0 B5R0.5 C(C(=O)Cl)(F)F PI-48696 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 C(F)(F)S(=O)[O-] PI-48896 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.5 CC(=C)C(=O)C PI-41913 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.5 CC(C(=O)C)Br PI-35002 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(C(=O)C)S PI-48502 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.5 CC(C(=O)Cl)Cl PI-45764 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CC(C(=O)Cl)Cl PI-45765 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.5 CC(C(=O)Cl)Cl PI-49052 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.5 CC(C(=O)N)C PI-28643 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.5 CC(C(=O)O)Br PI-47030 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.5 CC(C(=O)O)F PI-40363 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.5 CC(C(C)S)O PI-13701 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.5 CC(C(C)S)O PI-48503 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.5 CC(C(C)S)S PI-48471 [0,0,0,0,0,0|2,1,1]=4 24 B5R0.5 CN(C)C(=O)N PI-50675 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,0,0,0,0,0|0,0,0]=0 26 B5R0.5 C[C@H](C(=N)N)O PI-48998 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.5 C[N+](=C(Cl)Cl)C PI-30496 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.5 NC(=S)C(=S)N PI-18908 [0,0,0,0,0,0|2,1,1]=4 31 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,0,0,0,0,0|0,0,0]=0 32 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,0,0|1,0,1]=2 33 B4R0.1 C#CC(=O)N PI-48352 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C(=O)(N)NO PI-15345 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C(C(=N)N)N PI-44870 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 C(C(=O)Cl)Br PI-46514 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 C(C(=O)N)I PI-47045 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 C(C(=O)N)N PI-14271 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 C(C(=O)[O-])Cl PI-44622 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 C(C(F)F)N PI-48941 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 C=C(CBr)Br PI-10979 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(=C)CBr PI-46510 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(=CBr)C PI-46509 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=O)C#C PI-15653 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CC(=O)CBr PI-38994 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(=O)NBr PI-47108 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(C#C)O PI-44141 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(C)CN PI-46903 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CC(C)NC PI-41120 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CC(CN)O PI-16659 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 CC(CO)O PI-16674 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CC(O)=NO PI-10772 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CC(O)C#C PI-43256 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCB(O)O PI-25578 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 CCC(=N)N PI-35437 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 CCC(C)O PI-15619 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 CN=C(N)N PI-12937 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 COC(=N)N PI-30686 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 C[C@@H](CO)N PI-12236 [1,0,0,0,0,0|0,0,1]=2 60 B4R0.1 C[C@@H](N)CO PI-16472 [1,0,0,0,0,0|0,0,1]=2 61 B4R0.1 C[C@@H](O)CN PI-12234 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 ClCC(Cl)=C PI-15434 