0 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,0,0,0,0|1,0,3]=4 26 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|1,0,1]=3 34 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|0,0,1]=2 53 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|1,0,1]=3 56 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|0,0,1]=2 61 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|0,1,1]=3 62 B9R1.6 FC(c1ccccn1)F PI-35198 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|1,1,1]=4 66 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|1,0,2]=4 72 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|0,1,1]=3 74 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,2]=4 81 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,1]=3 89 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 O=C=Nc1cccnc1 PI-38566 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|1,0,1]=3 98 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.7 C1=C([S](C=C)(=O)=O)C=CC=C1 PI-13118 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.7 C1=CC=C(C=C1)C(CBr)(F)F PI-19048 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 PI-46042 [0,1,0,0,0,0|1,1,0]=3 103 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 PI-45032 [0,1,0,0,0,0|1,1,1]=4 104 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,1,0,0,0,0|1,0,2]=4 108 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,1,0,0,0,0|1,0,1]=3 117 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,1,0,0,0,0|1,0,2]=4 124 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.36 C1=CN=CC=C1C(C(=O)O)N PI-36241 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.36 C1C=CCC(=C1)C(C(=O)O)N PI-28324 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,0,0|0,0,2]=3 130 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,0|0,0,0]=1 131 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,0|0,0,0]=1 132 B11R1.36 CN(C1=CC=CC=C1)C(=S)Cl PI-24196 [0,1,0,0,0,0|1,1,0]=3 133 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,0,0,0,0|1,0,2]=4 141 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|2,0,1]=4 142 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|1,0,2]=4 143 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,1,0,0|1,1,1]=4 144 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|1,1,1]=4 145 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,1,0,0|3,0,0]=4 146 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|2,0,1]=4 147 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|0,1,1]=3 148 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,0,0,1,0,0|3,0,0]=4 149 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,1,0,0|2,0,0]=3 150 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|1,0,1]=3 151 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,1,0,0|2,0,0]=3 152 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|2,0,1]=4 154 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|2,0,1]=4 155 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|1,0,1]=3 156 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,0,0,1,0,0|0,0,2]=3 157 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,0,0,1,0,0|0,0,2]=3 158 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,0,1,0,0|0,0,2]=3 159 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,0,0,0,1,0|2,0,1]=4 160 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,0,0,0,0,1|1,0,1]=3 161 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,0,0,0,0,1|2,0,1]=4 162 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,0,0,0,1|2,0,1]=4 163 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,0,0,0,0,1|1,0,2]=4 164 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,0,0,0,0,1|1,0,2]=4 165 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 166 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 167 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|1,0,1]=4 171 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 192 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|1,0,1]=4 195 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|1,0,1]=4 196 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|1,0,1]=4 197 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,1]=4 198 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 199 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|0,0,1]=3 215 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|0,0,1]=3 216 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|0,0,1]=3 219 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,1,0,0,0,0|0,0,1]=3 220 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,1,0,0,0,0|0,0,1]=3 221 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,1,0,0,0,0|0,0,1]=3 222 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|0,0,1]=3 224 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|0,0,1]=3 226 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|0,0,1]=3 227 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|0,0,1]=3 229 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|0,0,1]=3 230 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|0,0,1]=3 232 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|0,0,1]=3 233 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|0,0,1]=3 234 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|0,0,1]=3 239 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|0,0,1]=3 241 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|0,0,1]=3 243 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|0,0,1]=3 245 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,1,0,0,0,0|0,0,1]=3 246 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|0,0,1]=3 252 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|0,0,1]=3 266 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [1,1,0,0,0,0|0,0,1]=3 267 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [1,1,0,0,0,0|0,1,1]=4 