0 B10R1.18 CC(C)Nc1ncccn1 CSC000156085 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CCSc1ncccn1 CSC000000290 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.20 CC(=O)Nc1ccc(cn1)Br CSC000193312 [0,1,0,0,0,0|2,0,1]=4 4 B11R1.20 CC(=O)Nc1ccc(cn1)C CSC000016827 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.20 CC(=O)Nc1ccc(cn1)Cl CSC000016797 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.20 CC(=O)Nc1ccc(cn1)F CSC000059403 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.20 CC(=O)Nc1ccc(cn1)I CSC011202855 [0,1,0,0,0,0|2,0,1]=4 8 B11R1.20 CC(C)Nc1ccc(cc1)Br CSC000219625 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 CC(C)Nc1ncc(cn1)Br CSC011934052 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.20 CC(C)Nc1ncc(cn1)Cl CSC012056698 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.20 CC(C)Nc1ncc(cn1)F CSC012056699 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.20 CC(C)Sc1ccc(cc1)Br CSC009811894 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 CC(C)Sc1ccc(cc1)C CSC000006694 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.20 CC(C)Sc1ccc(cc1)F CSC000006008 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 CC(C)Sc1ccc(nn1)Cl CSC000750922 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.40 CNC(=O)Nc1ccccn1 CSC000024314 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 CC(=O)Nc1ncccc1C CSC000016773 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.86 CC(C)Oc1ccccc1F CSC000173055 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.157 CC(=O)Nc1cc(ccn1)Br CSC012362434 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.157 CC(=O)Nc1cc(ccn1)C CSC000016760 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.157 CC(=O)Nc1cc(ccn1)Cl CSC011996789 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.157 CC(=O)Nc1cccc(n1)F CSC012002399 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.157 CC(C)Oc1cccc(c1)F CSC000170039 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.157 CC(C)Sc1cccc(c1)Br CSC009815759 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.157 CC(C)Sc1cccc(c1)Cl CSC000059006 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.509 CS(=O)(=O)Cc1ccccc1 CSC000034595 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [0,0,1,0,0,0|2,0,1]=4 35 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [0,0,0,0,1,0|2,0,0]=3 37 B9R1.13 CC(C)Sc1nnc[nH]1 CSC015424631 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [0,0,0,0,0,1|1,0,2]=4 39 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [0,0,0,0,0,1|1,0,2]=4 40 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,0,0,0,0,1|2,0,1]=4 41 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [0,0,0,0,0,1|0,0,0]=1 42 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [0,0,0,0,0,1|0,0,0]=1 43 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [0,0,0,0,0,1|1,0,0]=2 46 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [0,0,0,0,0,1|1,0,0]=2 47 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.91 NC(=O)CSc1ccccn1 CSC000149794 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [0,0,0,0,0,1|2,0,1]=4 50 B8R1.2 CSc1ncccn1 CSC000000289 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.1 CCNc1ncc(cn1)Cl CSC012056716 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.1 CCNc1ncc(cn1)F CSC012056714 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.1 CCSc1ncc(cn1)C CSC000048305 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.4 CCSc1ccccc1C CSC000053911 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.17 COCSc1ccccc1 CSC000000817 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.54 CC(C)Cc1nc(cs1)C CSC011217510 [0,1,0,0,1,0|1,0,0]=3 88 B10R1.54 CC(C)Cn1cc(cn1)Cl CSC015199453 [0,1,0,0,1,0|1,0,0]=3 89 B10R1.54 CC(C)Cn1cc(cn1)I CSC012073154 [0,1,0,0,1,0|1,0,0]=3 90 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.21 CC(C)NCc1ccc(cc1)C CSC000195779 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.21 CC(C)NCc1ccc(cc1)Cl CSC000195761 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.21 CC(C)NCc1ccc(cc1)F CSC000195765 [0,1,0,0,0,1|1,0,0]=3 94 B12R1.21 CC(O)CNc1ncc(cn1)Br CSC011938804 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.21 CC(O)CSc1ccc(cc1)Cl CSC011366763 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [0,1,0,0,0,1|1,0,1]=4 98 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,1,0,0,0,1|0,0,0]=2 99 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.27 CCC(N)CNc1ccccn1 CSC011915201 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.27 CNC(=O)NCc1ccccn1 CSC000233842 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.27 COC(=O)CSc1ccccn1 CSC000156013 [0,1,0,0,0,1|1,0,1]=4 105 