0 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.43 CC(=Cc1ccccc1)C(=O)Cl TS48005 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.43 CC(=Cc1ccccc1)[N+](=O)[O-] TS47017 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.43 CC(C(=O)C)Oc1ccccc1 TS11848 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 TS15388 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.43 CC(C(=O)Nc1ccccc1)Br TS24452 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.43 CC(C(=O)O)Oc1ccccc1 TS43044 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS42772 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS63486 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.43 C[C@@H](C(=O)O)Sc1ccccn1 TS15158 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.43 C[C@H](C(=O)N)Nc1ccccc1 TS42764 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.43 c1ccc(cc1)CC(C(=O)N)N TS38014 [0,0,0,0,0,0|2,0,2]=4 26 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br TS52786 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS43080 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.43 c1ccc(cc1)CC(C(=O)O)N TS55882 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.43 c1ccc(cc1)CC(C(=O)O)O TS43054 [0,0,0,0,0,0|2,0,2]=4 30 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS07935 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N TS38013 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N TS01531 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O TS56210 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS38015 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N TS42770 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br TS52787 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl TS15389 [0,0,0,0,0,0|2,0,2]=4 38 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N TS08006 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O TS12176 [0,0,0,0,0,0|2,0,2]=4 40 B12R1.43 c1ccc(cc1)NC(=N)S(=O)O TS15283 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [1,0,0,0,0,0|0,0,0]=1 43 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [1,0,0,0,0,0|0,0,2]=3 44 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [1,0,0,0,0,0|0,0,2]=3 46 B11R1.40 CC(Cc1ccccc1)NC TS07600 [1,0,0,0,0,0|1,0,2]=4 47 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [1,0,0,0,0,0|0,0,1]=2 48 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [1,0,0,0,0,0|0,0,3]=4 51 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [1,0,0,0,0,0|1,0,2]=4 57 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [1,0,0,0,0,0|1,0,2]=4 58 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.91 B(C=Cc1ccccc1)(O)O TS07400 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.91 CC(=C)COc1ccccc1 TS07455 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.91 CC(=NNc1ccccc1)C TS40667 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.91 CC(=O)C#Cc1ccccc1 TS39336 [1,0,0,0,0,0|0,0,2]=3 66 B11R1.91 CC(=O)C=Cc1ccccc1 TS07221 [1,0,0,0,0,0|0,0,0]=1 67 B11R1.91 CC(=O)C=Cc1ccccc1 TS93157 [1,0,0,0,0,0|0,0,0]=1 68 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [1,0,0,0,0,0|0,0,2]=3 69 B11R1.91 CC(=O)COc1ccccc1 TS40853 [1,0,0,0,0,0|1,0,1]=3 70 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [1,0,0,0,0,0|1,0,1]=3 71 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [1,0,0,0,0,0|1,0,1]=3 72 B11R1.91 CC(=O)NCc1cccnc1 TS40869 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.91 CC(=O)NNc1ccccc1 TS09877 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [1,0,0,0,0,0|1,0,1]=3 75 B11R1.91 CC(=O)OCc1ccccn1 TS41002 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.91 CC(=O)OCc1ccncc1 TS40990 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.91 CC(=O)O[Hg]c1ccccc1 TS64055 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.91 CC(=O)O[Hg]c1ccccn1 TS78341 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.91 CC(=O)SSc1ccccc1 TS74797 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.91 c1cc(cnc1)C=CC(=O)O TS40727 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.91 c1cc(cnc1)C=C[N+](=O)[O-] TS40824 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.91 c1ccc(cc1)C#CC(=O)O TS07173 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.91 c1ccc(cc1)C=CC(=O)Cl TS12314 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [1,0,0,0,0,0|1,0,0]=2 88 B11R1.91 c1ccc(cc1)C=CC(=O)O TS07414 [1,0,0,0,0,0|1,0,0]=2 89 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS45091 [1,0,0,0,0,0|1,0,0]=2 90 B11R1.91 c1ccc(cc1)C=CC(=O)[O-] TS48924 [1,0,0,0,0,0|1,0,0]=2 91 B11R1.91 c1ccc(cc1)C=C[N+](=O)[O-] TS40725 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [1,0,0,0,0,0|1,0,2]=4 93 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [1,0,0,0,0,0|1,0,2]=4 95 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [1,0,0,0,0,0|2,0,1]=4 99 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [1,0,0,0,0,0|2,0,1]=4 106 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.91 c1ccnc(c1)C=CC(=O)O TS07541 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.91 c1cnccc1C=CC(=O)O TS65059 [1,0,0,0,0,0|2,0,0]=3 110 B13R1.133 CC(=C)C(=O)Nc1ccc(cc1)Cl TS53562 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.133 CC(=C)C(=O)Nc1ccc(cc1)O TS46264 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.133 CC(=Cc1ccc(cc1)F)[N+](=O)[O-] TS48057 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)Cl TS19110 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.133 CC(C(=O)O)Oc1ccc(cc1)O TS48223 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.133 