0 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 C1=CC=C(C=C1)NNC=O PI-29787 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [0,0,0,0,0,0|1,1,0]=2 16 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.17 CNCCc1ccncc1 PI-12002 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 ClCCCc1ccccc1 PI-33374 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 ClCSCc1ccccc1 PI-19537 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.17 N#CSCc1ccccc1 PI-32979 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.17 NCCCc1ccccc1 PI-11351 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 O=CC#Cc1ccccc1 PI-33868 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.17 OCCCc1ccccn1 PI-33813 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 OCCCc1ccncc1 PI-31736 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|0,1,0]=2 32 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.8 C1=CN=CC=C1C=NO PI-41016 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 O\N=C\c1ccccn1 PI-38007 [1,0,0,0,0,0|2,0,1]=4 61 B11R1.1 C#CCOc1ccc(cc1)N PI-38734 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.1 C1=CC(=CC=C1F)SCC#N PI-29273 [0,1,0,0,0,0|1,1,1]=4 67 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,1,0,0,0,0|0,0,0]=1 70 B11R1.1 C1=CC(=CC=C1SCC#N)Cl PI-30240 [0,1,0,0,0,0|1,1,1]=4 71 B11R1.1 C=CCOC1=CC=C(C=C1)Cl PI-30132 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.1 CC1=CC=C(C=C1)OCC#N PI-30497 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.1 N#CCOc1ccc(F)cc1 PI-23816 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.1 N#CCOc1ccc(cc1)Cl PI-30527 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.1 OCC#Cc1ccc(Cl)cc1 PI-20218 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.16 OCCN(c1ccccn1)C PI-28090 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.17 C1=CC=C(C(=C1)C#CCO)Br PI-14510 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.17 C1=CC=C(C(=C1)C#CCO)Cl PI-20216 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.17 OCCSc1ccccc1Br PI-22561 [0,1,0,0,0,0|0,1,0]=2 109 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.24 C1=CC(=CC(=C1)Br)C#CCO PI-14511 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.24 C1=CC(=CC(=C1)Cl)C#CCO PI-20217 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.24 CCCOC1=CC=NC(=S)N1 PI-12578 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.24 COCOC1=CC(=CC=C1)Br PI-43270 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [0,1,0,0,0,0|0,1,0]=2 116 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.28 C1=CC=NC(=C1)CNCCO PI-34035 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.28 NCCOCc1ccccc1 PI-36880 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.28 OCCSCc1ccccc1 PI-20759 [0,1,0,0,0,0|0,1,0]=2 129 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [0,1,0,0,0,0|0,0,1]=2 138 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [0,1,0,0,0,0|0,0,2]=3 139 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.91 OC(=O)C#Cc1ccccc1 PI-28707 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,0,1,0,0,0|3,0,0]=4 149 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|1,0,2]=4 151 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|0,1,2]=4 152 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|0,0,2]=3 154 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|0,0,2]=3 155 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|1,0,2]=4 156 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,1,0,0|2,0,1]=4 158 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|2,0,0]=3 159 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|2,0,0]=3 160 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|2,0,0]=3 161 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|0,1,2]=4 162 B11R2.1 On1nnc2ccccc12 PI-15275 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.1 On1nnc2ccccc12 PI-15359 [0,0,0,1,0,0|3,0,0]=4 164 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|2,0,0]=3 165 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,0,1,0,0|2,0,1]=4 166 B11R2.20 C1CC2=C(C=CC=N2)NC1 PI-47349 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.20 C1CC2=C(C=CN=C2)NC1 PI-47348 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [0,0,0,1,0,0|3,0,0]=4 169 B11R2.20 C1CCc2ccccc2N1 PI-32264 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.20 C1CCc2cccnc2C1 PI-10313 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.20 C1COC2=C(N1)N=CC=C2 PI-34187 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,0,1,0,0|0,0,0]=1 176 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [0,0,0,1,0,0|1,1,0]=3 177 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,0,0,1,0,0|3,0,0]=4 178 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,0,1,0,0|1,0,0]=2 179 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,0,0,0,1,0|3,0,0]=4 180 B9R1.12 CCCCC1=CSC=C1 PI-36456 [0,0,0,0,1,0|3,0,0]=4 181 B8R0.1 CCOC(=O)C=CC=O PI-40874 [1,0,1,0,0,0|2,0,0]=4 182 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 184 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|1,0,0]=3 189 B8R1.2 C1=CN=CN=C1CO PI-35498 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|1,0,0]=3 198 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|1,0,0]=3 199 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.2 COC1=NC=CN=C1 PI-11859 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|1,1,0]=4 202 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 215 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|0,0,0]=2 229 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|0,0,0]=2 