0 B6R1.2 Brc1cscc1 PI-10760 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 Brc1cscn1 PI-38310 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 C1=CSC=C1F PI-49323 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 C1C=CCC1N PI-35476 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 C1CNCC1F PI-37496 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 C1CNCC1N PI-12334 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C1CNCC1N PI-15467 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 C1CNCC1N PI-15468 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 C1CNCC1N PI-16581 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 C1CNCC1N PI-16582 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 C1CNCC1O PI-10126 [0,0,0,0,0,0|1,0,2]=3 11 B6R1.2 C1CNCC1O PI-42733 [0,0,0,0,0,0|1,0,2]=3 12 B6R1.2 C1COC(=O)N1 PI-10783 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 C1COCC1Cl PI-42699 [0,0,0,0,0,0|1,1,1]=3 14 B6R1.2 C1COCC1N PI-42643 [0,0,0,0,0,0|1,1,1]=3 15 B6R1.2 C1COCC1N PI-44061 [0,0,0,0,0,0|1,1,1]=3 16 B6R1.2 C1COCC1O PI-42698 [0,0,0,0,0,0|0,1,2]=3 17 B6R1.2 C1CSC(=S)N1 PI-33314 [0,0,0,0,0,0|3,1,0]=4 18 B6R1.2 C1CSCC1=O PI-11167 [0,0,0,0,0,0|0,0,0]=0 19 B6R1.2 C1CSCC1O PI-48171 [0,0,0,0,0,0|0,0,2]=2 20 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,0,0,0,0,0|2,0,1]=3 21 B6R1.2 CC1CCCN1 PI-35484 [0,0,0,0,0,0|3,0,1]=4 22 B6R1.2 CC1CCCN1 PI-35485 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 CC1CCCS1 PI-47093 [0,0,0,0,0,0|3,0,1]=4 24 B6R1.2 CC1CCNC1 PI-48326 [0,0,0,0,0,0|2,0,1]=3 25 B6R1.2 CC1CNCC1 PI-36287 [0,0,0,0,0,0|2,0,1]=3 26 B6R1.2 CN1CCCC1 PI-49852 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 C[C@@H]1CCNC1 PI-48327 [0,0,0,0,0,0|2,0,1]=3 28 B6R1.2 ClC1=CSC=C1 PI-11160 [0,0,0,0,0,0|1,0,3]=4 29 B6R1.2 FC1CNCC1 PI-38496 [0,0,0,0,0,0|2,0,1]=3 30 B6R1.2 F[C@@H]1CNCC1 PI-37497 [0,0,0,0,0,0|2,0,1]=3 31 B6R1.2 IC1COCC1 PI-42701 [0,0,0,0,0,0|1,1,1]=3 32 B6R1.2 NC1=NCCS1 PI-15432 [0,0,0,0,0,0|4,0,0]=4 33 B6R1.2 NC1CCNC1 PI-42734 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 NC1COCC1 PI-42705 [0,0,0,0,0,0|1,1,1]=3 35 B6R1.2 NN1CCCC1 PI-14899 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 O=C1CC=CC1 PI-38266 [0,0,0,0,0,0|1,0,1]=2 37 B6R1.2 O=C1CCOC1 PI-42678 [0,0,0,0,0,0|0,1,0]=1 38 B6R1.2 O=C1NCNC1 PI-35001 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 O=c1occo1 PI-15331 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 OC1CC=CC1 PI-38265 [0,0,0,0,0,0|1,0,3]=4 41 B6R1.2 OC1COCC1 PI-20870 [0,0,0,0,0,0|0,1,2]=3 42 B6R1.2 O[C@@H]1CCOC1 PI-41161 [0,0,0,0,0,0|0,1,2]=3 43 B6R1.2 O[C@@H]1CNCC1 PI-10127 [0,0,0,0,0,0|1,0,2]=3 44 B6R1.2 O[C@@H]1CNCC1 PI-12902 [0,0,0,0,0,0|1,0,2]=3 45 B6R1.2 O[C@H]1CCOC1 PI-41160 [0,0,0,0,0,0|0,1,2]=3 46 B6R1.2 O[C@H]1CNCC1 PI-10148 [0,0,0,0,0,0|1,0,2]=3 47 B5R1.1 C1=CSC=C1 PI-45119 [1,0,0,0,0,0|0,0,3]=4 48 B5R1.1 C1=CSC=N1 PI-45012 [1,0,0,0,0,0|1,0,2]=4 49 B5R1.1 C1=CSN=C1 PI-41498 [1,0,0,0,0,0|1,0,2]=4 50 B5R1.1 C1C=CCN1 PI-36315 [1,0,0,0,0,0|1,0,1]=3 51 B5R1.1 C1C=CCN1 PI-40188 [1,0,0,0,0,0|1,0,1]=3 52 B5R1.1 C1COC=C1 PI-45414 [1,0,0,0,0,0|0,1,1]=3 53 B7R1.1 C1=C(N=CS1)C=O PI-25454 [0,1,0,0,0,0|1,0,2]=4 54 B7R1.1 C1=C(N=NS1)C=O