0 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,0,0|1,1,0]=2 4 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.2 CC(C)NC(C)C PI-41089 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CC(C)NC(C)C PI-45766 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,0,0,0,0|2,1,1]=4 9 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 CN(C)CC(=S)N PI-12763 [0,0,0,0,0,0|2,1,1]=4 17 B6R0.2 CN(CN(C)C)C PI-39543 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.2 C[SiH](N[SiH](C)C)C PI-45054 [0,0,0,0,0,0|2,2,0]=4 22 B6R0.2 C[Si](C)O[Si](C)C PI-46056 [0,0,0,0,0,0|2,2,0]=4 23 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.1 BrCC=C(C)C PI-12725 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|0,0,0]=1 28 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 CCO[Si](C)C PI-50089 [1,0,0,0,0,0|1,1,1]=4 31 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 O=C=NC(C)C PI-11403 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 CC(=O)OC(=C)C#N PI-26544 [0,1,0,0,0,0|1,0,2]=4 42 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 CN(C)CC(=O)NN PI-50370 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,0|1,0,1]=3 54 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.9 CC(=C)O[Si](C)(C)C PI-38837 [0,1,0,0,0,0|2,1,0]=4 56 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.9 CC(=O)N[Si](C)(C)C PI-35306 [0,1,0,0,0,0|1,1,0]=3 58 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.9 CC(=O)O[Si](C)(C)C PI-35315 [0,1,0,0,0,0|1,1,0]=3 60 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,1,0,0,0,0|1,1,1]=4 65 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.9 [O-]C(=O)C[N+](C)(C)C PI-12795 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.16 C(=O)(C(=O)[O-])C(=O)[O-] PI-18865 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,0,0|1,0,2]=4 72 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.16 CN(C)C(=S)N(C)C PI-15785 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.16 CN(C)C(=[N+](C)C)Cl PI-43907 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.16 CN(C)C(=[N+](C)C)F PI-43542 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,0,0|1,0,2]=4 79 B7R1.2 C1=C(NNC1=O)N PI-30770 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,0,0,1,0,0|3,0,0]=4 82 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,0,0,1,0,0|3,0,0]=4 83 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,0,0,1,0,0|1,1,1]=4 85 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,0,0,1,0,0|1,1,1]=4 92 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|1,0,1]=3 95 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,0,0,1,0,0|1,0,1]=3 100 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.2 Cc1noc(c1)N PI-30153 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.2 Cc1nsc(N)c1 PI-25640 [0,0,0,1,0,0|2,1,0]=4 104 B7R1.2 Cc1scc(c1)C PI-29816 [0,0,0,1,0,0|0,1,1]=3 105 B7R1.2 Nc1noc(c1)C PI-33190 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.2 O=C1CSC(=N1)N PI-25673 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,0,1,0,0|1,0,2]=4 109 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,1,0|0,0,1]=2 110 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,1,0|2,0,0]=3 112 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,1,0|2,0,0]=3 113 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,1,0|1,0,1]=3 115 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,1,0|1,0,1]=3 116 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,1,0|2,0,1]=4 117 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,1,0|2,0,1]=4 118 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,1,0|2,0,1]=4 119 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,1,0|1,0,1]=3 120 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,1,0|2,0,1]=4 121 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,1,0|2,0,1]=4 122 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,1,0|2,0,1]=4 123 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,1,0|2,0,1]=4 124 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,1,0|2,0,1]=4 125 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,1,0|2,0,1]=4 126 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,1,0|2,0,0]=3 127 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,1,0|2,0,1]=4 128 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,1,0|2,0,1]=4 129 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,0,0,0,1,0|3,0,0]=4 130 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,1,0|2,0,1]=4 