=4 733 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,0,0,0,0,1|3,0,0]=4 734 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,0,0,0,0,1|3,0,0]=4 735 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,0,0,0,0,1|3,0,0]=4 736 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,0,0,0,0,1|3,0,0]=4 737 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,0,0,0,0,1|3,0,0]=4 738 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,0,0,0,0,1|3,0,0]=4 739 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,0,0,0,0,1|3,0,0]=4 740 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,0,0,0,0,1|3,0,0]=4 741 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [0,0,0,0,0,1|3,0,0]=4 742 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [0,0,0,0,0,1|3,0,0]=4 743 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [0,0,0,0,0,1|3,0,0]=4 744 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [0,0,0,0,0,1|3,0,0]=4 745 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [0,0,0,0,0,1|3,0,0]=4 746 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 747 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,1|3,0,0]=4 748 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,1|3,0,0]=4 749 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,1|3,0,0]=4 750 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,0,1|3,0,0]=4 751 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,0,1|3,0,0]=4 752 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,0,0,0,0,1|3,0,0]=4 753 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,0,0,0,0,1|3,0,0]=4 754 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,0,0,0,0,1|3,0,0]=4 755 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,0,0,0,0,1|3,0,0]=4 756 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [0,0,0,0,0,1|3,0,0]=4 757 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [0,0,0,0,0,1|3,0,0]=4 758 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,0,0,1|1,0,2]=4 759 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,1|2,0,0]=3 760 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|1,0,0]=2 761 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|1,0,0]=2 762 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,1|2,0,0]=3 763 B10R1.66 C=C(C)COc1ccsc1 34a_100000106738_100000748629 [0,0,0,0,0,1|3,0,0]=4 764 B10R1.66 C=C(C)COc1ccsc1 7a_100000106738_100000748629 [0,0,0,0,0,1|3,0,0]=4 765 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000748629_100000756875 [0,0,0,0,0,1|3,0,0]=4 766 B10R1.66 C=C(C)CSc1c[nH]cn1 62a_100000756875_100000211660 [0,0,0,0,0,1|3,0,0]=4 767 B10R1.66 C=C(C)CSc1cc[nH]n1 62a_100000062575_100000211660 [0,0,0,0,0,1|3,0,0]=4 768 B10R1.66 C=C(C)CSc1cc[nH]n1 62a_100000748629_100000062575 [0,0,0,0,0,1|3,0,0]=4 769 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,0,1|1,0,0]=2 770 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,0,1|1,0,0]=2 771 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,0,1|1,1,0]=3 772 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,0,1|1,1,0]=3 773 B10R1.66 C=C(C)CSc1ccoc1 62a_100000748629_100011215275 [0,0,0,0,0,1|3,0,0]=4 774 B10R1.66 C=C(C)CSc1ccoc1 62a_100011215275_100000211660 [0,0,0,0,0,1|3,0,0]=4 775 B10R1.66 C=C(C)CSc1ccon1 62a_100000748629_100009818083 [0,0,0,0,0,1|3,0,0]=4 776 B10R1.66 C=C(C)CSc1ccon1 62a_100009818083_100000211660 [0,0,0,0,0,1|3,0,0]=4 777 B10R1.66 C=C(C)CSc1ccsc1 62a_100000738268_100000211660 [0,0,0,0,0,1|3,0,0]=4 778 B10R1.66 C=C(C)CSc1ccsc1 62a_100000748629_100000738268 [0,0,0,0,0,1|3,0,0]=4 779 B10R1.66 C=C(C)CSc1ccsn1 62a_100000748629_100009818082 [0,0,0,0,0,1|3,0,0]=4 780 B10R1.66 C=C(C)CSc1ccsn1 62a_100009818082_100000211660 [0,0,0,0,0,1|3,0,0]=4 781 B10R1.66 C=C(C)CSc1cnco1 62a_100000748629_100020591547 [0,0,0,0,0,1|2,0,0]=3 782 B10R1.66 C=C(C)CSc1cnco1 62a_100020591547_100000211660 [0,0,0,0,0,1|2,0,0]=3 783 B10R1.66 C=C(C)CSc1cncs1 62a_100000748629_100011934649 [0,0,0,0,0,1|2,1,0]=4 784 B10R1.66 C=C(C)CSc1cncs1 62a_100011934649_100000211660 [0,0,0,0,0,1|2,1,0]=4 785 B10R1.66 C=C(C)CSc1cscn1 62a_100000748629_100000751502 [0,0,0,0,0,1|3,0,0]=4 786 B10R1.66 C=C(C)CSc1cscn1 62a_100000751502_100000211660 [0,0,0,0,0,1|3,0,0]=4 787 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100000748629_100025796157 [0,0,0,0,0,1|3,0,0]=4 788 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100025796157_100000211660 [0,0,0,0,0,1|3,0,0]=4 789 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,0,0,0,0,1|2,0,0]=3 790 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,0,0,0,0,1|2,0,0]=3 791 B10R1.66 C=C(C)CSc1nccs1 62a_100000211983_100000211660 [0,0,0,0,0,1|2,1,0]=4 792 B10R1.66 C=C(C)CSc1nccs1 62a_100000748629_100000211983 [0,0,0,0,0,1|2,1,0]=4 793 B10R1.66 C=C(F)CSc1ccco1 62a_100000042424_100009814098 [0,0,0,0,0,1|1,0,1]=3 794 B10R1.66 C=C(F)CSc1ccco1 62a_100009814098_100000042424 [0,0,0,0,0,1|1,0,1]=3 795 B10R1.66 C=C(F)CSc1cccs1 62a_100000042424_100011215356 [0,0,0,0,0,1|1,1,1]=4 796 B10R1.66 C=C(F)CSc1cccs1 62a_100011215356_100000042424 [0,0,0,0,0,1|1,1,1]=4 797 B10R1.66 C=C(F)CSc1cnco1 62a_100000042424_100020591547 [0,0,0,0,0,1|2,0,1]=4 798 B10R1.66 C=C(F)CSc1cnco1 62a_100020591547_100000042424 [0,0,0,0,0,1|2,0,1]=4 799 B10R1.66 C=C(F)CSc1ncco1 62a_100000042424_100011787736 [0,0,0,0,0,1|2,0,1]=4 800 B10R1.66 C=C(F)CSc1ncco1 62a_100011787736_100000042424 [0,0,0,0,0,1|2,0,1]=4 801 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,1|2,0,1]=4 802 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,1|0,1,1]=3 803 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,0,1|2,0,1]=4 804 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,1|2,0,1]=4 805 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,1|2,0,1]=4 806 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,1|1,1,1]=4 807 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,0,0,0,0,1|2,0,1]=4 808 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,1|2,0,0]=3 809 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,1|2,0,0]=3 810 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,1|1,0,0]=2 811 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,1|0,0,0]=1 812 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,1|0,1,0]=2 813 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,1|0,1,0]=2 814 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,1|2,0,0]=3 815 B10R1.66 CC(=O)CCc1cn[nH]c1 1458a_100000070787_100000743252 [0,0,0,0,0,1|3,0,0]=4 816 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,1|2,0,0]=3 817 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,1|1,1,0]=3 818 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,1|2,0,0]=3 819 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,1|1,1,0]=3 820 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,0,1|2,0,0]=3 821 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,0,1|2,0,0]=3 822 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,1|2,0,0]=3 823 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,1|2,0,0]=3 824 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000070787_100000702546 [0,0,0,0,0,1|3,0,0]=4 825 B10R1.66 CC(=O)CCn1ccnc1 1458a_100000176952_200000210301 [0,0,0,0,0,1|3,0,0]=4 826 B10R1.66 CC(=O)CCn1ccnn1 1458a_100000741450_200000210301 [0,0,0,0,0,1|3,0,0]=4 827 B10R1.66 CC(=O)CCn1cncn1 1458a_100000070787_100000731791 [0,0,0,0,0,1|3,0,0]=4 828 B10R1.66 CC(=O)CCn1cncn1 1458a_100000242768_200000210301 [0,0,0,0,0,1|3,0,0]=4 829 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,1|2,0,0]=3 830 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,1|2,0,0]=3 831 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,1|2,0,0]=3 832 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [0,0,0,0,0,1|3,0,0]=4 833 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [0,0,0,0,0,1|3,0,0]=4 834 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [0,0,0,0,0,1|3,0,0]=4 835 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,1|2,0,0]=3 836 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,1|2,0,0]=3 837 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,1|2,0,0]=3 838 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,1|1,0,0]=2 839 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,1|1,0,0]=2 840 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,1|1,0,0]=2 841 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,1|0,0,0]=1 842 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,1|0,0,0]=1 843 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,1|0,0,0]=1 844 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,1|0,0,0]=1 845 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,1|0,1,0]=2 846 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,1|0,1,0]=2 847 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,1|0,1,0]=2 848 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,1|0,1,0]=2 849 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,0,1|2,0,0]=3 850 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,0,1|2,0,0]=3 851 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,0,1|2,0,0]=3 852 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,0,1|2,0,0]=3 853 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,1|2,0,0]=3 854 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,1|2,0,0]=3 855 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,1|2,0,0]=3 856 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,1|2,0,0]=3 857 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,1|2,0,0]=3 858 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,1|2,0,0]=3 859 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,1|2,0,0]=3 860 B10R1.66 CC(=O)NCc1cn[nH]c1 11a_100000737208_100015343762 [0,0,0,0,0,1|3,0,0]=4 861 B10R1.66 CC(=O)NCc1cn[nH]c1 240690a_100000737208_100015343762 [0,0,0,0,0,1|3,0,0]=4 862 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,1|1,0,0]=2 863 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,1|1,0,0]=2 864 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,1|1,0,0]=2 865 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,1|1,1,0]=3 866 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,1|1,1,0]=3 867 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,1|1,1,0]=3 868 B10R1.66 CC(=O)NCc1cnoc1 11a_100016995009_100015343762 [0,0,0,0,0,1|3,0,0]=4 869 B10R1.66 CC(=O)NCc1cnoc1 240690a_100016995009_100015343762 [0,0,0,0,0,1|3,0,0]=4 870 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,1|2,0,0]=3 871 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,1|2,0,0]=3 872 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,1|2,0,0]=3 873 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,1|2,0,0]=3 874 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,1|2,0,0]=3 875 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,1|2,0,0]=3 876 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,1|2,0,0]=3 877 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,1|2,0,0]=3 878 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,1|2,0,0]=3 879 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,1|2,0,0]=3 880 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,1|1,0,0]=2 881 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,1|1,0,0]=2 882 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,1|1,0,0]=2 883 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,1|1,0,0]=2 884 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,1|1,1,0]=3 885 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,1|1,1,0]=3 886 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,1|1,1,0]=3 887 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,1|1,1,0]=3 888 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [0,0,0,0,0,1|3,0,0]=4 889 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [0,0,0,0,0,1|3,0,0]=4 890 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [0,0,0,0,0,1|3,0,0]=4 891 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,0,0,1|2,0,1]=4 892 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,0,0,1|2,0,1]=4 893 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,1|2,1,0]=4 894 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,0,0,0,0,1|2,0,1]=4 895 B10R1.66 CC(C)C=Cc1ccco1 271570a_100016257149_100009814098 [0,0,0,0,0,1|1,0,2]=4 896 B10R1.66 CC(C)CSc1ccco1 62a_100000210624_100009814098 [0,0,0,0,0,1|1,0,1]=3 897 B10R1.66 CC(C)CSc1ccco1 62a_100009814098_100000210760 [0,0,0,0,0,1|1,0,1]=3 898 B10R1.66 CC(C)CSc1cccs1 62a_100000210624_100011215356 [0,0,0,0,0,1|1,1,1]=4 899 B10R1.66 CC(C)CSc1cccs1 62a_100011215356_100000210760 [0,0,0,0,0,1|1,1,1]=4 900 B10R1.66 CC(C)CSc1cnco1 62a_100000210624_100020591547 [0,0,0,0,0,1|2,0,1]=4 901 B10R1.66 CC(C)CSc1cnco1 62a_100020591547_100000210760 [0,0,0,0,0,1|2,0,1]=4 902 B10R1.66 CC(C)CSc1ncco1 62a_100000210624_100011787736 [0,0,0,0,0,1|2,0,1]=4 903 B10R1.66 CC(C)CSc1ncco1 62a_100011787736_100000210760 [0,0,0,0,0,1|2,0,1]=4 904 B10R1.66 CC(C)NCc1ccco1 207a_100138425928_100000186105 [0,0,0,0,0,1|1,0,1]=3 905 B10R1.66 CC(C)NCc1ccco1 2230a_100000185738_100000210206 [0,0,0,0,0,1|1,0,1]=3 906 B10R1.66 CC(C)NCc1ccco1 34a_100000185738_100000210206 [0,0,0,0,0,1|1,0,1]=3 907 B10R1.66 CC(C)NCc1cccs1 207a_100138425928_100000209959 [0,0,0,0,0,1|1,1,1]=4 908 B10R1.66 CC(C)NCc1cccs1 2230a_100000211653_100000210206 [0,0,0,0,0,1|1,1,1]=4 909 B10R1.66 CC(C)NCc1ncco1 2230a_100016994969_100000210206 [0,0,0,0,0,1|2,0,1]=4 910 B10R1.66 CC(C)NCc1ncco1 2230a_100138425928_103436540062 [0,0,0,0,0,1|2,0,1]=4 911 B10R1.66 CC(C)NCc1ncco1 34a_100138425928_103436540062 [0,0,0,0,0,1|2,0,1]=4 912 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,0,0,1|1,0,1]=3 913 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,0,0,0,0,1|1,1,1]=4 914 B10R1.66 CC(C)OCc1ccno1 34a_100000740478_100000210206 [0,0,0,0,0,1|2,0,1]=4 915 B10R1.66 CC(C)OCc1ncco1 34a_100000062594_100000210206 [0,0,0,0,0,1|2,0,1]=4 916 B10R1.66 CC(C)OCc1ncco1 34a_100000212225_103436540062 [0,0,0,0,0,1|2,0,1]=4 917 B10R1.66 CC(C)SCc1ncco1 62a_100000210206_103436540062 [0,0,0,0,0,1|2,0,1]=4 918 B10R1.66 CC(C)SCc1ncco1 62a_103436540062_100000210206 [0,0,0,0,0,1|2,0,1]=4 919 B10R1.66 CC(O)C=Cc1ccco1 271570a_200011019289_100009814098 [0,0,0,0,0,1|0,0,3]=4 920 B10R1.66 CC(O)CSc1ccco1 62a_100009814098_100011218427 [0,0,0,0,0,1|0,0,2]=3 921 B10R1.66 CC(O)CSc1ccco1 62a_100011218427_100009814098 [0,0,0,0,0,1|0,0,2]=3 922 B10R1.66 CC(O)CSc1cccs1 62a_100011215356_100011218427 [0,0,0,0,0,1|0,1,2]=4 923 B10R1.66 CC(O)CSc1cccs1 62a_100011218427_100011215356 [0,0,0,0,0,1|0,1,2]=4 924 B10R1.66 CC(O)CSc1cnco1 62a_100011218427_100020591547 [0,0,0,0,0,1|1,0,2]=4 925 B10R1.66 CC(O)CSc1cnco1 62a_100020591547_100011218427 [0,0,0,0,0,1|1,0,2]=4 926 B10R1.66 CC(O)CSc1ncco1 62a_100011218427_100011787736 [0,0,0,0,0,1|1,0,2]=4 927 B10R1.66 CC(O)CSc1ncco1 62a_100011787736_100011218427 [0,0,0,0,0,1|1,0,2]=4 928 B10R1.66 CN(C)CCc1cccs1 2230a_100102631434_100000748579 [0,0,0,0,0,1|2,1,0]=4 929 B10R1.66 CN(C)CCc1cccs1 269982a_100102631434_100000748579 [0,0,0,0,0,1|2,1,0]=4 930 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009814098_100009817552 [0,0,0,0,0,1|0,0,2]=3 931 B10R1.66 C[C@@H](O)CSc1ccco1 62a_100009817552_100009814098 [0,0,0,0,0,1|0,0,2]=3 932 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100009817552_100011215356 [0,0,0,0,0,1|0,1,2]=4 933 B10R1.66 C[C@@H](O)CSc1cccs1 62a_100011215356_100009817552 [0,0,0,0,0,1|0,1,2]=4 934 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100009817552_100020591547 [0,0,0,0,0,1|1,0,2]=4 935 B10R1.66 C[C@@H](O)CSc1cnco1 62a_100020591547_100009817552 [0,0,0,0,0,1|1,0,2]=4 936 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100009817552_100011787736 [0,0,0,0,0,1|1,0,2]=4 937 B10R1.66 C[C@@H](O)CSc1ncco1 62a_100011787736_100009817552 [0,0,0,0,0,1|1,0,2]=4 938 B10R1.66 FC(F)CSc1ccco1 62a_100009814098_100011934356 [0,0,0,0,0,1|2,0,1]=4 939 B10R1.66 FC(F)CSc1ccco1 62a_100011934356_100009814098 [0,0,0,0,0,1|2,0,1]=4 940 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,0,0,0,0,1|3,0,0]=4 941 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,0,0,0,0,1|3,0,0]=4 942 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000747473_100000756875 [0,0,0,0,0,1|3,0,0]=4 943 B10R1.66 NC(=O)CSc1c[nH]cn1 62a_100000756875_100000747473 [0,0,0,0,0,1|3,0,0]=4 944 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000062575_100000747473 [0,0,0,0,0,1|3,0,0]=4 945 B10R1.66 NC(=O)CSc1cc[nH]n1 62a_100000747473_100000062575 [0,0,0,0,0,1|3,0,0]=4 946 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,1|1,0,0]=2 947 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,1|1,0,0]=2 948 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,1|1,1,0]=3 949 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,1|1,1,0]=3 950 B10R1.66 NC(=O)CSc1ccoc1 62a_100000747473_100011215275 [0,0,0,0,0,1|3,0,0]=4 951 B10R1.66 NC(=O)CSc1ccoc1 62a_100011215275_100000747473 [0,0,0,0,0,1|3,0,0]=4 952 B10R1.66 NC(=O)CSc1ccon1 62a_100000747473_100009818083 [0,0,0,0,0,1|3,0,0]=4 953 B10R1.66 NC(=O)CSc1ccon1 62a_100009818083_100000747473 [0,0,0,0,0,1|3,0,0]=4 954 B10R1.66 NC(=O)CSc1ccsc1 62a_100000738268_100000747473 [0,0,0,0,0,1|3,0,0]=4 955 B10R1.66 NC(=O)CSc1ccsc1 62a_100000747473_100000738268 [0,0,0,0,0,1|3,0,0]=4 956 B10R1.66 NC(=O)CSc1ccsn1 62a_100000747473_100009818082 [0,0,0,0,0,1|3,0,0]=4 957 B10R1.66 NC(=O)CSc1ccsn1 62a_100009818082_100000747473 [0,0,0,0,0,1|3,0,0]=4 958 B10R1.66 NC(=O)CSc1cnco1 62a_100000747473_100020591547 [0,0,0,0,0,1|2,0,0]=3 959 B10R1.66 NC(=O)CSc1cnco1 62a_100020591547_100000747473 [0,0,0,0,0,1|2,0,0]=3 960 B10R1.66 NC(=O)CSc1cncs1 62a_100000747473_100011934649 [0,0,0,0,0,1|2,1,0]=4 961 B10R1.66 NC(=O)CSc1cncs1 62a_100011934649_100000747473 [0,0,0,0,0,1|2,1,0]=4 962 B10R1.66 NC(=O)CSc1cscn1 62a_100000747473_100000751502 [0,0,0,0,0,1|3,0,0]=4 963 B10R1.66 NC(=O)CSc1cscn1 62a_100000751502_100000747473 [0,0,0,0,0,1|3,0,0]=4 964 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,0,1|3,0,0]=4 965 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,0,1|3,0,0]=4 966 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,0,1|2,0,0]=3 967 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,0,1|2,0,0]=3 968 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,0,0,0,0,1|2,1,0]=4 969 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,0,0,0,0,1|2,1,0]=4 970 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,0,0,0,0,1|3,0,0]=4 971 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100000756875_100020667443 [0,0,0,0,0,1|3,0,0]=4 972 B10R1.66 O=C([O-])CSc1c[nH]cn1 62a_100020667443_100000756875 [0,0,0,0,0,1|3,0,0]=4 973 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100000062575_100020667443 [0,0,0,0,0,1|3,0,0]=4 974 B10R1.66 O=C([O-])CSc1cc[nH]n1 62a_100020667443_100000062575 [0,0,0,0,0,1|3,0,0]=4 975 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,1|1,0,0]=2 976 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,1|1,0,0]=2 977 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,1|1,1,0]=3 978 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,1|1,1,0]=3 979 B10R1.66 O=C([O-])CSc1ccoc1 62a_100011215275_100020667443 [0,0,0,0,0,1|3,0,0]=4 980 B10R1.66 O=C([O-])CSc1ccoc1 62a_100020667443_100011215275 [0,0,0,0,0,1|3,0,0]=4 981 B10R1.66 O=C([O-])CSc1ccon1 62a_100009818083_100020667443 [0,0,0,0,0,1|3,0,0]=4 982 B10R1.66 O=C([O-])CSc1ccon1 62a_100020667443_100009818083 [0,0,0,0,0,1|3,0,0]=4 983 B10R1.66 O=C([O-])CSc1ccsc1 62a_100000738268_100020667443 [0,0,0,0,0,1|3,0,0]=4 984 B10R1.66 O=C([O-])CSc1ccsc1 62a_100020667443_100000738268 [0,0,0,0,0,1|3,0,0]=4 985 B10R1.66 O=C([O-])CSc1ccsn1 62a_100009818082_100020667443 [0,0,0,0,0,1|3,0,0]=4 986 B10R1.66 O=C([O-])CSc1ccsn1 62a_100020667443_100009818082 [0,0,0,0,0,1|3,0,0]=4 987 B10R1.66 O=C([O-])CSc1cnco1 62a_100020591547_100020667443 [0,0,0,0,0,1|2,0,0]=3 988 B10R1.66 O=C([O-])CSc1cnco1 62a_100020667443_100020591547 [0,0,0,0,0,1|2,0,0]=3 989 B10R1.66 O=C([O-])CSc1cncs1 62a_100011934649_100020667443 [0,0,0,0,0,1|2,1,0]=4 990 B10R1.66 O=C([O-])CSc1cncs1 62a_100020667443_100011934649 [0,0,0,0,0,1|2,1,0]=4 991 B10R1.66 O=C([O-])CSc1cscn1 62a_100000751502_100020667443 [0,0,0,0,0,1|3,0,0]=4 992 B10R1.66 O=C([O-])CSc1cscn1 62a_100020667443_100000751502 [0,0,0,0,0,1|3,0,0]=4 993 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,0,1|3,0,0]=4 994 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,0,1|3,0,0]=4 995 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,0,1|2,0,0]=3 996 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,0,1|2,0,0]=3 997 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [0,0,0,0,0,1|2,1,0]=4 998 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [0,0,0,0,0,1|2,1,0]=4 999 B10R1.66 O=[N+]([O-])CSc1ccco1 62a_100009814098_100000761209 [0,0,0,0,0,1|2,0,0]=3 1000 B10R1.66 O=[N+]([O-])CSc1cccs1 62a_100011215356_100000761209 [0,0,0,0,0,1|2,1,0]=4 1001 B10R1.66 O=[N+]([O-])CSc1cnco1 62a_100020591547_100000761209 [0,0,0,0,0,1|3,0,0]=4 1002 B10R1.66 O=[N+]([O-])CSc1ncco1 62a_100011787736_100000761209 [0,0,0,0,0,1|3,0,0]=4 1003 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,1|2,0,1]=4 1004 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,1|0,1,1]=3 1005 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,0,1|2,0,1]=4 1006 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,1|2,0,1]=4 1007 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,1|2,0,1]=4 1008 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,1|1,1,1]=4 1009 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,1|2,0,0]=3 1010 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,1|1,0,0]=2 1011 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,1|0,0,0]=1 1012 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,1|0,1,0]=2 1013 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,1|2,0,0]=3 1014 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,1|2,0,0]=3 1015 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,1|1,1,0]=3 1016 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,1|2,0,0]=3 1017 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,1|1,1,0]=3 1018 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,0,1|2,0,0]=3 1019 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,1|2,0,0]=3 1020 B10R1.66 [13CH3]C(=O)CCn1ccnc1 1458a_100000176952_200025704644 [0,0,0,0,0,1|3,0,0]=4 1021 B10R1.66 [13CH3]C(=O)CCn1ccnn1 1458a_100000741450_200025704644 [0,0,0,0,0,1|3,0,0]=4 1022 B10R1.66 [13CH3]C(=O)CCn1cncn1 1458a_100000242768_200025704644 [0,0,0,0,0,1|3,0,0]=4 1023 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [1,0,1,0,0,0|1,0,1]=4 1024 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,0,1,0,0,0|1,0,1]=4 1025 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,0,1,0,0,0|1,0,1]=4 1026 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,0,1,0,0,0|1,0,1]=4 1027 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,0,1,0,0,0|0,0,2]=4 1028 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,0,1,0,0,0|0,0,2]=4 1029 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,1,0,0,0|1,0,1]=4 1030 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,1,0,0,0|1,0,1]=4 1031 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,1,0,0,0|1,0,1]=4 1032 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|1,0,0]=3 1033 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|1,0,0]=3 1034 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,1,0,0,0|0,0,2]=4 1035 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,1,0,0,0|0,0,2]=4 1036 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,1,0,0,0|0,0,2]=4 1037 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,0,1,0,0,0|1,0,1]=4 1038 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,0,1,0,0,0|1,0,1]=4 1039 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,1,0,0,0|0,0,1]=3 1040 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,0,1,0,0,0|1,0,1]=4 1041 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,0,1,0,0,0|1,0,1]=4 1042 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,1,0,0,0|0,1,1]=4 1043 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,1,0,0,0|0,1,1]=4 1044 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,1,0,0,0|0,0,1]=3 1045 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,1,0,0,0|1,0,1]=4 1046 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,1,0,0,0|0,0,2]=4 1047 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,1,0,0,0|0,0,2]=4 1048 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,1,0,0,0|0,0,2]=4 1049 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,0,1,0,0,0|2,0,0]=4 1050 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,0,1,0,0,0|2,0,0]=4 1051 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,0,1,0,0,0|2,0,0]=4 1052 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,0,1,0,0,0|2,0,0]=4 1053 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,0,1,0,0,0|2,0,0]=4 1054 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,0,1,0,0,0|2,0,0]=4 1055 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,0,1,0,0,0|2,0,0]=4 1056 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,1,0,0,0|2,0,0]=4 1057 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,1,0,0,0|2,0,0]=4 1058 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|0,0,1]=3 1059 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|0,1,1]=4 1060 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [2,0,0,0,0,0|1,0,1]=4 1061 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [2,0,0,0,0,0|1,0,1]=4 1062 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [2,0,0,0,0,0|1,0,0]=3 1063 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [2,0,0,0,0,0|1,0,0]=3 1064 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|1,1,0]=4 1065 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|1,1,0]=4 1066 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [2,0,0,0,0,0|2,0,0]=4 1067 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [2,0,0,0,0,0|2,0,0]=4 1068 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [2,0,0,0,0,0|2,0,0]=4 1069 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [2,0,0,0,0,0|2,0,0]=4 1070 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [2,0,0,0,0,0|1,0,0]=3 1071 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [2,0,0,0,0,0|1,0,0]=3 1072 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|1,1,0]=4 1073 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|1,1,0]=4 1074 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [2,0,0,0,0,0|2,0,0]=4 