CC(C(=O)O)Sc1ccc(cc1)Cl TS49194 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O TS59386 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.133 c1cc(ccc1C=C(C(=O)O)S)I TS75881 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br TS39695 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Cl TS18730 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O TS03132 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.133 c1cc(ccc1N)NC(=O)C(=O)O TS47862 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.135 COC(=O)C(=C)Cc1ccccc1 TS46105 [0,1,0,0,0,0|0,0,2]=3 123 B13R1.135 COC(=O)C(Cc1ccccc1)N TS44744 [0,1,0,0,0,0|1,0,2]=4 124 B13R1.135 COC(=O)C(Cc1ccccc1)O TS14600 [0,1,0,0,0,0|1,0,2]=4 125 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N TS44743 [0,1,0,0,0,0|1,0,2]=4 126 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N TS21934 [0,1,0,0,0,0|1,0,2]=4 127 B13R1.135 COC(=O)[C@H](Cc1ccccc1)O TS47920 [0,1,0,0,0,0|1,0,2]=4 128 B13R1.135 c1ccc(cc1)C[C@@H](C(=O)CCl)N TS56421 [0,1,0,0,0,0|1,0,2]=4 129 B13R1.135 c1ccc(cc1)NC(=O)C(=O)NN TS14383 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.148 CC(C(=O)O)Oc1cccc(c1)Cl TS38005 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.148 Cc1cccc(c1)N[C@H](C)C(=O)O TS47723 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.152 CC(=O)C(C(c1ccccc1)Br)Br TS60548 [0,1,0,0,0,0|1,0,2]=4 133 B13R1.152 CC(C(=O)c1ccccc1)N(C)C TS44415 [0,1,0,0,0,0|2,0,1]=4 134 B13R1.152 c1ccc(cc1)C(=C(C(=O)O)Br)Br TS60541 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.152 c1ccc(cc1)C(=S)C(C(=O)O)S TS21362 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.202 CC(C(=O)O)Oc1ccccc1Cl TS19102 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.202 Cc1ccccc1C=C(C)[N+](=O)[O-] TS46267 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.202 Cc1ccccc1NC(C)C(=O)O TS14431 [0,1,0,0,0,0|2,0,1]=4 139 B13R1.202 Cc1ccccc1N[C@@H](C)C(=O)O TS14406 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.202 Cc1ccccc1OC(C)C(=O)O TS47911 [0,1,0,0,0,0|2,0,1]=4 141 B13R1.418 CCC(C(=O)O)Oc1ccccc1 TS47909 [0,1,0,0,0,0|2,0,1]=4 142 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS01607 [0,1,0,0,0,0|1,0,2]=4 143 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O TS21931 [0,1,0,0,0,0|1,0,2]=4 144 B13R1.418 c1cc(cnc1)C=C(C#N)C(=O)O TS13454 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)N TS39561 [0,1,0,0,0,0|1,0,1]=3 146 B13R1.418 c1ccc(cc1)C=C(C#N)C(=O)O TS13308 [0,1,0,0,0,0|1,0,1]=3 147 B13R1.1073 CC(C)(C(=O)O)Oc1ccccc1 TS14602 [0,1,0,0,0,0|2,0,1]=4 148 B13R1.1073 CC(Cc1ccccc1)(C(=O)O)N TS47742 [0,1,0,0,0,0|1,0,2]=4 149 B13R1.1073 C[C@@](Cc1ccccc1)(C(=O)O)O TS47921 [0,1,0,0,0,0|1,0,2]=4 150 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)N TS47730 [0,1,0,0,0,0|1,0,2]=4 151 B13R1.1073 C[C@](Cc1ccccc1)(C(=O)O)O TS14587 [0,1,0,0,0,0|1,0,2]=4 152 B13R2.369 CC1C(=O)Nc2ccccc2N1 TS32792 [0,0,0,1,0,0|2,0,1]=4 153 B13R2.369 CC1C(=O)Nc2ccccc2O1 TS42576 [0,0,0,1,0,0|2,0,1]=4 154 B13R2.369 CN1Cc2ccccc2NC1=O TS42461 [0,0,0,1,0,0|2,0,1]=4 155 B13R2.369 Cc1c(nc2ccccc2n1)C TS11009 [0,0,0,1,0,0|2,0,0]=3 156 B13R2.369 Cc1c(nc2ccccc2n1)Cl TS47634 [0,0,0,1,0,0|3,0,0]=4 157 B13R2.369 Cc1c(nc2ccccc2n1)N TS42053 [0,0,0,1,0,0|3,0,0]=4 158 B13R2.369 Cc1c(nc2ccccc2n1)O TS42151 [0,0,0,1,0,0|2,0,1]=4 159 B13R2.369 Cc1cc2c(cc1C)nccn2 TS41926 [0,0,0,1,0,0|3,0,0]=4 160 B13R2.369 Cc1cc2ccccc2cc1C TS10730 [0,0,0,1,0,0|1,0,0]=2 161 B13R2.369 Cc1cc2ccccc2nc1Br TS50053 [0,0,0,1,0,0|2,0,0]=3 162 B13R2.369 Cc1cc2ccccc2nc1Cl TS14104 [0,0,0,1,0,0|2,0,0]=3 163 B13R2.369 Cc1cc2ccccc2nc1N TS41930 [0,0,0,1,0,0|2,0,0]=3 164 B13R2.369 Cc1cc2ccccc2oc1=O TS42144 [0,0,0,1,0,0|1,0,0]=2 165 B13R2.369 Cc1cc2ccncc2cc1F TS32676 [0,0,0,1,0,0|2,0,1]=4 166 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(n2)N TS91753 [0,0,0,1,0,0|3,0,0]=4 167 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl TS47997 [0,0,0,1,0,0|2,0,0]=3 168 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N TS93636 [0,0,0,1,0,0|2,0,0]=3 169 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)O TS11498 [0,0,0,1,0,0|2,0,0]=3 170 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br TS89145 [0,0,0,1,0,0|3,0,0]=4 171 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br TS26916 [0,0,0,1,0,0|3,0,0]=4 172 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)O TS42536 [0,0,0,1,0,0|3,0,0]=4 173 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS54883 [0,0,0,1,0,0|2,0,1]=4 174 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br TS65622 [0,0,0,1,0,0|2,0,1]=4 175 B13R2.369 c1ccc2cc(c(cc2c1)Br)I TS63813 [0,0,0,1,0,0|2,0,1]=4 176 B13R2.369 c1ccc2cc(c(cc2c1)I)I TS80354 [0,0,0,1,0,0|2,0,1]=4 177 B13R2.369 c1ccc2cc(c(cc2c1)N)N TS00547 [0,0,0,1,0,0|2,0,1]=4 178 B13R2.369 c1ccc2cc(c(cc2c1)N)O TS11150 [0,0,0,1,0,0|1,0,2]=4 179 B13R2.369 c1ccc2cc(c(cc2c1)O)O TS59582 [0,0,0,1,0,0|1,0,2]=4 180 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)Cl TS48004 [0,0,0,1,0,0|1,0,2]=4 181 B13R2.423 c1ccc(cc1)[C@@H]2C[C@H]2C(=O)O TS85468 [0,0,0,1,0,0|1,0,2]=4 182 B13R2.435 CC(=O)c1[nH]c2ccccc2n1 TS11248 [0,0,0,1,0,0|2,0,0]=3 183 B13R2.435 CC(=O)c1cc2ccccc2o1 TS42132 [0,0,0,1,0,0|1,0,0]=2 184 B13R2.435 CC(=O)c1cc2ccccc2s1 TS08257 [0,0,0,1,0,0|1,0,0]=2 185 B13R2.435 CC(=O)c1nc2ccccc2s1 TS46299 [0,0,0,1,0,0|2,0,0]=3 186 B13R2.435 CC(c1cc2ccccc2s1)O TS47599 [0,0,0,1,0,0|1,0,2]=4 187 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 TS11510 [0,0,0,1,0,0|3,0,0]=4 188 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 