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.43 CC(C)C(=O)Nc1ccccc1 CSC000153472 [0,1,0,0,0,1|1,0,1]=4 107 B12R1.43 CC(C)C(=O)Oc1ccccc1 CSC000001937 [0,1,0,0,0,1|1,0,1]=4 108 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [0,1,0,0,0,1|1,0,1]=4 109 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [0,1,0,0,0,1|1,0,1]=4 110 B12R1.107 CC(C)OC(=O)c1ccccn1 CSC000169883 [0,1,0,0,0,1|0,0,1]=3 111 B12R1.125 CC(C)CNc1ccccc1Br CSC011231685 [0,1,0,0,0,1|1,0,0]=3 112 B12R1.125 CC(C)COc1ccccc1Br CSC000173973 [0,1,0,0,0,1|1,0,0]=3 113 B12R1.125 CC(C)NCc1ccccc1Br CSC000195800 [0,1,0,0,0,1|1,0,0]=3 114 B12R1.125 CC(C)NCc1ccccc1C CSC000195778 [0,1,0,0,0,1|1,0,0]=3 115 B12R1.125 CC(C)NCc1ccccc1Cl CSC000195757 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.125 CC(O)CNc1ncncc1Br CSC012461044 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.891 CC(C)(N)CNc1ccccn1 CSC012186473 [0,1,0,0,0,1|0,0,0]=2 118 B12R1.891 FC(F)(F)CSc1ccccn1 CSC000044415 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.4 CC(C)Nc1ccc(cc1)C#N CSC011200357 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.4 CC(C)Nc1ccc(cn1)C#N CSC000738296 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.4 CC(C)Oc1ccc(cc1)C#N CSC000170013 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.4 COc1ccc(cc1)SC(C)C CSC000019069 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.19 CC(C)Oc1ccc(c(c1)C)Br CSC012344556 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br CSC012236954 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.19 CC(C)Oc1ccc(c(c1)F)Cl CSC013092442 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.19 CC(C)Oc1ccc(c(c1)F)F CSC000024518 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.49 CC(CO)Nc1ncc(cn1)Br CSC011938805 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.233 CC(C)Oc1ccc(cc1Br)Cl CSC009811875 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.233 CC(C)Oc1ccc(cc1Br)F CSC000171696 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.233 CC(C)Oc1ccc(cc1Cl)F CSC000005861 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.233 CC(C)Oc1ccc(cc1F)Br CSC009811877 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.253 CC(C)S(=O)(=O)c1ccccc1 CSC000031126 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.253 CN(C)S(=O)(=O)c1ccccn1 CSC010364837 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.32 CN(CCN)Cc1ccccn1 CSC011293285 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.32 CN(CCN)Cc1cnccn1 CSC011729100 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.32 CN(CCO)Cc1ccccn1 CSC011317074 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.32 CN(CCO)Cc1cnccn1 CSC011589787 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.118 CCN(CC)Cc1ccccn1 CSC011821371 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.371 CC(CO)Nc1ncncc1Br CSC012461045 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.75 COc1ccccc1SC(C)C CSC000055741 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.127 CC(C)Cn1cc(ccc1=O)Br CSC000205466 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.127 CC(C)Oc1cc(ccc1F)Br CSC012350295 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.127 CC(C)Oc1cc(ccc1F)Cl CSC010363734 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.127 CC(C)Sc1cc(ccc1C)C CSC000006291 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.224 CC(C)Cn1cccc(c1=O)Br CSC013733310 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.224 CC(C)Oc1cccc(c1F)Cl CSC010747299 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.101 CC(C)Nc1cc(cc(c1)Cl)Cl CSC000220459 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.101 CC(C)Oc1cc(cc(c1)Br)F CSC012344583 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.438 CC(C)Nc1cccc(c1)C#N CSC000221293 [0,2,0,0,0,0|2,0,0]=4 152 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [0,0,0,1,0,1|1,0,0]=3 153 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [0,0,0,1,0,1|1,0,0]=3 154 B12R2.294 Clc1cnc(nc1)NC2CC2 CSC012056717 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.32 CCN1Cc2ccccc2C1 CSC016200629 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.8 CCSc1cccs1 CSC009829625 [1,0,0,0,1,0|2,0,0]=4 158 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [0,0,0,0,0,2|1,0,1]=4 159 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [0,0,0,0,0,2|1,0,1]=4 160 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [0,0,0,0,0,2|1,0,0]=3 161 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [0,0,0,0,0,2|0,0,0]=2 162 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [0,0,0,0,0,2|2,0,0]=4 163 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [0,0,0,0,0,2|2,0,0]=4 164 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [0,0,0,0,0,2|1,0,0]=3