PI-29425 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 C1CCC(C1)CO PI-44131 [0,1,0,0,0,0|1,0,2]=4 56 B7R1.1 C1CCC(C1)ON PI-47243 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.1 C1CCN(C1)N=O PI-47048 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 C1CNCC1CO PI-40189 [0,1,0,0,0,0|1,0,2]=4 59 B7R1.1 C1CNCC1CO PI-40190 [0,1,0,0,0,0|1,0,2]=4 60 B7R1.1 C1COCC1CBr PI-42703 [0,1,0,0,0,0|1,1,1]=4 61 B7R1.1 C1COCC1CCl PI-42702 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.1 C1COCC1CO PI-41224 [0,1,0,0,0,0|0,1,2]=4 63 B7R1.1 CCN1CCCC1 PI-47092 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 ICC1COCC1 PI-42704 [0,1,0,0,0,0|1,1,1]=4 65 B7R1.1 NNC1CCCC1 PI-36366 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.1 NNC1CCCC1 PI-38997 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 O=CC1=CCCC1 PI-39104 [0,1,0,0,0,0|1,0,1]=3 68 B7R1.1 O=Cc1cscc1 PI-10763 [0,1,0,0,0,0|0,0,3]=4 69 B7R1.2 C1C(=O)COC1=O PI-17979 [0,1,0,0,0,0|0,1,1]=3 70 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,1,0,0,0,0|1,0,1]=3 71 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,1,0,0,0,0|1,0,1]=3 73 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,1,0,0,0,0|1,0,1]=3 74 B7R1.2 C1C(CNC1=O)N PI-35851 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 C1C(COC1=O)O PI-28663 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.2 C1CC(CC1N)O PI-44226 [0,1,0,0,0,0|1,0,2]=4 77 B7R1.2 C1CC(CC1O)O PI-43989 [0,1,0,0,0,0|1,0,2]=4 78 B7R1.2 CC1CCC(C1)O PI-44641 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.2 CC1COC(=O)N1 PI-35869 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 CN1CCC(O)C1 PI-33498 [0,1,0,0,0,0|1,0,2]=4 81 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,1,0,0,0,0|1,0,1]=3 86 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,1,0,0,0,0|2,0,1]=4 93 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,0,0,0|1,1,0]=3 95 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.4 C1COC(C1Cl)Cl PI-13234 [0,1,0,0,0,0|1,1,1]=4 100 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,0,0,0|1,1,1]=4 101 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,0,0,0|0,1,0]=2 103 B7R1.4 CC1C(CCO1)S PI-14229 [0,1,0,0,0,0|0,2,1]=4 104 B7R1.4 Cn1sccc1=O PI-11861 [0,1,0,0,0,0|1,0,2]=4 105 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,0,0,0|1,1,0]=3 106 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,0,0,0|1,0,2]=4 110 B7R1.4 O[C@@H]1CCC[C@H]1O PI-39444 [0,1,0,0,0,0|1,0,2]=4 111 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,0,0,0|1,0,2]=4 112 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,0,0,0|1,0,2]=4 113 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,0,0,0|1,0,2]=4 114 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,1,0,0,0,0|2,0,1]=4 115 B7R1.14 CC1(O)CCCC1 PI-36469 [0,1,0,0,0,0|1,0,2]=4 116 B7R1.14 C[Si]1(CCCC1)C PI-45650 [0,1,0,0,0,0|2,1,0]=4 117 B7R1.14 FC1(F)CNCC1 PI-21240 [0,1,0,0,0,0|2,0,1]=4 118 B7R1.14 O=S1(=O)CCCO1 PI-32116 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.1 BrCC=C(C)C PI-12725 [0,0,1,0,0,0|2,0,1]=4 120 B5R0.1 BrCCN(C)C PI-41040 [0,0,1,0,0,0|3,0,0]=4 121 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,0,1,0,0,0|2,0,1]=4 122 