0 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,0,0,0,0|0,0,2]=2 20 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,0,0,0,0|0,0,2]=2 23 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,0,0,0,0|0,0,2]=2 25 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,0,0,0,0,0|1,0,2]=3 36 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,0,0,0,0,0|1,0,2]=3 37 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,0,0,0,0,0|1,0,2]=3 43 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,0,0,0,0,0|2,1,0]=4 49 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,0,0,0,0,0|2,1,0]=4 58 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|0,0,2]=3 73 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,0,0|1,0,2]=4 78 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|0,0,2]=3 81 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|1,1,0]=3 82 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|1,1,0]=3 89 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 OC(=O)c1ccncn1 PI-32629 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 95 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|0,0,3]=4 104 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|0,0,2]=3 105 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|1,0,1]=3 113 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|0,0,1]=2 115 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|0,0,1]=2 116 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.7 C1=C([S](C=C)(=O)=O)C=CC=C1 PI-13118 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.7 C1=CC=C(C=C1)C(CBr)(F)F PI-19048 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.7 C1=CC=NC(=C1)S(=O)(=O)CF PI-46455 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 PI-45032 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.12 CCB(CC)C1=CC=CN=C1 PI-42544 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,1,0,0,0,0|0,0,2]=3 150 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,1,0,0,0,0|0,0,2]=3 151 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,1,0,0,0,0|0,0,1]=2 152 B11R1.16 N#CCC(C1=CC=NC=C1)=O PI-39619 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.16 OCCN(c1ccccn1)C PI-28090 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [0,1,0,0,0,0|1,0,1]=3 164 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.22 C1=CC(=NC=C1C(=O)NN)Cl PI-50259 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.22 C1=CC(=NC=C1C(=O)NN)N PI-36889 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,1,0,0,0,0|0,0,0]=1 191 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,1,0,0,0,0|0,0,0]=1 192 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,1,0,0,0,0|1,0,1]=3 210 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.23 C1=C(C=NC=C1Br)C(=O)NN PI-50341 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,0,0|1,0,0]=2 218 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.23 C1=CN=C(C=C1C(=O)NN)N PI-30745 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.23 CC1=CC(=CC=C1)C(=NO)N PI-19541 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,1,0,0,0,0|0,0,0]=1 230 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,1,0,0,0,0|0,0,0]=1 231 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,0,0|0,0,0]=1 232 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.36 C=C(C1=CC=CC=C1)C(=O)O PI-11241 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,1,0,0,0,0|0,0,0]=1 256 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,1,0,0,0,0|0,0,1]=2 257 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,1,0,0,0,0|1,0,1]=3 258 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.222 C1=CC(=C(N=C1)N)C(=O)NN PI-50253 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,0,0|1,0,0]=2 270 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,0,0|0,0,0]=1 272 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,0,0|0,0,0]=1 273 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,1,0,0,0,0|2,0,0]=3 294 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,0,0,1,0,0|2,0,1]=4 295 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,1,0,0|3,0,0]=4 296 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [0,0,0,1,0,0|3,0,0]=4 297 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|2,0,1]=4 298 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|2,0,1]=4 299 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,1,0,0|2,0,1]=4 300 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|1,0,2]=4 301 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,1,0,0|3,0,0]=4 302 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,1,0,0|3,0,0]=4 303 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,1,0,0|2,0,0]=3 304 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,1,0,0|1,0,2]=4 305 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|1,0,0]=2 306 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|1,0,0]=2 307 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,1,0,0|2,0,0]=3 308 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|0,0,0]=1 309 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|1,0,1]=3 310 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|2,0,1]=4 311 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|2,0,1]=4 312 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,1,0,0|3,0,0]=4 313 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|1,0,1]=3 314 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|1,0,1]=3 315 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|1,0,1]=3 316 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|1,0,0]=2 317 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,0|1,0,0]=2 318 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,1,0,0|2,0,0]=3 319 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|2,0,1]=4 320 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,0,0,1,0,0|2,0,1]=4 321 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,0,0,1,0,0|2,0,1]=4 322 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,0,1,0,0|2,0,1]=4 323 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,0,0,0,1,0|2,0,0]=3 324 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [0,0,0,0,1,0|3,0,0]=4 