TS85751 [0,0,0,1,0,0|3,0,0]=4 189 B13R2.435 c1cc2cc([nH]c2nc1)C(=O)O TS90332 [0,0,0,1,0,0|3,0,0]=4 190 B13R2.435 c1cc2cc(sc2nc1)C(=O)O TS47704 [0,0,0,1,0,0|3,0,0]=4 191 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O TS42457 [0,0,0,1,0,0|1,0,2]=4 192 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O TS46628 [0,0,0,1,0,0|2,0,1]=4 193 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O TS00574 [0,0,0,1,0,0|2,0,1]=4 194 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)Cl TS60211 [0,0,0,1,0,0|3,0,0]=4 195 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TS11516 [0,0,0,1,0,0|3,0,0]=4 196 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N TS39227 [0,0,0,1,0,0|2,0,0]=3 197 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O TS01488 [0,0,0,1,0,0|2,0,0]=3 198 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=S)N TS13891 [0,0,0,1,0,0|2,1,0]=4 199 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)Cl TS47998 [0,0,0,1,0,0|2,0,0]=3 200 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O TS55759 [0,0,0,1,0,0|2,0,0]=3 201 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl TS18374 [0,0,0,1,0,0|2,0,0]=3 202 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N TS32812 [0,0,0,1,0,0|2,0,0]=3 203 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O TS55753 [0,0,0,1,0,0|2,0,0]=3 204 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O TS42537 [0,0,0,1,0,0|3,0,0]=4 205 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)Cl TS53922 [0,0,0,1,0,0|3,0,0]=4 206 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O TS47709 [0,0,0,1,0,0|3,0,0]=4 207 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)N TS42289 [0,0,0,1,0,0|3,0,0]=4 208 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O TS02068 [0,0,0,1,0,0|3,0,0]=4 209 B13R2.435 c1ccn2cc(nc2c1)C(=O)O TS56186 [0,0,0,1,0,0|3,0,0]=4 210 B13R2.435 c1cncc2c1[nH]c(c2)C(=O)O TS42407 [0,0,0,1,0,0|3,0,0]=4 211 B13R2.435 c1cncc2c1cc([nH]2)C(=O)O TS42417 [0,0,0,1,0,0|3,0,0]=4 212 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,0,0,0,1,0|1,0,1]=3 213 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,0,0,0,1,0|2,0,1]=4 214 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,0,0,0,1,0|1,0,0]=2 215 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,0,0,0,1,0|1,0,1]=3 216 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,0,0,0,1,0|1,0,1]=3 217 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,0,0,0,1,0|2,0,1]=4 218 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,0,0,0,1,0|2,0,1]=4 219 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,0,0,0,1,0|2,0,1]=4 220 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,0,0,0,1,0|1,0,2]=4 221 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,0,0,0,1,0|1,0,1]=3 222 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,0,0,0,1,0|2,0,1]=4 223 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [0,0,0,0,1,0|3,0,0]=4 224 B11R1.36 CN(c1ccccc1)C(=O)Cl TS12717 [0,0,0,0,1,0|2,0,0]=3 225 B11R1.36 CN(c1ccccc1)C(=S)Cl TS15542 [0,0,0,0,1,0|2,1,0]=4 226 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,0,0,0,1,0|2,1,0]=4 227 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,0,0,0,1,0|1,0,1]=3 228 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,0,0,0,1,0|2,0,1]=4 229 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,0,0,0,1,0|1,0,1]=3 230 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,0,0,0,1,0|2,0,1]=4 231 B11R1.36 c1ccc(cc1)C(=C(F)Cl)F TS45863 [0,0,0,0,1,0|3,0,0]=4 232 B11R1.36 c1ccc(cc1)C(=C(F)F)F TS41858 [0,0,0,0,1,0|3,0,0]=4 233 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,0,0,0,1,0|2,0,0]=3 234 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,0,0,0,1,0|2,0,1]=4 235 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,0,0,0,1,0|2,0,1]=4 236 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,0,0,0,1,0|2,0,1]=4 237 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,0,0,0,1,0|2,0,1]=4 238 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,0,0,0,1,0|2,0,1]=4 239 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,0,0,0,1,0|2,0,1]=4 240 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,0,0,0,1,0|2,0,1]=4 241 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,0,0,0,1,0|2,0,1]=4 242 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,0,0,0,1,0|2,0,1]=4 243 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,0,0,0,1,0|2,0,1]=4 244 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,0,0,0,1,0|2,0,1]=4 245 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,0,0,0,1,0|2,0,1]=4 246 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,0,0,0,1,0|2,0,1]=4 247 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,0,0,0,1,0|2,0,1]=4 248 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,0,0,0,1,0|2,0,1]=4 249 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,0,0,0,1,0|2,0,1]=4 250 B13R1.348 CC(=CC(=O)C)Nc1ccccc1 TS09767 [0,0,0,0,0,1|1,0,0]=2 251 B13R1.348 CC(=Cc1ccccc1)CC(=O)N TS45978 [0,0,0,0,0,1|1,0,0]=2 252 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 TS13848 [0,0,0,0,0,1|1,0,1]=3 253 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 TS14035 [0,0,0,0,0,1|2,0,0]=3 254 B13R1.348 CC(Cc1ccccc1)OC(=O)C TS47556 [0,0,0,0,0,1|0,0,2]=3 255 B13R1.348 c1ccc(cc1)CC(=O)NC(=O)N TS47532 [0,0,0,0,0,1|2,0,1]=4 256 B13R1.348 c1ccc(cc1)NC(=O)CC(=O)O TS14374 [0,0,0,0,0,1|3,0,0]=4 257 B13R1.348 c1ccc(cc1)OC(=O)CC(=O)[O-] TS47858 [0,0,0,0,0,1|3,0,0]=4 258 B13R1.351 CC(=C)C(=O)NCc1ccccc1 TS45980 [0,0,0,0,0,1|2,0,1]=4 259 B13R1.351 CC(=C)C(=O)OCc1ccccc1 TS13863 [0,0,0,0,0,1|2,0,1]=4 260 B13R1.351 c1ccc(cc1)CCC(=O)C(=O)O TS47515 [0,0,0,0,0,1|2,0,1]=4 261 B10R1.17 C=CC=Cc1ccccc1 TS36510 [2,0,0,0,0,0|0,0,1]=3 262 B10R1.17 CC=CCc1ccccc1 TS36709 [2,0,0,0,0,0|0,0,1]=3 263 B10R1.17 CCC=Cc1ccccc1 TS36700 [2,0,0,0,0,0|0,0,1]=3 264 B10R1.17 CCN=Cc1ccccc1 TS05847 [2,0,0,0,0,0|1,0,1]=4 265 B10R1.17 COC=Cc1ccccc1 TS36842 [2,0,0,0,0,0|1,0,0]=3 266 B10R1.17 COC=Nc1ccccc1 TS36922 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [2,0,0,0,0,0|1,0,0]=3 268 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [2,0,0,0,0,0|0,0,2]=4 269 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [2,0,0,0,0,0|1,0,1]=4 270 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [2,0,0,0,0,0|0,0,0]=2 271 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [2,0,0,0,0,0|1,0,1]=4 272 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [2,0,0,0,0,0|1,0,1]=4 273 B10R1.17 c1ccc(cc1)C=CCO TS36831 [2,0,0,0,0,0|0,0,2]=4 274 B10R1.17 c1ccc(cc1)CCC=O TS01796 [2,0,0,0,0,0|0,0,2]=4 275 B10R1.17 c1ccc(cc1)CNC=O TS36937 [2,0,0,0,0,0|1,0,1]=4 276 B10R1.17 c1ccc(cc1)COC=O TS36984 [2,0,0,0,0,0|1,0,1]=4 277 B10R1.17 c1ccc(cc1)NNC=O TS06048 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.17 c1ccc(cc1)OCC=O TS36991 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [2,0,0,0,0,0|0,0,1]=3 280 B10R1.18 CC(=Cc1ccccc1)C TS36699 [2,0,0,0,0,0|0,0,0]=2 281 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [2,0,0,0,0,0|1,0,1]=4 283 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [2,0,0,0,0,0|0,0,1]=3 284 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [2,0,0,0,0,0|1,0,1]=4 287 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [2,0,0,0,0,0|1,0,0]=3 289 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [2,0,0,0,0,0|1,0,0]=3 294 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [2,0,0,0,0,0|1,1,0]=4 295 B10R1.18 CC(C)Cc1ccccc1 TS74509 [2,0,0,0,0,0|0,0,2]=4 296 B10R1.18 CC(C)Nc1ccccc1 TS56404 [2,0,0,0,0,0|1,0,1]=4 297 B10R1.18 CC(C)Sc1ccccc1 TS41201 [2,0,0,0,0,0|1,0,1]=4 298 B10R1.18 CN(C)Cc1ccccc1 TS06009 [2,0,0,0,0,0|1,0,1]=4 299 B10R1.18 CN(C)Cc1ccccc1 TS45394 [2,0,0,0,0,0|1,0,1]=4 300 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [2,0,0,0,0,0|0,1,1]=4 302 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [2,0,0,0,0,0|1,0,1]=4 303 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [2,0,0,0,0,0|1,0,1]=4 308 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [2,0,0,0,0,0|2,0,0]=4 309 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [2,0,0,0,0,0|2,0,0]=4 312 B12R1.34 CC(=NO)C(=O)c1ccccc1 TS42556 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.34 CC(C(=O)c1ccccc1)NC TS18909 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.34 COC(=O)C(=O)c1ccccc1 TS00234 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.194 CC(C)(Cc1ccccc1)C=O TS11594 [1,1,0,0,0,0|0,0,2]=4 316 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl TS47999 [1,1,0,0,0,0|0,0,0]=2 317 B12R1.21 CC(=O)C=Cc1ccc(cc1)F TS46721 [1,1,0,0,0,0|0,0,0]=2 318 B12R1.21 CC(=O)C=Cc1ccc(cc1)O TS11547 [1,1,0,0,0,0|0,0,0]=2 319 B12R1.21 CC(=O)CCc1ccc(cc1)Cl TS48370 [1,1,0,0,0,0|0,0,2]=4 320 B12R1.21 CC(=O)CCc1ccc(cc1)O TS11860 [1,1,0,0,0,0|0,0,2]=4 321 B12R1.21 CC(=O)CSc1ccc(cc1)Cl TS38024 [1,1,0,0,0,0|1,0,1]=4 322 B12R1.21 CC(=O)CSc1ccc(cc1)F TS15289 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.21 CC(=O)NCc1ccc(cc1)N TS11902 [1,1,0,0,0,0|1,0,1]=4 324 B12R1.21 CC(=O)OCc1ccc(cc1)Cl TS48659 [1,1,0,0,0,0|1,0,1]=4 325 B12R1.21 CC(=O)O[Hg]c1ccc(cc1)N TS64802 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.21 Cc1ccc(cc1)C=CC(=O)O TS42438 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.21 Cc1ccc(cc1)C=C[N+](=O)[O-] TS42567 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.21 Cc1ccc(cc1)COC(=O)C TS11893 [1,1,0,0,0,0|1,0,1]=4 329 B12R1.21 c1cc(ccc1C=CC(=O)Cl)Cl TS38030 [1,1,0,0,0,0|1,0,0]=3 330 B12R1.21 c1cc(ccc1C=CC(=O)N)Cl TS14846 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl TS48348 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.21 c1cc(ccc1C=CC(=O)O)F TS09125 [1,1,0,0,0,0|1,0,0]=3 333 B12R1.21 c1cc(ccc1C=CC(=O)O)I TS74409 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS32623 [1,1,0,0,0,0|1,0,0]=3 335 B12R1.21 c1cc(ccc1C=CC(=O)O)N TS37794 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.21 c1cc(ccc1C=CC(=O)O)O TS65687 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.21 c1cc(ccc1C=CN(=O)=O)O TS11993 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])Br TS52577 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])Cl TS15187 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.21 c1cc(ccc1C=C[N+](=O)[O-])F TS43186 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.27 CC(=NO)C=Cc1ccccc1 TS42315 [1,1,0,0,0,0|0,0,1]=3 342 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [1,1,0,0,0,0|0,0,2]=4 343 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [1,1,0,0,0,0|0,0,2]=4 346 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [1,1,0,0,0,0|0,0,0]=2 347 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [1,1,0,0,0,0|1,0,0]=3 348 B12R1.27 COC(=O)C=Cc1cncnc1 TS42707 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [1,1,0,0,0,0|0,0,2]=4 350 B12R1.27 COC(=O)COc1ccccc1 TS12178 [1,1,0,0,0,0|1,0,1]=4 351 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [1,1,0,0,0,0|1,0,1]=4 352 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [1,1,0,0,0,0|1,0,1]=4 353 