0 B6R0.1 CCCC(=O)NN PI-23070 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(=O)SC PI-48512 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(C=C)O PI-15324 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCOC(=O)C#C PI-35147 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCOC(=O)CBr PI-15815 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCOC(=O)NC PI-50343 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 C\C(=N/O)\OCC PI-38013 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 NNC(OCC)=O PI-28515 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|0,0,1]=2 15 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|0,0,3]=4 18 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|0,0,3]=4 19 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CCOC(=S)[S-] PI-47063 [1,0,0,0,0,0|2,1,0]=4 21 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 C(C=CCCl)Cl PI-40200 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 CCO\C=C\C PI-12734 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 CSCCC=O PI-45744 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 OC\C=C\CO PI-40910 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 C(C(C=O)O)O PI-14881 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 CCC(=C)C=O PI-44654 [1,0,0,0,0,0|0,0,1]=2 43 B5R0.3 CCC(=O)CBr PI-20588 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 CCC(=O)NN PI-50290 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,1,0,0,0,0|1,0,2]=4 49 B7R0.5 CCOC(=O)C(=C)Br PI-35460 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,1,0,0,0,0|2,1,0]=4 51 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,1,0,0,0,0|2,0,1]=4 52 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.1 C1=C(N=CS1)C=O PI-25454 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.1 C1=C(N=NS1)C=O PI-29425 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.1 C1=C(NC=N1)C=O PI-34783 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.1 C1=CNC=C1C=O PI-34088 [0,0,0,1,0,0|1,0,2]=4 57 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,0,0,1,0,0|1,0,2]=4 58 B7R1.1 C1CCN(C1)N=O PI-47048 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.1 O=CC1=CCCC1 PI-39104 [0,0,0,1,0,0|0,0,0]=1 60 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,0,0,1,0,0|1,0,2]=4 62 B7R1.1 O=Cc1cnco1 PI-38922 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 O=Cc1cncs1 PI-25019 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 O=Cc1cscc1 PI-10763 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,0,0,1,0,0|1,1,1]=4 66 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,0,0,1,0,0|1,1,1]=4 71 B7R1.2 CN1C=C(C=N1)Br PI-34811 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.2 CN1C=C(C=N1)Cl PI-34753 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 CN1C=C(C=N1)I PI-31346 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,0,0,1,0,0|1,0,1]=3 75 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.2 Cc1ccn(n1)C PI-37587 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.2 Cc1scc(c1)C PI-29816 [0,0,0,1,0,0|0,1,1]=3 79 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|1,0,1]=3 83 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,0,0,1,0,0|2,0,1]=4 86 B7R1.4 BrC1=C(Br)CCC1 PI-24605 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.4 Brc1cscc1C PI-39112 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.4 C=C1CCOC1=O PI-13231 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.4 CC1=CCOC1=O PI-46986 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.4 CC1=CNN=C1C PI-41141 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.4 CC1=CSC=C1C PI-35053 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,0,0,1,0,0|1,0,1]=3 94 B7R1.4 Cc1ccsc1Br PI-10990 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.4 O=C1NCCC1C PI-27005 [0,0,0,1,0,0|1,0,2]=4 96 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|2,0,0]=4 98 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 C=C(CBr)Br PI-10979 [2,0,0,0,0,0|2,0,0]=4 101 B4R0.1 CC(=C)CBr PI-46510 [2,0,0,0,0,0|1,0,0]=3 102 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.1 CC(=O)C#C PI-15653 [2,0,0,0,0,0|0,0,2]=4 104 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,0]=3 105 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 107 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|0,0,2]=4 108 B4R0.1 ClCC(Cl)=C PI-15434 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.2 C(=O)[N-]C=O PI-42986 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.2 C=CCCBr PI-20589 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.2 CCOC=C PI-12733 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.2 CNCC=C PI-41121 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.2 CC(=CC(=O)C)O PI-39500 [1,1,0,0,0,0|0,0,1]=3 117 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.2 CC(=CC(=O)O)C PI-42632 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.2 CC(=O)O[Si](C)C PI-23366 [1,1,0,0,0,0|1,1,0]=4 120 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [1,1,0,0,0,0|0,0,1]=3 131 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.3 CCC(=O)C(C)Br PI-47067 [1,1,0,0,0,0|1,0,1]=4 133 B6R0.3 CCC(=O)C(C)C PI-39171 [1,1,0,0,0,0|0,0,2]=4 134 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|0,0,1]=3 135 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|1,0,1]=4 136 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.3 COC(=O)C(=C)F PI-39526 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|1,0,0]=3 145 B6R0.4 BrC\C=C\C(=O)O PI-36796 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.4 CCCCC(=O)[O-] PI-46856 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.4 CCCNC(=O)N PI-19783 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.4 CCNCC(=O)O PI-43211 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.4 