0 B10R1.113 NC(=O)c1cc(ccn1)Cl CSC000229564 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 NC(=O)c1cccc(c1)Br CSC000162208 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 NC(=O)c1cccc(c1)I CSC000162231 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.113 NC(=O)c1cccc(n1)F CSC011830463 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 NC(=O)c1cncc(c1)Br CSC000162242 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 NC(=O)c1cncc(c1)F CSC011996012 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.2 CNc1cccc(c1)Cl CSC000220044 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 CNc1cccc(c1)I CSC000221217 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.2 COc1cccc(c1)Br CSC000170001 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 COc1cccc(c1)Cl CSC000170018 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 COc1cccc(c1)I CSC000171673 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 CSc1cccc(c1)Br CSC011215954 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 CSc1cccc(c1)Cl CSC000033908 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 CSc1cccc(c1)F CSC000067534 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.21 Cc1cc(ccc1Br)C(=O)N CSC011218126 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.21 Cc1cc(ccc1F)C(=O)N CSC011217366 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.21 Cc1ccc(cc1Br)C(=O)N CSC000186401 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.21 Cc1ccc(cc1C)C(=O)N CSC000162321 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.21 Cc1ccc(cc1Cl)C(=O)N CSC011219532 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.21 Cc1ccc(cc1F)C(=O)N CSC000216902 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.21 Cc1ccc(cc1I)C(=O)N CSC000012956 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.21 NC(=O)c1ccc(c(c1)Br)Cl CSC012357840 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.21 NC(=O)c1ccc(c(c1)Br)F CSC011202321 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.21 NC(=O)c1ccc(c(c1)Cl)Br CSC012348002 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.21 NC(=O)c1ccc(c(c1)Cl)Cl CSC000162198 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.21 NC(=O)c1ccc(c(c1)Cl)F CSC011216305 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.21 NC(=O)c1ccc(c(c1)Cl)I CSC012348003 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.21 NC(=O)c1ccc(c(c1)F)Br CSC000686215 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.21 NC(=O)c1ccc(c(c1)F)Cl CSC011202322 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.21 NC(=O)c1ccc(c(c1)F)F CSC000194243 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.23 CNC(=O)c1cncc(c1)Br CSC000155086 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 CSC011935111 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.23 COC(=O)c1cccc(c1)Br CSC000148679 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.23 COC(=O)c1cccc(c1)Cl CSC000150768 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.23 COC(=O)c1cccc(c1)F CSC000148988 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.23 COC(=O)c1cccc(c1)I CSC000148848 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.23 COC(=O)c1cccc(c1)O CSC000150331 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.23 COC(=O)c1cccc(n1)F CSC000724373 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.23 COC(=O)c1ccnc(c1)F CSC011581676 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.23 COC(=O)c1ccnc(n1)C CSC000054160 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.23 COC(=O)c1cncc(c1)F CSC000698520 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.23 COC(=O)c1cncc(c1)O CSC000687108 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.23 Cc1nccc(n1)C(=O)NN CSC000053180 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.23 NNC(=O)c1cc(ccn1)Cl CSC000017052 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.23 NNC(=O)c1cccc(c1)Br CSC000189783 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.23 NNC(=O)c1cccc(c1)F CSC000189798 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.23 NNC(=O)c1cccc(c1)I CSC000186306 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.23 NNC(=O)c1cncc(c1)Br CSC000189809 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.74 Cc1cc(cc(c1)C(=O)N)C CSC000162256 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.74 Cc1cc(cc(c1)C(=O)N)F CSC011217717 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.74 NC(=O)c1cc(cc(c1)Br)Br CSC011216256 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.74 NC(=O)c1cc(cc(c1)Cl)Cl CSC000162247 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.74 NC(=O)c1cc(cc(c1)Cl)F CSC000080068 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.74 NC(=O)c1cc(cc(c1)F)F CSC000162007 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.155 CS(=O)(=O)c1cccc(c1)Br CSC009815773 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.155 CS(=O)(=O)c1cccc(c1)Cl CSC000059038 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.155 CS(=O)(=O)c1cccc(c1)F CSC012002675 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.155 NS(=O)(=O)c1cccc(c1)Br CSC000164563 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.159 Cc1c(cccc1C(=O)N)Br CSC012298201 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.159 Cc1c(cccc1C(=O)N)I CSC010003273 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.159 Cc1cccc(c1Br)C(=O)N CSC012356287 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.159 Cc1cccc(c1C)C(=O)N CSC000162285 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.159 Cn1cccc(c1=O)[N+](=O)[O-] CSC000059228 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.159 NC(=O)c1cccc(c1Cl)Cl CSC000162245 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.159 NC(=O)c1cccc(c1Cl)F CSC011219509 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.159 NC(=O)c1cccc(c1F)Cl CSC011217061 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.159 NC(=O)c1cccc(c1F)F CSC011202323 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.167 Cc1ccc(c(c1)C(=O)N)C CSC000162255 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.167 Cc1ccc(c(c1)C(=O)N)F CSC011692772 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.167 Cc1ccc(c(c1)C(=O)N)O CSC000192840 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.167 Cc1ccc(cc1C(=O)N)F CSC000242012 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.167 NC(=O)c1cc(ccc1Br)Br CSC012339728 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.167 NC(=O)c1cc(ccc1Br)Cl CSC011227832 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.167 NC(=O)c1cc(ccc1Br)F CSC000206434 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.167 NC(=O)c1cc(ccc1Br)I CSC012352765 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.167 NC(=O)c1cc(ccc1Cl)Br CSC000162282 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.167 NC(=O)c1cc(ccc1Cl)Cl CSC000162246 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.167 NC(=O)c1cc(ccc1Cl)F CSC000034536 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.167 NC(=O)c1cc(ccc1Cl)I CSC009997440 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.167 NC(=O)c1cc(ccc1F)Br CSC000162119 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.167 NC(=O)c1cc(ccc1F)Cl CSC000216908 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.167 NC(=O)c1cc(ccc1I)Br CSC000162314 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.167 NC(=O)c1cc(ccc1I)Cl CSC000239382 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.167 NC(=O)c1cc(ccc1I)I CSC000060115 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CSC000006736 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.266 CSc1cccc(c1)[N+](=O)[O-] CSC000061305 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.35 Cc1csc(c1)C(=O)N CSC000068353 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.35 NC(=O)c1cc(c[nH]1)Br CSC000229580 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.35 NC(=O)c1cc(cs1)Br CSC009812991 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.35 NC(=O)c1ccc(o1)Br CSC000162236 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.35 NC(=O)c1ccc(s1)Cl CSC000162217 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.41 Cc1ccsc1C(=O)N CSC000162183 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.41 Cc1sccc1C(=O)N CSC000068317 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.41 NC(=O)c1sccc1Br CSC000239328 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.41 NC(=O)c1sccc1Cl CSC011995880 [0,0,0,0,1,0|3,0,0]=4 109 B11R1.157 CC(=O)Nc1cc(ccn1)Br CSC012362434 [0,0,0,0,0,1|2,0,0]=3 110 B11R1.157 CC(=O)Nc1cc(ccn1)C CSC000016760 [0,0,0,0,0,1|1,0,0]=2 111 B11R1.157 CC(=O)Nc1cc(ccn1)Cl CSC011996789 [0,0,0,0,0,1|2,0,0]=3 112 B11R1.157 CC(=O)Nc1cccc(c1)Br CSC000153616 [0,0,0,0,0,1|1,0,0]=2 113 B11R1.157 CC(=O)Nc1cccc(c1)C CSC000153650 [0,0,0,0,0,1|0,0,0]=1 114 B11R1.157 CC(=O)Nc1cccc(c1)F CSC000153968 [0,0,0,0,0,1|1,0,0]=2 115 B11R1.157 CC(=O)Nc1cccc(n1)F CSC012002399 [0,0,0,0,0,1|2,0,0]=3 116 B11R1.157 CC(=O)Nc1ccnc(c1)C CSC000199137 [0,0,0,0,0,1|1,0,0]=2 117 B11R1.157 CC(=O)Oc1cccc(c1)Br CSC009811612 [0,0,0,0,0,1|1,0,0]=2 118 B11R1.157 CC(=O)Oc1cccc(c1)C CSC000001900 [0,0,0,0,0,1|0,0,0]=1 119 B11R1.157 CC(=O)Oc1cccc(c1)Cl CSC000001977 [0,0,0,0,0,1|1,0,0]=2 120 B11R1.157 CC(=O)Oc1cccc(c1)F CSC000002014 [0,0,0,0,0,1|1,0,0]=2 121 B11R1.157 CC(C)Oc1cccc(c1)F CSC000170039 [0,0,0,0,0,1|2,0,1]=4 122 B11R1.157 CC(C)Sc1cccc(c1)Br CSC009815759 [0,0,0,0,0,1|2,0,1]=4 123 B11R1.157 CC(C)Sc1cccc(c1)Cl CSC000059006 [0,0,0,0,0,1|2,0,1]=4 124 B11R1.157 Cc1cccc(c1)NC(=O)N CSC000181699 [0,0,0,0,0,1|1,0,0]=2 125 B11R1.157 NC(=O)Cc1cccc(c1)Br CSC011586816 [0,0,0,0,0,1|2,0,0]=3 126 B11R1.157 NC(=O)Cc1cccc(c1)Cl CSC011690632 [0,0,0,0,0,1|2,0,0]=3 127 B11R1.157 NC(=O)Cc1cccc(c1)F CSC000162360 