325 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,0,0,0,1,0|2,0,0]=3 326 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [0,0,0,0,1,0|3,0,0]=4 327 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,0,0,0,1,0|1,0,0]=2 328 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [0,0,0,0,1,0|2,0,0]=3 329 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,0,0,0,1,0|1,0,0]=2 330 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,0,0,0,1,0|2,0,0]=3 331 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,0,0,0,1,0|3,0,0]=4 332 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,0,0,0,1,0|3,0,0]=4 333 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,0,0,0,1,0|3,0,0]=4 334 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,0,0,0,1,0|2,0,0]=3 335 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,0,0,0,1,0|2,0,0]=3 336 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,0,0,0,1,0|3,0,0]=4 337 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,0,0,0,1,0|3,0,0]=4 338 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,0,0,0,1,0|2,0,0]=3 339 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,0,0,0,1,0|2,0,0]=3 340 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [0,0,0,0,0,1|2,0,1]=4 341 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,0,1|2,0,0]=3 342 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,0,0,0,0,1|2,0,1]=4 343 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,0,0,0,0,1|2,1,0]=4 344 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,0,0,0,1|0,0,2]=3 345 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,0,1|0,0,0]=1 346 B11R1.40 CNC(=S)Nc1ccccc1 PI-24288 [0,0,0,0,0,1|1,1,0]=3 347 B11R1.40 CNC(=S)Nc1ccccc1 PI-30591 [0,0,0,0,0,1|1,1,0]=3 348 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,0,0,0,0,1|2,0,0]=3 349 B11R1.40 COC(=O)CC1=NC=CN=C1 PI-29522 [0,0,0,0,0,1|3,0,0]=4 350 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,0,0,0,1|1,0,0]=2 351 B11R1.40 O=C(OC)CC1=NC=CC=N1 PI-46781 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,0,0,0,0,1|2,0,1]=4 353 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,0,0,0,0,1|2,0,1]=4 354 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 356 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 362 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 364 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,1]=4 387 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 388 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,1,0,0,0,0|1,1,0]=4 405 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|0,0,2]=4 431 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|1,1,0]=4 435 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|0,0,2]=4 436 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|0,0,2]=4 437 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|0,0,2]=4 448 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,1,0,0,0,0|1,1,0]=4 461 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|1,1,0]=4 462 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|0,0,2]=4 476 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [1,1,0,0,0,0|1,1,0]=4 482 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [1,1,0,0,0,0|1,1,0]=4 483 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,1,0,0,0,0|1,1,0]=4 494 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|0,0,0]=2 501 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|0,0,0]=2 503 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|0,0,0]=2 504 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|0,0,0]=2 506 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|0,0,2]=4 508 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|0,0,2]=4 510 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|0,0,0]=2 514 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|0,0,2]=4 517 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|0,0,2]=4 518 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|0,0,2]=4 520 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,1,0,0,0,0|1,1,0]=4 522 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|1,1,0]=4 523 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.61 OC(=O)c1cccnc1F PI-16387 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.61 OC(=O)c1cccnc1N PI-31221 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.61 OC(=O)c1ccncc1I PI-38273 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.61 OC(=O)c1ccncc1N PI-10177 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.61 OC(=O)c1ccncc1O PI-28020 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.61 OC(=O)c1cnccc1N PI-10029 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.61 OC(=O)c1ncccc1F PI-34434 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.61 OC(=O)c1ncccc1N PI-14129 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [1,1,0,0,0,0|1,1,0]=4 556 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [1,1,0,0,0,0|1,1,0]=4 560 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|0,0,0]=2 573 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|0,0,2]=4 575 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|0,0,2]=4 576 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|0,0,2]=4 579 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|0,0,0]=2 581 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|0,0,2]=4 583 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|0,0,2]=4 587 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|0,0,2]=4 588 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|0,0,0]=2 597 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|1,1,0]=4 604 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|0,0,0]=2 605 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|0,0,0]=2 611 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|1,1,0]=4 616 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|0,0,1]=3 632 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|0,0,1]=3 633 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|0,0,1]=3 634 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.1 CCOc1ccc(cn1)N PI-33888 