B5R0.1 C(CBr)C(=O)Cl PI-47061 [0,0,1,0,0,0|2,0,0]=3 123 B5R0.1 C(CCl)C(=O)Cl PI-48842 [0,0,1,0,0,0|2,0,0]=3 124 B5R0.1 CC#CC(=O)O PI-12861 [0,0,1,0,0,0|2,0,1]=4 125 B5R0.1 CC(=C)CCBr PI-40493 [0,0,1,0,0,0|2,0,0]=3 126 B5R0.1 CC(=O)NCO PI-29791 [0,0,1,0,0,0|1,1,0]=3 127 B5R0.1 CC(CCO)N PI-34839 [0,0,1,0,0,0|1,1,1]=4 128 B5R0.1 CC(CCO)N PI-35494 [0,0,1,0,0,0|1,1,1]=4 129 B5R0.1 CC(CCO)O PI-15618 [0,0,1,0,0,0|0,1,2]=4 130 B5R0.1 CC=CC(=O)C PI-45740 [0,0,1,0,0,0|1,0,1]=3 131 B5R0.1 CCCC(=O)N PI-32787 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.1 CCCC(C)N PI-36925 [0,0,1,0,0,0|2,0,1]=4 133 B5R0.1 CCCC(C)O PI-42533 [0,0,1,0,0,0|1,0,2]=4 134 B5R0.1 CCC[C@@H](O)C PI-42532 [0,0,1,0,0,0|1,0,2]=4 135 B5R0.1 CCOC(=O)C PI-13192 [0,0,1,0,0,0|2,0,0]=3 136 B5R0.1 CCSC(=O)C PI-48509 [0,0,1,0,0,0|2,0,0]=3 137 B5R0.1 CCSC(=O)Cl PI-38596 [0,0,1,0,0,0|3,0,0]=4 138 B5R0.1 CNCC(=O)O PI-45053 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.1 COCC(O)C PI-12912 [0,0,1,0,0,0|0,1,2]=4 140 B5R0.1 CSCC(=O)N PI-36555 [0,0,1,0,0,0|1,0,0]=2 141 B5R0.1 C[C@H](CCO)N PI-35493 [0,0,1,0,0,0|1,1,1]=4 142 B5R0.1 C\C=C\C(=O)N PI-50568 [0,0,1,0,0,0|2,0,1]=4 143 B5R0.1 C\C=C\C(=O)O PI-48966 [0,0,1,0,0,0|2,0,1]=4 144 B5R0.1 NC(CCC)=N PI-37197 [0,0,1,0,0,0|3,0,0]=4 145 B5R0.1 NCCC(=O)O PI-14317 [0,0,1,0,0,0|2,0,0]=3 146 B5R0.1 O=C(O)CCS PI-40342 [0,0,1,0,0,0|1,0,0]=2 147 B5R0.1 O=S(CSC)C PI-39632 [0,0,1,0,0,0|1,0,0]=2 148 B5R0.1 OC(CON)=O PI-37190 [0,0,1,0,0,0|2,1,0]=4 149 B5R0.1 OCCC(=C)Br PI-34814 [0,0,1,0,0,0|1,1,1]=4 150 B5R0.1 OCCC(=O)O PI-20855 [0,0,1,0,0,0|1,1,0]=3 151 B5R0.1 OCC[C@H](O)C PI-15617 [0,0,1,0,0,0|0,1,2]=4 152 B5R0.2 BrCCCC=C PI-39146 [0,0,1,0,0,0|3,0,0]=4 153 B5R0.2 BrCCSCC PI-21417 [0,0,1,0,0,0|1,0,1]=3 154 B5R0.2 CCCSSC PI-48493 [0,0,1,0,0,0|2,0,1]=4 155 B5R0.2 CCNCCN PI-13215 [0,0,1,0,0,0|2,0,1]=4 156 B5R0.2 CCO\C=C\C PI-12734 [0,0,1,0,0,0|1,1,1]=4 157 B5R0.2 CCSCCN PI-22120 [0,0,1,0,0,0|1,0,1]=3 158 B5R0.2 CCSSCC PI-45874 [0,0,1,0,0,0|2,0,1]=4 159 B5R0.2 CNCCNC PI-39066 [0,0,1,0,0,0|3,0,0]=4 160 B5R0.2 CNCCSC PI-35879 [0,0,1,0,0,0|2,0,0]=3 161 B5R0.2 COCCC=O PI-45882 [0,0,1,0,0,0|0,1,0]=2 162 B5R0.2 COCCCCl PI-38032 [0,0,1,0,0,0|1,1,1]=4 163 B5R0.2 COCCCO PI-10094 [0,0,1,0,0,0|0,1,2]=4 164 B5R0.2 CSCCC=O PI-45744 [0,0,1,0,0,0|0,0,0]=1 165 B5R0.2 O=CCCC=O PI-14232 [0,0,1,0,0,0|2,0,0]=3 166 B5R0.2 OCCCC=C PI-13243 [0,0,1,0,0,0|3,0,0]=4 167 B5R0.3 C(C(=O)NN)O PI-50333 [0,0,1,0,0,0|2,1,0]=4 168 B5R0.3 C(C(=O)NN)S PI-50542 [0,0,1,0,0,0|2,0,0]=3 169 B5R0.3 CCC(=C)C=O PI-44654 [0,0,1,0,0,0|1,1,1]=4 170 B5R0.3 CCC(=O)CBr PI-20588 [0,0,1,0,0,0|1,0,0]=2 171 B5R0.3 CCC(=O)NN PI-50290 [0,0,1,0,0,0|2,0,0]=3 172 B5R0.3 CCC(CO)N PI-45910 [0,0,1,0,0,0|1,1,1]=4 173 B5R0.3 CNC(=O)CCl PI-39443 [0,0,1,0,0,0|2,0,0]=3 174 B5R0.3 COC(=O)C#C PI-35828 [0,0,1,0,0,0|2,0,1]=4 175 B5R0.3 ClCC(=C)CCl PI-41237 [0,0,1,0,0,0|3,0,0]=4 176 B5R0.3 OCC(=C)CO PI-24347 [0,0,1,0,0,0|2,1,0]=4 177 B7R2.13 C1CC2C(C1)O2 PI-35919 [0,0,0,1,0,0|1,0,2]=4 178 B7R2.13 O1CC2C(C1)O2 PI-22024 [0,0,0,1,0,0|0,1,2]=4 179 B5R1.2 BrC1CCC1 PI-37245 [0,0,0,0,1,0|1,0,1]=3 180 B5R1.2 C1C(=O)CN1 PI-48919 [0,0,0,0,1,0|1,0,0]=2 181 B5R1.2 FC1CNC1 PI-36097 [0,0,0,0,1,0|2,0,1]=4 182 B5R1.2 NC1CCC1 