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.157 NC(=O)Cc1cccc(c1)N CSC011690101 [0,0,0,0,0,1|2,0,0]=3 129 B11R1.157 NC(=O)Nc1cccc(c1)Br CSC000238923 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.2 CNc1cccc(c1C)Cl CSC000220383 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.2 CNc1cccc(c1F)F CSC011410080 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.2 COc1cccc(c1Br)C CSC010191535 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.2 COc1cccc(c1C)Cl CSC000038763 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.2 COc1cccc(c1Cl)Cl CSC000005874 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.2 COc1cccc(c1F)C CSC012000584 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.2 COc1cccc(c1F)Cl CSC000035491 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.2 COc1cccc(c1F)F CSC000034306 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.2 COc1cccc(c1I)F CSC000041735 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.8 CNc1cc(cc(c1)F)F CSC011233154 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.8 COc1cc(cc(c1)Br)Cl CSC010232472 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.8 COc1cc(cc(c1)Br)F CSC011934182 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.8 COc1cc(cc(c1)Cl)Cl CSC000006878 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.8 COc1cc(cc(c1)Cl)F CSC000035575 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.8 COc1cc(cc(c1)F)F CSC000763127 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|0,0,1]=3 148 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.30 COc1cc(ccc1Br)C CSC010200004 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.30 COc1cc(ccc1Br)Cl CSC009814061 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.30 COc1cc(ccc1C)Br CSC011830276 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.30 COc1cc(ccc1C)Cl CSC011219340 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.30 COc1cc(ccc1C)F CSC011219959 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.30 COc1cc(ccc1Cl)Br CSC000742348 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.30 COc1cc(ccc1Cl)C CSC000170852 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.30 COc1cc(ccc1Cl)Cl CSC000170754 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.30 COc1cc(ccc1F)Br CSC011934186 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.30 COc1cc(ccc1F)C CSC011217910 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.30 COc1cc(ccc1F)F CSC011214905 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.30 CSc1cc(ccc1C)C CSC000001074 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.30 CSc1cc(ccc1Cl)Cl CSC000001111 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.172 COc1cccc(c1)SC CSC000044647 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.176 CNc1ccc(c(c1)Cl)C CSC000220120 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.176 CNc1ccc(c(c1)Cl)Cl CSC000219944 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.176 CNc1ccc(c(c1)F)Br CSC012285320 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.176 CSc1ccc(c(c1)C)C CSC000001060 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.176 CSc1ccc(c(c1)Cl)Cl CSC000116842 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.176 CSc1ccc(c(c1)Cl)F CSC000021471 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.13 NC(=O)c1ccc(cc1)Cl CSC000162172 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.13 NC(=O)c1ccc(cc1)I CSC000162191 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.13 NC(=O)c1ccc(cn1)Br CSC011219284 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.13 NC(=O)c1ccc(cn1)Cl CSC011834066 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.13 NC(=O)c1ccc(cn1)F CSC012180490 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.28 CS(=O)(=O)c1ccccc1 CSC000685546 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.61 NC(=O)c1ccncc1F CSC000698873 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.14 CNC(=O)c1cc(on1)C CSC000159738 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.14 CNC(=O)c1ccc(s1)Br CSC000155069 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.14 CNC(=O)c1coc(n1)C CSC000144003 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.14 COC(=O)c1cc(c[nH]1)Br CSC000205823 [0,1,0,0,1,0|2,0,0]=4 210 B10R1.14 COC(=O)c1cc(c[nH]1)F CSC000100949 [0,1,0,0,1,0|2,0,0]=4 211 B10R1.14 COC(=O)c1cc(co1)Br CSC009992624 [0,1,0,0,1,0|2,0,0]=4 212 B10R1.14 COC(=O)c1cc(cs1)Br CSC009815473 [0,1,0,0,1,0|2,0,0]=4 213 B10R1.14 COC(=O)c1cc(cs1)C CSC000040733 [0,1,0,0,1,0|1,0,0]=3 214 B10R1.14 COC(=O)c1cc(no1)C CSC000204421 [0,1,0,0,1,0|2,0,0]=4 215 B10R1.14 COC(=O)c1ccc(o1)C CSC000151062 [0,1,0,0,1,0|1,0,0]=3 216 B10R1.14 COC(=O)c1ccc(o1)Cl CSC000191419 [0,1,0,0,1,0|2,0,0]=4 217 B10R1.14 COC(=O)c1ccc(s1)Br CSC000148107 [0,1,0,0,1,0|2,0,0]=4 218 B10R1.14 COC(=O)c1ccc(s1)C CSC000150765 [0,1,0,0,1,0|1,0,0]=3 219 B10R1.14 COC(=O)c1ccc(s1)Cl CSC000148076 [0,1,0,0,1,0|2,0,0]=4 220 B10R1.14 COC(=O)c1ccn(n1)C CSC000698609 [0,1,0,0,1,0|2,0,0]=4 221 B10R1.14 COC(=O)c1cn(cn1)C CSC000752664 [0,1,0,0,1,0|2,0,0]=4 222 B10R1.14 COC(=O)c1coc(c1)C CSC012017277 [0,1,0,0,1,0|1,0,0]=3 223 B10R1.14 COC(=O)c1coc(n1)C CSC000067300 [0,1,0,0,1,0|2,0,0]=4 224 B10R1.14 COC(=O)c1csc(c1)Br CSC000692058 [0,1,0,0,1,0|2,0,0]=4 225 B10R1.14 COC(=O)c1nc(cs1)C CSC000087785 [0,1,0,0,1,0|2,0,0]=4 226 B10R1.14 Cc1ccc(o1)C(=O)NN CSC000189940 [0,1,0,0,1,0|2,0,0]=4 227 B10R1.14 Cc1ccc(s1)C(=O)NN CSC000189777 [0,1,0,0,1,0|2,0,0]=4 228 B10R1.59 CC(=O)c1nc(sc1C)C CSC000008397 [0,1,0,0,1,0|2,0,0]=4 229 B10R1.194 Cc1csc(c1Cl)C(=O)N CSC011996362 [0,1,0,0,1,0|2,0,0]=4 230 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [0,1,0,0,1,0|2,0,0]=4 231 B10R1.149 COC(=O)c1ccoc1Br CSC011935261 [0,1,0,0,1,0|2,0,0]=4 232 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [0,1,0,0,1,0|1,0,0]=3 233 B10R1.149 COC(=O)c1ccsc1Br CSC009822520 [0,1,0,0,1,0|2,0,0]=4 234 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [0,1,0,0,1,0|1,0,0]=3 235 B10R1.149 COC(=O)c1cn[nH]c1C CSC011998119 [0,1,0,0,1,0|2,0,0]=4 236 B10R1.149 COC(=O)c1cocc1C CSC009857685 [0,1,0,0,1,0|1,0,0]=3 237 B10R1.149 COC(=O)c1cscc1Br CSC012351140 [0,1,0,0,1,0|2,0,0]=4 238 B10R1.149 COC(=O)c1csnc1C CSC000106640 [0,1,0,0,1,0|2,0,0]=4 239 B10R1.149 COC(=O)c1ncoc1C CSC000063398 [0,1,0,0,1,0|2,0,0]=4 240 B10R1.149 COC(=O)c1oncc1C CSC012003539 [0,1,0,0,1,0|2,0,0]=4 241 B10R1.149 COC(=O)c1sccc1Br CSC011218980 [0,1,0,0,1,0|2,0,0]=4 242 B10R1.149 COC(=O)c1sccc1C CSC000150764 [0,1,0,0,1,0|1,0,0]=3 243 B10R1.149 COC(=O)c1scnc1C CSC011302605 [0,1,0,0,1,0|2,0,0]=4 244 B10R1.149 Cc1ccoc1C(=O)NN CSC000217430 [0,1,0,0,1,0|2,0,0]=4 245 B10R1.149 Cc1ccsc1C(=O)NN CSC000189776 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.19 CC(=O)Nc1cc(c(cn1)Br)C CSC011934553 [0,1,0,0,0,1|1,0,0]=3 247 B12R1.19 CC(=O)Nc1cc(c(cn1)I)C CSC010130682 [0,1,0,0,0,1|1,0,0]=3 248 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F CSC012348134 [0,1,0,0,0,1|1,0,0]=3 249 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C CSC000153705 [0,1,0,0,0,1|0,0,0]=2 250 B12R1.19 CC(=O)Nc1ccc(c(c1)C)N CSC011203061 [0,1,0,0,0,1|0,0,0]=2 251 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O CSC012186693 [0,1,0,0,0,1|0,0,0]=2 252 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br CSC000187747 [0,1,0,0,0,1|1,0,0]=3 253 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F CSC000155749 [0,1,0,0,0,1|1,0,0]=3 254 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O CSC011215158 [0,1,0,0,0,1|1,0,0]=3 255 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br CSC011219590 [0,1,0,0,0,1|1,0,0]=3 256 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F CSC000155707 [0,1,0,0,0,1|1,0,0]=3 257 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C CSC000154840 [0,1,0,0,0,1|1,0,0]=3 258 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C CSC012148147 [0,1,0,0,0,1|1,0,0]=3 259 B12R1.19 CC(=O)Nc1ccc(c(n1)C)Br CSC000187074 [0,1,0,0,0,1|1,0,0]=3 260 B12R1.19 CC(=O)Oc1ccc(c(c1)C)C CSC000002428 [0,1,0,0,0,1|0,0,0]=2 261 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)Cl CSC000002395 [0,1,0,0,0,1|1,0,0]=3 262 B12R1.19 CC(=O)Oc1ccc(c(c1)F)Cl CSC010725880 [0,1,0,0,0,1|1,0,0]=3 263 B12R1.19 CC(C)Oc1ccc(c(c1)C)Br CSC012344556 [0,1,0,0,0,1|1,0,1]=4 264 B12R1.19 Cc1ccc(cc1C)CC(=O)N CSC000162019 [0,1,0,0,0,1|1,0,0]=3 265 B12R1.19 Cc1ccc(cc1Cl)NC(=O)N CSC000222810 [0,1,0,0,0,1|2,0,0]=4 266 B12R1.19 Cc1ccc(cc1F)NC(=O)N CSC000238967 [0,1,0,0,0,1|2,0,0]=4 267 B12R1.19 NC(=O)Nc1ccc(c(c1)Cl)Cl CSC000222805 [0,1,0,0,0,1|2,0,0]=4 268 B12R1.19 NC(=O)Nc1ccc(c(c1)Cl)F CSC000238935 [0,1,0,0,0,1|2,0,0]=4 269 B12R1.19 NC(=O)Nc1ccc(c(c1)F)Cl CSC000717728 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.19 NC(=O)Nc1ccc(c(c1)F)F CSC000239066 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.50 CCC(=O)Nc1cccc(c1)Br CSC000153628 [0,1,0,0,0,1|1,0,0]=3 272 B12R1.50 CCC(=O)Nc1cccc(c1)C CSC000153655 [0,1,0,0,0,1|0,0,0]=2 273 B12R1.50 CCC(=O)Nc1cccc(c1)Cl CSC000153961 [0,1,0,0,0,1|1,0,0]=3 274 B12R1.50 CCC(=O)Nc1cccc(c1)F CSC000153973 [0,1,0,0,0,1|1,0,0]=3 275 B12R1.50 CCC(=O)Nc1cccc(c1)O CSC000158609 [0,1,0,0,0,1|1,0,0]=3 276 B12R1.50 CNC(=O)Cc1cccc(c1)Br CSC011714096 [0,1,0,0,0,1|1,0,0]=3 277 B12R1.50 CNC(=O)Cc1cccc(c1)Cl CSC011795159 [0,1,0,0,0,1|1,0,0]=3 278 B12R1.50 CNC(=O)Cc1cccc(c1)F CSC000159957 [0,1,0,0,0,1|1,0,0]=3 279 B12R1.50 CNC(=O)Nc1cccc(c1)Br CSC000235173 [0,1,0,0,0,1|1,0,0]=3 280 B12R1.50 CNC(=O)Nc1cccc(c1)C CSC000178579 [0,1,0,0,0,1|0,0,0]=2 281 B12R1.50 CNC(=O)Nc1cccc(c1)Cl CSC000178564 [0,1,0,0,0,1|1,0,0]=3 282 B12R1.50 CNC(=O)Nc1cccc(c1)F CSC000235183 [0,1,0,0,0,1|1,0,0]=3 283 B12R1.50 COC(=O)Cc1cccc(c1)Br CSC000699549 [0,1,0,0,0,1|1,0,0]=3 284 B12R1.50 COC(=O)Cc1cccc(c1)C CSC011661688 [0,1,0,0,0,1|0,0,0]=2 