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,1]=4 649 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,1]=4 650 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|1,0,1]=4 659 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|1,0,1]=4 660 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|1,0,1]=4 661 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|0,0,2]=4 678 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,1]=4 679 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|0,0,1]=3 683 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|1,0,1]=4 686 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|1,0,1]=4 687 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|1,0,1]=4 689 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|0,0,1]=3 690 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|0,0,1]=3 694 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,1,0,0,0,0|0,0,2]=4 696 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|0,0,1]=3 697 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|1,0,1]=4 698 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|1,0,1]=4 699 B10R1.18 BrC(=Cc1ccccc1)Br PI-35682 [1,1,0,0,0,0|1,0,1]=4 700 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,1,0,0,0,0|0,0,1]=3 701 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|1,0,1]=4 703 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O PI-40025 [0,1,0,0,1,0|2,0,0]=4 704 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [0,1,0,0,1,0|1,0,0]=3 706 B10R1.11 CCOC(=O)C1=CN=CN1 PI-45041 [0,1,0,0,1,0|2,0,0]=4 707 B10R1.11 CCOC(=O)C1=CN=CO1 PI-41911 [0,1,0,0,1,0|2,0,0]=4 708 B10R1.11 CCOC(=O)C1=CSC=C1 PI-29710 [0,1,0,0,1,0|1,0,0]=3 709 B10R1.11 CCOC(=O)C1=CSC=N1 PI-25161 [0,1,0,0,1,0|2,0,0]=4 710 B10R1.11 CCOC(=O)c1c[nH]nc1 PI-11547 [0,1,0,0,1,0|2,0,0]=4 711 B10R1.11 CCOC(=O)c1cc[nH]n1 PI-39369 [0,1,0,0,1,0|2,0,0]=4 712 B10R1.11 CCOC(=O)c1ccc[nH]1 PI-19322 [0,1,0,0,1,0|1,0,0]=3 713 B10R1.11 CCOC(=O)c1cccs1 PI-11165 [0,1,0,0,1,0|1,0,0]=3 714 B10R1.11 CCOC(=O)c1cocc1 PI-13055 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.11 N#CCC(=O)c1ccco1 PI-29476 [0,1,0,0,1,0|1,0,1]=4 716 B10R1.11 N#CCC(=O)c1cccs1 PI-29493 [0,1,0,0,1,0|1,0,1]=4 717 B10R1.14 C1=C(SC(=C1)Br)C(=O)CBr PI-20587 [0,1,0,0,1,0|2,0,0]=4 718 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,0,1,0|2,0,0]=4 719 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,1,0,0,1,0|1,0,0]=3 720 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,1,0,0,1,0|2,0,0]=4 721 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,1,0,0,1,0|2,0,0]=4 724 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,0,1,0|2,0,0]=4 726 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,1,0,0,1,0|2,0,0]=4 727 B10R1.14 ClCC(=O)c1ccc(Br)s1 PI-22620 [0,1,0,0,1,0|2,0,0]=4 728 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [0,1,0,0,1,0|2,0,0]=4 729 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,1,0,0,1,0|2,0,0]=4 730 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,1,0,0,1,0|2,0,0]=4 731 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,1,0,0,1,0|2,0,0]=4 732 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,1,0,0,1,0|2,0,0]=4 733 B10R1.149 COC(=O)C1=C(C=CS1)Br PI-29410 [0,1,0,0,1,0|2,0,0]=4 734 B10R1.149 COC(=O)C1=C(C=CS1)Cl PI-29957 [0,1,0,0,1,0|2,0,0]=4 735 B10R1.149 COC(=O)c1ccsc1N PI-15241 [0,1,0,0,1,0|2,0,0]=4 736 B10R1.149 COC(=O)c1cscc1N PI-29564 [0,1,0,0,1,0|2,0,0]=4 737 B10R1.149 COC(=O)c1cscc1N PI-29848 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.149 COC(=O)c1sccc1N PI-31111 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,1,0,0,1,0|2,0,0]=4 740 B10R1.149 O=C(C1=C(Br)SC=C1)OC PI-46673 [0,1,0,0,1,0|2,0,0]=4 741 B10R1.149 O=C(C1=C(F)C=CS1)OC PI-36480 [0,1,0,0,1,0|2,0,0]=4 742 B10R1.149 O=C(C1=CSC=C1Br)OC PI-46670 [0,1,0,0,1,0|2,0,0]=4 743 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,1,0,0,0,1|0,0,0]=2 744 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [0,1,0,0,0,1|1,0,0]=3 745 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [0,1,0,0,0,1|1,0,0]=3 746 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [0,1,0,0,0,1|0,0,0]=2 747 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,1,0,0,0,1|1,0,1]=4 748 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.34 C1=CC=C(C=C1)C(C(=O)NN)O PI-50234 [0,1,0,0,0,1|2,0,0]=4 750 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [0,1,0,0,0,1|1,0,0]=3 751 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,1,0,0,0,1|1,0,0]=3 752 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [0,1,0,0,0,1|1,0,0]=3 753 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [0,1,0,0,0,1|1,0,0]=3 754 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [0,1,0,0,0,1|1,0,0]=3 755 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [0,1,0,0,0,1|1,0,0]=3 756 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,1,0,0,0,1|0,0,1]=3 757 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,1,0,0,0,1|1,0,0]=3 758 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PI-13338 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,1,0,0,0,1|1,0,1]=4 760 B12R1.43 O=C(SC1=CC=CN=C1)N(C)C PI-46612 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.49 C1=CC(=CC=C1CC(=O)NN)Cl PI-50326 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.49 C1=CC(=CC=C1CC(=O)NN)F PI-50267 [0,1,0,0,0,1|2,0,0]=4 763 B12R1.49 C1=CC(=CC=C1CC(=O)NN)O PI-50261 [0,1,0,0,0,1|2,0,0]=4 764 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)Cl PI-20206 [0,1,0,0,0,1|1,0,0]=3 765 B12R1.49 C1=CC(=CC=C1NC(=O)CCl)F PI-15659 [0,1,0,0,0,1|1,0,0]=3 766 B12R1.49 CC1=CC=C(C=C1)CC(=O)NN PI-50599 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.49 CCC(=O)SC1=CC=C(C=C1)C PI-19241 [0,1,0,0,0,1|0,0,0]=2 768 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PI-50433 [0,1,0,0,0,1|1,0,0]=3 769 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl PI-13010 [0,1,0,0,0,1|1,0,0]=3 770 B12R1.49 COC(=O)CC1=CC=C(C=C1)F PI-50441 [0,1,0,0,0,1|1,0,0]=3 771 B12R1.49 COC(=O)CC1=CC=C(C=C1)N PI-50506 [0,1,0,0,0,1|1,0,0]=3 772 B12R1.49 COC(=O)CC1=CC=C(C=C1)O PI-11994 [0,1,0,0,0,1|1,0,0]=3 773 B12R1.49 COC(=O)Cc1ccc(cc1)C