0 B5R0.3 C(=O)C(C=O)Br PI-39607 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C(=O)C(C=O)Cl PI-39590 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C(C(C=O)O)O PI-14881 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=CC(C=C)O PI-44995 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 CCC(=C)C=O PI-44654 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.3 CCC(=O)CBr PI-20588 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CCC(=O)NN PI-50290 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CNC(=O)CCl PI-39443 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CNC(=S)NN PI-30834 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 COC(=O)C#C PI-35828 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 C(=C(F)Cl)Cl PI-21037 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 C(=C(F)Cl)F PI-20042 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 C=C(CBr)Br PI-10979 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|0,0,2]=3 23 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|0,0,3]=4 30 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 CNN(C)C PI-40655 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 ClCC(Cl)=C PI-15434 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 C(=O)[N-]C=O PI-42986 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 CC=CCO PI-41583 [1,0,0,0,0,0|0,0,2]=3 38 B4R0.2 CCOC=C PI-12733 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 CNCC=C PI-41121 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.1 CC(CC=O)SC PI-48524 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|0,0,0]=1 46 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|1,0,2]=4 50 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,0,0,0,0|1,0,2]=4 51 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|0,0,2]=3 53 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.3 COC(=O)C(=C)F PI-39526 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.9 CCN(CC)N=O PI-47046 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.9 COC(C=C)OC PI-42093 [0,1,0,0,0,0|2,0,1]=4 61 B6R1.2 Brc1cscc1 PI-10760 [0,0,0,1,0,0|1,1,1]=4 62 B6R1.2 C1=C(C=NN1)Br PI-31345 [0,0,0,1,0,0|3,0,0]=4 63 B6R1.2 C1=C(C=NN1)Cl PI-33036 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.2 C1=C(C=NN1)I PI-21303 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.2 C1=C(C=NO1)Br PI-39735 [0,0,0,1,0,0|2,0,1]=4 66 B6R1.2 C1=CNC=C1F PI-49258 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 C1=CSC=C1F PI-49323 [0,0,0,1,0,0|1,1,1]=4 68 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 CC1=CC=CS1 PI-11146 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.2 CC1=CN=CN1 PI-44758 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 CC1=COC=C1 PI-41011 [0,0,0,1,0,0|0,0,2]=3 72 B6R1.2 CN1C=NN=C1 PI-36997 [0,0,0,1,0,0|3,0,0]=4 73 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.2 Cc1cncs1 PI-33497 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.2 ClC1=CSC=C1 PI-11160 [0,0,0,1,0,0|1,1,1]=4 77 B6R1.2 Cn1cncc1 PI-31809 [0,0,0,1,0,0|2,0,1]=4 78 B6R1.6 C1C(CO1)C=O PI-48343 [0,0,0,1,0,0|1,0,2]=4 79 B6R1.6 O=CC1CCC1 PI-36863 [0,0,0,1,0,0|0,0,2]=3 80 B6R1.7 CC1(CO1)C=C PI-48078 [0,0,0,1,0,0|2,0,1]=4 81 B3R0.1 C(=CBr)Br PI-47053 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.1 C(=CCl)F PI-20089 [2,0,0,0,0,0|2,0,0]=4 83 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,1]=3 84 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|1,0,1]=4 85 B3R0.1 CONC PI-16632 [2,0,0,0,0,0|2,0,0]=4 86 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 87 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|2,0,0]=4 88 B3R0.2 C=C(F)Br PI-14442 [2,0,0,0,0,0|2,0,0]=4 89 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|1,0,0]=3 91 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|1,0,0]=3 92 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|1,1,0]=4 93 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|0,0,2]=4 94 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.2 C[S+](C)C PI-41785 [2,0,0,0,0,0|1,0,1]=4 96 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|1,0,0]=3 97 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|1,0,0]=3 98 B5R0.1 BrCC=C(C)C PI-12725 [1,1,0,0,0,0|0,0,1]=3 99 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|1,0,1]=4 102 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|0,0,1]=3 103 