131 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,1,0|2,0,0]=3 132 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,0,0,0,0,1|0,0,2]=3 133 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,0,0,0,0,1|2,0,0]=3 134 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,1|1,0,1]=3 135 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,1|1,0,1]=3 136 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,1|2,0,1]=4 137 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,0,0,0,0,1|2,0,0]=3 138 B7R0.6 CC(=O)NNC(=S)N PI-30346 [0,0,0,0,0,1|3,0,0]=4 139 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,1|2,0,1]=4 140 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,1|2,0,1]=4 141 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,0,0,0,0,1|1,0,2]=4 142 B7R0.6 CN(C)C=C[N+](=O)[O-] PI-21936 [0,0,0,0,0,1|3,0,0]=4 143 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,0,0,0,0,1|2,0,1]=4 144 B4R0.1 CC(=CBr)C PI-46509 [2,0,0,0,0,0|1,0,0]=3 145 B4R0.1 CC(=O)C#C PI-15653 [2,0,0,0,0,0|0,0,2]=4 146 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 CC(=O)NBr PI-47108 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 CC(C)NC PI-41120 [2,0,0,0,0,0|1,0,1]=4 149 B4R0.1 CNN(C)C PI-40655 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.2 C(=O)[N-]C=O PI-42986 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|0,0,2]=4 152 B6R0.1 CC#CC(=O)OC PI-48956 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.1 CC(CC=O)SC PI-48524 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.1 CCCC(=O)SC PI-48512 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.1 CCOC(=O)CBr PI-15815 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.1 CCOC(=O)NC PI-50343 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.1 CNCC(=O)OC PI-45586 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.3 CCC(=O)C(C)C PI-39171 [1,1,0,0,0,0|0,0,2]=4 160 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|0,0,2]=4 161 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.4 BrC\C=C\C(=O)O PI-36796 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.4 CC(NCCS)=O PI-37034 [1,1,0,0,0,0|1,0,1]=4 165 B6R0.4 CC=CCC(=O)O PI-47130 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.4 CC=NNC(=O)N PI-26775 [1,1,0,0,0,0|2,0,0]=4 167 B6R0.4 ClCCCC(=O)C PI-39487 [1,1,0,0,0,0|0,0,2]=4 168 B6R0.4 O=C\C=C/N(C)C PI-12739 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.4 OCCCC(=O)C PI-13555 [1,1,0,0,0,0|0,0,2]=4 170 B6R0.5 Br\C=C\[Si](C)(C)C PI-36765 [1,1,0,0,0,0|1,1,0]=4 171 B6R0.5 C[Si](C)(C)C=CI PI-44154 [1,1,0,0,0,0|1,1,0]=4 172 B6R0.5 O=CCC(C)(C)C PI-36862 [1,1,0,0,0,0|0,0,2]=4 173 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,1,0,0,1,0|1,0,1]=4 174 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,1,0,0,1,0|1,0,1]=4 175 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,1,0,0,1,0|1,0,1]=4 176 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,1,0,0,1,0|1,0,1]=4 177 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,1,0,0,1,0|1,0,1]=4 178 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,1,0,0,1,0|1,0,1]=4 179 B6R0.7 CN(C)S(=O)(=O)C PI-29972 [0,1,0,0,1,0|2,0,0]=4 180 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,1,0,0,1,0|1,0,1]=4 181 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,1,0,0,1,0|1,0,1]=4 182 B8R0.23 CC(=O)CC(=O)N(C)C PI-40778 [0,1,0,0,0,1|1,0,0]=3 183 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,1,0,0,0,1|2,0,0]=4 184 B8R0.23 CC(C(=O)C)OC(=O)C PI-26680 [0,1,0,0,0,1|1,0,1]=4 185 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,1,0,0,0,1|1,0,1]=4 186 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,1,0,0,0,1|1,0,1]=4 187 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,1,0,0,0,1|1,0,1]=4 188 B8R0.29 CC(=O)C#C[Si](C)(C)C PI-35337 [0,1,0,0,0,1|0,1,1]=4 189 B8R0.29 CC(=O)ONC(C)(C)C PI-47090 [0,1,0,0,0,1|1,0,1]=4 190 B8R0.2 CC(C(C(OC)=O)N)C PI-42147 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.2 CC(C)C(C(=O)OC)N PI-50332 [0,2,0,0,0,0|0,0,2]=4 192 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.2 COC(=O)C(=O)C(Br)C PI-39184 [0,2,0,0,0,0|1,0,1]=4 194 B8R0.2 COC(=O)[C@@H](N)C(C)C PI-31250 [0,2,0,0,0,0|0,0,2]=4 195 B8R0.5 CC(C)OC(=O)CC#N PI-32783 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.5 CCOC(=O)C=C(C)N PI-42740 [0,2,0,0,0,0|1,0,0]=3 197 B8R0.5 CCOC(=O)CN(C)C PI-15686 [0,2,0,0,0,0|1,0,1]=4 198 B8R0.5 CCOC(=O)\C=C(\C)/N PI-11270 [0,2,0,0,0,0|1,0,0]=3 199 