0 B5R0.3 BrCC(=C)CBr 1P003JGS [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 BrCC(=O)CBr 1P00521Z [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 BrCC(CBr)Br 1P00IK6R [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 BrCC(CBr)C 1P00BI26 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 BrCC(CBr)O 1P003DZO [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 BrC[C@@H](CC)C 1P01FWR0 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C=CC(C=C)O 1P0060YF [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CC(C#C)CN 1P028SK5 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 CC(C#N)CBr 1P01APKU [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 CC(C#N)CC 1P003I5O [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CC(C#N)CCl 1P003JO0 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CC(C#N)CN 1P01A9SN [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CC(C=C)CBr 1P00CN82 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 CC(C=C)CN 1P028SHC [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 CC(C=C)CO 1P003I34 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CC(NC)CF 1P028W2G [0,0,0,0,0,0|4,0,0]=4 16 B5R0.3 CC(NC)CN 1P01AHQE [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CC(NC)CO 1P002USE [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CC(OC)CBr 1P01A6K3 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.3 CC(OC)CI 1P01BE8C [0,0,0,0,0,0|4,0,0]=4 20 B5R0.3 CC(OC)CN 1P00FGE1 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.3 CC(OC)CO 1P001RGP [0,0,0,0,0,0|3,0,0]=3 22 B5R0.3 CC(OC)CS 1P0280JM [0,0,0,0,0,0|3,1,0]=4 23 B5R0.3 CC(ON)CC 1P01A559 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.3 CC(SC)CO 1P002A2F [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 CCC(=C)CBr 1P00ERJN [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CCC(=C)CC 1P003HND [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 CCC(=C)CN 1P00J3CC [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 CCC(=C)CO 1P019TC3 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.3 CCC(=N)NO 1P002YKL [0,0,0,0,0,0|3,0,1]=4 30 B5R0.3 CCC(=NO)N 1P00J3M4 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.3 CCC(=O)CC 1P003KBG [0,0,0,0,0,0|2,0,2]=4 32 B5R0.3 CCC(=O)CCl 1P00E9KQ [0,0,0,0,0,0|2,0,2]=4 33 B5R0.3 CCC(=O)CN 1P007UM4 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 CCC(=O)CO 1P00DBTG [0,0,0,0,0,0|1,0,2]=3 35 B5R0.3 CCC(=O)NO 1P00BVXV [0,0,0,0,0,0|2,0,2]=4 36 B5R0.3 CCC(C#C)N 1P018SNI [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 CCC(C#C)O 1P003F22 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 CCC(C#N)Br 1P00CLVR [0,0,0,0,0,0|3,0,1]=4 39 B5R0.3 CCC(C#N)Cl 1P00CS0C [0,0,0,0,0,0|3,0,1]=4 40 B5R0.3 CCC(C#N)N 1P0062H1 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.3 CCC(C#N)O 1P00DEE8 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.3 CCC(CBr)Br 1P003DUE [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 CCC(CBr)C 1P0032OY [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 CCC(CBr)N 1P028IUT [0,0,0,0,0,0|3,0,0]=3 45 B5R0.3 CCC(CBr)O 1P002Q0C [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 CCC(CC)Br 1P0022X3 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.3 CCC(CC)I 1P0022X4 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.3 CCC(CC)N 1P003JEI [0,0,0,0,0,0|3,0,0]=3 49 B5R0.3 CCC(CC)O 1P003KBF [0,0,0,0,0,0|2,0,0]=2 50 B5R0.3 CCC(CC)S 1P00F3I5 [0,0,0,0,0,0|2,1,0]=3 51 B5R0.3 CCC(CCl)C 1P00EBG7 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.3 CCC(CCl)Cl 1P003DUP [0,0,0,0,0,0|3,0,0]=3 53 B5R0.3 CCC(CCl)O 1P00AYVS [0,0,0,0,0,0|2,0,0]=2 54 B5R0.3 CCC(CF)N 1P01BA0M [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 CCC(CI)C 1P00E9YB [0,0,0,0,0,0|3,0,0]=3 56 B5R0.3 CCC(CI)N 1P028G3P [0,0,0,0,0,0|3,0,0]=3 57 B5R0.3 CCC(CI)O 1P000N6V [0,0,0,0,0,0|2,0,0]=2 58 B5R0.3 CCC(CN)C 1P00IK6S [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 CCC(CN)C 1P01C477 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.3 CCC(CN)F 1P019UMD [0,0,0,0,0,0|3,0,0]=3 61 B5R0.3 CCC(CN)N 1P01AB6T [0,0,0,0,0,0|3,0,0]=3 62 B5R0.3 CCC(CN)O 1P003EEI [0,0,0,0,0,0|2,0,0]=2 63 B5R0.3 CCC(CN)S 1P01EJ6L [0,0,0,0,0,0|2,1,0]=3 64 B5R0.3 CCC(CO)Br 1P006XVW [0,0,0,0,0,0|2,0,0]=2 65 B5R0.3 CCC(CO)C 1P001351 [0,0,0,0,0,0|2,0,0]=2 66 B5R0.3 CCC(CO)Cl 1P01AMF6 [0,0,0,0,0,0|2,0,0]=2 67 B5R0.3 CCC(CO)N 1P003GSS [0,0,0,0,0,0|2,0,0]=2 68 B5R0.3 CCC(CO)O 1P003BGJ [0,0,0,0,0,0|1,0,0]=1 69 B5R0.3 CCC(CS)C 1P002GYX [0,0,0,0,0,0|2,1,0]=3 70 B5R0.3 CCC(CS)N 1P01A3ND [0,0,0,0,0,0|2,1,0]=3 71 B5R0.3 CCC(CS)O 1P01BIJJ [0,0,0,0,0,0|1,1,0]=2 72 B5R0.3 CCC(CS)S 1P001SRO [0,0,0,0,0,0|1,2,0]=3 73 B5R0.3 CCC(NC)C 1P003FJM [0,0,0,0,0,0|4,0,0]=4 74 B5R0.3 CCC(NC)C 1P005R74 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.3 CCC(NN)C 1P009A22 [0,0,0,0,0,0|4,0,0]=4 76 B5R0.3 CCC(OC)C 1P003UOY [0,0,0,0,0,0|4,0,0]=4 77 B5R0.3 CCN(CC)C 1P00E9VL [0,0,0,0,0,0|4,0,0]=4 78 B5R0.3 CCN(CC)O 1P0035RT [0,0,0,0,0,0|3,0,0]=3 79 B5R0.3 CCP(=O)CC 1P00357C [0,0,0,0,0,0|3,0,1]=4 80 B5R0.3 CCS(=O)CC 1P006ANF [0,0,0,0,0,0|3,0,1]=4 81 B5R0.3 CC[C@@H](C#N)N 1P01ADHP [0,0,0,0,0,0|3,0,1]=4 82 B5R0.3 CC[C@@H](CCl)N 1P028G0F [0,0,0,0,0,0|3,0,0]=3 83 B5R0.3 CC[C@@H](CI)C 1P002YPR [0,0,0,0,0,0|3,0,0]=3 84 B5R0.3 CC[C@@H](CN)C 1P002IUT [0,0,0,0,0,0|3,0,0]=3 85 B5R0.3 CC[C@@H](CN)C 1P0201XK [0,0,0,0,0,0|3,0,0]=3 86 B5R0.3 CC[C@@H](CN)O 1P01B9RT [0,0,0,0,0,0|2,0,0]=2 87 B5R0.3 CC[C@@H](CO)C 1P001P8L [0,0,0,0,0,0|2,0,0]=2 88 B5R0.3 CC[C@@H](CO)N 1P003CWW [0,0,0,0,0,0|2,0,0]=2 89 B5R0.3 CC[C@@H](CO)O 1P003709 [0,0,0,0,0,0|1,0,0]=1 90 B5R0.3 CC[C@@H](CS)N 1P028FQI [0,0,0,0,0,0|2,1,0]=3 91 B5R0.3 CC[C@@H](NC)C 1P02859U [0,0,0,0,0,0|4,0,0]=4 92 B5R0.3 CC[C@H](C#N)N 1P01ACU7 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.3 CC[C@H](CBr)O 1P0292ZO [0,0,0,0,0,0|2,0,0]=2 94 B5R0.3 CC[C@H](CCl)N 1P028FOW [0,0,0,0,0,0|3,0,0]=3 95 B5R0.3 CC[C@H](CN)O 1P00J2QC [0,0,0,0,0,0|2,0,0]=2 96 B5R0.3 CC[C@H](CO)C 1P00EBJG [0,0,0,0,0,0|2,0,0]=2 97 B5R0.3 CC[C@H](CO)N 1P0032U5 [0,0,0,0,0,0|2,0,0]=2 98 B5R0.3 CC[C@H](CO)O 1P00I8DI [0,0,0,0,0,0|1,0,0]=1 99 B5R0.3 CC[C@H](CS)N 1P028YXX [0,0,0,0,0,0|2,1,0]=3 100 B5R0.3 CC[C@H](NC)C 1P01R96I [0,0,0,0,0,0|4,0,0]=4 101 B5R0.3 CC[SiH](CC)C 1P0058VP [0,0,0,0,0,0|3,1,0]=4 102 B5R0.3 CC\C(=N\O)\N 1P00J2ED [0,0,0,0,0,0|3,0,1]=4 103 B5R0.3 CNC(=O)CO 1P00DD9R [0,0,0,0,0,0|2,0,2]=4 104 B5R0.3 COC(=O)CO 1P0035PJ [0,0,0,0,0,0|2,0,2]=4 105 B5R0.3 C[C@@H](C#N)CN 1P0280ES [0,0,0,0,0,0|3,0,1]=4 106 B5R0.3 C[C@@H](NC)CF 1P0287PK [0,0,0,0,0,0|4,0,0]=4 107 B5R0.3 C[C@@H](NC)CO 1P01B9ZG [0,0,0,0,0,0|3,0,0]=3 108 B5R0.3 C[C@@H](NC)CO 1P01BA5X [0,0,0,0,0,0|3,0,0]=3 109 B5R0.3 C[C@@H](OC)CN 1P00ACLI [0,0,0,0,0,0|4,0,0]=4 110 B5R0.3 C[C@@H](OC)CN 1P00GV5Q [0,0,0,0,0,0|4,0,0]=4 111 B5R0.3 C[C@@H](OC)CO 1P0037UW [0,0,0,0,0,0|3,0,0]=3 112 B5R0.3 C[C@@H](OC)CS 1P028LJS [0,0,0,0,0,0|3,1,0]=4 113 B5R0.3 C[C@H](C#N)CN 1P0280D9 [0,0,0,0,0,0|3,0,1]=4 114 B5R0.3 C[C@H](NC)CF 1P028DN7 [0,0,0,0,0,0|4,0,0]=4 115 B5R0.3 C[C@H](NC)CN 1P028HC6 [0,0,0,0,0,0|4,0,0]=4 116 B5R0.3 C[C@H](NC)CO 1P01B9S4 [0,0,0,0,0,0|3,0,0]=3 117 B5R0.3 C[C@H](NC)CO 1P01B9VN [0,0,0,0,0,0|3,0,0]=3 118 B5R0.3 C[C@H](OC)CN 1P00GV5R [0,0,0,0,0,0|4,0,0]=4 119 B5R0.3 C[C@H](OC)CN 1P00GV5S [0,0,0,0,0,0|4,0,0]=4 120 B5R0.3 C[C@H](OC)CO 1P000CX7 [0,0,0,0,0,0|3,0,0]=3 121 B5R0.3 C[C@H](OC)CS 1P0280S0 [0,0,0,0,0,0|3,1,0]=4 122 B5R0.3 ClC(C#N)CCl 1P002RUO [0,0,0,0,0,0|3,0,1]=4 123 B5R0.3 ClC(C=C)CCl 1P003IWJ [0,0,0,0,0,0|3,0,1]=4 124 B5R0.3 ClCC(=C)CCl 1P003440 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.3 ClCC(=O)CCl 1P00DTUY [0,0,0,0,0,0|2,0,2]=4 126 B5R0.3 ClCC(CBr)Br 1P003DUA [0,0,0,0,0,0|3,0,0]=3 127 B5R0.3 ClCC(CBr)C 1P003BHV [0,0,0,0,0,0|3,0,0]=3 128 B5R0.3 ClCC(CCl)Cl 1P006917 [0,0,0,0,0,0|3,0,0]=3 129 B5R0.3 ClCC(CCl)O 1P003DZY [0,0,0,0,0,0|2,0,0]=2 130 B5R0.3 ClC[C@@H](CI)O 1P01JUXC [0,0,0,0,0,0|2,0,0]=2 131 B5R0.3 FCC(=C)CF 1P01B8O5 [0,0,0,0,0,0|3,0,1]=4 132 B5R0.3 FCC(CBr)O 1P00C2KE [0,0,0,0,0,0|2,0,0]=2 133 B5R0.3 FCC(CF)I 1P01KYW2 [0,0,0,0,0,0|3,0,0]=3 134 B5R0.3 FCC(CF)N 1P00ID5D [0,0,0,0,0,0|3,0,0]=3 135 B5R0.3 FCC(CF)O 1P003E0C [0,0,0,0,0,0|2,0,0]=2 136 B5R0.3 FC[C@@H](CCl)O 1P002ELU [0,0,0,0,0,0|2,0,0]=2 137 B5R0.3 FC[C@H](CCl)O 1P0280YH [0,0,0,0,0,0|2,0,0]=2 138 B5R0.3 ICC(=C)CI 1P01HDDB [0,0,0,0,0,0|3,0,1]=4 139 B5R0.3 ICC(CI)C 1P00B6JV [0,0,0,0,0,0|3,0,0]=3 140 B5R0.3 NC(=NO)CCl 1P007JEW [0,0,0,0,0,0|3,0,1]=4 141 B5R0.3 NC(C#C)CO 1P01API1 [0,0,0,0,0,0|2,0,1]=3 142 B5R0.3 NC(C#N)CO 1P01ACIC [0,0,0,0,0,0|2,0,1]=3 143 B5R0.3 NC(C=C)CO 1P01BCLD [0,0,0,0,0,0|2,0,1]=3 144 B5R0.3 NCC(=C)CN 1P01AVAM [0,0,0,0,0,0|3,0,1]=4 145 B5R0.3 NCC(=C)CO 1P01B38X [0,0,0,0,0,0|2,0,1]=3 146 B5R0.3 NCC(=NO)N 1P0285PB [0,0,0,0,0,0|3,0,1]=4 147 B5R0.3 NCC(=O)CCl 1P027VFF [0,0,0,0,0,0|2,0,2]=4 148 B5R0.3 NCC(=O)CN 1P00EE76 [0,0,0,0,0,0|2,0,2]=4 149 B5R0.3 NCC(=O)NO 1P00DG4H [0,0,0,0,0,0|2,0,2]=4 150 B5R0.3 NCC(C#C)O 1P02894Y [0,0,0,0,0,0|2,0,1]=3 151 B5R0.3 NCC(C#N)N 1P01A4SU [0,0,0,0,0,0|3,0,1]=4 152 B5R0.3 NCC(C=C)F 1P028UOK [0,0,0,0,0,0|3,0,1]=4 153 B5R0.3 NCC(C=C)O 1P0011H6 [0,0,0,0,0,0|2,0,1]=3 154 B5R0.3 NCC(C=C)O 1P027VLI [0,0,0,0,0,0|2,0,1]=3 155 B5R0.3 NCC(CBr)Br 1P005VXM [0,0,0,0,0,0|3,0,0]=3 156 B5R0.3 NCC(CCl)C 1P00IKCJ [0,0,0,0,0,0|3,0,0]=3 157 B5R0.3 NCC(CCl)O 1P0037I9 [0,0,0,0,0,0|2,0,0]=2 158 B5R0.3 NCC(CF)O 1P019GLG [0,0,0,0,0,0|2,0,0]=2 159 B5R0.3 NCC(CN)C 1P003I1P [0,0,0,0,0,0|3,0,0]=3 160 B5R0.3 NCC(CN)F 1P028L8G [0,0,0,0,0,0|3,0,0]=3 161 B5R0.3 NCC(CN)N 1P019TGA [0,0,0,0,0,0|3,0,0]=3 162 B5R0.3 NCC(CN)O 1P00IBCX [0,0,0,0,0,0|2,0,0]=2 163 B5R0.3 NCC(CO)C 1P001O5X [0,0,0,0,0,0|2,0,0]=2 164 B5R0.3 NCC(CO)C 1P006JX9 [0,0,0,0,0,0|2,0,0]=2 165 B5R0.3 NCC(CO)F 1P0053A7 [0,0,0,0,0,0|2,0,0]=2 166 B5R0.3 NCC(CO)F 1P021X21 [0,0,0,0,0,0|2,0,0]=2 167 B5R0.3 NCC(CO)N 1P01AG38 [0,0,0,0,0,0|2,0,0]=2 168 B5R0.3 NCC(CO)O 1P0032RQ [0,0,0,0,0,0|1,0,0]=1 169 B5R0.3 NCC(NC)C 1P01BEK5 [0,0,0,0,0,0|4,0,0]=4 170 B5R0.3 NC[C@@H](CCl)O 1P00BY10 [0,0,0,0,0,0|2,0,0]=2 171 B5R0.3 NC[C@@H](CO)C 1P00IFOF [0,0,0,0,0,0|2,0,0]=2 172 B5R0.3 NC[C@@H](CO)F 1P00ILF4 [0,0,0,0,0,0|2,0,0]=2 173 B5R0.3 NC[C@@H](CO)F 1P023OS0 [0,0,0,0,0,0|2,0,0]=2 174 B5R0.3 NC[C@@H](CO)N 1P01A5TP [0,0,0,0,0,0|2,0,0]=2 175 B5R0.3 NC[C@@H](CO)O 1P002KW4 [0,0,0,0,0,0|1,0,0]=1 176 B5R0.3 NC[C@@H](CO)O 1P003VXC [0,0,0,0,0,0|1,0,0]=1 177 B5R0.3 NC[C@H](CCl)O 1P00CNP3 [0,0,0,0,0,0|2,0,0]=2 178 B5R0.3 NC[C@H](CO)C 1P007F3A [0,0,0,0,0,0|2,0,0]=2 179 B5R0.3 NC[C@H](CO)C 1P028ZRU [0,0,0,0,0,0|2,0,0]=2 180 B5R0.3 NC[C@H](CO)F 1P00ILHM [0,0,0,0,0,0|2,0,0]=2 181 B5R0.3 NC[C@H](CO)N 1P01A7EX [0,0,0,0,0,0|2,0,0]=2 182 B5R0.3 NC[C@H](CO)O 1P003CQ6 [0,0,0,0,0,0|1,0,0]=1 183 B5R0.3 NNC(=O)CO 1P007E6R [0,0,0,0,0,0|2,0,2]=4 184 B5R0.3 N[C@@H](C=C)CO 1P00BDW2 [0,0,0,0,0,0|2,0,1]=3 185 B5R0.3 N[C@H](C=C)CO 1P00C07G [0,0,0,0,0,0|2,0,1]=3 186 B5R0.3 OC(C#C)C#C 1P003E60 [0,0,0,0,0,0|2,0,2]=4 187 B5R0.3 OC(C#N)C=C 1P00EYWW [0,0,0,0,0,0|2,0,2]=4 188 B5R0.3 OC(C=C)CBr 1P00EDOK [0,0,0,0,0,0|2,0,1]=3 189 B5R0.3 OC(C=C)CO 1P003374 [0,0,0,0,0,0|1,0,1]=2 190 B5R0.3 OCC(=C)C#N 1P00K6CW [0,0,0,0,0,0|2,0,2]=4 191 B5R0.3 OCC(=C)CBr 1P01ADNH [0,0,0,0,0,0|2,0,1]=3 192 B5R0.3 OCC(=C)CF 1P028BX1 [0,0,0,0,0,0|2,0,1]=3 193 B5R0.3 OCC(=C)CO 1P0036EB [0,0,0,0,0,0|1,0,1]=2 194 B5R0.3 OCC(=CI)I 1P028VSN [0,0,0,0,0,0|2,0,2]=4 195 B5R0.3 OCC(=N)NO 1P005CBZ [0,0,0,0,0,0|2,0,1]=3 196 B5R0.3 OCC(=O)CO 1P00332C [0,0,0,0,0,0|0,0,2]=2 197 B5R0.3 OCC(C=C)F 1P0283T0 [0,0,0,0,0,0|2,0,1]=3 198 B5R0.3 OCC(C=O)O 1P00BEK0 [0,0,0,0,0,0|0,0,2]=2 199 B5R0.3 OCC(CBr)Br 1P006T5M [0,0,0,0,0,0|2,0,0]=2 200 B5R0.3 OCC(CBr)C 1P0075IM [0,0,0,0,0,0|2,0,0]=2 201 B5R0.3 OCC(CBr)F 1P01E7KF [0,0,0,0,0,0|2,0,0]=2 202 B5R0.3 OCC(CBr)O 1P00DF5A [0,0,0,0,0,0|1,0,0]=1 203 B5R0.3 OCC(CCl)Cl 1P003FXP [0,0,0,0,0,0|2,0,0]=2 204 B5R0.3 OCC(CCl)O 1P0036LI [0,0,0,0,0,0|1,0,0]=1 205 B5R0.3 OCC(CF)F 1P01PCWA [0,0,0,0,0,0|2,0,0]=2 206 B5R0.3 OCC(CO)C 1P003I1Q [0,0,0,0,0,0|1,0,0]=1 207 B5R0.3 OCC(CO)Cl 1P00DFIC [0,0,0,0,0,0|1,0,0]=1 208 B5R0.3 OCC(CO)N 1P0033JG [0,0,0,0,0,0|1,0,0]=1 209 B5R0.3 OCC(CO)N 1P003UPC [0,0,0,0,0,0|1,0,0]=1 210 B5R0.3 OCC(CO)O 1P002TPL [0,0,0,0,0,0|0,0,0]=0 211 B5R0.3 OCC(CO)O 1P0035FJ [0,0,0,0,0,0|0,0,0]=0 212 B5R0.3 OCC(CO)O 1P00GV8Q [0,0,0,0,0,0|0,0,0]=0 213 B5R0.3 OCC(CS)C 1P019SMR [0,0,0,0,0,0|1,1,0]=2 214 B5R0.3 OCC(CS)O 1P006SH0 [0,0,0,0,0,0|0,1,0]=1 215 B5R0.3 OCC(CS)S 1P003FZZ [0,0,0,0,0,0|0,2,0]=2 216 B5R0.3 OCC(NN)C 1P00J08R [0,0,0,0,0,0|3,0,0]=3 217 B5R0.3 OC[C@@H](CBr)C 1P003CXU [0,0,0,0,0,0|2,0,0]=2 218 B5R0.3 OC[C@@H](CBr)O 1P0013UE [0,0,0,0,0,0|1,0,0]=1 219 B5R0.3 OC[C@@H](CCl)O 1P00IB7Z [0,0,0,0,0,0|1,0,0]=1 220 B5R0.3 OC[C@@H](CF)N 1P02032H [0,0,0,0,0,0|2,0,0]=2 221 B5R0.3 OC[C@@H](CF)O 1P00I73B [0,0,0,0,0,0|1,0,0]=1 222 B5R0.3 OC[C@@H](CS)O 1P008RHS [0,0,0,0,0,0|0,1,0]=1 223 B5R0.3 OC[C@H](CBr)C 1P003CKN [0,0,0,0,0,0|2,0,0]=2 224 B5R0.3 OC[C@H](CBr)O 1P001JW1 [0,0,0,0,0,0|1,0,0]=1 225 B5R0.3 OC[C@H](CCl)O 1P003CJQ [0,0,0,0,0,0|1,0,0]=1 226 B5R0.3 OC[C@H](CF)N 1P02032G [0,0,0,0,0,0|2,0,0]=2 227 B5R0.3 OC[C@H](CF)O 1P00D1EW [0,0,0,0,0,0|1,0,0]=1 228 B5R0.3 OC[C@H](CS)O 1P001VNE [0,0,0,0,0,0|0,1,0]=1 229 B5R0.3 OC\C(=C/I)\I 1P0282I3 [0,0,0,0,0,0|2,0,2]=4 230 B5R0.3 OC\C(=N\O)\N 1P00J374 [0,0,0,0,0,0|2,0,1]=3 231 B5R0.3 O[C@@H](C=C)CO 1P0032XQ [0,0,0,0,0,0|1,0,1]=2 232 B5R0.3 O[C@@H](C=O)CO 1P003POB [0,0,0,0,0,0|0,0,2]=2 233 B5R0.3 O[C@H](C=O)CO 1P00DEET [0,0,0,0,0,0|0,0,2]=2 234 B5R0.3 SCC(CS)N 1P01QN6R [0,0,0,0,0,0|1,2,0]=3 235 B5R0.3 [C-]#[N+]C(CC)C 1P00HWCJ [0,0,0,0,0,0|4,0,0]=4 236 B4R0.1 *CC(C)* 1P006XYD [1,0,0,0,0,0|2,0,0]=3 237 B4R0.1 *CC(O)* 1P003A56 [1,0,0,0,0,0|2,0,0]=3 238 B4R0.1 BrCC(Br)Br 1P0051XJ [1,0,0,0,0,0|3,0,0]=4 239 B4R0.1 BrCC(Br)C 1P003DUK [1,0,0,0,0,0|2,0,0]=3 240 B4R0.1 BrCC(C)C 1P003366 [1,0,0,0,0,0|2,0,0]=3 241 B4R0.1 Br[Mg]C(C)C 1P0035IZ [1,0,0,0,0,0|3,0,0]=4 242 B4R0.1 CC(=C)CBr 1P001DW1 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.1 CC(=C)CCl 1P0037OP [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 CC(=C)CI 1P00CNG6 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 CC(=C)CN 1P002WWW [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 CC(=C)CN 1P003I52 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 CC(=NO)N 1P00DDO0 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.1 CC(=NO)N 1P01EIQU [1,0,0,0,0,0|2,0,1]=4 249 B4R0.1 CC(=O)CN 1P0034X5 [1,0,0,0,0,0|1,0,2]=4 250 B4R0.1 CC(=O)CO 1P000HWA [1,0,0,0,0,0|0,0,2]=3 251 B4R0.1 CC(=O)NO 1P00394C [1,0,0,0,0,0|1,0,2]=4 252 B4R0.1 CC(C#C)Cl 1P002L47 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.1 CC(C#C)N 1P0030F7 [1,0,0,0,0,0|2,0,1]=4 254 B4R0.1 CC(C#C)N 1P00BYZW [1,0,0,0,0,0|2,0,1]=4 255 B4R0.1 CC(C#C)O 1P0028WL [1,0,0,0,0,0|1,0,1]=3 256 B4R0.1 CC(C#N)Br 1P0033NK [1,0,0,0,0,0|2,0,1]=4 257 B4R0.1 CC(C#N)C 1P0038WA [1,0,0,0,0,0|2,0,1]=4 258 B4R0.1 CC(C#N)Cl 1P001WAB [1,0,0,0,0,0|2,0,1]=4 259 B4R0.1 CC(C#N)I 1P0085M8 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.1 CC(C#N)N 1P003AP2 [1,0,0,0,0,0|2,0,1]=4 261 B4R0.1 CC(C=C)Cl 1P00343Y [1,0,0,0,0,0|2,0,1]=4 262 B4R0.1 CC(C=C)N 1P01A1MZ [1,0,0,0,0,0|2,0,1]=4 263 B4R0.1 CC(C=C)N 1P01AL0X [1,0,0,0,0,0|2,0,1]=4 264 B4R0.1 CC(C=C)O 1P003JM7 [1,0,0,0,0,0|1,0,1]=3 265 B4R0.1 CC(C=O)Br 1P002CQO [1,0,0,0,0,0|1,0,2]=4 266 B4R0.1 CC(C=O)Cl 1P006MCM [1,0,0,0,0,0|1,0,2]=4 267 B4R0.1 CC(CBr)N 1P01S4HF [1,0,0,0,0,0|2,0,0]=3 268 B4R0.1 CC(CBr)O 1P003EK9 [1,0,0,0,0,0|1,0,0]=2 269 B4R0.1 CC(CCl)Br 1P0037V7 [1,0,0,0,0,0|2,0,0]=3 270 B4R0.1 CC(CCl)N 1P01ACHD [1,0,0,0,0,0|2,0,0]=3 271 B4R0.1 CC(CCl)O 1P000WZ9 [1,0,0,0,0,0|1,0,0]=2 272 B4R0.1 CC(CF)I 1P028LP7 [1,0,0,0,0,0|2,0,0]=3 273 B4R0.1 CC(CF)N 1P01BBXX [1,0,0,0,0,0|2,0,0]=3 274 B4R0.1 CC(CF)O 1P00705J [1,0,0,0,0,0|1,0,0]=2 275 B4R0.1 CC(CI)F 1P0278ZD [1,0,0,0,0,0|2,0,0]=3 276 B4R0.1 CC(CI)N 1P0286IZ [1,0,0,0,0,0|2,0,0]=3 277 B4R0.1 CC(CI)O 1P01BFNN [1,0,0,0,0,0|1,0,0]=2 278 B4R0.1 CC(CN)Br 1P01DMAL [1,0,0,0,0,0|2,0,0]=3 279 B4R0.1 CC(CN)Cl 1P01B9EP [1,0,0,0,0,0|2,0,0]=3 280 B4R0.1 CC(CN)F 1P01EIGV [1,0,0,0,0,0|2,0,0]=3 281 B4R0.1 CC(CN)O 1P0039OT [1,0,0,0,0,0|1,0,0]=2 282 B4R0.1 CC(CN)O 1P003RL3 [1,0,0,0,0,0|1,0,0]=2 283 B4R0.1 CC(CN)S 1P00COSD [1,0,0,0,0,0|1,1,0]=3 284 B4R0.1 CC(CO)Br 1P00EKKP [1,0,0,0,0,0|1,0,0]=2 285 B4R0.1 CC(CO)Cl 1P005PDW [1,0,0,0,0,0|1,0,0]=2 286 B4R0.1 CC(CO)F 1P00C1AE [1,0,0,0,0,0|1,0,0]=2 287 B4R0.1 CC(CO)N 1P003Q9X [1,0,0,0,0,0|1,0,0]=2 288 B4R0.1 CC(CO)S 1P00C5FE [1,0,0,0,0,0|0,1,0]=2 289 B4R0.1 CC(CS)N 1P01A3A6 [1,0,0,0,0,0|1,1,0]=3 290 B4R0.1 CC(CS)O 1P003EX2 [1,0,0,0,0,0|0,1,0]=2 291 B4R0.1 CC([N+]#[C-])C 1P003RLN [1,0,0,0,0,0|3,0,0]=4 292 B4R0.1 CCB(O)O 1P003QYO [1,0,0,0,0,0|2,0,0]=3 293 B4R0.1 CCC(=O)O 1P0035ZO [1,0,0,0,0,0|1,0,2]=4 294 B4R0.1 CCC(=S)O 1P002IJ9 [1,0,0,0,0,0|1,1,1]=4 295 B4R0.1 CCC(Br)C 1P0033MU [1,0,0,0,0,0|2,0,0]=3 296 B4R0.1 CCC(C)[O-] 1P003OA3 [1,0,0,0,0,0|1,0,1]=3 297 B4R0.1 CCC(Cl)C 1P003HIL [1,0,0,0,0,0|2,0,0]=3 298 B4R0.1 CCC(Cl)Cl 1P003DOZ [1,0,0,0,0,0|3,0,0]=4 299 B4R0.1 CCC(I)C 1P003UOW [1,0,0,0,0,0|2,0,0]=3 300 B4R0.1 CCC(N)C 1P001BNN [1,0,0,0,0,0|2,0,0]=3 301 B4R0.1 CCC(O)C 1P003H9W [1,0,0,0,0,0|1,0,0]=2 302 B4R0.1 CCC(O)O 1P002SZH [1,0,0,0,0,0|1,0,0]=2 303 B4R0.1 CCC(S)C 1P003H9V [1,0,0,0,0,0|1,1,0]=3 304 B4R0.1 CCC([Mg+])C 1P003UP2 [1,0,0,0,0,0|2,0,0]=3 305 B4R0.1 CCC([NH3+])C 1P00I9XG [1,0,0,0,0,0|2,0,0]=3 306 B4R0.1 CCN(N)C 1P01BBPA [1,0,0,0,0,0|3,0,0]=4 307 B4R0.1 CCP(=O)C 1P027S1I [1,0,0,0,0,0|2,0,1]=4 308 B4R0.1 CC[C@@H](N)C 1P0032WO [1,0,0,0,0,0|2,0,0]=3 309 B4R0.1 CC[C@@H](N)C 1P00I6FG [1,0,0,0,0,0|2,0,0]=3 310 B4R0.1 CC[C@@H](O)C 1P003CX5 [1,0,0,0,0,0|1,0,0]=2 311 B4R0.1 CC[C@H](N)C 1P00118A [1,0,0,0,0,0|2,0,0]=3 312 B4R0.1 CC[C@H](N)C 1P00I6FH [1,0,0,0,0,0|2,0,0]=3 313 B4R0.1 CC[C@H](O)C 1P001LSA [1,0,0,0,0,0|1,0,0]=2 314 B4R0.1 CC[SiH](C)C 1P008POW [1,0,0,0,0,0|2,1,0]=4 315 B4R0.1 COC(Cl)C 1P00JO5S [1,0,0,0,0,0|3,0,0]=4 316 B4R0.1 CSC(Cl)C 1P028L6G [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 C[C@@H](C#C)N 1P001GYG [1,0,0,0,0,0|2,0,1]=4 318 B4R0.1 C[C@@H](C#C)O 1P002XXJ [1,0,0,0,0,0|1,0,1]=3 319 B4R0.1 C[C@@H](C=C)N 1P00AO6Z [1,0,0,0,0,0|2,0,1]=4 320 B4R0.1 C[C@@H](C=C)N 1P024UN5 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.1 C[C@@H](CCl)O 1P00I7UO [1,0,0,0,0,0|1,0,0]=2 322 B4R0.1 C[C@@H](CF)N 1P019Z53 [1,0,0,0,0,0|2,0,0]=3 323 B4R0.1 C[C@@H](CN)O 1P003CWC [1,0,0,0,0,0|1,0,0]=2 324 B4R0.1 C[C@@H](CN)S 1P028700 [1,0,0,0,0,0|1,1,0]=3 325 B4R0.1 C[C@@H](CO)Cl 1P002G3X [1,0,0,0,0,0|1,0,0]=2 326 B4R0.1 C[C@@H](CO)F 1P00IF81 [1,0,0,0,0,0|1,0,0]=2 327 B4R0.1 C[C@@H](CO)N 1P0035JO [1,0,0,0,0,0|1,0,0]=2 328 B4R0.1 C[C@@H](CS)N 1P01DVGH [1,0,0,0,0,0|1,1,0]=3 329 B4R0.1 C[C@@H](CS)O 1P01BUOA [1,0,0,0,0,0|0,1,0]=2 330 B4R0.1 C[C@H](C#C)N 1P00H3GB [1,0,0,0,0,0|2,0,1]=4 331 B4R0.1 C[C@H](C#C)O 1P003CM6 [1,0,0,0,0,0|1,0,1]=3 332 B4R0.1 C[C@H](C#N)N 1P01A3JV [1,0,0,0,0,0|2,0,1]=4 333 B4R0.1 C[C@H](C=C)N 1P01EMC7 [1,0,0,0,0,0|2,0,1]=4 334 B4R0.1 C[C@H](C=C)O 1P00CLJ5 [1,0,0,0,0,0|1,0,1]=3 335 B4R0.1 C[C@H](CBr)O 1P00090L [1,0,0,0,0,0|1,0,0]=2 336 B4R0.1 C[C@H](CCl)O 1P002FO6 [1,0,0,0,0,0|1,0,0]=2 337 B4R0.1 C[C@H](CF)N 1P00IMQL [1,0,0,0,0,0|2,0,0]=3 338 B4R0.1 C[C@H](CN)F 1P027VQ9 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.1 C[C@H](CN)O 1P003CIX [1,0,0,0,0,0|1,0,0]=2 340 B4R0.1 C[C@H](CN)S 1P028MOY [1,0,0,0,0,0|1,1,0]=3 341 B4R0.1 C[C@H](CO)Cl 1P00BXSZ [1,0,0,0,0,0|1,0,0]=2 342 B4R0.1 C[C@H](CO)F 1P004OGA [1,0,0,0,0,0|1,0,0]=2 343 B4R0.1 C[C@H](CO)N 1P00355B [1,0,0,0,0,0|1,0,0]=2 344 B4R0.1 C[C@H](CO)S 1P02820Z [1,0,0,0,0,0|0,1,0]=2 345 B4R0.1 C[C@H](CS)N 1P01DVGI [1,0,0,0,0,0|1,1,0]=3 346 B4R0.1 C[C@H](CS)O 1P01BUO6 [1,0,0,0,0,0|0,1,0]=2 347 B4R0.1 C\C(=N/O)\N 1P01FT21 [1,0,0,0,0,0|2,0,1]=4 348 B4R0.1 C\C(=N\O)\N 1P007QF8 [1,0,0,0,0,0|2,0,1]=4 349 B4R0.1 ClCC(C)C 1P0036A5 [1,0,0,0,0,0|2,0,0]=3 350 B4R0.1 ClCC(Cl)C 1P003DUW [1,0,0,0,0,0|2,0,0]=3 351 B4R0.1 ClC[SiH](C)C 1P00C86A [1,0,0,0,0,0|2,1,0]=4 352 B4R0.1 ICC(C)C 1P003RJE [1,0,0,0,0,0|2,0,0]=3 353 B4R0.1 ICC(F)F 1P00EBJL [1,0,0,0,0,0|3,0,0]=4 354 B4R0.1 NC(=N)CO 1P003A09 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.1 NC(=N)CO 1P00DJH7 [1,0,0,0,0,0|2,0,1]=4 356 B4R0.1 NC(=O)CO 1P003HVT [1,0,0,0,0,0|1,0,2]=4 357 B4R0.1 NC(=S)CO 1P019U8H [1,0,0,0,0,0|1,1,1]=4 358 B4R0.1 NCC(=O)O 1P0035FO [1,0,0,0,0,0|1,0,2]=4 359 B4R0.1 NCC(=O)O 1P00392S [1,0,0,0,0,0|1,0,2]=4 360 B4R0.1 NCC(=O)O 1P003GZQ [1,0,0,0,0,0|1,0,2]=4 361 B4R0.1 NCC(=O)O 1P003R91 [1,0,0,0,0,0|1,0,2]=4 362 B4R0.1 NCC(Br)Br 1P027VS0 [1,0,0,0,0,0|3,0,0]=4 363 B4R0.1 NCC(Br)F 1P027W07 [1,0,0,0,0,0|3,0,0]=4 364 B4R0.1 NCC(C)C 1P003RJP [1,0,0,0,0,0|2,0,0]=3 365 B4R0.1 NCC(C)C 1P003RJQ [1,0,0,0,0,0|2,0,0]=3 366 B4R0.1 NCC(C)C 1P00C4UX [1,0,0,0,0,0|2,0,0]=3 367 B4R0.1 NCC(C)C 1P00ICXR [1,0,0,0,0,0|2,0,0]=3 368 B4R0.1 NCC(Cl)Cl 1P01BBHV [1,0,0,0,0,0|3,0,0]=4 369 B4R0.1 NCC(Cl)F 1P0291M5 [1,0,0,0,0,0|3,0,0]=4 370 B4R0.1 NCC(F)F 1P008M4M [1,0,0,0,0,0|3,0,0]=4 371 B4R0.1 NCC(N)C 1P003318 [1,0,0,0,0,0|2,0,0]=3 372 B4R0.1 