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 NC(=N)CCl PI-30038 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.1 NC(=O)CBr PI-10963 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 NC[C@@H](N)C PI-39121 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 NNC(C)C PI-37110 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.1 OCC(F)F PI-21165 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 OC[C@H](O)C PI-16673 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.3 BrCC(=O)C(C)C PI-34836 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.3 C(=O)(C(=O)NN)N PI-44557 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 C(C(C(=O)O)N)N PI-31828 [0,1,0,0,0,0|0,0,0]=1 74 B6R0.3 C(C(C(=O)O)N)N PI-35715 [0,1,0,0,0,0|0,0,0]=1 75 B6R0.3 C(C(C(=O)O)N)N PI-35737 [0,1,0,0,0,0|0,0,0]=1 76 B6R0.3 C(C(C(=O)O)N)S PI-15750 [0,1,0,0,0,0|0,0,0]=1 77 B6R0.3 C(C(C(=O)O)O)N PI-12867 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.3 CC(C(=O)O)NC PI-27549 [0,1,0,0,0,0|0,0,0]=1 80 B6R0.3 CC(C(=O)O)NC PI-27557 [0,1,0,0,0,0|0,0,0]=1 81 B6R0.3 CC(C(=O)OC)Cl PI-13042 [0,1,0,0,0,0|1,0,0]=2 82 B6R0.3 CC(C(=O)OC)N PI-31127 [0,1,0,0,0,0|0,0,0]=1 83 B6R0.3 CC(CI)C(=C)I PI-44163 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.3 CC=C(C)C(=O)O PI-40492 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.3 CCC(=O)C(C)Br PI-47067 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 CCC(=O)C(C)C PI-39171 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 CCC(C(=O)C)S PI-48501 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.3 CCC(C(=O)N)N PI-10559 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 CCC(C(=O)O)N PI-28320 [0,1,0,0,0,0|0,0,0]=1 90 B6R0.3 CCC(C(=O)O)N PI-43844 [0,1,0,0,0,0|0,0,0]=1 91 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [0,1,0,0,0,0|0,0,0]=1 93 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.3 CN(C(=O)Cl)CC PI-38703 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.3 CN(C)C(=O)CBr PI-40959 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.3 CNC(=O)C(=O)O PI-19400 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.3 COC(=O)C(=C)F PI-39526 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 COC(=O)C(N)C PI-10065 [0,1,0,0,0,0|0,0,0]=1 99 B6R0.3 COC(=O)[C@@H](C)O PI-15307 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.3 COC(=O)[C@H](N)C PI-18185 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.3 NC(C(=O)O)CN PI-10165 [0,1,0,0,0,0|0,0,0]=1 102 B6R0.3 NC(C(=O)O)CN PI-35820 [0,1,0,0,0,0|0,0,0]=1 103 B6R0.3 NC(CO)C(O)=O PI-35846 [0,1,0,0,0,0|0,0,0]=1 104 B6R0.3 NC(CS)C(=O)O PI-15748 [0,1,0,0,0,0|0,0,0]=1 105 B6R0.3 NCC(=O)N(C)C PI-34626 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.3 NCC(C(=O)O)O PI-38395 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [0,1,0,0,0,0|0,0,0]=1 108 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [0,1,0,0,0,0|0,0,0]=1 109 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.3 O=C(O)C(C)CN PI-42145 [0,1,0,0,0,0|0,0,0]=1 111 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [0,1,0,0,0,0|0,0,0]=1 112 B6R0.3 OC[C@H](C(C)C)N PI-16477 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 OC[C@H](N)C(C)C PI-14330 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 OC[C@H]([C@H](O)C)N PI-35711 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [0,1,0,0,0,0|0,0,0]=1 116 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.3 [O-][N+](=O)C(CO)C PI-42624 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl PI-48701 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.7 C(=O)(C(F)(F)Br)N PI-28275 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.7 