1075 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [2,0,0,0,0,0|2,0,0]=4 1076 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [2,0,0,0,0,0|2,0,0]=4 1077 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [2,0,0,0,0,0|2,0,0]=4 1078 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,1,0,0,0|0,0,2]=4 1079 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,1,1,0,0,0|1,0,1]=4 1080 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,1,1,0,0,0|1,0,1]=4 1081 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,1,1,0,0,0|1,0,1]=4 1082 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,1,1,0,0,0|0,0,2]=4 1083 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,1,0,0,0|1,0,0]=3 1084 B9R0.6 C=CCC(=O)C(C)C(=O)C 1458a_100000210193_100000179758 [0,1,1,0,0,0|0,0,2]=4 1085 B9R0.6 CC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000179758 [0,1,1,0,0,0|1,0,1]=4 1086 B9R0.6 CC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000179758 [0,1,1,0,0,0|1,0,1]=4 1087 B9R0.6 CC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000179758 [0,1,1,0,0,0|1,0,1]=4 1088 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,1,0,0,0|0,0,2]=4 1089 B9R0.34 C#CC(=O)CC(=O)OC=C 1458a_100000211873_100000036128 [0,1,1,0,0,0|1,0,1]=4 1090 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,1,1,0,0,0|0,0,2]=4 1091 B9R0.34 C=CCC(=O)CC(=O)NC 1458a_100000210193_100000183359 [0,1,1,0,0,0|0,0,2]=4 1092 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,1,0,0,0|0,0,2]=4 1093 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,1,0,0,0|0,0,2]=4 1094 B9R0.34 C=COC(=O)CC(=O)C=C 1458a_100000185746_100000036128 [0,1,1,0,0,0|1,0,1]=4 1095 B9R0.34 C=COC(=O)CC(=O)CC 1458a_100000210414_100000036128 [0,1,1,0,0,0|1,0,0]=3 1096 B9R0.34 C=COC(=O)CC(=O)CO 1458a_100000210174_100000036128 [0,1,1,0,0,0|1,0,0]=3 1097 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,1,0,0,0|0,0,2]=4 1098 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,1,1,0,0,0|0,0,2]=4 1099 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,1,0,0,0|0,0,2]=4 1100 B9R0.34 CCC(=O)CC(=O)C=CBr 1458a_100016273825_100000747405 [0,1,1,0,0,0|1,0,1]=4 1101 B9R0.34 CCC(=O)CC(=O)C=CCl 1458a_200016279998_100000747405 [0,1,1,0,0,0|1,0,1]=4 1102 B9R0.34 CCC(=O)CC(=O)C=CI 1458a_100016256311_100000747405 [0,1,1,0,0,0|1,0,1]=4 1103 B9R0.34 CNC(=O)CC(=O)C=CBr 1458a_100016273825_100000183359 [0,1,1,0,0,0|1,0,1]=4 1104 B9R0.34 CNC(=O)CC(=O)C=CCl 1458a_200016279998_100000183359 [0,1,1,0,0,0|1,0,1]=4 1105 B9R0.34 CNC(=O)CC(=O)C=CI 1458a_100016256311_100000183359 [0,1,1,0,0,0|1,0,1]=4 1106 B9R0.34 COC(=O)CC(=O)C=CBr 1458a_100016273825_100000747449 [0,1,1,0,0,0|1,0,1]=4 1107 B9R0.34 COC(=O)CC(=O)C=CCl 1458a_200016279998_100000747449 [0,1,1,0,0,0|1,0,1]=4 1108 B9R0.34 COC(=O)CC(=O)C=CI 1458a_100016256311_100000747449 [0,1,1,0,0,0|1,0,1]=4 1109 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,1,0,0,0|1,0,1]=4 1110 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,1,1,0,0,0|0,0,1]=3 1111 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,1,1,0,0,0|0,0,1]=3 1112 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,1,1,0,0,0|0,0,1]=3 1113 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,1,0,0,0|0,0,2]=4 1114 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,1,0,0,0|0,0,2]=4 1115 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,1,0,0,0|0,0,2]=4 1116 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,1,0,0,0|0,0,2]=4 1117 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,1,0,0,0|0,0,2]=4 1118 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,1,0,0,0|0,0,2]=4 1119 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,1,0,0,0|0,0,2]=4 1120 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,1,1,0,0,0|0,0,2]=4 1121 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,1,1,0,0,0|0,0,2]=4 1122 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,1,0,0,0|0,0,2]=4 1123 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,1,0,0,0|0,0,2]=4 1124 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,1,0,0,0|0,0,2]=4 1125 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,1,1,0,0,0|0,0,2]=4 1126 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,1,1,0,0,0|0,0,2]=4 1127 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,1,1,0,0,0|0,0,2]=4 1128 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,1,1,0,0,0|0,0,2]=4 1129 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,1,1,0,0,0|0,0,2]=4 1130 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,1,1,0,0,0|0,0,2]=4 1131 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,1,1,0,0,0|0,0,2]=4 1132 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,1,0,0,0|0,0,2]=4 1133 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,1,1,0,0,0|0,0,2]=4 1134 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,1,1,0,0,0|0,0,2]=4 1135 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,1,1,0,0,0|0,0,2]=4 1136 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,1,1,0,0,0|0,0,2]=4 1137 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [0,1,1,0,0,0|0,0,2]=4 1138 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [0,1,1,0,0,0|0,0,2]=4 1139 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,1,0,0,0,0|0,1,1]=4 1140 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,1,0,0,0,0|0,1,1]=4 1141 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,0,0|0,1,1]=4 1142 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,1,0,0,0,0|0,1,1]=4 1143 B9R1.7 CNCc1cc(c[nH]1)Br 270004a_106832991635_100000720742 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.7 CNCc1cc(co1)Br 270004a_106832991635_100000747035 [1,1,0,0,0,0|1,0,0]=3 1145 B9R1.7 CNCc1cc(cs1)Br 207a_100102657272_100000211722 [1,1,0,0,0,0|1,1,0]=4 1146 B9R1.7 CNCc1cc(cs1)Br 2230a_100000741024_200000210301 [1,1,0,0,0,0|1,1,0]=4 1147 B9R1.7 CNCc1cc(cs1)Br 2230a_106832991635_100000746031 [1,1,0,0,0,0|1,1,0]=4 1148 B9R1.7 CNCc1cc(cs1)Br 270004a_106832991635_100000211722 [1,1,0,0,0,0|1,1,0]=4 1149 B9R1.7 CNCc1cc(cs1)Br 34a_100000741024_200000210301 [1,1,0,0,0,0|1,1,0]=4 1150 B9R1.7 CNCc1cc(cs1)Br 34a_100102657272_100000746031 [1,1,0,0,0,0|1,1,0]=4 1151 B9R1.7 CNCc1cc(cs1)Br 7a_106832991635_100000746031 [1,1,0,0,0,0|1,1,0]=4 1152 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [1,1,0,0,0,0|1,1,0]=4 1153 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [1,1,0,0,0,0|1,1,0]=4 1154 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [1,1,0,0,0,0|1,1,0]=4 1155 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [1,1,0,0,0,0|1,1,0]=4 1156 B9R1.7 CNCc1cc(cs1)Cl 207a_100102657272_100000102487 [1,1,0,0,0,0|1,1,0]=4 1157 B9R1.7 CNCc1cc(cs1)Cl 270004a_106832991635_100000102487 [1,1,0,0,0,0|1,1,0]=4 1158 B9R1.7 CNCc1cc(cs1)I 207a_100102657272_100010179861 [1,1,0,0,0,0|1,1,0]=4 1159 B9R1.7 CNCc1cc(cs1)O 271570a_203496583355_100000207611 [1,1,0,0,0,0|1,1,0]=4 1160 B9R1.7 CNCc1cc(no1)Br 2230a_100015193020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1161 B9R1.7 CNCc1cc(no1)Br 270004a_106832991635_100009819588 [1,1,0,0,0,0|2,0,0]=4 1162 B9R1.7 CNCc1cc(no1)Br 34a_100015193020_200000210301 [1,1,0,0,0,0|2,0,0]=4 1163 B9R1.7 CNCc1cc(no1)Br 7a_106832991635_100000709089 [1,1,0,0,0,0|2,0,0]=4 1164 B9R1.7 CNCc1cc(no1)C 207a_100102657272_100011794430 [1,1,0,0,0,0|2,0,0]=4 1165 B9R1.7 CNCc1cc(no1)C 2230a_100000745748_200000210301 [1,1,0,0,0,0|2,0,0]=4 1166 B9R1.7 CNCc1cc(no1)C 2230a_106832991635_100000707947 [1,1,0,0,0,0|2,0,0]=4 1167 B9R1.7 CNCc1cc(no1)C 270004a_106832991635_100011794430 [1,1,0,0,0,0|2,0,0]=4 1168 B9R1.7 CNCc1cc(no1)C 34a_100000745748_200000210301 [1,1,0,0,0,0|2,0,0]=4 1169 B9R1.7 CNCc1cc(no1)C 34a_100102657272_100000707947 [1,1,0,0,0,0|2,0,0]=4 1170 B9R1.7 CNCc1cc(no1)C 7a_106832991635_100000707947 [1,1,0,0,0,0|2,0,0]=4 1171 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [1,1,0,0,0,0|1,0,0]=3 1172 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [1,1,0,0,0,0|1,0,0]=3 1173 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [1,1,0,0,0,0|1,0,0]=3 1174 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [1,1,0,0,0,0|1,0,0]=3 1175 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [1,1,0,0,0,0|1,0,0]=3 1176 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [1,1,0,0,0,0|1,0,0]=3 1177 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [1,1,0,0,0,0|1,0,0]=3 1178 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [1,1,0,0,0,0|1,0,0]=3 1179 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [1,1,0,0,0,0|1,0,0]=3 1180 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [1,1,0,0,0,0|1,0,0]=3 1181 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [1,1,0,0,0,0|1,1,0]=4 1182 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [1,1,0,0,0,0|1,1,0]=4 1183 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [1,1,0,0,0,0|1,1,0]=4 1184 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [1,1,0,0,0,0|1,1,0]=4 1185 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [1,1,0,0,0,0|1,1,0]=4 1186 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [1,1,0,0,0,0|1,1,0]=4 1187 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [1,1,0,0,0,0|1,1,0]=4 1188 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [1,1,0,0,0,0|1,1,0]=4 1189 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [1,1,0,0,0,0|1,1,0]=4 1190 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [1,1,0,0,0,0|1,1,0]=4 1191 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [1,1,0,0,0,0|1,1,0]=4 1192 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [1,1,0,0,0,0|1,1,0]=4 1193 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [1,1,0,0,0,0|1,1,0]=4 1194 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [1,1,0,0,0,0|1,1,0]=4 1195 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [1,1,0,0,0,0|2,0,0]=4 1196 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [1,1,0,0,0,0|2,0,0]=4 1197 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 1198 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [1,1,0,0,0,0|2,0,0]=4 1199 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [1,1,0,0,0,0|1,1,0]=4 1200 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [1,1,0,0,0,0|1,1,0]=4 1201 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [1,1,0,0,0,0|1,1,0]=4 1202 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [1,1,0,0,0,0|1,1,0]=4 1203 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [1,1,0,0,0,0|1,1,0]=4 1204 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [1,1,0,0,0,0|1,1,0]=4 1205 B9R1.7 COCc1cc(no1)Br 34a_100009816691_200000210301 [1,1,0,0,0,0|2,0,0]=4 1206 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1207 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [1,1,0,0,0,0|2,0,0]=4 1208 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [1,1,0,0,0,0|1,0,0]=3 1209 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [1,1,0,0,0,0|1,0,0]=3 1210 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [1,1,0,0,0,0|1,0,0]=3 1211 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [1,1,0,0,0,0|1,0,0]=3 1212 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [1,1,0,0,0,0|1,1,0]=4 1213 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,1,0,0,0,0|1,1,0]=4 1214 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [1,1,0,0,0,0|1,1,0]=4 1215 B9R1.7 CSCc1cc(cs1)Br 62a_100000746031_200000210301 [1,1,0,0,0,0|1,1,0]=4 1216 B9R1.7 CSCc1cc(cs1)Br 62a_200000210301_100000746031 [1,1,0,0,0,0|1,1,0]=4 1217 B9R1.7 CSCc1cc(no1)Br 62a_100000709089_200000210301 [1,1,0,0,0,0|2,0,0]=4 1218 B9R1.7 CSCc1cc(no1)Br 62a_200000210301_100000709089 [1,1,0,0,0,0|2,0,0]=4 1219 B9R1.7 CSCc1cc(no1)C 62a_100000707947_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B9R1.7 CSCc1cc(no1)C 62a_200000210301_100000707947 [1,1,0,0,0,0|2,0,0]=4 1221 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [1,1,0,0,0,0|1,1,0]=4 1222 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [1,1,0,0,0,0|1,1,0]=4 1223 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|1,1,0]=4 1224 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|1,1,0]=4 1225 B9R1.7 Cc1cc(on1)CN[13CH3] 2230a_100000745748_200025704644 [1,1,0,0,0,0|2,0,0]=4 1226 B9R1.7 Cc1cc(on1)CN[13CH3] 34a_100000745748_200025704644 [1,1,0,0,0,0|2,0,0]=4 1227 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1228 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_100000707947_200025704644 [1,1,0,0,0,0|2,0,0]=4 1229 B9R1.7 Cc1cc(on1)CS[13CH3] 62a_200025704644_100000707947 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [1,1,0,0,0,0|1,0,0]=3 1231 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [1,1,0,0,0,0|1,0,0]=3 1232 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [1,1,0,0,0,0|1,0,0]=3 1233 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [1,1,0,0,0,0|1,1,0]=4 1234 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,1,0,0,0,0|1,1,0]=4 1235 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [1,1,0,0,0,0|1,1,0]=4 1238 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [1,1,0,0,0,0|1,1,0]=4 1239 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [1,1,0,0,0,0|1,1,0]=4 1240 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [1,1,0,0,0,0|1,1,0]=4 1241 B9R1.7 [13CH3]NCc1cc(cs1)Br 2230a_100000741024_200025704644 [1,1,0,0,0,0|1,1,0]=4 1242 B9R1.7 [13CH3]NCc1cc(cs1)Br 34a_100000741024_200025704644 [1,1,0,0,0,0|1,1,0]=4 1243 B9R1.7 [13CH3]NCc1cc(no1)Br 2230a_100015193020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1244 B9R1.7 [13CH3]NCc1cc(no1)Br 34a_100015193020_200025704644 [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [1,1,0,0,0,0|1,0,0]=3 1246 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [1,1,0,0,0,0|1,1,0]=4 1247 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [1,1,0,0,0,0|1,1,0]=4 1248 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [1,1,0,0,0,0|1,1,0]=4 1249 B9R1.7 [13CH3]OCc1cc(no1)Br 34a_100009816691_200025704644 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [1,1,0,0,0,0|1,0,0]=3 1251 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [1,1,0,0,0,0|1,0,0]=3 1252 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_100000746031_200025704644 [1,1,0,0,0,0|1,1,0]=4 1253 B9R1.7 [13CH3]SCc1cc(cs1)Br 62a_200025704644_100000746031 [1,1,0,0,0,0|1,1,0]=4 1254 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_100000709089_200025704644 [1,1,0,0,0,0|2,0,0]=4 1255 B9R1.7 [13CH3]SCc1cc(no1)Br 62a_200025704644_100000709089 [1,1,0,0,0,0|2,0,0]=4 1256 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [1,1,0,0,0,0|1,1,0]=4 1257 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [1,1,0,0,0,0|1,1,0]=4 1258 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|1,1,0]=4 1259 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|1,1,0]=4 1260 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [1,1,0,0,0,0|1,1,0]=4 1261 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [1,1,0,0,0,0|1,1,0]=4 1263 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [1,1,0,0,0,0|1,1,0]=4 1264 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,1,0,0,0,0|1,0,0]=3 1265 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,1,0,0,0,0|1,0,0]=3 1266 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,1,0,0,0,0|1,0,0]=3 1267 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,1,0,0,0,0|1,1,0]=4 1268 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,1,0,0,0,0|1,0,0]=3 1269 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,1,0,0,0,0|1,1,0]=4 1270 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,1,0,0,0,0|1,0,0]=3 1271 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,1,0,0,0,0|1,0,0]=3 1272 B9R1.12 C#CCSc1ccco1 62a_100000038162_100009814098 [1,1,0,0,0,0|0,0,2]=4 1273 B9R1.12 C=CCSc1ccco1 62a_100000210623_100009814098 [1,1,0,0,0,0|0,0,1]=3 1274 B9R1.12 C=CCSc1ccco1 62a_100009814098_100000210623 [1,1,0,0,0,0|0,0,1]=3 1275 B9R1.12 C=CCSc1cccs1 62a_100000210623_100011215356 [1,1,0,0,0,0|0,1,1]=4 1276 B9R1.12 C=CCSc1cccs1 62a_100011215356_100000210623 [1,1,0,0,0,0|0,1,1]=4 1277 B9R1.12 C=CCSc1cnco1 62a_100000210623_100020591547 [1,1,0,0,0,0|1,0,1]=4 1278 B9R1.12 C=CCSc1cnco1 62a_100020591547_100000210623 [1,1,0,0,0,0|1,0,1]=4 1279 B9R1.12 C=CCSc1ncco1 62a_100000210623_100011787736 [1,1,0,0,0,0|1,0,1]=4 1280 B9R1.12 C=CCSc1ncco1 62a_100011787736_100000210623 [1,1,0,0,0,0|1,0,1]=4 1281 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,1,0,0,0,0|0,0,1]=3 1282 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,1,0,0,0,0|0,1,1]=4 1283 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,1,0,0,0,0|1,0,1]=4 1284 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [1,1,0,0,0,0|1,0,1]=4 1285 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [1,1,0,0,0,0|0,0,1]=3 1286 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [1,1,0,0,0,0|0,0,1]=3 1287 B9R1.12 CCCSc1cccs1 62a_100000210303_100011215356 [1,1,0,0,0,0|0,1,1]=4 1288 B9R1.12 CCCSc1cccs1 62a_100011215356_100000210303 [1,1,0,0,0,0|0,1,1]=4 1289 B9R1.12 CCCSc1cnco1 62a_100000210303_100020591547 [1,1,0,0,0,0|1,0,1]=4 1290 B9R1.12 CCCSc1cnco1 62a_100020591547_100000210303 [1,1,0,0,0,0|1,0,1]=4 1291 B9R1.12 CCCSc1ncco1 62a_100000210303_100011787736 [1,1,0,0,0,0|1,0,1]=4 1292 B9R1.12 CCCSc1ncco1 62a_100011787736_100000210303 [1,1,0,0,0,0|1,0,1]=4 1293 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [1,1,0,0,0,0|0,0,1]=3 1294 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [1,1,0,0,0,0|0,0,1]=3 1295 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [1,1,0,0,0,0|0,0,1]=3 1296 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [1,1,0,0,0,0|0,0,1]=3 1297 B9R1.12 CCNCc1cccs1 207a_100015525214_100000209959 [1,1,0,0,0,0|0,1,1]=4 1298 B9R1.12 CCNCc1cccs1 2230a_100000211653_100000210202 [1,1,0,0,0,0|0,1,1]=4 1299 B9R1.12 CCNCc1cccs1 270004a_100015525214_100000209959 [1,1,0,0,0,0|0,1,1]=4 1300 B9R1.12 CCNCc1cnco1 270004a_100015525214_100000064291 [1,1,0,0,0,0|1,0,1]=4 1301 B9R1.12 CCNCc1ncco1 2230a_100015525214_103436540062 [1,1,0,0,0,0|1,0,1]=4 1302 B9R1.12 CCNCc1ncco1 2230a_100016994969_100000210202 [1,1,0,0,0,0|1,0,1]=4 1303 B9R1.12 CCNCc1ncco1 270004a_100015525214_100000064290 [1,1,0,0,0,0|1,0,1]=4 1304 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,1,0,0,0,0|0,0,1]=3 1305 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,1,0,0,0,0|0,1,1]=4 1306 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [1,1,0,0,0,0|1,0,1]=4 1307 B9R1.12 CCOCc1ncco1 34a_100000062594_100000210202 [1,1,0,0,0,0|1,0,1]=4 1308 B9R1.12 CCOCc1ncco1 34a_100121572206_103436540062 [1,1,0,0,0,0|1,0,1]=4 1309 B9R1.12 CCSCc1ncco1 62a_100000210202_103436540062 [1,1,0,0,0,0|1,0,1]=4 1310 B9R1.12 CCSCc1ncco1 62a_103436540062_100000210202 [1,1,0,0,0,0|1,0,1]=4 1311 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,1,0,0,0,0|0,0,1]=3 1312 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,1,0,0,0,0|0,0,1]=3 1313 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,1,0,0,0,0|0,1,1]=4 1314 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,1,0,0,0,0|0,1,1]=4 1315 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,1,0,0,0,0|0,1,1]=4 1316 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,1,0,0,0,0|0,1,1]=4 1317 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,1,0,0,0,0|0,1,1]=4 1318 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,1,0,0,0,0|0,1,1]=4 1319 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,1,0,0,0,0|0,1,1]=4 1320 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,1,0,0,0,0|0,1,1]=4 1321 B9R1.12 COCSc1ccco1 62a_100000766300_100009814098 [1,1,0,0,0,0|1,0,0]=3 1322 B9R1.12 COCSc1ccco1 62a_100009814098_100000766300 [1,1,0,0,0,0|1,0,0]=3 1323 B9R1.12 COCSc1cccs1 62a_100000766300_100011215356 [1,1,0,0,0,0|1,1,0]=4 1324 B9R1.12 COCSc1cccs1 62a_100011215356_100000766300 [1,1,0,0,0,0|1,1,0]=4 1325 B9R1.12 COCSc1cnco1 62a_100000766300_100020591547 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.12 COCSc1cnco1 62a_100020591547_100000766300 [1,1,0,0,0,0|2,0,0]=4 1327 B9R1.12 COCSc1ncco1 62a_100000766300_100011787736 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.12 COCSc1ncco1 62a_100011787736_100000766300 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,1,0,0,0,0|0,1,1]=4 1330 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,1,0,0,0,0|0,1,1]=4 1331 B9R1.12 CSCSc1ccco1 62a_100009814098_100011218213 [1,1,0,0,0,0|1,0,0]=3 1332 B9R1.12 CSCSc1ccco1 62a_100011218213_100009814098 [1,1,0,0,0,0|1,0,0]=3 1333 B9R1.12 CSCSc1cccs1 62a_100011215356_100011218213 [1,1,0,0,0,0|1,1,0]=4 1334 B9R1.12 CSCSc1cccs1 62a_100011218213_100011215356 [1,1,0,0,0,0|1,1,0]=4 1335 B9R1.12 CSCSc1cnco1 62a_100011218213_100020591547 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.12 CSCSc1cnco1 62a_100020591547_100011218213 [1,1,0,0,0,0|2,0,0]=4 1337 B9R1.12 CSCSc1ncco1 62a_100011218213_100011787736 [1,1,0,0,0,0|2,0,0]=4 1338 B9R1.12 CSCSc1ncco1 62a_100011787736_100011218213 [1,1,0,0,0,0|2,0,0]=4 1339 B9R1.12 FCCSc1ccco1 62a_100009814098_100011217306 [1,1,0,0,0,0|1,0,1]=4 1340 B9R1.12 FCCSc1ccco1 62a_100011217306_100009814098 [1,1,0,0,0,0|1,0,1]=4 1341 B9R1.12 FCNCc1ccco1 34a_100000185738_100015361967 [1,1,0,0,0,0|1,0,0]=3 1342 B9R1.12 FCOCc1ccco1 34a_100000210059_100015361967 [1,1,0,0,0,0|1,0,0]=3 1343 B9R1.12 FCOCc1cccs1 34a_100000211240_100015361967 [1,1,0,0,0,0|1,1,0]=4 1344 B9R1.12 FCOCc1ccno1 34a_100000740478_100015361967 [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.12 FCOCc1ncco1 34a_100000062594_100015361967 [1,1,0,0,0,0|2,0,0]=4 1346 B9R1.12 FCSCc1ncco1 62a_100015361967_103436540062 [1,1,0,0,0,0|2,0,0]=4 1347 B9R1.12 FCSCc1ncco1 62a_103436540062_100015361967 [1,1,0,0,0,0|2,0,0]=4 1348 B9R1.12 N#CCSc1ccco1 62a_100009814098_100011215382 [1,1,0,0,0,0|1,0,1]=4 1349 B9R1.12 N#CCSc1ccco1 62a_100011215382_100009814098 [1,1,0,0,0,0|1,0,1]=4 1350 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.12 O=CCSc1c[nH]cn1 62a_100000756875_200015260668 [1,1,0,0,0,0|2,0,0]=4 1353 B9R1.12 O=CCSc1c[nH]cn1 62a_200015260668_100000756875 [1,1,0,0,0,0|2,0,0]=4 1354 B9R1.12 O=CCSc1cc[nH]n1 62a_100000062575_200015260668 [1,1,0,0,0,0|2,0,0]=4 1355 B9R1.12 O=CCSc1cc[nH]n1 62a_200015260668_100000062575 [1,1,0,0,0,0|2,0,0]=4 1356 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,1,0,0,0,0|0,0,0]=2 1357 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,1,0,0,0,0|0,0,0]=2 1358 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,1,0,0,0,0|0,1,0]=3 1359 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,1,0,0,0,0|0,1,0]=3 1360 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [1,1,0,0,0,0|2,0,0]=4 1361 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [1,1,0,0,0,0|2,0,0]=4 1363 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [1,1,0,0,0,0|2,0,0]=4 1364 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [1,1,0,0,0,0|2,0,0]=4 1365 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [1,1,0,0,0,0|2,0,0]=4 1366 B9R1.12 O=CCSc1ccsn1 62a_100009818082_200015260668 [1,1,0,0,0,0|2,0,0]=4 1367 B9R1.12 O=CCSc1ccsn1 62a_200015260668_100009818082 [1,1,0,0,0,0|2,0,0]=4 1368 B9R1.12 O=CCSc1cnco1 62a_100020591547_200015260668 [1,1,0,0,0,0|1,0,0]=3 1369 B9R1.12 O=CCSc1cnco1 62a_200015260668_100020591547 [1,1,0,0,0,0|1,0,0]=3 1370 B9R1.12 O=CCSc1cncs1 62a_100011934649_200015260668 [1,1,0,0,0,0|1,1,0]=4 1371 B9R1.12 O=CCSc1cncs1 62a_200015260668_100011934649 [1,1,0,0,0,0|1,1,0]=4 1372 B9R1.12 O=CCSc1cscn1 62a_100000751502_200015260668 [1,1,0,0,0,0|2,0,0]=4 1373 B9R1.12 O=CCSc1cscn1 62a_200015260668_100000751502 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.12 O=CCSc1ncc[nH]1 62a_100025796157_200015260668 [1,1,0,0,0,0|2,0,0]=4 1375 B9R1.12 O=CCSc1ncc[nH]1 62a_200015260668_100025796157 [1,1,0,0,0,0|2,0,0]=4 1376 B9R1.12 O=CCSc1ncco1 62a_100011787736_200015260668 [1,1,0,0,0,0|1,0,0]=3 1377 B9R1.12 O=CCSc1ncco1 62a_200015260668_100011787736 [1,1,0,0,0,0|1,0,0]=3 1378 B9R1.12 O=CCSc1nccs1 62a_100000211983_200015260668 [1,1,0,0,0,0|1,1,0]=4 1379 B9R1.12 O=CCSc1nccs1 62a_200015260668_100000211983 [1,1,0,0,0,0|1,1,0]=4 1380 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,1,0,0,0,0|0,0,2]=4 1381 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,1,0,0,0,0|0,0,2]=4 1382 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,1,0,0,0,0|0,0,1]=3 1383 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,1,0,0,0,0|0,0,1]=3 1384 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,1,0,0,0,0|0,1,1]=4 1385 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,1,0,0,0,0|0,1,1]=4 1386 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,1,0,0,0,0|0,1,1]=4 1387 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,1,0,0,0,0|0,1,1]=4 1388 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,1,0,0,0,0|0,1,1]=4 1389 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,1,0,0,0,0|0,1,1]=4 1390 B9R1.33 CC=Cc1sccc1Br 271570a_100016259895_100012361411 [1,1,0,0,0,0|0,1,1]=4 1391 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,1,0,0,0,0|0,1,1]=4 1392 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [1,1,0,0,0,0|2,0,0]=4 1393 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1394 B9R1.33 CNCc1occc1Br 270004a_106832991635_100000756499 [1,1,0,0,0,0|1,0,0]=3 1395 B9R1.33 CNCc1occc1C 207a_100102657272_100000763527 [1,1,0,0,0,0|1,0,0]=3 1396 B9R1.33 CNCc1occc1C 270004a_106832991635_100000763527 [1,1,0,0,0,0|1,0,0]=3 1397 B9R1.33 CNCc1sccc1Br 207a_100102657272_100000766043 [1,1,0,0,0,0|1,1,0]=4 1398 B9R1.33 CNCc1sccc1Br 270004a_106832991635_100000766043 [1,1,0,0,0,0|1,1,0]=4 1399 B9R1.33 CNCc1sccc1C 207a_100102657272_100000210881 [1,1,0,0,0,0|1,1,0]=4 1400 B9R1.33 CNCc1sccc1C 2230a_100000238519_200000210301 [1,1,0,0,0,0|1,1,0]=4 1401 B9R1.33 CNCc1sccc1C 270004a_106832991635_100000210881 [1,1,0,0,0,0|1,1,0]=4 1402 B9R1.33 CNCc1sccc1C 34a_100000238519_200000210301 [1,1,0,0,0,0|1,1,0]=4 1403 B9R1.33 CNCc1sccc1Cl 207a_100102657272_100000722334 [1,1,0,0,0,0|1,1,0]=4 1404 B9R1.33 CNCc1sccc1Cl 2230a_100011934584_200000210301 [1,1,0,0,0,0|1,1,0]=4 1405 B9R1.33 CNCc1sccc1Cl 270004a_106832991635_100000722334 [1,1,0,0,0,0|1,1,0]=4 1406 B9R1.33 CNCc1sccc1Cl 34a_100011934584_200000210301 [1,1,0,0,0,0|1,1,0]=4 1407 B9R1.33 CNCc1sccc1O 271570a_203496583355_100000767120 [1,1,0,0,0,0|1,1,0]=4 1408 B9R1.33 COCc1occc1C 34a_100011273948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1409 B9R1.33 COCc1occc1C 7a_100011273948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1410 B9R1.33 COCc1ocnc1C 34a_100000717716_200000210301 [1,1,0,0,0,0|2,0,0]=4 1411 