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [1,1,0,0,0,0|1,0,1]=4 355 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [1,1,0,0,0,0|1,0,1]=4 356 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [1,1,0,0,0,0|1,0,1]=4 357 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [1,1,0,0,0,0|1,0,1]=4 361 B12R1.107 CC(=CC(=O)O)c1ccccc1 TS42432 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [1,1,0,0,0,0|0,0,1]=3 363 B12R1.107 CC(=O)CC(=O)c1ccccn1 TS42571 [1,1,0,0,0,0|1,0,1]=4 364 B12R1.107 CC(c1ccccc1)NC(=O)C TS11732 [1,1,0,0,0,0|1,0,1]=4 365 B12R1.107 CC(c1ccccc1)OC(=O)C TS39949 [1,1,0,0,0,0|1,0,1]=4 366 B12R1.107 C[C@@H](c1ccccc1)NC(=O)C TS11712 [1,1,0,0,0,0|1,0,1]=4 367 B12R1.107 C[C@H](c1ccccc1)NC(=O)C TS11718 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N TS11834 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.125 CC(=O)C=Cc1ccccc1Cl TS48001 [1,1,0,0,0,0|0,0,0]=2 370 B12R1.125 CC(=O)NCc1ccccc1Br TS24458 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.125 Cc1ccccc1C=CC(=O)Cl TS14696 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.125 Cc1ccccc1COC(=O)C TS42751 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.125 c1ccc(c(c1)C=CC(=O)Cl)Cl TS38031 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [1,1,0,0,0,0|1,0,0]=3 378 B12R1.125 c1ccc(c(c1)C=CN(=O)=O)Cl TS15189 [1,1,0,0,0,0|2,0,0]=4 379 B12R1.125 c1ccc(c(c1)C=C[N+](=O)[O-])F TS43185 [1,1,0,0,0,0|2,0,0]=4 380 B12R1.226 Cc1cccc(c1)C=CC(=O)Cl TS14697 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [1,1,0,0,0,0|1,0,0]=3 384 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.226 c1cc(cc(c1)F)C=C[N+](=O)[O-] TS43184 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.226 c1cc(cc(c1)O)C=C[N+](=O)[O-] TS11986 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.891 c1ccc(cc1)C=CP(=O)(Cl)Cl TS23222 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.891 c1ccc(cc1)C=CS(=O)(=O)Cl TS19485 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.891 c1ccc(cc1)C=CS(=O)(=O)N TS15157 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,1,0,0,1,0|1,0,0]=3 392 B12R1.20 CC(=O)N(C)c1ccc(cc1)N TS42768 [0,1,0,0,1,0|1,0,0]=3 393 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [0,1,0,0,1,0|1,0,1]=4 394 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [0,1,0,0,1,0|1,0,1]=4 395 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,1,0,0,1,0|2,0,0]=4 396 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [0,1,0,0,1,0|1,0,1]=4 397 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [0,1,0,0,1,0|2,0,0]=4 398 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,1,0,0,1,0|1,0,1]=4 399 B12R1.124 CC(c1ccccc1O)C(=O)O TS12173 [0,1,0,0,1,0|1,0,1]=4 400 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F TS12471 [0,1,0,0,1,0|2,0,0]=4 401 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [0,1,0,0,1,0|1,0,1]=4 402 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [0,1,0,0,1,0|1,0,1]=4 403 B12R1.253 CC(C)(c1ccccc1)C(=O)O TS01108 [0,1,0,0,1,0|1,0,1]=4 404 B12R1.253 CC(c1ccccc1)(C(=O)O)N TS12005 [0,1,0,0,1,0|1,0,1]=4 405 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O TS43029 [0,1,0,0,1,0|1,0,1]=4 406 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N TS12025 [0,1,0,0,1,0|1,0,1]=4 407 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O TS12161 [0,1,0,0,1,0|1,0,1]=4 408 B12R1.478 CC(=O)C(C#N)c1ccccc1 TS65634 [0,1,0,0,1,0|0,0,2]=4 409 B12R1.478 CCC(c1ccccc1)C(=O)Cl TS48366 [0,1,0,0,1,0|1,0,1]=4 410 B12R1.478 CCC(c1ccccc1)C(=O)N TS42598 [0,1,0,0,1,0|1,0,1]=4 411 B12R1.478 CCC(c1ccccc1)C(=O)O TS42761 [0,1,0,0,1,0|1,0,1]=4 412 B12R1.478 CCN(c1ccccc1)C(=O)C TS42596 [0,1,0,0,1,0|1,0,0]=3 413 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O TS42891 [0,1,0,0,1,0|1,0,1]=4 414 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,1,0,0,1,0|1,0,1]=4 415 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,1,0,0,1,0|1,0,1]=4 416 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,1,0,0,1,0|1,0,1]=4 417 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,1,0,0,1,0|1,0,1]=4 418 B12R1.478 c1ccc(cc1)C(=NO)C(=O)O TS11996 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.478 c1ccc(cc1)C(CO)C(=O)N TS34758 [0,1,0,0,1,0|1,0,1]=4 420 B12R1.478 c1ccc(cc1)C(CO)C(=O)O TS12203 [0,1,0,0,1,0|1,0,1]=4 421 B14R1.337 CC(=O)CC(=O)Nc1ccccc1Cl TS44078 [0,1,0,0,0,1|2,0,0]=4 422 B14R1.337 Cc1ccccc1NC(=O)CC(=O)C TS51309 [0,1,0,0,0,1|2,0,0]=4 423 B14R1.417 CC(=O)[ClH]C(=O)C(c1ccccc1)O TS44260 [0,1,0,0,0,1|1,0,1]=4 424 B14R1.417 CN(CC(=O)O)C(=O)c1ccccc1 TS17639 [0,1,0,0,0,1|2,0,0]=4 425 B14R1.425 CC(=O)C(C(=O)Nc1ccccc1)Cl TS44073 [0,1,0,0,0,1|2,0,0]=4 426 B14R1.425 CC(=O)N(C(=O)Cc1ccccc1)O TS17652 [0,1,0,0,0,1|1,0,1]=4 427 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Br TS28860 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.698 CC(=O)CC(=O)Nc1ccc(cc1)Cl TS21205 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.698 Cc1ccc(cc1)NC(=O)CC(=O)C TS17308 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 TS22889 [0,1,0,0,0,1|1,0,1]=4 431 B14R1.1485 CC(=O)OC(C)(C)Cc1ccccc1 TS17523 [0,1,0,0,0,1|0,0,2]=4 432 B14R1.415 CC(C(=O)C)NC(=O)c1ccccc1 TS17290 [0,1,0,0,0,1|0,0,1]=3 433 B14R1.415 CC(C(=O)O)NC(=O)c1ccccc1 TS17654 [0,1,0,0,0,1|1,0,1]=4 434 B14R1.415 CC(C(=O)O)OC(=O)c1ccccc1 TS17796 [0,1,0,0,0,1|1,0,1]=4 435 B14R1.415 CC(CC(=O)c1ccccc1)C(=O)O TS17475 [0,1,0,0,0,1|1,0,1]=4 436 B14R1.415 C[C@@H](C(=O)O)NC(=O)c1ccccc1 TS17644 [0,1,0,0,0,1|1,0,1]=4 437 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 TS17658 [0,1,0,0,0,1|1,0,1]=4 438 B14R1.756 C[C@@H](C(=O)OC)NCc1ccccc1 TS00224 [0,1,0,0,0,1|0,0,2]=4 439 B14R1.756 C[C@H](C(=O)OC)NCc1ccccc1 TS24794 [0,1,0,0,0,1|0,0,2]=4 440 B14R1.134 C[C@H](C(=O)OC)Oc1ccc(cc1)O TS53643 [0,2,0,0,0,0|1,0,1]=4 441 B14R1.536 Cc1ccc(cc1)C=C(C#N)C(=O)O TS49051 [0,2,0,0,0,0|1,0,1]=4 442 B14R1.536 c1cc(ccc1C=C(C#N)C(=O)O)Cl TS43352 [0,2,0,0,0,0|1,0,1]=4 443 B14R1.536 c1cc(ccc1C=C(C#N)C(=O)O)O TS50866 [0,2,0,0,0,0|1,0,1]=4 444 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 TS17635 [0,2,0,0,0,0|2,0,0]=4 445 B14R1.1031 CN[C@@H](Cc1ccccc1)C(=O)OC TS52907 [0,2,0,0,0,0|0,0,2]=4 446 B14R1.1031 COC(=O)C(=Cc1ccccc1)C#N TS39562 [0,2,0,0,0,0|0,0,1]=3 447 B14R1.1107 CC(Cc1ccccc1)(C(=O)OC)N TS24789 [0,2,0,0,0,0|0,0,2]=4 448 B14R1.542 c1cc(cc(c1)O)C=C(C#N)C(=O)O TS50879 [0,2,0,0,0,0|1,0,1]=4 449 B14R1.4257 Cc1cc(cc(c1)OC(C)C(=O)C)C TS17508 [0,2,0,0,0,0|1,0,1]=4 450 B14R1.1017 CC(=O)C(=NO)C(=O)c1ccccc1 TS17260 [0,2,0,0,0,0|1,0,0]=3 451 B14R1.3135 CC(=Cc1ccccc1OC)[N+](=O)[O-] TS51634 [0,2,0,0,0,0|2,0,0]=4 452 B14R1.4513 CC(=O)C(=Cc1ccccc1)C(=O)C TS50735 [0,2,0,0,0,0|0,0,0]=2 453 B14R1.4513 CC(=O)C(C(=O)C)Oc1ccccc1 TS51448 [0,2,0,0,0,0|1,0,1]=4 454 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [1,0,0,1,0,0|0,0,2]=4 455 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [1,0,0,1,0,0|1,0,0]=3 456 B12R2.18 Cc1c(c2ccccc2s1)Br TS60005 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [1,0,0,1,0,0|1,0,0]=3 458 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [1,0,0,1,0,0|1,0,0]=3 459 B12R2.18 Cc1cc2ccccc2n1C TS00349 [1,0,0,1,0,0|1,0,0]=3 460 B12R2.18 Cn1c2ccccc2cc1O TS07340 [1,0,0,1,0,0|2,0,0]=4 461 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [1,0,0,1,0,0|2,0,0]=4 462 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [1,0,0,1,0,0|1,0,1]=4 463 B12R2.24 Cc1cc2ccccc2cn1 TS02850 [1,0,0,1,0,0|1,0,1]=4 464 B12R2.24 Cc1cc2ccccc2nc1 TS06876 [1,0,0,1,0,0|1,0,0]=3 465 B12R2.24 Cc1ccc2c(c1)cccn2 TS01274 [1,0,0,1,0,0|1,0,1]=4 466 B12R2.24 Cc1ccc2ccccc2c1 TS06723 [1,0,0,1,0,0|0,0,1]=3 467 B12R2.24 Cc1ccc2ccccc2n1 TS00107 [1,0,0,1,0,0|1,0,1]=4 468 B12R2.24 Cc1ccc2ccccc2n1 TS26649 [1,0,0,1,0,0|1,0,1]=4 469 B12R2.24 Cc1ccc2ccccc2n1 TS26685 [1,0,0,1,0,0|1,0,1]=4 470 B12R2.24 Cc1ccc2cccnc2c1 TS55694 [1,0,0,1,0,0|1,0,1]=4 471 B12R2.24 Cc1ccc2cnccc2c1 TS39791 [1,0,0,1,0,0|1,0,1]=4 472 B12R2.24 Cc1cnc2ccccc2n1 TS40190 [1,0,0,1,0,0|2,0,0]=4 473 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [1,0,0,1,0,0|2,0,0]=4 474 B12R2.24 c1ccc2c(c1)cc(cn2)Br TS09500 [1,0,0,1,0,0|2,0,0]=4 475 B12R2.24 c1ccc2c(c1)cc(cn2)N TS02673 [1,0,0,1,0,0|2,0,0]=4 476 B12R2.24 c1ccc2c(c1)cc(cn2)O TS02804 [1,0,0,1,0,0|2,0,0]=4 477 B12R2.24 c1ccc2cc(ccc2c1)Br TS00852 [1,0,0,1,0,0|1,0,1]=4 478 B12R2.24 c1ccc2cc(ccc2c1)Cl TS11632 [1,0,0,1,0,0|1,0,1]=4 479 B12R2.24 c1ccc2cc(ccc2c1)F TS40407 [1,0,0,1,0,0|1,0,1]=4 480 B12R2.24 c1ccc2cc(ccc2c1)I TS63321 [1,0,0,1,0,0|1,0,1]=4 481 B12R2.24 c1ccc2cc(ccc2c1)N TS00813 [1,0,0,1,0,0|1,0,1]=4 482 B12R2.24 c1ccc2cc(ccc2c1)O TS39906 [1,0,0,1,0,0|1,0,1]=4 483 B12R2.24 c1ccc2cc(ccc2c1)S TS11296 [1,0,0,1,0,0|1,0,1]=4 484 B12R2.27 c1ccc(cc1)C2=NC2C=O TS07087 [1,0,0,1,0,0|1,0,1]=4 485 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [1,0,0,1,0,0|0,0,1]=3 486 B12R2.32 CCc1cc2ccccc2[nH]1 TS55313 [1,0,0,1,0,0|1,0,1]=4 487 B12R2.32 CCc1cc2ccccc2o1 TS07223 [1,0,0,1,0,0|1,0,1]=4 488 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 TS46961 [1,0,0,1,0,0|2,0,0]=4 489 B12R2.32 c1cc2cc([nH]c2nc1)C=O TS07190 [1,0,0,1,0,0|2,0,0]=4 490 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O TS46946 [1,0,0,1,0,0|2,0,0]=4 491 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [1,0,0,1,0,0|1,0,0]=3 492 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [1,0,0,1,0,0|1,0,0]=3 493 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [1,0,0,1,0,0|1,0,0]=3 494 B12R2.32 c1ccc2c(c1)nc(o2)C=O TS07300 [1,0,0,1,0,0|2,0,0]=4 495 B12R2.32 c1ccc2c(c1)nc(s2)C=O TS00363 [1,0,0,1,0,0|2,0,0]=4 496 B12R2.32 c1ccn2c(c1)cc(n2)C=O TS40399 [1,0,0,1,0,0|2,0,0]=4 497 B12R2.32 c1ccn2cc(nc2c1)C=O TS56185 [1,0,0,1,0,0|2,0,0]=4 498 B12R2.32 c1cncc2c1[nH]c(c2)C=O TS07191 [1,0,0,1,0,0|2,0,0]=4 499 B12R2.32 c1cncc2c1cc([nH]2)C=O TS40400 [1,0,0,1,0,0|2,0,0]=4 500 B12R2.22 c1ccc(cc1)C2CC(=O)C2 TS89513 [1,0,0,1,0,0|0,0,2]=4 501 B12R2.22 c1ccc(cc1)C2CC(=O)N2 TS40527 [1,0,0,1,0,0|1,0,1]=4 502 B12R2.2403 c1ccc2c(c1)C=CS2(=O)=O TS43093 [1,0,0,1,0,0|2,0,0]=4 503 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 TS87965 [0,0,0,1,0,1|1,0,1]=4 504 B14R2.19 c1ccc(cc1)NC2=NC(=O)CS2 TS17497 [0,0,0,1,0,1|2,0,0]=4 505 B14R2.598 Cc1c(nc(s1)N)c2ccccc2 TS17134 [0,0,0,1,0,1|2,0,0]=4 506 B14R2.598 Cc1cc(n(n1)c2ccccc2)C TS13195 [0,0,0,1,0,1|2,0,0]=4 507 B14R2.598 Cc1nc(c(s1)Br)c2ccccc2 TS28575 [0,0,0,1,0,1|2,0,0]=4 508 B14R2.598 c1ccc(cc1)C2=CC(=O)OC2=O TS45732 [0,0,0,1,0,1|1,0,1]=4 509 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O TS46049 [0,0,0,1,0,1|1,0,1]=4 510 B14R2.642 CC(=O)N1c2ccccc2CC1=O TS13661 [0,0,0,1,0,1|1,0,1]=4 511 B14R2.642 CC(=O)n1c2ccccc2oc1=O TS13979 [0,0,0,1,0,1|2,0,0]=4 512 B14R2.642 Cc1c(c2ccccc2[nH]1)C(=O)N TS45797 [0,0,0,1,0,1|2,0,0]=4 513 B14R2.642 Cc1c(c2ccccc2[nH]1)C(=O)O TS45937 [0,0,0,1,0,1|2,0,0]=4 514 B14R2.642 Cc1c(n2ccccc2n1)C(=O)C TS02617 [0,0,0,1,0,1|2,0,0]=4 515 B14R2.768 CC(=O)Nc1[nH]c2ccccc2n1 TS45954 [0,0,0,1,0,1|2,0,0]=4 516 B14R2.768 c1ccc2c(c1)CC(=CC(=O)O)C2 TS13501 [0,0,0,1,0,1|1,0,1]=4 517 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)N TS74507 [0,0,0,1,0,1|2,0,0]=4 