285 B12R1.50 COC(=O)Cc1cccc(c1)Cl CSC011690634 [0,1,0,0,0,1|1,0,0]=3 286 B12R1.50 COC(=O)Cc1cccc(c1)F CSC000151121 [0,1,0,0,0,1|1,0,0]=3 287 B12R1.50 Cc1cccc(c1)NC(=O)CN CSC000168384 [0,1,0,0,0,1|0,0,0]=2 288 B12R1.50 Cc1cccc(c1)NC(=O)CO CSC000749660 [0,1,0,0,0,1|0,0,0]=2 289 B12R1.50 NCC(=O)Nc1cccc(c1)Br CSC000168392 [0,1,0,0,0,1|1,0,0]=3 290 B12R1.50 NCC(=O)Nc1cccc(c1)Cl CSC000168427 [0,1,0,0,0,1|1,0,0]=3 291 B12R1.50 NCC(=O)Nc1cccc(c1)F CSC000168492 [0,1,0,0,0,1|1,0,0]=3 292 B12R1.50 NNC(=O)Cc1cccc(c1)Cl CSC011203430 [0,1,0,0,0,1|2,0,0]=4 293 B12R1.50 NNC(=O)Cc1cccc(c1)F CSC000189928 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.50 NNC(=O)Nc1cccc(c1)Cl CSC000752571 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C CSC000155763 [0,1,0,0,0,1|0,0,0]=2 296 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl CSC000154935 [0,1,0,0,0,1|1,0,0]=3 297 B12R1.101 CC(=O)Nc1cc(cc(c1)F)F CSC000234079 [0,1,0,0,0,1|1,0,0]=3 298 B12R1.101 CC(=O)Nc1nc(cc(n1)C)C CSC000011661 [0,1,0,0,0,1|2,0,0]=4 299 B12R1.101 CC(=O)Oc1cc(cc(c1)C)C CSC000002434 [0,1,0,0,0,1|0,0,0]=2 300 B12R1.101 Cc1cc(cc(c1)NC(=O)N)C CSC000239040 [0,1,0,0,0,1|1,0,0]=3 301 B12R1.101 NC(=O)Nc1cc(cc(c1)Cl)Cl CSC000238990 [0,1,0,0,0,1|2,0,0]=4 302 B12R1.119 CS(=O)(=O)Cc1cccc(c1)Br CSC009814643 [0,1,0,0,0,1|2,0,0]=4 303 B12R1.119 CS(=O)(=O)Cc1cccc(c1)F CSC000047429 [0,1,0,0,0,1|2,0,0]=4 304 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Br CSC000165606 [0,1,0,0,0,1|2,0,0]=4 305 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Br CSC000165606 [0,1,0,0,0,1|2,0,0]=4 306 B12R1.119 CS(=O)(=O)Nc1cccc(c1)Cl CSC000165652 [0,1,0,0,0,1|2,0,0]=4 307 B12R1.119 CS(=O)(=O)Nc1cccc(c1)F CSC000165654 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.119 Cc1cccc(c1)NS(=O)(=O)C CSC000165610 [0,1,0,0,0,1|1,0,0]=3 309 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br CSC011252870 [0,1,0,0,0,1|1,0,0]=3 310 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl CSC012362533 [0,1,0,0,0,1|1,0,0]=3 311 B12R1.127 CC(=O)Nc1cc(ccc1C)Br CSC011344836 [0,1,0,0,0,1|1,0,0]=3 312 B12R1.127 CC(=O)Nc1cc(ccc1C)C CSC000152684 [0,1,0,0,0,1|0,0,0]=2 313 B12R1.127 CC(=O)Nc1cc(ccc1C)F CSC000155779 [0,1,0,0,0,1|1,0,0]=3 314 B12R1.127 CC(=O)Nc1cc(ccc1C)N CSC000740626 [0,1,0,0,0,1|1,0,0]=3 315 B12R1.127 CC(=O)Nc1cc(ccc1F)Br CSC011951791 [0,1,0,0,0,1|1,0,0]=3 316 B12R1.127 CC(=O)Nc1cc(ccc1F)F CSC000155522 [0,1,0,0,0,1|1,0,0]=3 317 B12R1.127 CC(=O)Nc1cc(ccc1O)Br CSC010005742 [0,1,0,0,0,1|1,0,0]=3 318 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [0,1,0,0,0,1|0,0,0]=2 319 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl CSC000012038 [0,1,0,0,0,1|1,0,0]=3 320 B12R1.127 CC(=O)Oc1cc(ccc1C)C CSC000002421 [0,1,0,0,0,1|0,0,0]=2 321 B12R1.127 CC(C)Sc1cc(ccc1C)C CSC000006291 [0,1,0,0,0,1|1,0,1]=4 322 B12R1.127 Cc1ccc(c(c1)CC(=O)N)C CSC011694954 [0,1,0,0,0,1|1,0,0]=3 323 B12R1.127 Cc1ccc(cc1NC(=O)N)Cl CSC000238962 [0,1,0,0,0,1|2,0,0]=4 324 B12R1.127 NC(=O)Nc1cc(ccc1Cl)Cl CSC011208874 [0,1,0,0,0,1|2,0,0]=4 325 B12R1.127 NC(=O)Nc1cc(ccc1F)F CSC011208891 [0,1,0,0,0,1|2,0,0]=4 326 B12R1.224 CC(=O)Nc1cccc(c1C)Br CSC011775766 [0,1,0,0,0,1|1,0,0]=3 327 B12R1.224 CC(=O)Nc1cccc(c1C)C CSC000153689 [0,1,0,0,0,1|0,0,0]=2 328 B12R1.224 CC(=O)Nc1cccc(c1C)N CSC000736503 [0,1,0,0,0,1|1,0,0]=3 329 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl CSC000155691 [0,1,0,0,0,1|1,0,0]=3 330 B12R1.224 CC(=O)Nc1cccc(c1F)Cl CSC000152519 [0,1,0,0,0,1|1,0,0]=3 331 B12R1.224 CC(=O)Nc1cccc(c1O)Cl CSC000117800 [0,1,0,0,0,1|1,0,0]=3 332 B12R1.224 Cc1c(cccc1NC(=O)N)Cl CSC000238989 [0,1,0,0,0,1|2,0,0]=4 333 B12R1.224 NC(=O)Nc1cccc(c1Cl)Cl CSC011238596 [0,1,0,0,0,1|2,0,0]=4 334 B12R1.438 CC(=O)Nc1cccc(c1)C#N CSC000152054 [0,1,0,0,0,1|0,0,1]=3 335 B12R1.438 CC(=O)Oc1cccc(c1)C#N CSC000001303 [0,1,0,0,0,1|0,0,1]=3 336 B12R1.438 CCc1cccc(c1)NC(=O)N CSC000239041 [0,1,0,0,0,1|1,0,0]=3 337 B12R1.438 COc1cccc(c1)CC(=O)N CSC000162345 [0,1,0,0,0,1|1,0,0]=3 338 B12R1.438 COc1cccc(c1)NC(=O)N CSC000238924 [0,1,0,0,0,1|1,0,0]=3 339 B12R1.438 COc1cccc(c1)OC(=O)C CSC000001337 [0,1,0,0,0,1|0,0,0]=2 340 B12R1.438 CSc1cccc(c1)NC(=O)C CSC000153993 [0,1,0,0,0,1|0,0,0]=2 341 B12R1.438 CSc1cccc(c1)NC(=O)N CSC000238926 [0,1,0,0,0,1|1,0,0]=3 342 B12R1.23 CS(=O)(=O)c1ccc(c(c1)Cl)Cl CSC000010133 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.23 CS(=O)(=O)c1ccc(c(c1)Cl)F CSC000048130 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.23 Cc1ccc(cc1C)S(=O)(=O)C CSC000048137 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.48 COc1ccc(cc1Br)C(=O)N CSC000206422 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.48 COc1ccc(cc1C)C(=O)C CSC000693588 [0,2,0,0,0,0|0,0,0]=2 347 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] CSC000068493 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.48 COc1ccc(cc1I)C(=O)N CSC010363828 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] CSC011708256 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] CSC011218782 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] CSC000038251 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] CSC011217944 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.232 NC(=O)c1cc(c(cc1Cl)Cl)F CSC000223270 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.232 NC(=O)c1cc(c(cc1F)F)F CSC000036233 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F CSC012359898 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.367 CNC(=O)c1ccc(c(c1)C)C CSC000159929 [0,2,0,0,0,0|0,0,0]=2 357 B12R1.367 CNC(=O)c1ccc(c(c1)C)N CSC000739472 [0,2,0,0,0,0|0,0,0]=2 358 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl CSC000159832 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.367 CNC(=O)c1ccc(c(c1)F)F CSC000194207 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.367 CNC(=O)c1ccc(c(c1)N)C CSC000737617 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.367 COC(=O)c1ccc(=O)n(c1)C CSC000054066 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.367 COC(=O)c1ccc(=O)n(n1)C CSC011315517 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.367 COC(=O)c1ccc(c(c1)Br)Cl CSC012356255 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.367 COC(=O)c1ccc(c(c1)Br)F CSC000722584 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.367 COC(=O)c1ccc(c(c1)Br)I CSC011294788 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.367 COC(=O)c1ccc(c(c1)C)Br CSC011215878 [0,2,0,0,0,0|0,0,0]=2 367 B12R1.367 COC(=O)c1ccc(c(c1)C)C CSC000149473 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.367 COC(=O)c1ccc(c(c1)C)Cl CSC011217186 [0,2,0,0,0,0|0,0,0]=2 369 B12R1.367 COC(=O)c1ccc(c(c1)C)F CSC000698631 [0,2,0,0,0,0|0,0,0]=2 370 B12R1.367 COC(=O)c1ccc(c(c1)C)O CSC011997373 [0,2,0,0,0,0|0,0,0]=2 371 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Br CSC012359697 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.367 COC(=O)c1ccc(c(c1)Cl)C CSC011219533 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.367 COC(=O)c1ccc(c(c1)Cl)F CSC011997363 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.367 COC(=O)c1ccc(c(c1)Cl)I CSC012356344 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N CSC000704683 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.367 COC(=O)c1ccc(c(c1)F)Br CSC000703229 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.367 COC(=O)c1ccc(c(c1)F)C CSC000216653 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.367 COC(=O)c1ccc(c(c1)F)Cl CSC011216032 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.367 COC(=O)c1ccc(c(c1)F)F CSC000194019 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.367 COC(=O)c1ccc(c(c1)F)I CSC000062896 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.367 COC(=O)c1ccc(c(c1)I)C CSC011218856 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl CSC011294800 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.367 COC(=O)c1ccc(c(c1)I)F CSC012361652 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CSC011450966 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.367 COC(=O)c1ccc(c(c1)N)I CSC011290891 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.367 COC(=O)c1ccc(c(c1)O)Br CSC011934688 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.367 COC(=O)c1ccc(c(c1)O)C CSC000736511 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.367 COC(=O)c1ccn(c(=O)c1)C CSC011315524 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.367 Cc1ccc(cc1Br)C(=O)NN CSC000188075 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.367 Cc1ccc(cc1C)C(=O)NN CSC000189846 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.367 Cc1ccc(cc1Cl)C(=O)NN CSC011823865 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.367 NNC(=O)c1ccc(c(c1)Br)Cl CSC011219835 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.367 NNC(=O)c1ccc(c(c1)Cl)Br CSC011217245 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.367 NNC(=O)c1ccc(c(c1)Cl)Cl CSC000187931 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.367 NNC(=O)c1ccc(c(c1)F)F CSC000194116 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.893 NC(=O)c1ccc(c(c1F)Cl)F CSC000081360 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.893 NC(=O)c1ccc(c(c1F)F)F CSC011216183 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)N CSC000084231 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.1005 NC(=O)c1cc(c(c(c1)Br)O)Br CSC009813171 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.1005 NC(=O)c1cc(c(c(c1)F)F)F CSC011219797 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.10 CCS(=O)(=O)c1cccc(c1)Br CSC009815775 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br CSC000165148 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.17 CCNC(=O)c1cc(ccn1)Cl CSC000194128 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.17 CCNC(=O)c1cccc(c1)Br CSC000155180 