NC[C@@H](N)C 1P002BGH [1,0,0,0,0,0|2,0,0]=3 373 B4R0.1 NC[C@H](N)C 1P002BHK [1,0,0,0,0,0|2,0,0]=3 374 B4R0.1 NNC(C)C 1P0035IX [1,0,0,0,0,0|3,0,0]=4 375 B4R0.1 NOC(C)C 1P00396P [1,0,0,0,0,0|3,0,0]=4 376 B4R0.1 N[13CH2]C(=O)O 1P00C26O [1,0,0,0,0,0|1,0,2]=4 377 B4R0.1 O=CC(C)C 1P0035IE [1,0,0,0,0,0|1,0,2]=4 378 B4R0.1 OC(=O)CBr 1P003511 [1,0,0,0,0,0|1,0,2]=4 379 B4R0.1 OC(=O)CCl 1P003B9S [1,0,0,0,0,0|1,0,2]=4 380 B4R0.1 OC(=O)CI 1P003RH9 [1,0,0,0,0,0|1,0,2]=4 381 B4R0.1 OC(=O)CS 1P0039SY [1,0,0,0,0,0|0,1,2]=4 382 B4R0.1 OC(=O)CS 1P003P58 [1,0,0,0,0,0|0,1,2]=4 383 B4R0.1 OCC(=C)Br 1P0032Q5 [1,0,0,0,0,0|1,0,2]=4 384 B4R0.1 OCC(=C)Cl 1P003HBH [1,0,0,0,0,0|1,0,2]=4 385 B4R0.1 OCC(=C)F 1P00EW6X [1,0,0,0,0,0|1,0,2]=4 386 B4R0.1 OCC(=C)I 1P004YYW [1,0,0,0,0,0|1,0,2]=4 387 B4R0.1 OCC(=O)O 1P002RQ6 [1,0,0,0,0,0|0,0,2]=3 388 B4R0.1 OCC(=O)O 1P005YTG [1,0,0,0,0,0|0,0,2]=3 389 B4R0.1 OCC(=O)O 1P00BZ1F [1,0,0,0,0,0|0,0,2]=3 390 B4R0.1 OCC(=O)[O-] 1P002SYD [1,0,0,0,0,0|0,0,3]=4 391 B4R0.1 OCC(Br)Br 1P008JTC [1,0,0,0,0,0|2,0,0]=3 392 B4R0.1 OCC(Br)F 1P0037N0 [1,0,0,0,0,0|2,0,0]=3 393 B4R0.1 OCC(C)C 1P0035IA [1,0,0,0,0,0|1,0,0]=2 394 B4R0.1 OCC(Cl)Cl 1P003FR9 [1,0,0,0,0,0|2,0,0]=3 395 B4R0.1 OCC(Cl)F 1P001AAA [1,0,0,0,0,0|2,0,0]=3 396 B4R0.1 OCC(F)F 1P0033DK [1,0,0,0,0,0|2,0,0]=3 397 B4R0.1 OCC(O)C 1P00331M [1,0,0,0,0,0|0,0,0]=1 398 B4R0.1 OCC(O)C 1P006EY7 [1,0,0,0,0,0|0,0,0]=1 399 B4R0.1 OCC(O)C 1P00GT0R [1,0,0,0,0,0|0,0,0]=1 400 B4R0.1 OC[C@@H](O)C 1P0032WJ [1,0,0,0,0,0|0,0,0]=1 401 B4R0.1 OC[C@H](O)C 1P0032U3 [1,0,0,0,0,0|0,0,0]=1 402 B4R0.1 ON=C(C)C 1P000WZ8 [1,0,0,0,0,0|2,0,1]=4 403 B4R0.1 ONC(C)C 1P00DES9 [1,0,0,0,0,0|2,0,0]=3 404 B4R0.1 ONC(C)C 1P00DF6Q [1,0,0,0,0,0|2,0,0]=3 405 B4R0.1 PCC(C)C 1P0074H8 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.1 SCC(=O)O 1P000KEI [1,0,0,0,0,0|0,1,2]=4 407 B4R0.1 SCC(=O)O 1P000R53 [1,0,0,0,0,0|0,1,2]=4 408 B4R0.1 SCC(C)C 1P003RJW [1,0,0,0,0,0|1,1,0]=3 409 B4R0.1 SCC(F)F 1P0240LA [1,0,0,0,0,0|2,1,0]=4 410 B4R0.1 [15NH2]CC(=O)O 1P00FCSE [1,0,0,0,0,0|1,0,2]=4 411 B4R0.1 [15NH2][13CH2][13C](=O)O 1P00C26A [1,0,0,0,0,0|1,0,2]=4 412 B4R0.1 [O-]C(=O)CO 1P00BC47 [1,0,0,0,0,0|0,0,3]=4 413 B4R0.1 [O-]CC(C)C 1P003V60 [1,0,0,0,0,0|1,0,1]=3 414 B4R0.1 [O-]CS(=O)O 1P005AEE [1,0,0,0,0,0|1,0,2]=4 415 B4R0.1 [O-]S(=O)CO 1P00362A [1,0,0,0,0,0|1,0,2]=4 416 B4R0.1 [O-]S(=O)CO 1P00E91X [1,0,0,0,0,0|1,0,2]=4 417 B4R0.2 *CCN* 1P007MV6 [1,0,0,0,0,0|3,0,0]=4 418 B4R0.2 BrCCC#C 1P0036B7 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.2 BrCCC#N 1P003JLS [1,0,0,0,0,0|2,0,1]=4 420 B4R0.2 BrCCC=C 1P0036EE [1,0,0,0,0,0|2,0,1]=4 421 B4R0.2 BrCCCBr 1P003328 [1,0,0,0,0,0|2,0,0]=3 422 B4R0.2 BrCCCI 1P00BE4O [1,0,0,0,0,0|2,0,0]=3 423 B4R0.2 BrCOCBr 1P00DPL3 [1,0,0,0,0,0|3,0,0]=4 424 B4R0.2 CC#CCO 1P003HAK [1,0,0,0,0,0|1,0,2]=4 425 B4R0.2 CCCC#N 1P007SXW [1,0,0,0,0,0|2,0,1]=4 426 B4R0.2 CCCC=O 1P000KEO [1,0,0,0,0,0|1,0,2]=4 427 B4R0.2 CCCCBr 1P00351A [1,0,0,0,0,0|2,0,0]=3 428 B4R0.2 CCCCCl 1P00337J [1,0,0,0,0,0|2,0,0]=3 429 B4R0.2 CCCCI 1P003EWE [1,0,0,0,0,0|2,0,0]=3 430 B4R0.2 CCCCN 1P001OKC [1,0,0,0,0,0|2,0,0]=3 431 B4R0.2 CCCCN 1P0035TX [1,0,0,0,0,0|2,0,0]=3 432 B4R0.2 CCCCN 1P0039SL [1,0,0,0,0,0|2,0,0]=3 433 B4R0.2 CCCCN 1P003EEJ [1,0,0,0,0,0|2,0,0]=3 434 B4R0.2 CCCCO 1P0031YY [1,0,0,0,0,0|1,0,0]=2 435 B4R0.2 CCCCO 1P003373 [1,0,0,0,0,0|1,0,0]=2 436 B4R0.2 CCCCO 1P003ODP [1,0,0,0,0,0|1,0,0]=2 437 B4R0.2 CCCCO 1P00DALZ [1,0,0,0,0,0|1,0,0]=2 438 B4R0.2 CCCCS 1P003EMK [1,0,0,0,0,0|1,1,0]=3 439 B4R0.2 CCCNC 1P0035V8 [1,0,0,0,0,0|3,0,0]=4 440 B4R0.2 CCCNC 1P01A86A [1,0,0,0,0,0|3,0,0]=4 441 B4R0.2 CCCNN 1P003A6G [1,0,0,0,0,0|3,0,0]=4 442 B4R0.2 CCCNN 1P00ICJV [1,0,0,0,0,0|3,0,0]=4 443 B4R0.2 CCCNO 1P004MB5 [1,0,0,0,0,0|2,0,0]=3 444 B4R0.2 CCCON 1P00EAUE [1,0,0,0,0,0|3,0,0]=4 445 B4R0.2 CCC[Mg]Br 1P003UGU [1,0,0,0,0,0|3,0,0]=4 446 B4R0.2 CCNCC 1P002JES [1,0,0,0,0,0|3,0,0]=4 447 B4R0.2 CCNCC 1P0038PN [1,0,0,0,0,0|3,0,0]=4 448 B4R0.2 CCNCC 1P003PYC [1,0,0,0,0,0|3,0,0]=4 449 B4R0.2 CCOCBr 1P019UI5 [1,0,0,0,0,0|3,0,0]=4 450 B4R0.2 CCOCC 1P0035KW [1,0,0,0,0,0|3,0,0]=4 451 B4R0.2 CCOCC 1P0036C5 [1,0,0,0,0,0|3,0,0]=4 452 B4R0.2 CCOCCl 1P003PAS [1,0,0,0,0,0|3,0,0]=4 453 B4R0.2 CCSCC 1P003DQ3 [1,0,0,0,0,0|3,0,0]=4 454 B4R0.2 CCSCC 1P003PGO [1,0,0,0,0,0|3,0,0]=4 455 B4R0.2 CCSCCl 1P007UQY [1,0,0,0,0,0|3,0,0]=4 456 B4R0.2 CC[NH2+]CC 1P002BW6 [1,0,0,0,0,0|3,0,0]=4 457 B4R0.2 CNCCBr 1P00C7EM [1,0,0,0,0,0|3,0,0]=4 458 B4R0.2 CNCCCl 1P00DBZD [1,0,0,0,0,0|3,0,0]=4 459 B4R0.2 CNCCF 1P003B2E [1,0,0,0,0,0|3,0,0]=4 460 B4R0.2 CNCCI 1P00I42L [1,0,0,0,0,0|3,0,0]=4 461 B4R0.2 CNCCN 1P0035V2 [1,0,0,0,0,0|3,0,0]=4 462 B4R0.2 CNCCO 1P0033CC [1,0,0,0,0,0|2,0,0]=3 463 B4R0.2 CNCCO 1P0037NV [1,0,0,0,0,0|2,0,0]=3 464 B4R0.2 CNCCS 1P01B8TO [1,0,0,0,0,0|2,1,0]=4 465 B4R0.2 COCCBr 1P003365 [1,0,0,0,0,0|3,0,0]=4 466 B4R0.2 COCCCl 1P003HJ2 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.2 COCCI 1P00396M [1,0,0,0,0,0|3,0,0]=4 468 B4R0.2 COCCN 1P0033UD [1,0,0,0,0,0|3,0,0]=4 469 B4R0.2 COCCO 1P0033UA [1,0,0,0,0,0|2,0,0]=3 470 B4R0.2 COCCS 1P0085Z0 [1,0,0,0,0,0|2,1,0]=4 471 B4R0.2 CSCCBr 1P0036CM [1,0,0,0,0,0|3,0,0]=4 472 B4R0.2 CSCCCl 1P0033PZ [1,0,0,0,0,0|3,0,0]=4 473 B4R0.2 CSCCN 1P003FKA [1,0,0,0,0,0|3,0,0]=4 474 B4R0.2 CSCCN 1P005LMK [1,0,0,0,0,0|3,0,0]=4 475 B4R0.2 CSCCO 1P0032PC [1,0,0,0,0,0|2,0,0]=3 476 B4R0.2 CSCCS 1P0285H6 [1,0,0,0,0,0|2,1,0]=4 477 B4R0.2 C\C=C\CO 1P00DA5X [1,0,0,0,0,0|1,0,2]=4 478 B4R0.2 ClCCC#C 1P00DEIQ [1,0,0,0,0,0|2,0,1]=4 479 B4R0.2 ClCCC#N 1P00DE9H [1,0,0,0,0,0|2,0,1]=4 480 B4R0.2 ClCCC=C 1P0061AK [1,0,0,0,0,0|2,0,1]=4 481 B4R0.2 ClCCCBr 1P003EKR [1,0,0,0,0,0|2,0,0]=3 482 B4R0.2 ClCCCCl 1P003E04 [1,0,0,0,0,0|2,0,0]=3 483 B4R0.2 ClCCCI 1P00337E [1,0,0,0,0,0|2,0,0]=3 484 B4R0.2 ClCSCCl 1P003OQX [1,0,0,0,0,0|3,0,0]=4 485 B4R0.2 FCCC#N 1P01I6ZK [1,0,0,0,0,0|2,0,1]=4 486 B4R0.2 FCCCBr 1P0038GW [1,0,0,0,0,0|2,0,0]=3 487 B4R0.2 FCCCCl 1P00DK1P [1,0,0,0,0,0|2,0,0]=3 488 B4R0.2 FCCCI 1P003385 [1,0,0,0,0,0|2,0,0]=3 489 B4R0.2 FCCNN 1P01EKF1 [1,0,0,0,0,0|3,0,0]=4 490 B4R0.2 ICCC#C 1P003M0R [1,0,0,0,0,0|2,0,1]=4 491 B4R0.2 ICCC#N 1P01B2X6 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.2 ICCC=C 1P005930 [1,0,0,0,0,0|2,0,1]=4 493 B4R0.2 ICCCI 1P00332F [1,0,0,0,0,0|2,0,0]=3 494 B4R0.2 NCCC#C 1P0036RD [1,0,0,0,0,0|2,0,1]=4 495 B4R0.2 NCCC#C 1P0070DF [1,0,0,0,0,0|2,0,1]=4 496 B4R0.2 NCCC#N 1P001NGN [1,0,0,0,0,0|2,0,1]=4 497 B4R0.2 NCCC#N 1P006TMA [1,0,0,0,0,0|2,0,1]=4 498 B4R0.2 NCCC=C 1P0026RD [1,0,0,0,0,0|2,0,1]=4 499 B4R0.2 NCCC=C 1P0240HB [1,0,0,0,0,0|2,0,1]=4 500 B4R0.2 NCCCBr 1P00343Q [1,0,0,0,0,0|2,0,0]=3 501 B4R0.2 NCCCCl 1P003457 [1,0,0,0,0,0|2,0,0]=3 502 B4R0.2 NCCCF 1P00EB5H [1,0,0,0,0,0|2,0,0]=3 503 B4R0.2 NCCCI 1P01ADNI [1,0,0,0,0,0|2,0,0]=3 504 B4R0.2 NCCCN 1P003325 [1,0,0,0,0,0|2,0,0]=3 505 B4R0.2 NCCCN 1P003DZD [1,0,0,0,0,0|2,0,0]=3 506 B4R0.2 NCCCN 1P008YHO [1,0,0,0,0,0|2,0,0]=3 507 B4R0.2 NCCCN 1P00B70F [1,0,0,0,0,0|2,0,0]=3 508 B4R0.2 NCCCO 1P001OVJ [1,0,0,0,0,0|1,0,0]=2 509 B4R0.2 NCCCO 1P003JAK [1,0,0,0,0,0|1,0,0]=2 510 B4R0.2 NCCCO 1P00CAH6 [1,0,0,0,0,0|1,0,0]=2 511 B4R0.2 NCCCS 1P003424 [1,0,0,0,0,0|1,1,0]=3 512 B4R0.2 NCCNC 1P003TOD [1,0,0,0,0,0|3,0,0]=4 513 B4R0.2 NCCNO 1P028ZWH [1,0,0,0,0,0|2,0,0]=3 514 B4R0.2 NCCON 1P00C6VY [1,0,0,0,0,0|3,0,0]=4 515 B4R0.2 NNCCO 1P0033SR [1,0,0,0,0,0|2,0,0]=3 516 B4R0.2 NOCCBr 1P01GYOO [1,0,0,0,0,0|3,0,0]=4 517 B4R0.2 NOCCF 1P01DXD8 [1,0,0,0,0,0|3,0,0]=4 518 B4R0.2 NOCCO 1P003H0F [1,0,0,0,0,0|2,0,0]=3 519 B4R0.2 OCC#CBr 1P002AXO [1,0,0,0,0,0|1,0,2]=4 520 B4R0.2 OCC#CI 1P00AN9M [1,0,0,0,0,0|1,0,2]=4 521 B4R0.2 OCC=C=C 1P002IEG [1,0,0,0,0,0|1,0,2]=4 522 B4R0.2 OCC=CCl 1P002Z7O [1,0,0,0,0,0|1,0,2]=4 523 B4R0.2 OCCC#C 1P003JME [1,0,0,0,0,0|1,0,1]=3 524 B4R0.2 OCCC#N 1P00346X [1,0,0,0,0,0|1,0,1]=3 525 B4R0.2 OCCC=C 1P00343U [1,0,0,0,0,0|1,0,1]=3 526 B4R0.2 OCCC=O 1P0038NL [1,0,0,0,0,0|0,0,2]=3 527 B4R0.2 OCCCBr 1P003681 [1,0,0,0,0,0|1,0,0]=2 528 B4R0.2 OCCCCl 1P0037E9 [1,0,0,0,0,0|1,0,0]=2 529 B4R0.2 OCCCF 1P00DE8U [1,0,0,0,0,0|1,0,0]=2 530 B4R0.2 OCCCI 1P003473 [1,0,0,0,0,0|1,0,0]=2 531 B4R0.2 OCCCO 1P003E23 [1,0,0,0,0,0|0,0,0]=1 532 B4R0.2 OCCCO 1P01HT14 [1,0,0,0,0,0|0,0,0]=1 533 B4R0.2 OCCCS 1P002B42 [1,0,0,0,0,0|0,1,0]=2 534 B4R0.2 OC\C=C\Br 1P007A84 [1,0,0,0,0,0|1,0,2]=4 535 B4R0.2 ONCC#C 1P02850E [1,0,0,0,0,0|2,0,1]=4 536 B4R0.2 ONCC=C 1P0281KE [1,0,0,0,0,0|2,0,1]=4 537 B4R0.2 O\C=C/CCl 1P002QHU [1,0,0,0,0,0|1,0,2]=4 538 B4R0.2 SCCC#N 1P0001EP [1,0,0,0,0,0|1,1,1]=4 539 B4R0.2 SCCCBr 1P005JAX [1,0,0,0,0,0|1,1,0]=3 540 B4R0.2 SCCCS 1P00332G [1,0,0,0,0,0|0,2,0]=3 541 B4R0.2 [2H]OCCC 1P024P0D [1,0,0,0,0,0|3,0,0]=4 542 B4R0.2 [O-]CCCC 1P007TPO [1,0,0,0,0,0|1,0,1]=3 543 B4R0.2 [O-]CCCC 1P00BEMT [1,0,0,0,0,0|1,0,1]=3 544 B6R0.1 BrCCC(CBr)Br 1P007ARL [0,1,0,0,0,0|3,0,0]=4 545 B6R0.1 BrCCC(CBr)F 1P01SYS2 [0,1,0,0,0,0|3,0,0]=4 546 B6R0.1 BrCCC(CBr)O 1P003E4L [0,1,0,0,0,0|2,0,0]=3 547 B6R0.1 BrCCC(CC)C 1P00DA2E [0,1,0,0,0,0|3,0,0]=4 548 B6R0.1 BrCCC(CC)O 1P028LP8 [0,1,0,0,0,0|2,0,0]=3 549 B6R0.1 BrCC[C@H](CC)N 1P028BDQ [0,1,0,0,0,0|3,0,0]=4 550 B6R0.1 C=CCC(C=C)O 1P003340 [0,1,0,0,0,0|2,0,1]=4 551 B6R0.1 CC(C#N)COC 1P00I6EL [0,1,0,0,0,0|2,0,1]=4 552 B6R0.1 CC(C=C=C)CO 1P028UHN [0,1,0,0,0,0|2,0,1]=4 553 B6R0.1 CC(CBr)COC 1P01BL3B [0,1,0,0,0,0|2,0,0]=3 554 B6R0.1 CC(CC)CC#N 1P002LKL [0,1,0,0,0,0|3,0,0]=4 555 B6R0.1 CC(CC)CC=O 1P001RBW [0,1,0,0,0,0|2,0,1]=4 556 B6R0.1 CC(CC)CON 1P01ALR3 [0,1,0,0,0,0|2,0,0]=3 557 B6R0.1 CC(CCl)CC=C 1P01BL6V [0,1,0,0,0,0|3,0,0]=4 558 B6R0.1 CC(CN)CNC 1P009GBP [0,1,0,0,0,0|3,0,0]=4 559 B6R0.1 CC(CN)COC 1P019YCQ [0,1,0,0,0,0|2,0,0]=3 560 B6R0.1 CC(CN)COC 1P01AG3X [0,1,0,0,0,0|2,0,0]=3 561 B6R0.1 CC(CN)CSC 1P01AI97 [0,1,0,0,0,0|2,1,0]=4 562 B6R0.1 CC(CO)CNC 1P019SBY [0,1,0,0,0,0|2,0,0]=3 563 B6R0.1 CC(CO)CNN 1P028D07 [0,1,0,0,0,0|2,0,0]=3 564 B6R0.1 CC(CO)COC 1P01ACWE [0,1,0,0,0,0|1,0,0]=2 565 B6R0.1 CC(CO)CSC 1P01AUUE [0,1,0,0,0,0|1,1,0]=3 566 B6R0.1 CC(CS)COC 1P028GFT [0,1,0,0,0,0|1,1,0]=3 567 B6R0.1 CC(NC)CCO 1P007MHQ [0,1,0,0,0,0|3,0,0]=4 568 B6R0.1 CC(NN)COC 1P01A5EG [0,1,0,0,0,0|3,0,0]=4 569 B6R0.1 CC(OC)CCO 1P002R7Z [0,1,0,0,0,0|3,0,0]=4 570 B6R0.1 CC(SC)CCO 1P00ABIB [0,1,0,0,0,0|3,0,0]=4 571 B6R0.1 CCC(CC#C)Br 1P028Y5P [0,1,0,0,0,0|3,0,0]=4 572 B6R0.1 CCC(CC#C)N 1P01ALFD [0,1,0,0,0,0|3,0,0]=4 573 B6R0.1 CCC(CC#C)N 1P0293WI [0,1,0,0,0,0|3,0,0]=4 574 B6R0.1 CCC(CC#N)N 1P00GAZE [0,1,0,0,0,0|3,0,0]=4 575 B6R0.1 CCC(CC#N)O 1P001294 [0,1,0,0,0,0|2,0,0]=3 576 B6R0.1 CCC(CC=C)N 1P01B82X [0,1,0,0,0,0|3,0,0]=4 577 B6R0.1 CCC(CC=C)O 1P00617Z [0,1,0,0,0,0|2,0,0]=3 578 B6R0.1 CCC(CNN)O 1P0072DM [0,1,0,0,0,0|2,0,0]=3 579 B6R0.1 CCC(CNN)O 1P01C51E [0,1,0,0,0,0|2,0,0]=3 580 B6R0.1 CCC(CON)O 1P028X3A [0,1,0,0,0,0|1,0,0]=2 581 B6R0.1 CCCC(=O)CO 1P00EZ0V [0,1,0,0,0,0|1,0,2]=4 582 B6R0.1 CCCC(C#N)O 1P00EDK5 [0,1,0,0,0,0|2,0,1]=4 583 B6R0.1 CCCC(C=C)O 1P0035G8 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.1 CCCC(CC)Br 1P003JL2 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.1 CCCC(CC)C 1P003K83 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.1 CCCC(CC)Cl 1P002NSV [0,1,0,0,0,0|3,0,0]=4 587 B6R0.1 CCCC(CC)N 1P00G5JZ [0,1,0,0,0,0|3,0,0]=4 588 B6R0.1 CCCC(CC)O 1P003JZ9 [0,1,0,0,0,0|2,0,0]=3 589 B6R0.1 CCCC(CC)S 1P001UGW [0,1,0,0,0,0|2,1,0]=4 590 B6R0.1 CCCC(CCl)C 1P000YIZ [0,1,0,0,0,0|3,0,0]=4 591 B6R0.1 CCCC(CCl)Cl 1P001XTQ [0,1,0,0,0,0|3,0,0]=4 592 B6R0.1 CCCC(CCl)O 1P01A0X7 [0,1,0,0,0,0|2,0,0]=3 593 B6R0.1 CCCC(CN)C 1P028Y09 [0,1,0,0,0,0|3,0,0]=4 594 B6R0.1 CCCC(CN)N 1P019XKI [0,1,0,0,0,0|3,0,0]=4 595 B6R0.1 CCCC(CO)C 1P003I22 [0,1,0,0,0,0|2,0,0]=3 596 B6R0.1 CCCC(CO)Cl 1P01ANMN [0,1,0,0,0,0|2,0,0]=3 597 B6R0.1 CCCC(CO)N 1P001US0 [0,1,0,0,0,0|2,0,0]=3 598 B6R0.1 CCCC(CO)O 1P00IA05 [0,1,0,0,0,0|1,0,0]=2 599 B6R0.1 CCCC(CO)S 1P028AGF [0,1,0,0,0,0|1,1,0]=3 600 B6R0.1 CCC[C@@H](CC)O 1P007MBP [0,1,0,0,0,0|2,0,0]=3 601 B6R0.1 CCC[C@@H](CO)N 1P006XCX [0,1,0,0,0,0|2,0,0]=3 602 B6R0.1 CCC[C@@H](CO)N 1P00IMEX [0,1,0,0,0,0|2,0,0]=3 603 B6R0.1 CCC[C@@H](CO)O 1P002XUM [0,1,0,0,0,0|1,0,0]=2 604 B6R0.1 CCC[C@H](CF)N 1P01DFM7 [0,1,0,0,0,0|3,0,0]=4 605 B6R0.1 CCC[C@H](CO)N 1P003CKG [0,1,0,0,0,0|2,0,0]=3 606 B6R0.1 CCC[C@H](CO)O 1P00845B [0,1,0,0,0,0|1,0,0]=2 607 B6R0.1 CCNC(=O)CO 1P00FI4I [0,1,0,0,0,0|1,0,2]=4 608 B6R0.1 CCNC(CC)C 1P00C2HF [0,1,0,0,0,0|3,0,0]=4 609 B6R0.1 CCNC(CC)C 1P00J252 [0,1,0,0,0,0|3,0,0]=4 610 B6R0.1 CCNC(CO)C 1P00C2H6 [0,1,0,0,0,0|2,0,0]=3 611 B6R0.1 CCN[C@H](CO)C 1P01AMLY [0,1,0,0,0,0|2,0,0]=3 612 B6R0.1 CCOC(=O)CO 1P0035CV [0,1,0,0,0,0|1,0,2]=4 613 B6R0.1 CCOC(CC)C 1P003UOV [0,1,0,0,0,0|3,0,0]=4 614 B6R0.1 CCOC(CN)C 1P004FBX [0,1,0,0,0,0|3,0,0]=4 615 B6R0.1 CCOC(CN)C 1P00910W [0,1,0,0,0,0|3,0,0]=4 616 B6R0.1 CCOC(CO)C 1P002FCO [0,1,0,0,0,0|2,0,0]=3 617 B6R0.1 CC[C@H](CC#N)O 1P002C38 [0,1,0,0,0,0|2,0,0]=3 618 B6R0.1 CNCC(CC)C 1P01AHGF [0,1,0,0,0,0|3,0,0]=4 619 B6R0.1 CNCC(CC)O 1P024V99 [0,1,0,0,0,0|2,0,0]=3 620 B6R0.1 CNCC(CF)O 1P01E0KU [0,1,0,0,0,0|2,0,0]=3 621 B6R0.1 CNCC(CN)O 1P01BCUO [0,1,0,0,0,0|2,0,0]=3 622 B6R0.1 CNCC(CO)O 1P003K75 [0,1,0,0,0,0|1,0,0]=2 623 B6R0.1 CNC[C@@H](CC)O 1P028LOU [0,1,0,0,0,0|2,0,0]=3 624 B6R0.1 CNC[C@H](CC)O 1P0289AA [0,1,0,0,0,0|2,0,0]=3 625 B6R0.1 CNC[C@H](CO)O 1P0251OY [0,1,0,0,0,0|1,0,0]=2 626 B6R0.1 COCC(=N)NO 1P005SV2 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.1 COCC(=O)CC 1P01AK1L [0,1,0,0,0,0|1,0,2]=4 628 B6R0.1 COCC(C#C)N 1P01AD1N [0,1,0,0,0,0|2,0,1]=4 629 B6R0.1 COCC(C#N)Cl 1P01A6AT [0,1,0,0,0,0|2,0,1]=4 630 B6R0.1 COCC(C#N)N 1P01A572 [0,1,0,0,0,0|2,0,1]=4 631 B6R0.1 COCC(C#N)O 1P01B7WI [0,1,0,0,0,0|1,0,1]=3 632 B6R0.1 COCC(C=C)N 1P01AD8K [0,1,0,0,0,0|2,0,1]=4 633 B6R0.1 COCC(CBr)O 1P028WWM [0,1,0,0,0,0|1,0,0]=2 634 B6R0.1 COCC(CC)Br 1P01DWQ5 [0,1,0,0,0,0|2,0,0]=3 635 B6R0.1 COCC(CC)N 1P003GSV [0,1,0,0,0,0|2,0,0]=3 636 B6R0.1 COCC(CC)O 1P003EX7 [0,1,0,0,0,0|1,0,0]=2 637 B6R0.1 COCC(CC)S 1P0291KA [0,1,0,0,0,0|1,1,0]=3 638 B6R0.1 COCC(CCl)O 1P003EOM [0,1,0,0,0,0|1,0,0]=2 639 B6R0.1 COCC(CF)O 1P00CALG [0,1,0,0,0,0|1,0,0]=2 640 B6R0.1 COCC(CN)F 1P01APJ4 [0,1,0,0,0,0|2,0,0]=3 641 B6R0.1 COCC(CN)N 1P00067R [0,1,0,0,0,0|2,0,0]=3 642 B6R0.1 COCC(CN)O 1P00GW2U [0,1,0,0,0,0|1,0,0]=2 643 B6R0.1 COCC(CO)N 1P00BCT2 [0,1,0,0,0,0|1,0,0]=2 644 B6R0.1 COCC(CO)N 1P01BH5E [0,1,0,0,0,0|1,0,0]=2 645 B6R0.1 COCC(CO)O 1P003K35 [0,1,0,0,0,0|0,0,0]=1 646 B6R0.1 COC[C@@H](CC)N 1P00FGX9 [0,1,0,0,0,0|2,0,0]=3 647 B6R0.1 COC[C@@H](CF)N 1P028KEA [0,1,0,0,0,0|2,0,0]=3 648 B6R0.1 COC[C@@H](CF)O 1P028KDZ [0,1,0,0,0,0|1,0,0]=2 649 B6R0.1 COC[C@@H](CN)O 1P01B9RG [0,1,0,0,0,0|1,0,0]=2 650 B6R0.1 COC[C@@H](CO)O 1P0290HJ [0,1,0,0,0,0|0,0,0]=1 651 B6R0.1 COC[C@@H](NC)C 1P028QST [0,1,0,0,0,0|3,0,0]=4 652 B6R0.1 COC[C@H](CC)N 1P00FGXE [0,1,0,0,0,0|2,0,0]=3 653 B6R0.1 COC[C@H](CF)N 1P028LTW [0,1,0,0,0,0|2,0,0]=3 654 B6R0.1 COC[C@H](CF)O 1P028JQY [0,1,0,0,0,0|1,0,0]=2 655 B6R0.1 COC[C@H](CN)O 1P01B9RH [0,1,0,0,0,0|1,0,0]=2 656 B6R0.1 COC[C@H](CN)O 1P01EMR9 [0,1,0,0,0,0|1,0,0]=2 657 B6R0.1 COC[C@H](CO)N 1P001G1J [0,1,0,0,0,0|1,0,0]=2 658 B6R0.1 COC[C@H](CO)O 1P005I6I [0,1,0,0,0,0|0,0,0]=1 659 B6R0.1 COC\C(=N\O)\N 1P00J307 [0,1,0,0,0,0|2,0,1]=4 660 B6R0.1 CONC(CC)C 1P01A1JH [0,1,0,0,0,0|3,0,0]=4 661 B6R0.1 CSCC(CC)N 1P01A52Y [0,1,0,0,0,0|2,1,0]=4 662 B6R0.1 CSCC(CC)O 1P005GLR [0,1,0,0,0,0|1,1,0]=3 663 B6R0.1 CSCC(CO)O 1P00BGAN [0,1,0,0,0,0|0,1,0]=2 664 B6R0.1 CSCC(CO)S 1P028JTH [0,1,0,0,0,0|0,2,0]=3 665 B6R0.1 CSC[C@@H](CN)O 1P027X79 [0,1,0,0,0,0|1,1,0]=3 666 B6R0.1 CSC[C@@H](CO)N 1P028W67 [0,1,0,0,0,0|1,1,0]=3 667 B6R0.1 CSC[C@H](CN)O 1P0280WA [0,1,0,0,0,0|1,1,0]=3 668 B6R0.1 CSC[C@H](CO)N 1P004DS3 [0,1,0,0,0,0|1,1,0]=3 669 B6R0.1 C[C@@H](CO)CNC 1P027V9N [0,1,0,0,0,0|2,0,0]=3 670 B6R0.1 C[C@@H](NC)CCO 1P027OJ6 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.1 C[C@H](CO)CNC 1P02931Y [0,1,0,0,0,0|2,0,0]=3 672 B6R0.1 C[C@H](NC)CCO 1P027OLB [0,1,0,0,0,0|3,0,0]=4 673 B6R0.1 ClCCC(CC)C 1P01BL7F [0,1,0,0,0,0|3,0,0]=4 674 B6R0.1 ClCCC(CC)Cl 1P007JYP [0,1,0,0,0,0|3,0,0]=4 675 B6R0.1 ClCCC(CCl)O 1P003E4R [0,1,0,0,0,0|2,0,0]=3 676 B6R0.1 ClCCC(CO)C 1P027OYJ [0,1,0,0,0,0|2,0,0]=3 677 B6R0.1 FCCC(CO)N 1P01BDLW [0,1,0,0,0,0|2,0,0]=3 678 B6R0.1 FCC[C@@H](CO)O 1P028CF6 [0,1,0,0,0,0|1,0,0]=2 679 B6R0.1 FCC[C@H](CO)O 1P028BCV [0,1,0,0,0,0|1,0,0]=2 680 B6R0.1 NC(CO)CC#C 1P01BC92 [0,1,0,0,0,0|2,0,0]=3 681 B6R0.1 NC(CO)CC=C 1P00BJSZ [0,1,0,0,0,0|2,0,0]=3 682 B6R0.1 NC(CO)CC=C 1P01AC0Y [0,1,0,0,0,0|2,0,0]=3 683 B6R0.1 NCC(CC#C)O 1P01B51R [0,1,0,0,0,0|2,0,0]=3 684 B6R0.1 NCC(CC#C)O 1P01B51X [0,1,0,0,0,0|2,0,0]=3 685 B6R0.1 NCC(CC#N)O 1P028ERL [0,1,0,0,0,0|2,0,0]=3 686 B6R0.1 NCC(CC=C)O 1P00J3DJ [0,1,0,0,0,0|2,0,0]=3 687 B6R0.1 NCCC(=C)CO 1P01BKU7 [0,1,0,0,0,0|2,0,1]=4 688 B6R0.1 NCCC(=C)CO 1P028SA0 [0,1,0,0,0,0|2,0,1]=4 689 B6R0.1 NCCC(CC)C 1P01B5N1 [0,1,0,0,0,0|3,0,0]=4 690 B6R0.1 NCCC(CC)O 1P002XYG [0,1,0,0,0,0|2,0,0]=3 691 B6R0.1 NCCC(CCl)C 1P028C6J [0,1,0,0,0,0|3,0,0]=4 692 B6R0.1 NCCC(CN)F 1P028EPS [0,1,0,0,0,0|3,0,0]=4 693 B6R0.1 NCCC(CN)O 1P02010R [0,1,0,0,0,0|2,0,0]=3 694 B6R0.1 NCCC(CO)C 1P003L5C [0,1,0,0,0,0|2,0,0]=3 695 B6R0.1 NCCC(CO)C 1P028TNW [0,1,0,0,0,0|2,0,0]=3 696 B6R0.1 NCCC(CO)O 1P004KQO [0,1,0,0,0,0|1,0,0]=2 697 B6R0.1 NCCC(CO)O 1P008I9N [0,1,0,0,0,0|1,0,0]=2 698 B6R0.1 NCCC(CS)C 1P028UTC [0,1,0,0,0,0|2,1,0]=4 699 B6R0.1 NCC[C@@H](CN)F 1P028CUO [0,1,0,0,0,0|3,0,0]=4 700 B6R0.1 NCC[C@H](CO)C 1P003CQO [0,1,0,0,0,0|2,0,0]=3 701 B6R0.1 NCC[C@H](CO)O 1P01FJY8 [0,1,0,0,0,0|1,0,0]=2 702 B6R0.1 NC[C@@H](CC#C)O 1P01ALQF [0,1,0,0,0,0|2,0,0]=3 703 B6R0.1 NC[C@H](CC#C)O 1P01ALJ2 [0,1,0,0,0,0|2,0,0]=3 704 B6R0.1 NC[C@H](CC=C)O 1P00BHRB [0,1,0,0,0,0|2,0,0]=3 705 B6R0.1 N[C@@H](CO)CC=C 1P00IHR8 [0,1,0,0,0,0|2,0,0]=3 706 B6R0.1 N[C@@H](CO)CC=C 1P028ZL4 [0,1,0,0,0,0|2,0,0]=3 707 B6R0.1 N[C@H](CO)CC=C 1P00IHR7 [0,1,0,0,0,0|2,0,0]=3 708 B6R0.1 OC(C=C)CC#C 1P001PTV [0,1,0,0,0,0|2,0,1]=4 709 B6R0.1 OC(C=C)CC#N 1P00BOT3 [0,1,0,0,0,0|2,0,1]=4 710 B6R0.1 OC(C=C)CCO 1P01IK6E [0,1,0,0,0,0|1,0,1]=3 711 B6R0.1 OC(CCl)CC#N 1P008RHD [0,1,0,0,0,0|2,0,0]=3 712 B6R0.1 OC(CO)CC#N 1P028OR8 [0,1,0,0,0,0|1,0,0]=2 713 B6R0.1 OCC(CC=C)Br 1P02848A [0,1,0,0,0,0|2,0,0]=3 714 B6R0.1 OCC=C(CCl)C 1P01RSG6 [0,1,0,0,0,0|2,0,1]=4 715 B6R0.1 OCCC(=C)CC 1P007UQT [0,1,0,0,0,0|2,0,1]=4 716 B6R0.1 OCCC(CC)C 1P003K5F [0,1,0,0,0,0|2,0,0]=3 717 B6R0.1 OCCC(CC)N 1P01AKWW [0,1,0,0,0,0|2,0,0]=3 718 B6R0.1 OCCC(CC)N 1P01XD7X [0,1,0,0,0,0|2,0,0]=3 719 B6R0.1 OCCC(CC)O 1P00CZR5 [0,1,0,0,0,0|1,0,0]=2 720 B6R0.1 OCCC(CC)S 1P01FGKM [0,1,0,0,0,0|1,1,0]=3 721 B6R0.1 OCCC(CN)C 1P019T9G [0,1,0,0,0,0|2,0,0]=3 722 B6R0.1 OCCC(CN)N 1P01AL1F [0,1,0,0,0,0|2,0,0]=3 723 B6R0.1 OCCC(CO)C 1P002YPC [0,1,0,0,0,0|1,0,0]=2 724 B6R0.1 OCCC(CO)N 1P01B4Y6 [0,1,0,0,0,0|1,0,0]=2 725 B6R0.1 OCCC(CO)O 1P00319T [0,1,0,0,0,0|0,0,0]=1 726 B6R0.1 OCCN(CC)C 1P00BI0H [0,1,0,0,0,0|3,0,0]=4 727 B6R0.1 OCCN(CC)N 1P01C4O7 [0,1,0,0,0,0|3,0,0]=4 728 B6R0.1 OCC[C@@H](CC)N 1P028XN3 [0,1,0,0,0,0|2,0,0]=3 729 B6R0.1 OCC[C@@H](CCl)O 1P001AHD [0,1,0,0,0,0|1,0,0]=2 730 B6R0.1 OCC[C@@H](CN)O 1P028S0I [0,1,0,0,0,0|1,0,0]=2 731 B6R0.1 OCC[C@@H](CO)C 1P003CUE [0,1,0,0,0,0|1,0,0]=2 732 B6R0.1 OCC[C@@H](CO)F 1P0284NK [0,1,0,0,0,0|1,0,0]=2 733 B6R0.1 OCC[C@@H](CO)N 1P01BHZO [0,1,0,0,0,0|1,0,0]=2 734 B6R0.1 OCC[C@@H](CO)O 1P0032WY [0,1,0,0,0,0|0,0,0]=1 735 B6R0.1 OCC[C@H](CC)N 1P028ZSN [0,1,0,0,0,0|2,0,0]=3 736 B6R0.1 OCC[C@H](CN)N 1P01AMDG [0,1,0,0,0,0|2,0,0]=3 737 B6R0.1 OCC[C@H](CO)N 1P00IDL8 [0,1,0,0,0,0|1,0,0]=2 738 B6R0.1 OCC[C@H](CO)O 1P003CL8 [0,1,0,0,0,0|0,0,0]=1 739 B6R0.1 OCC\C(=N\O)\N 1P00DF0X [0,1,0,0,0,0|2,0,1]=4 740 B6R0.1 OCNC(=O)CCl 1P003TP1 [0,1,0,0,0,0|1,0,2]=4 741 B6R0.1 OC\C=C(/CC)\C 1P0031SF [0,1,0,0,0,0|2,0,1]=4 742 B6R0.1 OC\C=C(/CO)\I 1P028FF5 [0,1,0,0,0,0|1,0,1]=3 743 B6R0.1 OC\C=C(\CBr)/C 1P024KRA [0,1,0,0,0,0|2,0,1]=4 744 B6R0.1 OC\C=C(\CC)/C 1P0031SO [0,1,0,0,0,0|2,0,1]=4 745 B6R0.1 O[C@@H](CCl)CC#N 1P003BFF [0,1,0,0,0,0|2,0,0]=3 746 B6R0.1 O[C@@H](CO)CC#C 1P028UNP [0,1,0,0,0,0|1,0,0]=2 747 B6R0.1 O[C@H](CCl)CC#N 1P000Y1D [0,1,0,0,0,0|2,0,0]=3 748 B6R0.1 O[C@H](CO)CC#C 1P028JEU [0,1,0,0,0,0|1,0,0]=2 749 B6R0.1 SCC[C@@H](CS)N 1P00A0DB [0,1,0,0,0,0|1,2,0]=4 750 B6R0.1 [N-]=[N+]=N[C@H](CO)C 1P01DVQK [0,1,0,0,0,0|3,0,0]=4 751 B6R0.3 *C(C(=O)O)C* 1P00IGFS [0,1,0,0,0,0|2,0,1]=4 752 B6R0.3 BrCC(C(C)C)C 1P0030YC [0,1,0,0,0,0|3,0,0]=4 753 B6R0.3 BrCC(C(C)C)N 1P0286OE [0,1,0,0,0,0|3,0,0]=4 754 B6R0.3 BrCC(C(C)C)O 1P00AENS [0,1,0,0,0,0|2,0,0]=3 755 B6R0.3 BrCC(C(F)F)O 1P01DFJY [0,1,0,0,0,0|2,0,0]=3 756 B6R0.3 C=CC(C(C)C)O 1P00DBHA [0,1,0,0,0,0|2,0,1]=4 757 B6R0.3 CC(=C)C(CO)Br 1P01A2R0 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.3 CC(=C)[C@@H](CO)N 1P027TTE [0,1,0,0,0,0|2,0,1]=4 759 B6R0.3 CC(=O)C(CO)O 1P01DWYU [0,1,0,0,0,0|0,0,2]=3 760 B6R0.3 CC(C(=C)C)CO 1P01BSQ5 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.3 CC(C(=O)C)CO 1P003LYQ [0,1,0,0,0,0|1,0,2]=4 762 B6R0.3 CC(C(=O)O)CBr 1P00342O [0,1,0,0,0,0|2,0,1]=4 763 B6R0.3 CC(C(=O)O)CC 1P000BT8 [0,1,0,0,0,0|2,0,1]=4 764 B6R0.3 CC(C(=O)O)CF 1P01B7CT [0,1,0,0,0,0|2,0,1]=4 765 B6R0.3 CC(C(=O)O)CN 1P001J7M [0,1,0,0,0,0|2,0,1]=4 766 