0 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 Cn1c2ccccc2nc1Br H60075 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.18 Cn1c2ccccc2nc1Cl H63559 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,0,0,0|1,0,1]=2 5 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 B1(c2ccccc2CO1)O L15192 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 C[n+]1csc2c1cccc2 L04837 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.1 Cc1csc2c1cccc2 A15772 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 Cn1c2ccccc2nn1 L00297 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.1 Cn1ccc2c1cccc2 A12605 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 Cn1cnc2c1cccc2 B25472 [1,0,0,0,0,0|1,0,1]=3 13 B11R2.1 c1cc2c(c[nH]c2nc1)Br H66137 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 c1cc2c(c[nH]c2nc1)I H59457 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [1,0,0,0,0,0|2,0,0]=3 17 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [1,0,0,0,0,0|1,0,1]=3 22 B11R2.10 Cc1[nH]c2ccncc2n1 L19131 [1,0,0,0,0,0|2,0,1]=4 23 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.10 Cc1cc2ccccc2s1 H32224 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.10 Cc1nc2ccccc2o1 A13198 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.10 Cc1nc2ccccc2s1 A13427 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [1,0,0,0,0,0|2,0,0]=3 28 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [1,0,0,0,0,0|2,0,0]=3 30 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [1,0,0,0,0,0|1,0,0]=2 31 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [1,0,0,0,0,0|2,0,0]=3 32 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [1,0,0,0,0,0|1,0,0]=2 33 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [1,0,0,0,0,0|1,0,1]=3 34 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [1,0,0,0,0,0|1,0,1]=3 35 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [1,0,0,0,0,0|1,0,1]=3 36 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [1,0,0,0,0,0|0,0,2]=3 37 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [1,0,0,0,0,0|0,1,1]=3 38 B11R2.10 c1ccc2c(c1)nc(o2)Cl L07981 [1,0,0,0,0,0|2,0,1]=4 39 B11R2.10 c1ccc2c(c1)nc(o2)S A12346 [1,0,0,0,0,0|1,1,1]=4 40 B11R2.10 c1ccc2c(c1)nc(s2)Br H63286 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.10 c1ccc2c(c1)nc(s2)Cl A17762 [1,0,0,0,0,0|2,0,1]=4 42 B11R2.10 c1ccc2c(c1)nc(s2)F L19316 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [1,0,0,0,0,0|1,0,2]=4 45 B11R2.10 c1ccc2c(c1)nc(s2)S A14086 [1,0,0,0,0,0|1,1,1]=4 46 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.45 Cc1c2ccccc2sc1C=O A11375 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.45 Cn/1c2ccccc2s\c1=N\N A16317 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.45 Cn/1c2ccccc2s\c1=N\N H56061 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.45 Cn1c2ccccc2nc1C=O B25601 [0,1,0,0,0,0|1,0,1]=3 51 B13R2.135 c1ccc2c(c1)\C(=N\O)\C(=O)N2 B22732 [0,1,0,0,0,0|1,0,0]=2 52 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O H34381 [0,1,0,0,0,0|2,0,1]=4 53 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,1,0,0,0,0|1,0,1]=3 54 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,1,0,0,0,0|1,0,1]=3 55 B13R2.3028 c1cc2c(cc1Br)C(C(=O)N2)O A15869 [0,1,0,0,0,0|1,0,0]=2 56 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,1,0,0,0,0|1,0,1]=3 57 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,1,0,0,0,0|1,0,1]=3 58 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,1,0,0,0,0|1,0,1]=3 59 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,1,0,0,0,0|1,0,1]=3 60 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O 43846 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.3085 