B9R1.33 COCc1ocnc1C 7a_100000717716_200000210301 [1,1,0,0,0,0|2,0,0]=4 1412 B9R1.33 COCc1oncc1C 34a_200011065769_200000210301 [1,1,0,0,0,0|2,0,0]=4 1413 B9R1.33 COCc1sccc1Br 34a_100000702026_200000210301 [1,1,0,0,0,0|1,1,0]=4 1414 B9R1.33 COCc1sccc1C 34a_100000238368_200000210301 [1,1,0,0,0,0|1,1,0]=4 1415 B9R1.33 COCc1sccc1C 7a_100000238368_200000210301 [1,1,0,0,0,0|1,1,0]=4 1416 B9R1.33 COCc1sccc1Cl 34a_100000722387_200000210301 [1,1,0,0,0,0|1,1,0]=4 1417 B9R1.33 COCc1sccc1Cl 7a_100000722387_200000210301 [1,1,0,0,0,0|1,1,0]=4 1418 B9R1.33 Cc1ccoc1CO[13CH3] 34a_100011273948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1419 B9R1.33 Cc1ccoc1CO[13CH3] 7a_100011273948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1420 B9R1.33 Cc1ccsc1CN[13CH3] 2230a_100000238519_200025704644 [1,1,0,0,0,0|1,1,0]=4 1421 B9R1.33 Cc1ccsc1CN[13CH3] 34a_100000238519_200025704644 [1,1,0,0,0,0|1,1,0]=4 1422 B9R1.33 Cc1ccsc1CO[13CH3] 34a_100000238368_200025704644 [1,1,0,0,0,0|1,1,0]=4 1423 B9R1.33 Cc1ccsc1CO[13CH3] 7a_100000238368_200025704644 [1,1,0,0,0,0|1,1,0]=4 1424 B9R1.33 Cc1cnoc1CO[13CH3] 34a_200011065769_200025704644 [1,1,0,0,0,0|2,0,0]=4 1425 B9R1.33 Cc1ncoc1CO[13CH3] 34a_100000717716_200025704644 [1,1,0,0,0,0|2,0,0]=4 1426 B9R1.33 Cc1ncoc1CO[13CH3] 7a_100000717716_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1428 B9R1.33 [13CH3]NCc1sccc1Cl 2230a_100011934584_200025704644 [1,1,0,0,0,0|1,1,0]=4 1429 B9R1.33 [13CH3]NCc1sccc1Cl 34a_100011934584_200025704644 [1,1,0,0,0,0|1,1,0]=4 1430 B9R1.33 [13CH3]OCc1sccc1Br 34a_100000702026_200025704644 [1,1,0,0,0,0|1,1,0]=4 1431 B9R1.33 [13CH3]OCc1sccc1Cl 34a_100000722387_200025704644 [1,1,0,0,0,0|1,1,0]=4 1432 B9R1.33 [13CH3]OCc1sccc1Cl 7a_100000722387_200025704644 [1,1,0,0,0,0|1,1,0]=4 1433 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,1,0|1,1,0]=4 1434 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,1,0|1,1,0]=4 1435 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,1,0|1,1,0]=4 1436 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,1,0|0,1,0]=3 1437 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,1,0|1,0,0]=3 1438 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,1,0|0,0,0]=2 1439 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,1,0|0,1,0]=3 1440 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,1,0|1,1,0]=4 1441 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,1,0|2,0,0]=4 1442 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,1,0|1,1,0]=4 1443 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,1,0|1,1,0]=4 1444 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,1,0|2,0,0]=4 1445 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,1,0|2,0,0]=4 1446 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,1,0|1,0,0]=3 1447 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,1,0|1,1,0]=4 1448 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,1,0|1,1,0]=4 1449 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,1,0|1,1,0]=4 1450 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,1,0|1,1,0]=4 1451 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,1,0|0,1,0]=3 1452 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,1,0|1,1,0]=4 1453 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,1|1,0,0]=3 1454 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,1|1,0,0]=3 1455 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,1|1,0,0]=3 1456 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,1|1,0,0]=3 1457 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,1|1,0,0]=3 1458 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,1|1,0,0]=3 1459 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,1|1,0,0]=3 1460 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,1|1,0,0]=3 1461 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,1|1,0,0]=3 1462 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,1|1,0,0]=3 1463 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,1|1,0,0]=3 1464 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,1|1,0,0]=3 1465 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,1|1,0,0]=3 1466 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,1|1,0,0]=3 1467 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,1|1,0,0]=3 1468 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,1|1,0,0]=3 1469 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,1|1,0,0]=3 1470 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,1|1,0,0]=3 1471 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,1|1,0,0]=3 1472 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,1|1,0,0]=3 1473 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,1|1,0,0]=3 1474 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,1|1,0,0]=3 1475 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,1|1,0,0]=3 1476 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,1|1,0,0]=3 1477 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,1|1,0,0]=3 1478 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,1|1,0,0]=3 1479 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,1|1,0,0]=3 1480 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,1|1,0,0]=3 1481 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,1|1,0,0]=3 1482 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,1|1,0,0]=3 1483 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,1|2,0,0]=4 1484 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,1|2,0,0]=4 1485 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,1|2,0,0]=4 1486 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,1|2,0,0]=4 1487 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,1|2,0,0]=4 1488 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1489 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1490 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,1|2,0,0]=4 1491 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,1|2,0,0]=4 1492 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,1|2,0,0]=4 1493 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,1|2,0,0]=4 1494 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,1|2,0,0]=4 1495 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,1|2,0,0]=4 1496 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,1|2,0,0]=4 1497 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,1|2,0,0]=4 1498 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,1|2,0,0]=4 1499 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,1|2,0,0]=4 1500 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,1|2,0,0]=4 1501 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,1|2,0,0]=4 1502 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,1|2,0,0]=4 1503 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,1|2,0,0]=4 1504 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,1|2,0,0]=4 1505 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,1|2,0,0]=4 1506 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,1|2,0,0]=4 1507 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,1|2,0,0]=4 1508 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,1,0,0,0,1|2,0,0]=4 1509 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,1,0,0,0,1|2,0,0]=4 1510 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,1|2,0,0]=4 1511 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,1|2,0,0]=4 1512 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,1|1,0,0]=3 1513 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,1|1,0,0]=3 1514 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,1|1,0,0]=3 1515 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,1|2,0,0]=4 1516 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,1|2,0,0]=4 1517 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,1|2,0,0]=4 1518 B11R1.20 NC(=O)Cc1ccc(nn1)O 271570a_203496583355_100015841783 [0,1,0,0,0,1|2,0,0]=4 1519 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,1|1,0,0]=3 1520 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,1|1,0,0]=3 1521 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,1|1,0,0]=3 1522 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,1|1,0,0]=3 1523 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,1|1,0,0]=3 1524 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,1|1,0,0]=3 1525 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,1|1,0,0]=3 1526 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,1|1,0,0]=3 1527 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,1|1,0,0]=3 1528 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,1|2,0,0]=4 1529 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,1|1,0,1]=4 1530 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,1|1,0,1]=4 1531 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,1|1,0,0]=3 1532 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|1,0,0]=3 1533 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,1|1,0,0]=3 1534 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,1|1,0,0]=3 1535 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,1|2,0,0]=4 1536 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,1|2,0,0]=4 1537 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,1|2,0,0]=4 1538 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,1|1,0,0]=3 1539 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,1|1,0,0]=3 1540 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|1,0,0]=3 1541 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,1|1,0,0]=3 1542 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,1|1,0,0]=3 1543 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,1|1,0,0]=3 1544 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,1|1,0,1]=4 1545 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,1|1,0,1]=4 1546 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,1|1,0,1]=4 1547 B11R1.40 C#CC(=O)Cc1cccnn1 1458a_100000211873_100016990269 [0,1,0,0,0,1|1,0,1]=4 1548 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,1|1,0,1]=4 1549 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,1,0,0,0,1|1,0,1]=4 1550 B11R1.40 C#CC(=O)Cc1ncccn1 1458a_100000211873_100000703007 [0,1,0,0,0,1|1,0,1]=4 1551 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,1|1,0,1]=4 1552 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,1|1,0,1]=4 1553 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,1|1,0,1]=4 1554 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [0,1,0,0,0,1|1,0,1]=4 1555 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,1|1,0,1]=4 1556 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,1,0,0,0,1|1,0,1]=4 1557 B11R1.40 C=CC(=O)Cc1ncccn1 1458a_100000185746_100000703007 [0,1,0,0,0,1|1,0,1]=4 1558 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,1|2,0,0]=4 1559 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|1,0,0]=3 1560 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|1,0,0]=3 1561 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|1,0,0]=3 1562 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|1,0,0]=3 1563 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|1,0,0]=3 1564 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,1|1,0,0]=3 1565 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,1|1,0,0]=3 1566 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|1,0,0]=3 1567 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,1,0,0,0,1|2,0,0]=4 1568 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,1,0,0,0,1|2,0,0]=4 1569 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,1|1,0,0]=3 1570 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1571 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1572 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1573 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1574 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,1|2,0,0]=4 1575 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,1|2,0,0]=4 1576 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,1|2,0,0]=4 1577 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,1|1,0,0]=3 1578 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,1|1,0,0]=3 1579 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,1|1,0,0]=3 1580 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,1|1,0,0]=3 1581 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,1|1,0,0]=3 1582 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,1|1,0,0]=3 1583 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,1|1,0,0]=3 1584 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,1|1,0,0]=3 1585 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,1|1,0,0]=3 1586 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,1,0,0,0,1|2,0,0]=4 1587 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,1,0,0,0,1|2,0,0]=4 1588 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,1,0,0,0,1|2,0,0]=4 1589 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,1|2,0,0]=4 1590 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,1|2,0,0]=4 1591 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,1|1,0,0]=3 1592 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,1|1,0,0]=3 1593 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,1,0,0,0,1|2,0,0]=4 1594 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|1,0,0]=3 1595 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|1,0,0]=3 1596 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|1,0,0]=3 1597 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,1|1,0,0]=3 1598 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,1|1,0,0]=3 1599 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,1|1,0,0]=3 1600 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,1|2,0,0]=4 1601 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,1|1,0,0]=3 1602 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|2,0,0]=4 1603 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|2,0,0]=4 1604 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,1|1,0,0]=3 1605 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,1|1,0,0]=3 1606 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,1|1,0,0]=3 1607 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,1|1,0,0]=3 1608 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,1|1,0,0]=3 1609 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,1|1,0,0]=3 1610 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,1|1,0,0]=3 1611 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,1|1,0,0]=3 1612 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,1|1,0,0]=3 1613 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,1|1,0,0]=3 1614 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,1|1,0,0]=3 1615 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,1|1,0,0]=3 1616 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,1|1,0,0]=3 1617 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,1|1,0,0]=3 1618 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,1|1,0,0]=3 1619 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,1|1,0,0]=3 1620 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,1|1,0,0]=3 1621 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,1|1,0,0]=3 1622 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,1|1,0,0]=3 1623 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,1|1,0,0]=3 1624 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,1|1,0,0]=3 1625 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,1|1,0,0]=3 1626 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,1|1,0,0]=3 1627 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,1|1,0,0]=3 1628 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,1|1,0,0]=3 1629 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,1|1,0,0]=3 1630 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,1|1,0,0]=3 1631 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,1|1,0,0]=3 1632 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,1|2,0,0]=4 1633 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,1,0,0,0,1|2,0,0]=4 1634 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,1|2,0,0]=4 1635 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,1|2,0,0]=4 1636 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,1|2,0,0]=4 1637 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,1|2,0,0]=4 1638 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,1|2,0,0]=4 1639 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,1|2,0,0]=4 1640 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,1|2,0,0]=4 1641 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,1|2,0,0]=4 1642 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,1|2,0,0]=4 1643 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,1|2,0,0]=4 1644 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,1|2,0,0]=4 1645 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,1|2,0,0]=4 1646 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,1|2,0,0]=4 1647 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,1|2,0,0]=4 1648 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,1|2,0,0]=4 1649 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,1|2,0,0]=4 1650 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,1|2,0,0]=4 1651 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,1|2,0,0]=4 1652 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,1|2,0,0]=4 1653 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,1|2,0,0]=4 1654 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,1,0,0,0,1|2,0,0]=4 1655 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,1|2,0,0]=4 1656 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,1|2,0,0]=4 1657 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,1|1,0,0]=3 1658 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,1|1,0,0]=3 1659 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,1|2,0,0]=4 1660 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,1|1,0,0]=3 1661 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,1|1,0,0]=3 1662 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,1|1,0,0]=3 1663 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,1|1,0,0]=3 1664 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,1|1,0,0]=3 1665 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,1|1,0,0]=3 1666 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,1|1,0,0]=3 1667 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,1|1,0,0]=3 1668 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,1|2,0,0]=4 1669 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,1,0,0,0,1|2,0,0]=4 1670 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,1|2,0,0]=4 1671 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,1|1,0,0]=3 1672 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,1|1,0,0]=3 1673 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,1|1,0,0]=3 1674 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,1|1,0,0]=3 1675 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,1|1,0,0]=3 1676 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,1|1,0,0]=3 1677 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,1|1,0,0]=3 1678 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,1|1,0,0]=3 1679 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,1|1,0,0]=3 1680 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,1|1,0,0]=3 1681 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,1|1,0,0]=3 1682 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,1|1,0,0]=3 1683 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,1|1,0,0]=3 1684 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,1|1,0,0]=3 1685 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,1|1,0,0]=3 1686 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,1|1,0,0]=3 1687 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,1|1,0,0]=3 1688 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,1|1,0,0]=3 1689 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,1|1,0,0]=3 1690 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,1|1,0,0]=3 1691 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,1|1,0,0]=3 1692 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,1|1,0,0]=3 1693 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,1|1,0,0]=3 1694 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,1|1,0,0]=3 1695 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,1|1,0,0]=3 1696 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,1|1,0,0]=3 1697 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,1|1,0,0]=3 1698 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,1|1,0,0]=3 1699 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,1|1,0,0]=3 1700 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,1|1,0,0]=3 1701 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,1|1,0,0]=3 1702 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,1|1,0,0]=3 1703 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,1|1,0,0]=3 1704 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,1|1,0,0]=3 1705 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,1|1,0,0]=3 1706 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,1|2,0,0]=4 1707 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1708 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1709 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,1|2,0,0]=4 1710 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,1|2,0,0]=4 1711 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,1|2,0,0]=4 1712 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,1|2,0,0]=4 1713 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,1|2,0,0]=4 1714 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,1|2,0,0]=4 1715 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,1|2,0,0]=4 1716 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,1|2,0,0]=4 1717 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,1|2,0,0]=4 1718 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,1|2,0,0]=4 1719 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,1|2,0,0]=4 1720 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,1|2,0,0]=4 1721 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,1|2,0,0]=4 1722 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,1|2,0,0]=4 1723 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,1|2,0,0]=4 1724 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,1|2,0,0]=4 1725 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,1|2,0,0]=4 1726 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,1|2,0,0]=4 1727 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,1|2,0,0]=4 1728 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,1|2,0,0]=4 1729 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,1|2,0,0]=4 1730 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,1|2,0,0]=4 1731 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,1,0,0,0,1|2,0,0]=4 1732 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,1|2,0,0]=4 1733 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,1|2,0,0]=4 1734 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,1|2,0,0]=4 1735 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,1|1,0,0]=3 1736 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,1|1,0,0]=3 1737 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,1|2,0,0]=4 1738 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,1|1,0,0]=3 1739 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,1|1,0,0]=3 1740 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,1|1,0,0]=3 1741 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,1|1,0,0]=3 1742 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,1|1,0,0]=3 1743 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,1|1,0,0]=3 1744 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,1|1,0,0]=3 1745 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,1|1,0,0]=3 1746 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,1|1,0,0]=3 1747 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,1|1,0,0]=3 1748 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,1|1,0,0]=3 1749 B11R1.25 C#CC(=O)CCc1cccs1 1458a_100000211873_100000748579 [0,1,0,0,0,1|0,1,1]=4 1750 B11R1.25 C#CC(C)NCc1ccco1 270004a_100000707721_100000186105 [0,1,0,0,0,1|1,0,1]=4 1751 B11R1.25 C#CC(C)NCc1ccco1 34a_100000185738_200000035995 [0,1,0,0,0,1|1,0,1]=4 1752 B11R1.25 C#CC(C)OCc1ccco1 34a_100000210059_200000035995 [0,1,0,0,0,1|1,0,1]=4 1753 B11R1.25 C=C(C#N)CSc1ccco1 62a_100009814098_100000694840 [0,1,0,0,0,1|1,0,1]=4 1754 B11R1.25 C=CC(=O)CCc1cccs1 1458a_100000185746_100000748579 [0,1,0,0,0,1|0,1,1]=4 1755 B11R1.25 C=CC(=O)NCc1ccc[nH]1 240690a_100000764082_200121576911 [0,1,0,0,0,1|1,0,1]=4 1756 B11R1.25 C=CC(=O)NCc1ccco1 1626a_100000185738_100000185746 [0,1,0,0,0,1|0,0,1]=3 1757 B11R1.25 C=CC(=O)NCc1ccco1 240690a_100000185738_200121576911 [0,1,0,0,0,1|0,0,1]=3 1758 B11R1.25 C=CC(=O)NCc1cccs1 1626a_100000211653_100000185746 [0,1,0,0,0,1|0,1,1]=4 1759 B11R1.25 C=CC(=O)NCc1cccs1 240690a_100000211653_200121576911 [0,1,0,0,0,1|0,1,1]=4 1760 B11R1.25 C=CC(=O)NCc1cnco1 240690a_100020634212_200121576911 [0,1,0,0,0,1|1,0,1]=4 1761 B11R1.25 C=CC(=O)NCc1ncco1 1626a_100016994969_100000185746 [0,1,0,0,0,1|1,0,1]=4 1762 B11R1.25 C=CC(=O)NCc1ncco1 240690a_100016994969_200121576911 [0,1,0,0,0,1|1,0,1]=4 1763 B11R1.25 CC(C#N)NCc1ccco1 2230a_100000185738_100000184139 [0,1,0,0,0,1|1,0,1]=4 1764 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,1,0,0,0,1|1,0,1]=4 1765 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,1,0,0,0,1|1,0,1]=4 1766 B11R1.25 CC(CO)NCc1ccco1 2230a_100000185738_100012180447 [0,1,0,0,0,1|0,0,2]=4 1767 B11R1.25 CC(CO)NCc1ccco1 34a_100000185738_100012180447 [0,1,0,0,0,1|0,0,2]=4 1768 B11R1.25 CC(CO)OCc1ccco1 34a_100000210059_100012180447 [0,1,0,0,0,1|0,0,2]=4 1769 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,1,0,0,0,1|0,1,1]=4 1770 B11R1.25 CCC(=O)CCc1c[nH]cn1 1458a_100000210414_100020628418 [0,1,0,0,0,1|2,0,0]=4 1771 B11R1.25 CCC(=O)CCc1cc[nH]c1 1458a_200000093579_100000210202 [0,1,0,0,0,1|2,0,0]=4 1772 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,0,0,1|1,0,0]=3 1773 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,0,0,1|0,0,0]=2 1774 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,0,0,1|0,1,0]=3 1775 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,0,0,1|0,1,0]=3 1776 B11R1.25 CCC(=O)CCc1ccsc1 1458a_100000195497_100000210202 [0,1,0,0,0,1|2,0,0]=4 1777 B11R1.25 