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.17 CCNC(=O)c1cccc(c1)C CSC000160206 [0,2,0,0,0,0|0,0,0]=2 406 B12R1.17 CCNC(=O)c1cccc(c1)Cl CSC000160110 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.17 CCNC(=O)c1cccc(c1)F CSC000160200 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.17 CCNC(=O)c1cccc(c1)I CSC000155182 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.17 CCNC(=O)c1cccc(c1)N CSC000181407 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.17 CCOC(=O)c1cccc(c1)Br CSC000170152 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.17 CCOC(=O)c1cccc(c1)C CSC000170498 [0,2,0,0,0,0|0,0,0]=2 412 B12R1.17 CCOC(=O)c1cccc(c1)Cl CSC000170058 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.17 CCOC(=O)c1cccc(c1)F CSC000170323 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.17 CCOC(=O)c1cccc(c1)I CSC000170211 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.17 CCOC(=O)c1cccc(c1)O CSC000169910 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.17 CCOC(=O)c1ccnc(c1)C CSC011935281 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.17 CCOC(=O)c1cncc(c1)Br CSC000170250 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.17 CCOC(=O)c1cncc(c1)F CSC012017147 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.17 CCOC(=O)c1cncc(c1)O CSC000185702 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.24 COC(=O)c1cccc(=O)n1C CSC000730068 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.24 COC(=O)c1cccc(c1Br)C CSC012339457 [0,2,0,0,0,0|0,0,0]=2 422 B12R1.24 COC(=O)c1cccc(c1Br)F CSC012357630 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.24 COC(=O)c1cccc(c1C)Br CSC012298220 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.24 COC(=O)c1cccc(c1C)C CSC000149159 [0,2,0,0,0,0|0,0,0]=2 425 B12R1.24 COC(=O)c1cccc(c1C)I CSC010168159 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.24 COC(=O)c1cccc(c1C)O CSC011999632 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.24 COC(=O)c1cccc(c1Cl)Br CSC012349815 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.24 COC(=O)c1cccc(c1Cl)C CSC012002529 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.24 COC(=O)c1cccc(c1Cl)Cl CSC000148926 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.24 COC(=O)c1cccc(c1F)Br CSC012355674 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.24 COC(=O)c1cccc(c1F)C CSC012001762 [0,2,0,0,0,0|0,0,0]=2 432 B12R1.24 COC(=O)c1cccc(c1F)Cl CSC011997369 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.24 COC(=O)c1cccc(c1F)F CSC011220063 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.24 COC(=O)c1cccc(c1I)C CSC011294812 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.24 COC(=O)c1cccc(c1I)F CSC010151095 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.24 COC(=O)c1cccc(c1N)Br CSC011356556 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.24 COC(=O)c1cccc(c1N)Cl CSC011356568 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.24 COC(=O)c1cccc(c1N)F CSC000707970 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.24 COC(=O)c1cccc(c1N)I CSC000055437 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.24 COC(=O)c1cccc(c1O)Br CSC009816214 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.24 COC(=O)c1cccc(c1O)C CSC000149854 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.24 COC(=O)c1ccnc(c1F)F CSC012662669 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.24 Cc1cccc(c1C)C(=O)NN CSC000189804 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.24 Cc1cccc(c1O)C(=O)NN CSC000193353 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.24 NNC(=O)c1cccc(c1Cl)Cl CSC000189813 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.354 CNC(=O)c1cc(ccc1C)C CSC000159876 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br CSC000155089 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.354 CNC(=O)c1cc(ccc1F)F CSC000194209 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.354 CNC(=O)c1cc(ccc1I)Cl CSC011279454 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.354 COC(=O)c1cc(ccc1Br)Br CSC011218029 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.354 COC(=O)c1cc(ccc1Br)C CSC012339458 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.354 COC(=O)c1cc(ccc1Br)Cl CSC011228367 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.354 COC(=O)c1cc(ccc1Br)F CSC000205820 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.354 COC(=O)c1cc(ccc1Br)I CSC012340073 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.354 COC(=O)c1cc(ccc1C)Br CSC000703529 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [0,2,0,0,0,0|0,0,0]=2 457 B12R1.354 COC(=O)c1cc(ccc1C)Cl CSC012000380 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.354 COC(=O)c1cc(ccc1C)I CSC012360116 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.354 COC(=O)c1cc(ccc1Cl)Br CSC000149116 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl CSC000148927 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.354 COC(=O)c1cc(ccc1Cl)F CSC011997379 [0,2,0,0,0,0|1,0,0]=3 462 B12R1.354 COC(=O)c1cc(ccc1Cl)I CSC012353682 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.354 COC(=O)c1cc(ccc1Cl)O CSC012001761 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.354 COC(=O)c1cc(ccc1F)C CSC000703722 [0,2,0,0,0,0|0,0,0]=2 465 B12R1.354 COC(=O)c1cc(ccc1F)F CSC000194029 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.354 COC(=O)c1cc(ccc1F)I CSC012350775 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.354 COC(=O)c1cc(ccc1I)Br CSC000148213 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.354 COC(=O)c1cc(ccc1I)F CSC000058944 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.354 COC(=O)c1cc(ccc1N)C CSC000216452 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.354 COC(=O)c1cc(ccc1N)Cl CSC000172362 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.354 COC(=O)c1cc(ccc1N)F CSC000173281 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.354 COC(=O)c1cc(ccc1O)F CSC011219540 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.354 COC(=O)c1cc(ccc1O)I CSC000149868 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.354 COC(=O)c1cc(ccc1O)O CSC011203519 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.354 COC(=O)c1cc(cnc1F)Br CSC010243567 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.354 Cc1ccc(c(c1)C(=O)NN)C CSC000189821 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.354 Cc1ccc(c(c1)C(=O)NN)O CSC000193374 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.354 NNC(=O)c1cc(ccc1Br)F CSC000205862 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.354 NNC(=O)c1cc(ccc1Cl)Br CSC000189792 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.354 NNC(=O)c1cc(ccc1F)F CSC000194117 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.354 NNC(=O)c1cc(ccc1O)Br CSC000193350 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl CSC000159869 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.358 CNC(=O)c1cc(cc(c1)F)F CSC000159711 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br CSC011216377 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.358 COC(=O)c1cc(cc(c1)Br)C CSC012359405 [0,2,0,0,0,0|0,0,0]=2 487 B12R1.358 COC(=O)c1cc(cc(c1)Br)Cl CSC012353713 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.358 COC(=O)c1cc(cc(c1)Br)N CSC011794265 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.358 COC(=O)c1cc(cc(c1)Br)O CSC000696291 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.358 COC(=O)c1cc(cc(c1)Cl)F CSC011997378 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.358 COC(=O)c1cc(cc(c1)F)F CSC000151266 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.358 COC(=O)c1cc(cc(c1)I)N CSC000693439 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.358 COC(=O)c1cc(cc(c1)O)O CSC000211728 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.358 COC(=O)c1cc(nc(c1)O)C CSC015345939 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.358 Cc1cc(cc(c1)C(=O)NN)C CSC000189822 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.358 NNC(=O)c1cc(cc(c1)Cl)Cl CSC000189815 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.358 NNC(=O)c1cc(cc(c1)F)F CSC000189945 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.435 CCc1cccc(n1)C(=O)OC CSC009857250 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.435 CNC(=O)c1cccc(c1)OC CSC000159855 [0,2,0,0,0,0|0,0,0]=2 500 B12R1.435 COC(=O)c1cc(ccn1)OC CSC000066548 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.435 COC(=O)c1cccc(c1)C#N CSC000151112 [0,2,0,0,0,0|0,0,1]=3 502 B12R1.435 COC(=O)c1cccc(c1)OC CSC000148714 [0,2,0,0,0,0|0,0,0]=2 503 B12R1.435 COC(=O)c1cccc(c1)SC CSC009884918 [0,2,0,0,0,0|0,0,0]=2 504 B12R1.435 COC(=O)c1cccc(n1)C#N CSC000085285 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.435 COC(=O)c1cncc(n1)OC CSC011996600 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F CSC000687468 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.511 NC(=O)c1cc(cc(c1I)I)I CSC000162362 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.128 CS(=O)(=O)c1cc(ccc1Cl)Cl CSC000036291 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.128 CS(=O)(=O)c1cc(ccc1F)F CSC000041713 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)C)C CSC000048138 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)N)F CSC000730503 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.228 Cc1cccc(c1Br)S(=O)(=O)N CSC012348303 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.436 COc1cccc(c1)S(=O)(=O)C CSC000048133 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] CSC000032247 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.894 Cc1ccc(c(c1F)C(=O)N)F CSC011216796 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.894 NC(=O)c1c(ccc(c1F)F)F CSC000035597 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.894 