c1ccc2c(c1)c(=O)c(=O)c2=O A10409 [0,1,0,0,0,0|2,0,1]=4 62 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O H32843 [0,1,0,0,0,0|1,0,1]=3 63 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O H55594 [0,1,0,0,0,0|1,0,1]=3 64 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O H26827 [0,1,0,0,0,0|1,0,1]=3 65 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O H52344 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,0,1,0,0,0|3,0,0]=4 67 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,0,1,0,0,0|3,0,0]=4 68 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [0,0,1,0,0,0|1,1,0]=3 69 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,0,1,0,0,0|3,0,0]=4 71 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,0,1,0,0,0|2,0,1]=4 72 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,0,1,0,0,0|1,0,0]=2 73 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,0,1,0,0,0|3,0,0]=4 75 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,0,1,0,0,0|2,0,0]=3 76 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,0,1,0,0,0|3,0,0]=4 77 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,0,1,0,0,0|2,0,0]=3 78 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,0,1,0,0,0|3,0,0]=4 79 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,0,1,0,0,0|3,0,0]=4 80 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,0,1,0,0,0|2,0,0]=3 81 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,0,1,0,0,0|2,0,0]=3 82 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,0,1,0,0,0|2,0,0]=3 83 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [0,0,1,0,0,0|3,0,0]=4 84 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,0,1,0,0,0|2,0,0]=3 85 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,0,1,0,0,0|3,0,0]=4 87 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,0,1,0,0,0|3,0,0]=4 88 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [0,0,1,0,0,0|2,0,1]=4 89 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,0,1,0,0,0|1,0,0]=2 90 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,0,1,0,0,0|1,1,0]=3 91 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,0,1,0,0,0|3,0,0]=4 92 B13R2.32 CN1c2ccccc2OCC1=O H27196 [0,0,0,0,0,1|2,0,0]=3 93 B13R2.32 Cn1c2ccccc2ccc1=O L09410 [0,0,0,0,0,1|2,0,0]=3 94 B13R2.32 c1ccc2c(c1)C=CC(=S)C2O A12125 [0,0,0,0,0,1|2,1,0]=4 95 B13R2.32 c1ccc2c(c1)ccc(c2O)Br H66429 [0,0,0,0,0,1|3,0,0]=4 96 B13R2.328 Cc1cc(c2ccccc2n1)O A14587 [0,0,0,0,0,1|2,0,1]=4 97 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,0,0,0,0,1|2,0,1]=4 98 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,0,0,0,0,1|1,0,1]=3 99 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O A14394 [0,0,0,0,0,1|2,0,0]=3 100 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O L12760 [0,0,0,0,0,1|2,0,1]=4 101 B13R2.328 c1ccc2c(c1)c(cc(n2)O)O B20747 [0,0,0,0,0,1|1,0,2]=4 102 B13R2.328 c1ccc2c(c1)cc(cc2O)O A17739 [0,0,0,0,0,1|2,0,1]=4 103 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,0,0,0,0,1|2,0,0]=3 104 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,0,0,0,0,1|2,0,0]=3 105 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [0,0,0,0,0,1|2,0,0]=3 106 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [0,0,0,0,0,1|3,0,0]=4 107 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [0,0,0,0,0,1|3,0,0]=4 108 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [0,0,0,0,0,1|1,0,2]=4 109 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [0,0,0,0,0,1|3,0,0]=4 110 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,0,1,0,0,0|1,0,0]=3 113 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,0,1,0,0,0|1,0,1]=4 114 