CCC(=O)CCc1cnc[nH]1 1458a_100000044180_100000210202 [0,1,0,0,0,1|2,0,0]=4 1778 B11R1.25 CCC(=O)CCc1cncs1 1458a_100012184922_100000210202 [0,1,0,0,0,1|1,1,0]=4 1779 B11R1.25 CCC(=O)CCc1ncc[nH]1 1458a_100000722789_100000210202 [0,1,0,0,0,1|2,0,0]=4 1780 B11R1.25 CCC(=O)CCc1nccs1 1458a_100000742873_100000210202 [0,1,0,0,0,1|1,1,0]=4 1781 B11R1.25 CCC(=O)CCn1cccc1 1458a_100000210414_200000035178 [0,1,0,0,0,1|2,0,0]=4 1782 B11R1.25 CCC(=O)CCn1cccc1 1458a_100011196273_100000210202 [0,1,0,0,0,1|2,0,0]=4 1783 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000210414_100000685285 [0,1,0,0,0,1|2,0,0]=4 1784 B11R1.25 CCC(=O)CCn1cccn1 1458a_100000242649_100000210202 [0,1,0,0,0,1|2,0,0]=4 1785 B11R1.25 CCC(=O)COc1ccsc1 7a_100000106738_100000747405 [0,1,0,0,0,1|2,0,0]=4 1786 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000747405_100000756875 [0,1,0,0,0,1|2,0,0]=4 1787 B11R1.25 CCC(=O)CSc1c[nH]cn1 62a_100000756875_100000747405 [0,1,0,0,0,1|2,0,0]=4 1788 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000062575_100000747405 [0,1,0,0,0,1|2,0,0]=4 1789 B11R1.25 CCC(=O)CSc1cc[nH]n1 62a_100000747405_100000062575 [0,1,0,0,0,1|2,0,0]=4 1790 B11R1.25 CCC(=O)CSc1ccco1 62a_100000747405_100009814098 [0,1,0,0,0,1|0,0,0]=2 1791 B11R1.25 CCC(=O)CSc1ccco1 62a_100009814098_100000747405 [0,1,0,0,0,1|0,0,0]=2 1792 B11R1.25 CCC(=O)CSc1cccs1 62a_100000747405_100011215356 [0,1,0,0,0,1|0,1,0]=3 1793 B11R1.25 CCC(=O)CSc1cccs1 62a_100011215356_100000747405 [0,1,0,0,0,1|0,1,0]=3 1794 B11R1.25 CCC(=O)CSc1ccoc1 62a_100000747405_100011215275 [0,1,0,0,0,1|2,0,0]=4 1795 B11R1.25 CCC(=O)CSc1ccoc1 62a_100011215275_100000747405 [0,1,0,0,0,1|2,0,0]=4 1796 B11R1.25 CCC(=O)CSc1ccon1 62a_100000747405_100009818083 [0,1,0,0,0,1|2,0,0]=4 1797 B11R1.25 CCC(=O)CSc1ccon1 62a_100009818083_100000747405 [0,1,0,0,0,1|2,0,0]=4 1798 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000738268_100000747405 [0,1,0,0,0,1|2,0,0]=4 1799 B11R1.25 CCC(=O)CSc1ccsc1 62a_100000747405_100000738268 [0,1,0,0,0,1|2,0,0]=4 1800 B11R1.25 CCC(=O)CSc1ccsn1 62a_100000747405_100009818082 [0,1,0,0,0,1|2,0,0]=4 1801 B11R1.25 CCC(=O)CSc1ccsn1 62a_100009818082_100000747405 [0,1,0,0,0,1|2,0,0]=4 1802 B11R1.25 CCC(=O)CSc1cnco1 62a_100000747405_100020591547 [0,1,0,0,0,1|1,0,0]=3 1803 B11R1.25 CCC(=O)CSc1cnco1 62a_100020591547_100000747405 [0,1,0,0,0,1|1,0,0]=3 1804 B11R1.25 CCC(=O)CSc1cncs1 62a_100000747405_100011934649 [0,1,0,0,0,1|1,1,0]=4 1805 B11R1.25 CCC(=O)CSc1cncs1 62a_100011934649_100000747405 [0,1,0,0,0,1|1,1,0]=4 1806 B11R1.25 CCC(=O)CSc1cscn1 62a_100000747405_100000751502 [0,1,0,0,0,1|2,0,0]=4 1807 B11R1.25 CCC(=O)CSc1cscn1 62a_100000751502_100000747405 [0,1,0,0,0,1|2,0,0]=4 1808 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100000747405_100025796157 [0,1,0,0,0,1|2,0,0]=4 1809 B11R1.25 CCC(=O)CSc1ncc[nH]1 62a_100025796157_100000747405 [0,1,0,0,0,1|2,0,0]=4 1810 B11R1.25 CCC(=O)CSc1ncco1 62a_100000747405_100011787736 [0,1,0,0,0,1|1,0,0]=3 1811 B11R1.25 CCC(=O)CSc1ncco1 62a_100011787736_100000747405 [0,1,0,0,0,1|1,0,0]=3 1812 B11R1.25 CCC(=O)CSc1nccs1 62a_100000211983_100000747405 [0,1,0,0,0,1|1,1,0]=4 1813 B11R1.25 CCC(=O)CSc1nccs1 62a_100000747405_100000211983 [0,1,0,0,0,1|1,1,0]=4 1814 B11R1.25 CCC(=O)NCc1c[nH]cn1 11a_100000758547_100000210414 [0,1,0,0,0,1|2,0,0]=4 1815 B11R1.25 CCC(=O)NCc1c[nH]cn1 240690a_100000758547_100000210414 [0,1,0,0,0,1|2,0,0]=4 1816 B11R1.25 CCC(=O)NCc1c[nH]cn1 527a_100000758547_100000210414 [0,1,0,0,0,1|2,0,0]=4 1817 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [0,1,0,0,0,1|2,0,0]=4 1818 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [0,1,0,0,0,1|2,0,0]=4 1819 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [0,1,0,0,0,1|2,0,0]=4 1820 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,1,0,0,0,1|1,0,0]=3 1821 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,1,0,0,0,1|1,0,0]=3 1822 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,1,0,0,0,1|1,0,0]=3 1823 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,0,0,1|0,0,0]=2 1824 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,0,0,1|0,0,0]=2 1825 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,0,0,1|0,0,0]=2 1826 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,0,0,1|0,0,0]=2 1827 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,1,0,0,0,1|0,1,0]=3 1828 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,1,0,0,0,1|0,1,0]=3 1829 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,1,0,0,0,1|0,1,0]=3 1830 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,1,0,0,0,1|0,1,0]=3 1831 B11R1.25 CCC(=O)NCc1ccoc1 11a_100015206860_100000210414 [0,1,0,0,0,1|2,0,0]=4 1832 B11R1.25 CCC(=O)NCc1ccoc1 1626a_100015206860_100000210414 [0,1,0,0,0,1|2,0,0]=4 1833 B11R1.25 CCC(=O)NCc1ccoc1 240690a_100015206860_100000210414 [0,1,0,0,0,1|2,0,0]=4 1834 B11R1.25 CCC(=O)NCc1ccoc1 527a_100015206860_100000210414 [0,1,0,0,0,1|2,0,0]=4 1835 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [0,1,0,0,0,1|2,0,0]=4 1836 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [0,1,0,0,0,1|2,0,0]=4 1837 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [0,1,0,0,0,1|2,0,0]=4 1838 B11R1.25 CCC(=O)NCc1ccsc1 11a_100000186416_100000210414 [0,1,0,0,0,1|2,0,0]=4 1839 B11R1.25 CCC(=O)NCc1ccsc1 1626a_100000186416_100000210414 [0,1,0,0,0,1|2,0,0]=4 1840 B11R1.25 CCC(=O)NCc1ccsc1 240690a_100000186416_100000210414 [0,1,0,0,0,1|2,0,0]=4 1841 B11R1.25 CCC(=O)NCc1ccsc1 527a_100000186416_100000210414 [0,1,0,0,0,1|2,0,0]=4 1842 B11R1.25 CCC(=O)NCc1cnco1 11a_100020634212_100000210414 [0,1,0,0,0,1|1,0,0]=3 1843 B11R1.25 CCC(=O)NCc1cnco1 240690a_100020634212_100000210414 [0,1,0,0,0,1|1,0,0]=3 1844 B11R1.25 CCC(=O)NCc1cnco1 527a_100020634212_100000210414 [0,1,0,0,0,1|1,0,0]=3 1845 B11R1.25 CCC(=O)NCc1cncs1 11a_100016987365_100000210414 [0,1,0,0,0,1|1,1,0]=4 1846 B11R1.25 CCC(=O)NCc1cncs1 240690a_100016987365_100000210414 [0,1,0,0,0,1|1,1,0]=4 1847 B11R1.25 CCC(=O)NCc1cncs1 527a_100016987365_100000210414 [0,1,0,0,0,1|1,1,0]=4 1848 B11R1.25 CCC(=O)NCc1cocn1 11a_100015188801_100000210414 [0,1,0,0,0,1|2,0,0]=4 1849 B11R1.25 CCC(=O)NCc1cocn1 240690a_100015188801_100000210414 [0,1,0,0,0,1|2,0,0]=4 1850 B11R1.25 CCC(=O)NCc1cocn1 527a_100015188801_100000210414 [0,1,0,0,0,1|2,0,0]=4 1851 B11R1.25 CCC(=O)NCc1cscn1 11a_100015185402_100000210414 [0,1,0,0,0,1|2,0,0]=4 1852 B11R1.25 CCC(=O)NCc1cscn1 1626a_100015185402_100000210414 [0,1,0,0,0,1|2,0,0]=4 1853 B11R1.25 CCC(=O)NCc1cscn1 240690a_100015185402_100000210414 [0,1,0,0,0,1|2,0,0]=4 1854 B11R1.25 CCC(=O)NCc1cscn1 527a_100015185402_100000210414 [0,1,0,0,0,1|2,0,0]=4 1855 B11R1.25 CCC(=O)NCc1ncc[nH]1 11a_100000754540_100000210414 [0,1,0,0,0,1|2,0,0]=4 1856 B11R1.25 CCC(=O)NCc1ncc[nH]1 240690a_100000754540_100000210414 [0,1,0,0,0,1|2,0,0]=4 1857 B11R1.25 CCC(=O)NCc1ncc[nH]1 527a_100000754540_100000210414 [0,1,0,0,0,1|2,0,0]=4 1858 B11R1.25 CCC(=O)NCc1ncco1 11a_100016994969_100000210414 [0,1,0,0,0,1|1,0,0]=3 1859 B11R1.25 CCC(=O)NCc1ncco1 1626a_100016994969_100000210414 [0,1,0,0,0,1|1,0,0]=3 1860 B11R1.25 CCC(=O)NCc1ncco1 240690a_100016994969_100000210414 [0,1,0,0,0,1|1,0,0]=3 1861 B11R1.25 CCC(=O)NCc1ncco1 527a_100016994969_100000210414 [0,1,0,0,0,1|1,0,0]=3 1862 B11R1.25 CCC(=O)NCc1nccs1 11a_100000740555_100000210414 [0,1,0,0,0,1|1,1,0]=4 1863 B11R1.25 CCC(=O)NCc1nccs1 1626a_100000740555_100000210414 [0,1,0,0,0,1|1,1,0]=4 1864 B11R1.25 CCC(=O)NCc1nccs1 240690a_100000740555_100000210414 [0,1,0,0,0,1|1,1,0]=4 1865 B11R1.25 CCC(=O)NCc1nccs1 527a_100000740555_100000210414 [0,1,0,0,0,1|1,1,0]=4 1866 B11R1.25 CCC(C)CSc1ccco1 62a_100000748023_100009814098 [0,1,0,0,0,1|1,0,1]=4 1867 B11R1.25 CCC(C)CSc1ccco1 62a_100009814098_100000748023 [0,1,0,0,0,1|1,0,1]=4 1868 B11R1.25 CCC(C)NCc1ccco1 207a_100000209981_100000186105 [0,1,0,0,0,1|1,0,1]=4 1869 B11R1.25 CCC(C)NCc1ccco1 2230a_100000185738_100000758301 [0,1,0,0,0,1|1,0,1]=4 1870 B11R1.25 CCC(C)NCc1ccco1 270004a_100000209981_100000186105 [0,1,0,0,0,1|1,0,1]=4 1871 B11R1.25 CCC(C)NCc1ccco1 34a_100000185738_100011215416 [0,1,0,0,0,1|1,0,1]=4 1872 B11R1.25 CCC(C)OCc1ccco1 34a_100000210059_100011215416 [0,1,0,0,0,1|1,0,1]=4 1873 B11R1.25 CCC(O)CSc1ccco1 62a_100009814098_100011218378 [0,1,0,0,0,1|0,0,2]=4 1874 B11R1.25 CCC(O)CSc1ccco1 62a_100011218378_100009814098 [0,1,0,0,0,1|0,0,2]=4 1875 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009814098_100009816398 [0,1,0,0,0,1|1,0,1]=4 1876 B11R1.25 CC[C@H](C)CSc1ccco1 62a_100009816398_100009814098 [0,1,0,0,0,1|1,0,1]=4 1877 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,1,0,0,0,1|0,1,1]=4 1878 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,1,0,0,0,1|0,1,1]=4 1879 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,1,0,0,0,1|0,1,1]=4 1880 B11R1.25 CNC(=O)CCc1cc[nH]c1 11a_106832991635_200000093579 [0,1,0,0,0,1|2,0,0]=4 1881 B11R1.25 CNC(=O)CCc1cc[nH]c1 240690a_100102657272_200000093579 [0,1,0,0,0,1|2,0,0]=4 1882 B11R1.25 CNC(=O)CCc1cc[nH]c1 527a_100102657272_200000093579 [0,1,0,0,0,1|2,0,0]=4 1883 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,0,0,1|1,0,0]=3 1884 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,0,0,1|1,0,0]=3 1885 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,0,0,1|1,0,0]=3 1886 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,0,0,1|0,0,0]=2 1887 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,0,0,1|0,0,0]=2 1888 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,0,0,1|0,0,0]=2 1889 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,0,0,1|0,1,0]=3 1890 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,0,0,1|0,1,0]=3 1891 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,0,0,1|0,1,0]=3 1892 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,0,0,1|0,1,0]=3 1893 B11R1.25 CNC(=O)CCc1ccsc1 11a_106832991635_100000195497 [0,1,0,0,0,1|2,0,0]=4 1894 B11R1.25 CNC(=O)CCc1ccsc1 1626a_100102657272_100000195497 [0,1,0,0,0,1|2,0,0]=4 1895 B11R1.25 CNC(=O)CCc1ccsc1 240690a_100102657272_100000195497 [0,1,0,0,0,1|2,0,0]=4 1896 B11R1.25 CNC(=O)CCc1ccsc1 527a_100102657272_100000195497 [0,1,0,0,0,1|2,0,0]=4 1897 B11R1.25 CNC(=O)CCc1cnc[nH]1 240690a_100102657272_100000044180 [0,1,0,0,0,1|2,0,0]=4 1898 B11R1.25 CNC(=O)CCc1cnc[nH]1 527a_100102657272_100000044180 [0,1,0,0,0,1|2,0,0]=4 1899 B11R1.25 CNC(=O)CCc1cncs1 11a_106832991635_100012184922 [0,1,0,0,0,1|1,1,0]=4 1900 B11R1.25 CNC(=O)CCc1cncs1 1626a_100102657272_100012184922 [0,1,0,0,0,1|1,1,0]=4 1901 B11R1.25 CNC(=O)CCc1cncs1 240690a_100102657272_100012184922 [0,1,0,0,0,1|1,1,0]=4 1902 B11R1.25 CNC(=O)CCc1cncs1 527a_100102657272_100012184922 [0,1,0,0,0,1|1,1,0]=4 1903 B11R1.25 CNC(=O)CCc1ncc[nH]1 240690a_100102657272_100000722789 [0,1,0,0,0,1|2,0,0]=4 1904 B11R1.25 CNC(=O)CCc1ncc[nH]1 527a_100102657272_100000722789 [0,1,0,0,0,1|2,0,0]=4 1905 B11R1.25 CNC(=O)CCc1nccs1 11a_106832991635_100000742873 [0,1,0,0,0,1|1,1,0]=4 1906 B11R1.25 CNC(=O)CCc1nccs1 1626a_100102657272_100000742873 [0,1,0,0,0,1|1,1,0]=4 1907 B11R1.25 CNC(=O)CCc1nccs1 240690a_100102657272_100000742873 [0,1,0,0,0,1|1,1,0]=4 1908 B11R1.25 CNC(=O)CCc1nccs1 527a_100102657272_100000742873 [0,1,0,0,0,1|1,1,0]=4 1909 B11R1.25 CNC(=O)CCn1cccc1 11a_106832991635_100011196273 [0,1,0,0,0,1|2,0,0]=4 1910 B11R1.25 CNC(=O)CCn1cccc1 1626a_100102657272_100011196273 [0,1,0,0,0,1|2,0,0]=4 1911 B11R1.25 CNC(=O)CCn1cccc1 527a_100102657272_100011196273 [0,1,0,0,0,1|2,0,0]=4 1912 B11R1.25 CNC(=O)CCn1cccn1 11a_106832991635_100000242649 [0,1,0,0,0,1|2,0,0]=4 1913 B11R1.25 CNC(=O)CCn1cccn1 1626a_100102657272_100000242649 [0,1,0,0,0,1|2,0,0]=4 1914 B11R1.25 CNC(=O)CCn1cccn1 240690a_100102657272_100000242649 [0,1,0,0,0,1|2,0,0]=4 1915 B11R1.25 CNC(=O)CCn1cccn1 527a_100102657272_100000242649 [0,1,0,0,0,1|2,0,0]=4 1916 B11R1.25 CNC(=O)COc1ccsc1 34a_100000106738_100000183359 [0,1,0,0,0,1|2,0,0]=4 1917 B11R1.25 CNC(=O)COc1ccsc1 7a_100000106738_100000183359 [0,1,0,0,0,1|2,0,0]=4 1918 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000183359_100000756875 [0,1,0,0,0,1|2,0,0]=4 1919 B11R1.25 CNC(=O)CSc1c[nH]cn1 62a_100000756875_100000183359 [0,1,0,0,0,1|2,0,0]=4 1920 B11R1.25 CNC(=O)CSc1cc[nH]n1 62a_100000062575_100000183359 [0,1,0,0,0,1|2,0,0]=4 1921 B11R1.25 CNC(=O)CSc1cc[nH]n1 62a_100000183359_100000062575 [0,1,0,0,0,1|2,0,0]=4 1922 B11R1.25 CNC(=O)CSc1ccco1 62a_100000183359_100009814098 [0,1,0,0,0,1|0,0,0]=2 1923 B11R1.25 CNC(=O)CSc1ccco1 62a_100009814098_100000183359 [0,1,0,0,0,1|0,0,0]=2 1924 B11R1.25 CNC(=O)CSc1cccs1 62a_100000183359_100011215356 [0,1,0,0,0,1|0,1,0]=3 1925 B11R1.25 CNC(=O)CSc1cccs1 62a_100011215356_100000183359 [0,1,0,0,0,1|0,1,0]=3 1926 B11R1.25 CNC(=O)CSc1ccoc1 62a_100000183359_100011215275 [0,1,0,0,0,1|2,0,0]=4 1927 B11R1.25 CNC(=O)CSc1ccoc1 62a_100011215275_100000183359 [0,1,0,0,0,1|2,0,0]=4 1928 B11R1.25 CNC(=O)CSc1ccon1 62a_100000183359_100009818083 [0,1,0,0,0,1|2,0,0]=4 1929 B11R1.25 CNC(=O)CSc1ccon1 62a_100009818083_100000183359 [0,1,0,0,0,1|2,0,0]=4 1930 B11R1.25 CNC(=O)CSc1ccsc1 62a_100000183359_100000738268 [0,1,0,0,0,1|2,0,0]=4 1931 B11R1.25 CNC(=O)CSc1ccsc1 62a_100000738268_100000183359 [0,1,0,0,0,1|2,0,0]=4 1932 B11R1.25 CNC(=O)CSc1ccsn1 62a_100000183359_100009818082 [0,1,0,0,0,1|2,0,0]=4 1933 B11R1.25 CNC(=O)CSc1ccsn1 62a_100009818082_100000183359 [0,1,0,0,0,1|2,0,0]=4 1934 B11R1.25 CNC(=O)CSc1cnco1 62a_100000183359_100020591547 [0,1,0,0,0,1|1,0,0]=3 1935 B11R1.25 CNC(=O)CSc1cnco1 62a_100020591547_100000183359 [0,1,0,0,0,1|1,0,0]=3 1936 B11R1.25 CNC(=O)CSc1cncs1 62a_100000183359_100011934649 [0,1,0,0,0,1|1,1,0]=4 1937 B11R1.25 CNC(=O)CSc1cncs1 62a_100011934649_100000183359 [0,1,0,0,0,1|1,1,0]=4 1938 B11R1.25 CNC(=O)CSc1cscn1 62a_100000183359_100000751502 [0,1,0,0,0,1|2,0,0]=4 1939 B11R1.25 CNC(=O)CSc1cscn1 62a_100000751502_100000183359 [0,1,0,0,0,1|2,0,0]=4 1940 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100000183359_100025796157 [0,1,0,0,0,1|2,0,0]=4 1941 B11R1.25 CNC(=O)CSc1ncc[nH]1 62a_100025796157_100000183359 [0,1,0,0,0,1|2,0,0]=4 1942 B11R1.25 CNC(=O)CSc1ncco1 62a_100000183359_100011787736 [0,1,0,0,0,1|1,0,0]=3 1943 B11R1.25 CNC(=O)CSc1ncco1 62a_100011787736_100000183359 [0,1,0,0,0,1|1,0,0]=3 1944 B11R1.25 CNC(=O)CSc1nccs1 11a_106832991635_100000739254 [0,1,0,0,0,1|1,1,0]=4 1945 B11R1.25 CNC(=O)CSc1nccs1 1626a_100102657272_100000739254 [0,1,0,0,0,1|1,1,0]=4 1946 B11R1.25 CNC(=O)CSc1nccs1 240690a_100102657272_100000739254 [0,1,0,0,0,1|1,1,0]=4 1947 B11R1.25 CNC(=O)CSc1nccs1 62a_100000183359_100000211983 [0,1,0,0,0,1|1,1,0]=4 1948 B11R1.25 CNC(=O)CSc1nccs1 62a_100000211983_100000183359 [0,1,0,0,0,1|1,1,0]=4 1949 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100000758547_106832991635 [0,1,0,0,0,1|2,0,0]=4 1950 B11R1.25 CNC(=O)NCc1c[nH]cn1 2708a_100102657272_100000758547 [0,1,0,0,0,1|2,0,0]=4 1951 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100000758547_100102657272 [0,1,0,0,0,1|2,0,0]=4 1952 B11R1.25 CNC(=O)NCc1c[nH]cn1 273464a_100102657272_100000758547 [0,1,0,0,0,1|2,0,0]=4 1953 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_100000758547_100102657272 [0,1,0,0,0,1|2,0,0]=4 1954 B11R1.25 CNC(=O)NCc1c[nH]cn1 512a_106832991638_100000758547 [0,1,0,0,0,1|2,0,0]=4 1955 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100000739516_106832991635 [0,1,0,0,0,1|2,0,0]=4 1956 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100102657272_100000739516 [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100000739516_100102657272 [0,1,0,0,0,1|2,0,0]=4 1958 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100102657272_100000739516 [0,1,0,0,0,1|2,0,0]=4 1959 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_100000739516_100102657272 [0,1,0,0,0,1|2,0,0]=4 1960 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_106832991638_100000739516 [0,1,0,0,0,1|2,0,0]=4 1961 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,1,0,0,0,1|1,0,0]=3 1962 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,1,0,0,0,1|1,0,0]=3 1963 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,1,0,0,0,1|1,0,0]=3 1964 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,0,0,1|0,0,0]=2 1965 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,0,0,1|0,0,0]=2 1966 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,0,0,1|0,0,0]=2 1967 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,0,0,1|0,0,0]=2 1968 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,0,0,1|0,0,0]=2 1969 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,1,0,0,0,1|0,1,0]=3 1970 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,1,0,0,0,1|0,1,0]=3 1971 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,1,0,0,0,1|0,1,0]=3 1972 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,1,0,0,0,1|0,1,0]=3 1973 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,1,0,0,0,1|0,1,0]=3 1974 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,1,0,0,0,1|0,1,0]=3 1975 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100015206860_106832991635 [0,1,0,0,0,1|2,0,0]=4 1976 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100102657272_100015206860 [0,1,0,0,0,1|2,0,0]=4 1977 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100015206860_100102657272 [0,1,0,0,0,1|2,0,0]=4 1978 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100102657272_100015206860 [0,1,0,0,0,1|2,0,0]=4 1979 B11R1.25 CNC(=O)NCc1ccoc1 512a_100015206860_100102657272 [0,1,0,0,0,1|2,0,0]=4 1980 B11R1.25 CNC(=O)NCc1ccoc1 512a_106832991638_100015206860 [0,1,0,0,0,1|2,0,0]=4 1981 B11R1.25 CNC(=O)NCc1ccon1 2708a_100000688301_106832991635 [0,1,0,0,0,1|2,0,0]=4 1982 B11R1.25 CNC(=O)NCc1ccon1 2708a_100102657272_100000688301 [0,1,0,0,0,1|2,0,0]=4 1983 B11R1.25 CNC(=O)NCc1ccon1 273464a_100000688301_100102657272 [0,1,0,0,0,1|2,0,0]=4 1984 B11R1.25 CNC(=O)NCc1ccon1 273464a_100102657272_100000688301 [0,1,0,0,0,1|2,0,0]=4 1985 B11R1.25 CNC(=O)NCc1ccon1 512a_100000688301_100102657272 [0,1,0,0,0,1|2,0,0]=4 1986 B11R1.25 CNC(=O)NCc1ccon1 512a_106832991638_100000688301 [0,1,0,0,0,1|2,0,0]=4 1987 B11R1.25 CNC(=O)NCc1ccsc1 2708a_100000186416_106832991635 [0,1,0,0,0,1|2,0,0]=4 1988 B11R1.25 CNC(=O)NCc1ccsc1 2708a_100102657272_100000186416 [0,1,0,0,0,1|2,0,0]=4 1989 B11R1.25 CNC(=O)NCc1ccsc1 273464a_100000186416_100102657272 [0,1,0,0,0,1|2,0,0]=4 1990 B11R1.25 CNC(=O)NCc1ccsc1 273464a_100102657272_100000186416 [0,1,0,0,0,1|2,0,0]=4 1991 B11R1.25 CNC(=O)NCc1ccsc1 512a_100000186416_100102657272 [0,1,0,0,0,1|2,0,0]=4 1992 B11R1.25 CNC(=O)NCc1ccsc1 512a_106832991638_100000186416 [0,1,0,0,0,1|2,0,0]=4 1993 B11R1.25 CNC(=O)NCc1cnco1 2708a_100020634212_106832991635 [0,1,0,0,0,1|1,0,0]=3 1994 B11R1.25 CNC(=O)NCc1cnco1 2708a_100102657272_100020634212 [0,1,0,0,0,1|1,0,0]=3 1995 B11R1.25 CNC(=O)NCc1cnco1 273464a_100020634212_100102657272 [0,1,0,0,0,1|1,0,0]=3 1996 B11R1.25 CNC(=O)NCc1cnco1 273464a_100102657272_100020634212 [0,1,0,0,0,1|1,0,0]=3 1997 B11R1.25 CNC(=O)NCc1cnco1 512a_100020634212_100102657272 [0,1,0,0,0,1|1,0,0]=3 1998 B11R1.25 CNC(=O)NCc1cnco1 512a_106832991638_100020634212 [0,1,0,0,0,1|1,0,0]=3 1999 B11R1.25 CNC(=O)NCc1cncs1 2708a_100016987365_106832991635 [0,1,0,0,0,1|1,1,0]=4 2000 B11R1.25 CNC(=O)NCc1cncs1 2708a_100102657272_100016987365 [0,1,0,0,0,1|1,1,0]=4 2001 B11R1.25 CNC(=O)NCc1cncs1 273464a_100016987365_100102657272 [0,1,0,0,0,1|1,1,0]=4 2002 B11R1.25 CNC(=O)NCc1cncs1 273464a_100102657272_100016987365 [0,1,0,0,0,1|1,1,0]=4 2003 B11R1.25 CNC(=O)NCc1cncs1 512a_100016987365_100102657272 [0,1,0,0,0,1|1,1,0]=4 2004 B11R1.25 CNC(=O)NCc1cncs1 512a_106832991638_100016987365 [0,1,0,0,0,1|1,1,0]=4 2005 B11R1.25 CNC(=O)NCc1cocn1 2708a_100015188801_106832991635 [0,1,0,0,0,1|2,0,0]=4 2006 B11R1.25 CNC(=O)NCc1cocn1 2708a_100102657272_100015188801 [0,1,0,0,0,1|2,0,0]=4 2007 B11R1.25 CNC(=O)NCc1cocn1 273464a_100015188801_100102657272 [0,1,0,0,0,1|2,0,0]=4 2008 B11R1.25 CNC(=O)NCc1cocn1 273464a_100102657272_100015188801 [0,1,0,0,0,1|2,0,0]=4 2009 B11R1.25 CNC(=O)NCc1cocn1 512a_100015188801_100102657272 [0,1,0,0,0,1|2,0,0]=4 2010 B11R1.25 CNC(=O)NCc1cocn1 512a_106832991638_100015188801 [0,1,0,0,0,1|2,0,0]=4 2011 B11R1.25 CNC(=O)NCc1cscn1 2708a_100015185402_106832991635 [0,1,0,0,0,1|2,0,0]=4 2012 B11R1.25 CNC(=O)NCc1cscn1 2708a_100102657272_100015185402 [0,1,0,0,0,1|2,0,0]=4 2013 B11R1.25 CNC(=O)NCc1cscn1 273464a_100015185402_100102657272 [0,1,0,0,0,1|2,0,0]=4 2014 B11R1.25 CNC(=O)NCc1cscn1 273464a_100102657272_100015185402 [0,1,0,0,0,1|2,0,0]=4 2015 B11R1.25 CNC(=O)NCc1cscn1 512a_100015185402_100102657272 [0,1,0,0,0,1|2,0,0]=4 2016 B11R1.25 CNC(=O)NCc1cscn1 512a_106832991638_100015185402 [0,1,0,0,0,1|2,0,0]=4 2017 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100000754540_106832991635 [0,1,0,0,0,1|2,0,0]=4 2018 B11R1.25 CNC(=O)NCc1ncc[nH]1 2708a_100102657272_100000754540 [0,1,0,0,0,1|2,0,0]=4 2019 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100000754540_100102657272 [0,1,0,0,0,1|2,0,0]=4 2020 B11R1.25 CNC(=O)NCc1ncc[nH]1 273464a_100102657272_100000754540 [0,1,0,0,0,1|2,0,0]=4 2021 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_100000754540_100102657272 [0,1,0,0,0,1|2,0,0]=4 2022 B11R1.25 CNC(=O)NCc1ncc[nH]1 512a_106832991638_100000754540 [0,1,0,0,0,1|2,0,0]=4 2023 B11R1.25 CNC(=O)NCc1ncco1 2708a_100016994969_106832991635 [0,1,0,0,0,1|1,0,0]=3 2024 B11R1.25 CNC(=O)NCc1ncco1 2708a_100102657272_100016994969 [0,1,0,0,0,1|1,0,0]=3 2025 B11R1.25 CNC(=O)NCc1ncco1 273464a_100016994969_100102657272 [0,1,0,0,0,1|1,0,0]=3 2026 B11R1.25 CNC(=O)NCc1ncco1 273464a_100102657272_100016994969 [0,1,0,0,0,1|1,0,0]=3 2027 B11R1.25 CNC(=O)NCc1ncco1 512a_100016994969_100102657272 [0,1,0,0,0,1|1,0,0]=3 2028 B11R1.25 CNC(=O)NCc1ncco1 512a_106832991638_100016994969 [0,1,0,0,0,1|1,0,0]=3 2029 B11R1.25 CNC(=O)NCc1nccs1 2708a_100000740555_106832991635 [0,1,0,0,0,1|1,1,0]=4 2030 B11R1.25 CNC(=O)NCc1nccs1 2708a_100102657272_100000740555 [0,1,0,0,0,1|1,1,0]=4 2031 B11R1.25 CNC(=O)NCc1nccs1 273464a_100000740555_100102657272 [0,1,0,0,0,1|1,1,0]=4 2032 B11R1.25 CNC(=O)NCc1nccs1 273464a_100102657272_100000740555 [0,1,0,0,0,1|1,1,0]=4 2033 B11R1.25 CNC(=O)NCc1nccs1 512a_100000740555_100102657272 [0,1,0,0,0,1|1,1,0]=4 2034 B11R1.25 CNC(=O)NCc1nccs1 512a_106832991638_100000740555 [0,1,0,0,0,1|1,1,0]=4 2035 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,1,0,0,0,1|1,0,1]=4 2036 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,1,0,0,0,1|1,0,1]=4 2037 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [0,1,0,0,0,1|2,0,0]=4 2038 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [0,1,0,0,0,1|2,0,0]=4 2039 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000747449_100000756875 [0,1,0,0,0,1|2,0,0]=4 2040 B11R1.25 COC(=O)CSc1c[nH]cn1 62a_100000756875_100000747449 [0,1,0,0,0,1|2,0,0]=4 2041 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000062575_100000747449 [0,1,0,0,0,1|2,0,0]=4 2042 B11R1.25 COC(=O)CSc1cc[nH]n1 62a_100000747449_100000062575 [0,1,0,0,0,1|2,0,0]=4 2043 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,0,1|0,0,0]=2 2044 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,0,1|0,0,0]=2 2045 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,1,0,0,0,1|0,1,0]=3 2046 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,1,0,0,0,1|0,1,0]=3 2047 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,1,0,0,0,1|2,0,0]=4 2048 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,1,0,0,0,1|2,0,0]=4 2049 B11R1.25 COC(=O)CSc1ccon1 62a_100000747449_100009818083 [0,1,0,0,0,1|2,0,0]=4 2050 B11R1.25 COC(=O)CSc1ccon1 62a_100009818083_100000747449 [0,1,0,0,0,1|2,0,0]=4 2051 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,1,0,0,0,1|2,0,0]=4 2052 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,1,0,0,0,1|2,0,0]=4 2053 B11R1.25 COC(=O)CSc1ccsn1 62a_100000747449_100009818082 [0,1,0,0,0,1|2,0,0]=4 2054 B11R1.25 COC(=O)CSc1ccsn1 62a_100009818082_100000747449 [0,1,0,0,0,1|2,0,0]=4 2055 B11R1.25 COC(=O)CSc1cnco1 62a_100000747449_100020591547 [0,1,0,0,0,1|1,0,0]=3 2056 B11R1.25 COC(=O)CSc1cnco1 62a_100020591547_100000747449 [0,1,0,0,0,1|1,0,0]=3 2057 B11R1.25 COC(=O)CSc1cncs1 62a_100000747449_100011934649 [0,1,0,0,0,1|1,1,0]=4 2058 B11R1.25 COC(=O)CSc1cncs1 62a_100011934649_100000747449 [0,1,0,0,0,1|1,1,0]=4 2059 B11R1.25 COC(=O)CSc1cscn1 62a_100000747449_100000751502 [0,1,0,0,0,1|2,0,0]=4 2060 B11R1.25 COC(=O)CSc1cscn1 62a_100000751502_100000747449 [0,1,0,0,0,1|2,0,0]=4 2061 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100000747449_100025796157 [0,1,0,0,0,1|2,0,0]=4 2062 B11R1.25 COC(=O)CSc1ncc[nH]1 62a_100025796157_100000747449 [0,1,0,0,0,1|2,0,0]=4 2063 B11R1.25 COC(=O)CSc1ncco1 62a_100000747449_100011787736 [0,1,0,0,0,1|1,0,0]=3 2064 B11R1.25 COC(=O)CSc1ncco1 62a_100011787736_100000747449 [0,1,0,0,0,1|1,0,0]=3 2065 B11R1.25 COC(=O)CSc1nccs1 62a_100000211983_100000747449 [0,1,0,0,0,1|1,1,0]=4 2066 B11R1.25 COC(=O)CSc1nccs1 62a_100000747449_100000211983 [0,1,0,0,0,1|1,1,0]=4 2067 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100000059175_100009814098 [0,1,0,0,0,1|0,0,2]=4 2068 B11R1.25 C[C@@H](CO)CSc1ccco1 62a_100009814098_100000059175 [0,1,0,0,0,1|0,0,2]=4 2069 B11R1.25 C[C@H](CF)NCc1ccco1 207a_100102880703_100000186105 [0,1,0,0,0,1|1,0,1]=4 2070 B11R1.25 C[C@H](CF)NCc1ccco1 270004a_100102880703_100000186105 [0,1,0,0,0,1|1,0,1]=4 2071 B11R1.25 C[C@H](CO)NCc1ccco1 207a_100000737577_100000186105 [0,1,0,0,0,1|0,0,2]=4 2072 B11R1.25 C[C@H](CO)NCc1ccco1 270004a_100000737577_100000186105 [0,1,0,0,0,1|0,0,2]=4 2073 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,1,0,0,0,1|0,1,1]=4 2074 B11R1.25 O=C(CF)CCc1cc[nH]c1 1458a_200000093579_100015361967 [0,1,0,0,0,1|2,0,0]=4 2075 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,0,0,1|1,0,0]=3 2076 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,0,0,1|0,0,0]=2 2077 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,0,0,1|0,1,0]=3 2078 B11R1.25 O=C(CF)CCc1ccsc1 1458a_100000195497_100015361967 [0,1,0,0,0,1|2,0,0]=4 2079 B11R1.25 O=C(CF)CCc1cnc[nH]1 1458a_100000044180_100015361967 [0,1,0,0,0,1|2,0,0]=4 2080 B11R1.25 O=C(CF)CCc1cncs1 1458a_100012184922_100015361967 [0,1,0,0,0,1|1,1,0]=4 2081 B11R1.25 O=C(CF)CCc1ncc[nH]1 1458a_100000722789_100015361967 [0,1,0,0,0,1|2,0,0]=4 2082 B11R1.25 O=C(CF)CCc1nccs1 1458a_100000742873_100015361967 [0,1,0,0,0,1|1,1,0]=4 2083 B11R1.25 O=C(CF)CCn1cccc1 1458a_100011196273_100015361967 [0,1,0,0,0,1|2,0,0]=4 2084 B11R1.25 O=C(CF)CCn1cccn1 1458a_100000242649_100015361967 [0,1,0,0,0,1|2,0,0]=4 2085 B11R1.25 O=C(CO)CCc1c[nH]cn1 1458a_100000210174_100020628418 [0,1,0,0,0,1|2,0,0]=4 2086 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,0,1|0,1,0]=3 2087 