230 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|0,0,0]=2 231 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|1,1,0]=4 232 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|0,0,0]=2 236 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.1 CCOC1=NC=C(C=C1)Br PI-23209 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.1 CCOC1=NC=C(C=N1)Br PI-44892 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.1 CCOC1=NC=C(C=N1)Br PI-44917 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.1 CCOc1ccc(cn1)N PI-33888 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|0,0,0]=2 244 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|0,0,0]=2 252 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|0,0,0]=2 265 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|0,0,0]=2 266 B10R1.4 CCOC1=NC=CN=C1C PI-11922 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.4 CCOc1ccncc1N PI-33891 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.4 NC1=NC=CN=C1OCC PI-46792 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|0,0,0]=2 286 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.10 CCOC1=NC=CC(=C1)N PI-31798 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,1,0,0,0,0|0,0,0]=2 301 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|0,0,1]=3 320 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|0,0,0]=2 322 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|0,0,2]=4 329 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.18 ClC(=S)Oc1ccccc1 PI-13044 [1,1,0,0,0,0|0,1,1]=4 334 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [1,1,0,0,0,0|1,0,1]=4 336 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [0,2,0,0,0,0|1,0,0]=3 339 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.1 ClCCCOc1ccc(F)cc1 PI-16895 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.1 OCCNCc1ccc(cc1)F PI-10001 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.21 C1=CC(=CC=C1N)SCC(=O)O PI-17023 [0,2,0,0,0,0|0,1,1]=4 353 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.21 C1=CC(=CC=C1OCC(=O)Cl)Cl PI-48840 [0,2,0,0,0,0|0,0,2]=4 355 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Br PI-11970 [0,2,0,0,0,0|0,0,1]=3 356 B12R1.21 C1=CC(=CC=C1OCC(=O)O)Cl PI-32616 [0,2,0,0,0,0|0,0,1]=3 357 B12R1.21 C1=CC(=CC=C1OCC(=O)O)F PI-10469 [0,2,0,0,0,0|0,0,1]=3 358 B12R1.21 C1=CC(=CC=C1OCC(=O)O)I PI-12100 [0,2,0,0,0,0|0,0,1]=3 359 B12R1.21 C1=CC(=CC=C1OCC(=O)[O-])Cl PI-48839 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.21 ClC(=O)COc1ccc(F)cc1 PI-23819 [0,2,0,0,0,0|0,0,2]=4 362 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [0,2,0,0,0,0|1,0,1]=4 364 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.21 OC(=O)CNc1ccc(cc1)F PI-38811 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.21 OC(=O)COc1ccc(C)cc1 PI-30986 [0,2,0,0,0,0|0,0,1]=3 367 B12R1.69 C#CCOC1=C(C=C(C=C1)Cl)Cl PI-21081 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-11318 [0,2,0,0,0,0|0,0,0]=2 369 B12R1.69 C1=CC(=C(C=C1N)N)OCCO PI-28739 [0,2,0,0,0,0|0,0,0]=2 370 B12R1.69 OCCSc1ccc(C)cc1C PI-23963 [0,2,0,0,0,0|0,1,0]=3 371 B12R1.71 C1=CC(=CC=C1C=O)OCCCl PI-27691 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.71 C1=CC(=CC=C1CCCBr)C#N PI-48396 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.71 C=CCOC1=CC=C(C=C1)C=O PI-27573 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.71 CCCCC1=CC=C(C=C1)C#C PI-30936 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.71 CCCCC1=CC=C(C=C1)C#N PI-22884 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.71 CCCCC1=CC=C(C=C1)C=O PI-27108 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.71 CCCCC1=CC=C(C=C1)CN PI-30734 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.71 CCCCC1=CC=C(C=C1)NN PI-22988 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.71 COC1=CC=C(C=C1)CCCCl PI-19747 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.71 OCC1=CC=C(OCC#C)C=C1 PI-40760 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.71 OCCCc1ccc(cc1)OC PI-40026 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.71 OCCOc1ccc(cc1)C=O PI-27350 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.385 CCCOC1=CC(=C(C=C1)N)N PI-15804 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.385 CCCSC1=CC(=C(C=C1)N)N PI-32069 [0,2,0,0,0,0|1,1,0]=4 386 B12R1.385 OCCNc1ccc(c(c1)O)C PI-16012 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.385 OCCSc1ccc(C)c(C)c1 PI-23966 [0,2,0,0,0,0|0,1,0]=3 388 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.30 CN(CCC#N)C1=CC=CC=C1 PI-25978 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl PI-20052 [0,2,0,0,0,0|1,1,0]=4 397 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.121 BrCCOc1ccccc1CC PI-13475 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.121 C#CCOc1ccccc1C=O PI-27448 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.121 C1=CC=C(C(=C1)C=O)OCCO PI-27349 [0,2,0,0,0,0|0,0,0]=2 408 B12R1.121 C=CCOC1=CC=CC=C1C=O PI-27430 [0,2,0,0,0,0|1,0,1]=4 409 B12R1.121 COC1=CC=CC=C1OCCN PI-16392 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.121 NCCOc1ccccc1OC PI-16391 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,2,0,0,0,0|0,0,1]=3 415 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,2,0,0,0,0|0,0,1]=3 417 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.374 Cc1ccc(C)cc1SCCO PI-23964 [0,2,0,0,0,0|0,1,0]=3 419 B12R1.1631 OCCSc1c(C)cccc1C PI-23965 [0,2,0,0,0,0|0,1,0]=3 420 B12R1.100 OCCSc1cc(C)cc(C)c1 PI-23967 [0,2,0,0,0,0|0,1,0]=3 421 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,2,0,0,0,0|0,0,1]=3 422 