C(=O)(C(F)(F)Br)O PI-21613 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.7 C(=O)(C(F)(F)Cl)Cl PI-20027 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.7 C(=O)(C(F)(F)Cl)O PI-15294 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.7 C(=O)(C(F)(F)F)Cl PI-48694 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.7 C(=O)(C(F)(F)F)O PI-14590 [0,1,0,0,0,0|2,0,0]=3 125 B6R0.7 CC(=O)C(F)(F)F PI-40209 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.7 CC(C(F)(F)F)N PI-40169 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.7 CC(C(F)(F)F)N PI-40170 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.7 CC(C)(C(=O)Cl)Br PI-44610 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.7 CC(C)(C(=O)N)N PI-42207 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.7 CC(C)(C(=O)N)O PI-15708 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.7 CC(C)(C)C(=O)Cl PI-44939 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.7 CC(C)(C)C(=O)N PI-19885 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.7 CC(C)(N)C(O)=O PI-37329 [0,1,0,0,0,0|0,0,0]=1 134 B6R0.7 CC(S(=O)N)(C)C PI-38771 [0,1,0,0,0,0|3,0,0]=4 135 B6R0.7 CC([S@@](=O)N)(C)C PI-12385 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.7 C[C@@H](C(C)(C)C)O PI-49836 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.7 C[C@@H](C(F)(F)F)N PI-48928 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.7 OC(=O)C(C)(C)O PI-11239 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.7 OC(=O)C(F)(F)C PI-39351 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.7 [O-]C(=O)C(C)(C)C PI-38667 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.7 [O-]C(=O)C(F)(F)Cl PI-24194 [0,1,0,0,0,0|2,0,1]=4 142 B6R1.11 C1CC1C(=N)N PI-13557 [0,0,0,1,0,0|3,0,0]=4 143 B6R1.11 C1CC1C(=O)Cl PI-32773 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.11 C1CC1C(=O)N PI-30796 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.11 CC(=O)C1CC1 PI-12875 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.11 C[C@@H](C1CC1)N PI-48052 [0,0,0,1,0,0|2,0,1]=4 147 B6R1.11 OB(O)C1CC1 PI-25551 [0,0,0,1,0,0|2,0,1]=4 148 B6R0.2 CC(=CC(=O)C)O PI-39500 [0,0,0,0,0,1|2,0,1]=4 149 B6R0.2 CC(=CC(=O)Cl)C PI-13707 [0,0,0,0,0,1|2,0,1]=4 150 B6R0.2 CC(=CC(=O)O)C PI-42632 [0,0,0,0,0,1|1,0,1]=3 151 B6R0.2 CC(=O)O[Si](C)C PI-23366 [0,0,0,0,0,1|2,1,0]=4 152 B6R0.2 CC(Br)OC(=O)C PI-36668 [0,0,0,0,0,1|2,0,0]=3 153 B6R0.2 CC(C)CB(O)O PI-37377 [0,0,0,0,0,1|2,0,1]=4 154 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [0,0,0,0,0,1|1,0,1]=3 155 B6R0.2 CC(C)OC(=S)[S-] PI-47168 [0,0,0,0,0,1|1,2,0]=4 156 B6R0.2 CC(CC(=O)O)N PI-35438 [0,0,0,0,0,1|0,0,0]=1 157 B6R0.2 CC(CC(=O)O)N PI-35481 [0,0,0,0,0,1|0,0,0]=1 158 B6R0.2 CC(CC(=O)O)N PI-43821 [0,0,0,0,0,1|0,0,0]=1 159 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,0,0,0,1|1,0,0]=2 160 B6R0.2 CC(OC(=O)C)Cl PI-36669 [0,0,0,0,0,1|2,0,0]=3 161 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [0,0,0,0,0,1|2,0,0]=3 162 B6R0.2 CN(C)CC(=O)O PI-15416 [0,0,0,0,0,1|2,0,0]=3 163 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [0,0,0,0,0,1|0,0,0]=1 164 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [0,0,0,0,0,1|0,0,0]=1 165 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [0,0,0,0,0,1|2,0,1]=4 166 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,0,1|1,0,1]=3 167 B3R0.1 C(CS)N PI-39848 [2,0,0,0,0,0|0,1,1]=4 168 B3R0.1 C(F)CN PI-41615 [2,0,0,0,0,0|1,0,1]=4 169 B3R0.1 CCC=O PI-28552 [2,0,0,0,0,0|0,0,0]=2 170 B3R0.1 CCCN PI-46904 [2,0,0,0,0,0|1,0,1]=4 171 B3R0.1 CCCN PI-46913 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.1 CNCC PI-40147 