PI-12770 [0,1,0,0,0,1|1,0,0]=3 774 B12R1.49 FC1=CC=C(CC(=O)C=C)C=C1 PI-36344 [0,1,0,0,0,1|0,0,2]=4 775 B12R1.50 C1=CC(=CC(=C1)Cl)CC(=O)NN PI-50254 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.50 C1=CC(=CC(=C1)F)NC(=O)CCl PI-23121 [0,1,0,0,0,1|1,0,0]=3 777 B12R1.50 CC1=CC(=CC=C1)CC(=O)OC PI-50501 [0,1,0,0,0,1|1,0,0]=3 778 B12R1.50 CCC(=O)NC1=CC=CC(=C1)N PI-30343 [0,1,0,0,0,1|0,0,0]=2 779 B12R1.50 CNC(=O)CC1=CC(=CC=C1)N PI-36757 [0,1,0,0,0,1|1,0,0]=3 780 B12R1.50 COC(=O)CC1=CC(=CC=C1)Br PI-50496 [0,1,0,0,0,1|1,0,0]=3 781 B12R1.50 COC(=O)CC1=CC(=CC=C1)F PI-50484 [0,1,0,0,0,1|1,0,0]=3 782 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50434 [0,1,0,0,0,1|1,0,0]=3 783 B12R1.50 COC(=O)CC1=CC(=CC=C1)N PI-50508 [0,1,0,0,0,1|1,0,0]=3 784 B12R1.50 COC(=O)CC1=CC(=CC=C1)O PI-50436 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.50 COC(=O)Cc1cccc(Cl)c1 PI-30683 [0,1,0,0,0,1|1,0,0]=3 786 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,0,1|1,0,0]=3 789 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,0,1|1,0,0]=3 790 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,0,1|1,0,0]=3 791 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,0,1|1,0,0]=3 792 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,0,1|1,0,0]=3 793 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CCl PI-19888 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CF PI-46464 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)NC PI-33427 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O PI-42642 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)Br PI-19852 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.9 CNS(=O)(=O)C1=CC=C(C=C1)N PI-17556 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl PI-20052 [0,2,0,0,0,0|1,0,0]=3 800 B12R1.39 C=CCS(=O)(=O)C1=CC=CC=C1 PI-29173 [0,2,0,0,0,0|1,0,1]=4 801 B12R1.253 C1=CC=C(C=C1)S(=O)(=O)C(F)F PI-46457 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.12 CCN(c1ccc(cc1)N)CC PI-28891 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.13 CCN(CC)C1=CC=CC(=C1)C PI-19968 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O PI-10781 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Br PI-14507 [0,2,0,0,0,0|0,0,1]=3 806 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)I PI-50638 [0,2,0,0,0,0|0,0,1]=3 807 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,2,0,0,0,0|0,0,0]=2 808 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,2,0,0,0,0|0,0,0]=2 809 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,2,0,0,0,0|0,0,0]=2 810 B12R1.16 C1=CC(=CC=C1C(=O)N=C=S)Cl PI-23161 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,2,0,0,0,0|1,0,1]=4 812 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N PI-29894 [0,2,0,0,0,0|0,0,1]=3 813 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,2,0,0,0,0|0,0,0]=2 814 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,2,0,0,0,0|0,0,0]=2 815 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,2,0,0,0,0|0,0,0]=2 816 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [0,2,0,0,0,0|0,0,0]=2 819 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.16 CCOC(=O)C1=NC=C(N=C1)C PI-50302 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [0,2,0,0,0,0|0,0,0]=2 828 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [0,2,0,0,0,0|0,0,2]=4 829 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [0,2,0,0,0,0|0,0,2]=4 830 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [0,2,0,0,0,0|0,0,0]=2 831 B12R1.16 N#CCC(=O)c1ccc(Cl)cc1 PI-23155 [0,2,0,0,0,0|0,0,1]=3 832 B12R1.16 N#CCC(=O)c1ccc(cc1)F PI-23466 [0,2,0,0,0,0|0,0,1]=3 833 B12R1.16 O=C(C1=CN=C(Cl)N=C1)OCC PI-37399 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [0,2,0,0,0,0|0,0,2]=4 835 B12R1.17 C1=CC(=CC(=C1)Cl)C(=O)CC#N PI-30316 [0,2,0,0,0,0|0,0,1]=3 836 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [0,2,0,0,0,0|0,0,2]=4 837 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N PI-29676 [0,2,0,0,0,0|0,0,1]=3 838 B12R1.17 CCOC(=O)C1=CC(=CC=C1)Cl PI-50247 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F PI-34136 [0,2,0,0,0,0|0,0,0]=2 840 B12R1.17 CCOC(=O)C1=CC(=CC=C1)O PI-18902 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br PI-10174 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl PI-35025 [0,2,0,0,0,0|1,0,0]=3 843 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C PI-50248 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.17 CCOC(=O)c1cccc(c1)N PI-12743 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [0,2,0,0,0,0|0,0,0]=2 846 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [0,2,0,0,0,0|0,0,2]=4 847 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [0,2,0,0,0,0|0,0,2]=4 848 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [0,2,0,0,0,0|0,0,2]=4 849 B12R1.17 N#CCC(=O)c1cccc(F)c1 PI-23465 [0,2,0,0,0,0|0,0,1]=3 850 B12R1.17 N#CCC(C1=CC=CC(Br)=C1)=O PI-20540 [0,2,0,0,0,0|0,0,1]=3 851 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 PI-41287 [0,2,0,0,0,0|0,0,0]=2 852 B12R1.17 S=C=NC(=O)c1cccc(Cl)c1 PI-23160 [0,2,0,0,0,0|1,0,1]=4 853 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [0,2,0,0,0,0|0,0,1]=3 854 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,2,0,0,0,0|0,0,0]=2 855 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [0,2,0,0,0,0|0,0,0]=2 857 B12R1.30 CN(CCC#N)C1=CC=CC=C1 PI-25978 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,2,0,0,0,0|0,0,2]=4 860 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,2,0,0,0,0|0,0,0]=2 862 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,2,0,0,0,0|0,0,2]=4 863 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,2,0,0,0,0|0,0,0]=2 864 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.107 NC(=S)NC(=O)c1ccccc1 PI-28687 [0,2,0,0,0,0|1,0,1]=4 866 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Br PI-50632 [0,2,0,0,0,0|0,0,1]=3 867 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Cl PI-30575 [0,2,0,0,0,0|0,0,1]=3 868 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)F PI-34244 [0,2,0,0,0,0|0,0,1]=3 869 B12R1.308 C1=CC=C(C(=C1)C(=O)N=C=S)Cl PI-23159 [0,2,0,0,0,0|1,0,1]=4 870 