NC(=O)c1c(ccc(c1F)O)F CSC009825046 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.46 CNc1ccc(cc1C(=O)N)Cl CSC011619361 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.46 COc1ccc(cc1C(=O)N)Br CSC000215694 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.46 COc1ccc(cc1C(=O)N)Cl CSC000162310 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C CSC000016935 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.453 COc1ccc(c(c1)C(=O)N)Br CSC000162014 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C CSC000042805 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl CSC000181342 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.258 CN(C)c1cccc(c1)C(=O)N CSC000162253 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.258 NC(=O)c1cccc(c1)[N+](=O)[O-] CSC000162157 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] CSC011211226 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.279 CCOc1cccc(c1)C(=O)N CSC000027222 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.279 CCOc1cccc(c1)C(C)O CSC011305084 [0,2,0,0,0,0|0,0,2]=4 531 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] CSC000006681 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] CSC016203871 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,0,0,0,0,1|1,0,0]=3 534 B12R1.226 CC(=O)NCc1cccc(c1)C CSC011222369 [0,0,0,0,0,2|0,0,0]=2 535 B12R1.226 NC(=O)COc1cccc(c1)Cl CSC000150646 [0,0,0,0,0,2|2,0,0]=4 536 B12R1.226 NC(=O)NCc1cccc(c1)Cl CSC000238944 [0,0,0,0,0,2|2,0,0]=4 537 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [2,1,0,0,0,0|1,0,0]=4 538 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [2,1,0,0,0,0|1,0,0]=4 539 B9R1.1 COc1ccc(cc1)Br CSC000169945 [2,1,0,0,0,0|1,0,0]=4 540 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [2,1,0,0,0,0|1,0,0]=4 541 B9R1.1 COc1ccc(cc1)I CSC000171711 [2,1,0,0,0,0|1,0,0]=4 542 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [2,1,0,0,0,0|1,0,0]=4 543 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [2,1,0,0,0,0|1,0,0]=4 544 B9R1.1 CSc1ccc(cc1)F CSC000000078 [2,1,0,0,0,0|1,0,0]=4 545 B9R1.1 CSc1ccc(cc1)O CSC000211864 [2,1,0,0,0,0|1,0,0]=4 546 B9R1.15 CNc1ccccc1Cl CSC000219374 [2,1,0,0,0,0|1,0,0]=4 547 B9R1.15 COc1ccccc1Br CSC000174000 [2,1,0,0,0,0|1,0,0]=4 548 B9R1.15 COc1ccccc1Cl CSC000169952 [2,1,0,0,0,0|1,0,0]=4 549 B9R1.15 COc1ccccc1I CSC000210334 [2,1,0,0,0,0|1,0,0]=4 550 B9R1.15 CSc1ccccc1Br CSC000230855 [2,1,0,0,0,0|1,0,0]=4 551 B9R1.15 CSc1ccccc1Cl CSC000000335 [2,1,0,0,0,0|1,0,0]=4 552 B9R1.15 CSc1ccccc1F CSC000000233 [2,1,0,0,0,0|1,0,0]=4 553 B9R1.15 CSc1ccccc1O CSC011216402 [2,1,0,0,0,0|1,0,0]=4 554 B9R1.11 COC(=O)c1cccs1 CSC000148991 [1,1,0,0,1,0|1,0,0]=4 555 B9R1.11 COC(=O)c1ccsc1 CSC000194046 [1,1,0,0,1,0|1,0,0]=4 556 B11R1.20 CC(=O)Nc1ccc(cc1)Br CSC000153570 [1,1,0,0,0,1|0,0,0]=3 557 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CSC000154020 [1,1,0,0,0,1|0,0,0]=3 558 B11R1.20 CC(=O)Nc1ccc(cn1)Br CSC000193312 [1,1,0,0,0,1|1,0,0]=4 559 B11R1.20 CC(=O)Nc1ccc(cn1)C CSC000016827 [1,1,0,0,0,1|1,0,0]=4 560 B11R1.20 CC(=O)Nc1ccc(cn1)Cl CSC000016797 [1,1,0,0,0,1|1,0,0]=4 561 B11R1.20 CC(=O)Nc1ccc(cn1)F CSC000059403 [1,1,0,0,0,1|1,0,0]=4 562 B11R1.20 CC(=O)Nc1ccc(cn1)I CSC011202855 [1,1,0,0,0,1|1,0,0]=4 563 B11R1.20 CC(=O)Oc1ccc(cc1)Br CSC009811594 [1,1,0,0,0,1|0,0,0]=3 564 B11R1.20 CC(=O)Oc1ccc(cc1)C CSC000001885 [1,1,0,0,0,1|0,0,0]=3 565 B11R1.20 CC(=O)Oc1ccc(cc1)Cl CSC000001863 [1,1,0,0,0,1|0,0,0]=3 566 B11R1.20 CC(=O)Oc1ccc(cc1)F CSC000001924 [1,1,0,0,0,1|0,0,0]=3 567 B11R1.20 Cc1ccc(cc1)CC(=O)N CSC000206417 [1,1,0,0,0,1|1,0,0]=4 568 B11R1.20 NC(=O)Cc1ccc(cc1)Br CSC000162331 [1,1,0,0,0,1|1,0,0]=4 569 B11R1.20 NC(=O)Cc1ccc(cc1)F CSC000162278 [1,1,0,0,0,1|1,0,0]=4 570 B11R1.20 NC(=O)Cc1ccc(cc1)O CSC000020825 [1,1,0,0,0,1|1,0,0]=4 571 B11R1.20 NC(=O)Nc1ccc(cc1)Br CSC000198584 [1,1,0,0,0,1|1,0,0]=4 572 B11R1.20 NC(=O)Nc1ccc(cc1)F CSC000222807 [1,1,0,0,0,1|1,0,0]=4 573 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [1,1,0,0,0,1|1,0,0]=4 574 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [1,1,0,0,0,1|1,0,0]=4 575 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [1,1,0,0,0,1|1,0,0]=4 576 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [1,1,0,0,0,1|0,0,0]=3 577 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [1,1,0,0,0,1|1,0,0]=4 578 B11R1.40 CCC(=O)Nc1cccnc1 CSC000159158 [1,1,0,0,0,1|1,0,0]=4 579 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [1,1,0,0,0,1|0,0,0]=3 580 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [1,1,0,0,0,1|0,0,0]=3 581 B11R1.40 CNC(=O)Nc1ccccn1 CSC000024314 [1,1,0,0,0,1|1,0,0]=4 582 B11R1.40 CNC(=O)Nc1cccnc1 CSC000233841 [1,1,0,0,0,1|1,0,0]=4 583 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [1,1,0,0,0,1|0,0,0]=3 584 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [1,1,0,0,0,1|0,0,0]=3 585 B11R1.40 NCC(=O)Nc1ccncc1 CSC000238581 [1,1,0,0,0,1|1,0,0]=4 586 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [1,1,0,0,0,1|0,0,0]=3 587 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [1,1,0,0,0,1|0,0,0]=3 588 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [1,1,0,0,0,1|0,0,0]=3 589 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [1,1,0,0,0,1|0,0,0]=3 590 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [1,1,0,0,0,1|0,0,0]=3 591 B11R1.86 CC(=O)Nc1ccncc1Br CSC012340662 [1,1,0,0,0,1|1,0,0]=4 592 B11R1.86 CC(=O)Nc1ncccc1C CSC000016773 [1,1,0,0,0,1|1,0,0]=4 593 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [1,1,0,0,0,1|1,0,0]=4 594 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [1,1,0,0,0,1|0,0,0]=3 595 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [1,1,0,0,0,1|0,0,0]=3 596 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [1,1,0,0,0,1|1,0,0]=4 597 B11R1.86 NC(=O)Cc1ccccc1Cl CSC000162363 [1,1,0,0,0,1|1,0,0]=4 598 B11R1.86 NC(=O)Cc1ccccc1F CSC000162305 [1,1,0,0,0,1|1,0,0]=4 599 B11R1.86 NC(=O)Nc1ccccc1Br CSC000742221 [1,1,0,0,0,1|1,0,0]=4 600 B11R1.86 NC(=O)Nc1ccccc1Cl CSC000181701 [1,1,0,0,0,1|1,0,0]=4 601 B11R1.509 CS(=O)(=O)Cc1ccccc1 CSC000034595 [1,1,0,0,0,1|1,0,0]=4 602 B11R1.509 CS(=O)(=O)Nc1ccccc1 CSC000165589 [1,1,0,0,0,1|1,0,0]=4 603 B11R1.8 COc1cc(cc(c1C)C)C CSC000040147 [1,2,0,0,0,0|1,0,0]=4 604 B11R1.14 COc1cc(c(c(c1)C)Br)C CSC012160682 [1,2,0,0,0,0|1,0,0]=4 605 B11R1.34 CCOc1cc(cc(c1)C)C CSC000170371 [1,2,0,0,0,0|0,0,1]=4 606 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,2,0,0,0,0|0,0,1]=4 607 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,2,0,0,0,0|0,0,1]=4 608 B11R1.24 Cc1cccc(c1)NCCO CSC011232808 [1,2,0,0,0,0|0,0,1]=4 609 B11R1.24 Cc1cccc(c1)OCCO CSC011215094 [1,2,0,0,0,0|0,0,1]=4 610 B11R1.24 Cc1cccc(c1)SCCO CSC011432187 [1,2,0,0,0,0|0,0,1]=4 611 B11R1.182 CCSc1cc(ccc1C)C CSC000006290 [1,2,0,0,0,0|0,0,1]=4 612 B11R1.189 CCOc1cccc(c1)CO CSC011232711 [1,2,0,0,0,0|0,0,1]=4 613 B11R1.189 CCSc1cccc(c1)OC CSC000031258 [1,2,0,0,0,0|0,0,1]=4 614 B11R1.189 COc1cccc(c1)CSC CSC000051361 [1,2,0,0,0,0|0,0,1]=4 615 B11R1.192 CCNc1ccc(c(c1)C)C CSC000219818 [1,2,0,0,0,0|0,0,1]=4 616 B11R1.192 CCOc1ccc(c(c1)C)Br CSC012344538 [1,2,0,0,0,0|0,0,1]=4 617 B11R1.192 CCSc1ccc(c(c1)C)C CSC000006256 [1,2,0,0,0,0|0,0,1]=4 618 B11R1.37 CNc1cc(ccc1OC)C CSC000220787 [1,2,0,0,0,0|1,0,0]=4 619 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [1,2,0,0,0,0|1,0,0]=4 620 B11R1.279 COc1ccc(c(c1)C)C#N CSC011934301 [1,2,0,0,0,0|1,0,0]=4 621 B11R1.3 CCc1ccc(cc1)C(=O)N CSC000162293 [1,2,0,0,0,0|1,0,0]=4 622 B11R1.3 CNc1ccc(cc1)C(=O)N CSC000220534 [1,2,0,0,0,0|1,0,0]=4 623 B11R1.3 COc1ccc(cc1)C(=C)C CSC011935109 [1,2,0,0,0,0|1,0,0]=4 624 B11R1.3 NC(=O)c1ccc(cc1)C=C CSC000123571 [1,2,0,0,0,0|1,0,0]=4 625 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br CSC000765142 [1,2,0,0,0,0|1,0,0]=4 626 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl CSC000181825 [1,2,0,0,0,0|1,0,0]=4 627 B11R1.19 CS(=O)(=O)c1ccc(cc1)O CSC000230201 [1,2,0,0,0,0|1,0,0]=4 628 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C CSC000036735 [1,2,0,0,0,0|1,0,0]=4 629 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [1,2,0,0,0,0|0,0,0]=3 630 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [1,2,0,0,0,0|0,0,0]=3 631 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [1,2,0,0,0,0|0,0,0]=3 632 B11R1.22 COC(=O)c1cc[n+](cc1)[O-] CSC000000494 [1,2,0,0,0,0|1,0,0]=4 633 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [1,2,0,0,0,0|0,0,0]=3 634 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [1,2,0,0,0,0|0,0,0]=3 635 B11R1.22 COC(=O)c1ccc(cn1)Br CSC000697650 [1,2,0,0,0,0|1,0,0]=4 636 B11R1.22 COC(=O)c1ccc(cn1)Cl CSC000743185 [1,2,0,0,0,0|1,0,0]=4 637 B11R1.22 COC(=O)c1ccc(cn1)F CSC012017284 [1,2,0,0,0,0|1,0,0]=4 638 B11R1.22 COC(=O)c1ccc(nc1)C CSC000740734 [1,2,0,0,0,0|1,0,0]=4 639 B11R1.22 COC(=O)c1ccc(nc1)F CSC011934332 [1,2,0,0,0,0|1,0,0]=4 640 B11R1.22 NNC(=O)c1ccc(cc1)I CSC000189773 [1,2,0,0,0,0|1,0,0]=4 641 B11R1.22 NNC(=O)c1ccc(cc1)N CSC000186298 [1,2,0,0,0,0|1,0,0]=4 642 B11R1.166 Cc1cc(ccc1C(=O)N)Br CSC011327924 [1,2,0,0,0,0|1,0,0]=4 643 B11R1.166 Cc1cc(ccc1C(=O)N)F CSC011997080 [1,2,0,0,0,0|1,0,0]=4 644 B11R1.166 Cc1ccc(c(c1)C)C(=O)N CSC000162304 [1,2,0,0,0,0|1,0,0]=4 645 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)N CSC012178794 [1,2,0,0,0,0|1,0,0]=4 646 B11R1.166 Cc1ccc(c(c1)F)C(=O)N CSC000686557 [1,2,0,0,0,0|1,0,0]=4 647 B11R1.166 NC(=O)c1ccc(cc1Br)Br CSC012769498 [1,2,0,0,0,0|1,0,0]=4 648 B11R1.166 NC(=O)c1ccc(cc1Br)Cl CSC012347284 [1,2,0,0,0,0|1,0,0]=4 649 B11R1.166 NC(=O)c1ccc(cc1Cl)Cl CSC000162194 [1,2,0,0,0,0|1,0,0]=4 650 B11R1.166 NC(=O)c1ccc(cc1Cl)F CSC000162332 [1,2,0,0,0,0|1,0,0]=4 651 B11R1.166 NC(=O)c1ccc(cc1Cl)I CSC000060398 [1,2,0,0,0,0|1,0,0]=4 652 B11R1.166 NC(=O)c1ccc(cc1F)Br CSC000216903 [1,2,0,0,0,0|1,0,0]=4 653 B11R1.166 NC(=O)c1ccc(cc1F)Cl