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 C\C=N\O PI-37002 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.1 NCC#C PI-38458 [2,0,0,0,0,0|1,0,1]=4 175 B3R0.1 NCC#N PI-38793 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.1 NCCN PI-38127 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.1 NCCN PI-38389 [2,0,0,0,0,0|1,0,1]=4 178 B3R0.1 NNC=O PI-38803 [2,0,0,0,0,0|1,0,0]=3 179 B3R0.1 OCCBr PI-37291 [2,0,0,0,0,0|1,0,1]=4 180 B3R0.1 [CH2-]CCC PI-37346 [2,0,0,0,0,0|1,0,1]=4 181 B3R0.2 C(=N)(N)N PI-46905 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.2 CB(O)O PI-24088 [2,0,0,0,0,0|1,0,1]=4 183 B3R0.2 CC(=O)O PI-11632 [2,0,0,0,0,0|0,0,0]=2 184 B3R0.2 CC(=O)O PI-38547 [2,0,0,0,0,0|0,0,0]=2 185 B3R0.2 CC(=O)[O-] PI-20290 [2,0,0,0,0,0|0,0,1]=3 186 B3R0.2 CC(=S)N PI-16528 [2,0,0,0,0,0|0,1,1]=4 187 B3R0.2 CC(C)[O-] PI-47044 [2,0,0,0,0,0|1,0,1]=4 188 B3R0.2 CC([O-])=S PI-36444 [2,0,0,0,0,0|0,1,1]=4 189 B3R0.2 NC(=N)Cl PI-38973 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.2 NC(N)=N PI-47789 [2,0,0,0,0,0|2,0,0]=4 191 B3R0.2 NC(N)=N PI-47790 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.2 [O-]C(=O)C PI-37083 [2,0,0,0,0,0|0,0,1]=3 193 B3R0.2 [O-]C(=O)C PI-41421 [2,0,0,0,0,0|0,0,1]=3 194 B5R0.1 B(CCC)(O)O PI-35885 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,1,0,0,0,0|0,0,2]=4 196 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.1 CC#CC(=O)O PI-12861 [1,1,0,0,0,0|0,0,1]=3 199 B5R0.1 CC(=C)CCBr PI-40493 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.1 CC(=O)NCO PI-29791 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.1 CC(CCO)N PI-34839 [1,1,0,0,0,0|0,0,1]=3 202 B5R0.1 CC(CCO)N PI-35494 [1,1,0,0,0,0|0,0,1]=3 203 B5R0.1 CC(CCO)O PI-15618 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.1 CC=CC(=O)C PI-45740 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 CCCC(=O)N PI-32787 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.1 CCCC(C)N PI-36925 [1,1,0,0,0,0|1,0,1]=4 207 B5R0.1 CCCC(C)O PI-42533 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.1 CCC[C@@H](O)C PI-42532 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 CCOC(=O)C PI-13192 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.1 CCOC(=S)[S-] PI-47063 [1,1,0,0,0,0|0,2,0]=4 211 B5R0.1 CCSC(=O)C PI-48509 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.1 CCSC(=O)Cl PI-38596 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.1 CNCC(=O)O PI-45053 [1,1,0,0,0,0|0,0,0]=2 214 B5R0.1 COCC(O)C PI-12912 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.1 CSCC(=O)N PI-36555 [1,1,0,0,0,0|1,0,0]=3 216 B5R0.1 C[C@@H](CC#N)N PI-48104 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.1 C[C@H](CCO)N PI-35493 [1,1,0,0,0,0|0,0,1]=3 218 B5R0.1 C\C=C\C(=O)N PI-50568 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.1 C\C=C\C(=O)O PI-48966 [1,1,0,0,0,0|0,0,1]=3 220 B5R0.1 NC(CCC)=N PI-37197 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.1 NCCC(=O)O PI-14317 [1,1,0,0,0,0|0,0,0]=2 222 B5R0.1 O=C(O)CCS PI-40342 [1,1,0,0,0,0|0,0,0]=2 223 B5R0.1 O=C=NC(C)C PI-11403 [1,1,0,0,0,0|1,0,1]=4 224 B5R0.1 O=S(CSC)C PI-39632 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.1 OC(CON)=O PI-37190 [1,1,0,0,0,0|0,0,0]=2 226 B5R0.1 OCCC(=C)Br PI-34814 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.1 OCCC(=O)O PI-20855 [1,1,0,0,0,0|0,0,0]=2 228 B5R0.1 OCC[C@H](O)C PI-15617 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 C(=O)C(C=O)Br PI-39607 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 C(=O)C(C=O)Cl PI-39590 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.3 C(C(=O)NN)O PI-50333 