PI-15786 [0,0,0,0,1,0|1,0,1]=3 183 B5R1.2 NC1COC1 PI-41949 [0,0,0,0,1,0|1,1,1]=4 184 B5R1.2 O=C1CCC1 PI-36783 [0,0,0,0,1,0|0,0,0]=1 185 B5R1.2 O=C1COC1 PI-38969 [0,0,0,0,1,0|0,1,0]=2 186 B5R1.2 OC1CNC1 PI-20728 [0,0,0,0,1,0|1,0,2]=4 187 B5R1.2 OC1COC1 PI-38454 [0,0,0,0,1,0|0,1,2]=4 188 B7R1.3 BrC1CCCOC1 PI-35181 [0,0,0,0,0,1|1,1,1]=4 189 B7R1.3 BrC1CCOCC1 PI-35207 [0,0,0,0,0,1|1,1,1]=4 190 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,0,0,0,1|0,1,0]=2 191 B7R1.3 C1CC(CNC1)Br PI-13262 [0,0,0,0,0,1|2,0,1]=4 192 B7R1.3 C1CC(CNC1)F PI-48937 [0,0,0,0,0,1|2,0,1]=4 193 B7R1.3 C1CC(CNC1)N PI-11065 [0,0,0,0,0,1|2,0,1]=4 194 B7R1.3 C1CC(CNC1)N PI-27492 [0,0,0,0,0,1|2,0,1]=4 195 B7R1.3 C1CC(CNC1)O PI-10129 [0,0,0,0,0,1|1,0,2]=4 196 B7R1.3 C1CC(CNC1)O PI-11069 [0,0,0,0,0,1|1,0,2]=4 197 B7R1.3 C1CC(CNC1)O PI-31252 [0,0,0,0,0,1|1,0,2]=4 198 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,0,0,1|2,0,0]=3 199 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,0,0,1|3,0,0]=4 200 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,0,0,1|3,0,0]=4 201 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,0,0,1|1,0,0]=2 202 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,0,0,1|2,0,1]=4 203 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,0,0,1|2,0,1]=4 204 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,0,0,1|1,0,2]=4 205 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,0,0,1|1,0,0]=2 206 B7R1.3 C1CNCCC1Br PI-34736 [0,0,0,0,0,1|2,0,1]=4 207 B7R1.3 C1CNCCC1Cl PI-13260 [0,0,0,0,0,1|2,0,1]=4 208 B7R1.3 C1CNCCC1F PI-48939 [0,0,0,0,0,1|2,0,1]=4 209 B7R1.3 C1CNCCC1N PI-12453 [0,0,0,0,0,1|2,0,1]=4 210 B7R1.3 C1CNCCC1N PI-43332 [0,0,0,0,0,1|2,0,1]=4 211 B7R1.3 C1CNCCC1O PI-43307 [0,0,0,0,0,1|1,0,2]=4 212 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,0,0,1|1,0,1]=3 213 B7R1.3 C1COC(CN1)O PI-41771 [0,0,0,0,0,1|1,0,2]=4 214 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,0,0,1|0,1,0]=2 215 B7R1.3 C1COCCC1Cl PI-45093 [0,0,0,0,0,1|1,1,1]=4 216 B7R1.3 C1COCCC1I PI-45407 [0,0,0,0,0,1|1,1,1]=4 217 B7R1.3 C1COCCN1N PI-33201 [0,0,0,0,0,1|2,1,0]=4 218 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [0,0,0,0,0,1|2,0,1]=4 219 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,0,0,1|2,0,0]=3 220 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,0,0,1|1,1,0]=3 221 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,0,0,1|2,0,0]=3 222 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,0,0,1|1,1,0]=3 223 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,0,0,1|1,1,1]=4 224 B7R1.3 CC1CNCCN1 PI-31297 [0,0,0,0,0,1|2,0,1]=4 225 B7R1.3 CC1CNCCN1 PI-33175 [0,0,0,0,0,1|2,0,1]=4 226 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,0,0,1|2,0,1]=4 227 B7R1.3 CN1CCNCC1 PI-50345 [0,0,0,0,0,1|3,0,0]=4 228 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [0,0,0,0,0,1|2,0,1]=4 229 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,0,0,1|2,0,1]=4 230 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,0,0,1|2,0,1]=4 231 B7R1.3 C[C@H]1COCCN1 PI-38135 [0,0,0,0,0,1|1,1,1]=4 232 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,0,0,1|2,0,1]=4 233 B7R1.3 NC1CCCNC1 PI-13253 [0,0,0,0,0,1|2,0,1]=4 234 B7R1.3 