272 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [1,1,0,0,0,0|0,1,1]=4 273 B10R1.28 FC(F)(F)c1ccccc1 PI-34216 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|0,0,1]=3 284 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|0,0,1]=3 285 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|0,0,1]=3 287 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|0,0,1]=3 288 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|0,0,1]=3 289 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|0,0,1]=3 290 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|0,0,1]=3 291 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|0,0,1]=3 292 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|0,0,1]=3 293 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|0,0,1]=3 294 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|0,0,1]=3 296 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|0,0,1]=3 298 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|0,0,1]=3 299 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.61 FC(F)c1ccccc1Br PI-21634 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|0,0,1]=3 320 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|0,0,1]=3 323 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|0,0,1]=3 324 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|0,0,1]=3 328 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|0,0,1]=3 332 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|0,0,1]=3 337 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|0,0,1]=3 340 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|0,0,2]=4 358 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|0,0,2]=4 359 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|0,0,2]=4 360 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.1 C1=CC(=CC=C1N=C=O)F PI-19081 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 O=C=Nc1ccc(cc1)C PI-11411 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.1 O=C=Nc1ccc(cc1)Cl PI-11417 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.4 O=C=Nc1ccccc1F PI-26192 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.10 C1=CC(=CC(=C1)F)N=C=O PI-19552 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|0,0,2]=4 403 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|0,1,1]=4 411 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [1,1,0,0,0,0|0,0,1]=3 425 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,1,0,0,0,0|1,1,0]=4 440 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.18 OC(=O)Cc1cncnc1 PI-32944 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.43 C1=CC(=CN=C1)CC(C(=O)O)N PI-14958 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,1,0,0,0,1|1,0,1]=4 446 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,1|1,0,0]=3 447 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,1|1,0,0]=3 448 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,1,0,0,0,1|1,0,0]=3 450 B12R1.43 C1=CC=NC(=C1)CC(C(=O)O)N PI-14954 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.43 C=C(C(=O)O)Cc1ccccc1 PI-12179 [0,1,0,0,0,1|0,0,2]=4 452 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,1,0,0,0,1|0,0,1]=3 453 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,1,0,0,0,1|0,0,1]=3 454 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,1|0,0,0]=2 455 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,1,0,0,0,1|1,0,0]=3 456 B12R1.43 N[C@@H](C(=O)O)Cc1ccncc1 PI-25509 [0,1,0,0,0,1|2,0,0]=4 457 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O PI-25508 [0,1,0,0,0,1|2,0,0]=4 458 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,1|1,0,1]=4 459 B12R1.43 OC(=O)[C@@H](Cc1ccccn1)N PI-14955 [0,1,0,0,0,1|2,0,0]=4 460 B12R1.43 OC(=O)[C@@H](Cc1cccnc1)N PI-14959 [0,1,0,0,0,1|2,0,0]=4 461 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,1,0,0,0,1|0,0,2]=4 463 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O PI-42642 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.253 C1=CC=C(C=C1)C(C(=O)N)(F)F PI-12515 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.253 CC(C)(C1=CC=CC=C1)C(=O)O PI-11339 [0,2,0,0,0,0|0,0,0]=2 466 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19096 [0,2,0,0,0,0|0,0,0]=2 467 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19536 [0,2,0,0,0,0|0,0,0]=2 468 B12R1.12 O=CC(C=O)c1ccc(Br)cc1 PI-22501 [0,2,0,0,0,0|0,0,1]=3 469 B12R1.13 C1=CC(=CC(=C1)Br)C(C=O)C=O PI-22500 [0,2,0,0,0,0|0,0,1]=3 470 B12R1.13 O=CC(C=O)c1cccc(C)c1 PI-24818 [0,2,0,0,0,0|0,0,1]=3 471 B12R1.243 COC(c1ccccc1I)OC PI-39240 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O PI-10781 [0,2,0,0,0,0|0,0,0]=2 473 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26151 [0,2,0,0,0,0|0,0,1]=3 474 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26801 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.30 CC(C1=CC=CC=C1)NCC=C PI-29529 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.107 C1=CC(=CN=C1)C(CC(=O)O)N PI-45558 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,2,0,0,0,0|0,0,0]=2 481 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,2,0,0,0,0|0,0,0]=2 482 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Br PI-30107 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-15413 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21861 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl PI-21862 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16851 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)F PI-16852 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)O PI-27356 [0,2,0,0,0,0|1,0,0]=3 493 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Br PI-12127 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.20 CC1=CC=C(C=C1)N(C)C(=S)Cl PI-24488 [0,2,0,0,0,0|1,1,0]=4 498 B12R1.20 CN(C1=CC=C(C=C1)Br)C(=S)Cl PI-22520 [0,2,0,0,0,0|1,1,0]=4 499 B12R1.20 NC(c1ccc(cc1)F)C(=O)O PI-10414 