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,0,1,0,0,0|1,0,1]=4 115 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [1,0,1,0,0,0|1,0,1]=4 116 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,0,1,0,0,0|1,0,1]=4 117 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,0,1,0,0,0|1,0,1]=4 118 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,0,1,0,0,0|1,0,0]=3 119 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,0,1,0,0,0|2,0,0]=4 122 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,0,1,0,0,0|2,0,0]=4 123 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [1,0,1,0,0,0|2,0,0]=4 124 B10R1.18 c1cc(cnc1)NC(=S)N L01284 [1,0,1,0,0,0|1,1,0]=4 125 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,0,1,0,0,0|1,0,0]=3 127 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,0,1,0,0,0|1,0,0]=3 128 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,0,1,0,0,0|1,1,0]=4 129 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,0,1,0,0,0|0,0,0]=2 130 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,0,1,0,0,0|0,1,0]=3 131 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [1,0,1,0,0,0|2,0,0]=4 132 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,0,1,0,0,0|1,0,0]=3 133 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,0,1,0,0,0|2,0,0]=4 134 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [1,0,1,0,0,0|2,0,0]=4 135 B10R1.18 c1ccnc(c1)NC(=S)N L11465 [1,0,1,0,0,0|1,1,0]=4 136 B10R1.18 c1cnccc1CC(=O)N B24734 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.18 c1cnccc1CC(=O)O A14348 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.18 c1cnccc1NC(=S)N L09925 [1,0,1,0,0,0|1,1,0]=4 139 B10R1.17 c1ccc(cc1)NCCO B22131 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.4 C=CCc1ccccc1O A10755 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.4 Cc1ccccc1NC=O B25134 [1,0,1,0,0,0|1,0,0]=3 143 B10R1.20 COc1ccccc1C=O A10770 [1,0,1,0,0,0|2,0,0]=4 144 B10R1.20 c1ccc(c(c1)C=O)C#N H29027 [1,0,1,0,0,0|2,0,0]=4 145 B10R1.20 c1ccc(c(c1)C=O)C=O A13299 [1,0,1,0,0,0|1,0,1]=4 146 B10R1.61 B(c1ccccc1N)(O)O L18069 [1,0,1,0,0,0|1,0,1]=4 147 B10R1.61 CC(=O)c1ccccc1N A10895 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.61 Cc1ccccc1C(=O)O A13856 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [1,0,1,0,0,0|2,0,0]=4 152 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [1,0,1,0,0,0|2,0,0]=4 153 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [1,0,1,0,0,0|1,0,0]=3 157 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [1,0,1,0,0,0|0,0,2]=4 161 B10R1.61 c1cncc(c1C(=O)O)N H28714 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.61 c1cncc(c1N)C(=O)O H50032 [1,0,1,0,0,0|2,0,0]=4 163 B10R2.7 c1c[nH]c2c1ccnc2 H64458 [2,0,0,0,0,0|2,0,0]=4 164 B10R2.7 c1c[nH]c2c1cncc2 H64272 [2,0,0,0,0,0|2,0,0]=4 165 B10R2.7 c1cc2c(cc[nH]2)nc1 H64224 [2,0,0,0,0,0|2,0,0]=4 166 B10R2.7 c1cc2c(nc1)nc[nH]2 B25051 [2,0,0,0,0,0|1,0,1]=4 167 B10R2.7 c1cc2cc[nH]c2nc1 L07983 [2,0,0,0,0,0|2,0,0]=4 168 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [2,0,0,0,0,0|2,0,0]=4 169 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [2,0,0,0,0,0|2,0,0]=4 170 B10R2.7 c1ccc2c(c1)CCN2 A11000 [2,0,0,0,0,0|1,0,1]=4 171 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [2,0,0,0,0,0|0,0,1]=3 172 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [2,0,0,0,0,0|1,0,1]=4 173 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [2,0,0,0,0,0|1,0,0]=3 174 B10R2.7 c1ccc2c(c1)cco2 A15225 [2,0,0,0,0,0|2,0,0]=4 175 B10R2.7 c1ccc2c(c1)ccs2 A12328 [2,0,0,0,0,0|2,0,0]=4 176 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [2,0,0,0,0,0|2,0,0]=4 177 B10R2.7 c1ccc2c(c1)nco2 A17489 [2,0,0,0,0,0|1,0,1]=4 178 B10R2.7 