NC1CCOCC1 PI-14135 [0,0,0,0,0,1|1,1,1]=4 235 B7R1.3 NC1CCOCC1 PI-39008 [0,0,0,0,0,1|1,1,1]=4 236 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [0,0,0,0,0,1|2,0,1]=4 237 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [0,0,0,0,0,1|2,0,1]=4 238 B7R1.3 O1CCCC(C1)O PI-42688 [0,0,0,0,0,1|0,1,2]=4 239 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,0,0,1|1,0,0]=2 240 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,0,0,0,1|1,0,0]=2 241 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,0,0,1|1,0,0]=2 242 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,0,0,1|1,0,0]=2 243 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,0,0,1|0,1,0]=2 244 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,0,0,1|0,0,0]=1 245 B7R1.3 O=C1COCCN1 PI-38277 [0,0,0,0,0,1|0,1,0]=2 246 B7R1.3 O=C1COCCO1 PI-44056 [0,0,0,0,0,1|0,1,0]=2 247 B7R1.3 O=C1NCCNC1 PI-31800 [0,0,0,0,0,1|1,0,0]=2 248 B7R1.3 OC1CCNCC1 PI-31377 [0,0,0,0,0,1|1,0,2]=4 249 B7R1.3 OC1CCOCC1 PI-37145 [0,0,0,0,0,1|0,1,2]=4 250 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,0,0,0,0,1|1,0,2]=4 251 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,1,0,0,0|2,0,0]=4 252 B4R0.1 C(C(=O)N)I PI-47045 [1,0,1,0,0,0|2,0,0]=4 253 B4R0.1 C(C(=O)N)N PI-14271 [1,0,1,0,0,0|2,0,0]=4 254 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,1,0,0,0|1,1,0]=4 255 B4R0.1 CC(=C)CBr PI-46510 [1,0,1,0,0,0|2,0,0]=4 256 B4R0.1 CC(=O)C#C PI-15653 [1,0,1,0,0,0|0,0,2]=4 257 B4R0.1 CC(=O)CBr PI-38994 [1,0,1,0,0,0|1,0,0]=3 258 B4R0.1 CC(=O)NBr PI-47108 [1,0,1,0,0,0|2,0,0]=4 259 B4R0.1 CCC(=N)N PI-35437 [1,0,1,0,0,0|2,0,0]=4 260 B4R0.1 CCC(C)O PI-15619 [1,0,1,0,0,0|0,0,2]=4 261 B4R0.1 NC(=O)CBr PI-10963 [1,0,1,0,0,0|2,0,0]=4 262 B4R0.2 C(CN)CS PI-39174 [1,0,1,0,0,0|1,0,1]=4 263 B4R0.2 C(CS)CS PI-11004 [1,0,1,0,0,0|0,1,1]=4 264 B4R0.2 C=CCCBr PI-20589 [1,0,1,0,0,0|1,0,1]=4 265 B4R0.2 CC=CCO PI-41583 [1,0,1,0,0,0|0,1,1]=4 266 B4R0.2 CCCCCl PI-44613 [1,0,1,0,0,0|1,0,1]=4 267 B4R0.2 CCCNC PI-39187 [1,0,1,0,0,0|1,0,1]=4 268 B4R0.2 CCOC=C PI-12733 [1,0,1,0,0,0|0,1,1]=4 269 B4R0.2 CNCC=C PI-41121 [1,0,1,0,0,0|1,0,1]=4 270 B4R0.2 COCCBr PI-21426 [1,0,1,0,0,0|1,1,0]=4 271 B4R0.2 ClCCNC PI-41980 [1,0,1,0,0,0|2,0,0]=4 272 B4R0.2 OCCCS PI-39546 [1,0,1,0,0,0|0,0,2]=4 273 B6R0.1 C(C(=O)NCO)Cl PI-29429 [0,1,1,0,0,0|1,1,0]=4 274 B6R0.1 C(CS)C(=O)NN PI-50543 [0,1,1,0,0,0|1,0,0]=3 275 B6R0.1 CC#CC(=O)OC PI-48956 [0,1,1,0,0,0|1,0,1]=4 276 B6R0.1 CCCC(=O)NN PI-23070 [0,1,1,0,0,0|2,0,0]=4 277 B6R0.1 CCCC(=O)SC PI-48512 [0,1,1,0,0,0|1,0,0]=3 278 B6R0.1 CCOC(=O)CBr PI-15815 [0,1,1,0,0,0|2,0,0]=4 279 B6R0.1 CCOC(=O)NC PI-50343 [0,1,1,0,0,0|2,0,0]=4 280 B6R0.1 CNCC(=O)OC PI-45586 [0,1,1,0,0,0|1,0,0]=3 281 B6R0.1 COC(=O)CCN PI-31148 [0,1,1,0,0,0|1,0,0]=3 282 B6R0.1 COCC(=O)NN PI-50354 [0,1,1,0,0,0|1,1,0]=4 283 B6R0.1 O=C(OC)CCO PI-41038 [0,1,1,0,0,0|0,1,0]=3 284 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,1,1,0,0,0|1,0,1]=4 285 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,1,1,0,0,0|2,0,0]=4 286 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,1,1,0,0,0|2,0,0]=4 287 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,1,1,0,0,0|2,0,0]=4 288 B6R0.2 CC(CC(=O)O)N PI-35438 [0,1,1,0,0,0|2,0,0]=4 289 B6R0.2 CC(CC(=O)O)N PI-35481 [0,1,1,0,0,0|2,0,0]=4 290 B6R0.2 CC(CC(=O)O)N PI-43821 [0,1,1,0,0,0|2,0,0]=4 291 B6R0.2 CC(CC(=O)O)O PI-47070 [0,1,1,0,0,0|1,1,0]=4 292 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,1,1,0,0,0|2,0,0]=4 293 B6R0.2 CN(C)CC(=O)O PI-15416 [0,1,1,0,0,0|2,0,0]=4 294 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,1,1,0,0,0|2,0,0]=4 295 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,1,1,0,0,0|2,0,0]=4 296 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,1,1,0,0,0|1,0,1]=4 297 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,1,1,0,0,0|1,0,1]=4 298 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,1,1,0,0,0|2,0,0]=4 299 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,1,1,0,0,0|2,0,0]=4 300 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,1,1,0,0,0|2,0,0]=4 301 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,1,1,0,0,0|2,0,0]=4 302 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,1,1,0,0,0|2,0,0]=4 303 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,1,1,0,0,0|1,0,0]=3 304 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,1,1,0,0,0|2,0,0]=4 305 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,1,0,0,0|1,1,0]=4 306 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,1,0,0,0|2,0,0]=4 307 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,1,0,0,0|2,0,0]=4 308 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,1,0,0,0|1,0,0]=3 309 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,1,0,0,0|2,0,0]=4 310 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,1,0,0,0|2,0,0]=4 311 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,1,0,0,0|2,0,0]=4 314 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.3 NC(C(=O)O)CN PI-10165 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.3 NC(C(=O)O)CN PI-35820 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,1,0,0,0|1,1,0]=4 318 B6R0.3 NC(CS)C(=O)O PI-15748 [0,1,1,0,0,0|1,0,0]=3 319 B6R0.3 NCC(C(=O)O)O PI-38395 [0,1,1,0,0,0|2,0,0]=4 320 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,1,1,0,0,0|1,0,0]=3 321 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,1,1,0,0,0|1,0,0]=3 322 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,1,1,0,0,0|1,0,0]=3 323 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,1,0,0,0|2,0,0]=4 324 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,1,0,0,0|1,1,0]=4 325 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,1,0,0,0|2,0,0]=4 326 B6R0.4 C#CCCC(=O)O PI-30018 [0,1,1,0,0,0|2,0,0]=4 327 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,1,1,0,0,0|2,0,0]=4 328 B6R0.4 CC(NCCS)=O PI-37034 [0,1,1,0,0,0|0,0,0]=2 329 B6R0.4 CC=CCC(=O)O PI-47130 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.4 CCCNC(=O)N PI-19783 [0,1,1,0,0,0|2,0,0]=4 332 B6R0.4 CCNCC(=O)O PI-43211 [0,1,1,0,0,0|2,0,0]=4 333 B6R0.4 CSCCC(=O)O PI-31992 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.4 ClCCCC(=O)C PI-39487 [0,1,1,0,0,0|1,0,0]=3 335 B6R0.4 NCCCC(=O)O PI-35917 [0,1,1,0,0,0|2,0,0]=4 336 B6R0.4 O=C(O)CCCBr PI-40017 [0,1,1,0,0,0|2,0,0]=4 337 B6R0.4 O=C(O)CCCCl PI-41227 [0,1,1,0,0,0|2,0,0]=4 338 B6R0.4 OCCCC(=O)C PI-13555 [0,1,1,0,0,0|0,1,0]=3 