B6R0.3 CC(C(=O)O)CN 1P00381Y [0,1,0,0,0,0|2,0,1]=4 767 B6R0.3 CC(C(=O)O)CN 1P00C2SB [0,1,0,0,0,0|2,0,1]=4 768 B6R0.3 CC(C(=O)O)CS 1P002TTJ [0,1,0,0,0,0|1,1,1]=4 769 B6R0.3 CC(C(CN)O)F 1P028GWI [0,1,0,0,0,0|2,0,0]=3 770 B6R0.3 CC(C(CN)O)O 1P01BSAX [0,1,0,0,0,0|1,0,0]=2 771 B6R0.3 CC(C(CO)O)N 1P01B7GK [0,1,0,0,0,0|1,0,0]=2 772 B6R0.3 CC(C(N)C)CO 1P01AKSV [0,1,0,0,0,0|2,0,0]=3 773 B6R0.3 CC(C(O)C)CN 1P01BN8Y [0,1,0,0,0,0|2,0,0]=3 774 B6R0.3 CC(C(S)C)CO 1P00347B [0,1,0,0,0,0|1,1,0]=3 775 B6R0.3 CC(N(N)C)CO 1P01C4O6 [0,1,0,0,0,0|3,0,0]=4 776 B6R0.3 CCC(=O)C(O)C 1P00EZCO [0,1,0,0,0,0|1,0,2]=4 777 B6R0.3 CCC(B(O)O)C 1P003518 [0,1,0,0,0,0|3,0,0]=4 778 B6R0.3 CCC(C(=N)N)O 1P01BFO4 [0,1,0,0,0,0|2,0,1]=4 779 B6R0.3 CCC(C(=O)N)O 1P01A5K5 [0,1,0,0,0,0|1,0,2]=4 780 B6R0.3 CCC(C(=O)O)Br 1P003720 [0,1,0,0,0,0|2,0,1]=4 781 B6R0.3 CCC(C(=O)O)Cl 1P003HIN [0,1,0,0,0,0|2,0,1]=4 782 B6R0.3 CCC(C(=O)O)O 1P003Q9H [0,1,0,0,0,0|1,0,1]=3 783 B6R0.3 CCC(C(=O)O)S 1P002TTI [0,1,0,0,0,0|1,1,1]=4 784 B6R0.3 CCC(C(Br)C)C 1P01C37E [0,1,0,0,0,0|3,0,0]=4 785 B6R0.3 CCC(C(C)C)C 1P003G15 [0,1,0,0,0,0|3,0,0]=4 786 B6R0.3 CCC(C(C)C)Cl 1P028MON [0,1,0,0,0,0|3,0,0]=4 787 B6R0.3 CCC(C(C)C)N 1P019XTU [0,1,0,0,0,0|3,0,0]=4 788 B6R0.3 CCC(C(C)C)O 1P003I6Q [0,1,0,0,0,0|2,0,0]=3 789 B6R0.3 CCC(C(Cl)C)C 1P01DTIT [0,1,0,0,0,0|3,0,0]=4 790 B6R0.3 CCC(C(F)F)N 1P01ANFW [0,1,0,0,0,0|3,0,0]=4 791 B6R0.3 CCC(C(F)F)O 1P01PMD6 [0,1,0,0,0,0|2,0,0]=3 792 B6R0.3 CCC(C(N)C)C 1P007CWD [0,1,0,0,0,0|3,0,0]=4 793 B6R0.3 CCC(C(N)C)C 1P01AKCI [0,1,0,0,0,0|3,0,0]=4 794 B6R0.3 CCC(C(N)C)O 1P01A9UN [0,1,0,0,0,0|2,0,0]=3 795 B6R0.3 CCC(C(O)C)C 1P003K61 [0,1,0,0,0,0|2,0,0]=3 796 B6R0.3 CCC(C(O)C)N 1P01AVCT [0,1,0,0,0,0|2,0,0]=3 797 B6R0.3 CCC(C(O)C)O 1P00397E [0,1,0,0,0,0|1,0,0]=2 798 B6R0.3 CC[C@@H](C(=O)O)Br 1P00C7MK [0,1,0,0,0,0|2,0,1]=4 799 B6R0.3 CC[C@@H](C(=O)O)N 1P001LWU [0,1,0,0,0,0|2,0,1]=4 800 B6R0.3 CC[C@@H](C(=O)O)N 1P003REQ [0,1,0,0,0,0|2,0,1]=4 801 B6R0.3 CC[C@@H](C(=O)O)O 1P00382V [0,1,0,0,0,0|1,0,1]=3 802 B6R0.3 CC[C@@H](C(=O)O)S 1P00HI32 [0,1,0,0,0,0|1,1,1]=4 803 B6R0.3 CC[C@@H](C(=[Se])O)N 1P004JBG [0,1,0,0,0,0|2,0,1]=4 804 B6R0.3 CC[C@@H](C(C)C)N 1P01B2L1 [0,1,0,0,0,0|3,0,0]=4 805 B6R0.3 CC[C@@H](C(C)C)O 1P01DX2T [0,1,0,0,0,0|2,0,0]=3 806 B6R0.3 CC[C@@H](C(F)F)N 1P028DRX [0,1,0,0,0,0|3,0,0]=4 807 B6R0.3 CC[C@@H]([C@@H](O)C)N 1P01XDIC [0,1,0,0,0,0|2,0,0]=3 808 B6R0.3 CC[C@@H]([C@H](N)C)C 1P01FJYA [0,1,0,0,0,0|3,0,0]=4 809 B6R0.3 CC[C@@H]([C@H](O)C)N 1P01EFZM [0,1,0,0,0,0|2,0,0]=3 810 B6R0.3 CC[C@H](C(=O)O)Br 1P006UE3 [0,1,0,0,0,0|2,0,1]=4 811 B6R0.3 CC[C@H](C(=O)O)Cl 1P003CM0 [0,1,0,0,0,0|2,0,1]=4 812 B6R0.3 CC[C@H](C(=O)O)N 1P002SV0 [0,1,0,0,0,0|2,0,1]=4 813 B6R0.3 CC[C@H](C(=O)O)O 1P002D2A [0,1,0,0,0,0|1,0,1]=3 814 B6R0.3 CC[C@H](C(C)C)N 1P01B2L3 [0,1,0,0,0,0|3,0,0]=4 815 B6R0.3 CC[C@H](C(C)C)O 1P01DX0X [0,1,0,0,0,0|2,0,0]=3 816 B6R0.3 CC[C@H](C(F)F)N 1P028K7T [0,1,0,0,0,0|3,0,0]=4 817 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01JUYU [0,1,0,0,0,0|2,0,0]=3 818 B6R0.3 CC[C@H]([C@@H](O)C)N 1P01K8CX [0,1,0,0,0,0|2,0,0]=3 819 B6R0.3 CC[C@H]([C@H](O)C)N 1P00K8Q8 [0,1,0,0,0,0|2,0,0]=3 820 B6R0.3 CC[C@H]([C@H](O)C)N 1P024U1N [0,1,0,0,0,0|2,0,0]=3 821 B6R0.3 COC(C(O)C)C 1P00DK0D [0,1,0,0,0,0|3,0,0]=4 822 B6R0.3 CSC(C(O)C)C 1P001W4K [0,1,0,0,0,0|3,0,0]=4 823 B6R0.3 C[C@@H](C(=C)CBr)O 1P01BU6X [0,1,0,0,0,0|2,0,1]=4 824 B6R0.3 C[C@@H](C(=O)O)CC 1P0032VK [0,1,0,0,0,0|2,0,1]=4 825 B6R0.3 C[C@@H](C(=O)O)CN 1P00BI27 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.3 C[C@@H](O)[C@@H](N)CC 1P01FWTF [0,1,0,0,0,0|2,0,0]=3 827 B6R0.3 C[C@@H]([C@H](O)C)C=C 1P01XCHP [0,1,0,0,0,0|2,0,1]=4 828 B6R0.3 C[C@H](C(=O)O)CC 1P0032WP [0,1,0,0,0,0|2,0,1]=4 829 B6R0.3 C[C@H](C(=O)O)CN 1P00CJ9Y [0,1,0,0,0,0|2,0,1]=4 830 B6R0.3 C[C@H](C(=O)O)CN 1P00H3B0 [0,1,0,0,0,0|2,0,1]=4 831 B6R0.3 C[C@H]([C@@H](O)C)C=C 1P01H7DW [0,1,0,0,0,0|2,0,1]=4 832 B6R0.3 C[C@H]([C@H](O)C)C=C 1P02031P [0,1,0,0,0,0|2,0,1]=4 833 B6R0.3 ClCC(C(C)C)N 1P028V4U [0,1,0,0,0,0|3,0,0]=4 834 B6R0.3 ClCC(C(C)C)O 1P01B8ZZ [0,1,0,0,0,0|2,0,0]=3 835 B6R0.3 ClCC(C(Cl)C)O 1P01DVHD [0,1,0,0,0,0|2,0,0]=3 836 B6R0.3 NC(C(=O)N)CO 1P01B58Z [0,1,0,0,0,0|1,0,2]=4 837 B6R0.3 NC(C(=O)O)CCl 1P00CA7T [0,1,0,0,0,0|2,0,1]=4 838 B6R0.3 NC(C(=O)O)CF 1P00DGN8 [0,1,0,0,0,0|2,0,1]=4 839 B6R0.3 NC(C(=O)O)CN 1P003943 [0,1,0,0,0,0|2,0,1]=4 840 B6R0.3 NC(C(=O)O)CN 1P003FXC [0,1,0,0,0,0|2,0,1]=4 841 B6R0.3 NC(C(=O)O)CS 1P0035K1 [0,1,0,0,0,0|1,1,1]=4 842 B6R0.3 NC(C(=O)O)CS 1P003QAD [0,1,0,0,0,0|1,1,1]=4 843 B6R0.3 NC(C(=O)O)CS 1P003QAE [0,1,0,0,0,0|1,1,1]=4 844 B6R0.3 NC(C(=O)O)CS 1P006OTU [0,1,0,0,0,0|1,1,1]=4 845 B6R0.3 NCC(C(=O)N)O 1P01BFL9 [0,1,0,0,0,0|1,0,2]=4 846 B6R0.3 NCC(C(=O)O)F 1P003HSD [0,1,0,0,0,0|2,0,1]=4 847 B6R0.3 NCC(C(=O)O)F 1P003Q9F [0,1,0,0,0,0|2,0,1]=4 848 B6R0.3 NCC(C(=O)O)O 1P00IAJH [0,1,0,0,0,0|1,0,1]=3 849 B6R0.3 NCC(C(C)C)C 1P006L5N [0,1,0,0,0,0|3,0,0]=4 850 B6R0.3 NCC(C(C)C)C 1P01EII4 [0,1,0,0,0,0|3,0,0]=4 851 B6R0.3 NCC(C(C)C)Cl 1P028EKI [0,1,0,0,0,0|3,0,0]=4 852 B6R0.3 NCC(C(C)C)N 1P01AHZS [0,1,0,0,0,0|3,0,0]=4 853 B6R0.3 NCC(C(C)C)O 1P00AMTI [0,1,0,0,0,0|2,0,0]=3 854 B6R0.3 NCC(C(C)C)O 1P01AKSJ [0,1,0,0,0,0|2,0,0]=3 855 B6R0.3 NCC(C(C)C)S 1P028OJ3 [0,1,0,0,0,0|2,1,0]=4 856 B6R0.3 NCC(C(F)F)C 1P01EJRH [0,1,0,0,0,0|3,0,0]=4 857 B6R0.3 NCC(C(F)F)O 1P00I8S2 [0,1,0,0,0,0|2,0,0]=3 858 B6R0.3 NCC(C(O)C)N 1P01AKOA [0,1,0,0,0,0|2,0,0]=3 859 B6R0.3 NC[C@@H](C(=O)O)N 1P002BHJ [0,1,0,0,0,0|2,0,1]=4 860 B6R0.3 NC[C@@H](C(=O)O)O 1P00IBMO [0,1,0,0,0,0|1,0,1]=3 861 B6R0.3 NC[C@H](C(=O)O)F 1P01C2S9 [0,1,0,0,0,0|2,0,1]=4 862 B6R0.3 NC[C@H](C(=O)O)O 1P00IBMN [0,1,0,0,0,0|1,0,1]=3 863 B6R0.3 NC[C@H](C(C)C)O 1P00J2SF [0,1,0,0,0,0|2,0,0]=3 864 B6R0.3 N[C@@H](C(=O)N)CO 1P000JHQ [0,1,0,0,0,0|1,0,2]=4 865 B6R0.3 N[C@@H](C(=O)O)CBr 1P0285EG [0,1,0,0,0,0|2,0,1]=4 866 B6R0.3 N[C@@H](C(=O)O)CCl 1P00C7GL [0,1,0,0,0,0|2,0,1]=4 867 B6R0.3 N[C@@H](C(=O)O)CCl 1P00DFAR [0,1,0,0,0,0|2,0,1]=4 868 B6R0.3 N[C@@H](C(=O)O)CF 1P0078KD [0,1,0,0,0,0|2,0,1]=4 869 B6R0.3 N[C@@H](C(=O)O)CN 1P002FR4 [0,1,0,0,0,0|2,0,1]=4 870 B6R0.3 N[C@@H](C(=O)O)CN 1P003422 [0,1,0,0,0,0|2,0,1]=4 871 B6R0.3 N[C@@H](C(=O)O)CS 1P002JBZ [0,1,0,0,0,0|1,1,1]=4 872 B6R0.3 N[C@@H](C(=O)O)CS 1P00I6LW [0,1,0,0,0,0|1,1,1]=4 873 B6R0.3 N[C@@H](C(=O)O)CS 1P00IHHG [0,1,0,0,0,0|1,1,1]=4 874 B6R0.3 N[C@H](C(=O)N)CO 1P003RU0 [0,1,0,0,0,0|1,0,2]=4 875 B6R0.3 N[C@H](C(=O)O)CBr 1P028ADI [0,1,0,0,0,0|2,0,1]=4 876 B6R0.3 N[C@H](C(=O)O)CCl 1P00344Z [0,1,0,0,0,0|2,0,1]=4 877 B6R0.3 N[C@H](C(=O)O)CF 1P028KPH [0,1,0,0,0,0|2,0,1]=4 878 B6R0.3 N[C@H](C(=O)O)CN 1P001FZQ [0,1,0,0,0,0|2,0,1]=4 879 B6R0.3 N[C@H](C(=O)O)CN 1P00C7HL [0,1,0,0,0,0|2,0,1]=4 880 B6R0.3 N[C@H](C(=O)O)CS 1P000DOJ [0,1,0,0,0,0|1,1,1]=4 881 B6R0.3 N[C@H](C(=O)O)CS 1P0035JZ [0,1,0,0,0,0|1,1,1]=4 882 B6R0.3 N[C@H](C(=O)O)CS 1P003RPD [0,1,0,0,0,0|1,1,1]=4 883 B6R0.3 N[C@H](C(=O)O)C[SeH] 1P0007PW [0,1,0,0,0,0|1,1,1]=4 884 B6R0.3 OC(=O)C(CBr)Br 1P00392R [0,1,0,0,0,0|2,0,1]=4 885 B6R0.3 OC(=O)C(CCl)Cl 1P003FYG [0,1,0,0,0,0|2,0,1]=4 886 B6R0.3 OC(=O)C(CF)Br 1P001X8V [0,1,0,0,0,0|2,0,1]=4 887 B6R0.3 OC(C(=O)O)C#C 1P003HUH [0,1,0,0,0,0|1,0,2]=4 888 B6R0.3 OC(C(=O)O)C=C 1P00F3FZ [0,1,0,0,0,0|1,0,2]=4 889 B6R0.3 OC(C(=O)O)CBr 1P00CRVV [0,1,0,0,0,0|1,0,1]=3 890 B6R0.3 OC(C(=O)O)CCl 1P00369Z [0,1,0,0,0,0|1,0,1]=3 891 B6R0.3 OC(C(C)C)C#N 1P00ACOK [0,1,0,0,0,0|2,0,1]=4 892 B6R0.3 OCC(=C)C(=O)O 1P01AEEH [0,1,0,0,0,0|1,0,2]=4 893 B6R0.3 OCC(=O)C(=O)O 1P0092L4 [0,1,0,0,0,0|0,0,3]=4 894 B6R0.3 OCC(=O)C(C)C 1P00CYUK [0,1,0,0,0,0|1,0,2]=4 895 B6R0.3 OCC(C(=O)O)Br 1P001VQN [0,1,0,0,0,0|1,0,1]=3 896 B6R0.3 OCC(C(=O)O)C 1P002J5U [0,1,0,0,0,0|1,0,1]=3 897 B6R0.3 OCC(C(=O)O)N 1P003QB8 [0,1,0,0,0,0|1,0,1]=3 898 B6R0.3 OCC(C(=O)O)O 1P003P4H [0,1,0,0,0,0|0,0,1]=2 899 B6R0.3 OCC(C(=O)O)O 1P003R8N [0,1,0,0,0,0|0,0,1]=2 900 B6R0.3 OCC(C(=O)[O-])O 1P024HGG [0,1,0,0,0,0|0,0,2]=3 901 B6R0.3 OCC(C(C)C)C 1P00B0NI [0,1,0,0,0,0|2,0,0]=3 902 B6R0.3 OCC(C(C)C)F 1P028GKG [0,1,0,0,0,0|2,0,0]=3 903 B6R0.3 OCC(C(C)C)N 1P001US2 [0,1,0,0,0,0|2,0,0]=3 904 B6R0.3 OCC(C(C)C)O 1P006Z3A [0,1,0,0,0,0|1,0,0]=2 905 B6R0.3 OCC(C(C)C)S 1P000CGY [0,1,0,0,0,0|1,1,0]=3 906 B6R0.3 OCC(C(F)F)C 1P028DPZ [0,1,0,0,0,0|2,0,0]=3 907 B6R0.3 OCC(C(F)F)N 1P028HOT [0,1,0,0,0,0|2,0,0]=3 908 B6R0.3 OCC(C(O)C)C 1P0063UD [0,1,0,0,0,0|1,0,0]=2 909 B6R0.3 OCC(C(O)C)O 1P003DR9 [0,1,0,0,0,0|0,0,0]=1 910 B6R0.3 OCC(N(C)C)C 1P00AQ1A [0,1,0,0,0,0|3,0,0]=4 911 B6R0.3 OC[C@@H](C(=O)O)Br 1P005HBV [0,1,0,0,0,0|1,0,1]=3 912 B6R0.3 OC[C@@H](C(=O)O)N 1P003RTZ [0,1,0,0,0,0|1,0,1]=3 913 B6R0.3 OC[C@@H](C(C)C)N 1P00I8PU [0,1,0,0,0,0|2,0,0]=3 914 B6R0.3 OC[C@@H](C(F)F)N 1P028RUA [0,1,0,0,0,0|2,0,0]=3 915 B6R0.3 OC[C@@H](N(C)C)C 1P01B9AP [0,1,0,0,0,0|3,0,0]=4 916 B6R0.3 OC[C@@H]([C@@H](O)C)N 1P003QCZ [0,1,0,0,0,0|1,0,0]=2 917 B6R0.3 OC[C@@H]([C@H](O)C)N 1P00DBEP [0,1,0,0,0,0|1,0,0]=2 918 B6R0.3 OC[C@H](C(=O)O)Br 1P023N89 [0,1,0,0,0,0|1,0,1]=3 919 B6R0.3 OC[C@H](C(=O)O)C 1P002FFU [0,1,0,0,0,0|1,0,1]=3 920 B6R0.3 OC[C@H](C(=O)O)N 1P00I6B9 [0,1,0,0,0,0|1,0,1]=3 921 B6R0.3 OC[C@H](C(C)C)N 1P0028T6 [0,1,0,0,0,0|2,0,0]=3 922 B6R0.3 OC[C@H](C(C)C)N 1P007UVD [0,1,0,0,0,0|2,0,0]=3 923 B6R0.3 OC[C@H](C(F)F)N 1P0283QO [0,1,0,0,0,0|2,0,0]=3 924 B6R0.3 OC[C@H](C(F)F)O 1P01JL3L [0,1,0,0,0,0|1,0,0]=2 925 B6R0.3 OC[C@H](N(C)C)C 1P01B9AO [0,1,0,0,0,0|3,0,0]=4 926 B6R0.3 OC[C@H]([C@@H](O)C)N 1P0084EN [0,1,0,0,0,0|1,0,0]=2 927 B6R0.3 OC[C@H]([C@H](O)C)N 1P0035KQ [0,1,0,0,0,0|1,0,0]=2 928 B6R0.3 OC[C@H]([C@H](O)C)N 1P01ANMR [0,1,0,0,0,0|1,0,0]=2 929 B6R0.3 O[13CH2][13C@@H]([13C](=O)O)N 1P01CCY3 [0,1,0,0,0,0|1,0,1]=3 930 B6R0.3 O[C@@H](C(=O)O)CF 1P01DXE8 [0,1,0,0,0,0|1,0,1]=3 931 B6R0.3 O[C@@H](C(C)C)C#C 1P005QT9 [0,1,0,0,0,0|2,0,1]=4 932 B6R0.3 O[C@H](C(=O)O)CF 1P01G9M1 [0,1,0,0,0,0|1,0,1]=3 933 B6R0.3 O[C@H](C(C)C)C#C 1P005NS0 [0,1,0,0,0,0|2,0,1]=4 934 B6R0.3 [O-]C(=O)C(CC)O 1P00DA6V [0,1,0,0,0,0|1,0,2]=4 935 B6R0.3 [O-]C(=O)C(CF)O 1P027W8B [0,1,0,0,0,0|1,0,2]=4 936 B6R0.3 [O-]C(=O)C(CO)C 1P00HH01 [0,1,0,0,0,0|1,0,2]=4 937 B6R0.3 [O-][N+](=O)C(CO)Br 1P00DR7G [0,1,0,0,0,0|2,0,1]=4 938 B6R0.3 [O-][N+](=O)C(CO)C 1P002VOQ [0,1,0,0,0,0|2,0,1]=4 939 B6R0.8 BrCC(CBr)(C)C 1P00DA22 [0,1,0,0,0,0|3,0,0]=4 940 B6R0.8 CC(C#C)(CC)O 1P003K5H [0,1,0,0,0,0|2,0,1]=4 941 B6R0.8 CC(C#N)(CC)O 1P00C7SV [0,1,0,0,0,0|2,0,1]=4 942 B6R0.8 CC(C#N)(CO)N 1P0017WR [0,1,0,0,0,0|2,0,1]=4 943 B6R0.8 CC(C#N)(CO)N 1P01BB55 [0,1,0,0,0,0|2,0,1]=4 944 B6R0.8 CC(C#N)(CO)O 1P0282UN [0,1,0,0,0,0|1,0,1]=3 945 B6R0.8 CC(C=C)(CC)O 1P003K5G [0,1,0,0,0,0|2,0,1]=4 946 B6R0.8 CCC(CBr)(C)C 1P01A2PI [0,1,0,0,0,0|3,0,0]=4 947 B6R0.8 CCC(CBr)(F)F 1P01BVLO [0,1,0,0,0,0|3,0,0]=4 948 B6R0.8 CCC(CC)(Br)C 1P003885 [0,1,0,0,0,0|3,0,0]=4 949 B6R0.8 CCC(CC)(C)C 1P003IUC [0,1,0,0,0,0|3,0,0]=4 950 B6R0.8 CCC(CC)(Cl)C 1P003JO4 [0,1,0,0,0,0|3,0,0]=4 951 B6R0.8 CCC(CC)(N)C 1P00C95L [0,1,0,0,0,0|3,0,0]=4 952 B6R0.8 CCC(CC)(N)C 1P00J2NZ [0,1,0,0,0,0|3,0,0]=4 953 B6R0.8 CCC(CC)(O)C 1P00347U [0,1,0,0,0,0|2,0,0]=3 954 B6R0.8 CCC(CCl)(Cl)C 1P002MBW [0,1,0,0,0,0|3,0,0]=4 955 B6R0.8 CCC(CN)(C)C 1P01BEN7 [0,1,0,0,0,0|3,0,0]=4 956 B6R0.8 CCC(CN)(Cl)C 1P028K72 [0,1,0,0,0,0|3,0,0]=4 957 B6R0.8 CCC(CN)(F)F 1P019Z0E [0,1,0,0,0,0|3,0,0]=4 958 B6R0.8 CCC(CN)(N)C 1P00DRD2 [0,1,0,0,0,0|3,0,0]=4 959 B6R0.8 CCC(CN)(O)C 1P006WOQ [0,1,0,0,0,0|2,0,0]=3 960 B6R0.8 CCC(CN)(O)C 1P028OF0 [0,1,0,0,0,0|2,0,0]=3 961 B6R0.8 CCC(CO)(C)C 1P008TP6 [0,1,0,0,0,0|2,0,0]=3 962 B6R0.8 CCC(CO)(F)F 1P01B71Q [0,1,0,0,0,0|2,0,0]=3 963 B6R0.8 CCC(CO)(N)C 1P0006K6 [0,1,0,0,0,0|2,0,0]=3 964 B6R0.8 CCC(CO)(O)C 1P00C6Q5 [0,1,0,0,0,0|1,0,0]=2 965 B6R0.8 CCP(=O)(CC)O 1P005A6Q [0,1,0,0,0,0|3,0,0]=4 966 B6R0.8 ClCC(CBr)(Br)C 1P00866D [0,1,0,0,0,0|3,0,0]=4 967 B6R0.8 ClCC(CBr)(F)C 1P0292X2 [0,1,0,0,0,0|3,0,0]=4 968 B6R0.8 ClCC(CCl)(C)C 1P002Z7Q [0,1,0,0,0,0|3,0,0]=4 969 B6R0.8 NCC(CBr)(C)C 1P01C37L [0,1,0,0,0,0|3,0,0]=4 970 B6R0.8 NCC(CBr)(F)C 1P028XSL [0,1,0,0,0,0|3,0,0]=4 971 B6R0.8 NCC(CCl)(C)C 1P01BAJL [0,1,0,0,0,0|3,0,0]=4 972 B6R0.8 NCC(CF)(C)C 1P024QH2 [0,1,0,0,0,0|3,0,0]=4 973 B6R0.8 NCC(CN)(C)C 1P003FRX [0,1,0,0,0,0|3,0,0]=4 974 B6R0.8 NCC(CN)(F)F 1P00HT9P [0,1,0,0,0,0|3,0,0]=4 975 B6R0.8 NCC(CO)(C)C 1P003JAR [0,1,0,0,0,0|2,0,0]=3 976 B6R0.8 NCC(CO)(C)C 1P01JZYZ [0,1,0,0,0,0|2,0,0]=3 977 B6R0.8 NCC(CO)(F)F 1P000WN0 [0,1,0,0,0,0|2,0,0]=3 978 B6R0.8 NCC(CO)(F)F 1P001OAH [0,1,0,0,0,0|2,0,0]=3 979 B6R0.8 NCC(CO)(O)C 1P019TG2 [0,1,0,0,0,0|1,0,0]=2 980 B6R0.8 NCC(CO)(O)C 1P028HBK [0,1,0,0,0,0|1,0,0]=2 981 B6R0.8 NCC(CS)(C)C 1P028QOE [0,1,0,0,0,0|2,1,0]=4 982 B6R0.8 NCC(CS)(F)F 1P027VOF [0,1,0,0,0,0|2,1,0]=4 983 B6R0.8 OCC(C#C)(C)C 1P00ED7M [0,1,0,0,0,0|2,0,1]=4 984 B6R0.8 OCC(C#N)(C)C 1P00AMGU [0,1,0,0,0,0|2,0,1]=4 985 B6R0.8 OCC(C=C)(C)C 1P00J3BW [0,1,0,0,0,0|2,0,1]=4 986 B6R0.8 OCC(C=C)(F)F 1P0024CV [0,1,0,0,0,0|2,0,1]=4 987 B6R0.8 OCC(C=O)(C)C 1P0037VS [0,1,0,0,0,0|1,0,2]=4 988 B6R0.8 OCC(CBr)(C)C 1P00342F [0,1,0,0,0,0|2,0,0]=3 989 B6R0.8 OCC(CBr)(F)F 1P01B9J5 [0,1,0,0,0,0|2,0,0]=3 990 B6R0.8 OCC(CCl)(C)C 1P003JN0 [0,1,0,0,0,0|2,0,0]=3 991 B6R0.8 OCC(CF)(F)F 1P024SGI [0,1,0,0,0,0|2,0,0]=3 992 B6R0.8 OCC(CO)(C)C 1P000R4P [0,1,0,0,0,0|1,0,0]=2 993 B6R0.8 OCC(CO)(F)F 1P0037WJ [0,1,0,0,0,0|1,0,0]=2 994 B6R0.8 OCC(CO)(N)C 1P000G1B [0,1,0,0,0,0|1,0,0]=2 995 B6R0.8 OCC(CO)(O)C 1P00C48B [0,1,0,0,0,0|0,0,0]=1 996 B6R0.8 OCC(CS)(C)C 1P01EJ6W [0,1,0,0,0,0|1,1,0]=3 997 B6R0.8 OCC(NC)(C)C 1P002USC [0,1,0,0,0,0|3,0,0]=4 998 B6R0.8 OCC(NC)(C)C 1P01AVAE [0,1,0,0,0,0|3,0,0]=4 999 B6R0.8 OCC(OC)(C)C 1P0039HN [0,1,0,0,0,0|3,0,0]=4 1000 B6R0.8 OCC(ON)(C)C 1P01APIA [0,1,0,0,0,0|3,0,0]=4 1001 B6R0.8 OCC(SC)(C)C 1P01A53K [0,1,0,0,0,0|3,0,0]=4 1002 B6R0.9 BrCC(CBr)CBr 1P01SDB6 [0,1,0,0,0,0|3,0,0]=4 1003 B6R0.9 BrCC(CBr)OC 1P028192 [0,1,0,0,0,0|2,0,0]=3 1004 B6R0.9 BrCC(OC)OC 1P0033LE [0,1,0,0,0,0|3,0,0]=4 1005 B6R0.9 CCC(=CO)CC 1P007L0D [0,1,0,0,0,0|2,0,1]=4 1006 B6R0.9 CCC(=NO)CC 1P0075Q8 [0,1,0,0,0,0|2,0,1]=4 1007 B6R0.9 CCC(C#C)CC 1P002L46 [0,1,0,0,0,0|3,0,0]=4 1008 B6R0.9 CCC(C#C)CN 1P027Y5V [0,1,0,0,0,0|3,0,0]=4 1009 B6R0.9 CCC(C#C)OC 1P028RNM [0,1,0,0,0,0|2,0,1]=4 1010 B6R0.9 CCC(C#N)CBr 1P01ANSS [0,1,0,0,0,0|3,0,0]=4 1011 B6R0.9 CCC(C#N)CC 1P00EV6F [0,1,0,0,0,0|3,0,0]=4 1012 B6R0.9 CCC(C#N)CN 1P027V5X [0,1,0,0,0,0|3,0,0]=4 1013 B6R0.9 CCC(C#N)OC 1P01AFVB [0,1,0,0,0,0|2,0,1]=4 1014 B6R0.9 CCC(C=O)CC 1P00H7DY [0,1,0,0,0,0|2,0,1]=4 1015 B6R0.9 CCC(CBr)CBr 1P00BFW9 [0,1,0,0,0,0|3,0,0]=4 1016 B6R0.9 CCC(CBr)CC 1P003361 [0,1,0,0,0,0|3,0,0]=4 1017 B6R0.9 CCC(CI)CC 1P027V4B [0,1,0,0,0,0|3,0,0]=4 1018 B6R0.9 CCC(CN)CC 1P00E9X2 [0,1,0,0,0,0|3,0,0]=4 1019 B6R0.9 CCC(CN)CC 1P00HVSA [0,1,0,0,0,0|3,0,0]=4 1020 B6R0.9 CCC(CN)CN 1P01BAZN [0,1,0,0,0,0|3,0,0]=4 1021 B6R0.9 CCC(CO)CC 1P0033R9 [0,1,0,0,0,0|2,0,0]=3 1022 B6R0.9 CCC(CO)CN 1P01BNAS [0,1,0,0,0,0|2,0,0]=3 1023 B6R0.9 CCC(CO)CO 1P002S7Y [0,1,0,0,0,0|1,0,0]=2 1024 B6R0.9 CCC(CS)CC 1P01FG0V [0,1,0,0,0,0|2,1,0]=4 1025 B6R0.9 CCC(NC)CC 1P000VO9 [0,1,0,0,0,0|3,0,0]=4 1026 B6R0.9 CCC(NC)CC 1P003TNC [0,1,0,0,0,0|3,0,0]=4 1027 B6R0.9 CCC(NC)CN 1P0286HR [0,1,0,0,0,0|3,0,0]=4 1028 B6R0.9 CCC(NC)CO 1P002USD [0,1,0,0,0,0|2,0,0]=3 1029 B6R0.9 CCC(NN)CC 1P0039RY [0,1,0,0,0,0|3,0,0]=4 1030 B6R0.9 CCC(NN)CC 1P00HGGZ [0,1,0,0,0,0|3,0,0]=4 1031 B6R0.9 CCC(NN)CF 1P019Z47 [0,1,0,0,0,0|3,0,0]=4 1032 B6R0.9 CCC(NO)CC 1P01B6NL [0,1,0,0,0,0|2,0,0]=3 1033 B6R0.9 CCC(OC)CBr 1P01C3HM [0,1,0,0,0,0|2,0,0]=3 1034 B6R0.9 CCC(OC)CN 1P009AE8 [0,1,0,0,0,0|2,0,0]=3 1035 B6R0.9 CCC(OC)CO 1P003HZ7 [0,1,0,0,0,0|1,0,0]=2 1036 B6R0.9 CCC(OC)CS 1P0289HS [0,1,0,0,0,0|1,1,0]=3 1037 B6R0.9 CCC(OC)OC 1P003UFZ [0,1,0,0,0,0|3,0,0]=4 1038 B6R0.9 CCC(ON)CC 1P028TBY [0,1,0,0,0,0|2,0,0]=3 1039 B6R0.9 CC[C@@H](NC)CO 1P01JM2P [0,1,0,0,0,0|2,0,0]=3 1040 B6R0.9 CC[C@H](NC)CO 1P007FWP [0,1,0,0,0,0|2,0,0]=3 1041 B6R0.9 CN[C@@H](C=C)CO 1P028DFL [0,1,0,0,0,0|2,0,1]=4 1042 B6R0.9 COC(C#C)CN 1P0289OT [0,1,0,0,0,0|2,0,1]=4 1043 B6R0.9 COC(C=C)CBr 1P007OYC [0,1,0,0,0,0|2,0,1]=4 1044 B6R0.9 COC(CBr)CO 1P01SIVD [0,1,0,0,0,0|1,0,0]=2 1045 B6R0.9 COC(CO)CN 1P01A270 [0,1,0,0,0,0|1,0,0]=2 1046 B6R0.9 CO[C@@H](CO)CN 1P01JWIA [0,1,0,0,0,0|1,0,0]=2 1047 B6R0.9 CO[C@@H](CO)CN 1P01RT3Q [0,1,0,0,0,0|1,0,0]=2 1048 B6R0.9 CO[C@H](CO)CN 1P02814R [0,1,0,0,0,0|1,0,0]=2 1049 B6R0.9 ClCC(OC)OC 1P005XI0 [0,1,0,0,0,0|3,0,0]=4 1050 B6R0.9 FCC(CF)NC 1P027YCB [0,1,0,0,0,0|3,0,0]=4 1051 B6R0.9 NCC(CN)OC 1P01A6WA [0,1,0,0,0,0|2,0,0]=3 1052 B6R0.9 NCC(CO)CO 1P019GUD [0,1,0,0,0,0|1,0,0]=2 1053 B6R0.9 NCC(OC)OC 1P0037ZI [0,1,0,0,0,0|3,0,0]=4 1054 B6R0.9 OCC(=NO)CO 1P003E0L [0,1,0,0,0,0|0,0,1]=2 1055 B6R0.9 OCC(CBr)CO 1P024WLV [0,1,0,0,0,0|1,0,0]=2 1056 B6R0.9 OCC(CO)CO 1P00396V [0,1,0,0,0,0|0,0,0]=1 1057 B6R0.9 OCC(CO)NC 1P00592F [0,1,0,0,0,0|1,0,0]=2 1058 B6R0.9 OCC(CO)NC 1P01BGWQ [0,1,0,0,0,0|1,0,0]=2 1059 B6R0.9 OCC(CO)OC 1P0058C6 [0,1,0,0,0,0|0,0,0]=1 1060 B6R0.9 OCC(OC)OC 1P00326L [0,1,0,0,0,0|2,0,0]=3 1061 B6R0.9 OCP(CO)CO 1P002UUJ [0,1,0,0,0,0|1,0,0]=2 1062 B6R0.9 SCC(OC)OC 1P0041U4 [0,1,0,0,0,0|2,1,0]=4 1063 B6R1.2 BrC1CC=CC1 1P00268S [0,0,0,1,0,0|3,0,0]=4 1064 B6R1.2 BrC1CCCC1 1P00134Y [0,0,0,1,0,0|3,0,0]=4 1065 B6R1.2 BrC1CNCC1 1P000SXO [0,0,0,1,0,0|3,0,0]=4 1066 B6R1.2 BrC1CNCC1 1P00IJDM [0,0,0,1,0,0|3,0,0]=4 1067 B6R1.2 BrC1COCC1 1P00AP8A [0,0,0,1,0,0|2,0,0]=3 1068 B6R1.2 BrC1CSCC1 1P01AUS9 [0,0,0,1,0,0|2,1,0]=4 1069 B6R1.2 Br[C@@H]1CNCC1 1P01DWDA [0,0,0,1,0,0|3,0,0]=4 1070 B6R1.2 Br[C@@H]1COCC1 1P028W1C [0,0,0,1,0,0|2,0,0]=3 1071 B6R1.2 Br[C@H]1CNCC1 1P00AB63 [0,0,0,1,0,0|3,0,0]=4 1072 B6R1.2 Br[C@H]1COCC1 1P028VM2 [0,0,0,1,0,0|2,0,0]=3 1073 B6R1.2 C=C1CONC1 1P01FIH5 [0,0,0,1,0,0|2,0,1]=4 1074 B6R1.2 CC1CNCC1 1P008SOQ [0,0,0,1,0,0|3,0,0]=4 1075 B6R1.2 CC1CNNC1 1P0285ON [0,0,0,1,0,0|3,0,0]=4 1076 B6R1.2 CC1COCC1 1P00348B [0,0,0,1,0,0|2,0,0]=3 1077 B6R1.2 CC1CONC1 1P00J2V7 [0,0,0,1,0,0|2,0,0]=3 1078 B6R1.2 CN1COCC1 1P007ME8 [0,0,0,1,0,0|3,0,0]=4 1079 B6R1.2 C[C@@H]1CNCC1 1P0039DE [0,0,0,1,0,0|3,0,0]=4 1080 B6R1.2 C[C@H]1CNCC1 1P002NXA [0,0,0,1,0,0|3,0,0]=4 1081 B6R1.2 ClC1CCCC1 1P0067BI [0,0,0,1,0,0|3,0,0]=4 1082 B6R1.2 ClC1CNCC1 1P008TPJ [0,0,0,1,0,0|3,0,0]=4 1083 B6R1.2 ClC1COCC1 1P00AQGV [0,0,0,1,0,0|2,0,0]=3 1084 B6R1.2 Cl[C@@H]1CNCC1 1P0099OX [0,0,0,1,0,0|3,0,0]=4 1085 B6R1.2 Cl[C@H]1CNCC1 1P01DDDX [0,0,0,1,0,0|3,0,0]=4 1086 B6R1.2 FC1CCCC1 1P001FX4 [0,0,0,1,0,0|3,0,0]=4 1087 B6R1.2 FC1CNCC1 1P007VBD [0,0,0,1,0,0|3,0,0]=4 1088 B6R1.2 F[C@@H]1CNCC1 1P0012QJ [0,0,0,1,0,0|3,0,0]=4 1089 B6R1.2 F[C@H]1CNCC1 1P0012QH [0,0,0,1,0,0|3,0,0]=4 1090 B6R1.2 F[C@H]1CNCC1 1P00FEUM [0,0,0,1,0,0|3,0,0]=4 1091 B6R1.2 IC1CCCC1 1P001OIB [0,0,0,1,0,0|3,0,0]=4 1092 B6R1.2 IC1CNCC1 1P01DY29 [0,0,0,1,0,0|3,0,0]=4 1093 B6R1.2 IC1COCC1 1P008USV [0,0,0,1,0,0|2,0,0]=3 1094 B6R1.2 I[C@@H]1COCC1 1P00GVTR [0,0,0,1,0,0|2,0,0]=3 1095 B6R1.2 I[C@H]1COCC1 1P00GVTQ [0,0,0,1,0,0|2,0,0]=3 1096 B6R1.2 NC1CC=CC1 1P003A3K [0,0,0,1,0,0|3,0,0]=4 1097 B6R1.2 NC1CCCC1 1P0001YL [0,0,0,1,0,0|3,0,0]=4 1098 B6R1.2 NC1CNCC1 1P003JES [0,0,0,1,0,0|3,0,0]=4 1099 B6R1.2 NC1CNCC1 1P003JET [0,0,0,1,0,0|3,0,0]=4 1100 B6R1.2 NC1COCC1 1P002A0U [0,0,0,1,0,0|2,0,0]=3 1101 B6R1.2 NC1COCC1 1P00364W [0,0,0,1,0,0|2,0,0]=3 1102 B6R1.2 NC1CSCC1 1P008TP7 [0,0,0,1,0,0|2,1,0]=4 1103 B6R1.2 NC1CSCC1 1P019SSH [0,0,0,1,0,0|2,1,0]=4 1104 B6R1.2 N[C@@H]1CNCC1 1P000CB6 [0,0,0,1,0,0|3,0,0]=4 1105 B6R1.2 N[C@@H]1CNCC1 1P000YFR [0,0,0,1,0,0|3,0,0]=4 1106 B6R1.2 N[C@@H]1COCC1 1P002A0T [0,0,0,1,0,0|2,0,0]=3 1107 B6R1.2 N[C@@H]1COCC1 1P008T33 [0,0,0,1,0,0|2,0,0]=3 1108 B6R1.2 N[C@H]1CNCC1 1P000CB7 [0,0,0,1,0,0|3,0,0]=4 1109 B6R1.2 N[C@H]1CNCC1 1P000CB8 [0,0,0,1,0,0|3,0,0]=4 1110 B6R1.2 N[C@H]1COCC1 1P0039FG [0,0,0,1,0,0|2,0,0]=3 1111 B6R1.2 N[C@H]1COCC1 1P0039US [0,0,0,1,0,0|2,0,0]=3 1112 B6R1.2 O=C1COCC1 1P002LZR [0,0,0,1,0,0|1,0,2]=4 1113 B6R1.2 OC1CC=CC1 1P00354I [0,0,0,1,0,0|2,0,0]=3 1114 B6R1.2 OC1CCC=C1 1P00C75L [0,0,0,1,0,0|2,0,1]=4 1115 B6R1.2 OC1CCCC1 1P0037C1 [0,0,0,1,0,0|2,0,0]=3 1116 B6R1.2 OC1CCCC1 1P0072E6 [0,0,0,1,0,0|2,0,0]=3 1117 B6R1.2 OC1CCCO1 1P0033TP [0,0,0,1,0,0|3,0,0]=4 1118 B6R1.2 OC1CNCC1 1P00348V [0,0,0,1,0,0|2,0,0]=3 1119 B6R1.2 OC1CNCC1 1P003K1N [0,0,0,1,0,0|2,0,0]=3 1120 B6R1.2 OC1CNNC1 1P01FICC [0,0,0,1,0,0|2,0,0]=3 1121 B6R1.2 OC1COCC1 1P003K1O [0,0,0,1,0,0|1,0,0]=2 1122 B6R1.2 OC1CONC1 1P0052TZ [0,0,0,1,0,0|1,0,0]=2 1123 B6R1.2 OC1CSCC1 1P00C6QJ [0,0,0,1,0,0|1,1,0]=3 1124 B6R1.2 O[C@@H]1CCC=C1 1P028ADY [0,0,0,1,0,0|2,0,1]=4 1125 B6R1.2 O[C@@H]1CNCC1 1P0001TH [0,0,0,1,0,0|2,0,0]=3 1126 B6R1.2 O[C@@H]1CNCC1 1P0017WD [0,0,0,1,0,0|2,0,0]=3 1127 B6R1.2 O[C@@H]1COCC1 1P0036VL [0,0,0,1,0,0|1,0,0]=2 1128 B6R1.2 O[C@@H]1CONC1 1P003D45 [0,0,0,1,0,0|1,0,0]=2 1129 B6R1.2 O[C@@H]1CSCC1 1P01C72F [0,0,0,1,0,0|1,1,0]=3 1130 B6R1.2 O[C@H]1CCC=C1 1P01GV1K [0,0,0,1,0,0|2,0,1]=4 1131 B6R1.2 O[C@H]1CNCC1 1P0032UB [0,0,0,1,0,0|2,0,0]=3 1132 B6R1.2 O[C@H]1CNCC1 1P007MBD [0,0,0,1,0,0|2,0,0]=3 1133 B6R1.2 O[C@H]1COCC1 1P0032UA [0,0,0,1,0,0|1,0,0]=2 1134 B6R1.2 O[C@H]1CONC1 1P003CS1 [0,0,0,1,0,0|1,0,0]=2 1135 B6R1.2 O[C@H]1CSCC1 1P0003PO [0,0,0,1,0,0|1,1,0]=3 1136 B6R1.2 SC1CCCC1 1P00354P [0,0,0,1,0,0|2,1,0]=4 1137 B6R1.2 SC1CNCC1 1P01PP87 [0,0,0,1,0,0|2,1,0]=4 1138 