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,2,0,0,0,0|1,0,1]=4 200 B8R0.16 CNC(=C[N+](=O)[O-])OC PI-12641 [0,2,0,0,0,0|2,0,0]=4 201 B8R0.16 CNC(=C[N+](=O)[O-])SC PI-45886 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.16 CS/C(SC)=C\[N+]([O-])=O PI-12782 [0,2,0,0,0,0|2,0,0]=4 203 B8R0.19 CC(=CC(=O)OC)NC PI-30121 [0,2,0,0,0,0|0,0,0]=2 204 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,2,0,0,0,0|1,0,1]=4 205 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,2,0,0,0,0|1,0,1]=4 206 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,2,0,0,0,0|1,0,1]=4 207 B8R0.24 CC(C)(C)OC(=O)CN PI-31136 [0,2,0,0,0,0|1,0,1]=4 208 B8R0.24 CC(C)(C)OC(=O)CS PI-48134 [0,2,0,0,0,0|1,0,1]=4 209 B8R0.24 CCC(=O)OC(C)(C)C PI-47052 [0,2,0,0,0,0|1,0,1]=4 210 B8R0.24 NCC(=O)OC(C)(C)C PI-37610 [0,2,0,0,0,0|1,0,1]=4 211 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [0,2,0,0,0,0|0,0,2]=4 212 B8R0.18 CCC(C(=O)C)C(=O)C PI-40751 [0,2,0,0,0,0|1,0,1]=4 213 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|1,0,1]=4 214 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,1,0,0|1,0,0]=3 215 B6R1.2 CC1=CC=CS1 PI-11146 [1,0,0,1,0,0|0,1,1]=4 216 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,1,0,0|0,0,2]=4 217 B6R1.2 Cc1cc[nH]n1 PI-31344 [1,0,0,1,0,0|2,0,0]=4 218 B6R1.2 O=C1CC=CC1 PI-38266 [1,0,0,1,0,0|0,0,2]=4 219 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|1,0,1]=4 220 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|0,0,2]=4 221 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [0,0,0,1,0,1|1,0,1]=4 222 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [0,0,0,1,0,1|0,0,2]=4 223 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [0,0,0,1,0,1|2,0,0]=4 224 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,0,0,1,0,1|0,0,2]=4 225 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,0,0,1,0,1|1,0,1]=4 226 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,0,0,1,0,1|1,0,1]=4 227 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.1 CC1=CC(=NO1)CCl PI-20163 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.1 COC1=CC(=O)NC1 PI-13575 [0,1,0,1,0,0|1,0,0]=3 231 B8R1.1 COC1=CC(=O)OC1 PI-27853 [0,1,0,1,0,0|1,0,0]=3 232 B8R1.1 Cc1cc(no1)CO PI-20812 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|1,0,1]=4 234 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|1,0,1]=4 235 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|1,0,1]=4 241 B8R1.4 O=C1C=C(Br)NCN1 PI-46712 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|1,0,1]=4 245 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|0,0,2]=4 246 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.18 CC1=C(OC(=O)O1)C PI-11457 [0,1,0,1,0,0|2,0,0]=4 249 B8R1.18 CC1=C(SC(=N1)C)C PI-11116 [0,1,0,1,0,0|1,1,0]=4 250 B8R1.18 CC1=CC(=C(O1)C)S PI-48469 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [0,1,0,1,0,0|0,1,0]=3 252 B8R1.18 CC1=CC(=O)N(N1)C PI-33909 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.18 CC1=CC(=O)OC1O PI-11645 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.18 CC1=NN(C(=C1)N)C PI-15881 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.18 CC1=NN(C(=O)C1)C PI-11679 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.18 CN1CC(=O)NC1=O PI-25740 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [0,1,0,1,0,0|1,0,0]=3 260 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.50 C1CC(=O)N(C1=O)Br PI-44937 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.50 CC1=C(C(=NN1)C)Br PI-21398 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.50 CC1=C(C(=NO1)C)Br PI-14418 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.50 CC1=C(C(=NO1)C)I PI-29046 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|0,0,0]=2 267 B8R1.50 CC1=C(C(=O)CO1)O PI-14302 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.50 CC1=C(COC1=O)O PI-45422 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.50 CC1C(CCC1=O)=O PI-12377 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.50 Cc1[nH]nc(c1I)C PI-29308 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.50 O=C1CCC(=O)N1I PI-16522 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.50 O=C1CCC(N1C)=O PI-37011 [0,1,0,1,0,0|2,0,0]=4 273 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,0,0,0,0,2|0,0,0]=2 274 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,0,0,0,0,2|1,0,1]=4 275 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,0,0,0,0,2|0,0,2]=4 276 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,0,0,0,0,2|2,0,0]=4