CSC000216909 [1,2,0,0,0,0|1,0,0]=4 654 B11R1.166 NC(=O)c1ccc(cc1F)F CSC000162284 [1,2,0,0,0,0|1,0,0]=4 655 B11R1.166 NC(=O)c1ccc(cc1O)Cl CSC000192836 [1,2,0,0,0,0|1,0,0]=4 656 B11R1.166 NC(=O)c1ccc(cc1O)O CSC011933943 [1,2,0,0,0,0|1,0,0]=4 657 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [1,2,0,0,0,0|1,0,0]=4 658 B11R1.7 CNS(=O)(=O)c1ccccc1 CSC000165098 [1,2,0,0,0,0|1,0,0]=4 659 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [1,2,0,0,0,0|0,0,0]=3 660 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [1,2,0,0,0,0|1,0,0]=4 661 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [1,2,0,0,0,0|1,0,0]=4 662 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [1,2,0,0,0,0|1,0,0]=4 663 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [1,2,0,0,0,0|0,0,0]=3 664 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [1,2,0,0,0,0|0,0,0]=3 665 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [1,2,0,0,0,0|0,0,0]=3 666 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,2,0,0,0,0|0,0,0]=3 667 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [1,2,0,0,0,0|0,0,0]=3 668 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [1,2,0,0,0,0|0,0,0]=3 669 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [1,2,0,0,0,0|0,0,0]=3 670 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [1,2,0,0,0,0|1,0,0]=4 671 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [1,2,0,0,0,0|0,0,0]=3 672 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [1,2,0,0,0,0|0,0,0]=3 673 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [1,2,0,0,0,0|1,0,0]=4 674 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [1,2,0,0,0,0|1,0,0]=4 675 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [1,2,0,0,0,0|1,0,0]=4 676 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [1,2,0,0,0,0|1,0,0]=4 677 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [1,2,0,0,0,0|1,0,0]=4 678 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [1,2,0,0,0,0|1,0,0]=4 679 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [1,2,0,0,0,0|1,0,0]=4 680 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [1,2,0,0,0,0|1,0,0]=4 681 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [1,2,0,0,0,0|1,0,0]=4 682 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [1,2,0,0,0,0|1,0,0]=4 683 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [1,2,0,0,0,0|1,0,0]=4 684 B11R1.222 NNC(=O)c1ccccc1Cl CSC000186534 [1,2,0,0,0,0|1,0,0]=4 685 B11R1.222 NNC(=O)c1ccccc1I CSC000190081 [1,2,0,0,0,0|1,0,0]=4 686 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [1,2,0,0,0,0|1,0,0]=4 687 B11R1.87 CS(=O)(=O)c1ccccc1Br CSC000751929 [1,2,0,0,0,0|1,0,0]=4 688 B11R1.87 CS(=O)(=O)c1ccccc1Cl CSC000048123 [1,2,0,0,0,0|1,0,0]=4 689 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [1,2,0,0,0,0|1,0,0]=4 690 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [1,2,0,0,0,0|1,0,0]=4 691 B11R1.156 Cc1cccc(c1C(=O)N)C CSC011218824 [1,2,0,0,0,0|1,0,0]=4 692 B11R1.156 NC(=O)c1c(cccc1Br)F CSC011219063 [1,2,0,0,0,0|1,0,0]=4 693 B11R1.156 NC(=O)c1c(cccc1Cl)Cl CSC011200855 [1,2,0,0,0,0|1,0,0]=4 694 B11R1.156 NC(=O)c1c(cccc1Cl)F CSC000723611 [1,2,0,0,0,0|1,0,0]=4 695 B11R1.156 NC(=O)c1c(cccc1O)O CSC011218739 [1,2,0,0,0,0|1,0,0]=4 696 B11R1.15 CCOC(=O)c1coc(c1)C CSC000708973 [0,2,0,0,1,0|1,0,0]=4 697 B11R1.44 COC(=O)c1ccc(o1)CO CSC000246396 [0,2,0,0,1,0|1,0,0]=4 698 B11R1.225 COC(=O)c1cc([nH]c1C)C CSC000034269 [0,2,0,0,1,0|1,0,0]=4 699 B11R1.225 COC(=O)c1cc(oc1C)C CSC000149875 [0,2,0,0,1,0|1,0,0]=4 700 B11R1.225 COC(=O)c1cc(oc1C)C CSC000149875 [0,2,0,0,1,0|1,0,0]=4 701 B11R1.225 COC(=O)c1cc(sc1Br)C CSC009817063 [0,2,0,0,1,0|1,0,0]=4 702 B11R1.225 COC(=O)c1oc(cc1C)C CSC000725415 [0,2,0,0,1,0|1,0,0]=4 703 B11R1.225 COC(=O)c1sc(cc1Br)C CSC009817204 [0,2,0,0,1,0|1,0,0]=4 704 B11R1.226 COC(=O)c1cc(c(o1)C)C CSC000082600 [0,2,0,0,1,0|1,0,0]=4 705 B11R1.226 COC(=O)c1cc(c(s1)C)Br CSC010184806 [0,2,0,0,1,0|1,0,0]=4 706 B11R1.865 COC(=O)c1scc(c1Cl)C CSC011216880 [0,2,0,0,1,0|1,0,0]=4 707 B11R1.59 COC(=O)c1sccc1OC CSC011218578 [0,2,0,0,1,0|1,0,0]=4 708 B11R1.199 CCNC(=O)c1cccn1C CSC000174173 [0,2,0,0,1,0|1,0,0]=4 709 B11R1.199 CCNC(=O)c1ccoc1C CSC000206257 [0,2,0,0,1,0|1,0,0]=4 710 B11R1.199 CCOC(=O)c1c[nH]cc1C CSC000047047 [0,2,0,0,1,0|1,0,0]=4 711 B11R1.199 CCOC(=O)c1cc[nH]c1C CSC000074837 [0,2,0,0,1,0|1,0,0]=4 712 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [0,2,0,0,1,0|1,0,0]=4 713 B11R1.199 CCOC(=O)c1ccoc1C CSC011212792 [0,2,0,0,1,0|1,0,0]=4 714 B11R1.199 CCOC(=O)c1ccsc1C CSC012181354 [0,2,0,0,1,0|1,0,0]=4 715 B13R1.15 CCC(=O)NCc1cccc(c1)Br CSC011236840 [0,1,0,0,0,2|1,0,0]=4 716 B13R1.15 CCC(=O)NCc1cccc(c1)C CSC011222327 [0,1,0,0,0,2|0,0,0]=3 717 B13R1.15 CNC(=O)COc1cccc(c1)C CSC000150510 [0,1,0,0,0,2|0,0,0]=3 718 B13R1.15 CNC(=O)COc1cccc(c1)Cl CSC000150638 [0,1,0,0,0,2|1,0,0]=4 719 B13R1.15 CNC(=O)COc1cccc(c1)F CSC000150749 [0,1,0,0,0,2|1,0,0]=4 720 B13R1.15 COC(=O)CCc1cccc(c1)Br CSC000151591 [0,1,0,0,0,2|1,0,0]=4 721 B13R1.15 COC(=O)CCc1cccc(c1)Cl CSC000024355 [0,1,0,0,0,2|1,0,0]=4 722 B13R1.15 COC(=O)CNc1cccc(c1)Br CSC000219654 [0,1,0,0,0,2|1,0,0]=4 723 B13R1.15 COC(=O)CNc1cccc(c1)Cl CSC000220050 [0,1,0,0,0,2|1,0,0]=4 724 B13R1.15 COC(=O)COc1cccc(c1)C CSC000149909 [0,1,0,0,0,2|0,0,0]=3 725 B13R1.15 COC(=O)CSc1cccc(c1)Br CSC011756034 [0,1,0,0,0,2|1,0,0]=4 726 B13R1.15 COC(=O)CSc1cccc(c1)C CSC011431931 [0,1,0,0,0,2|0,0,0]=3 727 B13R1.15 COC(=O)CSc1cccc(c1)Cl CSC011721657 [0,1,0,0,0,2|1,0,0]=4 728 B13R1.15 COC(=O)NCc1cccc(c1)Br CSC011256846 [0,1,0,0,0,2|1,0,0]=4 729 B13R1.15 COC(=O)NCc1cccc(c1)Cl CSC000236059 [0,1,0,0,0,2|1,0,0]=4 730 B13R1.15 Cc1cccc(c1)CNC(=O)CN CSC011368966 [0,1,0,0,0,2|0,0,0]=3 731 B13R1.15 NCC(=O)NCc1cccc(c1)Cl CSC000168498 [0,1,0,0,0,2|1,0,0]=4 732 B13R1.15 NCC(=O)NCc1cccc(c1)F CSC011248369 [0,1,0,0,0,2|1,0,0]=4 733 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N CSC000013946 [0,1,0,0,0,2|1,0,0]=4 734 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)O CSC000187688 [0,1,0,0,0,2|1,0,0]=4 735 B13R1.150 Cc1cccc(c1C)OCC(=O)N CSC000151105 [0,1,0,0,0,2|1,0,0]=4 736 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N CSC000186616 [0,1,0,0,0,2|1,0,0]=4 737 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N CSC000149623 [0,1,0,0,0,2|1,0,0]=4 738 B13R1.511 Cc1ccc(cc1C)OCC(=O)N CSC000149134 [0,1,0,0,0,2|1,0,0]=4 739 B13R1.643 CC(=C)COc1cccc(c1)CO CSC011232702 [0,1,0,0,0,2|1,0,0]=4 740 B13R1.838 Cc1cccc(c1)CNS(=O)(=O)C CSC011222289 [0,1,0,0,0,2|1,0,0]=4 741 B13R1.3420 CC(=O)COc1cc(cc(c1)Cl)Cl CSC000148508 [0,1,0,0,0,2|1,0,0]=4 742 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C CSC000149143 [0,1,0,0,0,2|1,0,0]=4 743 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)C#N CSC000154688 [0,2,0,0,0,1|1,0,0]=4 744 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C CSC009871426 [0,2,0,0,0,1|1,0,0]=4 745 B13R1.35 COc1ccc(cc1Br)NC(=O)C CSC000187428 [0,2,0,0,0,1|1,0,0]=4 746 B13R1.35 COc1ccc(cc1Cl)NC(=O)C CSC000152235 [0,2,0,0,0,1|1,0,0]=4 747 B13R1.35 COc1ccc(cc1F)NC(=O)C CSC011323073 [0,2,0,0,0,1|1,0,0]=4 748 B13R1.35 COc1ccc(cc1N)NC(=O)C CSC000211725 [0,2,0,0,0,1|1,0,0]=4 749 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)F CSC011641189 [0,2,0,0,0,1|0,0,1]=4 750 B13R1.52 COc1cc(ccc1Cl)NC(=O)C CSC012002201 [0,2,0,0,0,1|0,0,0]=3 751 B13R1.518 Cc1ccc(cc1C)NS(=O)(=O)C CSC000165629 [0,2,0,0,0,1|1,0,0]=4 752 B13R1.876 CC(=O)Nc1cc(c(cc1Br)C)Cl CSC000730804 [0,2,0,0,0,1|1,0,0]=4 753 B13R1.876 CC(=O)Nc1cc(c(cc1C)Br)F CSC013212116 [0,2,0,0,0,1|1,0,0]=4 754 B13R1.876 CC(=O)Nc1cc(c(cc1C)C)Br CSC016095498 [0,2,0,0,0,1|1,0,0]=4 755 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)Cl)Cl CSC000187319 [0,2,0,0,0,1|1,0,0]=4 756 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)Br CSC000155613 [0,2,0,0,0,1|0,0,0]=3 757 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)C CSC000153709 [0,2,0,0,0,1|0,0,0]=3 758 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)N CSC011203062 [0,2,0,0,0,1|0,0,0]=3 759 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Br CSC000186770 [0,2,0,0,0,1|1,0,0]=4 760 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)C CSC000154007 [0,2,0,0,0,1|1,0,0]=4 761 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)Cl CSC000153909 [0,2,0,0,0,1|1,0,0]=4 762 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F CSC000155753 [0,2,0,0,0,1|1,0,0]=4 763 B13R1.2879 CCC(=O)Nc1ccc(c(n1)C)Br CSC000187203 [0,2,0,0,0,1|1,0,0]=4 764 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C CSC000159723 [0,2,0,0,0,1|0,0,0]=3 765 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)C CSC000235180 [0,2,0,0,0,1|0,0,0]=3 766 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)C CSC000181116 [0,2,0,0,0,1|1,0,0]=4 767 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl CSC000178565 [0,2,0,0,0,1|1,0,0]=4 768 B13R1.2879 COC(=O)Cc1ccc(c(c1)Br)F CSC011435807 [0,2,0,0,0,1|1,0,0]=4 769 B13R1.2879 COC(=O)Cc1ccc(c(c1)C)C CSC000151499 [0,2,0,0,0,1|0,0,0]=3 770 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)Cl CSC000148930 [0,2,0,0,0,1|1,0,0]=4 771 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)Cl CSC012360021 [0,2,0,0,0,1|1,0,0]=4 772 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)F CSC012186392 [0,2,0,0,0,1|1,0,0]=4 773 B13R1.2879 Cc1ccc(cc1C)CC(=O)NN CSC000189953 [0,2,0,0,0,1|1,0,0]=4 774 B13R1.2879 Cc1ccc(cc1C)NC(=O)CN CSC000168377 [0,2,0,0,0,1|0,0,0]=3 775 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CN CSC000168396 [0,2,0,0,0,1|1,0,0]=4 776 B13R1.2879 Cc1ccc(cc1F)NC(=O)CN CSC000168501 [0,2,0,0,0,1|1,0,0]=4 777 B13R1.2879 Cc1nc(ccc1I)NC(=O)CN CSC057194755 [0,2,0,0,0,1|1,0,0]=4 778 B13R1.2879 NCC(=O)Nc1ccc(c(c1)Cl)F CSC000168372 [0,2,0,0,0,1|1,0,0]=4 779 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)F CSC000155507 [0,2,0,0,0,1|1,0,0]=4 