B6R1.2 SC1COCC1 1P01BE72 [0,0,0,1,0,0|1,1,0]=3 1139 B6R1.2 SC1CSCC1 1P01EJ6I [0,0,0,1,0,0|1,2,0]=4 1140 B6R1.2 S[C@@H]1CNCC1 1P020ALT [0,0,0,1,0,0|2,1,0]=4 1141 B6R1.4 BrC1CCC1C 1P00G73Q [0,0,0,1,0,0|3,0,0]=4 1142 B6R1.4 Br[C@@H]1CC[C@H]1F 1P028KGI [0,0,0,1,0,0|3,0,0]=4 1143 B6R1.4 Br[C@H]1CC[C@H]1O 1P0284RU [0,0,0,1,0,0|2,0,0]=3 1144 B6R1.4 CC1NCC1C 1P01AMSK [0,0,0,1,0,0|3,0,0]=4 1145 B6R1.4 CC1OCC1=O 1P00IL5Y [0,0,0,1,0,0|1,0,2]=4 1146 B6R1.4 C[C@H]1NC[C@H]1C 1P024HDJ [0,0,0,1,0,0|3,0,0]=4 1147 B6R1.4 FC1CCC1N 1P01JUSG [0,0,0,1,0,0|3,0,0]=4 1148 B6R1.4 FC1CNC1C 1P01JV2O [0,0,0,1,0,0|3,0,0]=4 1149 B6R1.4 F[C@@H]1CN[C@@H]1C 1P01KADB [0,0,0,1,0,0|3,0,0]=4 1150 B6R1.4 F[C@@H]1CN[C@H]1C 1P01JVJL [0,0,0,1,0,0|3,0,0]=4 1151 B6R1.4 F[C@H]1CC[C@H]1N 1P028OSK [0,0,0,1,0,0|3,0,0]=4 1152 B6R1.4 F[C@H]1CN[C@@H]1C 1P01KACA [0,0,0,1,0,0|3,0,0]=4 1153 B6R1.4 F[C@H]1CN[C@H]1C 1P01KAB8 [0,0,0,1,0,0|3,0,0]=4 1154 B6R1.4 NC1CCC1C 1P01BB58 [0,0,0,1,0,0|3,0,0]=4 1155 B6R1.4 N[C@@H]1CC[C@H]1C 1P027WJ7 [0,0,0,1,0,0|3,0,0]=4 1156 B6R1.4 OC1CCC1C 1P001R53 [0,0,0,1,0,0|2,0,0]=3 1157 B6R1.4 OC1CCC1N 1P01A63L [0,0,0,1,0,0|2,0,0]=3 1158 B6R1.4 OC1CCC1O 1P01JV1P [0,0,0,1,0,0|1,0,0]=2 1159 B6R1.4 OC1CNC1=O 1P01A6LV [0,0,0,1,0,0|1,0,2]=4 1160 B6R1.4 OC1CNC1C 1P00IHGO [0,0,0,1,0,0|2,0,0]=3 1161 B6R1.4 OC1COC1C 1P00A0PR [0,0,0,1,0,0|1,0,0]=2 1162 B6R1.4 O[C@@H]1CC[C@@H]1N 1P002JA3 [0,0,0,1,0,0|2,0,0]=3 1163 B6R1.4 O[C@@H]1CC[C@@H]1O 1P00MDX3 [0,0,0,1,0,0|1,0,0]=2 1164 B6R1.4 O[C@@H]1CC[C@H]1N 1P00I3AC [0,0,0,1,0,0|2,0,0]=3 1165 B6R1.4 O[C@@H]1CC[C@H]1O 1P01JUJU [0,0,0,1,0,0|1,0,0]=2 1166 B6R1.4 O[C@@H]1CN[C@@H]1C 1P01JVJG [0,0,0,1,0,0|2,0,0]=3 1167 B6R1.4 O[C@@H]1CN[C@H]1C 1P01DXVT [0,0,0,1,0,0|2,0,0]=3 1168 B6R1.4 O[C@H]1CC[C@@H]1N 1P00J3BR [0,0,0,1,0,0|2,0,0]=3 1169 B6R1.4 O[C@H]1CC[C@H]1N 1P01E45Q [0,0,0,1,0,0|2,0,0]=3 1170 B6R1.4 O[C@H]1CN[C@@H]1C 1P01X8JQ [0,0,0,1,0,0|2,0,0]=3 1171 B6R1.4 O[C@H]1CN[C@H]1C 1P01JUT3 [0,0,0,1,0,0|2,0,0]=3 1172 B6R1.4 SC1CCC1O 1P028C1D [0,0,0,1,0,0|1,1,0]=3 1173 B6R1.4 S[C@@H]1CC[C@H]1N 1P028B7V [0,0,0,1,0,0|2,1,0]=4 1174 B6R1.4 S[C@@H]1CC[C@H]1O 1P02847Y [0,0,0,1,0,0|1,1,0]=3 1175 B6R1.4 S[C@H]1CC[C@H]1O 1P028AGK [0,0,0,1,0,0|1,1,0]=3 1176 B6R1.6 BrCC1CCC1 1P0032TT [0,0,0,1,0,0|3,0,0]=4 1177 B6R1.6 BrCC1CCO1 1P00GVAM [0,0,0,1,0,0|2,0,0]=3 1178 B6R1.6 BrCC1CNC1 1P020957 [0,0,0,1,0,0|3,0,0]=4 1179 B6R1.6 BrCC1COC1 1P0013P6 [0,0,0,1,0,0|2,0,0]=3 1180 B6R1.6 BrC[C@@H]1CCO1 1P01JUHM [0,0,0,1,0,0|2,0,0]=3 1181 B6R1.6 BrC[C@H]1CCO1 1P01XA9W [0,0,0,1,0,0|2,0,0]=3 1182 B6R1.6 C#CC1COC1 1P00ILUY [0,0,0,1,0,0|2,0,1]=4 1183 B6R1.6 C1COC1C#C 1P01JUNR [0,0,0,1,0,0|2,0,1]=4 1184 B6R1.6 CCC1CCN1 1P01AM4Z [0,0,0,1,0,0|3,0,0]=4 1185 B6R1.6 CCC1CNC1 1P00GB63 [0,0,0,1,0,0|3,0,0]=4 1186 B6R1.6 CNC1COC1 1P003747 [0,0,0,1,0,0|3,0,0]=4 1187 B6R1.6 ClCC1CCC1 1P005MFP [0,0,0,1,0,0|3,0,0]=4 1188 B6R1.6 ClCC1COC1 1P00GUCB [0,0,0,1,0,0|2,0,0]=3 1189 B6R1.6 FCC1CCN1 1P00HZHX [0,0,0,1,0,0|3,0,0]=4 1190 B6R1.6 FCC1CNC1 1P00HZJP [0,0,0,1,0,0|3,0,0]=4 1191 B6R1.6 FC[C@@H]1CCN1 1P00IDH7 [0,0,0,1,0,0|3,0,0]=4 1192 B6R1.6 ICC1CCC1 1P001V30 [0,0,0,1,0,0|3,0,0]=4 1193 B6R1.6 ICC1CCO1 1P00814U [0,0,0,1,0,0|2,0,0]=3 1194 B6R1.6 ICC1COC1 1P0001ZF [0,0,0,1,0,0|2,0,0]=3 1195 B6R1.6 IC[C@@H]1CCO1 1P0203K0 [0,0,0,1,0,0|2,0,0]=3 1196 B6R1.6 IC[C@H]1CCO1 1P020AZD [0,0,0,1,0,0|2,0,0]=3 1197 B6R1.6 N#CC1COC1 1P003B79 [0,0,0,1,0,0|2,0,1]=4 1198 B6R1.6 NCC1CCC1 1P0037X3 [0,0,0,1,0,0|3,0,0]=4 1199 B6R1.6 NCC1CCC1 1P00DC0V [0,0,0,1,0,0|3,0,0]=4 1200 B6R1.6 NCC1CCN1 1P001AB5 [0,0,0,1,0,0|3,0,0]=4 1201 B6R1.6 NCC1CCN1 1P007XUI [0,0,0,1,0,0|3,0,0]=4 1202 B6R1.6 NCC1CCO1 1P008BHL [0,0,0,1,0,0|2,0,0]=3 1203 B6R1.6 NCC1CCS1 1P01BD5N [0,0,0,1,0,0|2,1,0]=4 1204 B6R1.6 NCC1CNC1 1P00C4DN [0,0,0,1,0,0|3,0,0]=4 1205 B6R1.6 NCC1COC1 1P003A8D [0,0,0,1,0,0|2,0,0]=3 1206 B6R1.6 NCC1CSC1 1P00IL75 [0,0,0,1,0,0|2,1,0]=4 1207 B6R1.6 NC[C@@H]1CCO1 1P01JHQ1 [0,0,0,1,0,0|2,0,0]=3 1208 B6R1.6 NC[C@@H]1CCO1 1P0223D0 [0,0,0,1,0,0|2,0,0]=3 1209 B6R1.6 NC[C@H]1CCO1 1P01JO5Q [0,0,0,1,0,0|2,0,0]=3 1210 B6R1.6 NNC1COC1 1P00ABCO [0,0,0,1,0,0|3,0,0]=4 1211 B6R1.6 NOC1COC1 1P01A4YQ [0,0,0,1,0,0|3,0,0]=4 1212 B6R1.6 O=CC1COC1 1P000V0A [0,0,0,1,0,0|1,0,2]=4 1213 B6R1.6 OCC1=CCC1 1P0281EC [0,0,0,1,0,0|2,0,1]=4 1214 B6R1.6 OCC1CCC1 1P003PKF [0,0,0,1,0,0|2,0,0]=3 1215 B6R1.6 OCC1CCN1 1P00CH6L [0,0,0,1,0,0|2,0,0]=3 1216 B6R1.6 OCC1CCO1 1P003HWE [0,0,0,1,0,0|1,0,0]=2 1217 B6R1.6 OCC1CNC1 1P003OEL [0,0,0,1,0,0|2,0,0]=3 1218 B6R1.6 OCC1CNC1 1P00H7RM [0,0,0,1,0,0|2,0,0]=3 1219 B6R1.6 OCC1COC1 1P003ATL [0,0,0,1,0,0|1,0,0]=2 1220 B6R1.6 OCC1CSC1 1P00HY7V [0,0,0,1,0,0|1,1,0]=3 1221 B6R1.6 OC[C@@H]1CCN1 1P007HG2 [0,0,0,1,0,0|2,0,0]=3 1222 B6R1.6 OC[C@@H]1CCN1 1P01JM7S [0,0,0,1,0,0|2,0,0]=3 1223 B6R1.6 OC[C@@H]1CCO1 1P01JUR7 [0,0,0,1,0,0|1,0,0]=2 1224 B6R1.6 OC[C@H]1CCN1 1P002KNK [0,0,0,1,0,0|2,0,0]=3 1225 B6R1.6 OC[C@H]1CCN1 1P00GWZA [0,0,0,1,0,0|2,0,0]=3 1226 B6R1.6 OC[C@H]1CCO1 1P01EN4S [0,0,0,1,0,0|1,0,0]=2 1227 B6R1.6 ON=C1COC1 1P007POD [0,0,0,1,0,0|2,0,1]=4 1228 B6R1.6 ONC1CCC1 1P028XIV [0,0,0,1,0,0|3,0,0]=4 1229 B6R1.6 ONC1CNC1 1P027U4A [0,0,0,1,0,0|3,0,0]=4 1230 B6R1.6 SCC1CCC1 1P019TRN [0,0,0,1,0,0|2,1,0]=4 1231 B6R1.6 SCC1COC1 1P0203FP [0,0,0,1,0,0|1,1,0]=3 1232 B6R1.7 BrCC1(Br)CC1 1P01AV8S [0,0,0,1,0,0|3,0,0]=4 1233 B6R1.7 BrCC1(C)CC1 1P007449 [0,0,0,1,0,0|3,0,0]=4 1234 B6R1.7 BrCC1(Cl)CC1 1P01BSIZ [0,0,0,1,0,0|3,0,0]=4 1235 B6R1.7 BrCC1(F)CC1 1P01EM6A [0,0,0,1,0,0|3,0,0]=4 1236 B6R1.7 BrCC1(N)CC1 1P027ZHN [0,0,0,1,0,0|3,0,0]=4 1237 B6R1.7 C#CC1(O)CC1 1P002M1E [0,0,0,1,0,0|2,0,1]=4 1238 B6R1.7 C=CC1(O)CC1 1P01AJYP [0,0,0,1,0,0|2,0,1]=4 1239 B6R1.7 CC1(CBr)CO1 1P01DXMK [0,0,0,1,0,0|2,0,0]=3 1240 B6R1.7 CC1(CCl)CO1 1P003FH0 [0,0,0,1,0,0|2,0,0]=3 1241 B6R1.7 CC1(CO1)C=C 1P003RL2 [0,0,0,1,0,0|2,0,1]=4 1242 B6R1.7 CC1(CO1)C=O 1P004JUE [0,0,0,1,0,0|1,0,2]=4 1243 B6R1.7 CCC1(C)CO1 1P007JZY [0,0,0,1,0,0|2,0,0]=3 1244 B6R1.7 CCC1(N)CC1 1P0020HL [0,0,0,1,0,0|3,0,0]=4 1245 B6R1.7 CCC1(O)CC1 1P00EUN0 [0,0,0,1,0,0|2,0,0]=3 1246 B6R1.7 C[C@@]1(CO)CO1 1P0039ZJ [0,0,0,1,0,0|1,0,0]=2 1247 B6R1.7 C[C@]1(CO)CO1 1P0038UH [0,0,0,1,0,0|1,0,0]=2 1248 B6R1.7 FCC1(N)CC1 1P003B6K [0,0,0,1,0,0|3,0,0]=4 1249 B6R1.7 N#CC1(O)CC1 1P001FDD [0,0,0,1,0,0|2,0,1]=4 1250 B6R1.7 NCC1(Br)CC1 1P0288EC [0,0,0,1,0,0|3,0,0]=4 1251 B6R1.7 NCC1(C)CC1 1P000ROM [0,0,0,1,0,0|3,0,0]=4 1252 B6R1.7 NCC1(Cl)CC1 1P0283PV [0,0,0,1,0,0|3,0,0]=4 1253 B6R1.7 NCC1(F)CC1 1P01DTT4 [0,0,0,1,0,0|3,0,0]=4 1254 B6R1.7 NCC1(N)CC1 1P00G8N6 [0,0,0,1,0,0|3,0,0]=4 1255 B6R1.7 NCC1(O)CC1 1P003754 [0,0,0,1,0,0|2,0,0]=3 1256 B6R1.7 NCC1(O)CC1 1P00HGQX [0,0,0,1,0,0|2,0,0]=3 1257 B6R1.7 OCC1(Br)CC1 1P00DQA1 [0,0,0,1,0,0|2,0,0]=3 1258 B6R1.7 OCC1(C)CC1 1P00339T [0,0,0,1,0,0|2,0,0]=3 1259 B6R1.7 OCC1(C)N=N1 1P01BTUM [0,0,0,1,0,0|3,0,0]=4 1260 B6R1.7 OCC1(Cl)CC1 1P01PJEJ [0,0,0,1,0,0|2,0,0]=3 1261 B6R1.7 OCC1(F)CC1 1P00AR7J [0,0,0,1,0,0|2,0,0]=3 1262 B6R1.7 OCC1(N)CC1 1P000H52 [0,0,0,1,0,0|2,0,0]=3 1263 B6R1.7 OCC1(N)CC1 1P007BTH [0,0,0,1,0,0|2,0,0]=3 1264 B6R1.7 OCC1(O)CC1 1P007448 [0,0,0,1,0,0|1,0,0]=2 1265 B6R1.7 SCC1(N)CC1 1P028UZ6 [0,0,0,1,0,0|2,1,0]=4 1266 B6R1.8 CC1CC1CBr 1P01BCR5 [0,0,0,1,0,0|3,0,0]=4 1267 B6R1.8 CC1CC1CN 1P019NSQ [0,0,0,1,0,0|3,0,0]=4 1268 B6R1.8 CC1CC1CO 1P003I5U [0,0,0,1,0,0|2,0,0]=3 1269 B6R1.8 CC1OC1CBr 1P028Y5R [0,0,0,1,0,0|2,0,0]=3 1270 B6R1.8 CC1OC1CCl 1P028K8R [0,0,0,1,0,0|2,0,0]=3 1271 B6R1.8 CC[C@@H]1C[C@H]1N 1P01B7ZY [0,0,0,1,0,0|3,0,0]=4 1272 B6R1.8 C[C@@H]1C[C@H]1CBr 1P01PIT7 [0,0,0,1,0,0|3,0,0]=4 1273 B6R1.8 C[C@@H]1C[C@H]1CN 1P00I3PK [0,0,0,1,0,0|3,0,0]=4 1274 B6R1.8 C[C@@H]1C[C@H]1CO 1P01BJQH [0,0,0,1,0,0|2,0,0]=3 1275 B6R1.8 C[C@H]1C[C@@H]1CO 1P00I4HD [0,0,0,1,0,0|2,0,0]=3 1276 B6R1.8 C[C@H]1C[C@H]1CO 1P00ILTH [0,0,0,1,0,0|2,0,0]=3 1277 B6R1.8 ClCC1CC1Br 1P028MHQ [0,0,0,1,0,0|3,0,0]=4 1278 B6R1.8 F[C@@H]1C[C@H]1CBr 1P027VD9 [0,0,0,1,0,0|3,0,0]=4 1279 B6R1.8 NCC1CC1Cl 1P028XMT [0,0,0,1,0,0|3,0,0]=4 1280 B6R1.8 NC[C@@H]1C[C@@H]1F 1P028SEG [0,0,0,1,0,0|3,0,0]=4 1281 B6R1.8 NC[C@@H]1C[C@H]1Br 1P027V91 [0,0,0,1,0,0|3,0,0]=4 1282 B6R1.8 NC[C@@H]1C[C@H]1F 1P027UTK [0,0,0,1,0,0|3,0,0]=4 1283 B6R1.8 N[C@@H]1C[C@H]1CF 1P028I0G [0,0,0,1,0,0|3,0,0]=4 1284 B6R1.8 N[C@@H]1C[C@H]1CO 1P01B7ZZ [0,0,0,1,0,0|2,0,0]=3 1285 B6R1.8 OCC1CC1=C 1P002YEX [0,0,0,1,0,0|2,0,1]=4 1286 B6R1.8 OCC1CC1Cl 1P0042H3 [0,0,0,1,0,0|2,0,0]=3 1287 B6R1.8 OC[C@@H]1C[C@H]1Br 1P027VYJ [0,0,0,1,0,0|2,0,0]=3 1288 B6R1.8 OC[C@@H]1C[C@H]1F 1P00HZTA [0,0,0,1,0,0|2,0,0]=3 1289 B6R1.8 OC[C@H]1CC1=C 1P001B0T [0,0,0,1,0,0|2,0,1]=4 1290 B3R0.1 *CC* 1P006M6F [2,0,0,0,0,0|2,0,0]=4 1291 B3R0.1 BrCCI 1P00ELVX [2,0,0,0,0,0|2,0,0]=4 1292 B3R0.1 CCC=O 1P000KDZ [2,0,0,0,0,0|0,0,2]=4 1293 B3R0.1 CCCBr 1P003370 [2,0,0,0,0,0|1,0,0]=3 1294 B3R0.1 CCCI 1P003EWL [2,0,0,0,0,0|1,0,0]=3 1295 B3R0.1 CCCN 1P003TSK [2,0,0,0,0,0|1,0,0]=3 1296 B3R0.1 CCCN 1P00AQWV [2,0,0,0,0,0|1,0,0]=3 1297 B3R0.1 CCCN 1P00E0IW [2,0,0,0,0,0|1,0,0]=3 1298 B3R0.1 CCCO 1P0033AN [2,0,0,0,0,0|0,0,0]=2 1299 B3R0.1 CCC[CH2] 1P003OTI [2,0,0,0,0,0|1,0,0]=3 1300 B3R0.1 CCC[CH2] 1P00C3KK [2,0,0,0,0,0|1,0,0]=3 1301 B3R0.1 CCNN 1P0037OA [2,0,0,0,0,0|2,0,0]=4 1302 B3R0.1 CCNN 1P00ACTJ [2,0,0,0,0,0|2,0,0]=4 1303 B3R0.1 CCNN 1P019LMQ [2,0,0,0,0,0|2,0,0]=4 1304 B3R0.1 CCNO 1P0035UF [2,0,0,0,0,0|1,0,0]=3 1305 B3R0.1 CCON 1P003QFJ [2,0,0,0,0,0|2,0,0]=4 1306 B3R0.1 CCON 1P00EJ20 [2,0,0,0,0,0|2,0,0]=4 1307 B3R0.1 CC[Mg]Br 1P0035DY [2,0,0,0,0,0|2,0,0]=4 1308 B3R0.1 CC[Mg]Cl 1P003R04 [2,0,0,0,0,0|2,0,0]=4 1309 B3R0.1 CC[N-]C 1P0021R9 [2,0,0,0,0,0|2,0,0]=4 1310 B3R0.1 CNCC 1P003TOC [2,0,0,0,0,0|2,0,0]=4 1311 B3R0.1 CNCC 1P00IBHJ [2,0,0,0,0,0|2,0,0]=4 1312 B3R0.1 COCBr 1P000V46 [2,0,0,0,0,0|2,0,0]=4 1313 B3R0.1 CSCC 1P003SL2 [2,0,0,0,0,0|2,0,0]=4 1314 B3R0.1 CSCCl 1P003PAT [2,0,0,0,0,0|2,0,0]=4 1315 B3R0.1 ClCCBr 1P0038OW [2,0,0,0,0,0|2,0,0]=4 1316 B3R0.1 ClCCCl 1P00331F [2,0,0,0,0,0|2,0,0]=4 1317 B3R0.1 ClCCI 1P003EO9 [2,0,0,0,0,0|2,0,0]=4 1318 B3R0.1 FCCI 1P003ESL [2,0,0,0,0,0|2,0,0]=4 1319 B3R0.1 FCCS 1P0288D0 [2,0,0,0,0,0|1,1,0]=4 1320 B3R0.1 ICCI 1P00E9VM [2,0,0,0,0,0|2,0,0]=4 1321 B3R0.1 NCCBr 1P0033N4 [2,0,0,0,0,0|2,0,0]=4 1322 B3R0.1 NCCCl 1P0033Q0 [2,0,0,0,0,0|2,0,0]=4 1323 B3R0.1 NCCF 1P0033SF [2,0,0,0,0,0|2,0,0]=4 1324 B3R0.1 NCCI 1P01ADFO [2,0,0,0,0,0|2,0,0]=4 1325 B3R0.1 NCCI 1P01AFKG [2,0,0,0,0,0|2,0,0]=4 1326 B3R0.1 NCCN 1P003ORO [2,0,0,0,0,0|2,0,0]=4 1327 B3R0.1 NCCN 1P003PTM [2,0,0,0,0,0|2,0,0]=4 1328 B3R0.1 NCCN 1P003PTN [2,0,0,0,0,0|2,0,0]=4 1329 B3R0.1 NCCN 1P003QZJ [2,0,0,0,0,0|2,0,0]=4 1330 B3R0.1 NCCN 1P003QZM [2,0,0,0,0,0|2,0,0]=4 1331 B3R0.1 NCCN 1P003QZN [2,0,0,0,0,0|2,0,0]=4 1332 B3R0.1 NCCN 1P00IMXZ [2,0,0,0,0,0|2,0,0]=4 1333 B3R0.1 NCCO 1P001G7D [2,0,0,0,0,0|1,0,0]=3 1334 B3R0.1 NCCO 1P002D2T [2,0,0,0,0,0|1,0,0]=3 1335 B3R0.1 NCCS 1P0033KV [2,0,0,0,0,0|1,1,0]=4 1336 B3R0.1 NCCS 1P0037H5 [2,0,0,0,0,0|1,1,0]=4 1337 B3R0.1 OCC#C 1P003UFM [2,0,0,0,0,0|0,0,2]=4 1338 B3R0.1 OCCBr 1P0033N1 [2,0,0,0,0,0|1,0,0]=3 1339 B3R0.1 OCCI 1P0037GU [2,0,0,0,0,0|1,0,0]=3 1340 B3R0.1 OCCO 1P0036BL [2,0,0,0,0,0|0,0,0]=2 1341 B3R0.1 OCCO 1P007OVX [2,0,0,0,0,0|0,0,0]=2 1342 B3R0.1 OCCS 1P0037WO [2,0,0,0,0,0|0,1,0]=3 1343 B3R0.1 SCCBr 1P00FHRB [2,0,0,0,0,0|1,1,0]=4 1344 B3R0.1 SCCS 1P00331H [2,0,0,0,0,0|0,2,0]=4 1345 B3R0.1 [C-]#[N+]CC 1P00EBTM [2,0,0,0,0,0|2,0,0]=4 1346 B3R0.1 [CH2-]CCC 1P003VLM [2,0,0,0,0,0|1,0,0]=3 1347 B3R0.1 [O-]CCC 1P00375V [2,0,0,0,0,0|0,0,1]=3 1348 B3R0.1 [O-]CCC 1P006XBD [2,0,0,0,0,0|0,0,1]=3 1349 B3R0.2 BN(C)C 1P003Q3O [2,0,0,0,0,0|2,0,0]=4 1350 B3R0.2 CB(O)O 1P000V65 [2,0,0,0,0,0|1,0,0]=3 1351 B3R0.2 CC(=O)O 1P000R54 [2,0,0,0,0,0|0,0,2]=4 1352 B3R0.2 CC(=O)O 1P0011AC [2,0,0,0,0,0|0,0,2]=4 1353 B3R0.2 CC(=O)O 1P001AGE [2,0,0,0,0,0|0,0,2]=4 1354 B3R0.2 CC(=O)O 1P002JJY [2,0,0,0,0,0|0,0,2]=4 1355 B3R0.2 CC(=O)O 1P0035F2 [2,0,0,0,0,0|0,0,2]=4 1356 B3R0.2 CC(=O)O 1P0036MT [2,0,0,0,0,0|0,0,2]=4 1357 B3R0.2 CC(=O)O 1P003PIJ [2,0,0,0,0,0|0,0,2]=4 1358 B3R0.2 CC(=O)O 1P003QZL [2,0,0,0,0,0|0,0,2]=4 1359 B3R0.2 CC(=O)O 1P00BXZ6 [2,0,0,0,0,0|0,0,2]=4 1360 B3R0.2 CC(=O)O 1P00D56H [2,0,0,0,0,0|0,0,2]=4 1361 B3R0.2 CC(=O)O 1P00ILYO [2,0,0,0,0,0|0,0,2]=4 1362 B3R0.2 CC(=O)O 1P00JKYL [2,0,0,0,0,0|0,0,2]=4 1363 B3R0.2 CC(=O)O 1P01DOOL [2,0,0,0,0,0|0,0,2]=4 1364 B3R0.2 CC(=S)O 1P00365H [2,0,0,0,0,0|0,1,1]=4 1365 B3R0.2 CC(Br)Br 1P003DOU [2,0,0,0,0,0|2,0,0]=4 1366 B3R0.2 CC(Br)C 1P0035IR [2,0,0,0,0,0|1,0,0]=3 1367 B3R0.2 CC(Br)Cl 1P003EJ5 [2,0,0,0,0,0|2,0,0]=4 1368 B3R0.2 CC(N)C 1P001OLC [2,0,0,0,0,0|1,0,0]=3 1369 B3R0.2 CC(N)C 1P00IMYX [2,0,0,0,0,0|1,0,0]=3 1370 B3R0.2 CC(O)C 1P001MMY [2,0,0,0,0,0|0,0,0]=2 1371 B3R0.2 CC(O)C 1P003OFY [2,0,0,0,0,0|0,0,0]=2 1372 B3R0.2 CC(O)C 1P007YD2 [2,0,0,0,0,0|0,0,0]=2 1373 B3R0.2 CC(O)C 1P00BEMS [2,0,0,0,0,0|0,0,0]=2 1374 B3R0.2 CC(S)C 1P003ICZ [2,0,0,0,0,0|0,1,0]=3 1375 B3R0.2 CN(C)C 1P003UXO [2,0,0,0,0,0|2,0,0]=4 1376 B3R0.2 CN(C)C 1P003VKD [2,0,0,0,0,0|2,0,0]=4 1377 B3R0.2 CN(N)C 1P003DPD [2,0,0,0,0,0|2,0,0]=4 1378 B3R0.2 CN(O)C 1P001X7Y [2,0,0,0,0,0|1,0,0]=3 1379 B3R0.2 CP(=O)C 1P00371X [2,0,0,0,0,0|1,0,1]=4 1380 B3R0.2 CP(C)C 1P003VKV [2,0,0,0,0,0|2,0,0]=4 1381 B3R0.2 CP(C)C 1P00AQDD [2,0,0,0,0,0|2,0,0]=4 1382 B3R0.2 CP(C)C 1P00I3BS [2,0,0,0,0,0|2,0,0]=4 1383 B3R0.2 CS(=O)C 1P0037AO [2,0,0,0,0,0|1,0,1]=4 1384 B3R0.2 C[Ga](C)C 1P001K3T [2,0,0,0,0,0|2,0,0]=4 1385 B3R0.2 C[In](C)C 1P007J3M [2,0,0,0,0,0|2,0,0]=4 1386 B3R0.2 C[N+](=C)C 1P003QEY [2,0,0,0,0,0|2,0,0]=4 1387 B3R0.2 C[Pt+](C)C 1P003RHM [2,0,0,0,0,0|2,0,0]=4 1388 B3R0.2 C[S+](Br)C 1P003P14 [2,0,0,0,0,0|2,0,0]=4 1389 B3R0.2 C[S+](C)C 1P0031Y2 [2,0,0,0,0,0|2,0,0]=4 1390 B3R0.2 C[S+](C)C 1P003VLA [2,0,0,0,0,0|2,0,0]=4 1391 B3R0.2 C[Se](=O)C 1P00DVQU [2,0,0,0,0,0|1,0,1]=4 1392 B3R0.2 C[Sn](=O)C 1P007OFO [2,0,0,0,0,0|1,0,1]=4 1393 B3R0.2 OB(O)O 1P0002FS [2,0,0,0,0,0|1,0,0]=3 1394 B3R0.2 OB(O)O 1P000QPO [2,0,0,0,0,0|1,0,0]=3 1395 B3R0.2 OC(=O)O 1P0013DE [2,0,0,0,0,0|0,0,2]=4 1396 B3R0.2 OC(=O)O 1P001M71 [2,0,0,0,0,0|0,0,2]=4 1397 B3R0.2 OC(=O)O 1P002KHE [2,0,0,0,0,0|0,0,2]=4 1398 B3R0.2 OC(=O)O 1P003P80 [2,0,0,0,0,0|0,0,2]=4 1399 B3R0.2 OC(=O)O 1P00IKVL [2,0,0,0,0,0|0,0,2]=4 1400 B3R0.2 OP(=O)O 1P003VGE [2,0,0,0,0,0|1,0,1]=4 1401 B3R0.2 OP(=O)O 1P009DQY [2,0,0,0,0,0|1,0,1]=4 1402 B3R0.2 OS(=O)O 1P00IDCS [2,0,0,0,0,0|1,0,1]=4 1403 B3R0.2 O[13C](=O)O 1P004M1T [2,0,0,0,0,0|0,0,2]=4 1404 B3R0.2 O[Bi](O)O 1P003OUD [2,0,0,0,0,0|1,0,0]=3 1405 B3R0.2 O[Cr](O)O 1P000VFV [2,0,0,0,0,0|1,0,0]=3 1406 B3R0.2 O[Fe](O)O 1P000VJV [2,0,0,0,0,0|1,0,0]=3 1407 B3R0.2 O[In](O)O 1P002J2D [2,0,0,0,0,0|1,0,0]=3 1408 B3R0.2 O[Se](=O)O 1P0057W7 [2,0,0,0,0,0|1,0,1]=4 1409 B3R0.2 O[Si](=O)O 1P00040Q [2,0,0,0,0,0|0,1,1]=4 1410 B3R0.2 [13CH3]C(=O)O 1P001P4Q [2,0,0,0,0,0|0,0,2]=4 1411 B3R0.2 [CH-]=C(C)C 1P00FGTR [2,0,0,0,0,0|1,0,1]=4 1412 B3R0.2 [O-]C(C)C 1P002KTZ [2,0,0,0,0,0|0,0,1]=3 1413 B3R0.2 [O-]C(C)C 1P0034X0 [2,0,0,0,0,0|0,0,1]=3 1414 B3R0.2 [O-]C(C)C 1P0036DB [2,0,0,0,0,0|0,0,1]=3 1415 B3R0.2 [O-]C(C)C 1P003PUL [2,0,0,0,0,0|0,0,1]=3 1416 B3R0.2 [O-]C(C)C 1P003VJH [2,0,0,0,0,0|0,0,1]=3 1417 B3R0.2 [O-]C(C)C 1P00I4OE [2,0,0,0,0,0|0,0,1]=3 1418 B5R0.1 BrCCC(Br)C 1P007W1R [1,1,0,0,0,0|2,0,0]=4 1419 B5R0.1 BrCCC(C)C 1P003EL0 [1,1,0,0,0,0|2,0,0]=4 1420 B5R0.1 CC(=C)CCO 1P003K67 [1,1,0,0,0,0|1,0,1]=4 1421 B5R0.1 CC(=C)CON 1P00DCMU [1,1,0,0,0,0|1,0,1]=4 1422 B5R0.1 CC(=O)CCO 1P0034IJ [1,1,0,0,0,0|0,0,2]=4 1423 B5R0.1 CC(=O)NCO 1P0037Q6 [1,1,0,0,0,0|0,0,2]=4 1424 B5R0.1 CC(C=NO)C 1P00AOPK [1,1,0,0,0,0|1,0,1]=4 1425 B5R0.1 CC(CC#C)Br 1P02911Q [1,1,0,0,0,0|2,0,0]=4 1426 B5R0.1 CC(CC#C)C 1P003M6F [1,1,0,0,0,0|2,0,0]=4 1427 B5R0.1 CC(CC#C)I 1P028G9A [1,1,0,0,0,0|2,0,0]=4 1428 B5R0.1 CC(CC#C)N 1P024W9R [1,1,0,0,0,0|2,0,0]=4 1429 B5R0.1 CC(CC#C)O 1P003MFB [1,1,0,0,0,0|1,0,0]=3 1430 B5R0.1 CC(CC#N)Br 1P002KSY [1,1,0,0,0,0|2,0,0]=4 1431 B5R0.1 CC(CC#N)C 1P003480 [1,1,0,0,0,0|2,0,0]=4 1432 B5R0.1 CC(CC#N)N 1P00DM06 [1,1,0,0,0,0|2,0,0]=4 1433 B5R0.1 CC(CC#N)O 1P003K13 [1,1,0,0,0,0|1,0,0]=3 1434 B5R0.1 CC(CC=C)Br 1P00CRRM [1,1,0,0,0,0|2,0,0]=4 1435 B5R0.1 CC(CC=C)I 1P027V5I [1,1,0,0,0,0|2,0,0]=4 1436 B5R0.1 CC(CC=C)N 1P01AJI0 [1,1,0,0,0,0|2,0,0]=4 1437 B5R0.1 CC(CC=C)O 1P003MEX [1,1,0,0,0,0|1,0,0]=3 1438 B5R0.1 CC(CCBr)F 1P01BH5M [1,1,0,0,0,0|2,0,0]=4 1439 B5R0.1 CC(CCBr)O 1P00EBF3 [1,1,0,0,0,0|1,0,0]=3 1440 B5R0.1 CC(CCCl)N 1P01BYC3 [1,1,0,0,0,0|2,0,0]=4 1441 B5R0.1 CC(CCCl)O 1P01B263 [1,1,0,0,0,0|1,0,0]=3 1442 B5R0.1 CC(CCN)Br 1P028AQ0 [1,1,0,0,0,0|2,0,0]=4 1443 B5R0.1 CC(CCN)F 1P01BCXC [1,1,0,0,0,0|2,0,0]=4 1444 B5R0.1 CC(CCN)O 1P00C8Q0 [1,1,0,0,0,0|1,0,0]=3 1445 B5R0.1 CC(CCN)S 1P01BU4X [1,1,0,0,0,0|1,1,0]=4 1446 B5R0.1 CC(CCO)Cl 1P01AV14 [1,1,0,0,0,0|1,0,0]=3 1447 B5R0.1 CC(CCO)F 1P0280HC [1,1,0,0,0,0|1,0,0]=3 1448 B5R0.1 CC(CCO)N 1P002WI2 [1,1,0,0,0,0|1,0,0]=3 1449 B5R0.1 CC(CCO)S 1P019RAT [1,1,0,0,0,0|0,1,0]=3 1450 B5R0.1 CC(CCS)N 1P028S04 [1,1,0,0,0,0|1,1,0]=4 1451 B5R0.1 CC(CNN)O 1P00757H [1,1,0,0,0,0|1,0,0]=3 1452 B5R0.1 CC(CON)O 1P00CNOF [1,1,0,0,0,0|0,0,0]=2 1453 B5R0.1 CC(CON)O 1P00IJ60 [1,1,0,0,0,0|0,0,0]=2 1454 B5R0.1 CC(C[N+]#[C-])C 1P01I7C4 [1,1,0,0,0,0|2,0,0]=4 1455 B5R0.1 CC(\C=N\O)C 1P01GJ99 [1,1,0,0,0,0|1,0,1]=4 1456 B5R0.1 CCCB(O)O 1P0025SU [1,1,0,0,0,0|2,0,0]=4 1457 B5R0.1 CCCC(Br)C 1P003BNB [1,1,0,0,0,0|2,0,0]=4 1458 B5R0.1 CCCC(N)C 1P003H0I [1,1,0,0,0,0|2,0,0]=4 1459 B5R0.1 CCCC(N)C 1P019VIM [1,1,0,0,0,0|2,0,0]=4 1460 B5R0.1 CCCC(O)C 1P00F3M1 [1,1,0,0,0,0|1,0,0]=3 1461 B5R0.1 CCCC(S)C 1P002K5F [1,1,0,0,0,0|1,1,0]=4 1462 B5R0.1 CCC[C@@H](N)C 1P003AOE [1,1,0,0,0,0|2,0,0]=4 1463 B5R0.1 CCC[C@@H](O)C 1P002SLB [1,1,0,0,0,0|1,0,0]=3 1464 B5R0.1 CCC[C@H](N)C 1P01DUMC [1,1,0,0,0,0|2,0,0]=4 1465 B5R0.1 CCC[C@H](O)C 1P0032K0 [1,1,0,0,0,0|1,0,0]=3 1466 B5R0.1 CCNC(C)C 1P002CP2 [1,1,0,0,0,0|2,0,0]=4 1467 B5R0.1 CCOC(C)C 1P003QW6 [1,1,0,0,0,0|2,0,0]=4 1468 B5R0.1 CCOC(Cl)C 1P00FMJI [1,1,0,0,0,0|2,0,0]=4 1469 B5R0.1 CCSC(C)C 1P003QW7 [1,1,0,0,0,0|2,0,0]=4 1470 B5R0.1 CN(CCO)N 1P028MN5 [1,1,0,0,0,0|2,0,0]=4 1471 B5R0.1 CNCC(C)C 1P003TOH [1,1,0,0,0,0|2,0,0]=4 1472 B5R0.1 CNCC(C)C 1P01A81L [1,1,0,0,0,0|2,0,0]=4 1473 B5R0.1 CNCC(N)C 1P019ZXS [1,1,0,0,0,0|2,0,0]=4 1474 B5R0.1 CNCC(O)C 1P001XCL [1,1,0,0,0,0|1,0,0]=3 1475 B5R0.1 CNC[C@@H](O)C 1P00FID0 [1,1,0,0,0,0|1,0,0]=3 1476 B5R0.1 CNC[C@@H](O)C 1P01BB67 [1,1,0,0,0,0|1,0,0]=3 1477 B5R0.1 CNC[C@H](O)C 1P00A1NI [1,1,0,0,0,0|1,0,0]=3 1478 B5R0.1 CNC[C@H](O)C 1P01BAVA [1,1,0,0,0,0|1,0,0]=3 1479 B5R0.1 COCC(=C)C 1P00CC6P [1,1,0,0,0,0|1,0,1]=4 1480 B5R0.1 COCC(=O)C 1P0035LL [1,1,0,0,0,0|0,0,2]=4 1481 B5R0.1 COCC(=O)O 1P0035LK [1,1,0,0,0,0|0,0,2]=4 1482 B5R0.1 COCC(Br)C 1P007OXE [1,1,0,0,0,0|1,0,0]=3 1483 B5R0.1 COCC(I)C 1P01C0MQ [1,1,0,0,0,0|1,0,0]=3 1484 B5R0.1 COCC(N)C 1P00IC7T [1,1,0,0,0,0|1,0,0]=3 1485 B5R0.1 COCC(O)C 1P003399 [1,1,0,0,0,0|0,0,0]=2 1486 B5R0.1 COCC(S)C 1P0289F0 [1,1,0,0,0,0|0,1,0]=3 1487 B5R0.1 COCN(C)C 1P00EJXU [1,1,0,0,0,0|2,0,0]=4 1488 B5R0.1 COC[C@@H](N)C 1P019T8E [1,1,0,0,0,0|1,0,0]=3 1489 B5R0.1 COC[C@@H](O)C 1P002U54 [1,1,0,0,0,0|0,0,0]=2 1490 B5R0.1 COC[C@H](N)C 1P003741 [1,1,0,0,0,0|1,0,0]=3 1491 B5R0.1 COC[C@H](N)C 1P003CJ4 [1,1,0,0,0,0|1,0,0]=3 1492 B5R0.1 COC[C@H](O)C 1P003960 [1,1,0,0,0,0|0,0,0]=2 1493 B5R0.1 CONC(C)C 1P01A1JI [1,1,0,0,0,0|2,0,0]=4 1494 B5R0.1 CSCC(N)C 1P018SKQ [1,1,0,0,0,0|1,1,0]=4 1495 B5R0.1 CSCC(O)C 1P00FVJJ [1,1,0,0,0,0|0,1,0]=3 1496 B5R0.1 CSC[C@@H](N)C 1P024Q9Z [1,1,0,0,0,0|1,1,0]=4 1497 B5R0.1 CSC[C@H](N)C 1P028CDR [1,1,0,0,0,0|1,1,0]=4 1498 B5R0.1 C[C@@H](CC#C)N 1P0285ZD [1,1,0,0,0,0|2,0,0]=4 1499 B5R0.1 C[C@@H](CC#N)N 1P003ASH [1,1,0,0,0,0|2,0,0]=4 1500 B5R0.1 C[C@@H](CC#N)O 1P000LF6 [1,1,0,0,0,0|1,0,0]=3 1501 B5R0.1 C[C@@H](CC=C)O 1P003CY3 [1,1,0,0,0,0|1,0,0]=3 1502 B5R0.1 C[C@@H](CCBr)F 1P028154 [1,1,0,0,0,0|2,0,0]=4 1503 B5R0.1 C[C@@H](CCBr)N 1P028GC5 [1,1,0,0,0,0|2,0,0]=4 1504 B5R0.1 C[C@@H](CCCl)N 1P027XJN [1,1,0,0,0,0|2,0,0]=4 1505 B5R0.1 C[C@@H](CCF)O 1P027YW7 [1,1,0,0,0,0|1,0,0]=3 1506 B5R0.1 C[C@@H](CCN)F 1P028TPL [1,1,0,0,0,0|2,0,0]=4 1507 B5R0.1 C[C@@H](CCN)O 1P01A1MV [1,1,0,0,0,0|1,0,0]=3 1508 B5R0.1 C[C@@H](CCO)F 1P027U2B [1,1,0,0,0,0|1,0,0]=3 1509 B5R0.1 C[C@@H](CCO)N 1P00392C [1,1,0,0,0,0|1,0,0]=3 1510 B5R0.1 C[C@H](CC#C)N 1P0283BU [1,1,0,0,0,0|2,0,0]=4 1511 B5R0.1 C[C@H](CC#N)N 1P0096SL [1,1,0,0,0,0|2,0,0]=4 1512 B5R0.1 C[C@H](CC#N)O 1P000NO3 [1,1,0,0,0,0|1,0,0]=3 1513 B5R0.1 C[C@H](CC=C)O 1P0032UG [1,1,0,0,0,0|1,0,0]=3 1514 B5R0.1 C[C@H](CCBr)F 1P02825X [1,1,0,0,0,0|2,0,0]=4 1515 B5R0.1 C[C@H](CCBr)N 1P028G9E [1,1,0,0,0,0|2,0,0]=4 1516 B5R0.1 C[C@H](CCCl)N 1P028D19 [1,1,0,0,0,0|2,0,0]=4 1517 B5R0.1 C[C@H](CCF)N 1P0285P3 [1,1,0,0,0,0|2,0,0]=4 1518 B5R0.1 C[C@H](CCF)O 1P027YXB [1,1,0,0,0,0|1,0,0]=3 1519 B5R0.1 C[C@H](CCN)O 1P00I0QG [1,1,0,0,0,0|1,0,0]=3 1520 B5R0.1 C[C@H](CCN)O 1P01A1MU [1,1,0,0,0,0|1,0,0]=3 1521 B5R0.1 C[C@H](CCO)F 1P0280GN [1,1,0,0,0,0|1,0,0]=3 1522 B5R0.1 C[C@H](CCO)N 1P003CQ7 [1,1,0,0,0,0|1,0,0]=3 1523 B5R0.1 C\C=C\C(O)C 1P003KBH [1,1,0,0,0,0|1,0,1]=4 1524 B5R0.1 ClCCC(C)C 1P003EON [1,1,0,0,0,0|2,0,0]=4 1525 B5R0.1 ClCCC(Cl)C 1P000PH8 [1,1,0,0,0,0|2,0,0]=4 1526 B5R0.1 ClCOC(C)C 1P0038H3 [1,1,0,0,0,0|2,0,0]=4 1527 B5R0.1 