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [0,1,0,0,0,1|2,0,0]=4 2088 B11R1.25 O=C(CO)CCn1cccn1 1458a_100000210174_100000685285 [0,1,0,0,0,1|2,0,0]=4 2089 B11R1.25 O=C(CO)NCc1c[nH]cn1 240690a_100000758547_100000210174 [0,1,0,0,0,1|2,0,0]=4 2090 B11R1.25 O=C(CO)NCc1c[nH]cn1 527a_100000758547_100000210174 [0,1,0,0,0,1|2,0,0]=4 2091 B11R1.25 O=C(CO)NCc1cc[nH]n1 240690a_100000739516_100000210174 [0,1,0,0,0,1|2,0,0]=4 2092 B11R1.25 O=C(CO)NCc1cc[nH]n1 527a_100000739516_100000210174 [0,1,0,0,0,1|2,0,0]=4 2093 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,1,0,0,0,1|1,0,0]=3 2094 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,1,0,0,0,1|1,0,0]=3 2095 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,0,0,1|0,0,0]=2 2096 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,0,0,1|0,0,0]=2 2097 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,1,0,0,0,1|0,1,0]=3 2098 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,1,0,0,0,1|0,1,0]=3 2099 B11R1.25 O=C(CO)NCc1ccoc1 240690a_100015206860_100000210174 [0,1,0,0,0,1|2,0,0]=4 2100 B11R1.25 O=C(CO)NCc1ccoc1 527a_100015206860_100000210174 [0,1,0,0,0,1|2,0,0]=4 2101 B11R1.25 O=C(CO)NCc1ccon1 240690a_100000688301_100000210174 [0,1,0,0,0,1|2,0,0]=4 2102 B11R1.25 O=C(CO)NCc1ccon1 527a_100000688301_100000210174 [0,1,0,0,0,1|2,0,0]=4 2103 B11R1.25 O=C(CO)NCc1ccsc1 240690a_100000186416_100000210174 [0,1,0,0,0,1|2,0,0]=4 2104 B11R1.25 O=C(CO)NCc1ccsc1 527a_100000186416_100000210174 [0,1,0,0,0,1|2,0,0]=4 2105 B11R1.25 O=C(CO)NCc1cnco1 240690a_100020634212_100000210174 [0,1,0,0,0,1|1,0,0]=3 2106 B11R1.25 O=C(CO)NCc1cnco1 527a_100020634212_100000210174 [0,1,0,0,0,1|1,0,0]=3 2107 B11R1.25 O=C(CO)NCc1cncs1 240690a_100016987365_100000210174 [0,1,0,0,0,1|1,1,0]=4 2108 B11R1.25 O=C(CO)NCc1cncs1 527a_100016987365_100000210174 [0,1,0,0,0,1|1,1,0]=4 2109 B11R1.25 O=C(CO)NCc1cocn1 240690a_100015188801_100000210174 [0,1,0,0,0,1|2,0,0]=4 2110 B11R1.25 O=C(CO)NCc1cocn1 527a_100015188801_100000210174 [0,1,0,0,0,1|2,0,0]=4 2111 B11R1.25 O=C(CO)NCc1cscn1 240690a_100015185402_100000210174 [0,1,0,0,0,1|2,0,0]=4 2112 B11R1.25 O=C(CO)NCc1cscn1 527a_100015185402_100000210174 [0,1,0,0,0,1|2,0,0]=4 2113 B11R1.25 O=C(CO)NCc1ncc[nH]1 240690a_100000754540_100000210174 [0,1,0,0,0,1|2,0,0]=4 2114 B11R1.25 O=C(CO)NCc1ncc[nH]1 527a_100000754540_100000210174 [0,1,0,0,0,1|2,0,0]=4 2115 B11R1.25 O=C(CO)NCc1ncco1 240690a_100016994969_100000210174 [0,1,0,0,0,1|1,0,0]=3 2116 B11R1.25 O=C(CO)NCc1ncco1 527a_100016994969_100000210174 [0,1,0,0,0,1|1,0,0]=3 2117 B11R1.25 O=C(CO)NCc1nccs1 240690a_100000740555_100000210174 [0,1,0,0,0,1|1,1,0]=4 2118 B11R1.25 O=C(CO)NCc1nccs1 527a_100000740555_100000210174 [0,1,0,0,0,1|1,1,0]=4 2119 B11R1.25 OCC(O)CSc1ccco1 62a_100009814098_100011219619 [0,1,0,0,0,1|0,0,2]=4 2120 B11R1.25 OCC(O)CSc1ccco1 62a_100011219619_100009814098 [0,1,0,0,0,1|0,0,2]=4 2121 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009814098_100009815848 [0,1,0,0,0,1|0,0,2]=4 2122 B11R1.25 OC[C@H](O)CSc1ccco1 62a_100009815848_100009814098 [0,1,0,0,0,1|0,0,2]=4 2123 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100009814098_100015614560 [0,1,0,0,0,1|0,0,2]=4 2124 B11R1.25 O[C@@H](CF)CSc1ccco1 62a_100015614560_100009814098 [0,1,0,0,0,1|0,0,2]=4 2125 B11R1.35 C=C(C)C(=O)Cc1ncco1 1458a_100000185857_103436540062 [0,1,0,0,0,1|2,0,0]=4 2126 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,1,0,0,0,1|0,0,1]=3 2127 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,1,0,0,0,1|0,0,1]=3 2128 B11R1.35 CC(=O)C(C)Cn1cccn1 1458a_100000740329_200000210301 [0,1,0,0,0,1|2,0,0]=4 2129 B11R1.35 CC(=O)C(C)Oc1ccsc1 7a_100000106738_100000179758 [0,1,0,0,0,1|2,0,0]=4 2130 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100000756875_100009814033 [0,1,0,0,0,1|2,0,0]=4 2131 B11R1.35 CC(=O)C(C)Sc1c[nH]cn1 62a_100009814033_100000756875 [0,1,0,0,0,1|2,0,0]=4 2132 B11R1.35 CC(=O)C(C)Sc1cc[nH]n1 62a_100000062575_100009814033 [0,1,0,0,0,1|2,0,0]=4 2133 B11R1.35 CC(=O)C(C)Sc1cc[nH]n1 62a_100009814033_100000062575 [0,1,0,0,0,1|2,0,0]=4 2134 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814033_100009814098 [0,1,0,0,0,1|0,0,0]=2 2135 B11R1.35 CC(=O)C(C)Sc1ccco1 62a_100009814098_100009814033 [0,1,0,0,0,1|0,0,0]=2 2136 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100009814033_100011215356 [0,1,0,0,0,1|0,1,0]=3 2137 B11R1.35 CC(=O)C(C)Sc1cccs1 62a_100011215356_100009814033 [0,1,0,0,0,1|0,1,0]=3 2138 B11R1.35 CC(=O)C(C)Sc1ccoc1 62a_100009814033_100011215275 [0,1,0,0,0,1|2,0,0]=4 2139 B11R1.35 CC(=O)C(C)Sc1ccoc1 62a_100011215275_100009814033 [0,1,0,0,0,1|2,0,0]=4 2140 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009814033_100009818083 [0,1,0,0,0,1|2,0,0]=4 2141 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009818083_100009814033 [0,1,0,0,0,1|2,0,0]=4 2142 B11R1.35 CC(=O)C(C)Sc1ccsc1 62a_100000738268_100009814033 [0,1,0,0,0,1|2,0,0]=4 2143 B11R1.35 CC(=O)C(C)Sc1ccsc1 62a_100009814033_100000738268 [0,1,0,0,0,1|2,0,0]=4 2144 B11R1.35 CC(=O)C(C)Sc1ccsn1 62a_100009814033_100009818082 [0,1,0,0,0,1|2,0,0]=4 2145 B11R1.35 CC(=O)C(C)Sc1ccsn1 62a_100009818082_100009814033 [0,1,0,0,0,1|2,0,0]=4 2146 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100009814033_100020591547 [0,1,0,0,0,1|1,0,0]=3 2147 B11R1.35 CC(=O)C(C)Sc1cnco1 62a_100020591547_100009814033 [0,1,0,0,0,1|1,0,0]=3 2148 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100009814033_100011934649 [0,1,0,0,0,1|1,1,0]=4 2149 B11R1.35 CC(=O)C(C)Sc1cncs1 62a_100011934649_100009814033 [0,1,0,0,0,1|1,1,0]=4 2150 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100000751502_100009814033 [0,1,0,0,0,1|2,0,0]=4 2151 B11R1.35 CC(=O)C(C)Sc1cscn1 62a_100009814033_100000751502 [0,1,0,0,0,1|2,0,0]=4 2152 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100009814033_100025796157 [0,1,0,0,0,1|2,0,0]=4 2153 B11R1.35 CC(=O)C(C)Sc1ncc[nH]1 62a_100025796157_100009814033 [0,1,0,0,0,1|2,0,0]=4 2154 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100009814033_100011787736 [0,1,0,0,0,1|1,0,0]=3 2155 B11R1.35 CC(=O)C(C)Sc1ncco1 62a_100011787736_100009814033 [0,1,0,0,0,1|1,0,0]=3 2156 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100000211983_100009814033 [0,1,0,0,0,1|1,1,0]=4 2157 B11R1.35 CC(=O)C(C)Sc1nccs1 62a_100009814033_100000211983 [0,1,0,0,0,1|1,1,0]=4 2158 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,0,0,1|0,0,0]=2 2159 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,0,0,1|0,0,0]=2 2160 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,0,0,1|0,0,0]=2 2161 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,0,0,1|0,1,0]=3 2162 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,0,0,1|0,1,0]=3 2163 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,0,0,1|0,1,0]=3 2164 B11R1.35 CC(=O)N(C)Cc1ccon1 11a_100000757864_100015343762 [0,1,0,0,0,1|2,0,0]=4 2165 B11R1.35 CC(=O)N(C)Cc1ccon1 240690a_100000757864_100015343762 [0,1,0,0,0,1|2,0,0]=4 2166 B11R1.35 CC(=O)N(C)Cc1ccon1 527a_100000757864_100103153847 [0,1,0,0,0,1|2,0,0]=4 2167 B11R1.35 CC(=O)N(C)Cc1ccsc1 11a_100020654213_100015343762 [0,1,0,0,0,1|2,0,0]=4 2168 B11R1.35 CC(=O)N(C)Cc1ccsc1 240690a_100020654213_100015343762 [0,1,0,0,0,1|2,0,0]=4 2169 B11R1.35 CC(=O)N(C)Cc1ccsc1 527a_100020654213_100103153847 [0,1,0,0,0,1|2,0,0]=4 2170 B11R1.35 CC(=O)N(C)Cc1cscn1 11a_100000225794_100015343762 [0,1,0,0,0,1|2,0,0]=4 2171 B11R1.35 CC(=O)N(C)Cc1cscn1 240690a_100000225794_100015343762 [0,1,0,0,0,1|2,0,0]=4 2172 B11R1.35 CC(=O)N(C)Cc1cscn1 527a_100000225794_100103153847 [0,1,0,0,0,1|2,0,0]=4 2173 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 11a_100015184136_100015343762 [0,1,0,0,0,1|2,0,0]=4 2174 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 240690a_100015184136_100015343762 [0,1,0,0,0,1|2,0,0]=4 2175 B11R1.35 CC(=O)N(C)Cc1ncc[nH]1 527a_100015184136_100103153847 [0,1,0,0,0,1|2,0,0]=4 2176 B11R1.35 CC(=O)N(C)Cc1nccs1 11a_100000765864_100015343762 [0,1,0,0,0,1|1,1,0]=4 2177 B11R1.35 CC(=O)N(C)Cc1nccs1 240690a_100000765864_100015343762 [0,1,0,0,0,1|1,1,0]=4 2178 B11R1.35 CC(=O)N(C)Cc1nccs1 527a_100000765864_100103153847 [0,1,0,0,0,1|1,1,0]=4 2179 B11R1.35 CC(C)C(=O)Cc1ccco1 1458a_100011217309_100000210206 [0,1,0,0,0,1|1,0,1]=4 2180 B11R1.35 CC(C)N(C)Cc1ccco1 2230a_100000185268_100000210206 [0,1,0,0,0,1|1,0,1]=4 2181 B11R1.35 CC(C)N(C)Cc1ccco1 269982a_100000185268_100000210206 [0,1,0,0,0,1|1,0,1]=4 2182 B11R1.35 CC(C)N(C)Cc1ccco1 270004a_200000211004_100000186105 [0,1,0,0,0,1|1,0,1]=4 2183 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,1,0,0,0,1|2,0,0]=4 2184 B11R1.35 CC(Cn1cccn1)C(=O)[13CH3] 1458a_100000740329_200025704644 [0,1,0,0,0,1|2,0,0]=4 2185 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100000702099_100009814098 [0,1,0,0,0,1|1,0,0]=3 2186 B11R1.35 CC(Sc1ccco1)C(=O)N 62a_100009814098_100000702099 [0,1,0,0,0,1|1,0,0]=3 2187 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100000702099_100011215356 [0,1,0,0,0,1|1,1,0]=4 2188 B11R1.35 CC(Sc1cccs1)C(=O)N 62a_100011215356_100000702099 [0,1,0,0,0,1|1,1,0]=4 2189 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100000702099_100020591547 [0,1,0,0,0,1|2,0,0]=4 2190 B11R1.35 CC(Sc1cnco1)C(=O)N 62a_100020591547_100000702099 [0,1,0,0,0,1|2,0,0]=4 2191 B11R1.35 CC(Sc1ncco1)C(=O)N 62a_100000702099_100011787736 [0,1,0,0,0,1|2,0,0]=4 2192 B11R1.35 CC(Sc1ncco1)C(=O)N 62a_100011787736_100000702099 [0,1,0,0,0,1|2,0,0]=4 2193 B11R1.35 CN(C)C(=O)Cc1ccco1 11a_100102631434_100011217309 [0,1,0,0,0,1|2,0,0]=4 2194 B11R1.35 CN(C)C(=O)Cc1ccco1 527a_100102631434_100011217309 [0,1,0,0,0,1|2,0,0]=4 2195 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009813875_100009814098 [0,1,0,0,0,1|1,0,0]=3 2196 B11R1.35 NC(=O)C(F)Sc1ccco1 62a_100009814098_100009813875 [0,1,0,0,0,1|1,0,0]=3 2197 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100009813875_100011215356 [0,1,0,0,0,1|1,1,0]=4 2198 B11R1.35 NC(=O)C(F)Sc1cccs1 62a_100011215356_100009813875 [0,1,0,0,0,1|1,1,0]=4 2199 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100009813875_100020591547 [0,1,0,0,0,1|2,0,0]=4 2200 B11R1.35 NC(=O)C(F)Sc1cnco1 62a_100020591547_100009813875 [0,1,0,0,0,1|2,0,0]=4 2201 B11R1.35 NC(=O)C(F)Sc1ncco1 62a_100009813875_100011787736 [0,1,0,0,0,1|2,0,0]=4 2202 B11R1.35 NC(=O)C(F)Sc1ncco1 62a_100011787736_100009813875 [0,1,0,0,0,1|2,0,0]=4 2203 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100009814098_100020610796 [0,1,0,0,0,1|1,0,0]=3 2204 B11R1.35 O=C([O-])C(F)Sc1ccco1 62a_100020610796_100009814098 [0,1,0,0,0,1|1,0,0]=3 2205 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100011215356_100020610796 [0,1,0,0,0,1|1,1,0]=4 2206 B11R1.35 O=C([O-])C(F)Sc1cccs1 62a_100020610796_100011215356 [0,1,0,0,0,1|1,1,0]=4 2207 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020591547_100020610796 [0,1,0,0,0,1|2,0,0]=4 2208 B11R1.35 O=C([O-])C(F)Sc1cnco1 62a_100020610796_100020591547 [0,1,0,0,0,1|2,0,0]=4 2209 B11R1.35 O=C([O-])C(F)Sc1ncco1 62a_100011787736_100020610796 [0,1,0,0,0,1|2,0,0]=4 2210 B11R1.35 O=C([O-])C(F)Sc1ncco1 62a_100020610796_100011787736 [0,1,0,0,0,1|2,0,0]=4 2211 B11R1.75 C=C(C)CSc1cc(cs1)C 62a_100000748629_100009876951 [0,1,0,0,0,1|1,1,0]=4 2212 B11R1.75 C=C(C)CSc1cc(cs1)C 62a_100009876951_100000211660 [0,1,0,0,0,1|1,1,0]=4 2213 B11R1.75 C=C(C)CSc1ccc(s1)Br 62a_100000748629_100010197418 [0,1,0,0,0,1|1,1,0]=4 2214 B11R1.75 C=C(C)CSc1ccc(s1)Br 62a_100010197418_100000211660 [0,1,0,0,0,1|1,1,0]=4 2215 B11R1.75 C=C(C)CSc1ccc(s1)C 62a_100000031368_100000211660 [0,1,0,0,0,1|1,1,0]=4 2216 B11R1.75 C=C(C)CSc1ccc(s1)C 62a_100000748629_100000031368 [0,1,0,0,0,1|1,1,0]=4 2217 B11R1.75 CC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200000210301 [0,1,0,0,0,1|0,1,1]=4 2218 B11R1.75 CC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200000210301 [0,1,0,0,0,1|0,0,1]=3 2219 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,0,0,1|0,0,1]=3 2220 B11R1.75 CC(=O)C=Cc1ccc(o1)I 1458a_100000679848_200000210301 [0,1,0,0,0,1|0,0,1]=3 2221 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,1,0,0,0,1|0,1,1]=4 2222 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,0,0,1|0,1,1]=4 2223 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,1,0,0,0,1|0,1,1]=4 2224 B11R1.75 CC(=O)CCc1cc(no1)Cl 1458a_100000022696_200000210301 [0,1,0,0,0,1|1,0,0]=3 2225 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,0,0,1|2,0,0]=4 2226 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,1,0,0,0,1|2,0,0]=4 2227 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000070787_100011353933 [0,1,0,0,0,1|2,0,0]=4 2228 B11R1.75 CC(=O)CCn1cc(cn1)Cl 1458a_100000743157_200000210301 [0,1,0,0,0,1|2,0,0]=4 2229 B11R1.75 CC(=O)CCn1cc(cn1)I 1458a_100012072392_200000210301 [0,1,0,0,0,1|2,0,0]=4 2230 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,0,0,1|2,0,0]=4 2231 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,0,0,1|2,0,0]=4 2232 B11R1.75 CC(=O)CSc1nnc(o1)C 1458a_200000179512_200000210301 [0,1,0,0,0,1|2,0,0]=4 2233 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,0,0,1|0,1,0]=3 2234 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,0,0,1|0,1,0]=3 2235 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,0,0,1|0,1,0]=3 2236 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,0,0,1|0,1,0]=3 2237 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,0,0,1|0,1,0]=3 2238 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,0,0,1|0,1,0]=3 2239 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,0,0,1|0,1,0]=3 2240 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,0,0,1|0,1,0]=3 2241 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 11a_100025702664_100015343762 [0,1,0,0,0,1|2,0,0]=4 2242 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 240690a_100025702664_100015343762 [0,1,0,0,0,1|2,0,0]=4 2243 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 527a_100025702664_100103153847 [0,1,0,0,0,1|2,0,0]=4 2244 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,1,0,0,0,1|1,0,0]=3 2245 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,1,0,0,0,1|1,0,0]=3 2246 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,1,0,0,0,1|1,0,0]=3 2247 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,1,0,0,0,1|1,0,0]=3 2248 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,1,0,0,0,1|1,0,0]=3 2249 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,1,0,0,0,1|1,0,0]=3 2250 B11R1.75 CC(=O)NCc1cc(on1)C 11a_100000745230_100015343762 [0,1,0,0,0,1|2,0,0]=4 2251 B11R1.75 CC(=O)NCc1cc(on1)C 240690a_100000745230_100015343762 [0,1,0,0,0,1|2,0,0]=4 2252 B11R1.75 CC(=O)NCc1cc(on1)C 527a_100000745230_100103153847 [0,1,0,0,0,1|2,0,0]=4 2253 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,0,0,1|0,0,0]=2 2254 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,0,0,1|0,0,0]=2 2255 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,0,0,1|0,0,0]=2 2256 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,0,0,1|0,0,0]=2 2257 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,0,0,1|0,0,0]=2 2258 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,0,0,1|0,0,0]=2 2259 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,0,0,1|0,0,0]=2 2260 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,0,0,1|0,0,0]=2 2261 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,0,0,1|0,1,0]=3 2262 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,0,0,1|0,1,0]=3 2263 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,0,0,1|0,1,0]=3 2264 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,0,0,1|0,1,0]=3 2265 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,0,0,1|0,1,0]=3 2266 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,0,0,1|0,1,0]=3 2267 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,0,0,1|0,1,0]=3 2268 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,0,0,1|0,1,0]=3 2269 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,0,0,1|0,1,0]=3 2270 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,0,0,1|0,1,0]=3 2271 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,0,0,1|0,1,0]=3 2272 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,0,0,1|0,1,0]=3 2273 B11R1.75 CC(=O)NCc1ccn(n1)C 11a_100020636201_100015343762 [0,1,0,0,0,1|2,0,0]=4 2274 B11R1.75 CC(=O)NCc1ccn(n1)C 240690a_100020636201_100015343762 [0,1,0,0,0,1|2,0,0]=4 2275 B11R1.75 CC(=O)NCc1ccn(n1)C 527a_100020636201_100103153847 [0,1,0,0,0,1|2,0,0]=4 2276 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,1,0,0,0,1|2,0,0]=4 2277 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,1,0,0,0,1|2,0,0]=4 2278 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,1,0,0,0,1|2,0,0]=4 2279 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,1,0,0,0,1|2,0,0]=4 2280 B11R1.75 CC(=O)NCc1cnc(s1)Br 11a_100000726991_100015343762 [0,1,0,0,0,1|1,1,0]=4 2281 B11R1.75 CC(=O)NCc1cnc(s1)Br 240690a_100000726991_100015343762 [0,1,0,0,0,1|1,1,0]=4 2282 B11R1.75 CC(=O)NCc1cnc(s1)Br 527a_100000726991_100103153847 [0,1,0,0,0,1|1,1,0]=4 2283 B11R1.75 CC(=O)NCc1cnc(s1)C 11a_200000743601_100015343762 [0,1,0,0,0,1|1,1,0]=4 2284 B11R1.75 CC(=O)NCc1cnc(s1)C 1626a_200000743601_100015343762 [0,1,0,0,0,1|1,1,0]=4 2285 B11R1.75 CC(=O)NCc1cnc(s1)C 240690a_200000743601_100015343762 [0,1,0,0,0,1|1,1,0]=4 2286 B11R1.75 CC(=O)NCc1cnc(s1)C 527a_200000743601_100103153847 [0,1,0,0,0,1|1,1,0]=4 2287 B11R1.75 CC(=O)NCc1cnc(s1)Cl 11a_100000726635_100015343762 [0,1,0,0,0,1|1,1,0]=4 2288 B11R1.75 CC(=O)NCc1cnc(s1)Cl 1626a_100000726635_100015343762 [0,1,0,0,0,1|1,1,0]=4 2289 B11R1.75 CC(=O)NCc1cnc(s1)Cl 240690a_100000726635_100015343762 [0,1,0,0,0,1|1,1,0]=4 2290 B11R1.75 CC(=O)NCc1cnc(s1)Cl 527a_100000726635_100103153847 [0,1,0,0,0,1|1,1,0]=4 2291 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,1,0,0,0,1|2,0,0]=4 2292 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,1,0,0,0,1|2,0,0]=4 2293 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,1,0,0,0,1|2,0,0]=4 2294 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,1,0,0,0,1|2,0,0]=4 2295 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,1,0,0,0,1|1,1,0]=4 2296 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,1,0,0,0,1|1,1,0]=4 2297 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,1,0,0,0,1|1,1,0]=4 2298 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,1,0,0,0,1|1,1,0]=4 2299 B11R1.75 CC(=O)NCc1nc(no1)C 270196a_100000212224_100000194580 [0,1,0,0,0,1|2,0,0]=4 2300 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,0,0,1|1,0,0]=3 2301 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,0,0,1|1,0,0]=3 2302 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,0,0,1|1,0,0]=3 2303 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,0,0,1|1,0,0]=3 2304 B11R1.75 CC(=O)NCc1ncc(s1)Br 11a_100016991807_100015343762 [0,1,0,0,0,1|1,1,0]=4 2305 B11R1.75 CC(=O)NCc1ncc(s1)Br 240690a_100016991807_100015343762 [0,1,0,0,0,1|1,1,0]=4 2306 B11R1.75 CC(=O)NCc1ncc(s1)Br 527a_100016991807_100103153847 [0,1,0,0,0,1|1,1,0]=4 2307 B11R1.75 CC(=O)NCc1nnc(o1)C 11a_200000236979_100015343762 [0,1,0,0,0,1|2,0,0]=4 2308 B11R1.75 CC(=O)NCc1nnc(o1)C 240690a_200000236979_100015343762 [0,1,0,0,0,1|2,0,0]=4 2309 B11R1.75 CC(=O)NCc1nnc(o1)C 527a_200000236979_100103153847 [0,1,0,0,0,1|2,0,0]=4 2310 B11R1.75 CC(=O)OCc1nc(no1)C 270196a_100000212224_100000183556 [0,1,0,0,0,1|2,0,0]=4 2311 B11R1.75 CC(=O)SCc1nc(no1)C 270196a_100000212224_100000049016 [0,1,0,0,0,1|2,0,0]=4 2312 B11R1.75 CC(C)NCc1ccc(o1)Br 207a_100138425928_100000185145 [0,1,0,0,0,1|1,0,1]=4 2313 B11R1.75 CC(C)NCc1ccc(o1)Br 34a_100000708654_100000210206 [0,1,0,0,0,1|1,0,1]=4 2314 B11R1.75 CC(C)NCc1ccc(o1)Cl 207a_100138425928_100000188459 [0,1,0,0,0,1|1,0,1]=4 2315 B11R1.75 CC(C)NCc1ccc(o1)I 207a_100138425928_100000186757 [0,1,0,0,0,1|1,0,1]=4 2316 B11R1.75 CC(C)OCc1ccc(o1)Br 34a_100000246276_100000210206 [0,1,0,0,0,1|1,0,1]=4 2317 B11R1.75 CC(C)OCc1ccc(o1)Br 7a_100000246276_100000210206 [0,1,0,0,0,1|1,0,1]=4 2318 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,0,0,1|0,0,1]=3 2319 B11R1.75 Cc1ccc(o1)CNC(C)C 207a_100138425928_100000183696 [0,1,0,0,0,1|1,0,1]=4 2320 B11R1.75 Cc1ccc(o1)CNC(C)C 34a_100011194323_100000210206 [0,1,0,0,0,1|1,0,1]=4 2321 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,1,0,0,0,1|1,0,1]=4 2322 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,1,0,0,0,1|1,0,1]=4 2323 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,0,0,1|0,1,1]=4 2324 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [0,1,0,0,0,1|1,1,0]=4 2325 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [0,1,0,0,0,1|1,1,0]=4 2326 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [0,1,0,0,0,1|1,1,0]=4 2327 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [0,1,0,0,0,1|1,1,0]=4 2328 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,0,0,1|2,0,0]=4 2329 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,1,0,0,0,1|2,0,0]=4 2330 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100000747473_100009876951 [0,1,0,0,0,1|1,1,0]=4 2331 B11R1.75 Cc1csc(c1)SCC(=O)N 62a_100009876951_100000747473 [0,1,0,0,0,1|1,1,0]=4 2332 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100009876951_100020667443 [0,1,0,0,0,1|1,1,0]=4 2333 B11R1.75 Cc1csc(c1)SCC(=O)[O-] 62a_100020667443_100009876951 [0,1,0,0,0,1|1,1,0]=4 2334 B11R1.75 Cc1nnc(o1)SCC(=O)[13CH3] 1458a_200000179512_200025704644 [0,1,0,0,0,1|2,0,0]=4 2335 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100000747473_100010197418 [0,1,0,0,0,1|1,1,0]=4 2336 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747473 [0,1,0,0,0,1|1,1,0]=4 2337 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100010197418_100020667443 [0,1,0,0,0,1|1,1,0]=4 2338 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100020667443_100010197418 [0,1,0,0,0,1|1,1,0]=4 2339 B11R1.75 [13CH3]C(=O)C=Cc1cc(cs1)Br 1458a_100102601599_200025704644 [0,1,0,0,0,1|0,1,1]=4 2340 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)Br 1458a_100000182240_200025704644 [0,1,0,0,0,1|0,0,1]=3 2341 B11R1.75 [13CH3]C(=O)C=Cc1ccc(o1)I 1458a_100000679848_200025704644 [0,1,0,0,0,1|0,0,1]=3 2342 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,1,0,0,0,1|0,1,1]=4 2343 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,1,0,0,0,1|0,1,1]=4 2344 B11R1.75 [13CH3]C(=O)CCc1cc(no1)Cl 1458a_100000022696_200025704644 [0,1,0,0,0,1|1,0,0]=3 2345 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)Cl 1458a_100000743157_200025704644 [0,1,0,0,0,1|2,0,0]=4 2346 B11R1.75 [13CH3]C(=O)CCn1cc(cn1)I 1458a_100012072392_200025704644 [0,1,0,0,0,1|2,0,0]=4 2347 B11R1.77 CC(=O)CC(=O)c1ccc[nH]1 1458a_100000070787_200011262396 [0,1,0,0,0,1|1,0,0]=3 2348 B11R1.77 CC(=O)CC(=O)c1ccco1 1458a_100000070787_100000211439 [0,1,0,0,0,1|0,0,0]=2 2349 B11R1.77 CC(=O)CC(=O)c1cccs1 1458a_100000070787_100000211436 [0,1,0,0,0,1|0,1,0]=3 2350 B11R1.77 CC(=O)CC(=O)c1ccsc1 1458a_100000070787_100011219462 [0,1,0,0,0,1|2,0,0]=4 2351 B11R1.77 CC(=O)CC(=O)c1nccs1 1458a_100000070787_100000718653 [0,1,0,0,0,1|1,1,0]=4 2352 B11R1.77 CC(=O)CC(=O)n1cccn1 1458a_100000070787_100000077511 [0,1,0,0,0,1|2,0,0]=4 2353 B11R1.77 CC(=O)CC(C)n1cccn1 1458a_100011311474_200000210301 [0,1,0,0,0,1|2,0,0]=4 2354 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,0,0,1|0,1,0]=3 2355 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,0,0,1|0,1,0]=3 2356 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,0,0,1|0,1,0]=3 2357 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,0,0,1|0,1,0]=3 2358 B11R1.77 CC(=O)NC(C)c1ccoc1 11a_100000690049_100015343762 [0,1,0,0,0,1|2,0,0]=4 2359 B11R1.77 CC(=O)NC(C)c1ccoc1 1626a_100000690049_100015343762 [0,1,0,0,0,1|2,0,0]=4 2360 B11R1.77 CC(=O)NC(C)c1ccoc1 240690a_100000690049_100015343762 [0,1,0,0,0,1|2,0,0]=4 2361 B11R1.77 CC(=O)NC(C)c1ccoc1 527a_100000690049_100103153847 [0,1,0,0,0,1|2,0,0]=4 2362 B11R1.77 CC(=O)NC(C)c1ccsc1 11a_100000748604_100015343762 [0,1,0,0,0,1|2,0,0]=4 2363 B11R1.77 CC(=O)NC(C)c1ccsc1 1626a_100000748604_100015343762 [0,1,0,0,0,1|2,0,0]=4 2364 B11R1.77 CC(=O)NC(C)c1ccsc1 240690a_100000748604_100015343762 [0,1,0,0,0,1|2,0,0]=4 2365 B11R1.77 CC(=O)NC(C)c1ccsc1 527a_100000748604_100103153847 [0,1,0,0,0,1|2,0,0]=4 2366 B11R1.77 CC(=O)NC(C)c1nccs1 11a_100000725601_100015343762 [0,1,0,0,0,1|1,1,0]=4 2367 B11R1.77 CC(=O)NC(C)c1nccs1 1626a_100000725601_100015343762 [0,1,0,0,0,1|1,1,0]=4 2368 B11R1.77 CC(=O)NC(C)c1nccs1 240690a_100000725601_100015343762 [0,1,0,0,0,1|1,1,0]=4 2369 B11R1.77 CC(=O)NC(C)c1nccs1 527a_100000725601_100103153847 [0,1,0,0,0,1|1,1,0]=4 2370 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,0,0,1|0,0,0]=2 2371 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,0,0,1|0,0,0]=2 2372 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,0,0,1|0,0,0]=2 2373 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,0,0,1|0,0,0]=2 2374 B11R1.77 CC(C)C[C@H](N)c1ccco1 271570a_100015190218_100009814098 [0,1,0,0,0,1|1,0,1]=4 2375 B11R1.77 CC(C)N[C@H](C)c1ccco1 2230a_100160469435_100000210206 [0,1,0,0,0,1|1,0,1]=4 2376 B11R1.77 CC(C)O[C@@H](C)c1ccco1 34a_100000755270_100000210206 [0,1,0,0,0,1|1,0,1]=4 2377 B11R1.77 CC(C)O[C@@H](C)c1ccco1 7a_100000755270_100000210206 [0,1,0,0,0,1|1,0,1]=4 2378 B11R1.77 CC(CC(=O)[13CH3])n1cccn1 1458a_100011311474_200025704644 [0,1,0,0,0,1|2,0,0]=4 2379 B11R1.77 CN(C)CC(=O)c1ccco1 269982a_100102631434_100000211439 [0,1,0,0,0,1|2,0,0]=4 2380 B11R1.90 C=C(C)CSc1sccc1Br 62a_100000748629_100012361411 [0,1,0,0,0,1|1,1,0]=4 2381 B11R1.90 C=C(C)CSc1sccc1Br 62a_100012361411_100000211660 [0,1,0,0,0,1|1,1,0]=4 2382 B11R1.90 C=C(C)CSc1sccc1C 62a_100000748629_100010247149 [0,1,0,0,0,1|1,1,0]=4 2383 B11R1.90 C=C(C)CSc1sccc1C 62a_100010247149_100000211660 [0,1,0,0,0,1|1,1,0]=4 2384 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,0,0,1|0,1,1]=4 2385 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,1,0,0,0,1|2,0,0]=4 2386 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,0,0,1|2,0,0]=4 2387 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,0,0,1|1,1,0]=4 2388 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,0,0,1|1,1,0]=4 2389 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,0,0,1|2,0,0]=4 2390 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,0,0,1|2,0,0]=4 2391 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,0,0,1|1,0,0]=3 2392 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,0,0,1|1,0,0]=3 2393 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,0,0,1|1,0,0]=3 2394 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,0,0,1|1,0,0]=3 2395 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,1,0,0,0,1|2,0,0]=4 