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|0,0,0]=2 105 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|0,0,1]=3 107 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|0,0,1]=3 108 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.1 C\C=C\C(=O)N PI-50568 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 O=C=NC(C)C PI-11403 [1,1,0,0,0,0|0,0,2]=4 116 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.4 C=C[Si](C)(C)C PI-35331 [1,1,0,0,0,0|1,1,0]=4 120 B5R0.4 CC(C)(C)N=O PI-30849 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.4 CSS(=O)(=O)C PI-24302 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.4 C[Si](C)(C=C)Cl PI-45014 [1,1,0,0,0,0|1,1,0]=4 123 B5R0.5 CC(=C)C(=O)C PI-41913 [1,1,0,0,0,0|0,0,0]=2 124 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [1,1,0,0,0,0|1,0,0]=3 126 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.5 CC(C(=O)C)Br PI-35002 [1,1,0,0,0,0|0,0,1]=3 129 B5R0.5 CC(C(=O)C)S PI-48502 [1,1,0,0,0,0|0,0,1]=3 130 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [1,1,0,0,0,0|1,0,1]=4 132 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [1,1,0,0,0,0|1,0,1]=4 133 B5R0.5 CC(C(=O)N)C PI-28643 [1,1,0,0,0,0|0,0,1]=3 134 B5R0.5 CC(C(=O)N)N PI-16292 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.5 CC(C(=O)N)N PI-42205 [1,1,0,0,0,0|1,0,1]=4 136 B5R0.5 CC(C(=O)O)Br PI-47030 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.5 CC(C(=O)O)Cl PI-28351 [1,1,0,0,0,0|1,0,1]=4 138 B5R0.5 CC(C(=O)O)F PI-40363 [1,1,0,0,0,0|1,0,1]=4 139 B5R0.5 CC(C(=O)[O-])O PI-14769 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.5 CN(C)C(=O)N PI-50675 [1,1,0,0,0,0|1,0,0]=3 141 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.5 C[C@H](C(=O)O)O PI-36770 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.5 OC(=O)C(=O)C PI-15477 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.2 C(=O)NNC=O PI-50265 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.2 C(C=CCCl)Cl PI-40200 [1,1,0,0,0,0|1,0,1]=4 148 B5R0.2 CCO\C=C\C PI-12734 [1,1,0,0,0,0|1,0,1]=4 149 B5R0.2 COCCC=O PI-45882 [1,1,0,0,0,0|0,0,2]=4 150 B5R0.2 CSCCC=O PI-45744 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.2 O=CCCC=O PI-14232 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.2 OC\C=C\CO PI-40910 [1,1,0,0,0,0|0,0,2]=4 153 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,2,0,0,0,0|0,0,2]=4 154 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,2,0,0,0,0|2,0,0]=4 155 B7R0.3 COC(=O)CCC=O PI-48276 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.3 COC(=O)CNC=O PI-33232 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.10 CN(OC)C(=O)CCl PI-19826 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.10 CNC(=O)C(=O)NC PI-14652 [0,2,0,0,0,0|2,0,0]=4 162 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.11 CC(C)(CC=C)C=O PI-34825 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.13 CCC(C)(C)C(=O)Cl PI-25709 [0,2,0,0,0,0|0,0,2]=4 170 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [0,2,0,0,0,0|0,0,2]=4 171 B7R0.15 C(=C(C=O)[N+](=O)[O-])[O-] PI-46519 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [0,2,0,0,0,0|0,0,2]=4 173 B7R0.15 CNC(CO)C(=O)O PI-43688 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] PI-18865 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,2,0,0,0,0|0,0,2]=4 176 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,2,0,0,0,0|1,0,1]=4 179 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,1]=4 180 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|0,0,1]=3 181 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|1,0,1]=4 182 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|0,0,1]=3 183 B5R1.1 C1=CSC=C1 PI-45119 [1,0,0,1,0,0|0,1,1]=4 184 B5R1.1 C1=CSN=C1 PI-41498 [1,0,0,1,0,0|1,1,0]=4 185 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,1,0,0|1,0,1]=4 186 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,1,0,0|1,0,1]=4 187 B5R1.1 C1COC=C1 PI-45414 [1,0,0,1,0,0|0,0,2]=4 188 B5R1.1 O1N=CC=C1 PI-37186 [1,0,0,1,0,0|1,0,1]=4 189 B5R1.1 c1ccn[nH]1 PI-12159 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.1 BrCc1cscc1 PI-14311 [0,1,0,1,0,0|0,1,1]=4 191 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [0,1,0,1,0,0|1,0,1]=4 192 B7R1.1 C1=C(N=CS1)C=O PI-25454 [0,1,0,1,0,0|1,0,1]=4 193 B7R1.1 C1=C(N=NS1)C=O PI-29425 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.1 C1=C(NC=N1)C=O PI-34783 