ClCSC(C)C 1P00ASCH [1,1,0,0,0,0|2,0,0]=4 1528 B5R0.1 ICCC(C)C 1P0035I5 [1,1,0,0,0,0|2,0,0]=4 1529 B5R0.1 NCCC(C)C 1P0035IO [1,1,0,0,0,0|2,0,0]=4 1530 B5R0.1 NCCC(C)C 1P00DNHQ [1,1,0,0,0,0|2,0,0]=4 1531 B5R0.1 NCCC(N)C 1P01AKTL [1,1,0,0,0,0|2,0,0]=4 1532 B5R0.1 NNCC(C)C 1P002ONR [1,1,0,0,0,0|2,0,0]=4 1533 B5R0.1 NNCC(C)C 1P00C79N [1,1,0,0,0,0|2,0,0]=4 1534 B5R0.1 NNCC(C)C 1P01A4K7 [1,1,0,0,0,0|2,0,0]=4 1535 B5R0.1 NNCC(N)C 1P01B8TM [1,1,0,0,0,0|2,0,0]=4 1536 B5R0.1 NOCC(=O)O 1P00291K [1,1,0,0,0,0|0,0,2]=4 1537 B5R0.1 NOCC(=O)O 1P002Y6G [1,1,0,0,0,0|0,0,2]=4 1538 B5R0.1 NOCC(=O)O 1P006TUD [1,1,0,0,0,0|0,0,2]=4 1539 B5R0.1 NOCC(C)C 1P003TXW [1,1,0,0,0,0|1,0,0]=3 1540 B5R0.1 NOCC(F)F 1P01AC2C [1,1,0,0,0,0|2,0,0]=4 1541 B5R0.1 O=CCC(C)C 1P003938 [1,1,0,0,0,0|1,0,1]=4 1542 B5R0.1 OCC=C(C)C 1P003K5R [1,1,0,0,0,0|1,0,1]=4 1543 B5R0.1 OCCC(=C)C 1P008NDS [1,1,0,0,0,0|1,0,1]=4 1544 B5R0.1 OCCC(=O)O 1P00387S [1,1,0,0,0,0|0,0,2]=4 1545 B5R0.1 OCCC(C)C 1P000KDR [1,1,0,0,0,0|1,0,0]=3 1546 B5R0.1 OCCC(F)F 1P01JVBV [1,1,0,0,0,0|2,0,0]=4 1547 B5R0.1 OCCC(O)C 1P003BUN [1,1,0,0,0,0|0,0,0]=2 1548 B5R0.1 OCCN(C)C 1P002QJK [1,1,0,0,0,0|2,0,0]=4 1549 B5R0.1 OCCN(C)C 1P0033C5 [1,1,0,0,0,0|2,0,0]=4 1550 B5R0.1 OCCN(C)C 1P00379C [1,1,0,0,0,0|2,0,0]=4 1551 B5R0.1 OCC[C@@H](O)C 1P002PAL [1,1,0,0,0,0|0,0,0]=2 1552 B5R0.1 OCC[C@H](O)C 1P0032U4 [1,1,0,0,0,0|0,0,0]=2 1553 B5R0.1 ONCC(=O)O 1P007CCU [1,1,0,0,0,0|0,0,2]=4 1554 B5R0.1 SCCC(C)C 1P003K55 [1,1,0,0,0,0|1,1,0]=4 1555 B5R0.4 BrCC(Br)(C)C 1P003DU7 [1,1,0,0,0,0|2,0,0]=4 1556 B5R0.4 BrCC(C)(C)C 1P003EJC [1,1,0,0,0,0|2,0,0]=4 1557 B5R0.4 BrCC(F)(C)C 1P002C53 [1,1,0,0,0,0|2,0,0]=4 1558 B5R0.4 BrCC(N)(C)C 1P01A4SE [1,1,0,0,0,0|2,0,0]=4 1559 B5R0.4 BrCC(O)(C)C 1P0039NU [1,1,0,0,0,0|1,0,0]=3 1560 B5R0.4 BrCP(=O)(O)O 1P01BBGE [1,1,0,0,0,0|2,0,0]=4 1561 B5R0.4 C#CC(O)(C)C 1P0038E2 [1,1,0,0,0,0|1,0,1]=4 1562 B5R0.4 C=CC(O)(C)C 1P000G0L [1,1,0,0,0,0|1,0,1]=4 1563 B5R0.4 CCC(C)(C)[O-] 1P003UC5 [1,1,0,0,0,0|1,0,1]=4 1564 B5R0.4 CCC(Cl)(C)C 1P003BNH [1,1,0,0,0,0|2,0,0]=4 1565 B5R0.4 CCC(I)(C)C 1P00EBFU [1,1,0,0,0,0|2,0,0]=4 1566 B5R0.4 CCC(N)(C)C 1P003UZC [1,1,0,0,0,0|2,0,0]=4 1567 B5R0.4 CCC(O)(C)C 1P001DZE [1,1,0,0,0,0|1,0,0]=3 1568 B5R0.4 CCC(O)(C)C 1P0033UL [1,1,0,0,0,0|1,0,0]=3 1569 B5R0.4 CCP(=O)(O)O 1P003R06 [1,1,0,0,0,0|2,0,0]=4 1570 B5R0.4 ClCC(C)(C)C 1P003TFH [1,1,0,0,0,0|2,0,0]=4 1571 B5R0.4 ClCC(Cl)(C)C 1P003DUU [1,1,0,0,0,0|2,0,0]=4 1572 B5R0.4 ClCC(N)(C)C 1P01BVY9 [1,1,0,0,0,0|2,0,0]=4 1573 B5R0.4 ClCC(O)(C)C 1P00337C [1,1,0,0,0,0|1,0,0]=3 1574 B5R0.4 ClCP(=O)(O)O 1P00387A [1,1,0,0,0,0|2,0,0]=4 1575 B5R0.4 FCC(N)(C)C 1P003BDH [1,1,0,0,0,0|2,0,0]=4 1576 B5R0.4 FCC(O)(C)C 1P01EC41 [1,1,0,0,0,0|1,0,0]=3 1577 B5R0.4 ICC(C)(C)C 1P001O15 [1,1,0,0,0,0|2,0,0]=4 1578 B5R0.4 ICC(F)(C)C 1P00I44K [1,1,0,0,0,0|2,0,0]=4 1579 B5R0.4 ICC(F)(F)C 1P01C8JZ [1,1,0,0,0,0|2,0,0]=4 1580 B5R0.4 ICC(O)(C)C 1P00BV3U [1,1,0,0,0,0|1,0,0]=3 1581 B5R0.4 NCC(Br)(C)C 1P01HK2M [1,1,0,0,0,0|2,0,0]=4 1582 B5R0.4 NCC(C)(C)C 1P001R1E [1,1,0,0,0,0|2,0,0]=4 1583 B5R0.4 NCC(C)(C)C 1P003TFK [1,1,0,0,0,0|2,0,0]=4 1584 B5R0.4 NCC(Cl)(C)C 1P028NZO [1,1,0,0,0,0|2,0,0]=4 1585 B5R0.4 NCC(F)(C)C 1P003B8M [1,1,0,0,0,0|2,0,0]=4 1586 B5R0.4 NCC(F)(F)C 1P0038UK [1,1,0,0,0,0|2,0,0]=4 1587 B5R0.4 NCC(N)(C)C 1P003316 [1,1,0,0,0,0|2,0,0]=4 1588 B5R0.4 NCC(N)(C)C 1P00ASB1 [1,1,0,0,0,0|2,0,0]=4 1589 B5R0.4 NCC(O)(C)C 1P002W4M [1,1,0,0,0,0|1,0,0]=3 1590 B5R0.4 NCC(S)(C)C 1P00334Y [1,1,0,0,0,0|1,1,0]=4 1591 B5R0.4 NCP(=O)(O)O 1P003CG3 [1,1,0,0,0,0|2,0,0]=4 1592 B5R0.4 OCC(Br)(Br)Br 1P005USY [1,1,0,0,0,0|2,0,0]=4 1593 B5R0.4 OCC(Br)(C)C 1P01ANW5 [1,1,0,0,0,0|1,0,0]=3 1594 B5R0.4 OCC(Br)(F)F 1P01B61M [1,1,0,0,0,0|2,0,0]=4 1595 B5R0.4 OCC(C)(C)C 1P003TFF [1,1,0,0,0,0|1,0,0]=3 1596 B5R0.4 OCC(Cl)(Cl)Cl 1P000G0K [1,1,0,0,0,0|2,0,0]=4 1597 B5R0.4 OCC(Cl)(F)F 1P00DD1U [1,1,0,0,0,0|2,0,0]=4 1598 B5R0.4 OCC(F)(C)C 1P0032KV [1,1,0,0,0,0|1,0,0]=3 1599 B5R0.4 OCC(F)(F)C 1P003FRM [1,1,0,0,0,0|1,0,0]=3 1600 B5R0.4 OCC(F)(F)F 1P001NQ5 [1,1,0,0,0,0|2,0,0]=4 1601 B5R0.4 OCC(F)(F)F 1P0038WQ [1,1,0,0,0,0|2,0,0]=4 1602 B5R0.4 OCC(N)(C)C 1P0033JI [1,1,0,0,0,0|1,0,0]=3 1603 B5R0.4 OCC(N)(C)C 1P003ABP [1,1,0,0,0,0|1,0,0]=3 1604 B5R0.4 OCC(O)(C)C 1P0033V2 [1,1,0,0,0,0|0,0,0]=2 1605 B5R0.4 OCC(S)(C)C 1P00FI08 [1,1,0,0,0,0|0,1,0]=3 1606 B5R0.4 OC[Si](C)(C)C 1P00BZAP [1,1,0,0,0,0|1,1,0]=4 1607 B5R0.4 ONC(C)(C)C 1P001X84 [1,1,0,0,0,0|2,0,0]=4 1608 B5R0.4 ONC(C)(C)C 1P0035VQ [1,1,0,0,0,0|2,0,0]=4 1609 B5R0.4 ONC(C)(C)C 1P003SWA [1,1,0,0,0,0|2,0,0]=4 1610 B5R0.4 OOC(C)(C)C 1P0059OU [1,1,0,0,0,0|2,0,0]=4 1611 B5R0.4 SCC(C)(C)C 1P007W5C [1,1,0,0,0,0|1,1,0]=4 1612 B5R0.4 SCC(F)(F)C 1P024URY [1,1,0,0,0,0|1,1,0]=4 1613 B5R0.4 SCC(N)(C)C 1P01I4GG [1,1,0,0,0,0|1,1,0]=4 1614 B5R0.4 SCC(O)(C)C 1P001ME2 [1,1,0,0,0,0|0,1,0]=3 1615 B5R0.5 CC(=C)C(O)C 1P007H42 [1,1,0,0,0,0|1,0,1]=4 1616 B5R0.5 CC(=O)C(O)C 1P00DMTO [1,1,0,0,0,0|0,0,2]=4 1617 B5R0.5 CC(C(=C)Br)O 1P027Y79 [1,1,0,0,0,0|1,0,1]=4 1618 B5R0.5 CC(C(=N)N)O 1P00H5D2 [1,1,0,0,0,0|1,0,1]=4 1619 B5R0.5 CC(C(=N)N)O 1P00J38B [1,1,0,0,0,0|1,0,1]=4 1620 B5R0.5 CC(C(=O)N)O 1P0029VL [1,1,0,0,0,0|0,0,2]=4 1621 B5R0.5 CC(C(=O)O)Br 1P003H9J [1,1,0,0,0,0|1,0,1]=4 1622 B5R0.5 CC(C(=O)O)C 1P003729 [1,1,0,0,0,0|1,0,1]=4 1623 B5R0.5 CC(C(=O)O)C 1P01D9JB [1,1,0,0,0,0|1,0,1]=4 1624 B5R0.5 CC(C(=O)O)F 1P0032QG [1,1,0,0,0,0|1,0,1]=4 1625 B5R0.5 CC(C(=O)O)N 1P01ELSY [1,1,0,0,0,0|1,0,1]=4 1626 B5R0.5 CC(C(=O)[O-])O 1P001SCZ [1,1,0,0,0,0|0,0,2]=4 1627 B5R0.5 CC(C(=O)[O-])O 1P002IGC [1,1,0,0,0,0|0,0,2]=4 1628 B5R0.5 CC(C(=O)[O-])O 1P002IGD [1,1,0,0,0,0|0,0,2]=4 1629 B5R0.5 CC(C(=O)[O-])O 1P003P4S [1,1,0,0,0,0|0,0,2]=4 1630 B5R0.5 CC(C(=O)[O-])O 1P00IAYP [1,1,0,0,0,0|0,0,2]=4 1631 B5R0.5 CC(C(=O)[O-])O 1P01KKX9 [1,1,0,0,0,0|0,0,2]=4 1632 B5R0.5 CC(C(=S)N)O 1P028CIM [1,1,0,0,0,0|0,1,1]=4 1633 B5R0.5 CC(C(Br)C)Br 1P003FXK [1,1,0,0,0,0|2,0,0]=4 1634 B5R0.5 CC(C(C)C)Br 1P0024QT [1,1,0,0,0,0|2,0,0]=4 1635 B5R0.5 CC(C(C)C)Cl 1P00ERNM [1,1,0,0,0,0|2,0,0]=4 1636 B5R0.5 CC(C(C)C)I 1P0024QS [1,1,0,0,0,0|2,0,0]=4 1637 B5R0.5 CC(C(C)C)N 1P003DVC [1,1,0,0,0,0|2,0,0]=4 1638 B5R0.5 CC(C(C)C)O 1P00E9KB [1,1,0,0,0,0|1,0,0]=3 1639 B5R0.5 CC(C(C)C)S 1P002K5G [1,1,0,0,0,0|1,1,0]=4 1640 B5R0.5 CC(C(Cl)C)Cl 1P003FY9 [1,1,0,0,0,0|2,0,0]=4 1641 B5R0.5 CC(C(F)F)N 1P019UJV [1,1,0,0,0,0|2,0,0]=4 1642 B5R0.5 CC(C(F)F)O 1P01B1S8 [1,1,0,0,0,0|1,0,0]=3 1643 B5R0.5 CC(C(N)C)Br 1P01B79U [1,1,0,0,0,0|2,0,0]=4 1644 B5R0.5 CC(C(N)C)Br 1P028TZD [1,1,0,0,0,0|2,0,0]=4 1645 B5R0.5 CC(C(N)C)F 1P0280UG [1,1,0,0,0,0|2,0,0]=4 1646 B5R0.5 CC(C(N)C)N 1P01BE8I [1,1,0,0,0,0|2,0,0]=4 1647 B5R0.5 CC(C(N)C)O 1P0072BN [1,1,0,0,0,0|1,0,0]=3 1648 B5R0.5 CC(C(O)C)Br 1P00ER4N [1,1,0,0,0,0|1,0,0]=3 1649 B5R0.5 CC(C(O)C)O 1P0032PK [1,1,0,0,0,0|0,0,0]=2 1650 B5R0.5 CC(C(O)C)S 1P003K2Y [1,1,0,0,0,0|0,1,0]=3 1651 B5R0.5 CC(C(S)C)S 1P003G00 [1,1,0,0,0,0|0,2,0]=4 1652 B5R0.5 C[C@@H](C(=N)N)O 1P009I1C [1,1,0,0,0,0|1,0,1]=4 1653 B5R0.5 C[C@@H](C(=O)N)O 1P003CUT [1,1,0,0,0,0|0,0,2]=4 1654 B5R0.5 C[C@@H](C(=O)O)Br 1P003CU9 [1,1,0,0,0,0|1,0,1]=4 1655 B5R0.5 C[C@@H](C(=O)O)Cl 1P002ZDF [1,1,0,0,0,0|1,0,1]=4 1656 B5R0.5 C[C@@H](C(=O)O)F 1P00F1Z5 [1,1,0,0,0,0|1,0,1]=4 1657 B5R0.5 C[C@@H](C(=O)O)N 1P003RNW [1,1,0,0,0,0|1,0,1]=4 1658 B5R0.5 C[C@@H](C(=O)O)N 1P00E9HQ [1,1,0,0,0,0|1,0,1]=4 1659 B5R0.5 C[C@@H](C(C)C)N 1P00J87H [1,1,0,0,0,0|2,0,0]=4 1660 B5R0.5 C[C@@H](C(C)C)O 1P003CXX [1,1,0,0,0,0|1,0,0]=3 1661 B5R0.5 C[C@@H](C(F)F)N 1P028N2I [1,1,0,0,0,0|2,0,0]=4 1662 B5R0.5 C[C@@H](O)[C@@H](N)C 1P01FWSW [1,1,0,0,0,0|1,0,0]=3 1663 B5R0.5 C[C@@H]([C@@H](N)C)O 1P01OML7 [1,1,0,0,0,0|1,0,0]=3 1664 B5R0.5 C[C@@H]([C@@H](O)C)O 1P0032YC [1,1,0,0,0,0|0,0,0]=2 1665 B5R0.5 C[C@@H]([C@H](N)C)O 1P024HCX [1,1,0,0,0,0|1,0,0]=3 1666 B5R0.5 C[C@H](C(=N)N)O 1P00CJEK [1,1,0,0,0,0|1,0,1]=4 1667 B5R0.5 C[C@H](C(=O)N)O 1P003CML [1,1,0,0,0,0|0,0,2]=4 1668 B5R0.5 C[C@H](C(=O)O)Br 1P0001CR [1,1,0,0,0,0|1,0,1]=4 1669 B5R0.5 C[C@H](C(=O)O)Cl 1P003BFE [1,1,0,0,0,0|1,0,1]=4 1670 B5R0.5 C[C@H](C(=O)O)N 1P003559 [1,1,0,0,0,0|1,0,1]=4 1671 B5R0.5 C[C@H](C(=O)O)S 1P007HM9 [1,1,0,0,0,0|0,1,1]=4 1672 B5R0.5 C[C@H](C(C)C)N 1P01DH3B [1,1,0,0,0,0|2,0,0]=4 1673 B5R0.5 C[C@H](C(C)C)O 1P001PQR [1,1,0,0,0,0|1,0,0]=3 1674 B5R0.5 C[C@H](C(F)F)N 1P01XBK2 [1,1,0,0,0,0|2,0,0]=4 1675 B5R0.5 C[C@H]([C@@H](Br)C)Br 1P003RXY [1,1,0,0,0,0|2,0,0]=4 1676 B5R0.5 C[C@H]([C@H](O)C)O 1P0032W8 [1,1,0,0,0,0|0,0,0]=2 1677 B5R0.5 N[C@@H]([C@@H](C)O)C 1P01FWSS [1,1,0,0,0,0|1,0,0]=3 1678 B5R0.5 OB(B(O)O)O 1P0012RL [1,1,0,0,0,0|2,0,0]=4 1679 B5R0.5 OB(C(C)C)O 1P0036Y4 [1,1,0,0,0,0|2,0,0]=4 1680 B5R0.5 OC(=O)C(O)C 1P00388A [1,1,0,0,0,0|0,0,1]=3 1681 B5R0.5 OC(=O)C(O)C 1P003P5C [1,1,0,0,0,0|0,0,1]=3 1682 B5R0.5 OC(=O)C(O)N 1P0070X0 [1,1,0,0,0,0|0,0,2]=4 1683 B5R0.5 OC(=O)C(O)O 1P0037OI [1,1,0,0,0,0|0,0,1]=3 1684 B5R0.5 OC(=O)[C@@H](O)C 1P003AT9 [1,1,0,0,0,0|0,0,1]=3 1685 B5R0.5 OC(=O)[C@H](O)C 1P003PO7 [1,1,0,0,0,0|0,0,1]=3 1686 B5R0.5 OC(C(Cl)Cl)O 1P001VWN [1,1,0,0,0,0|1,0,0]=3 1687 B5R0.5 [O-]C(=O)C(O)C 1P005SQF [1,1,0,0,0,0|0,0,2]=4 1688 B5R0.5 [O-]C(=O)C(O)C 1P0069SJ [1,1,0,0,0,0|0,0,2]=4 1689 B5R0.5 [O-]C(=O)C(O)C 1P008FOG [1,1,0,0,0,0|0,0,2]=4 1690 B5R0.5 [O-]C(=O)[C@@H](O)C 1P002VDW [1,1,0,0,0,0|0,0,2]=4 1691 B5R0.5 [O-]C(=O)[C@@H](O)C 1P004KNK [1,1,0,0,0,0|0,0,2]=4 1692 B5R0.5 [O-]C(=O)[C@@H](O)C 1P00IM0T [1,1,0,0,0,0|0,0,2]=4 1693 B5R0.5 [O-]C(=O)[C@H](O)C 1P002VDV [1,1,0,0,0,0|0,0,2]=4 1694 B5R0.5 [O-]C(=O)[C@H](O)C 1P003USZ [1,1,0,0,0,0|0,0,2]=4 1695 B5R0.2 BrCCCC#C 1P0038L0 [1,1,0,0,0,0|2,0,0]=4 1696 B5R0.2 BrCCCC#N 1P003680 [1,1,0,0,0,0|2,0,0]=4 1697 B5R0.2 BrCCCC=C 1P0034NV [1,1,0,0,0,0|2,0,0]=4 1698 B5R0.2 BrCCCC=O 1P01A6RF [1,1,0,0,0,0|1,0,1]=4 1699 B5R0.2 BrCCCCBr 1P00333E [1,1,0,0,0,0|2,0,0]=4 1700 B5R0.2 BrCCNCC 1P028CH9 [1,1,0,0,0,0|2,0,0]=4 1701 B5R0.2 BrCCOCC 1P00IAZI [1,1,0,0,0,0|2,0,0]=4 1702 B5R0.2 BrCCOCCl 1P001E9S [1,1,0,0,0,0|2,0,0]=4 1703 B5R0.2 BrCCSCC 1P01A541 [1,1,0,0,0,0|2,0,0]=4 1704 B5R0.2 CC#CCCO 1P0007L9 [1,1,0,0,0,0|1,0,1]=4 1705 B5R0.2 CCC#CCO 1P003BQ5 [1,1,0,0,0,0|1,0,1]=4 1706 B5R0.2 CCCCC#C 1P003EUT [1,1,0,0,0,0|2,0,0]=4 1707 B5R0.2 CCCCC#N 1P0039FZ [1,1,0,0,0,0|2,0,0]=4 1708 B5R0.2 CCCCC=O 1P003VQU [1,1,0,0,0,0|1,0,1]=4 1709 B5R0.2 CCCCCCl 1P003EPF [1,1,0,0,0,0|2,0,0]=4 1710 B5R0.2 CCCCCF 1P003ET1 [1,1,0,0,0,0|2,0,0]=4 1711 B5R0.2 CCCCCI 1P003EWK [1,1,0,0,0,0|2,0,0]=4 1712 B5R0.2 CCCCCN 1P003OCQ [1,1,0,0,0,0|2,0,0]=4 1713 B5R0.2 CCCCCN 1P01XEUV [1,1,0,0,0,0|2,0,0]=4 1714 B5R0.2 CCCCCS 1P003F1Y [1,1,0,0,0,0|1,1,0]=4 1715 B5R0.2 CCCCNC 1P003TNV [1,1,0,0,0,0|2,0,0]=4 1716 B5R0.2 CCCCNN 1P00CJP0 [1,1,0,0,0,0|2,0,0]=4 1717 B5R0.2 CCCCNO 1P01BKUP [1,1,0,0,0,0|1,0,0]=3 1718 B5R0.2 CCCCON 1P003TWH [1,1,0,0,0,0|1,0,0]=3 1719 B5R0.2 CCCCON 1P003TWI [1,1,0,0,0,0|1,0,0]=3 1720 B5R0.2 CCCC[Mg]Cl 1P00351G [1,1,0,0,0,0|2,0,0]=4 1721 B5R0.2 CCCNOC 1P02867D [1,1,0,0,0,0|2,0,0]=4 1722 B5R0.2 CCCOCBr 1P019UI6 [1,1,0,0,0,0|2,0,0]=4 1723 B5R0.2 CCCOCCl 1P01C0RR [1,1,0,0,0,0|2,0,0]=4 1724 B5R0.2 CCNCCC 1P003THE [1,1,0,0,0,0|2,0,0]=4 1725 B5R0.2 CCSCCC 1P003QWW [1,1,0,0,0,0|2,0,0]=4 1726 B5R0.2 CC\C=C/CO 1P001Q0D [1,1,0,0,0,0|1,0,1]=4 1727 B5R0.2 CNCCCBr 1P01BI71 [1,1,0,0,0,0|2,0,0]=4 1728 B5R0.2 CNCCCCl 1P0038YX [1,1,0,0,0,0|2,0,0]=4 1729 B5R0.2 CNCCCF 1P01BITB [1,1,0,0,0,0|2,0,0]=4 1730 B5R0.2 CNCCCN 1P0035UU [1,1,0,0,0,0|2,0,0]=4 1731 B5R0.2 CNCCCO 1P003IPD [1,1,0,0,0,0|1,0,0]=3 1732 B5R0.2 CNCCOC 1P0035QY [1,1,0,0,0,0|2,0,0]=4 1733 B5R0.2 CNCCOC 1P009AD0 [1,1,0,0,0,0|2,0,0]=4 1734 B5R0.2 COCCC#C 1P0038EG [1,1,0,0,0,0|1,0,1]=4 1735 B5R0.2 COCCC#N 1P003K4P [1,1,0,0,0,0|1,0,1]=4 1736 B5R0.2 COCCC=C 1P01B6VT [1,1,0,0,0,0|1,0,1]=4 1737 B5R0.2 COCCC=O 1P007M22 [1,1,0,0,0,0|0,0,2]=4 1738 B5R0.2 COCCCBr 1P00336E [1,1,0,0,0,0|1,0,0]=3 1739 B5R0.2 COCCCCl 1P00337F [1,1,0,0,0,0|1,0,0]=3 1740 B5R0.2 COCCCI 1P00EKFX [1,1,0,0,0,0|1,0,0]=3 1741 B5R0.2 COCCCN 1P0038DG [1,1,0,0,0,0|1,0,0]=3 1742 B5R0.2 COCCCO 1P001RGO [1,1,0,0,0,0|0,0,0]=2 1743 B5R0.2 COCCCS 1P01AA5Q [1,1,0,0,0,0|0,1,0]=3 1744 B5R0.2 COCCNN 1P003AQP [1,1,0,0,0,0|2,0,0]=4 1745 B5R0.2 COCCNN 1P00IFMC [1,1,0,0,0,0|2,0,0]=4 1746 B5R0.2 COCCNO 1P0285VP [1,1,0,0,0,0|1,0,0]=3 1747 B5R0.2 COCCOC 1P002VSH [1,1,0,0,0,0|2,0,0]=4 1748 B5R0.2 COCCOC 1P00331J [1,1,0,0,0,0|2,0,0]=4 1749 B5R0.2 COCCOC 1P00C2HL [1,1,0,0,0,0|2,0,0]=4 1750 B5R0.2 COCCON 1P00DIDG [1,1,0,0,0,0|2,0,0]=4 1751 B5R0.2 COCCSC 1P01HW79 [1,1,0,0,0,0|2,0,0]=4 1752 B5R0.2 CONCCO 1P01DWXD [1,1,0,0,0,0|1,0,0]=3 1753 B5R0.2 CSCCCBr 1P01ALFA [1,1,0,0,0,0|1,1,0]=4 1754 B5R0.2 CSCCCCl 1P000UI5 [1,1,0,0,0,0|1,1,0]=4 1755 B5R0.2 CSCCCN 1P003IQ4 [1,1,0,0,0,0|1,1,0]=4 1756 B5R0.2 CSCCCN 1P01JMHA [1,1,0,0,0,0|1,1,0]=4 1757 B5R0.2 CSCCCO 1P00I9J4 [1,1,0,0,0,0|0,1,0]=3 1758 B5R0.2 CSCCCS 1P01C2PP [1,1,0,0,0,0|0,2,0]=4 1759 B5R0.2 CSCCON 1P01BHJA [1,1,0,0,0,0|2,0,0]=4 1760 B5R0.2 C\C=C\CCO 1P008QP2 [1,1,0,0,0,0|1,0,1]=4 1761 B5R0.2 ClCCCC#C 1P0034PE [1,1,0,0,0,0|2,0,0]=4 1762 B5R0.2 ClCCCC#N 1P003LNR [1,1,0,0,0,0|2,0,0]=4 1763 B5R0.2 ClCCCC=C 1P00GTCI [1,1,0,0,0,0|2,0,0]=4 1764 B5R0.2 ClCCCC=O 1P00EH8M [1,1,0,0,0,0|1,0,1]=4 1765 B5R0.2 ClCCCCBr 1P00336I [1,1,0,0,0,0|2,0,0]=4 1766 B5R0.2 ClCCCCCl 1P00333I [1,1,0,0,0,0|2,0,0]=4 1767 B5R0.2 ClCCCCI 1P003BI5 [1,1,0,0,0,0|2,0,0]=4 1768 B5R0.2 ClCCNCC 1P01C5GK [1,1,0,0,0,0|2,0,0]=4 1769 B5R0.2 ClCCOCC 1P0033PX [1,1,0,0,0,0|2,0,0]=4 1770 B5R0.2 ClCCSCC 1P003HIZ [1,1,0,0,0,0|2,0,0]=4 1771 B5R0.2 ClCOCCCl 1P003HIY [1,1,0,0,0,0|2,0,0]=4 1772 B5R0.2 FCCCCBr 1P0032OZ [1,1,0,0,0,0|2,0,0]=4 1773 B5R0.2 FCCNCC 1P00GMCK [1,1,0,0,0,0|2,0,0]=4 1774 B5R0.2 FCCOCCl 1P0292DM [1,1,0,0,0,0|2,0,0]=4 1775 B5R0.2 ICCCC#C 1P00BV4G [1,1,0,0,0,0|2,0,0]=4 1776 B5R0.2 ICCCC#N 1P00FBO9 [1,1,0,0,0,0|2,0,0]=4 1777 B5R0.2 ICCCC=C 1P005H24 [1,1,0,0,0,0|2,0,0]=4 1778 B5R0.2 ICCCCI 1P00IBJX [1,1,0,0,0,0|2,0,0]=4 1779 B5R0.2 ICCOCC 1P01BFOP [1,1,0,0,0,0|2,0,0]=4 1780 B5R0.2 NCC#CCO 1P019TZ6 [1,1,0,0,0,0|1,0,1]=4 1781 B5R0.2 NCC#CCO 1P019TZ7 [1,1,0,0,0,0|1,0,1]=4 1782 B5R0.2 NCCCC#C 1P001ZT0 [1,1,0,0,0,0|2,0,0]=4 1783 B5R0.2 NCCCC#C 1P003MFA [1,1,0,0,0,0|2,0,0]=4 1784 B5R0.2 NCCCC#N 1P00ANVJ [1,1,0,0,0,0|2,0,0]=4 1785 B5R0.2 NCCCC=C 1P002UI5 [1,1,0,0,0,0|2,0,0]=4 1786 B5R0.2 NCCCC=C 1P00BFBD [1,1,0,0,0,0|2,0,0]=4 1787 B5R0.2 NCCCCBr 1P002P1X [1,1,0,0,0,0|2,0,0]=4 1788 B5R0.2 NCCCCCl 1P00IBTD [1,1,0,0,0,0|2,0,0]=4 1789 B5R0.2 NCCCCF 1P01ALJC [1,1,0,0,0,0|2,0,0]=4 1790 B5R0.2 NCCCCN 1P003337 [1,1,0,0,0,0|2,0,0]=4 1791 B5R0.2 NCCCCO 1P0014XR [1,1,0,0,0,0|1,0,0]=3 1792 B5R0.2 NCCCCS 1P002LKU [1,1,0,0,0,0|1,1,0]=4 1793 B5R0.2 NCCCNO 1P01BDE6 [1,1,0,0,0,0|1,0,0]=3 1794 B5R0.2 NCCCON 1P0203AF [1,1,0,0,0,0|1,0,0]=3 1795 B5R0.2 NCCNCC 1P003TGX [1,1,0,0,0,0|2,0,0]=4 1796 B5R0.2 NCCNOC 1P028AHO [1,1,0,0,0,0|2,0,0]=4 1797 B5R0.2 NCCOCC 1P0033R7 [1,1,0,0,0,0|2,0,0]=4 1798 B5R0.2 NCCSCC 1P003FIX [1,1,0,0,0,0|2,0,0]=4 1799 B5R0.2 NCCSCC 1P003FIY [1,1,0,0,0,0|2,0,0]=4 1800 B5R0.2 NNCCCO 1P00HJ6S [1,1,0,0,0,0|1,0,0]=3 1801 B5R0.2 NOCCC#C 1P0292BC [1,1,0,0,0,0|1,0,1]=4 1802 B5R0.2 NOCCC=C 1P00HD56 [1,1,0,0,0,0|1,0,1]=4 1803 B5R0.2 NOCCCO 1P00D5H1 [1,1,0,0,0,0|0,0,0]=2 1804 B5R0.2 NOCCCS 1P008XGG [1,1,0,0,0,0|0,1,0]=3 1805 B5R0.2 NOCCON 1P01FNLH [1,1,0,0,0,0|2,0,0]=4 1806 B5R0.2 OCC#CCBr 1P01EN2I [1,1,0,0,0,0|1,0,1]=4 1807 B5R0.2 OCC#CCCl 1P0011O3 [1,1,0,0,0,0|1,0,1]=4 1808 B5R0.2 OCC#CCO 1P003HAN [1,1,0,0,0,0|0,0,1]=3 1809 B5R0.2 OCC#CCO 1P004VS3 [1,1,0,0,0,0|0,0,1]=3 1810 B5R0.2 OCC=CCO 1P00G3JG [1,1,0,0,0,0|0,0,1]=3 1811 B5R0.2 OCCCC#C 1P0034LD [1,1,0,0,0,0|1,0,0]=3 1812 B5R0.2 OCCCC#C 1P005XW2 [1,1,0,0,0,0|1,0,0]=3 1813 B5R0.2 OCCCC#N 1P00EBTB [1,1,0,0,0,0|1,0,0]=3 1814 B5R0.2 OCCCC=C 1P004WX4 [1,1,0,0,0,0|1,0,0]=3 1815 B5R0.2 OCCCC=O 1P00BGD0 [1,1,0,0,0,0|0,0,1]=3 1816 B5R0.2 OCCCCBr 1P0037UC [1,1,0,0,0,0|1,0,0]=3 1817 B5R0.2 OCCCCCl 1P0034FN [1,1,0,0,0,0|1,0,0]=3 1818 B5R0.2 OCCCCF 1P00C0MQ [1,1,0,0,0,0|1,0,0]=3 1819 B5R0.2 OCCCCI 1P00CN85 [1,1,0,0,0,0|1,0,0]=3 1820 B5R0.2 OCCCCO 1P01HWSN [1,1,0,0,0,0|0,0,0]=2 1821 B5R0.2 OCCCCS 1P001MEH [1,1,0,0,0,0|0,1,0]=3 1822 B5R0.2 OCCNCC 1P0033C9 [1,1,0,0,0,0|1,0,0]=3 1823 B5R0.2 OCCNCC 1P01AHV6 [1,1,0,0,0,0|1,0,0]=3 1824 B5R0.2 OCCOC=C 1P003QZ8 [1,1,0,0,0,0|1,0,1]=4 1825 B5R0.2 OCCOC=O 1P00EL36 [1,1,0,0,0,0|0,0,2]=4 1826 B5R0.2 OCCOCC 1P0032R3 [1,1,0,0,0,0|1,0,0]=3 1827 B5R0.2 OCCSCC 1P003QKZ [1,1,0,0,0,0|1,0,0]=3 1828 B5R0.2 OCNCCO 1P003GOV [1,1,0,0,0,0|0,0,0]=2 1829 B5R0.2 OC\C=C/CO 1P0032YH [1,1,0,0,0,0|0,0,1]=3 1830 B5R0.2 OC\C=C\CCl 1P01GA5D [1,1,0,0,0,0|1,0,1]=4 1831 B5R0.2 OC\C=C\CO 1P0033NQ [1,1,0,0,0,0|0,0,1]=3 1832 B5R0.2 ONCCC#C 1P0280XO [1,1,0,0,0,0|1,0,1]=4 1833 B5R0.2 ONCCC=C 1P0282HY [1,1,0,0,0,0|1,0,1]=4 1834 B5R0.2 SCCCCS 1P000INJ [1,1,0,0,0,0|0,2,0]=4 1835 B5R0.2 SCCNCC 1P028BVX [1,1,0,0,0,0|1,1,0]=4 1836 B5R0.2 SCCOCC 1P001ZJN [1,1,0,0,0,0|1,1,0]=4 1837 B5R0.2 SCCSCC 1P007L7A [1,1,0,0,0,0|1,1,0]=4 1838 B5R0.2 [C-]#[N+]CCCC 1P002UXG [1,1,0,0,0,0|2,0,0]=4 1839 B5R0.2 [C-]#[N+]CCOC 1P00D8L3 [1,1,0,0,0,0|2,0,0]=4 1840 B7R0.2 CC(=C)CC(CO)N 1P01BIQ2 [0,2,0,0,0,0|2,0,0]=4 1841 B7R0.2 CC(CC)CC(=O)O 1P00359B [0,2,0,0,0,0|2,0,0]=4 1842 B7R0.2 CC(CF)CC(=O)O 1P01SVBB [0,2,0,0,0,0|2,0,0]=4 1843 B7R0.2 CC(CN)CC(=O)O 1P01A0Y2 [0,2,0,0,0,0|2,0,0]=4 1844 B7R0.2 CC(CN)CC(O)C 1P01AKSU [0,2,0,0,0,0|2,0,0]=4 1845 B7R0.2 CCC(CB(O)O)C 1P01B2LX [0,2,0,0,0,0|2,0,0]=4 1846 B7R0.2 CCC(CC(=O)O)N 1P003ANY [0,2,0,0,0,0|2,0,0]=4 1847 B7R0.2 CCC(CC(=O)O)N 1P00AQ4O [0,2,0,0,0,0|2,0,0]=4 1848 B7R0.2 CCC(CC(=O)O)O 1P0007RC [0,2,0,0,0,0|1,0,0]=3 1849 B7R0.2 CCC(CC(O)C)N 1P01BRXC [0,2,0,0,0,0|2,0,0]=4 1850 B7R0.2 CCC(CN(C)C)O 1P01C0YO [0,2,0,0,0,0|2,0,0]=4 1851 B7R0.2 CC[C@@H](CC(=O)O)N 1P001J1T [0,2,0,0,0,0|2,0,0]=4 1852 B7R0.2 CC[C@@H](CC(=O)O)N 1P01DTYS [0,2,0,0,0,0|2,0,0]=4 1853 B7R0.2 CC[C@@H](CC(=O)O)O 1P01EKL5 [0,2,0,0,0,0|1,0,0]=3 1854 B7R0.2 CC[C@H](CC(=O)O)N 1P00IJD7 [0,2,0,0,0,0|2,0,0]=4 1855 B7R0.2 CC[C@H](CC(=O)O)O 1P01EKMU [0,2,0,0,0,0|1,0,0]=3 1856 B7R0.2 C[C@@H](CC)CC(=O)O 1P007CFN [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.2 C[C@H](CC)CC(=O)O 1P00AQ4A [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.2 C[C@H](CN)CC(=O)O 1P01BS0C [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.2 FCC(CN(C)C)O 1P01SHBX [0,2,0,0,0,0|2,0,0]=4 1860 B7R0.2 NCC(CC(=O)O)N 1P01AIHR [0,2,0,0,0,0|2,0,0]=4 1861 B7R0.2 NCC(CC(=O)O)O 1P0036KT [0,2,0,0,0,0|1,0,0]=3 1862 B7R0.2 NCC(CC(C)C)O 1P01AKJN [0,2,0,0,0,0|2,0,0]=4 1863 B7R0.2 NCC(CN(C)C)O 1P00DL1G [0,2,0,0,0,0|2,0,0]=4 1864 B7R0.2 NC[C@@H](CC(=O)O)C 1P01C10F [0,2,0,0,0,0|2,0,0]=4 1865 B7R0.2 NC[C@@H](CC(=O)O)O 1P00FBR6 [0,2,0,0,0,0|1,0,0]=3 1866 B7R0.2 NC[C@@H](CN(C)C)O 1P028UG1 [0,2,0,0,0,0|2,0,0]=4 1867 B7R0.2 NC[C@H](CC(=O)O)O 1P0032WR [0,2,0,0,0,0|1,0,0]=3 1868 B7R0.2 NC[C@H](CC(C)C)O 1P02843Z [0,2,0,0,0,0|2,0,0]=4 1869 B7R0.2 OCC(CC(=O)O)N 1P00EDPJ [0,2,0,0,0,0|1,0,0]=3 1870 B7R0.2 OCC(CC(C)C)C 1P00EBG5 [0,2,0,0,0,0|2,0,0]=4 1871 B7R0.2 OCC(CC(C)C)N 1P001US9 [0,2,0,0,0,0|2,0,0]=4 1872 B7R0.2 OCC(CC(F)F)C 1P01C339 [0,2,0,0,0,0|2,0,0]=4 1873 B7R0.2 OCC(CC(F)F)N 1P01BDL3 [0,2,0,0,0,0|2,0,0]=4 1874 B7R0.2 OCC(CN(C)C)C 1P00C907 [0,2,0,0,0,0|2,0,0]=4 1875 B7R0.2 OCC(CN(C)C)F 1P028TBJ [0,2,0,0,0,0|2,0,0]=4 1876 B7R0.2 OCC(CN(C)C)N 1P01BBOU [0,2,0,0,0,0|2,0,0]=4 1877 B7R0.2 OCC(CN(C)C)O 1P003JTV [0,2,0,0,0,0|1,0,0]=3 1878 B7R0.2 OC[C@@H](CC(=O)O)N 1P001VOE [0,2,0,0,0,0|1,0,0]=3 1879 B7R0.2 OC[C@@H](CC(C)C)N 1P00IA06 [0,2,0,0,0,0|2,0,0]=4 1880 B7R0.2 OC[C@@H](CC(F)F)O 1P028BR6 [0,2,0,0,0,0|1,0,0]=3 1881 B7R0.2 OC[C@@H](CN(C)C)N 1P028NX5 [0,2,0,0,0,0|2,0,0]=4 1882 B7R0.2 OC[C@@H](CN(C)C)O 1P00G1XW [0,2,0,0,0,0|1,0,0]=3 1883 B7R0.2 OC[C@@H](NC(C)C)C 1P000ZDO [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.2 OC[C@H](CC(=O)O)N 1P001VOD [0,2,0,0,0,0|1,0,0]=3 1885 B7R0.2 OC[C@H](CC(C)C)N 1P003CX1 [0,2,0,0,0,0|2,0,0]=4 1886 B7R0.2 OC[C@H](CC(F)F)O 1P028CDS [0,2,0,0,0,0|1,0,0]=3 1887 B7R0.2 OC[C@H](CN(C)C)N 1P02924Y [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.2 OC[C@H](NC(C)C)C 1P0292CN [0,2,0,0,0,0|2,0,0]=4 1889 B7R0.2 O[C@H](CF)CC(=O)O 1P029037 [0,2,0,0,0,0|1,0,0]=3 1890 B7R0.2 [O-]C(=O)CC(CO)C 1P01EMTK [0,2,0,0,0,0|1,0,1]=4 1891 B7R0.2 [O-][N+](=O)CC(CC)O 1P01C9RE [0,2,0,0,0,0|1,0,1]=4 1892 B7R0.3 CC#CCC(CO)N 1P01C5I3 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.3 CC(CN)CCOC 1P01C3CP [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.3 CC(CO)CCNC 1P02823V [0,2,0,0,0,0|2,0,0]=4 1895 B7R0.3 CC(CO)CCNC 1P0282JF [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.3 CCC(CCC#C)O 1P01A0SZ [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.3 CCC(CCC=C)O 1P002BKB [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.3 CCCCC(CBr)O 1P006UE4 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.3 CCCCC(CC)O 1P003RBN [0,2,0,0,0,0|2,0,0]=4 1900 B7R0.3 CCCCC(CN)O 1P01APZ7 [0,2,0,0,0,0|2,0,0]=4 1901 B7R0.3 CCCCC(CO)C 1P00EBF2 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.3 CCCCC(CO)N 1P01S6TK [0,2,0,0,0,0|2,0,0]=4 1903 B7R0.3 CCCCC(CO)O 1P003Q98 [0,2,0,0,0,0|1,0,0]=3 1904 B7R0.3 CCCC[C@@H](CO)N 1P003CWX [0,2,0,0,0,0|2,0,0]=4 1905 B7R0.3 CCCC[C@H](CO)N 