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,2,0,0,0,0|0,0,0]=2 871 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N PI-35281 [0,2,0,0,0,0|1,0,0]=3 872 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C PI-18257 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [0,2,0,0,0,0|0,0,0]=2 874 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [0,2,0,0,0,0|0,0,0]=2 875 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [0,2,0,0,0,0|0,0,0]=2 876 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 PI-34709 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.308 O=C(NCC)C1=C(Cl)N=CC=C1 PI-46731 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.5 BrCc1ccc(cc1)C(=O)OC PI-31123 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.5 C1=CC(=CC=C1C#N)C(=O)CBr PI-20520 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.5 C1=CC(=CC=C1C#N)C(=O)NN PI-44788 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.5 CCC(=O)c1ccc(cc1)OC PI-11534 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.5 CCC1=CC=C(C=C1)C(=O)NN PI-19800 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.5 CC[N+]1=CC=C(C=C1)C(=O)OC PI-17154 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.5 COC(=O)C1=CC=C(C=C1)C#C PI-46518 [0,2,0,0,0,0|1,0,0]=3 888 B12R1.5 COC(=O)C1=CC=C(C=C1)CCl PI-24334 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.5 COC(=O)C1=CC=C(C=C1)CO PI-50464 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O PI-48291 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O PI-44040 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.5 COC(=O)c1ccc(cc1)C#N PI-31024 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.5 COC(=O)c1ccc(cc1)NC PI-30237 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.5 COC(C1=CN=C(C=C1)CO)=O PI-33159 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.5 COC1=CC=C(C=C1)C(=O)CBr PI-13027 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.5 COC1=CC=C(C=C1)C(=O)CCl PI-30325 [0,2,0,0,0,0|1,0,0]=3 897 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.5 COC1=CC=C(C=C1)C(=O)CO PI-29587 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.5 COC1=CC=C(C=C1)C(=O)NN PI-29486 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.5 COC1=CC=C(C=C1)C(=O)OC PI-31766 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.5 O=C(OC)C1=CN=C(OC)C=C1 PI-11559 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.20 C1=CC(=CC=C1C(=O)C(Br)Br)F PI-30908 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Br PI-46942 [0,2,0,0,0,0|0,0,0]=2 904 B12R1.20 CC(C(=O)C1=CC=C(C=C1)F)Cl PI-20114 [0,2,0,0,0,0|0,0,0]=2 905 B12R1.20 CC(C(=O)C1=CC=C(C=C1)O)Br PI-31561 [0,2,0,0,0,0|0,0,0]=2 906 B12R1.20 CC(C)C(=O)C1=CC=C(C=C1)Cl PI-12317 [0,2,0,0,0,0|0,0,0]=2 907 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)N PI-30814 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [0,2,0,0,0,0|0,0,2]=4 909 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)F)F PI-21210 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl PI-30613 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl PI-50327 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.367 C1=CC(=C(C=C1C(=O)NN)F)F PI-50448 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.367 C1=CC(=C(C=C1C(=O)NN)N)N PI-50369 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.367 C1=CC(=C(C=C1C(=O)NN)O)O PI-30566 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.367 CC1=C(C=CC(=C1)C(=O)NN)Br PI-50352 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl PI-12719 [0,2,0,0,0,0|0,0,0]=2 926 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)Br PI-17446 [0,2,0,0,0,0|0,0,0]=2 927 B12R1.367 CCC(=O)C1=CC(=C(C=C1)F)F PI-17410 [0,2,0,0,0,0|0,0,0]=2 928 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [0,2,0,0,0,0|0,0,0]=2 929 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O PI-50476 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F PI-50576 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)N PI-40951 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br PI-50477 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O PI-30817 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 PI-41936 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.367 COC(=O)c1ccc(c(c1)N)N PI-30534 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.367 NNC(=O)c1ccc(Br)c(Cl)c1 PI-20609 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.367 NNC(=O)c1ccc(Cl)c(Br)c1 PI-20607 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.367 O=C(NN)C1=CC=C(F)C(Br)=C1 PI-41832 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.367 O=C(OC)C1=CN=C(N)C(Br)=C1 PI-37123 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.367 OC1=CC=C(C([O-4][K+2])=O)C=C1O PI-50444 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.1703 C1=CC(=C(C=C1Br)Br)C(=O)CBr PI-31571 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CBr PI-12358 [0,2,0,0,0,0|1,0,0]=3 952 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl PI-11716 [0,2,0,0,0,0|1,0,0]=3 953 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)NN PI-21139 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.1703 C1=CC(=C(C=C1N)O)C(=O)NN PI-50258 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,2,0,0,0,0|1,0,0]=3 963 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN PI-50279 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [0,2,0,0,0,0|1,0,0]=3 965 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,2,0,0,0,0|0,0,0]=2 971 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [0,2,0,0,0,0|1,0,0]=3 979 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.1703 COC(=O)C1=NC=C(C=C1Cl)Br PI-44607 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PI-33141 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N PI-12595 [0,2,0,0,0,0|1,0,1]=4 989 B12R1.24 CC1=C(C(=CC=C1)C(=O)NN)O PI-20806 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)N PI-31514 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.24 CC1=C(C=CC=C1Br)C(=O)NN PI-50522 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.24 CC1=C(C=CC=C1O)C(=O)OC PI-50569 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.24 CCC(=O)C1=C(C(=CC=C1)F)F PI-21239 [0,2,0,0,0,0|0,0,0]=2 994 B12R1.24 COC(=O)C1=C(C(=CC=C1)Br)N PI-35914 [0,2,0,0,0,0|1,0,0]=3 995 B12R1.24 COC(=O)C1=C(C(=CC=C1)Cl)N PI-11518 [0,2,0,0,0,0|1,0,0]=3 996 B12R1.24 COC(=O)C1=C(C(=NC=C1)Cl)F PI-34474 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.24 COC(=O)c1cccc(c1N)N PI-36775 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.24 COC(=O)c1cccc(c1N)O PI-38626 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.24 COC(=O)c1cccc(c1O)O PI-39003 [0,2,0,0,0,0|1,0,0]=3 1000 B12R1.24 COC(=O)c1ccnc(c1N)Cl PI-38952 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.24 Cc1c(cccc1N)C(=O)OC PI-16129 [0,2,0,0,0,0|1,0,0]=3 1002 B12R1.225 CC(C)C(C1=CC(=CC=C1)F)N PI-34609 [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.225 Clc1cccc(c1)C(=O)C(C)Br PI-17300 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.354 C1=CC(=C(C=C1Br)C(=O)NN)O PI-50602 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)Cl PI-30842 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)N PI-50274 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NO)O PI-30543 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.354 C1=CC(=C(C=C1F)C(=O)CBr)O PI-21450 [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.354 C1=CC(=C(C=C1O)C(=O)CBr)O PI-31569 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.354 CC1=C(C=C(C=C1)F)C(=O)OC PI-35260 [0,2,0,0,0,0|1,0,0]=3 1011 B12R1.354 CC1=CC(=C(C=C1)N)C(=O)NN PI-19389 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC PI-28293 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PI-17699 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.354 CCC(=O)c1cc(Br)ccc1O PI-21516 [0,2,0,0,0,0|0,0,0]=2 1015 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,2,0,0,0,0|0,0,0]=2 1016 B12R1.354 CCC(=O)c1cc(O)ccc1O PI-17243 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)I PI-40379 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)O PI-50603 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)Cl PI-50468 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N PI-18615 [0,2,0,0,0,0|1,0,0]=3 1021 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)O PI-18529 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.354 COC(=O)C1=C(C=CC(=C1)F)N PI-21369 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)N PI-50229 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)O PI-13745 [0,2,0,0,0,0|1,0,0]=3 1025 B12R1.354 COC(=O)C1=CC(=CNC1=O)Br PI-40202 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.354 COC(=O)C1=CC(=NC=C1Br)N PI-49441 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.354 COC(=O)c1cc(Br)ccc1N PI-10941 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.354 COC(=O)c1cc(Br)cnc1Cl PI-33163 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.354 COC(=O)c1cc(Cl)ccc1Br PI-34137 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.354 COC(=O)c1cc(Cl)cnc1Cl PI-36933 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.354 COC(=O)c1cc(I)cnc1Cl PI-38829 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.354 Cc1ccc(N)cc1C(=O)OC PI-32080 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.354 Clc1ccc(Cl)cc1C(=O)CBr PI-31568 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.354 O=C(OC)C1=CC(O)=NC=C1Br PI-37406 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.354 OC1=CC=C(Br)C=C1C(CBr)=O PI-20573 [0,2,0,0,0,0|1,0,0]=3 1036 B12R1.354 Oc1ccc(Cl)cc1C(=O)CBr PI-20638 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.358 C1=C(C=C(C=C1Cl)Cl)C(=O)NN PI-50250 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.358 C1=C(C=C(C=C1F)F)C(=O)NN PI-50460 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.358 C1=C(C=C(C=C1N)N)C(=O)NN PI-50371 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.358 C1=C(C=C(C=C1O)O)C(=O)CBr PI-21652 [0,2,0,0,0,0|1,0,0]=3 1041 B12R1.358 C1=C(C=C(C=C1O)O)C(=O)NN PI-30925 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl PI-43952 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.358 CCC(=O)C1=CC(=CC(=C1)F)F PI-31055 [0,2,0,0,0,0|0,0,0]=2 1044 B12R1.358 COC(=O)C1=CC(=CC(=C1)Br)O PI-47173 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl PI-50527 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.358 COC(=O)C1=NC(=CC(=C1)Cl)Cl PI-50679 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.358 COC(=O)c1cc(Br)cc(c1)Br PI-30670 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.358 COC(=O)c1cc(Cl)nc(c1)Cl PI-39320 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.358 COC(=O)c1cc(O)cc(c1)O PI-18337 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 PI-39679 [0,2,0,0,0,0|1,0,0]=3 1051 B12R1.435 C1=CC(=CC(=C1)C(=O)CBr)C#N PI-20310 [0,2,0,0,0,0|1,0,0]=3 1052 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC PI-49387 [0,2,0,0,0,0|0,0,0]=2 1053 B12R1.435 COC(=O)C1=CC(=NC=C1)C#N PI-44381 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.435 COC(=O)C1=CC=CC(=C1)C#N PI-45902 [0,2,0,0,0,0|1,0,0]=3 1055 B12R1.435 COC(=O)C1=CC=CC(=C1)CBr PI-30071 [0,2,0,0,0,0|1,0,0]=3 1056 B12R1.435 COC(=O)c1cccc(C=O)c1 PI-27667 [0,2,0,0,0,0|1,0,0]=3 1057 B12R1.435 COC(=O)c1cccc(n1)C=O PI-38434 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.435 COC1=CC(=NC=C1)C(=O)OC PI-26535 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.435 COC1=CC=CC(=C1)C(=O)CBr PI-21567 [0,2,0,0,0,0|1,0,0]=3 1060 B12R1.435 COC1=CC=CC(=C1)C(=O)OC PI-50321 [0,2,0,0,0,0|1,0,0]=3 1061 B12R1.124 CN(C(=O)C1=CC=CC=C1N)N PI-17045 [0,2,0,0,0,0|1,0,0]=3 1062 B12R1.564 CC(C)(C(=O)C1=CC=CC=C1)Br PI-22167 [0,2,0,0,0,0|0,0,0]=2 1063 B12R1.564 NC(c1ccccc1)C(C)(C)C PI-22696 [0,2,0,0,0,0|1,0,1]=4 1064 B12R1.564 O=C(c1ccccc1)C(C)(C)C PI-29981 [0,2,0,0,0,0|0,0,0]=2 1065 B12R1.564 O=C(c1ccccc1)C(F)(F)Cl PI-20025 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.77 BrCC(=O)c1ccccc1OC PI-21566 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.77 C1=CC=C(C(=C1)C#N)C(=O)NN PI-50324 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.77 CNC1=CC=CC=C1C(=O)OC PI-50463 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.77 COC(=O)C1=CC=CC=C1C#C PI-46520 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.77 COC(=O)C1=CC=CC=C1C#N PI-50472 