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N PI-27478 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.20 OC(c1ccc(cc1)F)C(=O)O PI-12126 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.225 C1=CC(=CC(=C1)Br)C(C(=O)O)N PI-30934 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.225 C1=CC(=CC(=C1)Cl)C(C(=O)O)N PI-24591 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [0,2,0,0,0,0|0,0,0]=2 506 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-11648 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-33405 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44342 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44343 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.225 OC(=O)C(O)c1cccc(Br)c1 PI-21550 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.225 OC(=O)C(O)c1cccc(C)c1 PI-24801 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.225 O[C@H](C1=CC=CC(Cl)=C1)C(O)=O PI-37323 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl PI-16780 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Br PI-30383 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11217 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11226 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-13159 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.124 OC(=O)C(N)c1ccccc1O PI-36100 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.124 OC(=O)C(c1ccccc1Br)O PI-12128 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.124 OC(=O)C(c1ccccc1F)N PI-17020 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O PI-36868 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.3441 CC(C#N)C1=C(C=CC=C1F)F PI-35880 [0,2,0,0,0,0|1,0,1]=4 527 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [0,0,1,1,0,0|0,0,2]=4 528 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|0,0,1]=3 529 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|0,0,1]=3 530 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|0,0,1]=3 531 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|0,0,1]=3 532 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 533 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 534 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|1,0,1]=4 535 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,1]=4 536 B10R2.7 C1=CC=C2C(=C1)SC=[S+]2 PI-14799 [1,0,0,1,0,0|1,1,0]=4 537 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|1,0,1]=4 538 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|0,0,2]=4 539 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|2,0,0]=4 540 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|0,1,1]=4 541 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,0,0,1,0,1|1,0,0]=3 542 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,0,0,1,0,1|1,0,1]=4 543 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,0,0,1,0,1|2,0,0]=4 544 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,1,0,1|1,0,1]=4 545 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,0,0,1,0,1|2,0,0]=4 546 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,0,0,1,0,1|1,0,1]=4 547 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [0,0,0,1,0,1|1,0,1]=4 548 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,1|1,0,1]=4 549 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [0,0,0,1,0,1|1,0,1]=4 550 B12R2.32 C1=CC=C2C(=C1)C=C(O2)C=O PI-16469 [0,0,0,1,0,1|0,0,2]=4 551 B12R2.32 C1=CC=C2C(=C1)C=C(S2)C=O PI-29507 [0,0,0,1,0,1|0,0,2]=4 552 B12R2.32 C1=CC=C2C(=C1)N=C(S2)C=O PI-14166 [0,0,0,1,0,1|1,0,1]=4 553 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,0,0,1,0,1|2,0,0]=4 554 B12R2.32 O=Cc1cc2ccccc2[nH]1 PI-31918 [0,0,0,1,0,1|0,0,2]=4 555 B12R2.32 O=Cc1nc2c([nH]1)cccc2 PI-14803 [0,0,0,1,0,1|1,0,1]=4 556 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,1,0,0|0,0,2]=4 557 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,1,0,0|0,0,2]=4 558 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|0,1,1]=4 559 B12R2.1 C1=CC=C2C(=C1)N=NN2C=O PI-47021 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.1 CCN1C=NC2=C1C=CC=C2 PI-32332 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,1,0,0|0,0,2]=4 562 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|1,0,1]=4 563 B12R2.2 C1CC(N=C1)C2=CN=CC=C2 PI-44326 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,1,0,1,0,0|1,0,1]=4 565 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.1081 Cc1ccnc2ccccc12 PI-16520 [0,1,0,1,0,0|1,0,1]=4 568 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [0,1,0,1,0,0|1,0,1]=4 569 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,1,0,1,0,0|1,0,0]=3 570 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,1,0,0|1,0,0]=3 571 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,1,0,0|1,0,1]=4 572 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,1,0,0|1,0,1]=4 574 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,1,0,1,0,0|2,0,0]=4 575 B12R2.612 CN1C=CC2=C1C=CC(=C2)N PI-45196 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,1,0,0|1,0,1]=4 577 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|0,0,2]=4 578 B12R2.132 CC1=CSC2=C1C=C(C=C2)Cl PI-30258 [0,1,0,1,0,0|0,1,1]=4 579 B12R2.132 CC1=CSC2=C1C=C(C=C2)F PI-23747 [0,1,0,1,0,0|0,1,1]=4 580 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [0,1,0,1,0,0|1,0,1]=4 582 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,1,0,1,0,0|0,0,0]=2 583 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,1,0|1,0,1]=4 584 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,1,0|1,0,1]=4 585 B8R1.7 CC(C1=CC=CS1)O PI-12508 [1,0,0,0,1,0|1,0,1]=4 586 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [1,0,0,0,1,0|0,0,2]=4 587 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [1,0,0,0,1,0|2,0,0]=4 588 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [1,0,0,0,1,0|1,0,1]=4 589 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,0,0,0,0,2|0,0,2]=4