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.3 C(C(=O)NN)S PI-50542 [1,1,0,0,0,0|1,1,0]=4 233 B5R0.3 C(C(C=O)O)O PI-14881 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.3 C(C(CCl)O)O PI-16668 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.3 C(C(CO)N)O PI-16192 [1,1,0,0,0,0|0,0,1]=3 236 B5R0.3 C(C(CO)O)N PI-10528 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.3 C([C@@H](CCl)O)N PI-48662 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 C=C[C@H](CO)N PI-48191 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.3 CCC(=C)C=O PI-44654 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.3 CCC(=O)CBr PI-20588 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.3 CCC(=O)NN PI-50290 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 CCC(CO)N PI-45910 [1,1,0,0,0,0|0,0,1]=3 243 B5R0.3 CNC(=O)CCl PI-39443 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.3 COC(=O)C#C PI-35828 [1,1,0,0,0,0|0,0,2]=4 245 B5R0.3 NCC(O)CO PI-12972 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.3 NC[C@H](O)CO PI-28266 [1,1,0,0,0,0|0,0,2]=4 247 B5R0.3 NNC(=O)NN PI-25605 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.3 N[C@H](CO)C=C PI-36414 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.3 O=C[C@@H](O)CO PI-14882 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.3 OCC(=C)CO PI-24347 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.3 OCC(CO)N PI-10243 [1,1,0,0,0,0|0,0,1]=3 252 B5R0.3 OCC(O)CO PI-12961 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 OC[C@H](O)CCl PI-16667 [1,1,0,0,0,0|1,0,1]=4 254 B5R0.4 CC(C)(C#N)N PI-12615 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.4 CC(C)(C)N=O PI-30849 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.4 CC(C)(CO)N PI-50412 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.4 CCS(=O)(=O)Cl PI-42937 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.4 CCS(=O)(=O)O PI-42934 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.4 NCC(O)(C)C PI-37508 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.4 NCS(=O)(=O)O PI-12154 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.4 OCC(F)(F)C PI-39537 [1,1,0,0,0,0|1,0,1]=4 262 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,1,0,0,0,1|0,0,0]=2 263 B7R0.2 CC(=CC(=O)OC)C PI-13263 [0,1,0,0,0,1|1,0,1]=4 264 B7R0.2 CC(=CC(=O)OC)N PI-13659 [0,1,0,0,0,1|0,0,1]=3 265 B7R0.2 CC(C)NC(=O)NN PI-50450 [0,1,0,0,0,1|2,0,0]=4 266 B7R0.2 CC(C)OC(=O)CO PI-35449 [0,1,0,0,0,1|1,0,0]=3 267 B7R0.2 CC(CC(=O)OC)N PI-42254 [0,1,0,0,0,1|0,0,0]=2 268 B7R0.2 CC(CC(=O)OC)O PI-42249 [0,1,0,0,0,1|1,0,0]=3 269 B7R0.2 CC(CC(=O)OC)O PI-42250 [0,1,0,0,0,1|1,0,0]=3 270 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [0,1,0,0,0,1|1,0,0]=3 271 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,1|2,0,0]=4 272 B7R0.2 COC(=O)CC(C)N PI-42155 [0,1,0,0,0,1|0,0,0]=2 273 B7R0.2 C[C@@H](N)CC(OC)=O PI-42154 [0,1,0,0,0,1|0,0,0]=2 274 B7R0.2 C[C@H](N)CC(OC)=O PI-42253 [0,1,0,0,0,1|0,0,0]=2 275 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,1,0,0,0,1|1,0,0]=3 276 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,1,0,0,0,1|1,0,0]=3 277 B7R0.2 O=C(OC(C)C)CN PI-46621 [0,1,0,0,0,1|2,0,0]=4 278 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,1,0,0,0,1|0,0,0]=2 279 B7R0.9 C(C(=O)O)C(F)(F)F PI-39059 [0,1,0,0,0,1|2,0,0]=4 280 B7R0.9 CC(=O)CC(C)(C)C PI-21968 [0,1,0,0,0,1|2,0,0]=4 281 B7R0.9 CC(=O)OC(C)(C)C PI-32776 [0,1,0,0,0,1|2,0,0]=4 282 B7R0.9 CC(C)(Br)CC(O)=O PI-46614 [0,1,0,0,0,1|1,0,0]=3 283 B7R0.9 CC(C)(C)OC(=O)N PI-43374 [0,1,0,0,0,1|2,0,0]=4 284 B7R0.9 CC(C)(CC(=O)[O-])O PI-26114 [0,1,0,0,0,1|1,0,1]=4 285 B7R0.9 ClC(=O)CC(C)(C)C PI-11617 [0,1,0,0,0,1|2,0,0]=4 286 B7R0.9 O=C(O)C[Si](C)(C)C PI-35314 [0,1,0,0,0,1|1,1,0]=4 287 B7R0.9 OC(=O)CC(C)(C)C PI-11616 [0,1,0,0,0,1|1,0,0]=3 288 B7R0.16 CC(C(C(=O)O)N)F PI-30663 [0,1,0,0,0,1|1,0,0]=3 289 B7R0.16 CC(C(C(=O)O)N)O PI-10276 [0,1,0,0,0,1|1,0,0]=3 290 B7R0.16 CC(C(C(=O)O)N)O PI-15755 [0,1,0,0,0,1|1,0,0]=3 291 B7R0.16 CC(C(C(=O)O)N)O PI-27180 [0,1,0,0,0,1|1,0,0]=3 292 B7R0.16 CC(C(C)N)C(=O)O PI-35160 [0,1,0,0,0,1|0,0,0]=2 293 B7R0.16 CC(C(C)N)C(=O)O PI-35161 [0,1,0,0,0,1|0,0,0]=2 294 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-12948 [0,1,0,0,0,1|1,0,1]=4 295 B7R0.16 CC(C)C(=O)C(=O)[O-] PI-18612 [0,1,0,0,0,1|1,0,1]=4 296 B7R0.16 CC(C)C(C(=O)O)Br PI-22142 [0,1,0,0,0,1|1,0,0]=3 297 B7R0.16 CC(C)C(C(=O)O)Br PI-22143 [0,1,0,0,0,1|1,0,0]=3 298 B7R0.16 CC(C)C(C(=O)O)Br PI-22144 [0,1,0,0,0,1|1,0,0]=3 299 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O PI-16564 [0,1,0,0,0,1|1,0,0]=3 300 B7R0.16 C[C@H](O)[C@H](N)C(=O)O PI-27434 [0,1,0,0,0,1|1,0,0]=3 301 B7R0.16 N[C@@H]([C@H](O)C)C(N)=O PI-41044 [0,1,0,0,0,1|2,0,0]=4 302 B7R0.16 N[C@H](C(C)C)C(N)=O PI-42206 [0,1,0,0,0,1|2,0,0]=4 303 B7R0.16 N[C@H](C(C)C)C(O)=O PI-16566 [0,1,0,0,0,1|1,0,0]=3 304 B7R0.16 OC(C(C)C)C(=O)O PI-27567 [0,1,0,0,0,1|1,0,0]=3 305 B7R0.5 C#CCC(C(=O)O)N PI-43612 [0,2,0,0,0,0|0,0,0]=2 306 B7R0.5 C#CCC(C(=O)O)N PI-43896 [0,2,0,0,0,0|0,0,0]=2 307 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,2,0,0,0,0|0,0,0]=2 309 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,2,0,0,0,0|0,0,0]=2 310 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,2,0,0,0,0|0,0,0]=2 311 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,2,0,0,0,0|0,0,0]=2 313 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,2,0,0,0,0|0,0,0]=2 314 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,2,0,0,0,0|0,0,0]=2 315 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,2,0,0,0,0|0,0,0]=2 317 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,2,0,0,0,0|0,0,0]=2 318 B7R0.5 CCOC(=O)C(=S)N PI-34781 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.5 CCOC(=O)C(Br)F PI-13394 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.5 CCOC(=O)C(C)Br PI-44612 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.5 CCOC(=O)C(C)F PI-12305 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.5 CCOC(=O)C(F)Cl PI-49444 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.5 CCOC(=O)C(F)F PI-24421 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.5 CCOC(=O)C(F)I PI-49445 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.5 CCOC(=O)C(N)C PI-10064 [0,2,0,0,0,0|0,0,0]=2 327 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [0,2,0,0,0,0|0,0,0]=2 328 B7R0.5 COCC(C(=O)O)N PI-14934 [0,2,0,0,0,0|0,0,0]=2 329 B7R0.5 COCC(C(=O)O)N PI-14935 [0,2,0,0,0,0|0,0,0]=2 330 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,2,0,0,0,0|0,0,0]=2 331 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,2,0,0,0,0|0,0,0]=2 332 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,2,0,0,0,0|0,0,0]=2 333 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,2,0,0,0,0|0,0,0]=2 334 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,2,0,0,0,0|0,0,0]=2 335 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,2,0,0,0,0|0,0,0]=2 336 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,2,0,0,0,0|0,0,0]=2 337 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,2,0,0,0,0|0,0,0]=2 338 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,2,0,0,0,0|0,0,0]=2 339 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,2,0,0,0,0|0,0,0]=2 340 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.10 CC(C(=O)NN)OC