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.77 COC(=O)C1=CC=CC=C1C=O PI-27575 [0,2,0,0,0,0|1,0,0]=3 1072 B12R1.77 COC(=O)C1=CC=CC=C1CCl PI-46951 [0,2,0,0,0,0|1,0,0]=3 1073 B12R1.77 COC(=O)c1ccccc1CBr PI-15370 [0,2,0,0,0,0|1,0,0]=3 1074 B12R1.77 COC(=O)c1ccccc1CN PI-23083 [0,2,0,0,0,0|1,0,0]=3 1075 B12R1.77 COC(=O)c1ccccc1CO PI-36343 [0,2,0,0,0,0|1,0,0]=3 1076 B12R1.77 COC1=CC=CC=C1C(=O)CO PI-30335 [0,2,0,0,0,0|1,0,0]=3 1077 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.77 COC1=CC=CC=C1C(=O)OC PI-50275 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.3441 BrC1=C(C(=O)OC)C(=CC=C1)C PI-40797 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.3441 C1=CC(=C(C(=C1)Cl)C(=O)CBr)Cl PI-21603 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.3441 C1=CC(=C(C(=C1)F)C(=O)CBr)F PI-28642 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.3441 C1=CC(=C(C(=C1)F)C(=O)NN)F PI-50308 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.3441 COC(=O)C1=C(C=CC=C1Br)N PI-35916 [0,2,0,0,0,0|1,0,0]=3 1084 B12R1.3441 COC(=O)C1=C(C=CC=C1Cl)Cl PI-50416 [0,2,0,0,0,0|1,0,0]=3 1085 B12R1.3441 COC(=O)C1=C(C=CC=C1F)F PI-50306 [0,2,0,0,0,0|1,0,0]=3 1086 B12R1.3441 COC(=O)C1=C(C=CC=C1F)O PI-44540 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O PI-46968 [0,2,0,0,0,0|1,0,0]=3 1088 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [0,0,1,1,0,0|2,0,0]=4 1089 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,1]=4 1090 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|0,0,2]=4 1091 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|0,0,2]=4 1092 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|0,0,0]=2 1093 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,1]=4 1094 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|1,0,1]=4 1095 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|1,0,1]=4 1096 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|1,0,1]=4 1097 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|1,0,0]=3 1098 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 1099 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|2,0,0]=4 1100 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|1,0,1]=4 1101 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,0,0,1,0,1|1,0,1]=4 1102 B12R2.18 CC1C2=C(NC1=O)N=CC=C2 PI-41265 [0,0,0,1,0,1|1,0,0]=3 1103 B12R2.18 CN1C2=CC=CC=C2N=C1N PI-30188 [0,0,0,1,0,1|2,0,0]=4 1104 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [0,0,0,1,0,1|1,0,1]=4 1105 B12R2.18 Cn1c(C)cc2c1cccc2 PI-11083 [0,0,0,1,0,1|2,0,0]=4 1106 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,0,0,1,0,1|1,0,1]=4 1107 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,0,0,1,0,1|0,0,0]=2 1108 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,1|1,0,1]=4 1109 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,1|1,0,1]=4 1110 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,1|1,0,0]=3 1111 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,1|1,0,1]=4 1112 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,1|0,0,2]=4 1113 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,1|1,0,1]=4 1114 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,1|1,0,1]=4 1115 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,1|1,0,1]=4 1116 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,1|0,0,0]=2 1117 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,1|0,0,0]=2 1118 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,1|1,0,0]=3 1119 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,1|1,0,0]=3 1120 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,0,0,1,0,1|2,0,0]=4 1121 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,0,0,1,0,1|1,1,0]=4 1122 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CBr PI-14471 [0,0,0,1,0,1|1,1,0]=4 1123 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CO PI-14167 [0,0,0,1,0,1|1,1,0]=4 1124 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CN PI-45223 [0,0,0,1,0,1|2,0,0]=4 1125 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CO PI-14787 [0,0,0,1,0,1|2,0,0]=4 1126 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,0,1|1,0,0]=3 1127 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,0,0,1,0,1|0,0,1]=3 1128 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 PI-29608 [0,0,0,1,0,1|1,0,1]=4 1129 B12R2.32 CSC1=NC2=CC=CC=C2O1 PI-33936 [0,0,0,1,0,1|1,0,1]=4 1130 B12R2.32 CSC1=NC2=CC=CC=C2S1 PI-45375 [0,0,0,1,0,1|1,1,0]=4 1131 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PI-16189 [0,0,0,1,0,1|2,0,0]=4 1132 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,0,0,1,0,1|1,1,0]=4 1133 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [0,1,0,1,0,0|2,0,0]=4 1134 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,1,0,1,0,0|1,0,1]=4 1135 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,1,0,0|1,0,1]=4 1136 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,1,0,0|1,0,1]=4 1137 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|1,1,0]=4 1138 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,1,0,1,0,0|1,0,1]=4 1139 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [0,1,0,1,0,0|0,0,1]=3 1140 B12R2.1 CCN1C=NC2=C1C=CC=C2 PI-32332 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,1,0,0|1,0,1]=4 1142 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|2,0,0]=4 1143 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,1,0,1,0,0|1,0,0]=3 1144 B12R2.2 C1CN=C(N1)C2=CC=CC=C2 PI-32322 [0,1,0,1,0,0|1,0,0]=3 1145 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,1,0,1,0,0|1,0,1]=4 1146 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,1,0,1,0,0|0,0,2]=4 1147 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,1,0,1,0,0|0,0,2]=4 1148 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,1,0,1,0,0|0,0,2]=4 1149 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,1,0,1,0,0|0,0,2]=4 1150 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,1,0,1,0,0|1,0,1]=4 1151 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,1,0,1,0,0|0,0,2]=4 1152 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|0,0,0]=2 1153 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|0,0,0]=2 