339 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,1,1,0,0,0|1,1,0]=4 340 B6R0.5 C(CS(=O)(=O)O)S PI-21828 [0,1,1,0,0,0|2,0,0]=4 341 B6R0.5 C(CS(=O)(=O)[O-])S PI-18298 [0,1,1,0,0,0|2,0,0]=4 342 B6R0.5 CC(C)(CSC)N PI-50645 [0,1,1,0,0,0|1,0,1]=4 343 B6R0.5 CS(=O)(=O)CCBr PI-44875 [0,1,1,0,0,0|2,0,0]=4 344 B6R0.5 NCC[S](=O)(=O)C PI-41234 [0,1,1,0,0,0|2,0,0]=4 345 B6R0.6 BrCCCCC=C PI-39147 [0,1,1,0,0,0|2,0,0]=4 346 B6R0.6 CCCSCCC PI-48482 [0,1,1,0,0,0|1,0,1]=4 347 B6R0.6 CCC\C=C\C=O PI-40157 [0,1,1,0,0,0|1,0,1]=4 348 B6R0.6 ClCCCCC=O PI-34745 [0,1,1,0,0,0|1,0,0]=3 349 B6R0.8 CCS(=O)(=O)CC PI-30756 [0,1,1,0,0,0|2,0,0]=4 350 B6R0.9 CCN(CC)N=O PI-47046 [0,1,1,0,0,0|2,0,0]=4 351 B6R1.5 C1C(CC1=O)N PI-48953 [0,1,0,0,1,0|0,0,0]=2 352 B6R1.5 OC1CN(C1)C PI-37502 [0,1,0,0,1,0|2,0,0]=4 353 B6R1.6 BrCC1CCC1 PI-28204 [0,1,0,0,1,0|1,0,1]=4 354 B6R1.6 C1C(CO1)C=O PI-48343 [0,1,0,0,1,0|0,1,1]=4 355 B6R1.6 C1CC(C1)CO PI-28530 [0,1,0,0,1,0|0,0,2]=4 356 B6R1.6 NCC1CCC1 PI-42247 [0,1,0,0,1,0|1,0,1]=4 357 B6R1.6 O=CC1CCC1 PI-36863 [0,1,0,0,1,0|0,0,1]=3 358 B6R1.10 C[Si]1(CCC1)Cl PI-45038 [0,1,0,0,1,0|1,1,0]=4 359 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [0,1,0,0,0,1|1,0,1]=4 360 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,0,0,1|2,0,0]=4 361 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,0,0,1|0,1,1]=4 363 B8R1.2 C1CN(CCN1)C=O PI-16401 [0,1,0,0,0,1|2,0,0]=4 364 B8R1.2 C1CNCCC1C=O PI-13255 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.2 C1CSC(CS1)C#N PI-25253 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,0,0,1|1,0,1]=4 367 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,1,0,0,0,1|2,0,0]=4 368 B8R1.3 C1C(SCC(S1)O)O PI-15243 [0,1,0,0,0,1|0,0,2]=4 369 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,0,0,1|1,0,0]=3 370 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,1,0,0,0,1|1,0,0]=3 371 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,1,0,0,0,1|1,0,0]=3 372 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,1,0,0,0,1|0,0,1]=3 373 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,0,0,1|1,0,1]=4 374 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,0,0,1|1,0,1]=4 375 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,0,0,1|1,0,0]=3 376 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,0,0,1|1,0,0]=3 377 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,0,0,1|1,0,0]=3 378 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,0,0,1|1,0,0]=3 379 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,0,0,1|0,1,0]=3 380 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,1,0,0,0,1|0,1,1]=4 381 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,0,0,1|1,0,0]=3 382 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,0,0,1|1,0,0]=3 383 B8R1.5 C1C(C(CSS1)O)O PI-25145 [0,1,0,0,0,1|0,0,2]=4 384 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,0,0,1|1,0,0]=3 385 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,0,0,1|1,0,0]=3 386 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,0,0,1|1,0,0]=3 387 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,0,0,1|1,0,0]=3 388 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,0,0,1|0,1,0]=3 389 