PI-50407 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.10 CC(CBr)C(=O)OC PI-44215 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.10 CC(CO)C(=O)OC PI-44130 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.10 CCC(C(=O)CC)O PI-47068 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.10 CCC(N)C(OC)=O PI-42163 [0,2,0,0,0,0|0,0,0]=2 346 B7R0.10 CC[C@@H](C(OC)=O)N PI-42161 [0,2,0,0,0,0|0,0,0]=2 347 B7R0.10 CC[C@H](C(=O)OC)N PI-48278 [0,2,0,0,0,0|0,0,0]=2 348 B7R0.10 COC(=O)C(=C)CBr PI-10940 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.10 COC(=O)C(=C)CCl PI-41261 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.10 COC(=O)C(=C)CO PI-41263 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.10 COC(=O)C(=O)NN PI-50286 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.10 COC(=O)C(CCl)N PI-28403 [0,2,0,0,0,0|0,0,0]=2 353 B7R0.10 COC(=O)C(CCl)N PI-39772 [0,2,0,0,0,0|0,0,0]=2 354 B7R0.10 COC(=O)C(CCl)N PI-41755 [0,2,0,0,0,0|0,0,0]=2 355 B7R0.10 COC(=O)C(CO)N PI-11634 [0,2,0,0,0,0|0,0,0]=2 356 B7R0.10 COC(=O)C(CO)O PI-42716 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.10 COC(=O)C(CS)N PI-15751 [0,2,0,0,0,0|0,0,0]=2 358 B7R0.10 COC(=O)[C@@H](CO)N PI-18716 [0,2,0,0,0,0|0,0,0]=2 359 B7R0.10 C[C@H](CBr)C(=O)OC PI-44175 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.10 C[C@H](CO)C(=O)OC PI-44174 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.10 OC[C@H]([C@H](C=O)O)O PI-27736 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.13 CC(C)(CCl)C(=O)Cl PI-20044 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.13 CC(C)(CCl)C(=O)O PI-47089 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.13 CC(C)(ON)C(O)=O PI-13417 [0,2,0,0,0,0|0,0,0]=2 365 B7R0.13 CC(CS)(C(=O)O)N PI-35158 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.13 CCC(C)(C(=O)O)N PI-26543 [0,2,0,0,0,0|0,0,0]=2 367 B7R0.13 CCC(C)(C(=O)O)N PI-26663 [0,2,0,0,0,0|0,0,0]=2 368 B7R0.13 CCC(C)(C(=O)O)N PI-26777 [0,2,0,0,0,0|0,0,0]=2 369 B7R0.13 CCC(C)(C(=O)O)N PI-26778 [0,2,0,0,0,0|0,0,0]=2 370 B7R0.13 CCC(C)(C(=O)O)O PI-27533 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.13 CCC(C)(C)C(=O)Cl PI-25709 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.13 CCC(C)(C)C(=O)O PI-13120 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.13 C[C@](N)(CS)C(=O)O PI-35159 [0,2,0,0,0,0|0,0,0]=2 374 B7R0.13 OC[C@@](C(=O)O)(N)C PI-14964 [0,2,0,0,0,0|0,0,0]=2 375 B7R0.14 CC(C)(C(=O)NN)O PI-50406 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.14 CC(C)(C(=O)OC)Br PI-12722 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.14 CC(C)(C(=O)OC)N PI-26154 [0,2,0,0,0,0|0,0,0]=2 378 B7R0.14 CC(C)(C)C(=O)CCl PI-44144 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.14 CC(C)(C)C(=O)CN PI-15868 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.14 CC(C)(C)C(=O)NN PI-50291 [0,2,0,0,0,0|2,0,0]=4 381 B7R0.14 COC(=O)C(O)(C)C PI-13169 [0,2,0,0,0,0|1,0,0]=3 382 B7R0.15 BrCC(CBr)C(=O)O PI-10928 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.15 CCC(CC)C(=O)[O-] PI-26914 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.15 CNC(CO)C(=O)O PI-43688 [0,2,0,0,0,0|0,0,0]=2 385 B5R1.2 C1C(=O)CN1 PI-48919 [1,0,0,1,0,0|1,0,0]=3 386 B5R1.2 NC1CCC1 PI-15786 [1,0,0,1,0,0|1,0,1]=4 387 B5R1.2 NC1COC1 PI-41949 [1,0,0,1,0,0|0,0,1]=3 388 B5R1.2 O=C1CCC1 PI-36783 [1,0,0,1,0,0|1,0,0]=3 389 B5R1.2 O=C1COC1 PI-38969 [1,0,0,1,0,0|2,0,0]=4 390 B5R1.2 OC1CNC1 PI-20728 [1,0,0,1,0,0|1,0,1]=4 391 B5R1.2 OC1COC1 PI-38454 [1,0,0,1,0,0|1,0,1]=4 392 B5R1.3 C1C(O1)CO PI-10360 [1,0,0,1,0,0|1,0,1]=4 393 B5R1.3 O=CC1CC1 PI-39221 [1,0,0,1,0,0|1,0,0]=3 394 B5R1.3 OC[C@H]1CO1 