1P001RA5 [0,2,0,0,0,0|2,0,0]=4 1906 B7R0.3 CCCC[C@H](CO)N 1P003QBM [0,2,0,0,0,0|2,0,0]=4 1907 B7R0.3 CCCNC(CO)C 1P006VOO [0,2,0,0,0,0|2,0,0]=4 1908 B7R0.3 CCNCC(CC)O 1P005O12 [0,2,0,0,0,0|2,0,0]=4 1909 B7R0.3 CCNCC(CF)O 1P0290C8 [0,2,0,0,0,0|2,0,0]=4 1910 B7R0.3 CCNCC(CO)O 1P002B9E [0,2,0,0,0,0|1,0,0]=3 1911 B7R0.3 CCNC[C@@H](CC)O 1P0286VM [0,2,0,0,0,0|2,0,0]=4 1912 B7R0.3 CCNC[C@H](CC)O 1P028WZV [0,2,0,0,0,0|2,0,0]=4 1913 B7R0.3 CCOCC(CN)C 1P028P90 [0,2,0,0,0,0|2,0,0]=4 1914 B7R0.3 CCOCC(CN)O 1P00C90W [0,2,0,0,0,0|1,0,0]=3 1915 B7R0.3 CCOCC(CN)O 1P01FP7U [0,2,0,0,0,0|1,0,0]=3 1916 B7R0.3 CCOCC(CO)O 1P0038O5 [0,2,0,0,0,0|0,0,0]=2 1917 B7R0.3 CCOC[C@H](CO)N 1P01ALKF [0,2,0,0,0,0|1,0,0]=3 1918 B7R0.3 CCOC[C@H](CO)O 1P0281M0 [0,2,0,0,0,0|0,0,0]=2 1919 B7R0.3 CCSC[C@H](CO)N 1P0281AQ [0,2,0,0,0,0|1,1,0]=4 1920 B7R0.3 CCSC[C@H](CO)N 1P0288M7 [0,2,0,0,0,0|1,1,0]=4 1921 B7R0.3 CC[C@@H](CCC=C)O 1P028G66 [0,2,0,0,0,0|2,0,0]=4 1922 B7R0.3 CC[C@H](CCC=C)O 1P028FU3 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.3 CNCCC(CO)O 1P02862J [0,2,0,0,0,0|1,0,0]=3 1924 B7R0.3 COCCC(CC)N 1P019ZIH [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.3 COCCC(CC)O 1P01A2YR [0,2,0,0,0,0|1,0,0]=3 1926 B7R0.3 COCCC(CN)O 1P028YZ4 [0,2,0,0,0,0|1,0,0]=3 1927 B7R0.3 COCCC(CO)N 1P018SNU [0,2,0,0,0,0|1,0,0]=3 1928 B7R0.3 COCC[C@@H](CO)O 1P01INA6 [0,2,0,0,0,0|0,0,0]=2 1929 B7R0.3 CSCCC(CN)O 1P01BVQ4 [0,2,0,0,0,0|1,1,0]=4 1930 B7R0.3 CSCCC(CO)N 1P001XOC [0,2,0,0,0,0|1,1,0]=4 1931 B7R0.3 CSCC[C@@H](CO)N 1P002VLL [0,2,0,0,0,0|1,1,0]=4 1932 B7R0.3 CSCC[C@H](CO)N 1P004S8I [0,2,0,0,0,0|1,1,0]=4 1933 B7R0.3 C[C@@H](OCOC)CO 1P001R35 [0,2,0,0,0,0|1,0,0]=3 1934 B7R0.3 ClCCCC(CCl)O 1P01A3N7 [0,2,0,0,0,0|2,0,0]=4 1935 B7R0.3 NC(CO)CCC=C 1P003YA9 [0,2,0,0,0,0|2,0,0]=4 1936 B7R0.3 NCC(CCC=C)O 1P02938L [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.3 NCC(CCOC)N 1P01FJCW [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.3 NCCCC(CC)O 1P01AEDS [0,2,0,0,0,0|2,0,0]=4 1939 B7R0.3 NCCCC(CC)O 1P01AL9N [0,2,0,0,0,0|2,0,0]=4 1940 B7R0.3 NCCCC(CO)C 1P01A3F4 [0,2,0,0,0,0|2,0,0]=4 1941 B7R0.3 NCCCC(CO)O 1P0079Z5 [0,2,0,0,0,0|1,0,0]=3 1942 B7R0.3 OC(CCl)CCC=C 1P009648 [0,2,0,0,0,0|2,0,0]=4 1943 B7R0.3 OCCCC(CC)C 1P005IA8 [0,2,0,0,0,0|2,0,0]=4 1944 B7R0.3 OCCCC(CC)N 1P01EMRN [0,2,0,0,0,0|2,0,0]=4 1945 B7R0.3 OCCCC(CC)O 1P001V9W [0,2,0,0,0,0|1,0,0]=3 1946 B7R0.3 OCCCC(CN)C 1P01ANWP [0,2,0,0,0,0|2,0,0]=4 1947 B7R0.3 OCCCC(CO)C 1P0071T5 [0,2,0,0,0,0|1,0,0]=3 1948 B7R0.3 OCCCC(CO)N 1P00BLI5 [0,2,0,0,0,0|1,0,0]=3 1949 B7R0.3 OCCCC(CO)O 1P003DS5 [0,2,0,0,0,0|0,0,0]=2 1950 B7R0.3 OCCC[C@@H](CN)O 1P028ASN [0,2,0,0,0,0|1,0,0]=3 1951 B7R0.3 OCCC[C@@H](CO)N 1P028S2F [0,2,0,0,0,0|1,0,0]=3 1952 B7R0.3 OCCC[C@H](CN)C 1P01KYDD [0,2,0,0,0,0|2,0,0]=4 1953 B7R0.3 OCCC[C@H](CN)C 1P024H7Z [0,2,0,0,0,0|2,0,0]=4 1954 B7R0.3 OCCC[C@H](CO)N 1P028Y8G [0,2,0,0,0,0|1,0,0]=3 1955 B7R0.3 OCCNC(=O)CO 1P007ESF [0,2,0,0,0,0|0,0,2]=4 1956 B7R0.3 OCCNC(CC)C 1P007EEJ [0,2,0,0,0,0|2,0,0]=4 1957 B7R0.3 OCCOC(CN)C 1P027W0B [0,2,0,0,0,0|2,0,0]=4 1958 B7R0.3 [N-]=[N+]=NCC(CC)O 1P01BRN6 [0,2,0,0,0,0|2,0,0]=4 1959 B7R0.3 [N-]=[N+]=NCC(CCl)O 1P00DFZ8 [0,2,0,0,0,0|2,0,0]=4 1960 B7R0.3 [N-]=[N+]=NC[C@H](CO)O 1P000WEN [0,2,0,0,0,0|1,0,0]=3 1961 B7R0.5 CC(C(=O)O)COC 1P007XM3 [0,2,0,0,0,0|1,0,1]=4 1962 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [0,2,0,0,0,0|1,0,1]=4 1963 B7R0.5 CCCC(C(O)C)C 1P002MQU [0,2,0,0,0,0|2,0,0]=4 1964 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [0,2,0,0,0,0|1,0,1]=4 1965 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [0,2,0,0,0,0|1,0,1]=4 1966 B7R0.5 CCOC(C(F)F)O 1P001LSJ [0,2,0,0,0,0|2,0,0]=4 1967 B7R0.5 CNCC(C(F)F)O 1P0283JV [0,2,0,0,0,0|2,0,0]=4 1968 B7R0.5 COCC(C(=O)O)Br 1P00ED9O [0,2,0,0,0,0|1,0,1]=4 1969 B7R0.5 COCC(C(=O)O)Cl 1P003BNM [0,2,0,0,0,0|1,0,1]=4 1970 B7R0.5 COCC(C(=O)O)N 1P00I6NY [0,2,0,0,0,0|1,0,1]=4 1971 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [0,2,0,0,0,0|1,0,1]=4 1972 B7R0.5 COCC(C(C)C)N 1P01ALEA [0,2,0,0,0,0|2,0,0]=4 1973 B7R0.5 COCC(C(C)C)O 1P019TYD [0,2,0,0,0,0|1,0,0]=3 1974 B7R0.5 COCC(C(N)C)C 1P01BCYE [0,2,0,0,0,0|2,0,0]=4 1975 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [0,2,0,0,0,0|1,0,1]=4 1976 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [0,2,0,0,0,0|1,0,1]=4 1977 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [0,2,0,0,0,0|1,0,1]=4 1978 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [0,2,0,0,0,0|1,0,1]=4 1979 B7R0.5 CSCC(C(=O)O)O 1P001OTX [0,2,0,0,0,0|0,1,1]=4 1980 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [0,2,0,0,0,0|1,0,1]=4 1981 B7R0.5 C[C@@H]([C@@H](N)C)CCO 1P0284LV [0,2,0,0,0,0|2,0,0]=4 1982 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [0,2,0,0,0,0|1,0,1]=4 1983 B7R0.5 ClCCC(C(C)C)O 1P01BID9 [0,2,0,0,0,0|2,0,0]=4 1984 B7R0.5 NC(=O)C(CCO)O 1P0286EP [0,2,0,0,0,0|0,0,2]=4 1985 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [0,2,0,0,0,0|1,0,1]=4 1986 B7R0.5 NCCC(C(C)C)O 1P00VUK8 [0,2,0,0,0,0|2,0,0]=4 1987 B7R0.5 NCCC(C(F)F)O 1P01C0ZE [0,2,0,0,0,0|2,0,0]=4 1988 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [0,2,0,0,0,0|1,0,1]=4 1989 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [0,2,0,0,0,0|1,0,1]=4 1990 B7R0.5 NOCC(C(C)C)O 1P028E0V [0,2,0,0,0,0|1,0,0]=3 1991 B7R0.5 OC(C(=O)O)CC#C 1P01BEDA [0,2,0,0,0,0|1,0,1]=4 1992 B7R0.5 OC(C(C)C)CC#C 1P019U1A [0,2,0,0,0,0|2,0,0]=4 1993 B7R0.5 OC(C(C)C)CC#N 1P019TMM [0,2,0,0,0,0|2,0,0]=4 1994 B7R0.5 OCCC(C(C)C)C 1P006Q5G [0,2,0,0,0,0|2,0,0]=4 1995 B7R0.5 OCCC(C(C)C)N 1P003JCG [0,2,0,0,0,0|2,0,0]=4 1996 B7R0.5 OCCC(C(C)C)N 1P028YZD [0,2,0,0,0,0|2,0,0]=4 1997 B7R0.5 OCCC(C(C)C)O 1P01C5VJ [0,2,0,0,0,0|1,0,0]=3 1998 B7R0.5 OCCC(C(C)C)S 1P028DQX [0,2,0,0,0,0|1,1,0]=4 1999 B7R0.5 OCCC(C(F)F)C 1P028OUJ [0,2,0,0,0,0|2,0,0]=4 2000 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [0,2,0,0,0,0|1,0,1]=4 2001 B7R0.5 OCC[C@@H](C(C)C)N 1P021KGS [0,2,0,0,0,0|2,0,0]=4 2002 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [0,2,0,0,0,0|1,0,1]=4 2003 B7R0.5 OCC[C@H](C(C)C)N 1P021KGU [0,2,0,0,0,0|2,0,0]=4 2004 B7R0.5 OCC[C@H](C(C)C)O 1P028S7O [0,2,0,0,0,0|1,0,0]=3 2005 B7R0.5 [O-]C(=O)C(COC)O 1P0285SZ [0,2,0,0,0,0|0,0,2]=4 2006 B7R0.7 C=CCC(CC=C)O 1P002X5M [0,2,0,0,0,0|2,0,0]=4 2007 B7R0.7 CCCC(CC=C)O 1P003EU9 [0,2,0,0,0,0|2,0,0]=4 2008 B7R0.7 CCCC(CCC)O 1P003LXE [0,2,0,0,0,0|2,0,0]=4 2009 B7R0.7 CCCC(CCO)C 1P0010Z8 [0,2,0,0,0,0|2,0,0]=4 2010 B7R0.7 CCCC(CCO)N 1P005O4J [0,2,0,0,0,0|2,0,0]=4 2011 B7R0.7 CCCC(CCO)O 1P00BTGZ [0,2,0,0,0,0|1,0,0]=3 2012 B7R0.7 CCCC(CCO)S 1P003K2X [0,2,0,0,0,0|1,1,0]=4 2013 B7R0.7 CCC[C@@H](CCO)N 1P00FEK2 [0,2,0,0,0,0|2,0,0]=4 2014 B7R0.7 CCC[C@H](CCO)N 1P01JS6F [0,2,0,0,0,0|2,0,0]=4 2015 B7R0.7 CNCC(CCO)C 1P02835R [0,2,0,0,0,0|2,0,0]=4 2016 B7R0.7 CNCC(CCO)O 1P0283F3 [0,2,0,0,0,0|1,0,0]=3 2017 B7R0.7 CNCC(COC)C 1P027X7U [0,2,0,0,0,0|2,0,0]=4 2018 B7R0.7 CNCC(COC)O 1P00F4ZA [0,2,0,0,0,0|1,0,0]=3 2019 B7R0.7 CNCC(COC)O 1P019NOY [0,2,0,0,0,0|1,0,0]=3 2020 B7R0.7 CNC[C@@H](COC)O 1P02939P [0,2,0,0,0,0|1,0,0]=3 2021 B7R0.7 COCC(=O)COC 1P003E0W [0,2,0,0,0,0|0,0,2]=4 2022 B7R0.7 COCC(CC#C)N 1P01BYAF [0,2,0,0,0,0|2,0,0]=4 2023 B7R0.7 COCC(CC#N)C 1P01C5PF [0,2,0,0,0,0|2,0,0]=4 2024 B7R0.7 COCC(CC=O)C 1P0292UC [0,2,0,0,0,0|1,0,1]=4 2025 B7R0.7 COCC(CCN)O 1P01A40K [0,2,0,0,0,0|1,0,0]=3 2026 B7R0.7 COCC(CCO)C 1P01B2MQ [0,2,0,0,0,0|1,0,0]=3 2027 B7R0.7 COCC(CCO)N 1P018STF [0,2,0,0,0,0|1,0,0]=3 2028 B7R0.7 COCC(COC)Br 1P01C8JR [0,2,0,0,0,0|1,0,0]=3 2029 B7R0.7 COCC(COC)N 1P005AHM [0,2,0,0,0,0|1,0,0]=3 2030 B7R0.7 COCC(COC)N 1P009V1E [0,2,0,0,0,0|1,0,0]=3 2031 B7R0.7 COCC(COC)O 1P003E0U [0,2,0,0,0,0|0,0,0]=2 2032 B7R0.7 COCC(COC)S 1P0291NJ [0,2,0,0,0,0|0,1,0]=3 2033 B7R0.7 COCC(CON)O 1P028PHQ [0,2,0,0,0,0|0,0,0]=2 2034 B7R0.7 COCC(NCC)C 1P019MEW [0,2,0,0,0,0|2,0,0]=4 2035 B7R0.7 COCC(NCC)C 1P019NIR [0,2,0,0,0,0|2,0,0]=4 2036 B7R0.7 COC[C@@H](CC#C)O 1P01BU19 [0,2,0,0,0,0|1,0,0]=3 2037 B7R0.7 COC[C@H](CC#C)O 1P01BU84 [0,2,0,0,0,0|1,0,0]=3 2038 B7R0.7 CSCC(CCO)N 1P018SSM [0,2,0,0,0,0|1,1,0]=4 2039 B7R0.7 NCCC(CC#C)O 1P01C0YW [0,2,0,0,0,0|2,0,0]=4 2040 B7R0.7 NCCC(CCN)O 1P028VWF [0,2,0,0,0,0|2,0,0]=4 2041 B7R0.7 NCC[C@H](CCO)O 1P02836B [0,2,0,0,0,0|1,0,0]=3 2042 B7R0.7 OC(CC#N)CC#N 1P001A2M [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.7 OCCC(=O)CCO 1P00BZ06 [0,2,0,0,0,0|0,0,2]=4 2044 B7R0.7 OCCC(CCO)C 1P00347M [0,2,0,0,0,0|1,0,0]=3 2045 B7R0.7 OCCC(CCO)O 1P00DDUY [0,2,0,0,0,0|0,0,0]=2 2046 B7R0.7 OCCC(NCC)C 1P005GLM [0,2,0,0,0,0|2,0,0]=4 2047 B7R0.7 OCCN(CCO)C 1P0035V1 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.7 OCCN(CCO)C 1P0039OU [0,2,0,0,0,0|2,0,0]=4 2049 B7R0.7 OCCS(=O)CCO 1P00BE4F [0,2,0,0,0,0|1,0,1]=4 2050 B7R0.7 OCNC(=O)NCO 1P001CEV [0,2,0,0,0,0|0,0,2]=4 2051 B7R0.10 BrCC(C(CBr)O)O 1P001J4N [0,2,0,0,0,0|1,0,0]=3 2052 B7R0.10 C=CC(C(C=C)O)O 1P003BHE [0,2,0,0,0,0|1,0,1]=4 2053 B7R0.10 CC(C(=O)OC)CO 1P01A9LL [0,2,0,0,0,0|1,0,1]=4 2054 B7R0.10 CCC(=O)C(CC)O 1P003UFW [0,2,0,0,0,0|2,0,0]=4 2055 B7R0.10 CCC(C(=O)OC)O 1P002ZIT [0,2,0,0,0,0|1,0,1]=4 2056 B7R0.10 CCC(C(CC)C)O 1P00EBFY [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.10 CCC(C(CC)N)O 1P01C22W [0,2,0,0,0,0|2,0,0]=4 2058 B7R0.10 CCC(C(CC)O)O 1P0062IW [0,2,0,0,0,0|1,0,0]=3 2059 B7R0.10 CCC(C(CN)O)C 1P01AI5U [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.10 CCC(C(CO)C)O 1P001LSY [0,2,0,0,0,0|1,0,0]=3 2061 B7R0.10 CCC(C(CO)C)O 1P01GGEC [0,2,0,0,0,0|1,0,0]=3 2062 B7R0.10 CCC(C(CO)C)S 1P00347C [0,2,0,0,0,0|1,1,0]=4 2063 B7R0.10 CCC(C(CO)Cl)C 1P01C4AF [0,2,0,0,0,0|2,0,0]=4 2064 B7R0.10 CCC(C(CO)N)C 1P01AKY4 [0,2,0,0,0,0|2,0,0]=4 2065 B7R0.10 CC[C@@H](C(=O)OC)O 1P0036DS [0,2,0,0,0,0|1,0,1]=4 2066 B7R0.10 CC[C@@H]([C@@H](CO)N)C 1P002PBQ [0,2,0,0,0,0|2,0,0]=4 2067 B7R0.10 CC[C@H](C(=O)OC)O 1P0036DY [0,2,0,0,0,0|1,0,1]=4 2068 B7R0.10 COC(=O)C(CCl)O 1P00CN6U [0,2,0,0,0,0|1,0,1]=4 2069 B7R0.10 COC(=O)C(CF)O 1P028ZOR [0,2,0,0,0,0|1,0,1]=4 2070 B7R0.10 COC(=O)C(CN)O 1P01A438 [0,2,0,0,0,0|1,0,1]=4 2071 B7R0.10 COC(=O)C(CO)Br 1P00G8R7 [0,2,0,0,0,0|1,0,1]=4 2072 B7R0.10 COC(=O)C(CO)F 1P006LWG [0,2,0,0,0,0|1,0,1]=4 2073 B7R0.10 COC(=O)C(CO)N 1P0035KP [0,2,0,0,0,0|1,0,1]=4 2074 B7R0.10 COC(=O)C(CO)N 1P00IAHU [0,2,0,0,0,0|1,0,1]=4 2075 B7R0.10 COC(=O)C(CO)O 1P01GNO2 [0,2,0,0,0,0|0,0,1]=3 2076 B7R0.10 COC(=O)[C@@H](CO)Br 1P023OOG [0,2,0,0,0,0|1,0,1]=4 2077 B7R0.10 COC(=O)[C@@H](CO)N 1P00359W [0,2,0,0,0,0|1,0,1]=4 2078 B7R0.10 COC(=O)[C@@H](CO)O 1P0024OK [0,2,0,0,0,0|0,0,1]=3 2079 B7R0.10 COC(=O)[C@H](CN)O 1P01A3MB [0,2,0,0,0,0|1,0,1]=4 2080 B7R0.10 COC(=O)[C@H](CO)Br 1P01XFPL [0,2,0,0,0,0|1,0,1]=4 2081 B7R0.10 COC(=O)[C@H](CO)O 1P007IRI [0,2,0,0,0,0|0,0,1]=3 2082 B7R0.10 CO[C@@H]([C@@H](CO)N)C 1P01C9Z0 [0,2,0,0,0,0|1,0,0]=3 2083 B7R0.10 C[C@@H](C(=O)OC)CO 1P0035LR [0,2,0,0,0,0|1,0,1]=4 2084 B7R0.10 C[C@H](C(=O)OC)CO 1P0035LU [0,2,0,0,0,0|1,0,1]=4 2085 B7R0.10 ClCC(C(CCl)O)O 1P003Q99 [0,2,0,0,0,0|1,0,0]=3 2086 B7R0.10 ClC[C@H]([C@H](CCl)O)O 1P003RXW [0,2,0,0,0,0|1,0,0]=3 2087 B7R0.10 NCC(C(CN)O)O 1P01DX9J [0,2,0,0,0,0|1,0,0]=3 2088 B7R0.10 OCC(=C(CO)Br)Br 1P00I6L9 [0,2,0,0,0,0|1,0,1]=4 2089 B7R0.10 OCC(=O)[C@H](CO)O 1P00DDQ7 [0,2,0,0,0,0|0,0,0]=2 2090 B7R0.10 OCC(C(=C)CC)C 1P028X8L [0,2,0,0,0,0|2,0,0]=4 2091 B7R0.10 OCC(C(=O)CC)C 1P01HOP8 [0,2,0,0,0,0|2,0,0]=4 2092 B7R0.10 OCC(C(=O)NO)N 1P01FLIC [0,2,0,0,0,0|1,0,1]=4 2093 B7R0.10 OCC(N(CC)C)C 1P008W3R [0,2,0,0,0,0|2,0,0]=4 2094 B7R0.10 OC[C@@H](N(CC)C)C 1P027OYC [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.10 OC[C@@H]([C@@H](C=O)O)O 1P00I9Z8 [0,2,0,0,0,0|0,0,0]=2 2096 B7R0.10 OC[C@@H]([C@H](CO)O)O 1P003RU6 [0,2,0,0,0,0|0,0,0]=2 2097 B7R0.10 OC[C@H](N(CC)C)C 1P027OKS [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.10 OC[C@H]([C@@H](C=O)O)O 1P00IJ56 [0,2,0,0,0,0|0,0,0]=2 2099 B7R0.10 OC[C@H]([C@@H](CO)Br)Br 1P003FXF [0,2,0,0,0,0|1,0,0]=3 2100 B7R0.10 OC[C@H]([C@@H](CO)O)O 1P00I546 [0,2,0,0,0,0|0,0,0]=2 2101 B7R0.10 OC[C@H]([C@H](CO)O)O 1P001LSX [0,2,0,0,0,0|0,0,0]=2 2102 B7R0.10 OC\C(=C(\CO)/Br)\Br 1P003VCD [0,2,0,0,0,0|1,0,1]=4 2103 B7R0.10 OC\C(=C(\CO)/C)\C 1P028BYR [0,2,0,0,0,0|1,0,1]=4 2104 B7R0.10 OC\C(=C(\CO)/I)\I 1P00IU5R [0,2,0,0,0,0|1,0,1]=4 2105 B7R0.10 SC[C@@H]([C@H](CS)O)O 1P001W0O [0,2,0,0,0,0|0,1,0]=3 2106 B7R0.10 SC[C@H]([C@@H](CS)O)O 1P003596 [0,2,0,0,0,0|0,1,0]=3 2107 B7R0.10 SC[C@H]([C@H](CS)O)O 1P00ICCH [0,2,0,0,0,0|0,1,0]=3 2108 B7R0.11 BrCC(COC)(C)C 1P01BSDO [0,2,0,0,0,0|2,0,0]=4 2109 B7R0.11 BrCC(COC)(F)F 1P01EMEP [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.11 CC(C#C)(CCO)O 1P027TT5 [0,2,0,0,0,0|1,0,1]=4 2111 B7R0.11 CC(C#C)(COC)O 1P00C9WA [0,2,0,0,0,0|1,0,1]=4 2112 B7R0.11 CC(CC)(CC#C)O 1P019UDM [0,2,0,0,0,0|2,0,0]=4 2113 B7R0.11 CC(CN)(COC)F 1P01C7OJ [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.11 CC(CN)(COC)N 1P01AISX [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.11 CC(CN)(COC)O 1P01AI37 [0,2,0,0,0,0|1,0,0]=3 2116 B7R0.11 CC(CN)(CSC)O 1P01AKFQ [0,2,0,0,0,0|1,1,0]=4 2117 B7R0.11 CC(CO)(CC#N)O 1P028R41 [0,2,0,0,0,0|1,0,0]=3 2118 B7R0.11 CC(CO)(COC)N 1P019YQE [0,2,0,0,0,0|1,0,0]=3 2119 B7R0.11 CC(CO)(COC)N 1P01C0I7 [0,2,0,0,0,0|1,0,0]=3 2120 B7R0.11 CC(CO)(CSC)N 1P028RDX [0,2,0,0,0,0|1,1,0]=4 2121 B7R0.11 CCCC(CN)(O)C 1P01AI6D [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.11 CCCC(CO)(C)C 1P002ONM [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.11 CCCC(CO)(N)C 1P01AJBB [0,2,0,0,0,0|2,0,0]=4 2124 B7R0.11 CCCC(CO)(S)C 1P007O0M [0,2,0,0,0,0|1,1,0]=4 2125 B7R0.11 CCNC(CO)(C)C 1P00G55J [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.11 CCNC(CO)(C)C 1P00J3H2 [0,2,0,0,0,0|2,0,0]=4 2127 B7R0.11 CCOC(CO)(C)C 1P01DWPL [0,2,0,0,0,0|2,0,0]=4 2128 B7R0.11 COCC(CC)(N)C 1P028RY8 [0,2,0,0,0,0|2,0,0]=4 2129 B7R0.11 FCCC(CO)(N)C 1P01BV4Q [0,2,0,0,0,0|2,0,0]=4 2130 B7R0.11 NCC(COC)(C)C 1P008PWU [0,2,0,0,0,0|2,0,0]=4 2131 B7R0.11 NCC(COC)(C)C 1P00AEHI [0,2,0,0,0,0|2,0,0]=4 2132 B7R0.11 NCC(COC)(F)F 1P0283LL [0,2,0,0,0,0|2,0,0]=4 2133 B7R0.11 NCCC(CC)(O)C 1P01ALUA [0,2,0,0,0,0|2,0,0]=4 2134 B7R0.11 NCCC(CO)(C)C 1P01ANTY [0,2,0,0,0,0|2,0,0]=4 2135 B7R0.11 NCCC(CO)(F)F 1P028WD4 [0,2,0,0,0,0|2,0,0]=4 2136 B7R0.11 OCC(CC#C)(C)C 1P00HBH5 [0,2,0,0,0,0|2,0,0]=4 2137 B7R0.11 OCC(CC#N)(C)C 1P007O1H [0,2,0,0,0,0|2,0,0]=4 2138 B7R0.11 OCC(CC=C)(C)C 1P00CMKH [0,2,0,0,0,0|2,0,0]=4 2139 B7R0.11 OCC(CC=C)(F)F 1P01DXV5 [0,2,0,0,0,0|2,0,0]=4 2140 B7R0.11 OCC(CNC)(C)C 1P001SF0 [0,2,0,0,0,0|2,0,0]=4 2141 B7R0.11 OCC(CNC)(F)F 1P01DVGV [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.11 OCC(CNN)(C)C 1P01BHXU [0,2,0,0,0,0|2,0,0]=4 2143 B7R0.11 OCC(COC)(C)C 1P00EGBQ [0,2,0,0,0,0|1,0,0]=3 2144 B7R0.11 OCC(COC)(F)F 1P01BJFW [0,2,0,0,0,0|1,0,0]=3 2145 B7R0.11 OCC(CSC)(C)C 1P01AMHB [0,2,0,0,0,0|1,1,0]=4 2146 B7R0.11 OCC(CSC)(F)F 1P028CM4 [0,2,0,0,0,0|1,1,0]=4 2147 B7R0.11 OCCC(CBr)(C)C 1P028GVY [0,2,0,0,0,0|2,0,0]=4 2148 B7R0.11 OCCC(CC)(C)C 1P002GN9 [0,2,0,0,0,0|2,0,0]=4 2149 B7R0.11 OCCC(CC)(F)F 1P0290RR [0,2,0,0,0,0|2,0,0]=4 2150 B7R0.11 OCCC(CC)(O)C 1P01C8KN [0,2,0,0,0,0|1,0,0]=3 2151 B7R0.11 OCCC(CN)(C)C 1P019TC5 [0,2,0,0,0,0|2,0,0]=4 2152 B7R0.11 OCCC(CN)(C)C 1P024N4Q [0,2,0,0,0,0|2,0,0]=4 2153 B7R0.11 OCCC(CN)(O)C 1P028L6M [0,2,0,0,0,0|1,0,0]=3 2154 B7R0.11 OCCC(CO)(C)C 1P007J71 [0,2,0,0,0,0|1,0,0]=3 2155 B7R0.11 OCCC(CO)(F)F 1P01DXR1 [0,2,0,0,0,0|1,0,0]=3 2156 B7R0.11 OCCC(CO)(O)C 1P003I5J [0,2,0,0,0,0|0,0,0]=2 2157 B7R0.11 OCC[C@@](CO)(O)C 1P01EIRB [0,2,0,0,0,0|0,0,0]=2 2158 B7R0.11 SCC(COC)(C)C 1P0280ZE [0,2,0,0,0,0|1,1,0]=4 2159 B7R0.12 BrCCC(CO)CO 1P024WLU [0,2,0,0,0,0|1,0,0]=3 2160 B7R0.12 C=CCC(CO)CN 1P01A4P9 [0,2,0,0,0,0|2,0,0]=4 2161 B7R0.12 CCCC(CO)CO 1P002S7Z [0,2,0,0,0,0|1,0,0]=3 2162 B7R0.12 CCCC(OC)CN 1P01ANP8 [0,2,0,0,0,0|2,0,0]=4 2163 B7R0.12 CCCC(OC)CO 1P01ANRS [0,2,0,0,0,0|1,0,0]=3 2164 B7R0.12 CCCC(OC)CS 1P0290A7 [0,2,0,0,0,0|1,1,0]=4 2165 B7R0.12 CCNC(CO)CO 1P0291JP [0,2,0,0,0,0|1,0,0]=3 2166 B7R0.12 CCN[C@H](CO)CC 1P0056F3 [0,2,0,0,0,0|2,0,0]=4 2167 B7R0.12 CCOC(CBr)CO 1P027VUQ [0,2,0,0,0,0|1,0,0]=3 2168 B7R0.12 CCOC(CCl)CO 1P027VHO [0,2,0,0,0,0|1,0,0]=3 2169 B7R0.12 CCOC(CN)CC 1P00J2G3 [0,2,0,0,0,0|2,0,0]=4 2170 B7R0.12 CCOC(CN)CN 1P01A6MJ [0,2,0,0,0,0|2,0,0]=4 2171 B7R0.12 CCOC(CO)CN 1P01A220 [0,2,0,0,0,0|1,0,0]=3 2172 B7R0.12 CNCC(OC)CC 1P028R7V [0,2,0,0,0,0|2,0,0]=4 2173 B7R0.12 COC(CBr)CC=C 1P0056ZI [0,2,0,0,0,0|2,0,0]=4 2174 B7R0.12 COCC(C#N)OC 1P01A62W [0,2,0,0,0,0|1,0,1]=4 2175 B7R0.12 COCC(CBr)OC 1P01B6U1 [0,2,0,0,0,0|1,0,0]=3 2176 B7R0.12 COCC(CN)OC 1P01A65J [0,2,0,0,0,0|1,0,0]=3 2177 B7R0.12 COCC(NC)CC 1P020LMR [0,2,0,0,0,0|2,0,0]=4 2178 B7R0.12 COCC(OC)OC 1P0032OL [0,2,0,0,0,0|2,0,0]=4 2179 B7R0.12 COC[C@@H](CBr)OC 1P01FIK8 [0,2,0,0,0,0|1,0,0]=3 2180 B7R0.12 COC[C@@H](CN)OC 1P01FK45 [0,2,0,0,0,0|1,0,0]=3 2181 B7R0.12 COC[C@@H](CO)OC 1P01EN7E [0,2,0,0,0,0|0,0,0]=2 2182 B7R0.12 COC[C@H](CN)OC 1P01FKBA [0,2,0,0,0,0|1,0,0]=3 2183 B7R0.12 COC[C@H](CO)OC 1P01DW5X [0,2,0,0,0,0|0,0,0]=2 2184 B7R0.12 CSCC(OC)CN 1P028P7L [0,2,0,0,0,0|1,1,0]=4 2185 B7R0.12 NCCC(CO)CC 1P027UYA [0,2,0,0,0,0|2,0,0]=4 2186 B7R0.12 NCCC(CO)CO 1P008504 [0,2,0,0,0,0|1,0,0]=3 2187 B7R0.12 NCCC(CO)CO 1P01XFH7 [0,2,0,0,0,0|1,0,0]=3 2188 B7R0.12 OCC(CC#C)CO 1P023PCH [0,2,0,0,0,0|1,0,0]=3 2189 B7R0.12 OCC(CNC)CO 1P01A4DE [0,2,0,0,0,0|1,0,0]=3 2190 B7R0.12 OCC(CNC)CO 1P01FKW5 [0,2,0,0,0,0|1,0,0]=3 2191 B7R0.12 OCC(COC)CO 1P027XP3 [0,2,0,0,0,0|0,0,0]=2 2192 B7R0.12 OCC(NC=O)CO 1P028XSE [0,2,0,0,0,0|0,0,1]=3 2193 B7R0.12 OCCC(CC)CC 1P00FCD9 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.12 OCCC(CN)CC 1P019ZGA [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.12 OCCC(OC)CN 1P028KFS [0,2,0,0,0,0|1,0,0]=3 2196 B7R0.12 OCCC(OC)CN 1P028M1L [0,2,0,0,0,0|1,0,0]=3 2197 B7R0.13 CC(C(=O)O)(CC)O 1P0033ST [0,2,0,0,0,0|1,0,1]=4 2198 B7R0.13 CCC(C(O)C)(O)C 1P00F6HA [0,2,0,0,0,0|1,0,0]=3 2199 B7R0.13 C[C@@](C(=O)O)(CBr)O 1P002SLL [0,2,0,0,0,0|1,0,1]=4 2200 B7R0.13 C[C@@](C(=O)O)(CC)O 1P01GB7L [0,2,0,0,0,0|1,0,1]=4 2201 B7R0.13 C[C@](C(=O)O)(CBr)O 1P003C5H [0,2,0,0,0,0|1,0,1]=4 2202 B7R0.13 NCC(C(C)C)(O)C 1P01AI1E [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.13 NCC(C(F)F)(O)C 1P0281P2 [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.13 NCC(C(O)C)(C)C 1P01BMVC [0,2,0,0,0,0|2,0,0]=4 2205 B7R0.13 OCC(C(=O)O)(C)C 1P003K1K [0,2,0,0,0,0|1,0,1]=4 2206 B7R0.13 OCC(C(=O)O)(F)F 1P01A4AF [0,2,0,0,0,0|1,0,1]=4 2207 B7R0.13 OCC(C(=O)O)(N)C 1P003GUB [0,2,0,0,0,0|1,0,1]=4 2208 B7R0.13 OCC(C(=O)O)(N)C 1P01C1TD [0,2,0,0,0,0|1,0,1]=4 2209 B7R0.13 OCC(C(=O)O)(O)C 1P0033EN [0,2,0,0,0,0|0,0,1]=3 2210 B7R0.13 OCC(C(C)C)(C)C 1P01BEH2 [0,2,0,0,0,0|2,0,0]=4 2211 B7R0.13 OCC(C(C)C)(N)C 1P01BC2P [0,2,0,0,0,0|2,0,0]=4 2212 B7R0.13 OCC(C(C)C)(O)C 1P006L5M [0,2,0,0,0,0|1,0,0]=3 2213 B7R0.13 OCC(C(F)F)(C)C 1P00SGKW [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.13 OCC(C(F)F)(F)F 1P003FOG [0,2,0,0,0,0|2,0,0]=4 2215 B7R0.13 OCC(C(F)F)(N)C 1P028LWJ [0,2,0,0,0,0|2,0,0]=4 2216 B7R0.13 OCC(C(N)C)(C)C 1P01FIC8 [0,2,0,0,0,0|2,0,0]=4 2217 B7R0.13 OCC(C(O)C)(O)C 1P01DWRZ [0,2,0,0,0,0|0,0,0]=2 2218 B7R0.13 OC[C@@](C(=O)O)(N)C 1P001YE4 [0,2,0,0,0,0|1,0,1]=4 2219 B7R0.13 OC[C@](C(=O)O)(N)C 1P0055UM [0,2,0,0,0,0|1,0,1]=4 2220 B7R0.14 BrCC(C(F)(C)C)O 1P027ODK [0,2,0,0,0,0|2,0,0]=4 2221 B7R0.14 BrCC(C(F)(F)F)O 1P003JG1 [0,2,0,0,0,0|2,0,0]=4 2222 B7R0.14 CCC(C(C)(C)C)O 1P003FS4 [0,2,0,0,0,0|2,0,0]=4 2223 B7R0.14 CCC(C(F)(F)F)O 1P00702P [0,2,0,0,0,0|2,0,0]=4 2224 B7R0.14 CCC(C(N)(C)C)O 1P028RK0 [0,2,0,0,0,0|2,0,0]=4 2225 B7R0.14 CCC(C(O)(C)C)N 1P01AMRQ [0,2,0,0,0,0|2,0,0]=4 2226 B7R0.14 ClCC(C(C)(C)C)O 1P01B987 [0,2,0,0,0,0|2,0,0]=4 2227 B7R0.14 FCC(C(N)(C)C)O 1P027W6O [0,2,0,0,0,0|2,0,0]=4 2228 B7R0.14 NCC(C(C)(C)C)O 1P00FCQU [0,2,0,0,0,0|2,0,0]=4 2229 B7R0.14 NCC(C(F)(F)F)O 1P00CBE3 [0,2,0,0,0,0|2,0,0]=4 2230 B7R0.14 NCC(C(F)(F)F)O 1P00DBK9 [0,2,0,0,0,0|2,0,0]=4 2231 B7R0.14 NCC(C(O)(C)C)O 1P00HHTU [0,2,0,0,0,0|1,0,0]=3 2232 B7R0.14 NC[C@@H](C(F)(F)F)O 1P01A9PU [0,2,0,0,0,0|2,0,0]=4 2233 B7R0.14 NC[C@H](C(C)(C)C)O 1P028VTW [0,2,0,0,0,0|2,0,0]=4 2234 B7R0.14 NC[C@H](C(F)(F)F)O 1P01A9PV [0,2,0,0,0,0|2,0,0]=4 2235 B7R0.14 NC[C@H](C(O)(C)C)F 1P00ATPM [0,2,0,0,0,0|2,0,0]=4 2236 B7R0.14 OCC(C(C)(C)C)C 1P01BYDY [0,2,0,0,0,0|2,0,0]=4 2237 B7R0.14 OCC(C(C)(C)C)N 1P019NKV [0,2,0,0,0,0|2,0,0]=4 2238 B7R0.14 OCC(C(C)(C)C)N 1P01AIYK [0,2,0,0,0,0|2,0,0]=4 2239 B7R0.14 OCC(C(F)(C)C)N 1P028LDP [0,2,0,0,0,0|2,0,0]=4 2240 B7R0.14 OCC(C(F)(F)C)C 1P0290SK [0,2,0,0,0,0|2,0,0]=4 2241 B7R0.14 OCC(C(F)(F)C)Cl 1P01R2KL [0,2,0,0,0,0|2,0,0]=4 2242 B7R0.14 OCC(C(F)(F)C)F 1P0289I5 [0,2,0,0,0,0|2,0,0]=4 2243 B7R0.14 OCC(C(F)(F)F)Br 1P0032LD [0,2,0,0,0,0|2,0,0]=4 2244 B7R0.14 OCC(C(F)(F)F)C 1P0038A9 [0,2,0,0,0,0|2,0,0]=4 2245 B7R0.14 OCC(C(F)(F)F)F 1P01BHT4 [0,2,0,0,0,0|2,0,0]=4 2246 B7R0.14 OCC(C(F)(F)F)N 1P0096SV [0,2,0,0,0,0|2,0,0]=4 2247 B7R0.14 OCC(C(F)(F)F)O 1P00DKY9 [0,2,0,0,0,0|1,0,0]=3 2248 B7R0.14 OCC(C(N)(C)C)O 1P02808R [0,2,0,0,0,0|1,0,0]=3 2249 B7R0.14 OCC(C(O)(C)C)C 1P024RUJ [0,2,0,0,0,0|1,0,0]=3 2250 B7R0.14 OCC(P(=O)(O)O)C 1P028PE5 [0,2,0,0,0,0|2,0,0]=4 2251 B7R0.14 