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,0,0,1|1,0,0]=3 390 B8R1.72 C1CS(=O)(=O)CCN1 PI-17981 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.72 O=S1(=O)CCNCC1 PI-17980 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,2,0,0,0,0|2,0,0]=4 394 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,2,0,0,0,0|2,0,0]=4 395 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,2,0,0,0,0|2,0,0]=4 396 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,2,0,0,0,0|2,0,0]=4 397 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [0,2,0,0,0,0|1,0,1]=4 398 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,2,0,0,0,0|1,0,1]=4 399 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,2,0,0,0,0|1,0,1]=4 400 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,2,0,0,0,0|0,1,1]=4 401 B8R1.7 C1COCC1C(=O)O PI-42680 [0,2,0,0,0,0|0,1,1]=4 402 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,2,0,0,0,0|1,0,1]=4 403 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,2,0,0,0,0|0,1,1]=4 404 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,2,0,0,0,0|1,0,1]=4 405 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,2,0,0,0,0|1,0,1]=4 406 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,2,0,0,0,0|1,0,1]=4 407 B8R1.8 O=C=NC1CCCC1 PI-26670 [0,2,0,0,0,0|1,0,1]=4 408 B8R1.11 C1C(C(=O)CS1)C#N PI-29183 [0,2,0,0,0,0|0,0,0]=2 409 B8R1.11 C1CC(C(=N)C1)C#N PI-48395 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [0,2,0,0,0,0|1,0,0]=3 411 B8R1.11 CCN1CCCC1=O PI-12779 [0,2,0,0,0,0|2,0,0]=4 412 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,2,0,0,0,0|2,0,0]=4 413 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,2,0,0,0,0|2,0,0]=4 414 B8R1.50 C1C(=O)C(C(=O)O1)Cl PI-27633 [0,2,0,0,0,0|0,1,1]=4 415 B8R1.50 C1C(=O)N(C(=S)S1)N PI-30145 [0,2,0,0,0,0|1,0,1]=4 416 B8R1.50 C1CC(=O)N(C1=O)Br PI-44937 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,2,0,0,0,0|1,0,1]=4 418 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,2,0,0,0,0|1,0,0]=3 419 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.50 O=C1CCC(=O)N1I PI-16522 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,2,0,0,0,0|2,0,0]=4 422 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,0,1,1,0,0|2,0,0]=4 423 B6R1.11 C1CC1C(=O)N PI-30796 [0,0,1,1,0,0|2,0,0]=4 424 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,1,1,0,0|1,0,0]=3 425 B6R1.1 C1CCSCS1 PI-25616 [0,0,1,1,0,0|0,1,1]=4 426 B6R1.1 C1CNCCS1 PI-15689 [0,0,1,1,0,0|1,0,1]=4 427 B6R1.1 C1COCC=C1 PI-40555 [0,0,1,1,0,0|1,1,0]=4 428 B6R1.1 C1CSCCO1 PI-40740 [0,0,1,1,0,0|0,0,2]=4 429 B6R1.1 C1CSCCS1 PI-25617 [0,0,1,1,0,0|0,1,1]=4 430 B6R1.7 SCC1(C)CC1 PI-37767 [0,0,1,1,0,0|1,0,1]=4 431 B4R1.1 C1CNC1 PI-35164 [1,0,0,0,1,0|1,0,0]=3 432 B4R1.1 C1CNC1 PI-39009 [1,0,0,0,1,0|1,0,0]=3 433 B4R1.2 C1CC1Br PI-20927 [0,0,0,0,2,0|1,0,1]=4 434 B4R1.2 NC1CC1 PI-10868 [0,0,0,0,2,0|1,0,1]=4 435 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,0,0,0,0,2|1,0,0]=3 436 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,0,0,0,0,2|1,0,0]=3 437 B8R1.22 C1CNCCNC1=O PI-35483 [0,0,0,0,0,2|1,0,0]=3 438 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,0,0,2|2,0,0]=4 439 B8R1.22 O=C1CNCCCN1 PI-34767 [0,0,0,0,0,2|1,0,0]=3