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.1 C1=CNC=C1C=O PI-34088 [0,1,0,1,0,0|0,0,2]=4 196 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.1 C1=CSC=C1CN PI-31789 [0,1,0,1,0,0|0,1,1]=4 198 B7R1.1 C1=N[NH]C=C1CO PI-39407 [0,1,0,1,0,0|2,0,0]=4 199 B7R1.1 CCC1=CSC=C1 PI-35073 [0,1,0,1,0,0|0,1,1]=4 200 B7R1.1 COc1cscc1 PI-27269 [0,1,0,1,0,0|0,1,1]=4 201 B7R1.1 CSC1=CSC=C1 PI-29322 [0,1,0,1,0,0|0,1,1]=4 202 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,1,0,0|0,0,0]=2 203 B7R1.1 O=CC1=NC=CO1 PI-39572 [0,1,0,1,0,0|1,0,1]=4 204 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,1,0,1,0,0|1,0,1]=4 205 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,1,0,1,0,0|0,0,2]=4 206 B7R1.1 O=Cc1cnco1 PI-38922 [0,1,0,1,0,0|1,0,1]=4 207 B7R1.1 O=Cc1cncs1 PI-25019 [0,1,0,1,0,0|1,0,1]=4 208 B7R1.1 O=Cc1cscc1 PI-10763 [0,1,0,1,0,0|0,0,2]=4 209 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.1 O=Cc1nccs1 PI-11133 [0,1,0,1,0,0|1,0,1]=4 211 B7R1.1 OCc1cscc1 PI-29874 [0,1,0,1,0,0|0,1,1]=4 212 B7R1.2 Brc1c[nH]c(n1)C PI-14475 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,1,0,1,0,0|2,0,0]=4 216 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,1,0,1,0,0|1,1,0]=4 218 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,1,0,1,0,0|1,0,1]=4 219 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,1,0,1,0,0|1,0,0]=3 221 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,1,0,1,0,0|1,0,0]=3 223 B7R1.2 CC1=CN=C(S1)Br PI-45050 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,1,0,1,0,0|1,0,0]=3 225 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,1,0,1,0,0|1,0,0]=3 227 B7R1.2 CC1=CSC(=N1)Br PI-40542 [0,1,0,1,0,0|1,1,0]=4 228 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,1,0,1,0,0|0,1,0]=3 229 B7R1.2 CC1=CSC(=S)N1 PI-30630 [0,1,0,1,0,0|1,1,0]=4 230 B7R1.2 CC1=CSC(Cl)=N1 PI-40543 [0,1,0,1,0,0|1,1,0]=4 231 B7R1.2 CC1=NC=C(N1)I PI-45234 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.2 CC1=NC=C(S1)Br PI-44984 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.2 CN1C=C(C=N1)Br PI-34811 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.2 CN1C=C(C=N1)Cl PI-34753 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.2 CN1C=C(C=N1)I PI-31346 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,1,0,0|0,0,2]=4 238 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.2 Cc1ccn(n1)C PI-37587 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 Cc1cnc(s1)N PI-31294 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 Cc1csc(n1)N PI-31078 [0,1,0,1,0,0|1,1,0]=4 246 B7R1.2 Cc1scc(c1)C PI-29816 [0,1,0,1,0,0|0,1,0]=3 247 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.2 NC1=NC=C(C)N1 PI-40524 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.3 CC1=CC=CC=N1 PI-38534 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.3 CC1=CCCCC1 PI-42686 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.3 CC1=CCOCC1 PI-42722 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.3 CC1=NC=CN=C1 PI-48495 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.4 Brc1cscc1C PI-39112 [0,1,0,1,0,0|0,1,1]=4 261 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|0,0,2]=4 262 B7R1.4 CC1=C(Br)NC=N1 PI-39631 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.4 CC1=C(OC=N1)C PI-35004 [0,1,0,1,0,0|0,0,1]=3 264 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,1,0,1,0,0|0,1,1]=4 265 B7R1.4 CC1=C(SC=N1)Br PI-50077 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.4 CC1=C(SC=N1)C PI-11140 [0,1,0,1,0,0|0,1,0]=3 267 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|0,0,0]=2 268 B7R1.4 CC1=CNN=C1C PI-41141 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.4 CC1=CSC=C1C PI-35053 [0,1,0,1,0,0|0,1,0]=3 270 B7R1.4 CC1=NC=CN1C PI-31811 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 CC1=NNC=C1Br PI-13601 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 CC1=NNC=C1I PI-33035 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.4 Cc1ccsc1Br PI-10990 [0,1,0,1,0,0|0,1,1]=4 275 B7R1.4 Cn1nccc1C PI-37575 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.4 Cn1sccc1=O PI-11861 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,1,0,1,0,0|0,1,1]=4 279 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|0,0,2]=4 281 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,1,0,1,0,0|0,0,2]=4 282 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [0,1,0,1,0,0|0,0,2]=4