CSCCC(=O)O PI-31992 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|0,0,1]=3 153 B6R0.4 NCCCC(=O)O PI-35917 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 O=C(O)CCCBr PI-40017 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 O=C(O)CCCCl PI-41227 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|0,0,1]=3 157 B6R0.6 CC=CC=CCO PI-24146 [1,1,0,0,0,0|0,0,2]=4 158 B6R0.6 CCC\C=C\C=O PI-40157 [1,1,0,0,0,0|0,0,0]=2 159 B6R0.6 CCOC=CC#N PI-37795 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.6 ClCCCCC=O PI-34745 [1,1,0,0,0,0|0,0,2]=4 161 B6R0.9 CCN(CC)N=O PI-47046 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|1,0,1]=4 163 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.5 CCOC(=O)NC(=O)N PI-47058 [0,2,0,0,0,0|2,0,0]=4 167 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,2,0,0,0,0|1,0,1]=4 169 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,2,0,0,0,0|1,0,1]=4 171 B8R0.1 CCOC(=O)C=CC=O PI-40874 [0,2,0,0,0,0|2,0,0]=4 172 B8R0.1 CCOC(=O)CNC=O PI-33233 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.3 CCOC(=O)C(=O)NN PI-50272 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.3 CCOC(=O)C(C=O)Cl PI-40054 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,2,0,0,0,0|0,0,0]=2 178 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,2,0,0,0,0|0,0,2]=4 179 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,2,0,0,0,0|0,0,2]=4 180 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|0,0,2]=4 181 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|1,0,1]=4 183 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,1,0,0|1,0,1]=4 184 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,1,0,0|1,0,1]=4 185 B6R1.2 Cc1c[nH]nc1 PI-34810 [1,0,0,1,0,0|2,0,0]=4 186 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,0,1]=4 187 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,1,0,0|2,0,0]=4 188 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|1,0,1]=4 190 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|0,0,1]=3 192 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|0,0,2]=4 193 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|0,0,2]=4 194 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [0,1,0,1,0,0|1,0,1]=4 195 B8R1.1 CC1=CC=C(O1)CN PI-43985 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [0,1,0,1,0,0|0,0,2]=4 197 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.1 CCC1=NC(=CS1)C PI-11124 [0,1,0,1,0,0|0,1,0]=3 199 B8R1.1 CCC1=NC=C(N1)C PI-31806 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.1 CCN1C=C(C=N1)Br PI-34759 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.1 CCN1C=C[N+](=C1)C PI-39016 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.1 CCN1C=C[N+](=C1)C PI-42608 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.1 CCN1C=C[N+](=C1)C PI-44202 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.1 CCN1C=C[N+](=C1)C PI-44223 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.1 CCN1C=C[N+](=C1)C PI-45697 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.1 CCn1cc[n+](c1)C PI-37214 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.1 Cn1cc(nc1)C=O PI-39321 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.1 NCc1cnn(c1)C PI-35803 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.1 O=Cc1cnn(c1)C PI-33835 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,1,0,1,0,0|2,0,0]=4 216 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|0,0,2]=4 218 B8R1.4 Cc1cc[nH]c(=O)n1 PI-21340 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|0,0,2]=4 221 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [0,1,0,1,0,0|0,1,1]=4 224 B8R1.18 CC1=CC(=O)N(N1)C PI-33909 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.18 CC1=NN(C(=O)C1)C PI-11679 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.18 CC1CC(=O)N(C)N1 PI-32451 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.18 O=C1NC(C(=O)O1)C PI-37628 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.18 O=C1NC(C)C(=O)N1 PI-25739 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [0,1,0,1,0,0|0,0,2]=4 231 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,1,0,0|0,0,2]=4 233 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,1,0,0|0,0,0]=2 234 B8R1.2 C1CN(CCN1)C=O PI-16401 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.2 C1CNCCC1C=O PI-13255 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|0,0,2]=4 237 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.5 CC1=NC=CNC1=O PI-40998 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|0,0,2]=4 241 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.5 O=c1[nH]cccc1C PI-16687 [0,1,0,1,0,0|0,0,2]=4 243 B8R1.50 C1CC(=O)N(C1=O)Br PI-44937 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.50 CC1=C(C(=O)CO1)O PI-14302 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|0,0,1]=3 248 B8R1.50 CN1CCN(C1=O)C PI-11680 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.50 O=C1CCC(=O)N1I PI-16522 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,1,0,1,0,0|1,0,1]=4 252 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,1,0,1,0,0|0,0,0]=2 255 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,1,0,1,0,0|0,0,2]=4 258 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,1,0,1,0,0|0,0,2]=4 263 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.11 CC1=C(C=CO1)SC PI-14230 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.11 CC1=C(CO)NC=N1 PI-11991 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.11 CC1=C(N=CN1)CO PI-32341 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.11 CCN1CCCC1=O PI-12779 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.11 CN1C=CC=C1C=O PI-33707 [0,1,0,1,0,0|0,0,2]=4 271 B8R1.11 CN1C=NC=C1C=O PI-25534 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.11 CN1N=CC=C1CC PI-39594 [0,1,0,1,0,0|2,0,0]=4