518 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O TS01487 [0,0,0,1,0,1|2,0,0]=4 519 B14R2.260 CC1C(=O)OC(=N1)c2ccccc2 TS45942 [0,0,0,1,0,1|1,0,1]=4 520 B14R2.260 Cc1c(sc(n1)c2ccccc2)Br TS28577 [0,0,0,1,0,1|1,1,0]=4 521 B14R2.741 c1ccc2c(c1)ccc(c(=O)n2)I TS34501 [0,0,0,1,0,1|2,0,0]=4 522 B14R2.781 CC(=O)c1cc2ccccc2cn1 TS12999 [0,0,0,1,0,1|0,0,1]=3 523 B14R2.781 CC(=O)c1ccc2c(c1)cccn2 TS45301 [0,0,0,1,0,1|1,0,1]=4 524 B14R2.781 CC(=O)c1ccc2ccccc2c1 TS12814 [0,0,0,1,0,1|0,0,1]=3 525 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O TS13307 [0,0,0,1,0,1|1,0,1]=4 526 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O TS13306 [0,0,0,1,0,1|2,0,0]=4 527 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)[O-] TS18008 [0,0,0,1,0,1|2,0,0]=4 528 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)Cl TS17580 [0,0,0,1,0,1|2,0,0]=4 529 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O TS65648 [0,0,0,1,0,1|2,0,0]=4 530 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl TS65615 [0,0,0,1,0,1|1,0,1]=4 531 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N TS45309 [0,0,0,1,0,1|1,0,1]=4 532 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O TS45446 [0,0,0,1,0,1|1,0,1]=4 533 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] TS51763 [0,0,0,1,0,1|1,0,1]=4 534 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Br TS26303 [0,1,0,1,0,0|1,0,0]=3 535 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)Cl TS17968 [0,1,0,1,0,0|1,0,0]=3 536 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O TS13662 [0,1,0,1,0,0|2,0,0]=4 537 B14R2.4529 Cc1ccc2c(c1)cc(s2)C(=O)Cl TS21036 [0,1,0,1,0,0|2,0,0]=4 538 B14R2.4529 Cc1ccc2c(c1)cc(s2)C(=O)O TS17488 [0,1,0,1,0,0|2,0,0]=4 539 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br TS39537 [0,1,0,1,0,0|2,0,0]=4 540 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl TS08437 [0,1,0,1,0,0|2,0,0]=4 541 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F TS02275 [0,1,0,1,0,0|2,0,0]=4 542 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)O TS13990 [0,1,0,1,0,0|2,0,0]=4 543 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br TS54239 [0,1,0,1,0,0|2,0,0]=4 544 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br TS67956 [0,1,0,1,0,0|2,0,0]=4 545 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O TS16790 [0,1,0,1,0,0|2,0,0]=4 546 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)Cl TS68308 [0,1,0,1,0,0|2,0,0]=4 547 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O TS57490 [0,1,0,1,0,0|2,0,0]=4 548 B14R2.4529 c1cc2c(cc1Br)cc(s2)C(=O)Cl TS31054 [0,1,0,1,0,0|2,0,0]=4 549 B14R2.4529 c1cc2c(cc1Br)cc(s2)C(=O)O TS67957 [0,1,0,1,0,0|2,0,0]=4 550 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O TS53753 [0,1,0,1,0,0|2,0,0]=4 551 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O TS03320 [0,1,0,1,0,0|2,0,0]=4 552 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O TS03296 [0,1,0,1,0,0|2,0,0]=4 553 B14R2.4529 c1cc2c(cc1N)cc([nH]2)C(=O)O TS46082 [0,1,0,1,0,0|2,0,0]=4 554 B14R2.4529 c1cc2c(cc1N)cc(s2)C(=O)O TS17661 [0,1,0,1,0,0|2,0,0]=4 555 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O TS13993 [0,1,0,1,0,0|2,0,0]=4 556 B14R2.8239 Cc1c(nc2cc(ccc2n1)Cl)C TS51568 [0,1,0,1,0,0|2,0,0]=4 557 B14R2.8239 Cc1c(nc2cc(ccc2n1)N)C TS45661 [0,1,0,1,0,0|2,0,0]=4 558 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br TS28977 [0,1,0,1,0,0|2,0,0]=4 559 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl TS44111 [0,1,0,1,0,0|2,0,0]=4 560 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br TS56913 [0,1,0,1,0,0|2,0,0]=4 561 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C TS51381 [0,1,0,1,0,0|2,0,0]=4 562 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C TS13192 [0,1,0,1,0,0|2,0,0]=4 563 B14R2.8239 Cc1ccc2c(c1)nc(c(n2)C)C TS13200 [0,1,0,1,0,0|2,0,0]=4 564 B14R2.30 c1ccc(cc1)CC2CCCC2=O TS45814 [0,1,0,1,0,0|0,0,2]=4 565 B14R2.30 c1ccc(cc1)CN2CCCC2=O TS45979 [0,1,0,1,0,0|1,0,1]=4 566 B14R2.972 COC(=O)C1Cc2ccccc2N1 TS46274 [0,1,0,1,0,0|1,0,1]=4 567 B14R2.972 COC(=O)c1[nH]c2ccccc2n1 TS13829 [0,1,0,1,0,0|2,0,0]=4 568 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 TS89273 [0,1,0,1,0,0|2,0,0]=4 569 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 TS45932 [0,1,0,1,0,0|1,0,0]=3 570 B14R2.972 COC(=O)c1cc2ccccc2s1 TS17487 [0,1,0,1,0,0|1,0,0]=3 571 B14R2.972 COC(=O)c1cc2cccnc2[nH]1 TS89595 [0,1,0,1,0,0|2,0,0]=4 572 B14R2.972 c1ccc2c(c1)cc([nH]2)C(=O)NN TS45951 [0,1,0,1,0,0|2,0,0]=4 573 B14R2.972 c1ccc2c(c1)cc(o2)C(=O)CBr TS57191 [0,1,0,1,0,0|1,0,0]=3 574 B14R2.972 c1ccc2c(c1)cc(s2)C(=O)NN TS17503 [0,1,0,1,0,0|2,0,0]=4 575 B14R2.972 c1ccc2c(c1)nc(s2)C(=O)CBr TS28870 [0,1,0,1,0,0|2,0,0]=4 576 B14R2.1128 CCc1cc2ccccc2nc1Cl TS17387 [0,1,0,1,0,0|2,0,0]=4 577 B14R2.1128 CCc1cc2ccccc2nc1O TS45632 [0,1,0,1,0,0|1,0,1]=4 578 B14R2.1128 Cc1c(nc2ccccc2n1)C=O TS13154 [0,1,0,1,0,0|2,0,0]=4 579 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr TS26305 [0,1,0,1,0,0|2,0,0]=4 580 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N TS12794 [0,1,0,1,0,0|1,0,1]=4 581 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O TS09408 [0,1,0,1,0,0|1,0,1]=4 582 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)CO TS45929 [0,1,0,1,0,0|1,0,0]=3 583 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N TS12976 [0,1,0,1,0,0|1,0,1]=4 584 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl TS44112 [0,1,0,1,0,0|2,0,0]=4 585 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CO TS51709 [0,1,0,1,0,0|2,0,0]=4 586 B14R2.4514 