OC[C@@H](C(C)(C)C)N 1P00HCTX [0,2,0,0,0,0|2,0,0]=4 2252 B7R0.14 OC[C@@H](C(C)(C)C)O 1P01DWSK [0,2,0,0,0,0|1,0,0]=3 2253 B7R0.14 OC[C@@H](C(F)(F)F)N 1P01ADKZ [0,2,0,0,0,0|2,0,0]=4 2254 B7R0.14 OC[C@@H](C(O)(C)C)C 1P005FOH [0,2,0,0,0,0|1,0,0]=3 2255 B7R0.14 OC[C@H](C(C)(C)C)N 1P007UFA [0,2,0,0,0,0|2,0,0]=4 2256 B7R0.14 OC[C@H](C(C)(C)C)O 1P006G9P [0,2,0,0,0,0|1,0,0]=3 2257 B7R0.14 OC[C@H](C(F)(F)F)N 1P01ACZD [0,2,0,0,0,0|2,0,0]=4 2258 B7R0.14 OC[C@H](C(F)(F)F)O 1P001LKE [0,2,0,0,0,0|1,0,0]=3 2259 B7R0.15 BrCC(C(=O)O)CBr 1P00342E [0,2,0,0,0,0|2,0,0]=4 2260 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [0,2,0,0,0,0|2,0,0]=4 2261 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [0,2,0,0,0,0|2,0,0]=4 2262 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [0,2,0,0,0,0|1,0,1]=4 2263 B7R0.15 CCC(C(=O)[O-])CO 1P01C65A [0,2,0,0,0,0|1,0,1]=4 2264 B7R0.15 CCC(C(C)C)CO 1P00CLUO [0,2,0,0,0,0|2,0,0]=4 2265 B7R0.15 CCC(N(C)C)CO 1P007DT2 [0,2,0,0,0,0|2,0,0]=4 2266 B7R0.15 CC[C@@H](N(C)C)CO 1P0282FG [0,2,0,0,0,0|2,0,0]=4 2267 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [0,2,0,0,0,0|2,0,0]=4 2268 B7R0.15 CNC(C(C)C)CO 1P00J32C [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [0,2,0,0,0,0|1,0,1]=4 2270 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [0,2,0,0,0,0|1,0,1]=4 2271 B7R0.15 CN[C@H](C(C)C)CO 1P02852I [0,2,0,0,0,0|2,0,0]=4 2272 B7R0.15 COC(C(=O)O)CN 1P01A4AE [0,2,0,0,0,0|1,0,1]=4 2273 B7R0.15 COC(C(=O)O)CO 1P0287BD [0,2,0,0,0,0|0,0,1]=3 2274 B7R0.15 COC(C(C)C)CN 1P019TN9 [0,2,0,0,0,0|2,0,0]=4 2275 B7R0.15 COC(C(C)C)CN 1P028KLE [0,2,0,0,0,0|2,0,0]=4 2276 B7R0.15 COC(C(C)C)CO 1P01B8QF [0,2,0,0,0,0|1,0,0]=3 2277 B7R0.15 COC(C(C)C)CS 1P0291H3 [0,2,0,0,0,0|1,1,0]=4 2278 B7R0.15 COC(C(O)C)OC 1P00CHTQ [0,2,0,0,0,0|2,0,0]=4 2279 B7R0.15 CSC(C(N)C)CO 1P01AKKC [0,2,0,0,0,0|1,1,0]=4 2280 B7R0.15 NCC(C(=O)O)CN 1P02918B [0,2,0,0,0,0|2,0,0]=4 2281 B7R0.15 NCC(C(C)C)CO 1P00J2TF [0,2,0,0,0,0|2,0,0]=4 2282 B7R0.15 NCC(C(F)F)OC 1P028GAM [0,2,0,0,0,0|2,0,0]=4 2283 B7R0.15 NC[C@@H](C(=O)O)CO 1P0016D0 [0,2,0,0,0,0|1,0,0]=3 2284 B7R0.15 NC[C@@H](N(C)C)CO 1P027WXD [0,2,0,0,0,0|2,0,0]=4 2285 B7R0.15 NC[C@H](N(C)C)CO 1P027VMI [0,2,0,0,0,0|2,0,0]=4 2286 B7R0.15 OCC(C(=O)O)CO 1P006JAW [0,2,0,0,0,0|0,0,0]=2 2287 B7R0.15 OCC(C(C)C)CO 1P00I5FR [0,2,0,0,0,0|1,0,0]=3 2288 B7R0.15 OCC(C(C)C)ON 1P01AVD7 [0,2,0,0,0,0|1,0,0]=3 2289 B7R0.15 OCC(C(O)C)CO 1P006IIX [0,2,0,0,0,0|0,0,0]=2 2290 B7R0.15 OCC(N(C)C)CO 1P00G8NK [0,2,0,0,0,0|1,0,0]=3 2291 B7R0.15 OCC([N+](=O)[O-])CO 1P0027GJ [0,2,0,0,0,0|0,0,1]=3 2292 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,2,0,0,0,0|1,0,1]=4 2293 B7R0.16 CC(C(C(=O)O)F)O 1P01BGEK [0,2,0,0,0,0|1,0,1]=4 2294 B7R0.16 CC(C(C(=O)O)N)O 1P01DL1Y [0,2,0,0,0,0|1,0,1]=4 2295 B7R0.16 CC(C(C(=O)O)O)N 1P028U2M [0,2,0,0,0,0|1,0,1]=4 2296 B7R0.16 CC(C(C(F)F)O)C 1P027RQN [0,2,0,0,0,0|2,0,0]=4 2297 B7R0.16 CC(C(C(F)F)O)N 1P01A9QE [0,2,0,0,0,0|2,0,0]=4 2298 B7R0.16 CC(C(C(F)F)O)N 1P01AA5I [0,2,0,0,0,0|2,0,0]=4 2299 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O 1P001J7L [0,2,0,0,0,0|1,0,1]=4 2300 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O 1P00IBMP [0,2,0,0,0,0|1,0,1]=4 2301 B7R0.16 C[C@@H]([C@H](C(=O)O)O)N 1P003B1L [0,2,0,0,0,0|1,0,1]=4 2302 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00359M [0,2,0,0,0,0|1,0,1]=4 2303 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O 1P00IB51 [0,2,0,0,0,0|1,0,1]=4 2304 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 1P002Q2X [0,2,0,0,0,0|1,0,1]=4 2305 B7R0.16 OC(C(=O)O)C(=O)O 1P003HWB [0,2,0,0,0,0|0,0,2]=4 2306 B7R0.16 OC(C(=O)O)C(C)C 1P003HUP [0,2,0,0,0,0|1,0,1]=4 2307 B7R0.16 OC(C(=O)O)C(F)F 1P027ABM [0,2,0,0,0,0|1,0,1]=4 2308 B7R0.16 OC(C(C)C)C(C)C 1P003GAS [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.16 OC(C(F)F)C(F)F 1P001132 [0,2,0,0,0,0|2,0,0]=4 2310 B7R0.16 OC(C(N)C)C(C)C 1P028MW5 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.16 OC(C(N)C)C(C)C 1P028N5B [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.16 OC(C(O)C)C(O)C 1P001EH6 [0,2,0,0,0,0|0,0,0]=2 2313 B7R0.16 O[C@@H](C(=O)O)C(C)C 1P001ZWR [0,2,0,0,0,0|1,0,1]=4 2314 B7R0.16 O[C@@H](C(=O)O)C(F)F 1P028XNQ [0,2,0,0,0,0|1,0,1]=4 2315 B7R0.16 O[C@H](C(=O)O)C(C)C 1P007V6T [0,2,0,0,0,0|1,0,1]=4 2316 B7R0.18 CCC(C#C)(CC)O 1P003JUT [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.18 CCC(C#N)(CC)O 1P00CBDT [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.18 CCC(C=C)(CO)C 1P01AG3S [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.18 CCC(CC)(CC)O 1P003JV5 [0,2,0,0,0,0|2,0,0]=4 2320 B7R0.18 CCC(CN)(CC)O 1P01A89C [0,2,0,0,0,0|2,0,0]=4 2321 B7R0.18 CCC(CO)(CC)C 1P0076LW [0,2,0,0,0,0|2,0,0]=4 2322 B7R0.18 CCC(CO)(CC)N 1P002BNR [0,2,0,0,0,0|2,0,0]=4 2323 B7R0.18 CCC(CO)(CC)O 1P01DX1O [0,2,0,0,0,0|1,0,0]=3 2324 B7R0.18 CCC(CO)(CC)S 1P01C1SJ [0,2,0,0,0,0|1,1,0]=4 2325 B7R0.18 CCC(CO)(CN)C 1P01A29T [0,2,0,0,0,0|2,0,0]=4 2326 B7R0.18 CCC(CO)(CO)C 1P005S0N [0,2,0,0,0,0|1,0,0]=3 2327 B7R0.18 CCC(CO)(CO)N 1P000G1A [0,2,0,0,0,0|1,0,0]=3 2328 B7R0.18 CCC(OC)(CN)C 1P01C1OP [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.18 CCC(OC)(CS)C 1P028E8A [0,2,0,0,0,0|1,1,0]=4 2330 B7R0.18 COC(CBr)(CCl)C 1P01DW6Y [0,2,0,0,0,0|2,0,0]=4 2331 B7R0.18 COC(CBr)(CN)C 1P02869O [0,2,0,0,0,0|2,0,0]=4 2332 B7R0.18 ClCC(CCl)(OC)C 1P01AFOJ [0,2,0,0,0,0|2,0,0]=4 2333 B7R0.18 NCC(CO)(CO)C 1P01AMLO [0,2,0,0,0,0|1,0,0]=3 2334 B7R0.18 NCC(CO)(CO)N 1P028H4Y [0,2,0,0,0,0|1,0,0]=3 2335 B7R0.18 NCC(CO)(CO)O 1P01FJXM [0,2,0,0,0,0|0,0,0]=2 2336 B7R0.18 OCC(C#C)(CO)N 1P028ARR [0,2,0,0,0,0|1,0,0]=3 2337 B7R0.18 OCC(CBr)(CO)C 1P00BOCT [0,2,0,0,0,0|1,0,0]=3 2338 B7R0.18 OCC(CCl)(CO)N 1P028SB5 [0,2,0,0,0,0|1,0,0]=3 2339 B7R0.18 OCC(CF)(CF)N 1P028BMR [0,2,0,0,0,0|2,0,0]=4 2340 B7R0.18 OCC(CO)(CO)C 1P003DMH [0,2,0,0,0,0|0,0,0]=2 2341 B7R0.18 OCC(CO)(CO)F 1P01FL3K [0,2,0,0,0,0|0,0,0]=2 2342 B7R0.18 OCC(CO)(CO)N 1P0039O8 [0,2,0,0,0,0|0,0,0]=2 2343 B7R0.18 OCC(CO)(CO)N 1P003AWM [0,2,0,0,0,0|0,0,0]=2 2344 B7R0.18 OCC(CO)(CO)N 1P00HF1G [0,2,0,0,0,0|0,0,0]=2 2345 B7R0.18 OCC(CO)(CO)N 1P00ICB0 [0,2,0,0,0,0|0,0,0]=2 2346 B7R0.18 OCC(CO)(CO)[NH3+] 1P005TIB [0,2,0,0,0,0|0,0,0]=2 2347 B5R1.2 BrC1CCC1 1P003540 [1,0,0,1,0,0|2,0,0]=4 2348 B5R1.2 BrC1CNC1 1P002M3W [1,0,0,1,0,0|2,0,0]=4 2349 B5R1.2 BrC1CNC1 1P003JKM [1,0,0,1,0,0|2,0,0]=4 2350 B5R1.2 BrC1COC1 1P00C0QO [1,0,0,1,0,0|1,0,0]=3 2351 B5R1.2 C=C1COC1 1P01JVBI [1,0,0,1,0,0|1,0,1]=4 2352 B5R1.2 CC1CCN1 1P000GWL [1,0,0,1,0,0|2,0,0]=4 2353 B5R1.2 CC1CNC1 1P003K76 [1,0,0,1,0,0|2,0,0]=4 2354 B5R1.2 C[C@@H]1CCN1 1P01KAC0 [1,0,0,1,0,0|2,0,0]=4 2355 B5R1.2 C[C@H]1CCN1 1P01K3QZ [1,0,0,1,0,0|2,0,0]=4 2356 B5R1.2 ClC1CCC1 1P00HCSZ [1,0,0,1,0,0|2,0,0]=4 2357 B5R1.2 ClC1CNC1 1P007I0I [1,0,0,1,0,0|2,0,0]=4 2358 B5R1.2 ClC1COC1 1P00DIIS [1,0,0,1,0,0|1,0,0]=3 2359 B5R1.2 FC1CNC1 1P003464 [1,0,0,1,0,0|2,0,0]=4 2360 B5R1.2 IC1CCC1 1P0079Q1 [1,0,0,1,0,0|2,0,0]=4 2361 B5R1.2 IC1CNC1 1P000J2R [1,0,0,1,0,0|2,0,0]=4 2362 B5R1.2 IC1COC1 1P002T0O [1,0,0,1,0,0|1,0,0]=3 2363 B5R1.2 NC1CCC1 1P002R5Z [1,0,0,1,0,0|2,0,0]=4 2364 B5R1.2 NC1CCC1 1P003PKK [1,0,0,1,0,0|2,0,0]=4 2365 B5R1.2 NC1CNC1 1P0006Y7 [1,0,0,1,0,0|2,0,0]=4 2366 B5R1.2 NC1COC1 1P0035WN [1,0,0,1,0,0|1,0,0]=3 2367 B5R1.2 NC1COC1 1P00DA6A [1,0,0,1,0,0|1,0,0]=3 2368 B5R1.2 NC1CSC1 1P000YWC [1,0,0,1,0,0|1,1,0]=4 2369 B5R1.2 O=C1COC1 1P0036MN [1,0,0,1,0,0|0,0,2]=4 2370 B5R1.2 OC1CCC1 1P002Y3Q [1,0,0,1,0,0|1,0,0]=3 2371 B5R1.2 OC1CNC1 1P00346P [1,0,0,1,0,0|1,0,0]=3 2372 B5R1.2 OC1CNC1 1P00704V [1,0,0,1,0,0|1,0,0]=3 2373 B5R1.2 OC1COC1 1P0035WM [1,0,0,1,0,0|0,0,0]=2 2374 B5R1.2 OC1CSC1 1P007IKA [1,0,0,1,0,0|0,1,0]=3 2375 B5R1.2 SC1CCC1 1P00FNJK [1,0,0,1,0,0|1,1,0]=4 2376 B5R1.2 SC1CNC1 1P0027EV [1,0,0,1,0,0|1,1,0]=4 2377 B5R1.2 SC1COC1 1P003ANX [1,0,0,1,0,0|0,1,0]=3 2378 B5R1.2 SC1CSC1 1P0291I0 [1,0,0,1,0,0|0,2,0]=4 2379 B5R1.3 BrCC1CC1 1P0032TU [1,0,0,1,0,0|2,0,0]=4 2380 B5R1.3 BrCC1CO1 1P00384F [1,0,0,1,0,0|1,0,0]=3 2381 B5R1.3 C1OC1C=O 1P005XGG [1,0,0,1,0,0|0,0,2]=4 2382 B5R1.3 C=CC1CO1 1P0033ZJ [1,0,0,1,0,0|1,0,1]=4 2383 B5R1.3 C=C[C@@H]1CO1 1P00EI3M [1,0,0,1,0,0|1,0,1]=4 2384 B5R1.3 C=C[C@H]1CO1 1P003D20 [1,0,0,1,0,0|1,0,1]=4 2385 B5R1.3 CCC1CO1 1P0083BM [1,0,0,1,0,0|1,0,0]=3 2386 B5R1.3 CC[C@@H]1CN1 1P01GOIJ [1,0,0,1,0,0|2,0,0]=4 2387 B5R1.3 CC[C@@H]1CO1 1P0032UL [1,0,0,1,0,0|1,0,0]=3 2388 B5R1.3 CC[C@H]1CN1 1P01R331 [1,0,0,1,0,0|2,0,0]=4 2389 B5R1.3 CC[C@H]1CO1 1P003150 [1,0,0,1,0,0|1,0,0]=3 2390 B5R1.3 ClCC1CC1 1P0032TW [1,0,0,1,0,0|2,0,0]=4 2391 B5R1.3 ClCC1CO1 1P003A48 [1,0,0,1,0,0|1,0,0]=3 2392 B5R1.3 ClCC1CO1 1P00G2O5 [1,0,0,1,0,0|1,0,0]=3 2393 B5R1.3 ClCC1CS1 1P019DDD [1,0,0,1,0,0|1,1,0]=4 2394 B5R1.3 ClC[C@@H]1CO1 1P0032XR [1,0,0,1,0,0|1,0,0]=3 2395 B5R1.3 ClC[C@H]1CO1 1P0032UE [1,0,0,1,0,0|1,0,0]=3 2396 B5R1.3 FCC1CO1 1P0035A3 [1,0,0,1,0,0|1,0,0]=3 2397 B5R1.3 FC[C@@H]1CO1 1P000VEV [1,0,0,1,0,0|1,0,0]=3 2398 B5R1.3 FC[C@H]1CO1 1P004SJY [1,0,0,1,0,0|1,0,0]=3 2399 B5R1.3 ICC1CC1 1P003CI3 [1,0,0,1,0,0|2,0,0]=4 2400 B5R1.3 NCC1CC1 1P002R5U [1,0,0,1,0,0|2,0,0]=4 2401 B5R1.3 NCC1CC1 1P003PNJ [1,0,0,1,0,0|2,0,0]=4 2402 B5R1.3 NCC1CN1 1P01HYVN [1,0,0,1,0,0|2,0,0]=4 2403 B5R1.3 OCC1CC1 1P002R60 [1,0,0,1,0,0|1,0,0]=3 2404 B5R1.3 OCC1CO1 1P0037PU [1,0,0,1,0,0|0,0,0]=2 2405 B5R1.3 OC[C@@H]1CO1 1P00393P [1,0,0,1,0,0|0,0,0]=2 2406 B5R1.3 ONC1CC1 1P028DAK [1,0,0,1,0,0|2,0,0]=4 2407 B5R1.3 SCC1CC1 1P00DMJQ [1,0,0,1,0,0|1,1,0]=4 2408 B5R1.3 [NH3+]CC1CC1 1P008R2Q [1,0,0,1,0,0|2,0,0]=4 2409 B5R1.4 CC1CC1Br 1P019STV [1,0,0,1,0,0|2,0,0]=4 2410 B5R1.4 CC1CC1I 1P028A9B [1,0,0,1,0,0|2,0,0]=4 2411 B5R1.4 CC1CC1N 1P00ICCM [1,0,0,1,0,0|2,0,0]=4 2412 B5R1.4 CC1CC1O 1P01E0DQ [1,0,0,1,0,0|1,0,0]=3 2413 B5R1.4 C[C@@H]1C[C@@H]1N 1P024TSQ [1,0,0,1,0,0|2,0,0]=4 2414 B5R1.4 C[C@@H]1C[C@H]1N 1P00IKE0 [1,0,0,1,0,0|2,0,0]=4 2415 B5R1.4 C[C@@H]1C[C@H]1O 1P028IRA [1,0,0,1,0,0|1,0,0]=3 2416 B5R1.4 C[C@@H]1O[C@@H]1C 1P0021OE [1,0,0,1,0,0|1,0,0]=3 2417 B5R1.4 C[C@@H]1O[C@H]1C 1P003669 [1,0,0,1,0,0|1,0,0]=3 2418 B5R1.4 NC1CC1F 1P01JO45 [1,0,0,1,0,0|2,0,0]=4 2419 B5R1.4 N[C@@H]1C[C@@H]1F 1P001G96 [1,0,0,1,0,0|2,0,0]=4 2420 B5R1.4 N[C@@H]1C[C@@H]1N 1P00F6FM [1,0,0,1,0,0|2,0,0]=4 2421 B5R1.4 N[C@@H]1C[C@@H]1O 1P027UM8 [1,0,0,1,0,0|1,0,0]=3 2422 B5R1.4 N[C@@H]1C[C@H]1F 1P00HD8J [1,0,0,1,0,0|2,0,0]=4 2423 B5R1.4 N[C@@H]1C[C@H]1O 1P027VA4 [1,0,0,1,0,0|1,0,0]=3 2424 B5R1.4 N[C@H]1C[C@@H]1F 1P01JVEE [1,0,0,1,0,0|2,0,0]=4 2425 B5R1.4 N[C@H]1C[C@H]1F 1P01JVEQ [1,0,0,1,0,0|2,0,0]=4 2426 B5R1.4 O[C@@H]1C[C@@H]1Cl 1P01DQSZ [1,0,0,1,0,0|1,0,0]=3 2427 B5R1.5 CC1(Br)CC1 1P00IL5R [1,0,0,1,0,0|2,0,0]=4 2428 B5R1.5 CC1(C)NC1 1P002U8Q [1,0,0,1,0,0|2,0,0]=4 2429 B5R1.5 CC1(C)OC1 1P003RJS [1,0,0,1,0,0|1,0,0]=3 2430 B5R1.5 CC1(C)SC1 1P003RJT [1,0,0,1,0,0|1,1,0]=4 2431 B5R1.5 CC1(N)CC1 1P00339U [1,0,0,1,0,0|2,0,0]=4 2432 B5R1.5 CC1(O)CC1 1P002Z3W [1,0,0,1,0,0|1,0,0]=3 2433 B5R1.5 NC1(O)CC1 1P01I9LK [1,0,0,1,0,0|2,0,0]=4 2434 B5R1.1 C1CC=CC1 1P003PN5 [1,0,0,1,0,0|2,0,0]=4 2435 B5R1.1 C1CCCN1 1P002R3M [1,0,0,1,0,0|2,0,0]=4 2436 B5R1.1 C1CCCN1 1P00IN0G [1,0,0,1,0,0|2,0,0]=4 2437 B5R1.1 C1CCCN1 1P00IN0H [1,0,0,1,0,0|2,0,0]=4 2438 B5R1.1 C1CCCO1 1P0005PN [1,0,0,1,0,0|1,0,0]=3 2439 B5R1.1 C1CCCO1 1P0032EK [1,0,0,1,0,0|1,0,0]=3 2440 B5R1.1 C1CCCO1 1P00364V [1,0,0,1,0,0|1,0,0]=3 2441 B5R1.1 C1CCCO1 1P003V3W [1,0,0,1,0,0|1,0,0]=3 2442 B5R1.1 C1CCCO1 1P003V3X [1,0,0,1,0,0|1,0,0]=3 2443 B5R1.1 C1CCCO1 1P00AOW1 [1,0,0,1,0,0|1,0,0]=3 2444 B5R1.1 C1CCCO1 1P00I0J7 [1,0,0,1,0,0|1,0,0]=3 2445 B5R1.1 C1CCCP1 1P007DMB [1,0,0,1,0,0|2,0,0]=4 2446 B5R1.1 C1CCCS1 1P007EKR [1,0,0,1,0,0|1,1,0]=4 2447 B5R1.1 C1CCNO1 1P0078J8 [1,0,0,1,0,0|1,0,0]=3 2448 B5R1.1 C1CNNC1 1P003UIF [1,0,0,1,0,0|2,0,0]=4 2449 B5R1.1 C1NCCO1 1P00DJX9 [1,0,0,1,0,0|2,0,0]=4 2450 B5R1.1 C1OCCS1 1P002KOW [1,0,0,1,0,0|2,0,0]=4 2451 B7R1.1 BrCC1CCCO1 1P000ITE [0,1,0,1,0,0|2,0,0]=4 2452 B7R1.1 BrCC1COCC1 1P001WHG [0,1,0,1,0,0|2,0,0]=4 2453 B7R1.1 BrCC1OCCO1 1P003P0S [0,1,0,1,0,0|2,0,0]=4 2454 B7R1.1 BrC[C@@H]1CCCO1 1P01IM3G [0,1,0,1,0,0|2,0,0]=4 2455 B7R1.1 BrC[C@@H]1COCC1 1P020LT7 [0,1,0,1,0,0|2,0,0]=4 2456 B7R1.1 BrC[C@H]1CCCO1 1P00IUP9 [0,1,0,1,0,0|2,0,0]=4 2457 B7R1.1 BrC[C@H]1COCC1 1P020LT9 [0,1,0,1,0,0|2,0,0]=4 2458 B7R1.1 C#CC1COCC1 1P00HC4Y [0,1,0,1,0,0|2,0,0]=4 2459 B7R1.1 CNC1COCC1 1P006OGE [0,1,0,1,0,0|2,0,0]=4 2460 B7R1.1 CNC1COCC1 1P00GUC5 [0,1,0,1,0,0|2,0,0]=4 2461 B7R1.1 CN[C@@H]1COCC1 1P000ZGV [0,1,0,1,0,0|2,0,0]=4 2462 B7R1.1 CN[C@H]1COCC1 1P000ZGS [0,1,0,1,0,0|2,0,0]=4 2463 B7R1.1 COC1CCCC1 1P0035LM [0,1,0,1,0,0|2,0,0]=4 2464 B7R1.1 COC1CNCC1 1P0012QM [0,1,0,1,0,0|2,0,0]=4 2465 B7R1.1 COC1CNCC1 1P00EDNA [0,1,0,1,0,0|2,0,0]=4 2466 B7R1.1 CO[C@@H]1CNCC1 1P000QRA [0,1,0,1,0,0|2,0,0]=4 2467 B7R1.1 CO[C@@H]1CNCC1 1P006397 [0,1,0,1,0,0|2,0,0]=4 2468 B7R1.1 CO[C@H]1CNCC1 1P000QRB [0,1,0,1,0,0|2,0,0]=4 2469 B7R1.1 CO[C@H]1CNCC1 1P0037NR [0,1,0,1,0,0|2,0,0]=4 2470 B7R1.1 ClCC1CCCO1 1P003V5P [0,1,0,1,0,0|2,0,0]=4 2471 B7R1.1 ClCC1COCC1 1P00GUC8 [0,1,0,1,0,0|2,0,0]=4 2472 B7R1.1 ClCC1COCO1 1P0082VB [0,1,0,1,0,0|1,0,0]=3 2473 B7R1.1 ClCC1OCCO1 1P00I5DA [0,1,0,1,0,0|2,0,0]=4 2474 B7R1.1 ICC1CCCO1 1P00EBHK [0,1,0,1,0,0|2,0,0]=4 2475 B7R1.1 ICC1COCC1 1P0038AU [0,1,0,1,0,0|2,0,0]=4 2476 B7R1.1 N#CC1COCC1 1P001ED4 [0,1,0,1,0,0|2,0,0]=4 2477 B7R1.1 N#C[C@@H]1COCC1 1P00HUZB [0,1,0,1,0,0|2,0,0]=4 2478 B7R1.1 N#C[C@H]1COCC1 1P00124O [0,1,0,1,0,0|2,0,0]=4 2479 B7R1.1 NCC1CCCO1 1P003IEL [0,1,0,1,0,0|2,0,0]=4 2480 B7R1.1 NCC1CCCO1 1P01B53G [0,1,0,1,0,0|2,0,0]=4 2481 B7R1.1 NCC1COCC1 1P001WHF [0,1,0,1,0,0|2,0,0]=4 2482 B7R1.1 NCC1COCC1 1P00APKV [0,1,0,1,0,0|2,0,0]=4 2483 B7R1.1 NCC1COCO1 1P01C3C7 [0,1,0,1,0,0|1,0,0]=3 2484 B7R1.1 NCC1OCCO1 1P003FFJ [0,1,0,1,0,0|2,0,0]=4 2485 B7R1.1 NC[C@@H]1CCCO1 1P003CYT [0,1,0,1,0,0|2,0,0]=4 2486 B7R1.1 NC[C@@H]1CCCO1 1P00C31K [0,1,0,1,0,0|2,0,0]=4 2487 B7R1.1 NC[C@@H]1COCC1 1P001CGW [0,1,0,1,0,0|2,0,0]=4 2488 B7R1.1 NC[C@@H]1COCC1 1P008RTI [0,1,0,1,0,0|2,0,0]=4 2489 B7R1.1 NC[C@H]1CCCO1 1P01APNK [0,1,0,1,0,0|2,0,0]=4 2490 B7R1.1 NC[C@H]1COCC1 1P008RTH [0,1,0,1,0,0|2,0,0]=4 2491 B7R1.1 NC[C@H]1COCC1 1P00IL9J [0,1,0,1,0,0|2,0,0]=4 2492 B7R1.1 NNC1COCC1 1P001QCD [0,1,0,1,0,0|2,0,0]=4 2493 B7R1.1 NNC1COCC1 1P007PLZ [0,1,0,1,0,0|2,0,0]=4 2494 B7R1.1 NOC1CC=CC1 1P028E85 [0,1,0,1,0,0|2,0,0]=4 2495 B7R1.1 NOC1CCCC1 1P0058VS [0,1,0,1,0,0|2,0,0]=4 2496 B7R1.1 NOC1COCC1 1P01A74K [0,1,0,1,0,0|1,0,0]=3 2497 B7R1.1 NOC1COCC1 1P028JEY [0,1,0,1,0,0|1,0,0]=3 2498 B7R1.1 O=CC1COCC1 1P00G5BD [0,1,0,1,0,0|1,0,1]=4 2499 B7R1.1 OCC1=NOCC1 1P0291SV [0,1,0,1,0,0|1,0,1]=4 2500 B7R1.1 OCC1CC=CC1 1P002R0D [0,1,0,1,0,0|2,0,0]=4 2501 B7R1.1 OCC1CCC=C1 1P0012O5 [0,1,0,1,0,0|2,0,0]=4 2502 B7R1.1 OCC1CCCC1 1P00354O [0,1,0,1,0,0|2,0,0]=4 2503 B7R1.1 OCC1CCCN1 1P00D8LK [0,1,0,1,0,0|2,0,0]=4 2504 B7R1.1 OCC1CCCO1 1P003V5N [0,1,0,1,0,0|1,0,0]=3 2505 B7R1.1 OCC1CCCS1 1P00D41W [0,1,0,1,0,0|1,1,0]=4 2506 B7R1.1 OCC1CCON1 1P01EKGH [0,1,0,1,0,0|1,0,0]=3 2507 B7R1.1 OCC1CNCC1 1P001L6R [0,1,0,1,0,0|2,0,0]=4 2508 B7R1.1 OCC1CNCC1 1P003KD2 [0,1,0,1,0,0|2,0,0]=4 2509 B7R1.1 OCC1CNCC1 1P00EB7Y [0,1,0,1,0,0|2,0,0]=4 2510 B7R1.1 OCC1CNNC1 1P0280T1 [0,1,0,1,0,0|2,0,0]=4 2511 B7R1.1 OCC1COCC1 1P001QLQ [0,1,0,1,0,0|1,0,0]=3 2512 B7R1.1 OCC1COCO1 1P00IA87 [0,1,0,1,0,0|0,0,0]=2 2513 B7R1.1 OCC1CSCC1 1P01A0OB [0,1,0,1,0,0|1,1,0]=4 2514 B7R1.1 OCC1NCC=C1 1P009E8W [0,1,0,1,0,0|2,0,0]=4 2515 B7R1.1 OCC1NCCS1 1P0281VP [0,1,0,1,0,0|1,1,0]=4 2516 B7R1.1 OCC1OCCO1 1P00EGQV [0,1,0,1,0,0|1,0,0]=3 2517 B7R1.1 OC[C@@H]1CCCN1 1P0032WM [0,1,0,1,0,0|2,0,0]=4 2518 B7R1.1 OC[C@@H]1CCCO1 1P0036G1 [0,1,0,1,0,0|1,0,0]=3 2519 B7R1.1 OC[C@@H]1CNCC1 1P000ZXR [0,1,0,1,0,0|2,0,0]=4 2520 B7R1.1 OC[C@@H]1CNCC1 1P003D28 [0,1,0,1,0,0|2,0,0]=4 2521 B7R1.1 OC[C@@H]1COCC1 1P009DDU [0,1,0,1,0,0|1,0,0]=3 2522 B7R1.1 OC[C@H]1CCCN1 1P003CKM [0,1,0,1,0,0|2,0,0]=4 2523 B7R1.1 OC[C@H]1CCCN1 1P00ACI8 [0,1,0,1,0,0|2,0,0]=4 2524 B7R1.1 OC[C@H]1CCCO1 1P0032UH [0,1,0,1,0,0|1,0,0]=3 2525 B7R1.1 OC[C@H]1CNCC1 1P000JI5 [0,1,0,1,0,0|2,0,0]=4 2526 B7R1.1 OC[C@H]1CNCC1 1P003CQ3 [0,1,0,1,0,0|2,0,0]=4 2527 B7R1.1 OC[C@H]1COCC1 1P000MEF [0,1,0,1,0,0|1,0,0]=3 2528 B7R1.1 ONC1CCCC1 1P00IB6K [0,1,0,1,0,0|2,0,0]=4 2529 B7R1.1 ONC1COCC1 1P01BCYW [0,1,0,1,0,0|1,0,0]=3 2530 B7R1.1 SCC1COCC1 1P00DKQ0 [0,1,0,1,0,0|1,1,0]=4 2531 B7R1.1 SCC1OCCO1 1P0289U9 [0,1,0,1,0,0|1,1,0]=4 2532 B7R1.1 SC[C@H]1CCCO1 1P028TPO [0,1,0,1,0,0|1,1,0]=4 2533 B7R1.1 [C-]#[N+]C1COCC1 1P028V4O [0,1,0,1,0,0|2,0,0]=4 2534 B7R1.2 CC1CC(=O)OC1 1P00ARBT [0,1,0,1,0,0|1,0,1]=4 2535 B7R1.2 CC1CCC(C1)O 1P003K7U [0,1,0,1,0,0|2,0,0]=4 2536 B7R1.2 CC1OCC(O1)C 1P00CARO [0,1,0,1,0,0|2,0,0]=4 2537 B7R1.2 CN1CCC(C1)O 1P0010TJ [0,1,0,1,0,0|2,0,0]=4 2538 B7R1.2 CN1CC[C@@H](C1)O 1P0032WL [0,1,0,1,0,0|2,0,0]=4 2539 B7R1.2 CN1CC[C@H](C1)O 1P0039GS [0,1,0,1,0,0|2,0,0]=4 2540 B7R1.2 C[C@H]1CC(=O)OC1 1P00EB7B [0,1,0,1,0,0|1,0,1]=4 2541 B7R1.2 NC1CC(=O)OC1 1P00A9OT [0,1,0,1,0,0|1,0,1]=4 2542 B7R1.2 NC1CCC(C1)O 1P0013HI [0,1,0,1,0,0|2,0,0]=4 2543 B7R1.2 NC1CCC(C1)O 1P003ATO [0,1,0,1,0,0|2,0,0]=4 2544 B7R1.2 NC1COC(C1)C 1P00BBVZ [0,1,0,1,0,0|2,0,0]=4 2545 B7R1.2 NC1COC(C1)C 1P01C3CB [0,1,0,1,0,0|2,0,0]=4 2546 B7R1.2 N[C@@H]1CC(=O)OC1 1P000I8A [0,1,0,1,0,0|1,0,1]=4 2547 B7R1.2 N[C@@H]1CC[C@@H](C1)O 1P000YJ2 [0,1,0,1,0,0|2,0,0]=4 2548 B7R1.2 N[C@@H]1CC[C@@H](C1)O 1P007XRF [0,1,0,1,0,0|2,0,0]=4 2549 B7R1.2 N[C@@H]1CC[C@H](C1)O 1P000MNR [0,1,0,1,0,0|2,0,0]=4 2550 B7R1.2 N[C@H]1CC(=O)OC1 1P000I8B [0,1,0,1,0,0|1,0,1]=4 2551 B7R1.2 N[C@H]1CC[C@@H](C1)O 1P0032SH [0,1,0,1,0,0|2,0,0]=4 2552 B7R1.2 N[C@H]1CC[C@@H](C1)O 1P0039LP [0,1,0,1,0,0|2,0,0]=4 2553 B7R1.2 N[C@H]1CC[C@H](C1)O 1P000XZL [0,1,0,1,0,0|2,0,0]=4 2554 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [0,1,0,1,0,0|1,0,1]=4 2555 B7R1.2 OC1CC(=O)OC1 1P003BUD [0,1,0,1,0,0|0,0,1]=3 2556 B7R1.2 OC1CCC(=O)C1 1P0038LJ [0,1,0,1,0,0|1,0,1]=4 2557 B7R1.2 OC1CCC(C1)Br 1P006X0X [0,1,0,1,0,0|2,0,0]=4 2558 B7R1.2 OC1CCC(C1)O 1P003DZ4 [0,1,0,1,0,0|1,0,0]=3 2559 B7R1.2 OC1CCC(C1)S 1P028T6P [0,1,0,1,0,0|1,1,0]=4 2560 B7R1.2 OC1CNC(C1)C 1P01A1FZ [0,1,0,1,0,0|2,0,0]=4 2561 B7R1.2 OC1CNC(C1)C 1P01BD6F [0,1,0,1,0,0|2,0,0]=4 2562 B7R1.2 O[C@@H]1C=C[C@@H](C1)O 1P003PFT [0,1,0,1,0,0|1,0,1]=4 2563 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [0,1,0,1,0,0|1,0,1]=4 2564 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [0,1,0,1,0,0|0,0,1]=3 2565 B7R1.2 O[C@@H]1CC[C@@H](C1)O 1P001UEV [0,1,0,1,0,0|1,0,0]=3 2566 B7R1.2 O[C@@H]1CC[C@H](C1)O 1P019GHU [0,1,0,1,0,0|1,0,0]=3 2567 B7R1.2 O[C@@H]1CN[C@@H](C1)C 1P00HC8F [0,1,0,1,0,0|2,0,0]=4 2568 B7R1.2 O[C@@H]1CN[C@H](C1)C 1P008ZIO [0,1,0,1,0,0|2,0,0]=4 2569 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [0,1,0,1,0,0|1,0,1]=4 2570 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [0,1,0,1,0,0|0,0,1]=3 2571 B7R1.2 O[C@H]1CN[C@@H](C1)C 1P00GAJW [0,1,0,1,0,0|2,0,0]=4 2572 B7R1.2 O[C@H]1CN[C@H](C1)C 1P00ILSC [0,1,0,1,0,0|2,0,0]=4 2573 B7R1.3 BrC1CCCOC1 1P000UY4 [0,1,0,1,0,0|2,0,0]=4 2574 B7R1.3 BrC1CCOCC1 1P0034FF [0,1,0,1,0,0|2,0,0]=4 2575 B7R1.3 CC1CCOCC1 1P00E0HP [0,1,0,1,0,0|2,0,0]=4 2576 B7R1.3 CC1CCOCN1 1P01EJQY [0,1,0,1,0,0|2,0,0]=4 2577 B7R1.3 CC1CCOCO1 1P003M61 [0,1,0,1,0,0|2,0,0]=4 2578 B7R1.3 CC1COCCN1 1P002GNC [0,1,0,1,0,0|2,0,0]=4 2579 B7R1.3 CC1COCCN1 1P0073P9 [0,1,0,1,0,0|2,0,0]=4 2580 B7R1.3 C[C@@H]1COCCN1 1P0032VW [0,1,0,1,0,0|2,0,0]=4 2581 B7R1.3 C[C@@H]1COCCN1 1P0037B0 [0,1,0,1,0,0|2,0,0]=4 2582 B7R1.3 C[C@H]1COCCN1 1P0007EQ [0,1,0,1,0,0|2,0,0]=4 2583 B7R1.3 C[C@H]1COCCN1 1P0032XT [0,1,0,1,0,0|2,0,0]=4 2584 B7R1.3 ClC1CCCOC1 1P019YWV [0,1,0,1,0,0|2,0,0]=4 2585 B7R1.3 ClC1CCOCC1 1P0025DT [0,1,0,1,0,0|2,0,0]=4 2586 B7R1.3 IC1CCOCC1 1P00BFX2 [0,1,0,1,0,0|2,0,0]=4 2587 B7R1.3 NC1CCCOC1 1P0039S6 [0,1,0,1,0,0|2,0,0]=4 2588 B7R1.3 NC1CCCOC1 1P008TJQ [0,1,0,1,0,0|2,0,0]=4 2589 B7R1.3 NC1CCOCC1 1P0002RI [0,1,0,1,0,0|2,0,0]=4 2590 B7R1.3 NC1CCOCC1 1P0034DI [0,1,0,1,0,0|2,0,0]=4 2591 B7R1.3 NC1CCOCC1 1P0034DJ [0,1,0,1,0,0|2,0,0]=4 2592 B7R1.3 NC1COCOC1 1P01B7QH [0,1,0,1,0,0|1,0,0]=3 2593 B7R1.3 N[C@@H]1CCCOC1 1P000ZV1 [0,1,0,1,0,0|2,0,0]=4 2594 B7R1.3 N[C@H]1CCCOC1 1P000MUB [0,1,0,1,0,0|2,0,0]=4 2595 B7R1.3 OC1CCC=CC1 1P0036YC [0,1,0,1,0,0|2,0,0]=4 2596 B7R1.3 OC1CCCCC1 1P003PLH [0,1,0,1,0,0|2,0,0]=4 2597 B7R1.3 OC1CCCCN1 1P00D9C2 [0,1,0,1,0,0|2,0,0]=4 2598 B7R1.3 OC1CCCCO1 1P00FB2P [0,1,0,1,0,0|2,0,0]=4 2599 B7R1.3 OC1CCCNC1 1P00346W [0,1,0,1,0,0|2,0,0]=4 2600 B7R1.3 OC1CCCNC1 1P00IBS0 [0,1,0,1,0,0|2,0,0]=4 2601 B7R1.3 OC1CCCOC1 1P002BBW [0,1,0,1,0,0|1,0,0]=3 2602 B7R1.3 OC1CCCSC1 1P007QC5 [0,1,0,1,0,0|1,1,0]=4 2603 B7R1.3 OC1CCNCC1 1P0034J6 [0,1,0,1,0,0|2,0,0]=4 2604 B7R1.3 OC1CCNCC1 1P00DEUF [0,1,0,1,0,0|2,0,0]=4 2605 B7R1.3 OC1CCNOC1 1P01FI74 [0,1,0,1,0,0|1,0,0]=3 2606 B7R1.3 OC1CCNOC1 1P028UDA [0,1,0,1,0,0|1,0,0]=3 2607 B7R1.3 OC1CCOCC1 1P002JYI [0,1,0,1,0,0|1,0,0]=3 2608 B7R1.3 OC1CCONC1 1P01FI2N [0,1,0,1,0,0|1,0,0]=3 2609 B7R1.3 OC1CCONC1 1P028Y01 [0,1,0,1,0,0|1,0,0]=3 2610 B7R1.3 OC1CCSCC1 1P002ZKU [0,1,0,1,0,0|1,1,0]=4 2611 B7R1.3 OC1CNCCO1 1P0038W1 [0,1,0,1,0,0|2,0,0]=4 2612 B7R1.3 OC1COCC=C1 1P00E6GS [0,1,0,1,0,0|1,0,1]=4 2613 B7R1.3 OC1COCOC1 1P019VAG [0,1,0,1,0,0|0,0,0]=2 2614 B7R1.3 OC1CSCSC1 1P01ISDS [0,1,0,1,0,0|0,2,0]=4 2615 B7R1.3 ON1CCOCC1 1P00EZ6W [0,1,0,1,0,0|2,0,0]=4 2616 B7R1.3 O[C@@H]1CCCNC1 1P002CAH [0,1,0,1,0,0|2,0,0]=4 2617 B7R1.3 O[C@@H]1CCCNC1 1P00EIV4 [0,1,0,1,0,0|2,0,0]=4 2618 B7R1.3 O[C@@H]1CCCOC1 1P0003PN [0,1,0,1,0,0|1,0,0]=3 2619 B7R1.3 O[C@H]1CCCNC1 1P003D2O [0,1,0,1,0,0|2,0,0]=4 2620 B7R1.3 O[C@H]1CCCNC1 1P00I54D [0,1,0,1,0,0|2,0,0]=4 2621 B7R1.3 O[C@H]1CCCOC1 1P00FFT0 [0,1,0,1,0,0|1,0,0]=3 2622 B7R1.3 SC1CCCOC1 1P00CY91 [0,1,0,1,0,0|1,1,0]=4 2623 B7R1.3 SC1CCOCC1 1P00297Q [0,1,0,1,0,0|1,1,0]=4 2624 B7R1.4 BrC1CCCC1O 1P005CWJ [0,1,0,1,0,0|2,0,0]=4 2625 B7R1.4 BrC1COCC1O 1P01BI5C [0,1,0,1,0,0|1,0,0]=3 2626 B7R1.4 Br[C@@H]1CCC[C@@H]1O 1P00BWF7 [0,1,0,1,0,0|2,0,0]=4 2627 B7R1.4 Br[C@@H]1COC[C@H]1O 1P000BRK [0,1,0,1,0,0|1,0,0]=3 2628 B7R1.4 Br[C@H]1COC[C@H]1F 1P02884I [0,1,0,1,0,0|2,0,0]=4 2629 B7R1.4 C=C1COCC1O 1P028FM7 [0,1,0,1,0,0|1,0,1]=4 2630 B7R1.4 ClC1OCCC1Cl 1P003FYI [0,1,0,1,0,0|2,0,0]=4 2631 B7R1.4 Cl[C@@H]1CCC[C@@H]1O 1P007QXK [0,1,0,1,0,0|2,0,0]=4 2632 B7R1.4 F[C@@H]1CCC[C@H]1O 1P007NEZ [0,1,0,1,0,0|2,0,0]=4 2633 B7R1.4 F[C@@H]1CNC[C@@H]1O 1P00HXDM [0,1,0,1,0,0|2,0,0]=4 2634 B7R1.4 F[C@@H]1CNC[C@H]1O 1P002DCF [0,1,0,1,0,0|2,0,0]=4 2635 B7R1.4 F[C@@H]1COC[C@H]1N 1P028EHH [0,1,0,1,0,0|2,0,0]=4 2636 B7R1.4 F[C@@H]1COC[C@H]1O 1P00I0ET [0,1,0,1,0,0|1,0,0]=3 2637 B7R1.4 F[C@H]1CCC[C@@H]1O 1P01ALS0 [0,1,0,1,0,0|2,0,0]=4 2638 B7R1.4 F[C@H]1CNC[C@@H]1O 1P002FDT [0,1,0,1,0,0|2,0,0]=4 2639 B7R1.4 F[C@H]1CNC[C@H]1O 1P01DL3T [0,1,0,1,0,0|2,0,0]=4 2640 B7R1.4 F[C@H]1COC[C@@H]1N 1P01DHWS [0,1,0,1,0,0|2,0,0]=4 2641 B7R1.4 F[C@H]1COC[C@H]1N 1P01EK0H [0,1,0,1,0,0|2,0,0]=4 2642 B7R1.4 I[C@@H]1CCC[C@H]1O 1P027UTY [0,1,0,1,0,0|2,0,0]=4 2643 B7R1.4 NC1COCC1C 1P01B6KT [0,1,0,1,0,0|2,0,0]=4 2644 B7R1.4 N[C@@H]1CCO[C@@H]1C 1P00I0QF [0,1,0,1,0,0|2,0,0]=4 2645 B7R1.4 N[C@@H]1COC[C@@H]1N 1P0013IL [0,1,0,1,0,0|2,0,0]=4 2646 B7R1.4 N[C@@H]1COC[C@@H]1N 1P00AHE0 [0,1,0,1,0,0|2,0,0]=4 2647 B7R1.4 N[C@@H]1COC[C@H]1N 1P000EB7 [0,1,0,1,0,0|2,0,0]=4 2648 B7R1.4 N[C@@H]1COC[C@H]1N 1P0013II [0,1,0,1,0,0|2,0,0]=4 2649 B7R1.4 N[C@H]1COC[C@@H]1N 1P00DWQL [0,1,0,1,0,0|2,0,0]=4 2650 B7R1.4 N[C@H]1COC[C@H]1C 1P0280JR [0,1,0,1,0,0|2,0,0]=4 2651 B7R1.4 O=C1OCCC1O 1P00I3IV [0,1,0,1,0,0|0,0,2]=4 2652 B7R1.4 O=C1OCC[C@@H]1O 1P00DEAA [0,1,0,1,0,0|0,0,2]=4 2653 B7R1.4 O=C1OCC[C@H]1O 1P0032VV [0,1,0,1,0,0|0,0,2]=4 2654 B7R1.4 OC1CCCC1C 1P003I5T [0,1,0,1,0,0|2,0,0]=4 2655 B7R1.4 OC1CCCC1N 1P0063PU [0,1,0,1,0,0|2,0,0]=4 2656 B7R1.4 OC1CCCC1O 1P003DTU [0,1,0,1,0,0|1,0,0]=3 2657 B7R1.4 OC1CCOC1C 1P01ADF1 [0,1,0,1,0,0|1,0,0]=3 2658 B7R1.4 OC1CCSC1C 1P019UA5 [0,1,0,1,0,0|1,1,0]=4 2659 B7R1.4 OC1CNCC1C 1P00B7NZ [0,1,0,1,0,0|2,0,0]=4 2660 B7R1.4 OC1CNCC1N 1P00GAL6 [0,1,0,1,0,0|2,0,0]=4 2661 B7R1.4 OC1CNCC1O 1P019ZAG [0,1,0,1,0,0|1,0,0]=3 2662 B7R1.4 OC1CNCC1O 1P01BEZ4 [0,1,0,1,0,0|1,0,0]=3 2663 B7R1.4 OC1COCC1N 1P000W1Z [0,1,0,1,0,0|1,0,0]=3 2664 B7R1.4 OC1COCC1N 1P001KPS [0,1,0,1,0,0|1,0,0]=3 2665 B7R1.4 OC1COCC1O 1P003IYI [0,1,0,1,0,0|0,0,0]=2 2666 B7R1.4 O[C@@H]1CCC[C@@H]1C 1P002R27 [0,1,0,1,0,0|2,0,0]=4 2667 B7R1.4 O[C@@H]1CCC[C@@H]1N 1P0013H6 [0,1,0,1,0,0|2,0,0]=4 2668 B7R1.4 O[C@@H]1CCC[C@@H]1O 1P00DCJ3 [0,1,0,1,0,0|1,0,0]=3 2669 B7R1.4 O[C@@H]1CCC[C@H]1C 1P002R28 [0,1,0,1,0,0|2,0,0]=4 2670 B7R1.4 O[C@@H]1CCC[C@H]1N 1P003662 [0,1,0,1,0,0|2,0,0]=4 2671 B7R1.4 O[C@@H]1CCC[C@H]1O 1P003BES [0,1,0,1,0,0|1,0,0]=3 2672 B7R1.4 O[C@@H]1CCN[C@H]1C 1P01B8DB [0,1,0,1,0,0|2,0,0]=4 2673 B7R1.4 O[C@@H]1CNC[C@@H]1O 1P0039YU [0,1,0,1,0,0|1,0,0]=3 2674 B7R1.4 O[C@@H]1CNC[C@H]1C 1P028P0R [0,1,0,1,0,0|2,0,0]=4 2675 B7R1.4 O[C@@H]1CNC[C@H]1N 1P028GSI [0,1,0,1,0,0|2,0,0]=4 2676 B7R1.4 O[C@@H]1CNC[C@H]1O 1P003APN [0,1,0,1,0,0|1,0,0]=3 2677 B7R1.4 O[C@@H]1CNC[C@H]1O 1P00ADCF [0,1,0,1,0,0|1,0,0]=3 2678 B7R1.4 O[C@@H]1COC[C@@H]1N 1P00DWPL [0,1,0,1,0,0|1,0,0]=3 2679 B7R1.4 O[C@@H]1COC[C@@H]1N 1P00ILJZ [0,1,0,1,0,0|1,0,0]=3 2680 B7R1.4 O[C@@H]1COC[C@@H]1O 1P003ACE [0,1,0,1,0,0|0,0,0]=2 2681 B7R1.4 O[C@@H]1COC[C@H]1C 1P028HPJ [0,1,0,1,0,0|1,0,0]=3 2682 B7R1.4 O[C@@H]1COC[C@H]1N 1P003AXA [0,1,0,1,0,0|1,0,0]=3 2683 B7R1.4 O[C@@H]1COC[C@H]1N 1P01BD0K [0,1,0,1,0,0|1,0,0]=3 2684 B7R1.4 O[C@H]1CCC[C@@H]1C 1P01E8JT [0,1,0,1,0,0|2,0,0]=4 2685 B7R1.4 O[C@H]1CCC[C@@H]1N 1P003663 [0,1,0,1,0,0|2,0,0]=4 2686 B7R1.4 O[C@H]1CCC[C@@H]1N 1P00EI3F [0,1,0,1,0,0|2,0,0]=4 2687 B7R1.4 O[C@H]1CCC[C@@H]1N 1P00I6HD [0,1,0,1,0,0|2,0,0]=4 2688 B7R1.4 O[C@H]1CCC[C@@H]1O 1P00E936 [0,1,0,1,0,0|1,0,0]=3 2689 B7R1.4 O[C@H]1CCC[C@H]1N 1P00352Q [0,1,0,1,0,0|2,0,0]=4 2690 B7R1.4 O[C@H]1CCN[C@@H]1C 1P01PAQL [0,1,0,1,0,0|2,0,0]=4 2691 B7R1.4 O[C@H]1CCN[C@H]1C 1P01E88W [0,1,0,1,0,0|2,0,0]=4 2692 B7R1.4 O[C@H]1CNC[C@@H]1C 1P002TYQ [0,1,0,1,0,0|2,0,0]=4 2693 B7R1.4 O[C@H]1CNC[C@@H]1O 1P002UW7 [0,1,0,1,0,0|1,0,0]=3 2694 B7R1.4 O[C@H]1CNC[C@@H]1O 1P006E9R [0,1,0,1,0,0|1,0,0]=3 2695 B7R1.4 O[C@H]1CNC[C@H]1C 1P002TZU [0,1,0,1,0,0|2,0,0]=4 2696 B7R1.4 O[C@H]1CNC[C@H]1C 1P01K8GK [0,1,0,1,0,0|2,0,0]=4 2697 B7R1.4 O[C@H]1COC[C@@H]1C 1P00I856 [0,1,0,1,0,0|1,0,0]=3 2698 B7R1.4 O[C@H]1COC[C@@H]1N 1P002FAF [0,1,0,1,0,0|1,0,0]=3 2699 B7R1.4 O[C@H]1COC[C@@H]1N 1P00BFVI [0,1,0,1,0,0|1,0,0]=3 2700 B7R1.4 O[C@H]1COC[C@@H]1N 1P00C780 [0,1,0,1,0,0|1,0,0]=3 2701 B7R1.4 O[C@H]1COC[C@@H]1O 1P004ZNU [0,1,0,1,0,0|0,0,0]=2 2702 B7R1.4 O[C@H]1COC[C@H]1C 1P027N5M [0,1,0,1,0,0|1,0,0]=3 2703 B7R1.4 O[C@H]1COC[C@H]1N 1P00AEA6 [0,1,0,1,0,0|1,0,0]=3 2704 B7R1.4 SC1CCOC1C 1P003I7F [0,1,0,1,0,0|1,1,0]=4 2705 B7R1.5 COC[C@@H]1C[C@H]1N 1P0288YF [0,1,0,1,0,0|2,0,0]=4 2706 B7R1.5 COC[C@@H]1C[C@H]1N 1P028INU [0,1,0,1,0,0|2,0,0]=4 2707 B7R1.5 COC[C@H]1C[C@@H]1N 1P028F77 [0,1,0,1,0,0|2,0,0]=4 2708 B7R1.6 BrCCC1COC1 1P0204ZL [0,1,0,1,0,0|2,0,0]=4 2709 B7R1.6 C#CCC1COC1 1P028NA0 [0,1,0,1,0,0|2,0,0]=4 2710 B7R1.6 CCNC1COC1 1P00AB09 [0,1,0,1,0,0|2,0,0]=4 2711 B7R1.6 CNCC1CCO1 1P01XAB4 [0,1,0,1,0,0|2,0,0]=4 2712 B7R1.6 CNCC1COC1 1P001DB9 [0,1,0,1,0,0|2,0,0]=4 2713 B7R1.6 CNC[C@@H]1CCO1 1P0285XI [0,1,0,1,0,0|2,0,0]=4 2714 B7R1.6 CNC[C@H]1CCO1 1P028S78 [0,1,0,1,0,0|2,0,0]=4 2715 B7R1.6 COCC1CCN1 1P000Z8C [0,1,0,1,0,0|2,0,0]=4 2716 B7R1.6 COCC1CCN1 1P01AMGU [0,1,0,1,0,0|2,0,0]=4 2717 B7R1.6 COCC1CNC1 1P00660V [0,1,0,1,0,0|2,0,0]=4 2718 B7R1.6 COC[C@@H]1CCN1 1P00II4T [0,1,0,1,0,0|2,0,0]=4 2719 B7R1.6 COC[C@H]1CCN1 1P00II4W [0,1,0,1,0,0|2,0,0]=4 2720 B7R1.6 ICCC1CCO1 1P01JUQV [0,1,0,1,0,0|2,0,0]=4 2721 B7R1.6 ICCC1COC1 1P01DZDP [0,1,0,1,0,0|2,0,0]=4 2722 B7R1.6 N#CCC1COC1 1P01DZ5B [0,1,0,1,0,0|2,0,0]=4 2723 B7R1.6 NCCC1CCO1 1P00ILQY [0,1,0,1,0,0|2,0,0]=4 2724 B7R1.6 NCCC1COC1 1P000O0R [0,1,0,1,0,0|2,0,0]=4 2725 B7R1.6 NCC[C@@H]1CCO1 1P01JUR4 [0,1,0,1,0,0|2,0,0]=4 2726 B7R1.6 NOCC1CCC1 1P01B67G [0,1,0,1,0,0|2,0,0]=4 2727 B7R1.6 NOCC1COC1 1P027UU8 [0,1,0,1,0,0|1,0,0]=3 2728 B7R1.6 O=CCC1COC1 1P00IHU6 [0,1,0,1,0,0|1,0,1]=4 2729 B7R1.6 OCCC1CCC1 1P003AJ0 [0,1,0,1,0,0|2,0,0]=4 2730 B7R1.6 OCCC1CCO1 1P00ILI6 [0,1,0,1,0,0|1,0,0]=3 2731 B7R1.6 OCCC1CNC1 1P00G8QI [0,1,0,1,0,0|2,0,0]=4 2732 B7R1.6 OCCC1CNC1 1P00HYIO [0,1,0,1,0,0|2,0,0]=4 2733 B7R1.6 OCCC1COC1 1P002RA8 [0,1,0,1,0,0|1,0,0]=3 2734 B7R1.6 OCCC1CSC1 1P01BG4T [0,1,0,1,0,0|1,1,0]=4 2735 B7R1.6 OCC[C@@H]1CCO1 1P01JUSQ [0,1,0,1,0,0|1,0,0]=3 2736 B7R1.8 CC1CNC1CO 1P027WZ6 [0,1,0,1,0,0|2,0,0]=4 2737 B7R1.8 CN1CCC1CO 1P01BUP0 [0,1,0,1,0,0|2,0,0]=4 2738 B7R1.8 CN1CC[C@@H]1CO 1P01KA98 [0,1,0,1,0,0|2,0,0]=4 2739 B7R1.8 CN1CC[C@H]1CO 1P000VWA [0,1,0,1,0,0|2,0,0]=4 2740 B7R1.8 CN[C@@H]1CC[C@H]1O 1P024O8G [0,1,0,1,0,0|2,0,0]=4 2741 B7R1.8 CO[C@@H]1CC[C@H]1Br 1P028K6J [0,1,0,1,0,0|2,0,0]=4 2742 B7R1.8 CO[C@@H]1CC[C@H]1O 1P0290K0 [0,1,0,1,0,0|1,0,0]=3 2743 B7R1.8 CO[C@H]1CC[C@@H]1N 1P01KAEY [0,1,0,1,0,0|2,0,0]=4 2744 B7R1.8 CO[C@H]1CC[C@H]1N 1P01KAG0 [0,1,0,1,0,0|2,0,0]=4 2745 B7R1.8 CSC1CCC1O 1P0285L2 [0,1,0,1,0,0|1,1,0]=4 2746 B7R1.8 C[C@@H]1CC[C@@H]1CO 1P029257 [0,1,0,1,0,0|2,0,0]=4 2747 B7R1.8 NC[C@@H]1CC[C@@H]1O 1P028HUW [0,1,0,1,0,0|2,0,0]=4 2748 B7R1.8 NC[C@@H]1CC[C@H]1O 1P028W6T [0,1,0,1,0,0|2,0,0]=4 2749 B7R1.8 NC[C@H]1CC[C@@H]1O 1P027WNT [0,1,0,1,0,0|2,0,0]=4 2750 B7R1.8 NC[C@H]1CC[C@H]1O 1P027WVA [0,1,0,1,0,0|2,0,0]=4 2751 B7R1.8 N[C@@H]1CC[C@@H]1CO 1P028PD3 [0,1,0,1,0,0|2,0,0]=4 2752 B7R1.8 N[C@@H]1CC[C@H]1CO 1P028FJ7 [0,1,0,1,0,0|2,0,0]=4 2753 B7R1.8 OCC1CCC1=O 1P00I4ZH [0,1,0,1,0,0|1,0,1]=4 2754 B7R1.8 OCC1CCC1F 1P01DXWO [0,1,0,1,0,0|2,0,0]=4 2755 B7R1.8 OC[C@@H]1CC[C@H]1O 1P027UXG [0,1,0,1,0,0|1,0,0]=3 2756 B7R1.8 OC[C@@H]1NC[C@H]1O 1P028XO4 [0,1,0,1,0,0|1,0,0]=3 2757 B7R1.8 O[C@@H]1CC[C@@H]1CS 1P0284U2 [0,1,0,1,0,0|1,1,0]=4 2758 B7R1.8 O[C@@H]1CC[C@H]1CS 1P0284O0 [0,1,0,1,0,0|1,1,0]=4 2759 B7R1.9 CCC1OC1CBr 1P028HVD [0,1,0,1,0,0|2,0,0]=4 2760 B7R1.9 CC[C@@H]1C[C@@H]1CO 1P028W6W [0,1,0,1,0,0|2,0,0]=4 2761 B7R1.9 CC[C@@H]1C[C@H]1CO 1P00D3SV [0,1,0,1,0,0|2,0,0]=4 2762 B7R1.9 ClC[C@@H]1O[C@@H]1CCl 1P00JOTB [0,1,0,1,0,0|2,0,0]=4 2763 B7R1.9 NCC1CC1CO 1P00ACAI [0,1,0,1,0,0|2,0,0]=4 2764 B7R1.9 NC[C@@H]1C[C@H]1CO 1P001ZH3 [0,1,0,1,0,0|2,0,0]=4 2765 B7R1.9 NC[C@H]1C[C@H]1CO 1P0007FA [0,1,0,1,0,0|2,0,0]=4 2766 B7R1.9 OCC1CC1C#N 1P0030TX [0,1,0,1,0,0|2,0,0]=4 2767 B7R1.9 OCC1CC1C=C 1P01IP0E [0,1,0,1,0,0|2,0,0]=4 2768 B7R1.9 OC[C@@H]1C[C@@H]1C#C 1P01C3KM [0,1,0,1,0,0|2,0,0]=4 2769 B7R1.9 OC[C@@H]1C[C@@H]1C#N 1P027IXO [0,1,0,1,0,0|2,0,0]=4 2770 B7R1.9 OC[C@@H]1C[C@@H]1CF 1P028T7M [0,1,0,1,0,0|2,0,0]=4 2771 B7R1.9 OC[C@@H]1C[C@@H]1CO 1P002NRN [0,1,0,1,0,0|1,0,0]=3 2772 B7R1.9 OC[C@@H]1C[C@H]1C=C 1P028ITE [0,1,0,1,0,0|2,0,0]=4 2773 B7R1.9 OC[C@@H]1C[C@H]1CO 1P028DQN [0,1,0,1,0,0|1,0,0]=3 2774 B7R1.10 BrCC1CC(=O)O1 1P01B5S1 [0,1,0,1,0,0|1,0,1]=4 2775 B7R1.10 BrCC1CC(C1)O 1P01C40X [0,1,0,1,0,0|2,0,0]=4 2776 B7R1.10 BrC[C@@H]1C[C@H](C1)O 1P0203BD [0,1,0,1,0,0|2,0,0]=4 2777 B7R1.10 CC1CC(N1)CO 1P028MYQ [0,1,0,1,0,0|2,0,0]=4 2778 B7R1.10 CCC1CC(C1)O 1P02830K [0,1,0,1,0,0|2,0,0]=4 2779 B7R1.10 FCC1CC(C1)O 1P020479 [0,1,0,1,0,0|2,0,0]=4 2780 B7R1.10 FC[C@@H]1C[C@@H](C1)O 1P01JUID [0,1,0,1,0,0|2,0,0]=4 2781 B7R1.10 NCC1CC(C1)O 1P001XKC [0,1,0,1,0,0|2,0,0]=4 2782 B7R1.10 NCC1CC(C1)O 1P009WZY [0,1,0,1,0,0|2,0,0]=4 2783 B7R1.10 NC[C@@H]1C[C@@H](C1)O 1P001CGT [0,1,0,1,0,0|2,0,0]=4 2784 B7R1.10 NC[C@@H]1C[C@@H](C1)O 1P00H0OB [0,1,0,1,0,0|2,0,0]=4 2785 B7R1.10 NC[C@@H]1C[C@H](C1)O 1P001CVZ [0,1,0,1,0,0|2,0,0]=4 2786 B7R1.10 OCC1CC(=C)C1 1P01C3J9 [0,1,0,1,0,0|2,0,0]=4 2787 B7R1.10 OCC1CC(=O)C1 1P00288D [0,1,0,1,0,0|1,0,1]=4 2788 B7R1.10 OCC1CC(=O)N1 1P00FCZO [0,1,0,1,0,0|1,0,1]=4 2789 B7R1.10 OCC1CC(C1)Br 1P020M75 [0,1,0,1,0,0|2,0,0]=4 2790 B7R1.10 OCC1CC(C1)C 1P01B7GI [0,1,0,1,0,0|2,0,0]=4 2791 B7R1.10 OCC1CC(C1)Cl 1P001RPD [0,1,0,1,0,0|2,0,0]=4 2792 B7R1.10 OCC1CC(C1)F 1P00HJA6 [0,1,0,1,0,0|2,0,0]=4 2793 B7R1.10 OCC1CC(C1)N 1P000US1 [0,1,0,1,0,0|2,0,0]=4 2794 B7R1.10 OCC1CC(C1)N 1P009DFP [0,1,0,1,0,0|2,0,0]=4 2795 B7R1.10 OCC1CC(C1)O 1P000MRF [0,1,0,1,0,0|1,0,0]=3 2796 B7R1.10 OCC1CN(C1)C 1P001ML1 [0,1,0,1,0,0|2,0,0]=4 2797 B7R1.10 OCC1CN(C1)C 1P01FIC9 [0,1,0,1,0,0|2,0,0]=4 2798 B7R1.10 OC[C@@H]1CC(=O)N1 1P01DEBM [0,1,0,1,0,0|1,0,1]=4 2799 B7R1.10 OC[C@@H]1C[C@@H](C1)N 1P009I21 [0,1,0,1,0,0|2,0,0]=4 2800 B7R1.10 OC[C@@H]1C[C@@H](C1)N 1P009KC1 [0,1,0,1,0,0|2,0,0]=4 2801 B7R1.10 OC[C@@H]1C[C@@H](C1)O 1P007T71 [0,1,0,1,0,0|1,0,0]=3 2802 B7R1.10 OC[C@@H]1C[C@H](C1)F 1P020492 [0,1,0,1,0,0|2,0,0]=4 2803 B7R1.10 OC[C@@H]1C[C@H](C1)N 1P000YJ1 [0,1,0,1,0,0|2,0,0]=4 2804 B7R1.10 OC[C@@H]1C[C@H](C1)N 1P00HHQV [0,1,0,1,0,0|2,0,0]=4 2805 B7R1.10 OC[C@@H]1C[C@H](C1)O 1P024UVD [0,1,0,1,0,0|1,0,0]=3 2806 B7R1.10 OC[C@H]1CC(=O)N1 1P01DE90 [0,1,0,1,0,0|1,0,1]=4 2807 B7R1.15 CC1C(O)CC1O 1P028A9J [0,1,0,1,0,0|1,0,0]=3 2808 B7R1.15 NC1C(O)CC1O 1P028T5Q [0,1,0,1,0,0|1,0,0]=3 2809 B7R1.15 NC1CC(C1C)O 1P029168 [0,1,0,1,0,0|2,0,0]=4 2810 B7R1.15 N[C@@H]1C[C@H]([C@@H]1O)O 1P0293V6 [0,1,0,1,0,0|1,0,0]=3 2811 B7R1.15 N[C@@H]1[C@@H](O)C[C@H]1O 1P027XXU [0,1,0,1,0,0|1,0,0]=3 2812 B7R1.21 BrCCC1(O)CC1 1P000YG6 [0,1,0,1,0,0|2,0,0]=4 2813 B7R1.21 CC1(CCO)CO1 1P01IP7I [0,1,0,1,0,0|1,0,0]=3 2814 B7R1.21 CCOC1(O)CC1 1P001949 [0,1,0,1,0,0|2,0,0]=4 2815 B7R1.21 CNCC1(O)CC1 1P01DW6C [0,1,0,1,0,0|2,0,0]=4 2816 B7R1.21 COCC1(N)CC1 1P00172B [0,1,0,1,0,0|2,0,0]=4 2817 B7R1.21 ICCC1(O)CC1 1P028IXF [0,1,0,1,0,0|2,0,0]=4 2818 B7R1.21 NCCC1(O)CC1 1P028UPQ [0,1,0,1,0,0|2,0,0]=4 2819 B7R1.21 NOCC1(C)CC1 1P027ZOX [0,1,0,1,0,0|2,0,0]=4 2820 B7R1.21 NOCC1(C)CC1 1P028IBM [0,1,0,1,0,0|2,0,0]=4 2821 B7R1.21 OCCC1(C)CC1 1P00I41V [0,1,0,1,0,0|2,0,0]=4 2822 B7R1.21 OCCC1(N)CC1 1P01A3TD [0,1,0,1,0,0|2,0,0]=4 2823 B7R1.21 OCCC1(O)CC1 1P00A7R8 [0,1,0,1,0,0|1,0,0]=3 2824 B7R1.21 SCCC1(O)CC1 1P0285GQ [0,1,0,1,0,0|1,1,0]=4 2825 B7R1.22 CCC(C1CC1)O 1P00ARKQ [0,1,0,1,0,0|2,0,0]=4 2826 B7R1.22 CC[C@@H](C1CC1)O 1P0291PR [0,1,0,1,0,0|2,0,0]=4 2827 B7R1.22 NCC(C1CC1)O 1P017KWA [0,1,0,1,0,0|2,0,0]=4 2828 B7R1.22 NCC(C1CC1)O 1P01X6BJ [0,1,0,1,0,0|2,0,0]=4 2829 B7R1.22 OCC(C1CC1)C 1P01BGG8 [0,1,0,1,0,0|2,0,0]=4 2830 B7R1.22 OCC(C1CC1)N 1P000V7S [0,1,0,1,0,0|2,0,0]=4 2831 B7R1.22 OCC(C1CC1)O 1P01BV42 [0,1,0,1,0,0|1,0,0]=3 2832 B7R1.22 OC[C@@H](C1CC1)N 1P01KIV6 [0,1,0,1,0,0|2,0,0]=4 2833 B7R1.22 OC[C@H](C1CC1)N 1P000Q6D [0,1,0,1,0,0|2,0,0]=4 2834 B7R1.22 OC[C@H](C1CC1)N 1P00AT14 [0,1,0,1,0,0|2,0,0]=4 2835 B7R1.25 BrCC1(C)COC1 1P005BV8 [0,1,0,1,0,0|2,0,0]=4 2836 B7R1.25 BrCC1(F)COC1 1P00H37E [0,1,0,1,0,0|2,0,0]=4 2837 B7R1.25 BrCC1(O)CCC1 1P01C31W [0,1,0,1,0,0|2,0,0]=4 2838 B7R1.25 C#CC1(O)COC1 1P003APP [0,1,0,1,0,0|1,0,1]=4 2839 B7R1.25 C=CC1(O)COC1 1P008U4Q [0,1,0,1,0,0|1,0,1]=4 2840 B7R1.25 CC1(CBr)CCO1 1P027CBV [0,1,0,1,0,0|2,0,0]=4 2841 B7R1.25 CC1(CN)CCO1 1P00PQ6R [0,1,0,1,0,0|2,0,0]=4 2842 B7R1.25 CC1(CO)CCN1 1P00HSYL [0,1,0,1,0,0|2,0,0]=4 2843 B7R1.25 CC1(CO)CCO1 1P0037VL [0,1,0,1,0,0|1,0,0]=3 2844 B7R1.25 CCC1(N)COC1 1P0014LB [0,1,0,1,0,0|2,0,0]=4 2845 B7R1.25 CCC1(N)COC1 1P00HV1U [0,1,0,1,0,0|2,0,0]=4 2846 B7R1.25 CCC1(O)CNC1 1P00II4S [0,1,0,1,0,0|2,0,0]=4 2847 B7R1.25 CCC1(O)COC1 1P00HWLL [0,1,0,1,0,0|1,0,0]=3 2848 B7R1.25 C[C@@]1(CO)CCO1 1P0203OP [0,1,0,1,0,0|1,0,0]=3 2849 B7R1.25 C[C@]1(CN)CCO1 1P01JUI2 [0,1,0,1,0,0|2,0,0]=4 2850 B7R1.25 C[C@]1(CO)CCO1 1P020AZ6 [0,1,0,1,0,0|1,0,0]=3 2851 B7R1.25 ClCC1(C)COC1 1P003INZ [0,1,0,1,0,0|2,0,0]=4 2852 B7R1.25 FCC1(COC1)N 1P01FWPL [0,1,0,1,0,0|2,0,0]=4 2853 B7R1.25 FCC1(N)COC1 1P02046M [0,1,0,1,0,0|2,0,0]=4 2854 B7R1.25 FCC1(O)CNC1 1P01JURR [0,1,0,1,0,0|2,0,0]=4 2855 B7R1.25 FCC1(O)COC1 1P0208WI [0,1,0,1,0,0|1,0,0]=3 2856 B7R1.25 ICC1(C)COC1 1P0079BN [0,1,0,1,0,0|2,0,0]=4 2857 B7R1.25 ICC1(F)COC1 1P00125G [0,1,0,1,0,0|2,0,0]=4 2858 B7R1.25 ICC1(O)CCC1 1P028HW9 [0,1,0,1,0,0|2,0,0]=4 2859 B7R1.25 N#CC1(O)COC1 1P01FLTV [0,1,0,1,0,0|1,0,1]=4 2860 B7R1.25 NCC1(C)COC1 1P000WQG [0,1,0,1,0,0|2,0,0]=4 2861 B7R1.25 NCC1(C)COC1 1P0038JC [0,1,0,1,0,0|2,0,0]=4 2862 B7R1.25 NCC1(F)COC1 1P00H063 [0,1,0,1,0,0|2,0,0]=4 2863 B7R1.25 NCC1(F)COC1 1P0293V4 [0,1,0,1,0,0|2,0,0]=4 2864 B7R1.25 NCC1(N)COC1 1P0039OX [0,1,0,1,0,0|2,0,0]=4 2865 B7R1.25 NCC1(N)COC1 1P01C0U2 [0,1,0,1,0,0|2,0,0]=4 2866 B7R1.25 NCC1(O)CCC1 1P00229A [0,1,0,1,0,0|2,0,0]=4 2867 B7R1.25 NCC1(O)COC1 1P000V0U [0,1,0,1,0,0|1,0,0]=3 2868 B7R1.25 NCC1(O)CSC1 1P027ZE5 [0,1,0,1,0,0|1,1,0]=4 2869 B7R1.25 OCC1(Br)CCC1 1P028KH0 [0,1,0,1,0,0|2,0,0]=4 2870 B7R1.25 OCC1(C)CCC1 1P00I83X [0,1,0,1,0,0|2,0,0]=4 2871 B7R1.25 OCC1(C)CNC1 1P001DXN [0,1,0,1,0,0|2,0,0]=4 2872 B7R1.25 OCC1(C)CNC1 1P00J3CD [0,1,0,1,0,0|2,0,0]=4 2873 B7R1.25 OCC1(C)COC1 1P003K18 [0,1,0,1,0,0|1,0,0]=3 2874 B7R1.25 OCC1(C)CSC1 1P00F1GP [0,1,0,1,0,0|1,1,0]=4 2875 B7R1.25 OCC1(F)CCC1 1P00HSH9 [0,1,0,1,0,0|2,0,0]=4 2876 B7R1.25 OCC1(F)CNC1 1P000TT7 [0,1,0,1,0,0|2,0,0]=4 2877 B7R1.25 OCC1(F)CNC1 1P00I0IE [0,1,0,1,0,0|2,0,0]=4 2878 B7R1.25 OCC1(F)COC1 1P00GVAL [0,1,0,1,0,0|1,0,0]=3 2879 B7R1.25 OCC1(N)CCC1 1P001AZ7 [0,1,0,1,0,0|2,0,0]=4 2880 B7R1.25 OCC1(N)CCC1 1P002298 [0,1,0,1,0,0|2,0,0]=4 2881 B7R1.25 OCC1(N)CNC1 1P028BCJ [0,1,0,1,0,0|2,0,0]=4 2882 B7R1.25 OCC1(N)COC1 1P000V0W [0,1,0,1,0,0|1,0,0]=3 2883 B7R1.25 OCC1(N)COC1 1P0289Q0 [0,1,0,1,0,0|1,0,0]=3 2884 B7R1.25 OCC1(O)CCC1 1P005JC6 [0,1,0,1,0,0|1,0,0]=3 2885 B7R1.25 OCC1(O)CNC1 1P00I3J4 [0,1,0,1,0,0|1,0,0]=3 2886 B7R1.25 OCC1(O)CNC1 1P01ANQ0 [0,1,0,1,0,0|1,0,0]=3 2887 B7R1.25 OCC1(O)COC1 1P001WQR [0,1,0,1,0,0|0,0,0]=2 2888 B7R1.25 SCC1(C)COC1 1P00F73I [0,1,0,1,0,0|1,1,0]=4 2889 B7R1.25 SCC1(O)CCC1 1P0280PH [0,1,0,1,0,0|1,1,0]=4 2890 B7R1.27 CC1(CO)CC1Br 1P00CSWU [0,1,0,1,0,0|2,0,0]=4 2891 B7R1.27 CC1(CO)CC1F 1P01C4KB [0,1,0,1,0,0|2,0,0]=4 2892 B7R1.27 C[C@@H]1C[C@@]1(F)CO 1P028UJ9 [0,1,0,1,0,0|2,0,0]=4 2893 B7R1.12 CC([C@@H]1C[C@H]1N)O 1P028FNT [0,1,0,1,0,0|2,0,0]=4 2894 B7R1.12 C[C@@H]1O[C@H]1C(=O)O 1P01B6TE [0,1,0,1,0,0|1,0,1]=4 2895 B7R1.17 NC1COC1(C)C 1P01DXS6 [0,1,0,1,0,0|2,0,0]=4 2896 B7R1.17 N[C@@H]1CC[C@@]1(C)O 1P01C5KV [0,1,0,1,0,0|2,0,0]=4 2897 B7R1.17 OC1CCC1(C)C 1P00ILQI [0,1,0,1,0,0|2,0,0]=4 2898 B7R1.17 OC1CNC1(C)C 1P01XA41 [0,1,0,1,0,0|2,0,0]=4 2899 B7R1.18 CC(C1CCC1)O 1P0056LW [0,1,0,1,0,0|2,0,0]=4 2900 B7R1.18 CC(C1CCN1)O 1P027YMT [0,1,0,1,0,0|2,0,0]=4 2901 B7R1.18 CC(C1CCO1)N 1P0291KJ [0,1,0,1,0,0|2,0,0]=4 2902 B7R1.18 CC(C1CCO1)O 1P028OAM [0,1,0,1,0,0|1,0,0]=3 2903 B7R1.18 CC(C1CNC1)O 1P002J5Z [0,1,0,1,0,0|2,0,0]=4 2904 B7R1.18 CC(C1COC1)N 1P00HYPF [0,1,0,1,0,0|2,0,0]=4 2905 B7R1.18 CC(C1COC1)O 1P01DXSB [0,1,0,1,0,0|1,0,0]=3 2906 B7R1.18 C[C@@H](C1CCC1)O 1P01BSIR [0,1,0,1,0,0|2,0,0]=4 2907 B7R1.18 C[C@@H](C1COC1)N 1P01XA8F [0,1,0,1,0,0|2,0,0]=4 2908 B7R1.18 C[C@@H](C1COC1)O 1P01JV3Q [0,1,0,1,0,0|1,0,0]=3 2909 B7R1.18 C[C@H](C1COC1)N 1P00K9YQ [0,1,0,1,0,0|2,0,0]=4 2910 B7R1.18 C[C@H](C1COC1)O 1P01XADG [0,1,0,1,0,0|1,0,0]=3 2911 B7R1.18 OC(=O)C1CCO1 1P0036EM [0,1,0,1,0,0|1,0,1]=4 2912 B7R1.18 OC(=O)C1COC1 1P000AR0 [0,1,0,1,0,0|1,0,1]=4 2913 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [0,1,0,1,0,0|1,0,1]=4 2914 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [0,1,0,1,0,0|1,0,1]=4 2915 B7R1.19 CC(C1(C)CO1)C 1P00FTTP [0,1,0,1,0,0|2,0,0]=4 2916 B7R1.19 CC(C1(N)CC1)O 1P028QMQ [0,1,0,1,0,0|2,0,0]=4 2917 B7R1.19 CC(C1(O)CC1)C 1P00ILJ8 [0,1,0,1,0,0|2,0,0]=4 2918 B7R1.19 CC(C1(O)CC1)N 1P02805M [0,1,0,1,0,0|2,0,0]=4 2919 B7R1.19 CC1(CO1)C(=O)O 1P003B26 [0,1,0,1,0,0|1,0,1]=4 2920 B7R1.19 C[C@@H](C1(C)CC1)O 1P01XIDJ [0,1,0,1,0,0|2,0,0]=4 2921 B7R1.19 C[C@H](C1(C)CC1)O 1P028WO7 [0,1,0,1,0,0|2,0,0]=4 2922 B7R1.19 C[C@H](C1(O)CC1)N 1P0291C5 [0,1,0,1,0,0|2,0,0]=4 2923 B7R1.19 OC(=O)C1(O)CC1 1P0021XR [0,1,0,1,0,0|1,0,1]=4 2924 B7R1.23 BrCC1OC1(C)C 1P007CY7 [0,1,0,1,0,0|2,0,0]=4 2925 B7R1.23 CCC1OC1(C)C 1P000ISI [0,1,0,1,0,0|2,0,0]=4 2926 B7R1.23 ClCC1OC1(C)C 1P005925 [0,1,0,1,0,0|2,0,0]=4 2927 B7R1.23 OCC1CC1(Br)Br 1P01SKW7 [0,1,0,1,0,0|2,0,0]=4 2928 B7R1.23 OCC1CC1(C)C 1P0067B8 [0,1,0,1,0,0|2,0,0]=4 2929 B7R1.23 OCC1CC1(Cl)Cl 1P00DA4L [0,1,0,1,0,0|2,0,0]=4 2930 B7R1.23 OCC1CC1(F)Cl 1P01X12V [0,1,0,1,0,0|2,0,0]=4 2931 B7R1.23 OCC1CC1(F)F 1P003C13 [0,1,0,1,0,0|2,0,0]=4 2932 B7R1.23 OCC1OC1(C)C 1P00B0OT [0,1,0,1,0,0|1,0,0]=3 2933 B7R1.23 OC[C@@H]1CC1(F)F 1P01JULG [0,1,0,1,0,0|2,0,0]=4 2934 B7R1.23 OC[C@@H]1OC1(C)C 1P023ZSV [0,1,0,1,0,0|1,0,0]=3 2935 B7R1.23 OC[C@H]1CC1(C)C 1P01C5TM [0,1,0,1,0,0|2,0,0]=4 2936 B7R1.23 OC[C@H]1CC1(F)F 1P01WAMV [0,1,0,1,0,0|2,0,0]=4 2937 B7R1.23 OC[C@H]1OC1(C)C 1P01I7LI [0,1,0,1,0,0|1,0,0]=3 2938 B7R1.14 CC1(Br)COCC1 1P02820R [0,1,0,1,0,0|2,0,0]=4 2939 B7R1.14 CC1(N)COCC1 1P000HHG [0,1,0,1,0,0|2,0,0]=4 2940 B7R1.14 CC1(N)COCC1 1P01A377 [0,1,0,1,0,0|2,0,0]=4 2941 B7R1.14 CC1(O)CNCC1 1P000NH5 [0,1,0,1,0,0|2,0,0]=4 2942 B7R1.14 CC1(O)CNCC1 1P0065QN [0,1,0,1,0,0|2,0,0]=4 2943 B7R1.14 CC1(O)COCC1 1P00IBTG [0,1,0,1,0,0|1,0,0]=3 2944 B7R1.14 CC1(O)CONC1 1P01FI80 [0,1,0,1,0,0|1,0,0]=3 2945 B7R1.14 C[C@@]1(O)CNCC1 1P00ILWM [0,1,0,1,0,0|2,0,0]=4 2946 B7R1.14 C[C@@]1(O)CONC1 1P01OL7I [0,1,0,1,0,0|1,0,0]=3 2947 B7R1.14 C[C@]1(O)CNCC1 1P00CLGV [0,1,0,1,0,0|2,0,0]=4 2948 B7R1.14 O[C@@]1(C)CNCC1 1P01FX3D [0,1,0,1,0,0|2,0,0]=4 2949 B7R1.29 CCC1(CC)OC1 1P000ISN [0,1,0,1,0,0|2,0,0]=4 2950 B7R1.29 CCC1(CO)CC1 1P01BI1Y [0,1,0,1,0,0|2,0,0]=4 2951 B7R1.29 ClCC1(CCl)OC1 1P0001YD [0,1,0,1,0,0|2,0,0]=4 2952 B7R1.29 NCC1(CO)CC1 1P0037NC [0,1,0,1,0,0|2,0,0]=4 2953 B7R1.29 NCC1(CO)CC1 1P00A3Y2 [0,1,0,1,0,0|2,0,0]=4 2954 B7R1.29 NCC1(OC)CC1 1P01KAGI [0,1,0,1,0,0|2,0,0]=4 2955 B7R1.29 OCC1(C=C)CC1 1P018IOV [0,1,0,1,0,0|2,0,0]=4 2956 B7R1.29 OCC1(CBr)CC1 1P027L64 [0,1,0,1,0,0|2,0,0]=4 2957 B7R1.29 OCC1(CC1)C#C 1P003AXF [0,1,0,1,0,0|2,0,0]=4 2958 B7R1.29 OCC1(CC1)C#N 1P0067P7 [0,1,0,1,0,0|2,0,0]=4 2959 B7R1.29 OCC1(CF)CC1 1P00IFJB [0,1,0,1,0,0|2,0,0]=4 2960 B7R1.29 OCC1(CO)CC1 1P0032RY [0,1,0,1,0,0|1,0,0]=3 2961 B7R1.29 OCC1(CO)N=N1 1P021N7H [0,1,0,1,0,0|1,0,0]=3 2962 B7R1.29 OCC1(NC)CC1 1P01BBEV [0,1,0,1,0,0|2,0,0]=4 2963 B7R1.29 OCC1(OC)CC1 1P01C5OR [0,1,0,1,0,0|1,0,0]=3 2964 B7R1.29 OCC1(SC)CC1 1P01B8AO [0,1,0,1,0,0|1,1,0]=4 2965 B7R2.13 C1=CC2C(C1)O2 1P0069XO [0,0,0,2,0,0|2,0,0]=4 2966 B7R2.13 C1CC2C(C1)O2 1P002W0A [0,0,0,2,0,0|2,0,0]=4 2967 B7R2.13 O1CC2C(C1)N2 1P00ELCQ [0,0,0,2,0,0|2,0,0]=4 2968 B7R2.13 O1CC2C(C1)O2 1P002W08 [0,0,0,2,0,0|1,0,0]=3 2969 B7R2.16 C1CC2(C1)CO2 1P007Y0D [0,0,0,2,0,0|2,0,0]=4