c1ccc2c(c1)ncs2 A10380 [2,0,0,0,0,0|1,0,1]=4 179 B10R2.7 c1ccc2c(c1)sc[s+]2 H55403 [2,0,0,0,0,0|2,0,0]=4 180 B10R2.7 c1cncc2c1[nH]cn2 L06930 [2,0,0,0,0,0|1,0,1]=4 181 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,1,1,0,0,0|2,0,0]=4 182 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br A12978 [0,1,1,0,0,0|2,0,0]=4 183 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,1,1,0,0,0|2,0,0]=4 184 B12R1.20 c1cc(ccc1C(C(=O)O)O)F A13391 [0,1,1,0,0,0|2,0,0]=4 185 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,1,1,0,0,0|2,0,0]=4 186 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,1,1,0,0,0|2,0,0]=4 187 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,1,1,0,0,0|2,0,0]=4 188 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,1,1,0,0,0|2,0,0]=4 189 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,1,1,0,0,0|1,0,0]=3 190 B12R1.34 c1ccc(cc1)C(\C(=N\O)\N)O H58446 [0,1,1,0,0,0|1,0,1]=4 191 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,1,1,0,0,0|2,0,0]=4 193 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F B25689 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,1,1,0,0,0|2,0,0]=4 195 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O B24937 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.253 CC(c1ccccc1)(C(=O)O)O L07851 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O L08644 [0,1,1,0,0,0|2,0,0]=4 199 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O L08692 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,1,1,0,0,0|2,0,0]=4 201 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,1,1,0,0,0|2,0,0]=4 202 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,1,1,0,0,0|2,0,0]=4 203 B12R1.478 c1ccc(cc1)C(CO)C(=O)O B22040 [0,1,1,0,0,0|2,0,0]=4 204 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,1,1,0,0,0|2,0,0]=4 205 B12R1.49 Cc1ccc(cc1)NC(=S)NN L11268 [0,1,1,0,0,0|1,1,0]=4 206 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.49 c1cc(ccc1NC(=S)NN)Cl L12657 [0,1,1,0,0,0|1,1,0]=4 208 B12R1.49 c1cc(ccc1NC(=S)NN)F L09482 [0,1,1,0,0,0|1,1,0]=4 209 B12R1.50 c1cc(cc(c1)Cl)NC(=S)NN L11610 [0,1,1,0,0,0|1,1,0]=4 210 B12R1.50 c1cc(cc(c1)F)NC(=S)NN L11652 [0,1,1,0,0,0|1,1,0]=4 211 B12R1.371 Cc1ccccc1NC(=S)NN L09382 [0,1,1,0,0,0|1,1,0]=4 212 B12R1.371 c1ccc(c(c1)NC(=S)NN)Cl L12249 [0,1,1,0,0,0|1,1,0]=4 213 B12R1.371 c1ccc(c(c1)NC(=S)NN)F L12920 [0,1,1,0,0,0|1,1,0]=4 214 B12R2.1 c1ccc2c(c1)c(c[nH]2)C#N A16041 [1,1,0,0,0,0|2,0,0]=4 215 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [1,1,0,0,0,0|1,0,1]=4 216 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [1,1,0,0,0,0|1,0,0]=3 217 B12R2.196 Cn1ccc2c1cccc2Br H66535 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.203 Cc1c[nH]c2c1c(ccc2)Br H37430 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.612 Cn1cnc2c1ccc(c2)N H66465 [1,1,0,0,0,0|1,0,1]=4 220 B12R2.32 CSc1[nH]c2ccccc2n1 A10686 [1,1,0,0,0,0|0,1,1]=4 221 B12R2.32 c1ccc2c(c1)[nH]c(n2)CCl B25548 [1,1,0,0,0,0|1,0,1]=4 222 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN L07440 [1,1,0,0,0,0|1,0,1]=4 223 B12R2.32 c1ccc2c(c1)cc([nH]2)C#N H66451 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [1,1,0,0,0,0|1,0,0]=3 225 B12R2.32 c1ccc2c(c1)cc([nH]2)CN H54281 [1,1,0,0,0,0|2,0,0]=4 226 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [1,1,0,0,0,0|2,0,0]=4 228 B12R2.32 c1ccc2c(c1)nc(s2)C=O H26122 [1,1,0,0,0,0|1,0,1]=4 229 B12R2.202 Cc1cc2c([nH]1)cccc2O H54770 [1,1,0,0,0,0|2,0,0]=4 230 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [1,1,0,0,0,0|1,0,0]=3 231 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [1,1,0,0,0,0|1,0,0]=3 232 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [1,1,0,0,0,0|1,0,0]=3 