Cc1c(c(no1)c2ccccc2)I TS34804 [0,1,0,1,0,0|1,0,1]=4 587 B14R2.4514 Cc1c(c(no1)c2ccccc2)N TS45794 [0,1,0,1,0,0|1,0,1]=4 588 B14R2.8188 Cc1c(c(c2ccccc2n1)N)Br TS56911 [0,1,0,1,0,0|2,0,0]=4 589 B14R2.8188 Cc1c(c2ccccc2nc1Cl)Cl TS44116 [0,1,0,1,0,0|2,0,0]=4 590 B14R2.8188 Cc1cc2ccccc2c(c1C)C TS12868 [0,1,0,1,0,0|1,0,0]=3 591 B14R2.8188 c1ccc2c(c1)c(c(c(=O)[nH]2)Cl)O TS18125 [0,1,0,1,0,0|2,0,0]=4 592 B14R2.9592 CC(=Cc1ccccc1)C2(CC2)N TS13395 [0,1,0,1,0,0|1,0,1]=4 593 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O TS46063 [0,1,0,1,0,0|1,0,0]=3 594 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)O TS13659 [0,1,0,1,0,0|2,0,0]=4 595 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)O TS07814 [0,1,0,1,0,0|2,0,0]=4 596 B14R2.7969 c1cc(c2cc(sc2c1)C(=O)O)F TS18227 [0,1,0,1,0,0|2,0,0]=4 597 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Br TS70939 [0,1,0,1,0,0|2,0,0]=4 598 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl TS18129 [0,1,0,1,0,0|2,0,0]=4 599 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)F TS39507 [0,1,0,1,0,0|2,0,0]=4 600 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br TS67958 [0,1,0,1,0,0|2,0,0]=4 601 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl TS44268 [0,1,0,1,0,0|2,0,0]=4 602 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)I TS74909 [0,1,0,1,0,0|2,0,0]=4 603 B14R2.7969 c1cc2cc([nH]c2c(c1)Br)C(=O)O TS55656 [0,1,0,1,0,0|2,0,0]=4 604 B14R2.7969 c1cc2cc([nH]c2c(c1)N)C(=O)O TS13805 [0,1,0,1,0,0|2,0,0]=4 605 B14R2.7969 c1cc2cc([nH]c2c(c1)O)C(=O)O TS13988 [0,1,0,1,0,0|2,0,0]=4 606 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O TS90079 [0,1,0,1,0,0|2,0,0]=4 607 B14R2.28472 Cc1cc2c(ccnc2cc1C)O TS13361 [0,1,0,1,0,0|2,0,0]=4 608 B14R2.28472 Cc1cccc2c1cc(c(c2)C)C TS45179 [0,1,0,1,0,0|1,0,0]=3 609 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl TS51382 [0,1,0,1,0,0|2,0,0]=4 610 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N TS13199 [0,1,0,1,0,0|2,0,0]=4 611 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O TS13486 [0,1,0,1,0,0|1,0,0]=3 612 B14R2.450 Cc1c2ccccc2[nH]c1C(=O)O TS13673 [0,1,0,1,0,0|2,0,0]=4 613 B14R2.450 Cc1c2ccccc2oc1C(=O)Cl TS17966 [0,1,0,1,0,0|2,0,0]=4 614 B14R2.450 Cc1c2ccccc2oc1C(=O)O TS02842 [0,1,0,1,0,0|2,0,0]=4 615 B14R2.450 Cc1c2ccccc2sc1C(=O)C TS51148 [0,1,0,1,0,0|1,0,0]=3 616 B14R2.450 Cc1c2ccccc2sc1C(=O)O TS17490 [0,1,0,1,0,0|2,0,0]=4 617 B14R2.450 Cn1c2ccccc2cc1C(=O)N TS45789 [0,1,0,1,0,0|1,0,0]=3 618 B14R2.450 Cn1c2ccccc2cc1C(=O)O TS00473 [0,1,0,1,0,0|1,0,0]=3 619 B14R2.450 Cn1c2ccccc2nc1C(=O)O TS08696 [0,1,0,1,0,0|2,0,0]=4 620 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)I TS54989 [0,1,0,1,0,0|2,0,0]=4 621 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)O TS46246 [0,1,0,1,0,0|2,0,0]=4 622 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)Cl)Cl TS25026 [0,1,0,1,0,0|2,0,0]=4 623 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)N)Cl TS21206 [0,1,0,1,0,0|2,0,0]=4 624 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Br TS67960 [0,1,0,1,0,0|2,0,0]=4 625 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl TS02714 [0,1,0,1,0,0|2,0,0]=4 626 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)N TS51650 [0,1,0,1,0,0|2,0,0]=4 627 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,0,0,0,1,0|2,0,0]=4 628 B10R1.15 CC(=NO)c1ccccc1 TS36930 [1,0,0,0,1,0|1,0,1]=4 629 B10R1.15 CC=C(C)c1ccccc1 TS36697 [1,0,0,0,1,0|0,0,0]=2 630 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,0,0,0,1,0|0,0,2]=4 631 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,0,0,0,1,0|1,0,1]=4 632 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,0,0,0,1,0|0,0,2]=4 633 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,0,0,0,1,0|1,0,1]=4 634 B10R1.15 CN(C=O)c1ccccc1 TS36925 [1,0,0,0,1,0|1,0,0]=3 635 B10R1.15 CN(C=O)c1ccccn1 TS06069 [1,0,0,0,1,0|2,0,0]=4 636 B10R1.15 CN(c1ccccc1)N=O TS06063 [1,0,0,0,1,0|2,0,0]=4 637 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,0,0,0,1,0|2,0,0]=4 638 B10R1.15 COC(=N)c1ccccc1 TS45386 [1,0,0,0,1,0|2,0,0]=4 639 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,0,0,0,1,0|2,0,0]=4 640 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,0,0,0,1,0|1,0,1]=4 641 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,0,0,0,1,0|1,0,1]=4 642 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [1,0,0,0,1,0|2,0,0]=4 643 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [1,0,0,0,1,0|1,0,0]=3 644 B10R1.66 CC(=O)C=Cc1ccco1 TS70735 [1,0,0,0,1,0|1,0,0]=3 645 B10R1.66 CC(=O)C=Cc1cccs1 TS41166 [1,0,0,0,1,0|1,0,0]=3 646 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [1,0,0,0,1,0|2,0,0]=4 647 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [1,0,0,0,1,0|2,0,0]=4 648 B10R1.66 c1cc(sc1)C=CC(=O)Cl TS45576 [1,0,0,0,1,0|2,0,0]=4 649 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [1,0,0,0,1,0|2,0,0]=4 650 B10R1.66 c1cocc1C=CC(=O)O TS06234 [1,0,0,0,1,0|2,0,0]=4 651 B10R1.66 c1cscc1C=CC(=O)Cl TS45575 [1,0,0,0,1,0|2,0,0]=4 652 B10R1.66 c1cscc1C=CC(=O)O TS41388 [1,0,0,0,1,0|2,0,0]=4 653 B12R1.252 CC(=O)C=NNc1ccccc1 TS11572 [1,0,0,0,0,1|1,0,0]=3 654 B12R1.252 CC(=O)CSCc1ccccc1 TS14651 [1,0,0,0,0,1|0,0,2]=4 655 B12R1.252 CC(=O)NCCc1ccccc1 TS42602 [1,0,0,0,0,1|0,0,2]=4 656 B12R1.252 CC(=O)OCCc1ccccc1 TS11854 [1,0,0,0,0,1|0,0,2]=4 657 B12R1.252 c1ccc(cc1)C=CCC(=O)O TS11546 [1,0,0,0,0,1|1,0,0]=3 658 B14R1.818 CC(=CC(=O)C)NCc1ccccc1 TS50961 [0,0,0,0,0,2|0,0,1]=3 659 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 TS85301 [0,0,0,0,0,2|1,0,1]=4