1154 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|0,0,0]=2 1155 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|0,0,0]=2 1156 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O PI-42243 [0,1,0,1,0,0|1,0,0]=3 1159 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|1,0,1]=4 1160 B12R2.1081 O=C1CCCc2ncccc12 PI-36251 [0,1,0,1,0,0|1,0,0]=3 1161 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|0,0,0]=2 1162 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,1,0,1,0,0|0,0,2]=4 1164 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,1,0,1,0,0|0,0,2]=4 1165 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,1,0,1,0,0|1,0,0]=3 1166 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,1,0,0|1,0,0]=3 1167 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,1,0,0|0,0,1]=3 1168 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,1,0,0|2,0,0]=4 1169 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,1,0,0|1,0,1]=4 1170 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,1,0,1,0,0|1,0,0]=3 1171 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|0,0,0]=2 1172 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,0]=3 1173 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,1,0,1,0,0|1,0,0]=3 1174 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,1,0,1,0,0|1,0,0]=3 1175 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,1,0,1,0,0|1,0,0]=3 1176 B12R2.612 C1C2=C(C=CC(=N2)Cl)C(=O)N1 PI-48341 [0,1,0,1,0,0|2,0,0]=4 1177 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|0,0,0]=2 1178 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|0,0,0]=2 1179 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|0,0,0]=2 1180 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|0,0,0]=2 1181 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|0,0,0]=2 1182 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,1,0,0|1,0,0]=3 1183 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,1,0,1,0,0|1,0,0]=3 1184 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|0,0,0]=2 1185 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|0,0,0]=2 1186 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,0]=3 1187 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [0,1,0,1,0,0|1,0,0]=3 1188 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [0,1,0,1,0,0|1,0,0]=3 1189 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|0,0,0]=2 1190 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|0,0,0]=2 1191 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|0,0,0]=2 1192 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|0,0,0]=2 1193 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|1,0,1]=4 1194 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|0,0,0]=2 1195 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,1,0,0|1,0,0]=3 1196 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|1,0,0]=3 1197 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|0,0,0]=2 1198 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|0,0,0]=2 1199 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|0,0,0]=2 1200 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|0,0,0]=2 1201 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|0,0,0]=2 1202 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|0,0,0]=2 1203 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|1,0,0]=3 1204 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,1,0,0|1,0,0]=3 1206 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|0,0,0]=2 1207 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|0,0,0]=2 1208 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|0,0,0]=2 1209 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|0,0,0]=2 1210 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,1,0|2,0,0]=4 1211 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,1,0|2,0,0]=4 1212 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,1,0|2,0,0]=4 1213 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,1,0|2,0,0]=4 1214 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,1,0|2,0,0]=4 1215 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,1,0|2,0,0]=4 1216 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,1,0|2,0,0]=4 1217 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [1,0,0,0,1,0|2,0,0]=4 1218 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,1,0|1,0,0]=3 1219 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [1,0,0,0,1,0|2,0,0]=4 1220 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [1,0,0,0,1,0|2,0,0]=4 1221 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [1,0,0,0,1,0|2,0,0]=4 1222 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,1,0|1,0,0]=3 1223 B8R1.7 CC(=O)n1cncc1 PI-31807 [1,0,0,0,1,0|2,0,0]=4 1224 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [1,0,0,0,1,0|2,0,0]=4 1225 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,1,0|2,0,0]=4 1226 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,1,0|2,0,0]=4 1227 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,1,0|2,0,0]=4 1228 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,1,0|2,0,0]=4 1229 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,0,0,0,0,2|2,0,0]=4 1230 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,0,0,0,0,2|1,0,0]=3 1231 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,0,0,0,0,2|1,0,0]=3 1232 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,0,0,0,0,2|1,0,0]=3 1233 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,0,0,0,0,2|2,0,0]=4 1234 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,0,0,0,0,2|2,0,0]=4 1235 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,0,0,0,0,2|0,0,2]=4 1236 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,0,0,0,0,2|0,0,0]=2 1237 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,0,0,0,0,2|1,1,0]=4 1238 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,0,0,0,0,2|1,0,0]=3 1239 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,0,0,0,0,2|1,0,0]=3 1240 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,0,0,0,0,2|1,0,0]=3 1241 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,0,0,0,0,2|2,0,0]=4