233 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br H66848 [1,1,0,0,0,0|2,0,0]=4 234 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl B21036 [1,1,0,0,0,0|2,0,0]=4 235 B12R2.606 Cc1cc2cc(ccc2[nH]1)F H66121 [1,1,0,0,0,0|2,0,0]=4 236 B12R2.606 Cc1cc2cc(ccc2[nH]1)N B21694 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [1,1,0,0,0,0|2,0,0]=4 238 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 B20515 [1,1,0,0,0,0|1,1,0]=4 239 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C H66874 [1,1,0,0,0,0|2,0,0]=4 240 B12R2.606 Cc1ccc2c(c1)nc([nH]2)S A11192 [1,1,0,0,0,0|0,1,1]=4 241 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [1,1,0,0,0,0|1,0,0]=3 242 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [1,1,0,0,0,0|1,0,0]=3 243 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 H33984 [1,1,0,0,0,0|1,0,0]=3 244 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 H60385 [1,1,0,0,0,0|1,0,0]=3 245 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [1,1,0,0,0,0|1,0,0]=3 246 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [1,1,0,0,0,0|1,0,0]=3 247 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [1,1,0,0,0,0|1,0,0]=3 248 B12R2.606 c1cc2c(cc1Cl)nc([nH]2)S A19852 [1,1,0,0,0,0|0,1,1]=4 249 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [1,1,0,0,0,0|1,0,0]=3 250 B12R2.606 c1cc2c(cc1I)nc([nH]2)Cl H64529 [1,1,0,0,0,0|1,0,1]=4 251 B12R2.606 c1cc2c(cc1N)nc([nH]2)S H26999 [1,1,0,0,0,0|0,1,1]=4 252 B14R2.92 c1ccc2c(c1)ccc(c2O)N=O A11980 [0,1,0,0,0,1|2,0,0]=4 253 B14R2.4513 CN1c2cc(ccc2CCC1=O)Br H33197 [0,1,0,0,0,1|2,0,0]=4 254 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O B24099 [0,1,0,0,0,1|2,0,0]=4 255 B14R2.1146 COc1cc(=O)oc2c1cccc2 A13670 [0,1,0,0,0,1|2,0,0]=4 256 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr B25305 [0,1,0,0,0,1|2,0,0]=4 257 B14R2.8235 Cc1ccc2c(c1)c(=O)[nH]c(=O)[nH]2 H63259 [0,1,0,0,0,1|1,0,1]=4 258 B14R2.8235 c1cc2c(cc1Br)c(=O)[nH]c(=O)[nH]2 H63547 [0,1,0,0,0,1|1,0,1]=4 259 B14R2.639 CC1(C(=O)Nc2ccccc2O1)C H61025 [0,1,0,0,0,1|2,0,0]=4 260 B14R2.639 CC1(C(=O)Nc2ccccc2S1)C H61081 [0,1,0,0,0,1|2,0,0]=4 261 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [0,1,0,0,0,1|2,0,0]=4 262 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [0,1,0,0,0,1|1,0,1]=4 263 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,1,0,0,0,1|1,0,1]=4 264 B14R2.642 CC(=C)n1c2ccccc2[nH]c1=O L17626 [0,2,0,0,0,0|1,0,0]=3 265 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 B22742 [0,2,0,0,0,0|1,0,1]=4 266 B14R2.9184 Cc1cc(c2c(c1)C(=O)C(=O)N2)C L11332 [0,2,0,0,0,0|1,0,1]=4 267 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Cl L11682 [0,2,0,0,0,0|1,0,1]=4 268 B14R2.8620 c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl A14853 [0,2,0,0,0,0|1,0,1]=4 269 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [0,0,1,1,0,0|2,0,0]=4 270 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,1,1,0,0|2,0,0]=4 271 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,1,1,0,0|1,0,0]=3 272 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,1,1,0,0|1,0,0]=3 273 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,1,1,0,0|1,1,0]=4 274 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [0,0,1,0,0,1|1,0,1]=4 275 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,0,1,0,0,1|2,0,0]=4 276 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,0,1,0,0,1|2,0,0]=4 277 B12R1.27 C=CC(=O)NCc1ccccc1 L11450 [0,0,1,0,0,1|2,0,0]=4 278 B12R1.27 c1ccc(cc1)CNC(=S)NN L10920 [0,0,1,0,0,1|1,1,0]=4 279 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,0,1,0,0,1|2,0,0]=4 280 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,0,1,0,0,1|1,0,0]=3