780 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)Br)C CSC012340666 [0,2,0,0,0,1|0,0,0]=3 781 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)Br)F CSC009813856 [0,2,0,0,0,1|1,0,0]=4 782 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)F)F CSC012109103 [0,2,0,0,0,1|1,0,0]=4 783 B13R1.20 CCCC(=O)Nc1cc(ccn1)C CSC015798165 [0,2,0,0,0,1|1,0,0]=4 784 B13R1.20 CCCC(=O)Nc1cccc(c1)Br CSC000153622 [0,2,0,0,0,1|1,0,0]=4 785 B13R1.20 CCCC(=O)Nc1cccc(c1)C CSC000153653 [0,2,0,0,0,1|0,0,0]=3 786 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl CSC000153959 [0,2,0,0,0,1|1,0,0]=4 787 B13R1.20 CCCC(=O)Nc1cccc(c1)F CSC000153971 [0,2,0,0,0,1|1,0,0]=4 788 B13R1.20 CCCC(=O)Nc1cccc(c1)O CSC000158605 [0,2,0,0,0,1|1,0,0]=4 789 B13R1.20 CCNC(=O)Cc1cccc(c1)Br CSC011713800 [0,2,0,0,0,1|1,0,0]=4 790 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl CSC011795137 [0,2,0,0,0,1|1,0,0]=4 791 B13R1.20 CCNC(=O)Cc1cccc(c1)F CSC000160229 [0,2,0,0,0,1|1,0,0]=4 792 B13R1.20 CCNC(=O)Cc1cccc(c1)N CSC011690098 [0,2,0,0,0,1|1,0,0]=4 793 B13R1.20 CCNC(=O)Nc1cccc(c1)Br CSC000163297 [0,2,0,0,0,1|1,0,0]=4 794 B13R1.20 CCNC(=O)Nc1cccc(c1)F CSC000163368 [0,2,0,0,0,1|1,0,0]=4 795 B13R1.20 CCNC(=O)Nc1cccc(c1)I CSC000163674 [0,2,0,0,0,1|1,0,0]=4 796 B13R1.20 CCOC(=O)Cc1cccc(c1)Br CSC011586817 [0,2,0,0,0,1|1,0,0]=4 797 B13R1.20 CCOC(=O)Cc1cccc(c1)F CSC000171471 [0,2,0,0,0,1|1,0,0]=4 798 B13R1.20 CCOC(=O)Cc1cccc(c1)O CSC011472689 [0,2,0,0,0,1|1,0,0]=4 799 B13R1.20 CNCC(=O)Nc1cccc(c1)Br CSC000168061 [0,2,0,0,0,1|1,0,0]=4 800 B13R1.20 CNCC(=O)Nc1cccc(c1)C CSC000168055 [0,2,0,0,0,1|0,0,0]=3 801 B13R1.20 COCC(=O)Nc1cc(ccn1)C CSC015377750 [0,2,0,0,0,1|1,0,0]=4 802 B13R1.20 COCC(=O)Nc1cccc(c1)Br CSC000158352 [0,2,0,0,0,1|1,0,0]=4 803 B13R1.20 COCC(=O)Nc1cccc(c1)C CSC000158358 [0,2,0,0,0,1|0,0,0]=3 804 B13R1.20 COCC(=O)Nc1cccc(c1)Cl CSC000158544 [0,2,0,0,0,1|1,0,0]=4 805 B13R1.20 COCC(=O)Nc1cccc(c1)F CSC000158549 [0,2,0,0,0,1|1,0,0]=4 806 B13R1.20 Cc1cccc(c1)NC(=O)CCN CSC011195692 [0,2,0,0,0,1|0,0,0]=3 807 B13R1.20 Cc1ccnc(c1)NC(=O)CC#N CSC011204671 [0,2,0,0,0,1|1,0,0]=4 808 B13R1.20 NCCC(=O)Nc1cccc(c1)F CSC011195648 [0,2,0,0,0,1|1,0,0]=4 809 B13R1.22 COC(=O)C(C)c1cccc(c1)Br CSC010077029 [0,2,0,0,0,1|1,0,0]=4 810 B13R1.40 CCC(=O)Nc1cccc(c1C)Br CSC011775774 [0,2,0,0,0,1|1,0,0]=4 811 B13R1.40 CCC(=O)Nc1cccc(c1C)C CSC000153693 [0,2,0,0,0,1|0,0,0]=3 812 B13R1.40 CCC(=O)Nc1cccc(c1C)Cl CSC000154239 [0,2,0,0,0,1|1,0,0]=4 813 B13R1.40 CCC(=O)Nc1cccc(c1Cl)Cl CSC000155695 [0,2,0,0,0,1|1,0,0]=4 814 B13R1.40 CNC(=O)Nc1cccc(c1C)C CSC000235317 [0,2,0,0,0,1|0,0,0]=3 815 B13R1.40 CNC(=O)Nc1cccc(c1Cl)Cl CSC011257079 [0,2,0,0,0,1|1,0,0]=4 816 B13R1.40 COC(=O)Cc1cccc(c1Cl)Cl CSC011934355 [0,2,0,0,0,1|1,0,0]=4 817 B13R1.40 COC(=O)Cc1cccc(c1F)Cl CSC012362493 [0,2,0,0,0,1|1,0,0]=4 818 B13R1.81 CCC(=O)Nc1cccc(c1)C#N CSC000152059 [0,2,0,0,0,1|0,0,1]=4 819 B13R1.81 CCC(=O)Nc1cccc(c1)OC CSC000153677 [0,2,0,0,0,1|0,0,0]=3 820 B13R1.81 CCC(=O)Nc1cccc(c1)SC CSC000153997 [0,2,0,0,0,1|0,0,0]=3 821 B13R1.81 CCc1cccc(c1)NC(=O)CN CSC000168485 [0,2,0,0,0,1|0,0,0]=3 822 B13R1.81 CNC(=O)Nc1cccc(c1)OC CSC000235175 [0,2,0,0,0,1|0,0,0]=3 823 B13R1.81 COC(=O)Cc1cccc(c1)C#N CSC000081101 [0,2,0,0,0,1|0,0,1]=4 824 B13R1.81 COC(=O)Cc1cccc(c1)OC CSC000149792 [0,2,0,0,0,1|0,0,0]=3 825 B13R1.81 COC(=O)Nc1cccc(c1)OC CSC011256746 [0,2,0,0,0,1|0,0,0]=3 826 B13R1.81 COc1cccc(c1)CC(=O)NN CSC000189853 [0,2,0,0,0,1|1,0,0]=4 827 B13R1.81 COc1cccc(c1)NC(=O)CN CSC000168383 [0,2,0,0,0,1|0,0,0]=3 828 B13R1.81 COc1ccnc(c1)NC(=O)CO CSC016059733 [0,2,0,0,0,1|1,0,0]=4 829 B13R1.81 CSc1cccc(c1)NC(=O)CN CSC000168484 [0,2,0,0,0,1|0,0,0]=3 830 B13R1.2872 CCC(=O)Nc1cc(ccc1C)C CSC000152688 [0,2,0,0,0,1|0,0,0]=3 831 B13R1.2872 CCC(=O)Nc1cc(ccc1C)Cl CSC000152472 [0,2,0,0,0,1|1,0,0]=4 832 B13R1.2872 CCC(=O)Nc1cc(ccc1C)F CSC000155783 [0,2,0,0,0,1|1,0,0]=4 833 B13R1.2872 CCC(=O)Nc1cc(ccc1C)N CSC011193571 [0,2,0,0,0,1|1,0,0]=4 834 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)C CSC011204366 [0,2,0,0,0,1|0,0,0]=3 835 B13R1.2872 CCC(=O)Nc1cc(ccc1Cl)Cl CSC000153943 [0,2,0,0,0,1|1,0,0]=4 836 B13R1.2872 CCC(=O)Nc1cc(ccc1F)F CSC000155526 [0,2,0,0,0,1|1,0,0]=4 837 B13R1.2872 CCC(=O)Nc1cc(ccc1O)Cl CSC000016707 [0,2,0,0,0,1|1,0,0]=4 838 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C CSC011809056 [0,2,0,0,0,1|0,0,0]=3 839 B13R1.2872 CNC(=O)Nc1cc(ccc1C)C CSC000235299 [0,2,0,0,0,1|0,0,0]=3 840 B13R1.2872 CNC(=O)Nc1cc(ccc1C)Cl CSC000235263 [0,2,0,0,0,1|1,0,0]=4 841 B13R1.2872 CNC(=O)Nc1cc(ccc1Cl)Cl CSC011257042 [0,2,0,0,0,1|1,0,0]=4 842 B13R1.2872 COC(=O)Cc1cc(ccc1C)C CSC011203040 [0,2,0,0,0,1|0,0,0]=3 843 B13R1.2872 COC(=O)Cc1cc(ccc1F)F CSC012179967 [0,2,0,0,0,1|1,0,0]=4 844 B13R1.2872 Cc1ccc(c(c1)CC(=O)NN)C CSC000189220 [0,2,0,0,0,1|1,0,0]=4 845 B13R1.2872 Cc1ccc(c(c1)NC(=O)CN)C CSC000168433 [0,2,0,0,0,1|0,0,0]=3 846 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C CSC000246341 [0,2,0,0,0,1|0,0,0]=3 847 B13R1.2872 Cc1ccc(cc1NC(=O)CN)Br CSC000748468 [0,2,0,0,0,1|1,0,0]=4 848 B13R1.2872 Cc1ccc(cc1NC(=O)CN)Cl CSC000168387 [0,2,0,0,0,1|1,0,0]=4 849 B13R1.2872 Cc1ccc(cc1NC(=O)CN)F CSC000168499 [0,2,0,0,0,1|1,0,0]=4 850 B13R1.2874 CCC(=O)Nc1cc(cc(c1)C)C CSC000155767 [0,2,0,0,0,1|0,0,0]=3 851 B13R1.2874 CCC(=O)Nc1cc(cc(c1)F)F CSC000234083 [0,2,0,0,0,1|1,0,0]=4 852 B13R1.2874 CNC(=O)Nc1cc(cc(c1)C)C CSC000235005 [0,2,0,0,0,1|0,0,0]=3 853 B13R1.2874 CNC(=O)Nc1cc(cc(c1)Cl)Cl CSC000235323 [0,2,0,0,0,1|1,0,0]=4 854 B13R1.2874 Cc1cc(cc(c1)NC(=O)CN)C CSC000168419 [0,2,0,0,0,1|0,0,0]=3 855 B13R1.2874 NCC(=O)Nc1cc(cc(c1)F)F CSC000239793 [0,2,0,0,0,1|1,0,0]=4 856 B13R1.3421 Cc1cc(cc(c1)NS(=O)(=O)C)C CSC000165882 [0,2,0,0,0,1|1,0,0]=4 857 B13R1.80 COc1cccc(c1)NS(=O)(=O)C CSC000165621 [0,2,0,0,0,1|1,0,0]=4 858 B13R1.80 CSc1cccc(c1)NS(=O)(=O)C CSC000165658 [0,2,0,0,0,1|1,0,0]=4 859 B13R1.151 Cc1cccc(c1C)NS(=O)(=O)C CSC000165625 [0,2,0,0,0,1|1,0,0]=4 860 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)C CSC000165576 [0,2,0,0,0,1|1,0,0]=4 861 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)F CSC000165942 [0,2,0,0,0,1|1,0,0]=4 862 B13R1.894 Cc1ccc(c(c1)NS(=O)(=O)C)O CSC011374127 [0,2,0,0,0,1|1,0,0]=4 863 B13R1.97 COc1ccc(c(c1)NC(=O)C)O CSC009876672 [0,2,0,0,0,1|0,0,0]=3 864 B13R1.3089 COc1ccc(cc1NC(=O)C)C CSC000155816 [0,2,0,0,0,1|0,0,0]=3 865 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl CSC000154124 [0,2,0,0,0,1|1,0,0]=4 866 B13R1.3089 COc1ccc(cc1NC(=O)N)C CSC000238959 [0,2,0,0,0,1|1,0,0]=4 867 B13R1.373 CCNc1cccc(c1)NC(=O)C CSC000220339 [0,2,0,0,0,1|0,0,0]=3 868 B13R1.373 CCOc1cccc(c1)NC(=O)C CSC000172304 [0,2,0,0,0,1|0,0,0]=3 869 B13R1.373 COCc1cccc(c1)NC(=O)C CSC011239061 [0,2,0,0,0,1|0,0,0]=3 870 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C CSC000155543 [0,2,0,0,0,1|0,0,0]=3 871 B13R1.587 CC(=O)Nc1cccc(c1)C(F)F CSC000058728 [0,2,0,0,0,1|0,0,0]=3 872 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] CSC000158500 [0,2,0,0,0,1|1,0,0]=4 873 B13R1.587 CC(=O)Oc1cccc(c1)C(=O)C CSC000002162 [0,2,0,0,0,1|0,0,0]=3 874 B13R1.587 CC(=O)Oc1cccc(c1)[N+](=O)[O-] CSC000002267 [0,2,0,0,0,1|1,0,0]=4 875 B13R1.587 CC(=O)c1cccc(c1)NC(=O)N CSC011214336 [0,2,0,0,0,1|1,0,0]=4 876 B13R1.272 CNS(=O)(=O)c1ccc(c(c1)C)F CSC011875959 [0,3,0,0,0,0|1,0,0]=4 877 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)N CSC000162279 [0,3,0,0,0,0|1,0,0]=4 878 B13R1.144 CCOc1ccc(cc1C)C(=O)C CSC011826144 [0,3,0,0,0,0|0,0,0]=3 879 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C CSC011772398 [0,3,0,0,0,0|1,0,0]=4 880 B13R1.144 CCOc1ccc(cc1F)C(=O)C CSC011229987 [0,3,0,0,0,0|1,0,0]=4 881 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC CSC011220448 [0,3,0,0,0,0|1,0,0]=4 882 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC CSC000206220 [0,3,0,0,0,0|1,0,0]=4 883 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC CSC000198141 [0,3,0,0,0,0|1,0,0]=4 884 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC CSC000189012 [0,3,0,0,0,0|1,0,0]=4 885 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)C#N CSC009861381 [0,3,0,0,0,0|1,0,0]=4 886 B13R1.3088 COC(=O)c1ccc(c(c1)F)CO CSC000094453 [0,3,0,0,0,0|1,0,0]=4 887 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC CSC000198256 [0,3,0,0,0,0|1,0,0]=4 888 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC CSC011216211 [0,3,0,0,0,0|1,0,0]=4 889 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC CSC011215032 [0,3,0,0,0,0|1,0,0]=4 890 B13R1.3091 COc1cc(ccc1SC)C(=O)C CSC000056233 [0,3,0,0,0,0|0,0,0]=3 891 B13R1.3380 COc1c(cc(cc1C)C(=O)N)C CSC010732989 [0,3,0,0,0,0|1,0,0]=4 892 B13R1.49 COC(=O)c1ccc(c(c1)C#N)F CSC000082614 [0,3,0,0,0,0|0,0,1]=4 893 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br CSC009816954 [0,3,0,0,0,0|0,0,0]=3 894 B13R1.49 COC(=O)c1ccc(c(c1)OC)C CSC000216661 [0,3,0,0,0,0|0,0,0]=3 895 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl CSC012340335 [0,3,0,0,0,0|0,0,0]=3 896 B13R1.1807 CNC(=O)c1cc(c(cc1F)Cl)F CSC012351267 [0,3,0,0,0,0|1,0,0]=4 897 B13R1.1807 COC(=O)c1cc(c(cc1Br)F)F CSC010195689 [0,3,0,0,0,0|1,0,0]=4 898 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)F CSC012362494 [0,3,0,0,0,0|1,0,0]=4 899 B13R1.1807 COC(=O)c1cc(c(cc1F)F)F CSC011997364 [0,3,0,0,0,0|1,0,0]=4 900 B13R1.1807 COC(=O)c1cc(c(cc1N)F)Br CSC000699149 [0,3,0,0,0,0|1,0,0]=4 901 B13R1.1807 COC(=O)c1cc(c(cc1N)F)Cl CSC010201465 [0,3,0,0,0,0|1,0,0]=4 902 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br CSC012357431 [0,3,0,0,0,0|0,0,0]=3 903 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C CSC000160207 [0,3,0,0,0,0|0,0,0]=3 904 B13R1.466 CCNC(=O)c1ccc(c(c1)C)N CSC000742543 [0,3,0,0,0,0|0,0,0]=3 905 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl CSC000160119 [0,3,0,0,0,0|1,0,0]=4 906 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F CSC000194126 [0,3,0,0,0,0|1,0,0]=4 907 B13R1.466 CCNC(=O)c1ccc(c(c1)N)C CSC000740560 [0,3,0,0,0,0|1,0,0]=4 908 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)C CSC012359631 [0,3,0,0,0,0|1,0,0]=4 909 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)Cl CSC012356254 [0,3,0,0,0,0|1,0,0]=4 910 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)F CSC011934563 [0,3,0,0,0,0|1,0,0]=4 911 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)I CSC011294787 [0,3,0,0,0,0|1,0,0]=4 912 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)N CSC000736719 [0,3,0,0,0,0|1,0,0]=4 913 B13R1.466 CCOC(=O)c1ccc(c(c1)C)Br CSC012229600 [0,3,0,0,0,0|0,0,0]=3 914 B13R1.466 CCOC(=O)c1ccc(c(c1)C)C CSC000170501 [0,3,0,0,0,0|0,0,0]=3 915 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)Cl CSC000170108 [0,3,0,0,0,0|1,0,0]=4 916 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)F CSC012350785 [0,3,0,0,0,0|1,0,0]=4 917 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)I CSC012351148 [0,3,0,0,0,0|1,0,0]=4 918 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)N CSC011236251 [0,3,0,0,0,0|1,0,0]=4 919 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Br CSC011533738 [0,3,0,0,0,0|1,0,0]=4 920 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Cl CSC012350790 [0,3,0,0,0,0|1,0,0]=4 921 B13R1.466 CCOC(=O)c1ccc(c(c1)F)F CSC000700069 [0,3,0,0,0,0|1,0,0]=4 922 B13R1.466 CCOC(=O)c1ccc(c(c1)F)I CSC000062897 [0,3,0,0,0,0|1,0,0]=4 923 B13R1.466 CCOC(=O)c1ccc(c(c1)F)N CSC011728592 [0,3,0,0,0,0|1,0,0]=4 924 B13R1.466 CCOC(=O)c1ccc(c(c1)I)C CSC011809547 [0,3,0,0,0,0|1,0,0]=4 925 B13R1.466 CCOC(=O)c1ccc(c(c1)O)Br CSC012355281 [0,3,0,0,0,0|1,0,0]=4 926 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)F CSC012639156 [0,3,0,0,0,0|1,0,0]=4 927 B13R1.1808 COC(=O)c1ccc(c(c1C)F)Br CSC010291505 [0,3,0,0,0,0|1,0,0]=4 928 B13R1.1808 COC(=O)c1ccc(c(c1Cl)N)Cl CSC010996465 [0,3,0,0,0,0|1,0,0]=4 929 B13R1.1808 COC(=O)c1ccc(c(c1F)C)Br CSC010172522 [0,3,0,0,0,0|0,0,0]=3 930 B13R1.1808 COC(=O)c1ccc(c(c1F)Cl)F CSC000697099 [0,3,0,0,0,0|1,0,0]=4 931 B13R1.2678 COC(=O)c1cc(c(c(c1)F)F)F CSC011219365 [0,3,0,0,0,0|1,0,0]=4 932 B13R1.2678 COC(=O)c1cc(c(c(c1)F)O)F CSC009871777 [0,3,0,0,0,0|1,0,0]=4 933 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C CSC000165202 [0,3,0,0,0,0|1,0,0]=4 934 B13R1.257 CNS(=O)(=O)c1cc(ccc1C)C CSC000165125 [0,3,0,0,0,0|1,0,0]=4 935 B13R1.260 CNS(=O)(=O)c1cc(cc(c1)Br)C CSC012357436 [0,3,0,0,0,0|1,0,0]=4 936 B13R1.12 CCNC(=O)c1cccc(c1O)C CSC000192207 [0,3,0,0,0,0|0,0,0]=3 937 B13R1.12 CCOC(=O)c1cccc(c1Br)C CSC012353711 [0,3,0,0,0,0|0,0,0]=3 938 B13R1.12 CCOC(=O)c1cccc(c1C)Br CSC012298221 [0,3,0,0,0,0|1,0,0]=4 939 B13R1.12 CCOC(=O)c1cccc(c1C)F CSC000082645 [0,3,0,0,0,0|1,0,0]=4 940 B13R1.12 CCOC(=O)c1cccc(c1C)I CSC010168165 [0,3,0,0,0,0|1,0,0]=4 941 B13R1.12 CCOC(=O)c1cccc(c1C)N CSC011217555 [0,3,0,0,0,0|1,0,0]=4 942 B13R1.12 CCOC(=O)c1cccc(c1Cl)Cl CSC000170263 [0,3,0,0,0,0|1,0,0]=4 943 B13R1.12 CCOC(=O)c1cccc(c1F)Br CSC012359204 [0,3,0,0,0,0|1,0,0]=4 944 B13R1.12 CCOC(=O)c1cccc(c1F)Cl CSC012350793 [0,3,0,0,0,0|1,0,0]=4 945 B13R1.12 CCOC(=O)c1cccc(c1F)F CSC011722203 [0,3,0,0,0,0|1,0,0]=4 946 B13R1.12 CCOC(=O)c1cccc(c1N)C CSC000246248 [0,3,0,0,0,0|0,0,0]=3 947 B13R1.12 CCOC(=O)c1cccc(c1N)I CSC000055436 [0,3,0,0,0,0|1,0,0]=4 948 B13R1.18 CCCNC(=O)c1cccc(c1)Br CSC000152271 [0,3,0,0,0,0|1,0,0]=4 949 B13R1.18 CCCNC(=O)c1cccc(c1)C CSC000161784 [0,3,0,0,0,0|0,0,0]=3 950 B13R1.18 CCCNC(=O)c1cccc(c1)Cl CSC000161712 [0,3,0,0,0,0|1,0,0]=4 951 B13R1.18 CCCNC(=O)c1cccc(c1)F CSC000161782 [0,3,0,0,0,0|1,0,0]=4 952 B13R1.18 CCCNC(=O)c1cccc(c1)I CSC000152273 [0,3,0,0,0,0|1,0,0]=4 953 B13R1.18 CCCNC(=O)c1cccc(c1)O CSC000161701 [0,3,0,0,0,0|1,0,0]=4 954 B13R1.18 CCCOC(=O)c1cccc(c1)Cl CSC000170060 [0,3,0,0,0,0|1,0,0]=4 955 B13R1.18 Cc1cccc(c1)C(=O)NCCN CSC000743480 [0,3,0,0,0,0|0,0,0]=3 956 B13R1.18 Cc1cccc(c1)C(=O)NCCO CSC000158983 [0,3,0,0,0,0|0,0,0]=3 957 B13R1.18 NCCNC(=O)c1cccc(c1)F CSC011198460 [0,3,0,0,0,0|1,0,0]=4 958 B13R1.18 OCCNC(=O)c1cccc(c1)Cl CSC000158883 [0,3,0,0,0,0|1,0,0]=4 959 B13R1.18 OCCNC(=O)c1cccc(c1)F CSC000158978 [0,3,0,0,0,0|1,0,0]=4 960 B13R1.18 OCCNC(=O)c1cccc(c1)I CSC000158916 [0,3,0,0,0,0|1,0,0]=4 961 B13R1.446 CCNC(=O)c1cc(ccc1Br)F CSC000205872 [0,3,0,0,0,0|1,0,0]=4 962 B13R1.446 CCNC(=O)c1cc(ccc1C)C CSC000160160 [0,3,0,0,0,0|0,0,0]=3 963 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br CSC000155187 [0,3,0,0,0,0|1,0,0]=4 964 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl CSC000160153 [0,3,0,0,0,0|1,0,0]=4 965 B13R1.446 CCNC(=O)c1cc(ccc1F)F CSC000194127 [0,3,0,0,0,0|1,0,0]=4 966 B13R1.446 CCOC(=O)c1cc(ccc1Br)Br CSC012354135 [0,3,0,0,0,0|1,0,0]=4 967 B13R1.446 CCOC(=O)c1cc(ccc1Br)F CSC011206316 [0,3,0,0,0,0|1,0,0]=4 968 B13R1.446 CCOC(=O)c1cc(ccc1Br)I CSC012360513 [0,3,0,0,0,0|1,0,0]=4 969 B13R1.446 CCOC(=O)c1cc(ccc1C)Br CSC012257361 [0,3,0,0,0,0|1,0,0]=4 970 B13R1.446 CCOC(=O)c1cc(ccc1C)I CSC012360117 [0,3,0,0,0,0|1,0,0]=4 971 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Br CSC000170345 [0,3,0,0,0,0|1,0,0]=4 972 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl CSC000170266 [0,3,0,0,0,0|1,0,0]=4 973 B13R1.446 CCOC(=O)c1cc(ccc1Cl)F CSC012350807 [0,3,0,0,0,0|1,0,0]=4 974 B13R1.446 CCOC(=O)c1cc(ccc1Cl)I CSC012339456 [0,3,0,0,0,0|1,0,0]=4 975 B13R1.446 CCOC(=O)c1cc(ccc1Cl)N CSC000743451 [0,3,0,0,0,0|1,0,0]=4 976 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O CSC012359385 [0,3,0,0,0,0|1,0,0]=4 977 B13R1.446 CCOC(=O)c1cc(ccc1F)C CSC011692780 [0,3,0,0,0,0|0,0,0]=3 978 B13R1.446 CCOC(=O)c1cc(ccc1F)F CSC011212756 [0,3,0,0,0,0|1,0,0]=4 979 B13R1.446 CCOC(=O)c1cc(ccc1F)I CSC012350801 [0,3,0,0,0,0|1,0,0]=4 980 B13R1.446 CCOC(=O)c1cc(ccc1I)Br CSC000171027 [0,3,0,0,0,0|1,0,0]=4 981 B13R1.446 CCOC(=O)c1cc(ccc1N)C CSC011246167 [0,3,0,0,0,0|0,0,0]=3 982 B13R1.446 CCOC(=O)c1cc(ccc1N)Cl CSC000172376 [0,3,0,0,0,0|1,0,0]=4 983 B13R1.446 CCOC(=O)c1cc(ccc1O)Br CSC000174078 [0,3,0,0,0,0|1,0,0]=4 984 B13R1.446 CCOC(=O)c1cc(ccc1O)C CSC011212139 [0,3,0,0,0,0|0,0,0]=3 985 B13R1.446 CCOC(=O)c1cc(ccc1O)O CSC011934247 [0,3,0,0,0,0|1,0,0]=4 986 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl CSC000160154 [0,3,0,0,0,0|1,0,0]=4 987 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F CSC000160027 [0,3,0,0,0,0|1,0,0]=4 988 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)Cl CSC012359160 [0,3,0,0,0,0|1,0,0]=4 989 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)F CSC011295119 [0,3,0,0,0,0|1,0,0]=4 990 B13R1.450 CCOC(=O)c1cc(cc(c1)C)C CSC000170969 [0,3,0,0,0,0|0,0,0]=3 991 B13R1.450 CCOC(=O)c1cc(cc(c1)Cl)Cl CSC000170272 [0,3,0,0,0,0|1,0,0]=4 992 B13R1.450 CCOC(=O)c1cc(cc(c1)F)F CSC000171689 [0,3,0,0,0,0|1,0,0]=4 993 B13R1.450 CCOC(=O)c1cc(cc(c1)O)O CSC011827669 [0,3,0,0,0,0|1,0,0]=4 994 B13R1.460 CCNC(=O)c1cccc(c1)C#N CSC000160228 [0,3,0,0,0,0|0,0,1]=4 995 B13R1.460 CCNC(=O)c1cccc(c1)OC CSC000160140 [0,3,0,0,0,0|0,0,0]=3 996 B13R1.460 CCOC(=O)c1cccc(c1)OC CSC000170202 [0,3,0,0,0,0|0,0,0]=3 997 B13R1.82 COC(=O)c1cccc(c1C)OC CSC009849072 [0,3,0,0,0,0|0,0,0]=3 998 B13R1.82 COC(=O)c1cccc(c1O)OC CSC000148165 [0,3,0,0,0,0|0,0,0]=3 999 B13R1.1822 COC(=O)c1c(ccc(c1F)Br)F CSC000721510 [0,3,0,0,0,0|1,0,0]=4 1000 B13R1.1822 COC(=O)c1c(ccc(c1F)F)F CSC000082598 [0,3,0,0,0,0|1,0,0]=4 1001 B13R1.4789 COC(=O)c1cc(cc(c1N)Br)Cl CSC012074016 [0,3,0,0,0,0|1,0,0]=4 1002 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl CSC000757941 [0,3,0,0,0,0|1,0,0]=4 1003 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl CSC000159922 [0,3,0,0,0,0|1,0,0]=4 1004 B13R1.2209 COC(=O)c1cc(ccc1OC)Br CSC011203041 [0,3,0,0,0,0|1,0,0]=4 1005 B13R1.2431 COC(=O)c1cc(ccc1Br)OC CSC000151459 [0,3,0,0,0,0|0,0,0]=3 1006 B13R1.2431 COC(=O)c1cc(ccc1O)OC CSC000151008 [0,3,0,0,0,0|0,0,0]=3 1007 B13R1.2431 COc1ccc(c(c1)C(=O)NN)Br CSC000189949 [0,3,0,0,0,0|1,0,0]=4 1008 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O CSC011196067 [0,3,0,0,0,0|1,0,0]=4 1009 B13R1.314 COC(=O)c1cc(cc(c1)OC)Br CSC010233337 [0,3,0,0,0,0|0,0,0]=3 1010 B13R1.374 CCOc1cccc(c1)C(=O)NN CSC000034564 [0,3,0,0,0,0|1,0,0]=4 1011 B13R1.374 CCOc1cccc(c1)C(=O)OC CSC000171667 [0,3,0,0,0,0|0,0,0]=3 1012 B13R1.374 COC(=O)c1cccc(c1)CC#N CSC015953673 [0,3,0,0,0,0|0,0,0]=3 1013 B13R1.374 COCc1cccc(c1)C(=O)NN CSC000198691 [0,3,0,0,0,0|1,0,0]=4 1014 B13R1.374 COCc1cccc(c1)C(=O)OC CSC000198944 [0,3,0,0,0,0|0,0,0]=3 1015 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] CSC000159796 [0,3,0,0,0,0|1,0,0]=4 1016 B13R1.543 COC(=O)c1cccc(c1)C(=O)C CSC000092496 [0,3,0,0,0,0|0,0,0]=3 1017 B13R1.543 COC(=O)c1cccc(c1)N(C)C CSC000148937 [0,3,0,0,0,0|0,0,0]=3 1018 B13R1.126 Cc1cc(cc(c1)C(=O)N)C(=O)N CSC009961483 [0,3,0,0,0,0|1,0,0]=4 1019 B13R1.313 COc1cc(cc(c1)C(=O)N)OC CSC000162252 [0,3,0,0,0,0|1,0,0]=4 1020 B13R1.375 CCOc1cccc(c1)S(=O)(=O)C CSC000047931 [0,3,0,0,0,0|1,0,0]=4 1021 B13R1.141 CCOc1ccc(cc1C(=O)C)Br CSC000173016 [0,3,0,0,0,0|1,0,0]=4 1022 B13R1.141 CCOc1ccc(cc1C(=O)C)F CSC000173015 [0,3,0,0,0,0|1,0,0]=4 1023 B13R1.2430 COc1ccc(c(c1)C(=O)N)OC CSC000175735 [0,3,0,0,0,0|1,0,0]=4 1024 B13R1.568 CC(=O)c1cccc(c1)OCCO CSC011214353 [0,3,0,0,0,0|0,0,0]=3 1025 B13R1.568 CCCOc1cccc(c1)C(=O)C CSC000171660 [0,3,0,0,0,0|0,0,0]=3 1026 B13R1.568 CCCOc1cccc(c1)C(=O)N CSC011202318 [0,3,0,0,0,0|1,0,0]=4 1027 B11R1.25 COC(=O)C=Cc1cccs1 CSC000004362 [0,1,1,1,0,0|1,0,0]=4 1028 B13R2.43 CSc1nc2cc(ccc2[nH]1)C CSC000000315 [0,1,0,1,0,1|1,0,0]=4 1029 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 CSC011996518 [0,1,0,1,0,1|1,0,0]=4 1030 B13R2.430 NC(=O)c1ccc2c(c1)CCO2 CSC011236878 [0,2,0,1,0,0|1,0,0]=4 1031 B13R1.149 CC(=O)NN=Cc1cccc(c1)O CSC021659857 [0,0,0,0,0,3|1,0,0]=4 1032 B13R1.149 CC(=O)OCCc1cccc(c1)C CSC009866697 [0,0,0,0,0,3|0,0,0]=3 1033 B13R1.149 Cc1cccc(c1)C=NNC(=O)N CSC000163896 [0,0,0,0,0,3|1,0,0]=4