PI-10359 [1,0,0,1,0,0|1,0,1]=4 395 B5R1.4 C1[C@H]([C@@H]1N)N PI-49016 [1,0,0,1,0,0|1,0,1]=4 396 B7R1.2 C1C(=O)COC1=O PI-17979 [0,0,0,1,0,1|1,0,1]=4 397 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,1,0,1|1,0,0]=3 398 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,1|1,0,0]=3 399 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,1,0,1|1,0,1]=4 400 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,1|1,0,0]=3 401 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,1|2,0,0]=4 402 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,1|1,0,0]=3 403 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,1|1,0,0]=3 404 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,1|1,0,0]=3 405 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,0,0,1,0,1|1,0,1]=4 406 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,1|1,0,0]=3 407 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,1|2,0,0]=4 408 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,1|2,0,0]=4 409 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,1|2,0,0]=4 410 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,1|1,0,0]=3 411 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,1,0,1|1,0,0]=3 412 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,1,0,1|1,0,0]=3 413 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,0,1,0,1|1,0,0]=3 414 B7R1.4 BrC1CCOC1=O PI-37275 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.4 C1C(C(=O)NO1)N PI-16473 [0,1,0,1,0,0|0,0,0]=2 416 B7R1.4 C1CNC(=O)C1N PI-48181 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.4 C1COC(=O)C1N PI-45116 [0,1,0,1,0,0|0,0,0]=2 420 B7R1.4 C=C1CCOC1=O PI-13231 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.4 CC1=CCOC1=O PI-46986 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.4 CC1C(=O)CCO1 PI-14228 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.4 NC1CONC1=O PI-38463 [0,1,0,1,0,0|0,0,0]=2 424 B7R1.4 O=C1NCCC1C PI-27005 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.4 O=C1OCC[C@H]1N PI-39306 [0,1,0,1,0,0|0,0,0]=2 427 B7R1.4 O[C@@H]1CCC[C@H]1N PI-27472 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.4 O[C@@H]1[C@H](N)CCC1 PI-37163 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38121 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.4 O[C@H]1CCC[C@@H]1N PI-38122 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,1,0,1,0,0|0,0,0]=2 432 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,1,0,1,0,0|0,0,0]=2 435 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,1,0,1,0,0|0,0,0]=2 436 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,1,0,1,0,0|0,0,0]=2 437 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,1,0,1,0,0|0,0,0]=2 438 B7R1.19 NC1(CC1)C(O)=O PI-17131 [0,1,0,1,0,0|0,0,0]=2 439 B7R1.19 OC(=O)C1(C)CC1 PI-17167 [0,1,0,1,0,0|1,0,0]=3 440 B7R1.19 OC(=O)C1(F)CC1 PI-39666 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.19 OC(=O)C1(N)CC1 PI-17130 [0,1,0,1,0,0|0,0,0]=2 442 B7R1.19 OC(=O)C1(O)CC1 PI-17158 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.22 C1CC1C(=O)NN PI-17834 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.22 COC(=O)C1CC1 PI-32774 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.22 COC(=O)[C@@H]1CO1 PI-10844 [0,1,0,1,0,0|1,0,0]=3 446 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,0,0,0,0,2|1,0,1]=4 447 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,2|1,0,1]=4 448 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,2|1,0,1]=4 449 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,0,0,0,0,2|1,0,0]=3 450 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,0,0,0,0,2|2,0,0]=4