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,2,0,0,0,0|0,0,1]=3 425 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.382 C1=CC(=CC(=C1)C#CCO)C=O PI-26199 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.382 C1=CC(=CC(=C1)OCCO)C=O PI-27769 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.382 CNC1=CC=CC(=C1)CCCO PI-12563 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.382 COCOC1=CC=CC(=C1)C=O PI-26117 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.8 C1=CC=C(C=C1)C#CCCCO PI-30372 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [0,2,0,0,0,0|0,0,1]=3 437 B12R1.8 OCCCNCc1ccccc1 PI-28560 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,2,0,0,0,0|0,0,1]=3 440 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,2,0,0,0,0|0,0,2]=4 441 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,2,0,0,0,0|0,0,0]=2 442 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,2,0,0,0,0|0,1,1]=4 444 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [0,2,0,0,0,0|0,0,0]=2 453 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [0,2,0,0,0,0|0,0,2]=4 454 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [0,2,0,0,0,0|1,0,1]=4 456 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [0,2,0,0,0,0|0,0,1]=3 457 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-10517 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O PI-46947 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,2,0,0,0,0|0,0,1]=3 461 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 PI-31261 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 PI-28788 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.891 C1=CC=C(C=C1)CCC(F)(F)F PI-19167 [0,2,0,0,0,0|2,0,0]=4 465 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|1,0,0]=3 466 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|0,0,0]=2 467 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|0,0,0]=2 468 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 469 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|1,0,1]=4 470 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|2,0,0]=4 471 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|1,0,0]=3 472 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|0,0,0]=2 473 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|1,0,0]=3 474 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|0,0,2]=4 475 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 476 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,1,0,1,0,0|2,0,0]=4 477 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.24 C1COC2=C(N1)C=C(C=C2)O PI-49017 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.24 C1COC2=C(O1)C=CC(=C2)Br PI-28606 [0,1,0,1,0,0|0,0,0]=2 482 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.24 Nc1ccc2c(c1)OCCO2 PI-33749 [0,1,0,1,0,0|0,0,0]=2 487 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|0,0,2]=4 490 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.2 C1CN=C(N1)C2=CC=CC=C2 PI-32322 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,1,0,1,0,0|0,0,0]=2 495 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,1,0,1,0,0|1,0,0]=3 498 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44889 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.1081 C1CC2=C(C=CC=C2Br)NC1 PI-44914 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|1,0,1]=4 502 B12R2.1081 C1COC2=C(C1O)N=CC=C2 PI-36563 [0,1,0,1,0,0|1,0,0]=3 503 B12R2.1081 C1COC2=C(N1)C=CC=C2O PI-36585 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|0,1,1]=4 505 B12R2.1081 CC1=C2C(=CC=C1)CCCN2 PI-29657 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|1,0,0]=3 509 B12R2.1081 Nc1cccc2c1CCCC2 PI-25360 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.1081 Nc1cccc2c1OCCO2 PI-34758 [0,1,0,1,0,0|0,0,0]=2 511 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|0,0,1]=3 512 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,1,0,1,0,0|1,0,0]=3 513 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.1081 Oc1cccc2c1CCCC2 PI-18635 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.32 C1=CC=C2C(=C1)C=C(N2)CO PI-45001 [0,1,0,1,0,0|1,0,1]=4 517 B12R2.32 C1=CC=C2C(=C1)C=C(S2)CO PI-20808 [0,1,0,1,0,0|0,1,1]=4 518 B12R2.32 C1=CC=C2C(=C1)N=C(S2)CO PI-14167 [0,1,0,1,0,0|0,1,1]=4 519 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CO PI-14787 [0,1,0,1,0,0|1,0,1]=4 520 B12R2.32 CCC1=CC2=CC=CC=C2O1 PI-17342 [0,1,0,1,0,0|1,0,1]=4 521 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 PI-29608 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|0,0,2]=4 524 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,1,0,0|0,0,2]=4 525 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|0,0,2]=4 526 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|1,0,0]=3 527 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,1,0,1,0,0|0,0,1]=3 529 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|1,0,1]=4 531 B12R2.2057 C1(NCC2=CC=CC=C2)CC1 PI-19108 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32351 [0,1,0,1,0,0|0,0,0]=2 533 B12R2.2057 C1C(O1)COC2=CC=CC=C2 PI-32352 [0,1,0,1,0,0|0,0,0]=2 534 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,1,0,1,0,0|1,0,0]=3 535 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.8 C1=C(NC=N1)CCO PI-31941 [1,0,0,0,1,0|2,0,0]=4 542 B8R1.8 CCOC1=NC=CS1 PI-11123 [1,0,0,0,1,0|2,0,0]=4 543 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|2,0,0]=4 544 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|1,0,0]=3 545 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|1,0,0]=3 546 B8R1.8 OCCn1cncc1 PI-20761 [1,0,0,0,1,0|2,0,0]=4