2396 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,1,0,0,0,1|2,0,0]=4 2397 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,1,0,0,0,1|2,0,0]=4 2398 B11R1.90 CC(=O)NCc1ccsc1Br 11a_100000727803_100015343762 [0,1,0,0,0,1|2,0,0]=4 2399 B11R1.90 CC(=O)NCc1ccsc1Br 1626a_100000727803_100015343762 [0,1,0,0,0,1|2,0,0]=4 2400 B11R1.90 CC(=O)NCc1ccsc1Br 240690a_100000727803_100015343762 [0,1,0,0,0,1|2,0,0]=4 2401 B11R1.90 CC(=O)NCc1ccsc1Br 527a_100000727803_100103153847 [0,1,0,0,0,1|2,0,0]=4 2402 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2403 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [0,1,0,0,0,1|2,0,0]=4 2404 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [0,1,0,0,0,1|2,0,0]=4 2405 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,1,0,0,0,1|2,0,0]=4 2406 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,1,0,0,0,1|2,0,0]=4 2407 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,1,0,0,0,1|2,0,0]=4 2408 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,0,0,1|0,1,0]=3 2409 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,0,0,1|0,1,0]=3 2410 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,0,0,1|0,1,0]=3 2411 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,0,0,1|0,1,0]=3 2412 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,0,0,1|0,1,0]=3 2413 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,0,0,1|0,1,0]=3 2414 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,0,0,1|0,1,0]=3 2415 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,0,0,1|0,1,0]=3 2416 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,1,0,0,0,1|1,1,0]=4 2417 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,1,0,0,0,1|1,1,0]=4 2418 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,1,0,0,0,1|1,1,0]=4 2419 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,1,0,0,0,1|1,1,0]=4 2420 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,0,0,1|2,0,0]=4 2421 B11R1.90 Cc1ccoc1CNC(C)C 207a_100138425928_100000763527 [0,1,0,0,0,1|1,0,1]=4 2422 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,1,0,0,0,1|1,0,1]=4 2423 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,1,0,0,0,1|1,0,1]=4 2424 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,0,0,1|0,1,1]=4 2425 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [0,1,0,0,0,1|1,1,0]=4 2426 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [0,1,0,0,0,1|1,1,0]=4 2427 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [0,1,0,0,0,1|1,1,0]=4 2428 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [0,1,0,0,0,1|1,1,0]=4 2429 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,0,0,1|1,1,0]=4 2430 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,0,0,1|2,0,0]=4 2431 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,1,0,0,0,1|2,0,0]=4 2432 B11R1.90 NC(=O)CSc1sccc1Br 62a_100000747473_100012361411 [0,1,0,0,0,1|1,1,0]=4 2433 B11R1.90 NC(=O)CSc1sccc1Br 62a_100012361411_100000747473 [0,1,0,0,0,1|1,1,0]=4 2434 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100012361411_100020667443 [0,1,0,0,0,1|1,1,0]=4 2435 B11R1.90 O=C([O-])CSc1sccc1Br 62a_100020667443_100012361411 [0,1,0,0,0,1|1,1,0]=4 2436 B11R1.510 CC(C)(C)CSc1ccco1 62a_100009814098_100011219605 [0,1,0,0,0,1|1,0,1]=4 2437 B11R1.510 CC(C)(C)CSc1ccco1 62a_100011219605_100009814098 [0,1,0,0,0,1|1,0,1]=4 2438 B11R1.510 CC(C)(C)NCc1ccco1 207a_100000715429_100000186105 [0,1,0,0,0,1|1,0,1]=4 2439 B11R1.510 CC(C)(C)NCc1ccco1 34a_100000185738_100000210625 [0,1,0,0,0,1|1,0,1]=4 2440 B11R1.510 CC(C)(C)OCc1ccco1 34a_100000210059_100000210625 [0,1,0,0,0,1|1,0,1]=4 2441 B11R1.510 CC(C)(F)CSc1ccco1 62a_100009814098_100011997219 [0,1,0,0,0,1|1,0,1]=4 2442 B11R1.510 CC(C)(F)CSc1ccco1 62a_100011997219_100009814098 [0,1,0,0,0,1|1,0,1]=4 2443 B11R1.510 CC(C)(O)CSc1ccco1 62a_100000764493_100009814098 [0,1,0,0,0,1|0,0,2]=4 2444 B11R1.510 CC(C)(O)CSc1ccco1 62a_100009814098_100000764493 [0,1,0,0,0,1|0,0,2]=4 2445 B11R1.510 CS(=O)(=O)NCc1ccc[nH]1 40a_100000764082_100000738038 [0,1,0,0,0,1|2,0,0]=4 2446 B11R1.510 CS(=O)(=O)NCc1ccco1 40a_100000185738_100000738038 [0,1,0,0,0,1|1,0,0]=3 2447 B11R1.510 CS(=O)(=O)NCc1cccs1 40a_100000211653_100000738038 [0,1,0,0,0,1|1,1,0]=4 2448 B11R1.510 CS(=O)(=O)NCc1cnco1 40a_100020634212_100000738038 [0,1,0,0,0,1|2,0,0]=4 2449 B11R1.510 CS(=O)(=O)NCc1ncco1 40a_100016994969_100000738038 [0,1,0,0,0,1|2,0,0]=4 2450 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_100009814098_200000036245 [0,1,0,0,0,1|2,0,0]=4 2451 B11R1.510 C[N+](C)(C)CSc1ccco1 62a_200000036245_100009814098 [0,1,0,0,0,1|2,0,0]=4 2452 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100000037933_100009814098 [0,1,0,0,0,1|1,1,0]=4 2453 B11R1.510 C[Si](C)(C)CSc1ccco1 62a_100009814098_100000037933 [0,1,0,0,0,1|1,1,0]=4 2454 B11R1.510 NS(=O)(=O)CSc1ccco1 62a_100000741382_100009814098 [0,1,0,0,0,1|2,0,0]=4 2455 B11R1.510 NS(=O)(=O)CSc1ccco1 62a_100009814098_100000741382 [0,1,0,0,0,1|2,0,0]=4 2456 B11R1.510 O=S(=O)([O-])CSc1ccco1 62a_100009814098_100009817235 [0,1,0,0,0,1|2,0,0]=4 2457 B11R1.510 O=S(=O)([O-])CSc1ccco1 62a_100009817235_100009814098 [0,1,0,0,0,1|2,0,0]=4 2458 B11R1.31 CC(C(=O)CF)n1cccc1 1458a_100000243804_100015361967 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.31 CC(c1ccco1)N(C)CF 269982a_100000232712_100015361967 [0,2,0,0,0,0|2,0,0]=4 2460 B11R1.31 CCC(=O)C(C)n1cccc1 1458a_100000243804_100000210202 [0,2,0,0,0,0|2,0,0]=4 2461 B11R1.31 CCN(C)C(C)c1ccco1 2230a_100000232712_100000210202 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.31 CCN(C)C(C)c1ccco1 269982a_100000232712_100000204670 [0,2,0,0,0,0|2,0,0]=4 2463 B11R1.31 CNC(=O)C(C)n1cccc1 11a_106832991635_100000243804 [0,2,0,0,0,0|2,0,0]=4 2464 B11R1.31 CNC(=O)C(C)n1cccc1 1626a_100102657272_100000243804 [0,2,0,0,0,0|2,0,0]=4 2465 B11R1.31 CNC(=O)C(C)n1cccc1 240690a_100102657272_100000243804 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.31 CNC(=O)C(C)n1cccc1 527a_100102657272_100000243804 [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.173 CC(=O)C(C)(C)c1cccs1 1458a_100000756239_200000210301 [0,2,0,0,0,0|0,1,0]=3 2468 B11R1.173 CC(=O)C(C)(C)n1cccn1 1458a_100020592314_200000210301 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.173 CC(C)(C(=O)[13CH3])c1cccs1 1458a_100000756239_200025704644 [0,2,0,0,0,0|0,1,0]=3 2470 B11R1.173 CC(C)(C(=O)[13CH3])n1cccn1 1458a_100020592314_200025704644 [0,2,0,0,0,0|2,0,0]=4 2471 B11R1.298 CCC(C(=O)C)n1cccn1 1458a_100102952928_200000210301 [0,2,0,0,0,0|2,0,0]=4 2472 B11R1.298 CCC(C(=O)[13CH3])n1cccn1 1458a_100102952928_200025704644 [0,2,0,0,0,0|2,0,0]=4 2473 B11R1.298 CNC(C(=O)O)c1cccs1 269956a_100000684786_200000210301 [0,2,0,0,0,0|1,1,0]=4 2474 B11R1.298 [13CH3]NC(C(=O)O)c1cccs1 269956a_100000684786_200025704644 [0,2,0,0,0,0|1,1,0]=4 2475 B11R1.314 CC(=O)C(C)n1cc(cn1)Br 1458a_100000742513_200000210301 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.314 CC(=O)C(C)n1cc(cn1)C 1458a_100102887401_200000210301 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.314 CC(=O)C(C)n1cc(cn1)Cl 1458a_100000742782_200000210301 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.314 CC(C(=O)[13CH3])n1cc(cn1)Br 1458a_100000742513_200025704644 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.314 CC(C(=O)[13CH3])n1cc(cn1)Cl 1458a_100000742782_200025704644 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.314 Cc1cnn(c1)C(C)C(=O)[13CH3] 1458a_100102887401_200025704644 [0,2,0,0,0,0|2,0,0]=4 2481 B11R1.30 C#CCC(=O)Cc1c[nH]cn1 1458a_100011220946_100000707719 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.30 C#CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000184674 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.30 C#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000184674 [0,2,0,0,0,0|1,0,0]=3 2484 B11R1.30 C#CCC(=O)Cc1ccco1 1458a_100011217309_100000184674 [0,2,0,0,0,0|0,0,0]=2 2485 B11R1.30 C#CCC(=O)Cc1cccs1 1458a_100000210189_100000184674 [0,2,0,0,0,0|0,1,0]=3 2486 B11R1.30 C#CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000184674 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.30 C#CCC(=O)Cc1ccn[nH]1 1458a_100011220946_100000728653 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.30 C#CCC(=O)Cc1ccoc1 1458a_100000684892_100000184674 [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.30 C#CCC(=O)Cc1ccon1 1458a_100011220946_100000234950 [0,2,0,0,0,0|2,0,0]=4 2490 B11R1.30 C#CCC(=O)Cc1ccsc1 1458a_100000184062_100000184674 [0,2,0,0,0,0|2,0,0]=4 2491 B11R1.30 C#CCC(=O)Cc1ccsc1 1458a_100011220946_100011233845 [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.30 C#CCC(=O)Cc1cncs1 1458a_100011220946_100015185245 [0,2,0,0,0,0|1,1,0]=4 2493 B11R1.30 C#CCC(=O)Cc1cscn1 1458a_100011220946_100000205941 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.30 C#CCC(=O)Cc1cscn1 1458a_100011438297_100000184674 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.30 C#CCC(=O)Cc1ncco1 1458a_100011220946_103436540062 [0,2,0,0,0,0|1,0,0]=3 2496 B11R1.30 C#CCC(=O)Cc1nccs1 1458a_100011220946_100015184050 [0,2,0,0,0,0|1,1,0]=4 2497 B11R1.30 C#CCC(=O)Cn1cccc1 1458a_100011196272_100000184674 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.30 C#CCC(=O)Cn1cccn1 1458a_100000233772_100000184674 [0,2,0,0,0,0|2,0,0]=4 2499 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000185268_100000038162 [0,2,0,0,0,0|2,0,0]=4 2500 B11R1.30 C#CCN(C)Cc1ccco1 2230a_100000746299_200000210301 [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.30 C#CCN(C)Cc1ccco1 270004a_100000225692_100000186105 [0,2,0,0,0,0|2,0,0]=4 2502 B11R1.30 C#CCN(C)Cc1ccco1 34a_100000746299_200000210301 [0,2,0,0,0,0|2,0,0]=4 2503 B11R1.30 C#CCN([13CH3])Cc1ccco1 2230a_100000746299_200025704644 [0,2,0,0,0,0|2,0,0]=4 2504 B11R1.30 C#CCN([13CH3])Cc1ccco1 34a_100000746299_200025704644 [0,2,0,0,0,0|2,0,0]=4 2505 B11R1.30 C=CCC(=O)Cc1c[nH]cn1 1458a_100000210193_100000707719 [0,2,0,0,0,0|2,0,0]=4 2506 B11R1.30 C=CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210623 [0,2,0,0,0,0|2,0,0]=4 2507 B11R1.30 C=CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210623 [0,2,0,0,0,0|1,0,0]=3 2508 B11R1.30 C=CCC(=O)Cc1ccco1 1458a_100011217309_100000210623 [0,2,0,0,0,0|0,0,0]=2 2509 B11R1.30 C=CCC(=O)Cc1cccs1 1458a_100000210189_100000210623 [0,2,0,0,0,0|0,1,0]=3 2510 B11R1.30 C=CCC(=O)Cc1ccn[nH]1 1458a_100000210193_100000728653 [0,2,0,0,0,0|2,0,0]=4 2511 B11R1.30 C=CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210623 [0,2,0,0,0,0|2,0,0]=4 2512 B11R1.30 C=CCC(=O)Cc1ccoc1 1458a_100000684892_100000210623 [0,2,0,0,0,0|2,0,0]=4 2513 B11R1.30 C=CCC(=O)Cc1ccon1 1458a_100000210193_100000234950 [0,2,0,0,0,0|2,0,0]=4 2514 B11R1.30 C=CCC(=O)Cc1ccsc1 1458a_100000184062_100000210623 [0,2,0,0,0,0|2,0,0]=4 2515 B11R1.30 C=CCC(=O)Cc1ccsc1 1458a_100000210193_100011233845 [0,2,0,0,0,0|2,0,0]=4 2516 B11R1.30 C=CCC(=O)Cc1cncs1 1458a_100000210193_100015185245 [0,2,0,0,0,0|1,1,0]=4 2517 B11R1.30 C=CCC(=O)Cc1cscn1 1458a_100000210193_100000205941 [0,2,0,0,0,0|2,0,0]=4 2518 B11R1.30 C=CCC(=O)Cc1cscn1 1458a_100011438297_100000210623 [0,2,0,0,0,0|2,0,0]=4 2519 B11R1.30 C=CCC(=O)Cc1ncco1 1458a_100000210193_103436540062 [0,2,0,0,0,0|1,0,0]=3 2520 B11R1.30 C=CCC(=O)Cc1nccs1 1458a_100000210193_100015184050 [0,2,0,0,0,0|1,1,0]=4 2521 B11R1.30 C=CCC(=O)Cn1cccc1 1458a_100011196272_100000210623 [0,2,0,0,0,0|2,0,0]=4 2522 B11R1.30 C=CCC(=O)Cn1cccn1 1458a_100000233772_100000210623 [0,2,0,0,0,0|2,0,0]=4 2523 B11R1.30 C=CCN(C)Cc1ccco1 2230a_100000185268_100000210623 [0,2,0,0,0,0|2,0,0]=4 2524 B11R1.30 C=CCN(C)Cc1ccco1 269982a_100000185268_100000210623 [0,2,0,0,0,0|2,0,0]=4 2525 B11R1.30 C=CCN(C)Cc1ccco1 270004a_100000225617_100000186105 [0,2,0,0,0,0|2,0,0]=4 2526 B11R1.30 CC#CC(=O)Cc1c[nH]cn1 1458a_100000763181_100000707719 [0,2,0,0,0,0|2,0,0]=4 2527 B11R1.30 CC#CC(=O)Cc1ccn[nH]1 1458a_100000763181_100000728653 [0,2,0,0,0,0|2,0,0]=4 2528 B11R1.30 CC#CC(=O)Cc1ccon1 1458a_100000763181_100000234950 [0,2,0,0,0,0|2,0,0]=4 2529 B11R1.30 CC#CC(=O)Cc1ccsc1 1458a_100000763181_100011233845 [0,2,0,0,0,0|2,0,0]=4 2530 B11R1.30 CC#CC(=O)Cc1cncs1 1458a_100000763181_100015185245 [0,2,0,0,0,0|1,1,0]=4 2531 B11R1.30 CC#CC(=O)Cc1cscn1 1458a_100000763181_100000205941 [0,2,0,0,0,0|2,0,0]=4 2532 B11R1.30 CC#CC(=O)Cc1ncco1 1458a_100000763181_103436540062 [0,2,0,0,0,0|1,0,0]=3 2533 B11R1.30 CC#CC(=O)Cc1nccs1 1458a_100000763181_100015184050 [0,2,0,0,0,0|1,1,0]=4 2534 B11R1.30 CC(Cc1ccco1)OCF 34a_100011803939_100015361967 [0,2,0,0,0,0|0,0,2]=4 2535 B11R1.30 CC(Cc1ccco1)OCF 7a_100011803939_100015361967 [0,2,0,0,0,0|0,0,2]=4 2536 B11R1.30 CC=CC(=O)Cc1c[nH]cn1 1458a_100000210699_100000707719 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.30 CC=CC(=O)Cc1ccn[nH]1 1458a_100000210699_100000728653 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.30 CC=CC(=O)Cc1ccon1 1458a_100000210699_100000234950 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.30 CC=CC(=O)Cc1ccsc1 1458a_100000210699_100011233845 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.30 CC=CC(=O)Cc1cncs1 1458a_100000210699_100015185245 [0,2,0,0,0,0|1,1,0]=4 2541 B11R1.30 CC=CC(=O)Cc1cscn1 1458a_100000210699_100000205941 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.30 CC=CC(=O)Cc1ncco1 1458a_100000210699_103436540062 [0,2,0,0,0,0|1,0,0]=3 2543 B11R1.30 CC=CC(=O)Cc1nccs1 1458a_100000210699_100015184050 [0,2,0,0,0,0|1,1,0]=4 2544 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100000211992_100000707719 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.30 CCCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210303 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.30 CCCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210303 [0,2,0,0,0,0|1,0,0]=3 2547 B11R1.30 CCCC(=O)Cc1ccco1 1458a_100011217309_100000210303 [0,2,0,0,0,0|0,0,0]=2 2548 B11R1.30 CCCC(=O)Cc1cccs1 1458a_100000210189_100000210303 [0,2,0,0,0,0|0,1,0]=3 2549 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000211992_100000728653 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.30 CCCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210303 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.30 CCCC(=O)Cc1ccoc1 1458a_100000684892_100000210303 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000184062_100000210303 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.30 CCCC(=O)Cc1ccsc1 1458a_100000211992_100011233845 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.30 CCCC(=O)Cc1cncs1 1458a_100000211992_100015185245 [0,2,0,0,0,0|1,1,0]=4 2556 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100000211992_100000205941 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.30 CCCC(=O)Cc1cscn1 1458a_100011438297_100000210303 [0,2,0,0,0,0|2,0,0]=4 2558 B11R1.30 CCCC(=O)Cc1ncco1 1458a_100000211992_103436540062 [0,2,0,0,0,0|1,0,0]=3 2559 B11R1.30 CCCC(=O)Cc1nccs1 1458a_100000211992_100015184050 [0,2,0,0,0,0|1,1,0]=4 2560 B11R1.30 CCCC(=O)Cn1cccc1 1458a_100011196272_100000210303 [0,2,0,0,0,0|2,0,0]=4 2561 B11R1.30 CCCC(=O)Cn1cccn1 1458a_100000233772_100000210303 [0,2,0,0,0,0|2,0,0]=4 2562 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000185268_100000210303 [0,2,0,0,0,0|2,0,0]=4 2563 B11R1.30 CCCN(C)Cc1ccco1 2230a_100000201650_200000210301 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000185268_100000210303 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.30 CCCN(C)Cc1ccco1 269982a_100000201650_200000210301 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.30 CCCN(C)Cc1ccco1 270004a_100000747261_100000186105 [0,2,0,0,0,0|2,0,0]=4 2567 B11R1.30 CCCN([13CH3])Cc1ccco1 2230a_100000201650_200025704644 [0,2,0,0,0,0|2,0,0]=4 2568 B11R1.30 CCCN([13CH3])Cc1ccco1 269982a_100000201650_200025704644 [0,2,0,0,0,0|2,0,0]=4 2569 B11R1.30 CCNC(=O)Cc1c[nH]cn1 240690a_100015525214_100015291406 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.30 CCNC(=O)Cc1ccc[nH]1 11a_100015525214_100000238377 [0,2,0,0,0,0|1,0,0]=3 2571 B11R1.30 CCNC(=O)Cc1ccc[nH]1 240690a_100015525214_100000238377 [0,2,0,0,0,0|1,0,0]=3 2572 B11R1.30 CCNC(=O)Cc1ccc[nH]1 527a_100015525214_100000238377 [0,2,0,0,0,0|1,0,0]=3 2573 B11R1.30 CCNC(=O)Cc1ccco1 11a_100015525214_100011217309 [0,2,0,0,0,0|0,0,0]=2 2574 B11R1.30 CCNC(=O)Cc1ccco1 527a_100015525214_100011217309 [0,2,0,0,0,0|0,0,0]=2 2575 B11R1.30 CCNC(=O)Cc1cccs1 11a_100015525214_100000210189 [0,2,0,0,0,0|0,1,0]=3 2576 B11R1.30 CCNC(=O)Cc1cccs1 240690a_100015525214_100000210189 [0,2,0,0,0,0|0,1,0]=3 2577 B11R1.30 CCNC(=O)Cc1ccn[nH]1 11a_100015525214_100000752941 [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.30 CCNC(=O)Cc1ccn[nH]1 240690a_100015525214_100000752941 [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.30 CCNC(=O)Cc1ccn[nH]1 527a_100015525214_100000752941 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.30 CCNC(=O)Cc1ccoc1 11a_100015525214_100000684892 [0,2,0,0,0,0|2,0,0]=4 2581 B11R1.30 CCNC(=O)Cc1ccoc1 240690a_100015525214_100000684892 [0,2,0,0,0,0|2,0,0]=4 2582 B11R1.30 CCNC(=O)Cc1ccoc1 527a_100015525214_100000684892 [0,2,0,0,0,0|2,0,0]=4 2583 B11R1.30 CCNC(=O)Cc1ccsc1 11a_100015525214_100000184062 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.30 CCNC(=O)Cc1ccsc1 240690a_100015525214_100000184062 [0,2,0,0,0,0|2,0,0]=4 2585 B11R1.30 CCNC(=O)Cc1ccsc1 527a_100015525214_100000184062 [0,2,0,0,0,0|2,0,0]=4 2586 B11R1.30 CCNC(=O)Cc1cscn1 11a_100015525214_100011438297 [0,2,0,0,0,0|2,0,0]=4 2587 B11R1.30 CCNC(=O)Cc1cscn1 240690a_100015525214_100011438297 [0,2,0,0,0,0|2,0,0]=4 2588 B11R1.30 CCNC(=O)Cc1cscn1 527a_100015525214_100011438297 [0,2,0,0,0,0|2,0,0]=4 2589 B11R1.30 CCNC(=O)Cn1cccc1 11a_100015525214_100011196272 [0,2,0,0,0,0|2,0,0]=4 2590 B11R1.30 CCNC(=O)Cn1cccc1 527a_100015525214_100011196272 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.30 CCNC(=O)Cn1cccn1 11a_100015525214_100000233772 [0,2,0,0,0,0|2,0,0]=4 2592 B11R1.30 CCNC(=O)Cn1cccn1 240690a_100015525214_100000233772 [0,2,0,0,0,0|2,0,0]=4 2593 B11R1.30 CCNC(=O)Cn1cccn1 527a_100015525214_100000233772 [0,2,0,0,0,0|2,0,0]=4 2594 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,2,0,0,0,0|1,0,1]=4 2595 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,2,0,0,0,0|0,0,2]=4 2596 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,2,0,0,0,0|0,0,2]=4 2597 B11R1.30 CN(CC#N)Cc1ccco1 2230a_100000185268_100011215382 [0,2,0,0,0,0|2,0,0]=4 2598 B11R1.30 CN(CC#N)Cc1ccco1 269982a_100000185268_100011214920 [0,2,0,0,0,0|2,0,0]=4 2599 B11R1.30 CN(CC=O)Cc1ccco1 2230a_100000185268_200015260668 [0,2,0,0,0,0|1,0,0]=3 2600 B11R1.30 CN(CC=O)Cc1ccco1 269982a_100000185268_200015260668 [0,2,0,0,0,0|1,0,0]=3 2601 B11R1.30 CN(CC=O)Cc1cccs1 2230a_100000184426_200015260668 [0,2,0,0,0,0|1,1,0]=4 2602 B11R1.30 CN(CC=O)Cc1cccs1 269982a_100000184426_200015260668 [0,2,0,0,0,0|1,1,0]=4 2603 B11R1.30 CN(CCF)Cc1ccco1 2230a_100000185268_100011217306 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.30 CN(CCF)Cc1ccco1 269982a_100000185268_100011217306 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000185268_100000211926 [0,2,0,0,0,0|1,0,1]=4 2606 B11R1.30 CN(CCO)Cc1ccco1 2230a_100000200452_200000210301 [0,2,0,0,0,0|1,0,1]=4 2607 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000185268_100000211926 [0,2,0,0,0,0|1,0,1]=4 2608 B11R1.30 CN(CCO)Cc1ccco1 269982a_100000200452_200000210301 [0,2,0,0,0,0|1,0,1]=4 2609 B11R1.30 CN(CCO)Cc1ccco1 270004a_100000210263_100000186105 [0,2,0,0,0,0|1,0,1]=4 2610 B11R1.30 CNNC(=O)Cc1c[nH]cn1 22a_100016993582_100015291406 [0,2,0,0,0,0|2,0,0]=4 2611 B11R1.30 CNNC(=O)Cc1ccc[nH]1 22a_100016993582_100000238377 [0,2,0,0,0,0|1,0,0]=3 2612 B11R1.30 CNNC(=O)Cc1ccco1 22a_100016993582_100011217309 [0,2,0,0,0,0|0,0,0]=2 2613 B11R1.30 CNNC(=O)Cc1cccs1 22a_100016993582_100000210189 [0,2,0,0,0,0|0,1,0]=3 2614 B11R1.30 CNNC(=O)Cc1ccn[nH]1 22a_100016993582_100000752941 [0,2,0,0,0,0|2,0,0]=4 2615 B11R1.30 CNNC(=O)Cc1ccoc1 22a_100016993582_100000684892 [0,2,0,0,0,0|2,0,0]=4 2616 B11R1.30 CNNC(=O)Cc1ccsc1 22a_100016993582_100000184062 [0,2,0,0,0,0|2,0,0]=4 2617 B11R1.30 CNNC(=O)Cc1cscn1 22a_100016993582_100011438297 [0,2,0,0,0,0|2,0,0]=4 2618 B11R1.30 CNNC(=O)Cn1cccc1 22a_100016993582_100011196272 [0,2,0,0,0,0|2,0,0]=4 2619 B11R1.30 CNNC(=O)Cn1cccn1 22a_100016993582_100000233772 [0,2,0,0,0,0|2,0,0]=4 2620 B11R1.30 COCC(=O)Cc1c[nH]cn1 1458a_100000210968_100000707719 [0,2,0,0,0,0|2,0,0]=4 2621 B11R1.30 COCC(=O)Cc1ccn[nH]1 1458a_100000210968_100000728653 [0,2,0,0,0,0|2,0,0]=4 2622 B11R1.30 COCC(=O)Cc1ccon1 1458a_100000210968_100000234950 [0,2,0,0,0,0|2,0,0]=4 2623 B11R1.30 COCC(=O)Cc1ccsc1 1458a_100000210968_100011233845 [0,2,0,0,0,0|2,0,0]=4 2624 B11R1.30 COCC(=O)Cc1cncs1 1458a_100000210968_100015185245 [0,2,0,0,0,0|1,1,0]=4 2625 B11R1.30 COCC(=O)Cc1cscn1 1458a_100000210968_100000205941 [0,2,0,0,0,0|2,0,0]=4 2626 B11R1.30 COCC(=O)Cc1ncco1 1458a_100000210968_103436540062 [0,2,0,0,0,0|1,0,0]=3 2627 B11R1.30 COCC(=O)Cc1nccs1 1458a_100000210968_100015184050 [0,2,0,0,0,0|1,1,0]=4 2628 B11R1.30 COCN(C)Cc1ccco1 2230a_100000185268_100000766300 [0,2,0,0,0,0|1,0,1]=4 2629 B11R1.30 COCN(C)Cc1ccco1 269982a_100000185268_100000766300 [0,2,0,0,0,0|1,0,1]=4 2630 B11R1.30 CSCC(=O)Cc1c[nH]cn1 1458a_100000184570_100000707719 [0,2,0,0,0,0|2,0,0]=4 2631 B11R1.30 CSCC(=O)Cc1ccn[nH]1 1458a_100000184570_100000728653 [0,2,0,0,0,0|2,0,0]=4 2632 B11R1.30 CSCC(=O)Cc1ccon1 1458a_100000184570_100000234950 [0,2,0,0,0,0|2,0,0]=4 2633 B11R1.30 CSCC(=O)Cc1ccsc1 1458a_100000184570_100011233845 [0,2,0,0,0,0|2,0,0]=4 2634 B11R1.30 CSCC(=O)Cc1cncs1 1458a_100000184570_100015185245 [0,2,0,0,0,0|1,1,0]=4 2635 B11R1.30 CSCC(=O)Cc1cscn1 1458a_100000184570_100000205941 [0,2,0,0,0,0|2,0,0]=4 2636 B11R1.30 CSCC(=O)Cc1ncco1 1458a_100000184570_103436540062 [0,2,0,0,0,0|1,0,0]=3 2637 B11R1.30 CSCC(=O)Cc1nccs1 1458a_100000184570_100015184050 [0,2,0,0,0,0|1,1,0]=4 2638 B11R1.30 CSCN(C)Cc1ccco1 2230a_100000185268_100011218213 [0,2,0,0,0,0|1,1,0]=4 2639 B11R1.30 CSCN(C)Cc1ccco1 269982a_100000185268_100011218213 [0,2,0,0,0,0|1,1,0]=4 2640 B11R1.30 N#CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100011214920 [0,2,0,0,0,0|2,0,0]=4 2641 B11R1.30 N#CCC(=O)Cc1c[nH]cn1 1458a_100051588842_100000707719 [0,2,0,0,0,0|2,0,0]=4 2642 B11R1.30 N#CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100011214920 [0,2,0,0,0,0|1,0,0]=3 2643 B11R1.30 N#CCC(=O)Cc1ccco1 1458a_100011217309_100011214920 [0,2,0,0,0,0|0,0,0]=2 2644 B11R1.30 N#CCC(=O)Cc1cccs1 1458a_100000210189_100011214920 [0,2,0,0,0,0|0,1,0]=3 2645 B11R1.30 N#CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100011214920 [0,2,0,0,0,0|2,0,0]=4 2646 B11R1.30 N#CCC(=O)Cc1ccn[nH]1 1458a_100051588842_100000728653 [0,2,0,0,0,0|2,0,0]=4 2647 B11R1.30 N#CCC(=O)Cc1ccoc1 1458a_100000684892_100011214920 [0,2,0,0,0,0|2,0,0]=4 2648 B11R1.30 N#CCC(=O)Cc1ccon1 1458a_100051588842_100000234950 [0,2,0,0,0,0|2,0,0]=4 2649 B11R1.30 N#CCC(=O)Cc1ccsc1 1458a_100000184062_100011214920 [0,2,0,0,0,0|2,0,0]=4 2650 B11R1.30 N#CCC(=O)Cc1ccsc1 1458a_100051588842_100011233845 [0,2,0,0,0,0|2,0,0]=4 2651 B11R1.30 N#CCC(=O)Cc1cncs1 1458a_100051588842_100015185245 [0,2,0,0,0,0|1,1,0]=4 2652 B11R1.30 N#CCC(=O)Cc1cscn1 1458a_100011438297_100011214920 [0,2,0,0,0,0|2,0,0]=4 2653 B11R1.30 N#CCC(=O)Cc1cscn1 1458a_100051588842_100000205941 [0,2,0,0,0,0|2,0,0]=4 2654 B11R1.30 N#CCC(=O)Cc1ncco1 1458a_100051588842_103436540062 [0,2,0,0,0,0|1,0,0]=3 2655 B11R1.30 N#CCC(=O)Cc1nccs1 1458a_100051588842_100015184050 [0,2,0,0,0,0|1,1,0]=4 2656 B11R1.30 N#CCC(=O)Cn1cccc1 1458a_100011196272_100011214920 [0,2,0,0,0,0|2,0,0]=4 2657 B11R1.30 N#CCC(=O)Cn1cccn1 1458a_100000233772_100011214920 [0,2,0,0,0,0|2,0,0]=4 2658 B11R1.30 O=C(C=CBr)Cc1ncco1 1458a_100016273825_103436540062 [0,2,0,0,0,0|1,0,1]=4 2659 B11R1.30 O=C(C=CCl)Cc1ncco1 1458a_200016279998_103436540062 [0,2,0,0,0,0|1,0,1]=4 2660 B11R1.30 O=C(C=CI)Cc1ncco1 1458a_100016256311_103436540062 [0,2,0,0,0,0|1,0,1]=4 2661 B11R1.30 O=C(CCF)Cc1c[nH]cn1 1458a_100015291406_100011217306 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.30 O=C(CCF)Cc1ccc[nH]1 1458a_100000238377_100011217306 [0,2,0,0,0,0|1,0,0]=3 2663 B11R1.30 O=C(CCF)Cc1ccco1 1458a_100011217309_100011217306 [0,2,0,0,0,0|0,0,0]=2 2664 B11R1.30 O=C(CCF)Cc1cccs1 1458a_100000210189_100011217306 [0,2,0,0,0,0|0,1,0]=3 2665 B11R1.30 O=C(CCF)Cc1ccn[nH]1 1458a_100000752941_100011217306 [0,2,0,0,0,0|2,0,0]=4 2666 B11R1.30 O=C(CCF)Cc1ccoc1 1458a_100000684892_100011217306 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.30 O=C(CCF)Cc1ccsc1 1458a_100000184062_100011217306 [0,2,0,0,0,0|2,0,0]=4 2668 B11R1.30 O=C(CCF)Cc1cscn1 1458a_100011438297_100011217306 [0,2,0,0,0,0|2,0,0]=4 2669 B11R1.30 O=C(CCF)Cn1cccc1 1458a_100011196272_100011217306 [0,2,0,0,0,0|2,0,0]=4 2670 B11R1.30 O=C(CCF)Cn1cccn1 1458a_100000233772_100011217306 [0,2,0,0,0,0|2,0,0]=4 2671 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100011216618_100000707719 [0,2,0,0,0,0|2,0,0]=4 2672 B11R1.30 O=C(CCO)Cc1c[nH]cn1 1458a_100015291406_100000211926 [0,2,0,0,0,0|2,0,0]=4 2673 B11R1.30 O=C(CCO)Cc1ccc[nH]1 1458a_100000238377_100000211926 [0,2,0,0,0,0|1,0,0]=3 2674 B11R1.30 O=C(CCO)Cc1ccco1 1458a_100011217309_100000211926 [0,2,0,0,0,0|0,0,0]=2 2675 B11R1.30 O=C(CCO)Cc1cccs1 1458a_100000210189_100000211926 [0,2,0,0,0,0|0,1,0]=3 2676 B11R1.30 O=C(CCO)Cc1ccn[nH]1 1458a_100000752941_100000211926 [0,2,0,0,0,0|2,0,0]=4 2677 B11R1.30 O=C(CCO)Cc1ccn[nH]1 1458a_100011216618_100000728653 [0,2,0,0,0,0|2,0,0]=4 2678 B11R1.30 O=C(CCO)Cc1ccoc1 1458a_100000684892_100000211926 [0,2,0,0,0,0|2,0,0]=4 2679 B11R1.30 O=C(CCO)Cc1ccon1 1458a_100011216618_100000234950 [0,2,0,0,0,0|2,0,0]=4 2680 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100000184062_100000211926 [0,2,0,0,0,0|2,0,0]=4 2681 B11R1.30 O=C(CCO)Cc1ccsc1 1458a_100011216618_100011233845 [0,2,0,0,0,0|2,0,0]=4 2682 B11R1.30 O=C(CCO)Cc1cncs1 1458a_100011216618_100015185245 [0,2,0,0,0,0|1,1,0]=4 2683 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011216618_100000205941 [0,2,0,0,0,0|2,0,0]=4 2684 B11R1.30 O=C(CCO)Cc1cscn1 1458a_100011438297_100000211926 [0,2,0,0,0,0|2,0,0]=4 2685 B11R1.30 O=C(CCO)Cc1ncco1 1458a_100011216618_103436540062 [0,2,0,0,0,0|1,0,0]=3 2686 B11R1.30 O=C(CCO)Cc1nccs1 1458a_100011216618_100015184050 [0,2,0,0,0,0|1,1,0]=4 2687 B11R1.30 O=C(CCO)Cn1cccc1 1458a_100011196272_100000211926 [0,2,0,0,0,0|2,0,0]=4 2688 B11R1.30 O=C(CCO)Cn1cccn1 1458a_100000233772_100000211926 [0,2,0,0,0,0|2,0,0]=4 2689 B11R1.30 [13CH3]N(CCO)Cc1ccco1 2230a_100000200452_200025704644 [0,2,0,0,0,0|1,0,1]=4 2690 B11R1.30 [13CH3]N(CCO)Cc1ccco1 269982a_100000200452_200025704644 [0,2,0,0,0,0|1,0,1]=4 2691 B11R1.39 C#CC(=O)Cc1cc(cs1)Br 1458a_100000211873_100000746031 [0,2,0,0,0,0|0,1,1]=4 2692 B11R1.39 C#CC(=O)Cc1cc(no1)Br 1458a_100000211873_100000709089 [0,2,0,0,0,0|1,0,1]=4 2693 B11R1.39 C#CC(=O)Cc1cc(no1)C 1458a_100000211873_100000707947 [0,2,0,0,0,0|1,0,1]=4 2694 B11R1.39 C#CC(=O)Cc1ccc(s1)Br 1458a_100000211873_100000708592 [0,2,0,0,0,0|0,1,1]=4 2695 B11R1.39 C#CC(=O)Cc1ccc(s1)Cl 1458a_100000211873_100000185097 [0,2,0,0,0,0|0,1,1]=4 2696 B11R1.39 C=CC(=O)Cc1cc(cs1)Br 1458a_100000185746_100000746031 [0,2,0,0,0,0|0,1,1]=4 2697 B11R1.39 C=CC(=O)Cc1cc(no1)Br 1458a_100000185746_100000709089 [0,2,0,0,0,0|1,0,1]=4 2698 B11R1.39 C=CC(=O)Cc1cc(no1)C 1458a_100000185746_100000707947 [0,2,0,0,0,0|1,0,1]=4 2699 B11R1.39 C=CC(=O)Cc1ccc(s1)Br 1458a_100000185746_100000708592 [0,2,0,0,0,0|0,1,1]=4 2700 B11R1.39 C=CC(=O)Cc1ccc(s1)Cl 1458a_100000185746_100000185097 [0,2,0,0,0,0|0,1,1]=4 2701 B11R1.39 CC(=Cc1cc(co1)Br)C#N 6a_100000747035_200000212204 [0,2,0,0,0,0|1,0,1]=4 2702 B11R1.39 CC(=Cc1ccc(o1)I)C#N 6a_100000186757_200000212204 [0,2,0,0,0,0|1,0,1]=4 2703 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100000210414_100000746031 [0,2,0,0,0,0|0,1,0]=3 2704 B11R1.39 CCC(=O)Cc1cc(cs1)Br 1458a_100011542370_100000210202 [0,2,0,0,0,0|0,1,0]=3 2705 B11R1.39 CCC(=O)Cc1cc(no1)Br 1458a_100000210414_100000709089 [0,2,0,0,0,0|1,0,0]=3 2706 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210202 [0,2,0,0,0,0|1,0,0]=3 2707 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000210414_100000707947 [0,2,0,0,0,0|1,0,0]=3 2708 B11R1.39 CCC(=O)Cc1cc(on1)C 1458a_100000210414_100000199038 [0,2,0,0,0,0|2,0,0]=4 2709 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,2,0,0,0,0|0,1,0]=3 2710 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,2,0,0,0,0|0,1,0]=3 2711 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,2,0,0,0,0|0,1,0]=3 2712 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,2,0,0,0,0|0,1,0]=3 2713 B11R1.39 CCC(=O)Cc1ccn(n1)C 1458a_100000210414_100000726502 [0,2,0,0,0,0|2,0,0]=4 2714 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100000210414_100000717665 [0,2,0,0,0,0|2,0,0]=4 2715 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210202 [0,2,0,0,0,0|2,0,0]=4 2716 B11R1.39 CCC(=O)Cc1cnc(s1)Br 1458a_100000210414_100000717027 [0,2,0,0,0,0|1,1,0]=4 2717 B11R1.39 CCC(=O)Cc1cnc(s1)C 1458a_100000210414_100020635045 [0,2,0,0,0,0|1,1,0]=4 2718 B11R1.39 CCC(=O)Cc1cnc(s1)Cl 1458a_100000210414_100000058068 [0,2,0,0,0,0|1,1,0]=4 2719 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000184407_100000210202 [0,2,0,0,0,0|2,0,0]=4 2720 B11R1.39 CCC(=O)Cc1csc(n1)C 1458a_100000210414_100015186478 [0,2,0,0,0,0|2,0,0]=4 2721 B11R1.39 CCC(=O)Cc1csc(n1)Cl 1458a_100000210414_100000024076 [0,2,0,0,0,0|2,0,0]=4 2722 B11R1.39 CCC(=O)Cc1nc(no1)C 1458a_100000210414_100000735555 [0,2,0,0,0,0|2,0,0]=4 2723 B11R1.39 CCC(=O)Cc1nc(no1)C 1458a_100011441805_100000210202 [0,2,0,0,0,0|2,0,0]=4 2724 B11R1.39 CCC(=O)Cc1nnc(o1)C 1458a_100000210414_100000181450 [0,2,0,0,0,0|2,0,0]=4 2725 B11R1.39 CCC(=O)Cn1cc(cn1)Br 1458a_100000238729_100000210202 [0,2,0,0,0,0|2,0,0]=4 2726 B11R1.39 CCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210202 [0,2,0,0,0,0|2,0,0]=4 2727 B11R1.39 CCC(=O)Cn1cc(cn1)Cl 1458a_100000759256_100000210202 [0,2,0,0,0,0|2,0,0]=4 2728 B11R1.39 CCC(=O)Cn1cc(cn1)I 1458a_100012072407_100000210202 [0,2,0,0,0,0|2,0,0]=4 2729 B11R1.39 CCC(=O)Cn1ccc(n1)C 1458a_100000238720_100000210202 [0,2,0,0,0,0|2,0,0]=4 2730 B11R1.39 CCN(C)Cc1ccc(o1)Br 2230a_100000207588_100000210202 [0,2,0,0,0,0|2,0,0]=4 2731 B11R1.39 CCN(C)Cc1ccc(o1)Br 269982a_100000207588_100000204670 [0,2,0,0,0,0|2,0,0]=4 2732 B11R1.39 CCN(C)Cc1ccc(o1)C 2230a_100000184526_100000210202 [0,2,0,0,0,0|2,0,0]=4 2733 B11R1.39 CCN(C)Cc1ccc(o1)C 2230a_200015183256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2734 B11R1.39 CCN(C)Cc1ccc(o1)C 269982a_100000184526_100000204670 [0,2,0,0,0,0|2,0,0]=4 2735 B11R1.39 CCN(C)Cc1ccc(o1)C 269982a_200015183256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2736 B11R1.39 CCN(C)Cc1ccc(o1)C 34a_100000184526_100000210202 [0,2,0,0,0,0|2,0,0]=4 2737 B11R1.39 CCN([13CH3])Cc1ccc(o1)C 2230a_200015183256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2738 B11R1.39 CCN([13CH3])Cc1ccc(o1)C 269982a_200015183256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2739 B11R1.39 CN(CF)Cc1ccc(o1)Br 269982a_100000207588_100015361967 [0,2,0,0,0,0|2,0,0]=4 2740 B11R1.39 CNC(=O)Cc1cc(cs1)Br 11a_106832991635_100011542370 [0,2,0,0,0,0|0,1,0]=3 2741 B11R1.39 CNC(=O)Cc1cc(cs1)Br 1626a_100102657272_100011542370 [0,2,0,0,0,0|0,1,0]=3 2742 B11R1.39 CNC(=O)Cc1cc(cs1)Br 240690a_100102657272_100011542370 [0,2,0,0,0,0|0,1,0]=3 2743 B11R1.39 CNC(=O)Cc1cc(no1)C 11a_106832991635_100000037866 [0,2,0,0,0,0|1,0,0]=3 2744 B11R1.39 CNC(=O)Cc1cc(no1)C 1626a_100102657272_100000037866 [0,2,0,0,0,0|1,0,0]=3 2745 B11R1.39 CNC(=O)Cc1cc(no1)C 240690a_100102657272_100000037866 [0,2,0,0,0,0|1,0,0]=3 2746 B11R1.39 CNC(=O)Cc1ccc(s1)Br 11a_106832991635_100000238643 [0,2,0,0,0,0|0,1,0]=3 2747 B11R1.39 CNC(=O)Cc1ccc(s1)Br 1626a_100102657272_100000238643 [0,2,0,0,0,0|0,1,0]=3 2748 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 11a_106832991635_100000238644 [0,2,0,0,0,0|0,1,0]=3 2749 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 1626a_100102657272_100000238644 [0,2,0,0,0,0|0,1,0]=3 2750 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 240690a_100102657272_100000238644 [0,2,0,0,0,0|0,1,0]=3 2751 B11R1.39 CNC(=O)Cc1cn(cn1)C 11a_106832991635_100011512828 [0,2,0,0,0,0|2,0,0]=4 2752 B11R1.39 CNC(=O)Cc1cn(cn1)C 1626a_100102657272_100011512828 [0,2,0,0,0,0|2,0,0]=4 2753 B11R1.39 CNC(=O)Cc1cn(cn1)C 240690a_100102657272_100011512828 [0,2,0,0,0,0|2,0,0]=4 2754 B11R1.39 CNC(=O)Cc1cn(cn1)C 527a_100102657272_100011512828 [0,2,0,0,0,0|2,0,0]=4 2755 B11R1.39 CNC(=O)Cc1csc(n1)C 11a_106832991635_100000184407 [0,2,0,0,0,0|2,0,0]=4 2756 B11R1.39 CNC(=O)Cc1csc(n1)C 1626a_100102657272_100000184407 [0,2,0,0,0,0|2,0,0]=4 2757 B11R1.39 CNC(=O)Cc1csc(n1)C 240690a_100102657272_100000184407 [0,2,0,0,0,0|2,0,0]=4 2758 B11R1.39 CNC(=O)Cc1csc(n1)C 527a_100102657272_100000184407 [0,2,0,0,0,0|2,0,0]=4 2759 B11R1.39 CNC(=O)Cc1nc(cs1)C 1626a_100102657272_100000734950 [0,2,0,0,0,0|1,1,0]=4 2760 B11R1.39 CNC(=O)Cc1nc(cs1)C 240690a_100102657272_100000734950 [0,2,0,0,0,0|1,1,0]=4 2761 B11R1.39 CNC(=O)Cc1nc(no1)C 11a_106832991635_100011441805 [0,2,0,0,0,0|2,0,0]=4 2762 B11R1.39 CNC(=O)Cc1nc(no1)C 1626a_100102657272_100011441805 [0,2,0,0,0,0|2,0,0]=4 2763 B11R1.39 CNC(=O)Cc1nc(no1)C 240690a_100102657272_100011441805 [0,2,0,0,0,0|2,0,0]=4 2764 B11R1.39 CNC(=O)Cn1cc(cn1)Br 11a_106832991635_100000238729 [0,2,0,0,0,0|2,0,0]=4 2765 B11R1.39 CNC(=O)Cn1cc(cn1)Br 1626a_100102657272_100000238729 [0,2,0,0,0,0|2,0,0]=4 2766 B11R1.39 CNC(=O)Cn1cc(cn1)Br 240690a_100102657272_100000238729 [0,2,0,0,0,0|2,0,0]=4 2767 B11R1.39 CNC(=O)Cn1cc(cn1)Br 527a_100102657272_100000238729 [0,2,0,0,0,0|2,0,0]=4 2768 B11R1.39 CNC(=O)Cn1cc(cn1)C 11a_106832991635_100000743463 [0,2,0,0,0,0|2,0,0]=4 2769 B11R1.39 CNC(=O)Cn1cc(cn1)C 1626a_100102657272_100000743463 [0,2,0,0,0,0|2,0,0]=4 2770 B11R1.39 CNC(=O)Cn1cc(cn1)C 240690a_100102657272_100000743463 [0,2,0,0,0,0|2,0,0]=4 2771 B11R1.39 CNC(=O)Cn1cc(cn1)C 527a_100102657272_100000743463 [0,2,0,0,0,0|2,0,0]=4 2772 B11R1.39 CNC(=O)Cn1cc(cn1)Cl 11a_106832991635_100000759256 [0,2,0,0,0,0|2,0,0]=4 2773 B11R1.39 CNC(=O)Cn1cc(cn1)Cl 1626a_100102657272_100000759256 [0,2,0,0,0,0|2,0,0]=4 2774 B11R1.39 CNC(=O)Cn1cc(cn1)Cl 240690a_100102657272_100000759256 [0,2,0,0,0,0|2,0,0]=4 2775 B11R1.39 CNC(=O)Cn1cc(cn1)Cl 527a_100102657272_100000759256 [0,2,0,0,0,0|2,0,0]=4 2776 B11R1.39 CNC(=O)Cn1cc(cn1)I 11a_106832991635_100012072407 [0,2,0,0,0,0|2,0,0]=4 2777 B11R1.39 CNC(=O)Cn1cc(cn1)I 1626a_100102657272_100012072407 [0,2,0,0,0,0|2,0,0]=4 2778 B11R1.39 CNC(=O)Cn1cc(cn1)I 240690a_100102657272_100012072407 [0,2,0,0,0,0|2,0,0]=4 2779 B11R1.39 CNC(=O)Cn1cc(cn1)I 527a_100102657272_100012072407 [0,2,0,0,0,0|2,0,0]=4 2780 B11R1.39 CNC(=O)Cn1cc(cn1)O 271570a_203496583355_100011372353 [0,2,0,0,0,0|2,0,0]=4 2781 B11R1.39 CNC(=O)Cn1ccc(n1)C 11a_106832991635_100000238720 [0,2,0,0,0,0|2,0,0]=4 2782 B11R1.39 CNC(=O)Cn1ccc(n1)C 1626a_100102657272_100000238720 [0,2,0,0,0,0|2,0,0]=4 2783 B11R1.39 CNC(=O)Cn1ccc(n1)C 240690a_100102657272_100000238720 [0,2,0,0,0,0|2,0,0]=4 2784 B11R1.39 CNC(=O)Cn1ccc(n1)C 527a_100102657272_100000238720 [0,2,0,0,0,0|2,0,0]=4 2785 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,2,0,0,0,0|0,1,0]=3 2786 B11R1.39 COC(=O)Cc1csc(n1)O 271570a_203496583355_100010153560 [0,2,0,0,0,0|2,0,0]=4 2787 B11R1.39 COC(=O)Cn1cc(cn1)O 271570a_203496583355_100011398172 [0,2,0,0,0,0|2,0,0]=4 2788 B11R1.39 Cc1cc(no1)CC(=O)CO 1458a_100000210174_100000199038 [0,2,0,0,0,0|2,0,0]=4 2789 B11R1.39 Cc1cc(on1)CC(=O)CF 1458a_100000037866_100015361967 [0,2,0,0,0,0|1,0,0]=3 2790 B11R1.39 Cc1cc(on1)CC(=O)CO 1458a_100000210174_100000707947 [0,2,0,0,0,0|1,0,0]=3 2791 B11R1.39 Cc1ccc(o1)CN(C)CF 269982a_100000184526_100015361967 [0,2,0,0,0,0|2,0,0]=4 2792 B11R1.39 Cc1ccc(o1)CN(C)CF 34a_100000184526_100015361967 [0,2,0,0,0,0|2,0,0]=4 2793 B11R1.39 Cc1ccn(n1)CC(=O)CF 1458a_100000238720_100015361967 [0,2,0,0,0,0|2,0,0]=4 2794 B11R1.39 Cc1cnn(c1)CC(=O)CF 1458a_100000743463_100015361967 [0,2,0,0,0,0|2,0,0]=4 2795 B11R1.39 Cc1nc(cs1)CC(=O)CF 1458a_100000184407_100015361967 [0,2,0,0,0,0|2,0,0]=4 2796 B11R1.39 Cc1nc(cs1)CC(=O)CO 1458a_100000210174_100015186478 [0,2,0,0,0,0|2,0,0]=4 2797 B11R1.39 Cc1ncc(s1)CC(=O)CO 1458a_100000210174_100020635045 [0,2,0,0,0,0|1,1,0]=4 2798 B11R1.39 Cc1nnc(o1)CC(=O)CO 1458a_100000210174_100000181450 [0,2,0,0,0,0|2,0,0]=4 2799 B11R1.39 Cc1noc(n1)CC(=O)CF 1458a_100011441805_100015361967 [0,2,0,0,0,0|2,0,0]=4 2800 B11R1.39 Cc1noc(n1)CC(=O)CO 1458a_100000210174_100000735555 [0,2,0,0,0,0|2,0,0]=4 2801 B11R1.39 Cn1ccc(n1)CC(=O)CO 1458a_100000210174_100000726502 [0,2,0,0,0,0|2,0,0]=4 2802 B11R1.39 Cn1cnc(c1)CC(=O)CF 1458a_100011512828_100015361967 [0,2,0,0,0,0|2,0,0]=4 2803 B11R1.39 Cn1cnc(c1)CC(=O)CO 1458a_100000210174_100000717665 [0,2,0,0,0,0|2,0,0]=4 2804 B11R1.39 O=C(CF)Cc1cc(cs1)Br 1458a_100011542370_100015361967 [0,2,0,0,0,0|0,1,0]=3 2805 B11R1.39 O=C(CF)Cc1ccc(s1)Br 1458a_100000238643_100015361967 [0,2,0,0,0,0|0,1,0]=3 2806 B11R1.39 O=C(CF)Cc1ccc(s1)Cl 1458a_100000238644_100015361967 [0,2,0,0,0,0|0,1,0]=3 2807 B11R1.39 O=C(CF)Cn1cc(cn1)Br 1458a_100000238729_100015361967 [0,2,0,0,0,0|2,0,0]=4 2808 B11R1.39 O=C(CF)Cn1cc(cn1)Cl 1458a_100000759256_100015361967 [0,2,0,0,0,0|2,0,0]=4 2809 B11R1.39 O=C(CF)Cn1cc(cn1)I 1458a_100012072407_100015361967 [0,2,0,0,0,0|2,0,0]=4 2810 B11R1.39 O=C(CO)Cc1cc(cs1)Br 1458a_100000210174_100000746031 [0,2,0,0,0,0|0,1,0]=3 2811 B11R1.39 O=C(CO)Cc1cc(no1)Br 1458a_100000210174_100000709089 [0,2,0,0,0,0|1,0,0]=3 2812 B11R1.39 O=C(CO)Cc1ccc(s1)Br 1458a_100000210174_100000708592 [0,2,0,0,0,0|0,1,0]=3 2813 B11R1.39 O=C(CO)Cc1ccc(s1)Cl 1458a_100000210174_100000185097 [0,2,0,0,0,0|0,1,0]=3 2814 B11R1.39 O=C(CO)Cc1cnc(s1)Br 1458a_100000210174_100000717027 [0,2,0,0,0,0|1,1,0]=4 2815 B11R1.39 O=C(CO)Cc1cnc(s1)Cl 1458a_100000210174_100000058068 [0,2,0,0,0,0|1,1,0]=4 2816 B11R1.39 O=C(CO)Cc1csc(n1)Cl 1458a_100000210174_100000024076 [0,2,0,0,0,0|2,0,0]=4 2817 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,2,0,0,0,0|1,0,1]=4 2818 B11R1.84 CCN(CC)Cc1ccco1 2230a_100000739255_100000210202 [0,2,0,0,0,0|2,0,0]=4 2819 B11R1.84 CCN(CC)Cc1ccco1 269982a_100000739255_100000204670 [0,2,0,0,0,0|2,0,0]=4 2820 B11R1.84 CCN(CC)Cc1ccco1 270004a_100000724800_100000186105 [0,2,0,0,0,0|2,0,0]=4 2821 B11R1.84 CCN(CF)Cc1ccco1 269982a_100000739255_100015361967 [0,2,0,0,0,0|2,0,0]=4 2822 B11R1.228 CCC(=O)Cc1ccnn1C 1458a_100000210414_100000691648 [0,2,0,0,0,0|2,0,0]=4 2823 B11R1.228 CCC(=O)Cc1ccsc1Br 1458a_100000210414_100009814289 [0,2,0,0,0,0|2,0,0]=4 2824 B11R1.228 CCC(=O)Cc1ccsc1Cl 1458a_100000210414_100010167017 [0,2,0,0,0,0|2,0,0]=4 2825 B11R1.228 CCC(=O)Cc1nc[nH]c1C 1458a_100000210414_100000751220 [0,2,0,0,0,0|2,0,0]=4 2826 B11R1.228 CCC(=O)Cc1ncoc1C 1458a_100000210414_200000693990 [0,2,0,0,0,0|2,0,0]=4 2827 B11R1.228 CCC(=O)Cn1nccc1C 1458a_100000759144_100000210202 [0,2,0,0,0,0|2,0,0]=4 2828 B11R1.228 CCN(C)Cc1occc1C 2230a_100000734364_100000210202 [0,2,0,0,0,0|2,0,0]=4 2829 B11R1.228 CCN(C)Cc1occc1C 269982a_100000734364_100000204670 [0,2,0,0,0,0|2,0,0]=4 2830 B11R1.228 CNC(=O)Cc1nccn1C 11a_106832991635_200015194843 [0,2,0,0,0,0|2,0,0]=4 2831 B11R1.228 CNC(=O)Cc1nccn1C 240690a_100102657272_200015194843 [0,2,0,0,0,0|2,0,0]=4 2832 B11R1.228 CNC(=O)Cn1nccc1C 11a_106832991635_100000759144 [0,2,0,0,0,0|2,0,0]=4 2833 B11R1.228 CNC(=O)Cn1nccc1C 1626a_100102657272_100000759144 [0,2,0,0,0,0|2,0,0]=4 2834 B11R1.228 CNC(=O)Cn1nccc1C 240690a_100102657272_100000759144 [0,2,0,0,0,0|2,0,0]=4 2835 B11R1.228 CNC(=O)Cn1nccc1C 527a_100102657272_100000759144 [0,2,0,0,0,0|2,0,0]=4 2836 B11R1.228 Cc1[nH]cnc1CC(=O)CO 1458a_100000210174_100000751220 [0,2,0,0,0,0|2,0,0]=4 2837 B11R1.228 Cc1ccnn1CC(=O)CF 1458a_100000759144_100015361967 [0,2,0,0,0,0|2,0,0]=4 2838 B11R1.228 Cc1ccoc1CN(C)CF 269982a_100000734364_100015361967 [0,2,0,0,0,0|2,0,0]=4 2839 B11R1.228 Cc1ocnc1CC(=O)CO 1458a_100000210174_200000693990 [0,2,0,0,0,0|2,0,0]=4 2840 B11R1.228 Cn1nccc1CC(=O)CO 1458a_100000210174_100000691648 [0,2,0,0,0,0|2,0,0]=4 2841 B11R1.228 O=C(CO)Cc1ccsc1Br 1458a_100000210174_100009814289 [0,2,0,0,0,0|2,0,0]=4 2842 B11R1.228 O=C(CO)Cc1ccsc1Cl 1458a_100000210174_100010167017 [0,2,0,0,0,0|2,0,0]=4 2843 B11R1.43 C=Cc1ccc(s1)NC(=O)C 271570a_100011290941_100010002808 [0,2,0,0,0,0|1,1,0]=4 2844 B11R1.43 C=Cc1cnn(c1)CC(=O)C 271570a_100011290941_100000763327 [0,2,0,0,0,0|2,0,0]=4 2845 B11R1.43 CC(=Cc1ccc(o1)C#N)C 271570a_100102525489_100000764468 [0,2,0,0,0,0|1,0,1]=4 2846 B11R1.43 CC(=Cc1ccc(o1)C=O)C 271570a_100102525489_100000185145 [0,2,0,0,0,0|1,0,1]=4 2847 B11R1.43 CC(=Cc1ccc(o1)CN)C 271570a_100102525489_100000708654 [0,2,0,0,0,0|1,0,1]=4 2848 B11R1.43 CC(=Cc1ccc(o1)CO)C 271570a_100102525489_100000246276 [0,2,0,0,0,0|1,0,1]=4 2849 B11R1.43 CC(=O)Cc1ccc(o1)C#N 1458a_100000070787_100009822536 [0,2,0,0,0,0|0,0,0]=2 2850 B11R1.43 CC(=O)Cc1ccc(o1)C=O 1458a_100000070787_200000079136 [0,2,0,0,0,0|0,0,0]=2 2851 B11R1.43 CC(=O)Cc1ccc(s1)C#N 1458a_100000070787_100010188212 [0,2,0,0,0,0|0,1,0]=3 2852 B11R1.43 CC(=O)Cc1csc(c1)C=O 1458a_100000070787_100000070824 [0,2,0,0,0,0|2,0,0]=4 2853 B11R1.43 CC(=O)Cn1cc(cn1)S[13CH3] 62a_100000763327_200025704644 [0,2,0,0,0,0|2,0,0]=4 2854 B11R1.43 CC(=O)Cn1cc(cn1)S[13CH3] 62a_200025704644_100000763327 [0,2,0,0,0,0|2,0,0]=4 2855 B11R1.43 CC(=O)Nc1ccc(s1)S[13CH3] 62a_200025704644_100010002808 [0,2,0,0,0,0|1,1,0]=4 2856 B11R1.43 CCc1cc(on1)CC(=O)C 1458a_100000070787_100012000519 [0,2,0,0,0,0|1,0,0]=3 2857 B11R1.43 CCc1ccc(o1)CN(C)C 270004a_100102631434_100000743199 [0,2,0,0,0,0|2,0,0]=4 2858 B11R1.43 CCc1nc(cs1)CC(=O)C 1458a_100000070787_100020603300 [0,2,0,0,0,0|2,0,0]=4 2859 B11R1.43 CCc1noc(n1)CC(=O)C 1458a_100000070787_100000735704 [0,2,0,0,0,0|2,0,0]=4 2860 B11R1.43 CCn1ccc(n1)CC(=O)C 1458a_100000070787_100000094151 [0,2,0,0,0,0|2,0,0]=4 2861 B11R1.43 CN(C)Cc1ccc(o1)C#N 2230a_100102631434_100009822536 [0,2,0,0,0,0|2,0,0]=4 2862 B11R1.43 CN(C)Cc1ccc(o1)C#N 269982a_100102631434_100009822536 [0,2,0,0,0,0|2,0,0]=4 2863 B11R1.43 CN(C)Cc1ccc(o1)C=O 2230a_100102631434_200000079136 [0,2,0,0,0,0|2,0,0]=4 2864 B11R1.43 CN(C)Cc1ccc(o1)C=O 269982a_100102631434_200000079136 [0,2,0,0,0,0|2,0,0]=4 2865 B11R1.43 CN(C)Cc1ccc(o1)CO 270004a_100102631434_100000758743 [0,2,0,0,0,0|2,0,0]=4 2866 B11R1.43 CSc1ccc(s1)NC(=O)C 62a_200000210301_100010002808 [0,2,0,0,0,0|1,1,0]=4 2867 B11R1.43 CSc1cnn(c1)CC(=O)C 62a_100000763327_200000210301 [0,2,0,0,0,0|2,0,0]=4 2868 B11R1.43 CSc1cnn(c1)CC(=O)C 62a_200000210301_100000763327 [0,2,0,0,0,0|2,0,0]=4 2869 B11R1.80 CC(=O)Cc1cc(n(n1)C)C 1458a_100000070787_100000761402 [0,2,0,0,0,0|2,0,0]=4 2870 B11R1.80 CC(=O)Cc1nc(c(s1)C)C 1458a_100000070787_100000763442 [0,2,0,0,0,0|1,1,0]=4 2871 B11R1.80 CC(=O)Cn1cc(c(n1)C)Br 1458a_100000759134_200000210301 [0,2,0,0,0,0|2,0,0]=4 2872 B11R1.80 CN(C)Cc1cc(c(o1)Br)Br 270004a_100102631434_100000188521 [0,2,0,0,0,0|2,0,0]=4 2873 B11R1.80 Cc1nn(cc1Br)CC(=O)[13CH3] 1458a_100000759134_200025704644 [0,2,0,0,0,0|2,0,0]=4 2874 B11R1.313 CC(=O)Cn1ncc(c1C)Br 1458a_100000759138_200000210301 [0,2,0,0,0,0|2,0,0]=4 2875 B11R1.313 Cc1c(cnn1CC(=O)[13CH3])Br 1458a_100000759138_200025704644 [0,2,0,0,0,0|2,0,0]=4 2876 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100000070787_100025716357 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100132302298_200000210301 [0,2,0,0,0,0|2,0,0]=4 2878 B11R1.645 CC(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200000210301 [0,2,0,0,0,0|2,0,0]=4 2879 B11R1.645 CC(=O)Cc1nc(sc1C)C 1458a_100000040699_200000210301 [0,2,0,0,0,0|2,0,0]=4 2880 B11R1.645 CC(=O)Cc1nn(cc1Br)C 1458a_100000070787_100009817083 [0,2,0,0,0,0|2,0,0]=4 2881 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,2,0,0,0,0|1,0,0]=3 2882 B11R1.645 CC(=O)Cc1sc(nc1Br)C 1458a_100000070787_100015664652 [0,2,0,0,0,0|1,1,0]=4 2883 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100000070787_100000760948 [0,2,0,0,0,0|1,1,0]=4 2884 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100025788167_200000210301 [0,2,0,0,0,0|1,1,0]=4 2885 B11R1.645 CC(=O)Cn1nc(cc1C)C 1458a_100000230924_200000210301 [0,2,0,0,0,0|2,0,0]=4 2886 B11R1.645 Cc1cc(n(n1)C)CC(=O)[13CH3] 1458a_100132302298_200025704644 [0,2,0,0,0,0|2,0,0]=4 2887 B11R1.645 Cc1cc(n(n1)CC(=O)[13CH3])C 1458a_100000230924_200025704644 [0,2,0,0,0,0|2,0,0]=4 2888 B11R1.645 Cc1nc(c(s1)C)CC(=O)[13CH3] 1458a_100000040699_200025704644 [0,2,0,0,0,0|2,0,0]=4 2889 B11R1.645 Cc1nc(c(s1)CC(=O)[13CH3])C 1458a_100025788167_200025704644 [0,2,0,0,0,0|1,1,0]=4 2890 B11R1.645 [13CH3]C(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200025704644 [0,2,0,0,0,0|2,0,0]=4 2891 B11R1.57 CCn1cncc1CC(=O)C 1458a_100000070787_100015185705 [0,2,0,0,0,0|2,0,0]=4 2892 B11R1.57 CCn1nccc1CC(=O)C 1458a_100000070787_100025719316 [0,2,0,0,0,0|2,0,0]=4 2893 B11R1.57 COc1ccoc1CN(C)C 270004a_100102631434_200009856553 [0,2,0,0,0,0|2,0,0]=4 2894 B11R1.495 CC(=O)Cn1c(ccc1C)C 1458a_100000238583_200000210301 [0,2,0,0,0,0|2,0,0]=4 2895 B11R1.495 Cc1ccc(n1CC(=O)[13CH3])C 1458a_100000238583_200025704644 [0,2,0,0,0,0|2,0,0]=4 2896 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,1,1,0,0|1,0,1]=4 2897 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,1,1,0,0|1,0,1]=4 2898 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [1,0,0,1,0,0|0,0,1]=3 2899 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [1,0,0,1,0,0|1,0,1]=4 2900 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [1,0,0,1,0,0|0,1,1]=4 2901 B9R2.2 c1ncc(o1)C2CC2 271570a_100011220607_100020591547 [1,0,0,1,0,0|1,0,1]=4 2902 B11R2.385 c1coc(c1)CNC2CC2 34a_100000185738_100000211595 [0,0,0,1,0,1|1,0,1]=4 2903 B11R2.385 c1coc(c1)COC2CC2 34a_100000210059_100000211595 [0,0,0,1,0,1|1,0,1]=4 2904 B11R2.385 c1coc(c1)SCC2CC2 62a_100000756562_100009814098 [0,0,0,1,0,1|1,0,1]=4 2905 B11R2.385 c1coc(c1)SCC2CC2 62a_100009814098_100000742324 [0,0,0,1,0,1|1,0,1]=4 2906 B11R2.385 c1coc(c1)SCC2CO2 62a_100009814098_102125554688 [0,0,0,1,0,1|0,0,2]=4 2907 B11R2.385 c1coc(c1)SCC2CO2 62a_102125554688_100009814098 [0,0,0,1,0,1|0,0,2]=4 2908 B11R2.385 c1coc(c1)SCC2CS2 62a_100000031435_100009814098 [0,0,0,1,0,1|0,1,1]=4 2909 B11R2.385 c1coc(c1)SCC2CS2 62a_100009814098_100000031435 [0,0,0,1,0,1|0,1,1]=4 2910 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100000745022_100009814098 [0,0,0,1,0,1|0,0,2]=4 2911 B11R2.385 c1coc(c1)SC[C@@H]2CO2 62a_100009814098_100000745022 [0,0,0,1,0,1|0,0,2]=4 2912 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,0,2,0|0,0,2]=4 2913 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,0,2,0|0,0,2]=4 2914 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,0,0,0,0,1|1,0,1]=4 2915 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,0,0,0,0,1|1,0,1]=4 2916 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,0,0,0,0,1|1,0,1]=4 2917 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,0,0,0,0,1|1,0,1]=4 2918 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,0,0,0,0,1|1,0,1]=4 2919 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,0,0,0,0,1|1,0,1]=4 2920 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,0,0,0,0,1|1,0,1]=4 2921 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,0,0,0,0,1|1,0,1]=4 2922 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,0,0,0,0,1|2,0,0]=4 2923 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,0,0,0,0,1|2,0,0]=4 2924 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,0,0,0,0,1|2,0,0]=4 2925 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,0,0,0,0,1|2,0,0]=4 2926 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,0,0,0,0,1|2,0,0]=4 2927 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,0,0,0,0,1|2,0,0]=4 2928 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,0,0,0,0,1|2,0,0]=4 2929 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,0,0,0,0,1|2,0,0]=4 2930 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,0,0,0,0,1|2,0,0]=4 2931 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,0,0,0,0,1|2,0,0]=4 2932 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,0,0,0,0,1|2,0,0]=4 2933 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,0,0,0,0,1|2,0,0]=4 2934 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,0,0,0,0,1|2,0,0]=4 2935 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,0,0,0,0,1|2,0,0]=4 2936 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,0,0,0,0,1|2,0,0]=4 2937 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,0,0,0,0,1|2,0,0]=4 2938 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,0,0,0,0,1|2,0,0]=4 2939 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [1,0,0,0,0,1|2,0,0]=4 2940 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [1,0,0,0,0,1|2,0,0]=4 2941 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [1,0,0,0,0,1|2,0,0]=4 2942 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [1,0,0,0,0,1|2,0,0]=4 2943 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,0,0,0,0,1|2,0,0]=4 2944 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,0,0,0,0,1|2,0,0]=4 2945 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,0,0,0,0,1|2,0,0]=4 2946 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,0,0,0,0,1|2,0,0]=4 2947 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,0,0,0,0,1|2,0,0]=4 2948 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,0,0,0,0,1|2,0,0]=4 2949 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,0,0,0,0,1|2,0,0]=4 2950 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [1,0,0,0,0,1|2,0,0]=4 2951 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [1,0,0,0,0,1|2,0,0]=4 2952 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [1,0,0,0,0,1|2,0,0]=4 2953 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [1,0,0,0,0,1|2,0,0]=4 2954 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,0,0,0,0,1|2,0,0]=4 2955 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,0,0,0,0,1|2,0,0]=4 2956 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,0,0,0,0,1|2,0,0]=4 2957 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,0,0,0,0,1|2,0,0]=4 2958 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,0,0,0,0,1|2,0,0]=4 2959 B9R1.8 COCc1cccnn1 34a_100138415774_100016990269 [1,0,0,0,0,1|2,0,0]=4 2960 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,0,0,0,0,1|2,0,0]=4 2961 B9R1.8 COCc1ncccn1 34a_100138415774_100000703007 [1,0,0,0,0,1|2,0,0]=4 2962 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,0,0,0,0,1|2,0,0]=4 2963 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,0,0,0,0,1|2,0,0]=4 2964 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,0,0,0,0,1|2,0,0]=4 2965 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,0,0,0,0,1|2,0,0]=4 2966 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,0,0,0,0,1|2,0,0]=4 2967 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,0,0,0,0,1|2,0,0]=4 2968 B9R1.8 CSCc1cccnn1 62a_100016990269_200000210301 [1,0,0,0,0,1|2,0,0]=4 2969 B9R1.8 CSCc1cccnn1 62a_200000210301_100016990269 [1,0,0,0,0,1|2,0,0]=4 2970 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,0,0,0,0,1|2,0,0]=4 2971 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,0,0,0,0,1|2,0,0]=4 2972 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,0,0,0,0,1|2,0,0]=4 2973 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,0,0,0,0,1|2,0,0]=4 2974 B9R1.8 CSCc1ncccn1 62a_100000703007_200000210301 [1,0,0,0,0,1|2,0,0]=4 2975 B9R1.8 CSCc1ncccn1 62a_200000210301_100000703007 [1,0,0,0,0,1|2,0,0]=4 2976 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,0,0,0,0,1|2,0,0]=4 2977 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,0,0,0,0,1|2,0,0]=4 2978 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [1,0,0,0,0,1|2,0,0]=4 2979 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,0,0,0,0,1|2,0,0]=4 2980 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,0,0,0,0,1|2,0,0]=4 2981 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,0,0,0,0,1|2,0,0]=4 2982 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,0,0,0,0,1|2,0,0]=4 2983 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,0,0,0,0,1|2,0,0]=4 2984 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,0,0,0,0,1|2,0,0]=4 2985 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,0,0,0,0,1|2,0,0]=4 2986 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,0,0,0,0,1|2,0,0]=4 2987 B9R1.8 [13CH3]SCc1cccnn1 62a_100016990269_200025704644 [1,0,0,0,0,1|2,0,0]=4 2988 B9R1.8 [13CH3]SCc1cccnn1 62a_200025704644_100016990269 [1,0,0,0,0,1|2,0,0]=4 2989 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,0,0,0,0,1|2,0,0]=4 2990 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,0,0,0,0,1|2,0,0]=4 2991 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,0,0,0,0,1|2,0,0]=4 2992 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,0,0,0,0,1|2,0,0]=4 2993 B9R1.8 [13CH3]SCc1ncccn1 62a_100000703007_200025704644 [1,0,0,0,0,1|2,0,0]=4 2994 B9R1.8 [13CH3]SCc1ncccn1 62a_200025704644_100000703007 [1,0,0,0,0,1|2,0,0]=4 2995 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,2|2,0,0]=4 2996 B11R1.91 C=C(C)CNc1cccnn1 27a_100000765925_100016991348 [0,0,0,0,0,2|2,0,0]=4 2997 B11R1.91 C=C(C)CNc1ccncn1 27a_100000765925_100000703185 [0,0,0,0,0,2|2,0,0]=4 2998 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,2|2,0,0]=4 2999 B11R1.91 C=C(C)CNc1ncccn1 27a_100000765925_100000211032 [0,0,0,0,0,2|2,0,0]=4 3000 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,2|2,0,0]=4 3001 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,2|2,0,0]=4 3002 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,2|2,0,0]=4 3003 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,2|2,0,0]=4 3004 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,2|2,0,0]=4 3005 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,2|2,0,0]=4 3006 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,2|2,0,0]=4 3007 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,2|2,0,0]=4 3008 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,2|2,0,0]=4 3009 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,2|2,0,0]=4 3010 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,2|2,0,0]=4 3011 B11R1.91 C=C(C)CSc1cccnn1 62a_100000748629_100016991348 [0,0,0,0,0,2|2,0,0]=4 3012 B11R1.91 C=C(C)CSc1cccnn1 62a_100016991348_100000211660 [0,0,0,0,0,2|2,0,0]=4 3013 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,2|2,0,0]=4 3014 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,2|2,0,0]=4 3015 B11R1.91 C=C(C)CSc1ccncn1 62a_100000703185_100000211660 [0,0,0,0,0,2|2,0,0]=4 3016 B11R1.91 C=C(C)CSc1ccncn1 62a_100000748629_100000703185 [0,0,0,0,0,2|2,0,0]=4 3017 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,2|2,0,0]=4 3018 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,2|2,0,0]=4 3019 B11R1.91 C=C(C)CSc1ncccn1 62a_100000211032_100000211660 [0,0,0,0,0,2|2,0,0]=4 3020 B11R1.91 C=C(C)CSc1ncccn1 62a_100000748629_100000211032 [0,0,0,0,0,2|2,0,0]=4 3021 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,2|1,0,1]=4 3022 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,2|1,0,1]=4 3023 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,2|1,0,1]=4 3024 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,2|1,0,1]=4 3025 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,2|1,0,1]=4 3026 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,2|1,0,1]=4 3027 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,2|1,0,0]=3 3028 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,2|1,0,0]=3 3029 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,2|1,0,0]=3 3030 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,2|1,0,0]=3 3031 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,2|1,0,0]=3 3032 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,2|1,0,0]=3 3033 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,2|1,0,0]=3 3034 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,2|1,0,0]=3 3035 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,2|1,0,0]=3 3036 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,2|1,0,0]=3 3037 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,2|1,0,0]=3 3038 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,2|1,0,0]=3 3039 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,2|1,0,0]=3 3040 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,2|1,0,0]=3 3041 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 3042 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 3043 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,2|1,0,0]=3 3044 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,2|1,0,0]=3 3045 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 3046 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 3047 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 3048 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,2|1,0,0]=3 3049 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,2|1,0,0]=3 3050 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,2|1,0,0]=3 3051 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,2|1,0,0]=3 3052 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,2|1,0,0]=3 3053 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,2|1,0,0]=3 3054 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,2|1,0,0]=3 3055 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,2|1,0,0]=3 3056 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,2|1,0,0]=3 3057 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,2|1,0,0]=3 3058 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,2|1,0,0]=3 3059 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,2|1,0,0]=3 3060 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,2|1,0,0]=3 3061 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,2|1,0,0]=3 3062 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,2|1,0,0]=3 3063 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,2|1,0,0]=3 3064 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,2|1,0,0]=3 3065 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,2|2,0,0]=4 3066 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,2|2,0,0]=4 3067 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,2|2,0,0]=4 3068 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,2|1,0,0]=3 3069 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,2|1,0,0]=3 3070 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,2|1,0,0]=3 3071 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,2|2,0,0]=4 3072 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,2|2,0,0]=4 3073 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,2|2,0,0]=4 3074 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,2|2,0,0]=4 3075 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,2|2,0,0]=4 3076 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,2|2,0,0]=4 3077 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,2|2,0,0]=4 3078 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,2|2,0,0]=4 3079 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,2|2,0,0]=4 3080 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,2|2,0,0]=4 3081 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,2|2,0,0]=4 3082 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 3083 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 3084 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,2|2,0,0]=4 3085 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,2|2,0,0]=4 3086 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,2|2,0,0]=4 3087 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,2|2,0,0]=4 3088 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,2|2,0,0]=4 3089 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,2|2,0,0]=4 3090 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,2|2,0,0]=4 3091 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,2|2,0,0]=4 3092 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,2|2,0,0]=4 3093 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,2|2,0,0]=4 3094 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,2|2,0,0]=4 3095 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,2|2,0,0]=4 3096 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,2|2,0,0]=4 3097 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,2|2,0,0]=4 3098 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,2|2,0,0]=4 3099 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,2|2,0,0]=4 3100 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,2|2,0,0]=4 3101 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,2|2,0,0]=4 3102 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,2|2,0,0]=4 3103 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,2|2,0,0]=4 3104 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,2|2,0,0]=4 3105 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,2|2,0,0]=4 3106 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,2|2,0,0]=4 3107 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,2|2,0,0]=4 3108 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,2|2,0,0]=4 3109 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,2|2,0,0]=4 3110 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,2|2,0,0]=4 3111 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,2|2,0,0]=4 3112 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,2|2,0,0]=4 3113 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,2|2,0,0]=4 3114 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,2|2,0,0]=4 3115 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,2|2,0,0]=4 3116 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,2|2,0,0]=4 3117 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,2|2,0,0]=4 3118 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,2|2,0,0]=4 3119 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,2|2,0,0]=4 3120 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,2|2,0,0]=4 3121 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,2|1,0,1]=4 3122 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,2|1,0,1]=4 3123 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,2|1,0,1]=4 3124 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,2|1,0,1]=4 3125 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,2|1,0,1]=4 3126 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,2|1,0,1]=4 3127 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,2|1,0,0]=3 3128 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,2|1,0,0]=3 3129 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,2|1,0,0]=3 3130 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,2|1,0,0]=3 3131 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,2|1,0,0]=3 3132 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,2|1,0,0]=3 3133 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,2|1,0,0]=3 3134 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,2|1,0,0]=3 3135 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,2|1,0,0]=3 3136 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,2|1,0,0]=3 3137 B11R1.172 C=C(C)CCSc1ccco1 62a_100000730704_100009814098 [0,0,0,0,0,2|1,0,0]=3 3138 B11R1.172 C=C(C)CCSc1ccco1 62a_100009814098_100000730704 [0,0,0,0,0,2|1,0,0]=3 3139 B11R1.172 C=C(C)CCSc1cccs1 62a_100000730704_100011215356 [0,0,0,0,0,2|1,1,0]=4 3140 B11R1.172 C=C(C)CCSc1cccs1 62a_100011215356_100000730704 [0,0,0,0,0,2|1,1,0]=4 3141 B11R1.172 C=C(C)CCSc1cnco1 62a_100000730704_100020591547 [0,0,0,0,0,2|2,0,0]=4 3142 B11R1.172 C=C(C)CCSc1cnco1 62a_100020591547_100000730704 [0,0,0,0,0,2|2,0,0]=4 3143 B11R1.172 C=C(C)CCSc1ncco1 62a_100000730704_100011787736 [0,0,0,0,0,2|2,0,0]=4 3144 B11R1.172 C=C(C)CCSc1ncco1 62a_100011787736_100000730704 [0,0,0,0,0,2|2,0,0]=4 3145 B11R1.172 C=C(C)CNCc1ccco1 2230a_100000185738_100000748629 [0,0,0,0,0,2|1,0,0]=3 3146 B11R1.172 C=C(C)CNCc1ccco1 34a_100000185738_100000748629 [0,0,0,0,0,2|1,0,0]=3 3147 B11R1.172 C=C(C)CNCc1cccs1 2230a_100000211653_100000748629 [0,0,0,0,0,2|1,1,0]=4 3148 B11R1.172 C=C(C)CNCc1ncco1 2230a_100016994969_100000748629 [0,0,0,0,0,2|2,0,0]=4 3149 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,0,0,0,0,2|1,0,0]=3 3150 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,0,0,0,0,2|1,1,0]=4 3151 B11R1.172 C=C(C)COCc1ccno1 34a_100000740478_100000748629 [0,0,0,0,0,2|2,0,0]=4 3152 B11R1.172 C=C(C)COCc1ncco1 34a_100000062594_100000748629 [0,0,0,0,0,2|2,0,0]=4 3153 B11R1.172 C=C(C)COCc1ncco1 34a_100000210245_103436540062 [0,0,0,0,0,2|2,0,0]=4 3154 B11R1.172 C=C(C)CSCc1ncco1 62a_100000748629_103436540062 [0,0,0,0,0,2|2,0,0]=4 3155 B11R1.172 C=C(C)CSCc1ncco1 62a_103436540062_100000211660 [0,0,0,0,0,2|2,0,0]=4 3156 B11R1.172 C=C(F)CNCc1ccco1 2230a_100000185738_100009893438 [0,0,0,0,0,2|1,0,1]=4 3157 B11R1.172 C=C(F)CNCc1ccco1 34a_100000185738_100009893438 [0,0,0,0,0,2|1,0,1]=4 3158 B11R1.172 C=C(F)COCc1ccco1 34a_100000210059_100009893438 [0,0,0,0,0,2|1,0,1]=4 3159 B11R1.172 CC(=CCSc1ccco1)C 62a_100000761012_100009814098 [0,0,0,0,0,2|1,0,0]=3 3160 B11R1.172 CC(=CCSc1ccco1)C 62a_100009814098_100000761012 [0,0,0,0,0,2|1,0,0]=3 3161 B11R1.172 CC(=CCSc1cccs1)C 62a_100000761012_100011215356 [0,0,0,0,0,2|1,1,0]=4 3162 B11R1.172 CC(=CCSc1cccs1)C 62a_100011215356_100000761012 [0,0,0,0,0,2|1,1,0]=4 3163 B11R1.172 CC(=CCSc1cnco1)C 62a_100000761012_100020591547 [0,0,0,0,0,2|2,0,0]=4 3164 B11R1.172 CC(=CCSc1cnco1)C 62a_100020591547_100000761012 [0,0,0,0,0,2|2,0,0]=4 3165 B11R1.172 CC(=CCSc1ncco1)C 62a_100000761012_100011787736 [0,0,0,0,0,2|2,0,0]=4 3166 B11R1.172 CC(=CCSc1ncco1)C 62a_100011787736_100000761012 [0,0,0,0,0,2|2,0,0]=4 3167 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,0,0,0,0,2|0,1,0]=3 3168 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,0,0,0,0,2|0,1,0]=3 3169 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000070787_200009814367 [0,0,0,0,0,2|2,0,0]=4 3170 B11R1.172 CC(=O)CCCn1cccc1 1458a_100000691410_200000210301 [0,0,0,0,0,2|2,0,0]=4 3171 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000070787_100000739983 [0,0,0,0,0,2|2,0,0]=4 3172 B11R1.172 CC(=O)CCCn1cccn1 1458a_100000742828_200000210301 [0,0,0,0,0,2|2,0,0]=4 3173 B11R1.172 CC(=O)CCOc1ccsc1 7a_100000106738_100000053229 [0,0,0,0,0,2|2,0,0]=4 3174 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000053229_100000756875 [0,0,0,0,0,2|2,0,0]=4 3175 B11R1.172 CC(=O)CCSc1c[nH]cn1 62a_100000756875_100000053229 [0,0,0,0,0,2|2,0,0]=4 3176 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000053229_100000062575 [0,0,0,0,0,2|2,0,0]=4 3177 B11R1.172 CC(=O)CCSc1cc[nH]n1 62a_100000062575_100000053229 [0,0,0,0,0,2|2,0,0]=4 3178 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,0,0,0,0,2|0,0,0]=2 3179 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,0,0,0,0,2|0,0,0]=2 3180 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,0,0,0,0,2|0,1,0]=3 3181 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,0,0,0,0,2|0,1,0]=3 3182 B11R1.172 CC(=O)CCSc1ccoc1 62a_100000053229_100011215275 [0,0,0,0,0,2|2,0,0]=4 3183 B11R1.172 CC(=O)CCSc1ccoc1 62a_100011215275_100000053229 [0,0,0,0,0,2|2,0,0]=4 3184 B11R1.172 CC(=O)CCSc1ccon1 62a_100000053229_100009818083 [0,0,0,0,0,2|2,0,0]=4 3185 B11R1.172 CC(=O)CCSc1ccon1 62a_100009818083_100000053229 [0,0,0,0,0,2|2,0,0]=4 3186 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000053229_100000738268 [0,0,0,0,0,2|2,0,0]=4 3187 B11R1.172 CC(=O)CCSc1ccsc1 62a_100000738268_100000053229 [0,0,0,0,0,2|2,0,0]=4 3188 B11R1.172 CC(=O)CCSc1ccsn1 62a_100000053229_100009818082 [0,0,0,0,0,2|2,0,0]=4 3189 B11R1.172 CC(=O)CCSc1ccsn1 62a_100009818082_100000053229 [0,0,0,0,0,2|2,0,0]=4 3190 B11R1.172 CC(=O)CCSc1cnco1 62a_100000053229_100020591547 [0,0,0,0,0,2|1,0,0]=3 3191 B11R1.172 CC(=O)CCSc1cnco1 62a_100020591547_100000053229 [0,0,0,0,0,2|1,0,0]=3 3192 B11R1.172 CC(=O)CCSc1cncs1 62a_100000053229_100011934649 [0,0,0,0,0,2|1,1,0]=4 3193 B11R1.172 CC(=O)CCSc1cncs1 62a_100011934649_100000053229 [0,0,0,0,0,2|1,1,0]=4 3194 B11R1.172 CC(=O)CCSc1cscn1 62a_100000053229_100000751502 [0,0,0,0,0,2|2,0,0]=4 3195 B11R1.172 CC(=O)CCSc1cscn1 62a_100000751502_100000053229 [0,0,0,0,0,2|2,0,0]=4 3196 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100000053229_100025796157 [0,0,0,0,0,2|2,0,0]=4 3197 B11R1.172 CC(=O)CCSc1ncc[nH]1 62a_100025796157_100000053229 [0,0,0,0,0,2|2,0,0]=4 3198 B11R1.172 CC(=O)CCSc1ncco1 62a_100000053229_100011787736 [0,0,0,0,0,2|1,0,0]=3 3199 B11R1.172 CC(=O)CCSc1ncco1 62a_100011787736_100000053229 [0,0,0,0,0,2|1,0,0]=3 3200 B11R1.172 CC(=O)CCSc1nccs1 62a_100000053229_100000211983 [0,0,0,0,0,2|1,1,0]=4 3201 B11R1.172 CC(=O)CCSc1nccs1 62a_100000211983_100000053229 [0,0,0,0,0,2|1,1,0]=4 3202 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,0,0,0,0,2|2,0,0]=4 3203 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,0,0,0,0,2|2,0,0]=4 3204 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,0,0,0,0,2|2,0,0]=4 3205 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,0,0,0,0,2|2,0,0]=4 3206 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,0,0,0,0,2|1,1,0]=4 3207 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,0,0,0,0,2|2,0,0]=4 3208 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,0,0,0,0,2|2,0,0]=4 3209 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,0,0,0,0,2|1,0,0]=3 3210 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,0,0,0,0,2|1,1,0]=4 3211 B11R1.172 CC(=O)NCCc1c[nH]cn1 11a_100000755092_100015343762 [0,0,0,0,0,2|2,0,0]=4 3212 B11R1.172 CC(=O)NCCc1c[nH]cn1 527a_100000755092_100103153847 [0,0,0,0,0,2|2,0,0]=4 3213 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,0,0,0,0,2|0,0,0]=2 3214 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,0,0,0,0,2|0,0,0]=2 3215 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,0,0,0,0,2|0,0,0]=2 3216 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,0,0,0,0,2|0,0,0]=2 3217 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,0,0,0,0,2|0,1,0]=3 3218 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,0,0,0,0,2|0,1,0]=3 3219 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,0,0,0,0,2|0,1,0]=3 3220 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,0,0,0,0,2|0,1,0]=3 3221 B11R1.172 CC(=O)NCCc1ccsc1 11a_100000692642_100015343762 [0,0,0,0,0,2|2,0,0]=4 3222 B11R1.172 CC(=O)NCCc1ccsc1 1626a_100000692642_100015343762 [0,0,0,0,0,2|2,0,0]=4 3223 B11R1.172 CC(=O)NCCc1ccsc1 240690a_100000692642_100015343762 [0,0,0,0,0,2|2,0,0]=4 3224 B11R1.172 CC(=O)NCCc1ccsc1 527a_100000692642_100103153847 [0,0,0,0,0,2|2,0,0]=4 3225 B11R1.172 CC(=O)NCCc1cncs1 11a_100016991637_100015343762 [0,0,0,0,0,2|1,1,0]=4 3226 B11R1.172 CC(=O)NCCc1cncs1 1626a_100016991637_100015343762 [0,0,0,0,0,2|1,1,0]=4 3227 B11R1.172 CC(=O)NCCc1cncs1 240690a_100016991637_100015343762 [0,0,0,0,0,2|1,1,0]=4 3228 B11R1.172 CC(=O)NCCc1cncs1 527a_100016991637_100103153847 [0,0,0,0,0,2|1,1,0]=4 3229 B11R1.172 CC(=O)NCCc1ncc[nH]1 11a_100000754300_100015343762 [0,0,0,0,0,2|2,0,0]=4 3230 B11R1.172 CC(=O)NCCc1ncc[nH]1 240690a_100000754300_100015343762 [0,0,0,0,0,2|2,0,0]=4 3231 B11R1.172 CC(=O)NCCc1ncc[nH]1 527a_100000754300_100103153847 [0,0,0,0,0,2|2,0,0]=4 3232 B11R1.172 CC(=O)NCCc1nccs1 11a_100015186391_100015343762 [0,0,0,0,0,2|1,1,0]=4 3233 B11R1.172 CC(=O)NCCc1nccs1 1626a_100015186391_100015343762 [0,0,0,0,0,2|1,1,0]=4 3234 B11R1.172 CC(=O)NCCc1nccs1 240690a_100015186391_100015343762 [0,0,0,0,0,2|1,1,0]=4 3235 B11R1.172 CC(=O)NCCc1nccs1 527a_100015186391_100103153847 [0,0,0,0,0,2|1,1,0]=4 3236 B11R1.172 CC(=O)NCCn1cccc1 11a_100011368172_100015343762 [0,0,0,0,0,2|2,0,0]=4 3237 B11R1.172 CC(=O)NCCn1cccc1 240690a_100011368172_100015343762 [0,0,0,0,0,2|2,0,0]=4 3238 B11R1.172 CC(=O)NCCn1cccc1 527a_100011368172_100103153847 [0,0,0,0,0,2|2,0,0]=4 3239 B11R1.172 CC(=O)NCCn1cccn1 11a_100011200920_100015343762 [0,0,0,0,0,2|2,0,0]=4 3240 B11R1.172 CC(=O)NCCn1cccn1 240690a_100011200920_100015343762 [0,0,0,0,0,2|2,0,0]=4 3241 B11R1.172 CC(=O)NCCn1cccn1 527a_100011200920_100103153847 [0,0,0,0,0,2|2,0,0]=4 3242 B11R1.172 CC(=O)NN=Cc1ccc[nH]1 4a_100000189765_100000211237 [0,0,0,0,0,2|1,0,1]=4 3243 B11R1.172 CC(=O)NN=Cc1ccco1 4a_100000189765_100000186105 [0,0,0,0,0,2|0,0,1]=3 3244 B11R1.172 CC(=O)NN=Cc1cccs1 4a_100000189765_100000209959 [0,0,0,0,0,2|0,1,1]=4 3245 B11R1.172 CC(=O)NN=Cc1cnco1 4a_100000189765_100000064291 [0,0,0,0,0,2|1,0,1]=4 3246 B11R1.172 CC(=O)NN=Cc1ncco1 4a_100000189765_100000064290 [0,0,0,0,0,2|1,0,1]=4 3247 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [0,0,0,0,0,2|2,0,0]=4 3248 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,0,0,0,0,2|2,0,0]=4 3249 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,0,0,0,0,2|2,0,0]=4 3250 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000062575_100000076356 [0,0,0,0,0,2|2,0,0]=4 3251 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000076356_100000062575 [0,0,0,0,0,2|2,0,0]=4 3252 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,0,0,0,0,2|0,0,0]=2 3253 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,0,0,0,0,2|0,0,0]=2 3254 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,0,0,0,0,2|0,1,0]=3 3255 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,0,0,0,0,2|0,1,0]=3 3256 B11R1.172 CC(=O)OCSc1ccoc1 62a_100000076356_100011215275 [0,0,0,0,0,2|2,0,0]=4 3257 B11R1.172 CC(=O)OCSc1ccoc1 62a_100011215275_100000076356 [0,0,0,0,0,2|2,0,0]=4 3258 B11R1.172 CC(=O)OCSc1ccon1 62a_100000076356_100009818083 [0,0,0,0,0,2|2,0,0]=4 3259 B11R1.172 CC(=O)OCSc1ccon1 62a_100009818083_100000076356 [0,0,0,0,0,2|2,0,0]=4 3260 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000076356_100000738268 [0,0,0,0,0,2|2,0,0]=4 3261 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000738268_100000076356 [0,0,0,0,0,2|2,0,0]=4 3262 B11R1.172 CC(=O)OCSc1ccsn1 62a_100000076356_100009818082 [0,0,0,0,0,2|2,0,0]=4 3263 B11R1.172 CC(=O)OCSc1ccsn1 62a_100009818082_100000076356 [0,0,0,0,0,2|2,0,0]=4 3264 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,0,0,0,0,2|1,0,0]=3 3265 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,0,0,0,0,2|1,0,0]=3 3266 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [0,0,0,0,0,2|1,1,0]=4 3267 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [0,0,0,0,0,2|1,1,0]=4 3268 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [0,0,0,0,0,2|2,0,0]=4 3269 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [0,0,0,0,0,2|2,0,0]=4 3270 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100000076356_100025796157 [0,0,0,0,0,2|2,0,0]=4 3271 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100025796157_100000076356 [0,0,0,0,0,2|2,0,0]=4 3272 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,0,0,0,0,2|1,0,0]=3 3273 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,0,0,0,0,2|1,0,0]=3 3274 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [0,0,0,0,0,2|1,1,0]=4 3275 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [0,0,0,0,0,2|1,1,0]=4 3276 B11R1.172 CC(C)CC=Cc1ccco1 271570a_100016259101_100009814098 [0,0,0,0,0,2|1,0,1]=4 3277 B11R1.172 CC(C)CCSc1ccco1 62a_100000210312_100009814098 [0,0,0,0,0,2|1,0,1]=4 3278 B11R1.172 CC(C)CCSc1ccco1 62a_100009814098_100000210312 [0,0,0,0,0,2|1,0,1]=4 3279 B11R1.172 CC(C)CNCc1ccco1 207a_100000210953_100000186105 [0,0,0,0,0,2|1,0,1]=4 3280 B11R1.172 CC(C)CNCc1ccco1 2230a_100000185738_100000210760 [0,0,0,0,0,2|1,0,1]=4 3281 B11R1.172 CC(C)CNCc1ccco1 270004a_100000185738_100000210432 [0,0,0,0,0,2|1,0,1]=4 3282 B11R1.172 CC(C)CNCc1ccco1 270004a_100000210953_100000186105 [0,0,0,0,0,2|1,0,1]=4 3283 B11R1.172 CC(C)CNCc1ccco1 34a_100000185738_100000210624 [0,0,0,0,0,2|1,0,1]=4 3284 B11R1.172 CC(C)COCc1ccco1 34a_100000210059_100000210624 [0,0,0,0,0,2|1,0,1]=4 3285 B11R1.172 CC(C)NCCc1ccco1 2230a_100000694680_100000210206 [0,0,0,0,0,2|1,0,1]=4 3286 B11R1.172 CC(C)NCCc1ccco1 34a_100000694680_100000210206 [0,0,0,0,0,2|1,0,1]=4 3287 B11R1.172 CC(C)OCSc1ccco1 62a_100000709892_100009814098 [0,0,0,0,0,2|1,0,1]=4 3288 B11R1.172 CC(C)OCSc1ccco1 62a_100009814098_100000709892 [0,0,0,0,0,2|1,0,1]=4 3289 B11R1.172 CC(O)CCSc1ccco1 62a_100009814098_100012276601 [0,0,0,0,0,2|0,0,2]=4 3290 B11R1.172 CC(O)CCSc1ccco1 62a_100012276601_100009814098 [0,0,0,0,0,2|0,0,2]=4 3291 B11R1.172 CC(O)CNCc1ccco1 207a_100000210904_100000186105 [0,0,0,0,0,2|0,0,2]=4 3292 B11R1.172 CC(O)CNCc1ccco1 2230a_100000185738_100011218427 [0,0,0,0,0,2|0,0,2]=4 3293 B11R1.172 CC(O)CNCc1ccco1 270004a_100000210904_100000186105 [0,0,0,0,0,2|0,0,2]=4 3294 B11R1.172 CC(O)CNCc1ccco1 34a_100000185738_100011218427 [0,0,0,0,0,2|0,0,2]=4 3295 B11R1.172 CC(O)COCc1ccco1 34a_100000210059_100011218427 [0,0,0,0,0,2|0,0,2]=4 3296 B11R1.172 CN(C)CC=Cc1ccco1 270004a_100102631434_100000185671 [0,0,0,0,0,2|2,0,0]=4 3297 B11R1.172 CN(C)CCSc1ccco1 62a_100009814098_100000755713 [0,0,0,0,0,2|2,0,0]=4 3298 B11R1.172 C[C@@H](O)CNCc1ccco1 2230a_100000185738_100009817552 [0,0,0,0,0,2|0,0,2]=4 3299 B11R1.172 C[C@@H](O)CNCc1ccco1 34a_100000185738_100009817552 [0,0,0,0,0,2|0,0,2]=4 3300 B11R1.172 C[C@@H](O)COCc1ccco1 34a_100000210059_100009817552 [0,0,0,0,0,2|0,0,2]=4 3301 B11R1.172 NC(=O)CCSc1ccco1 62a_100000744528_100009814098 [0,0,0,0,0,2|1,0,0]=3 3302 B11R1.172 NC(=O)CCSc1ccco1 62a_100009814098_100000744528 [0,0,0,0,0,2|1,0,0]=3 3303 B11R1.172 NC(=O)CCSc1cccs1 62a_100000744528_100011215356 [0,0,0,0,0,2|1,1,0]=4 3304 B11R1.172 NC(=O)CCSc1cccs1 62a_100011215356_100000744528 [0,0,0,0,0,2|1,1,0]=4 3305 B11R1.172 NC(=O)CCSc1cnco1 62a_100000744528_100020591547 [0,0,0,0,0,2|2,0,0]=4 3306 B11R1.172 NC(=O)CCSc1cnco1 62a_100020591547_100000744528 [0,0,0,0,0,2|2,0,0]=4 3307 B11R1.172 NC(=O)CCSc1ncco1 62a_100000744528_100011787736 [0,0,0,0,0,2|2,0,0]=4 3308 B11R1.172 NC(=O)CCSc1ncco1 62a_100011787736_100000744528 [0,0,0,0,0,2|2,0,0]=4 3309 B11R1.172 NC(=O)CNCc1ccco1 2230a_100000185738_100000747473 [0,0,0,0,0,2|1,0,0]=3 3310 B11R1.172 NC(=O)CNCc1ccco1 34a_100000185738_100000187820 [0,0,0,0,0,2|1,0,0]=3 3311 B11R1.172 NC(=O)CNCc1cccs1 2230a_100000211653_100000747473 [0,0,0,0,0,2|1,1,0]=4 3312 B11R1.172 NC(=O)CNCc1ncco1 2230a_100000711301_103436540062 [0,0,0,0,0,2|2,0,0]=4 3313 B11R1.172 NC(=O)CNCc1ncco1 2230a_100016994969_100000747473 [0,0,0,0,0,2|2,0,0]=4 3314 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,0,0,0,0,2|1,0,0]=3 3315 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,0,0,0,0,2|1,1,0]=4 3316 B11R1.172 NC(=O)COCc1ccno1 34a_100000740478_100000187820 [0,0,0,0,0,2|2,0,0]=4 3317 B11R1.172 NC(=O)COCc1ncco1 34a_100000062594_100000187820 [0,0,0,0,0,2|2,0,0]=4 3318 B11R1.172 NC(=O)CSCc1ncco1 62a_100000747473_103436540062 [0,0,0,0,0,2|2,0,0]=4 3319 B11R1.172 NC(=O)CSCc1ncco1 62a_103436540062_100000747473 [0,0,0,0,0,2|2,0,0]=4 3320 B11R1.172 O=C(O)CNCc1ncco1 269956a_100016091260_103436540062 [0,0,0,0,0,2|2,0,0]=4 3321 B11R1.172 O=C([O-])CNCc1ccco1 34a_100000185738_100020667443 [0,0,0,0,0,2|1,0,0]=3 3322 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,0,0,0,0,2|1,0,0]=3 3323 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,0,0,0,0,2|1,1,0]=4 3324 B11R1.172 O=C([O-])COCc1ccno1 34a_100000740478_100020667443 [0,0,0,0,0,2|2,0,0]=4 3325 B11R1.172 O=C([O-])COCc1ncco1 34a_100000062594_100020667443 [0,0,0,0,0,2|2,0,0]=4 3326 B11R1.172 O=C([O-])CSCc1ncco1 62a_100020667443_103436540062 [0,0,0,0,0,2|2,0,0]=4 3327 B11R1.172 O=C([O-])CSCc1ncco1 62a_103436540062_100020667443 [0,0,0,0,0,2|2,0,0]=4 3328 B11R1.172 O=[N+]([O-])CNCc1ccco1 34a_100000185738_100000761209 [0,0,0,0,0,2|2,0,0]=4 3329 B11R1.172 O=[N+]([O-])COCc1ccco1 34a_100000210059_100000761209 [0,0,0,0,0,2|2,0,0]=4 3330 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,0,0,0,0,2|0,1,0]=3 3331 B11R1.172 [13CH3]C(=O)CCCn1cccc1 1458a_100000691410_200025704644 [0,0,0,0,0,2|2,0,0]=4 3332 B11R1.172 [13CH3]C(=O)CCCn1cccn1 1458a_100000742828_200025704644 [0,0,0,0,0,2|2,0,0]=4