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[0,0,1,0,0,0|3,0,0]=4 33 B10R0.45 CCC(CC)SC[C@@H](O)CO 62a_100009815848_100000210505 [0,0,1,0,0,0|3,0,0]=4 34 B10R0.45 CCC(O)CNC(CC)CC 2230a_100000199018_100011218378 [0,0,1,0,0,0|3,0,0]=4 35 B10R0.45 CCC(O)CNC(CC)CC 270004a_100011218483_100000210860 [0,0,1,0,0,0|3,0,0]=4 36 B10R0.45 CCC(O)CNC(CO)CO 2230a_100000759517_100011218378 [0,0,1,0,0,0|1,0,0]=2 37 B10R0.45 CCC(O)CN[C@@H](CC)CO 2230a_100000709445_100011218378 [0,0,1,0,0,0|2,0,0]=3 38 B10R0.45 CC[C@@H](CO)NCC(O)CO 2230a_100000709445_100011219619 [0,0,1,0,0,0|1,0,0]=2 39 B10R0.45 CC[C@@H](CO)NC[C@@H](C)CO 2230a_100000709445_100000059175 [0,0,1,0,0,0|2,0,0]=3 40 B10R0.45 CC[C@@H](CO)NC[C@@H](O)CF 2230a_100000709445_100015614560 [0,0,1,0,0,0|2,0,0]=3 41 B10R0.45 CC[C@@H](CO)NC[C@@H](O)CO 2230a_100000709445_100009815848 [0,0,1,0,0,0|1,0,0]=2 42 B10R0.45 CC[C@H](C)CNC(CO)CO 2230a_100000759517_100009816398 [0,0,1,0,0,0|2,0,0]=3 43 B10R0.45 CC[C@H](C)CN[C@@H](CC)CO 2230a_100000709445_100009816398 [0,0,1,0,0,0|3,0,0]=4 44 B10R0.45 C[C@@H](CO)CNC(CO)CO 2230a_100000759517_100000059175 [0,0,1,0,0,0|1,0,0]=2 45 B10R0.45 NCC(CN)OCC(O)CO 34a_100000031598_100011219619 [0,0,1,0,0,0|3,0,0]=4 46 B10R0.45 NCC(CN)OC[C@@H](O)CO 34a_100000031598_100009815848 [0,0,1,0,0,0|3,0,0]=4 47 B10R0.45 OCC(CO)NC[C@@H](O)CF 2230a_100000759517_100015614560 [0,0,1,0,0,0|1,0,0]=2 48 B10R0.45 OCC(O)COC(CCl)CCl 7a_100000737055_100011219619 [0,0,1,0,0,0|3,0,0]=4 49 B10R0.45 OCC(O)COC(CF)CF 34a_100000032261_100011219619 [0,0,1,0,0,0|3,0,0]=4 50 B10R0.45 OCC(O)COC(CF)CF 7a_100000032261_100011219619 [0,0,1,0,0,0|3,0,0]=4 51 B10R0.45 OCC(O)CO[C@@H](CF)CCl 34a_100015614560_100011219619 [0,0,1,0,0,0|3,0,0]=4 52 B10R0.45 OCC(O)CO[C@@H](CF)CCl 7a_100015614560_100011219619 [0,0,1,0,0,0|3,0,0]=4 53 B10R0.45 OC[C@H](O)COC(CCl)CCl 7a_100000737055_100009815848 [0,0,1,0,0,0|3,0,0]=4 54 B10R0.45 OC[C@H](O)COC(CF)CF 34a_100000032261_100009815848 [0,0,1,0,0,0|3,0,0]=4 55 B10R0.45 OC[C@H](O)COC(CF)CF 7a_100000032261_100009815848 [0,0,1,0,0,0|3,0,0]=4 56 B10R0.45 OC[C@H](O)CO[C@@H](CF)CCl 34a_100015614560_100009815848 [0,0,1,0,0,0|3,0,0]=4 57 B10R0.45 OC[C@H](O)CO[C@@H](CF)CCl 7a_100015614560_100009815848 [0,0,1,0,0,0|3,0,0]=4 58 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,0,1,0,0,0|1,0,2]=4 59 B10R0.85 CCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210303 [0,0,1,0,0,0|3,0,0]=4 60 B10R0.85 CC[C@H](C)[C@@H](CO)NCCF 2230a_100011827617_100011217306 [0,0,1,0,0,0|3,0,0]=4 61 B10R0.85 CC[C@H](C)[C@@H](CO)NCCO 2230a_100011827617_100000211926 [0,0,1,0,0,0|2,0,0]=3 62 B9R0.8 CCC(C)C(C)NCCO 269862a_100000210304_100000210599 [1,0,1,0,0,0|2,0,0]=4 63 B9R0.8 CCC(C)C(C)NCCO 270004a_100000210304_100000210599 [1,0,1,0,0,0|2,0,0]=4 64 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [1,0,1,0,0,0|0,0,2]=4 65 B9R0.8 O=C(NCCO)C(O)CO 240690a_100000210304_100011215603 [1,0,1,0,0,0|0,0,2]=4 66 B9R0.27 CNC(=O)[C@H](O)[C@H](O)CO 240690a_100102657272_100015448053 [1,0,1,0,0,0|0,0,2]=4 67 B9R0.24 C#CC(C)NCC(O)CO 2230a_100000707721_100011219619 [1,0,1,0,0,0|1,0,1]=4 68 B9R0.24 C#CC(C)NCC(O)CO 34a_100000707721_100011219619 [1,0,1,0,0,0|1,0,1]=4 69 B9R0.24 C#CC(C)NC[C@@H](O)CO 2230a_100000707721_100009815848 [1,0,1,0,0,0|1,0,1]=4 70 B9R0.24 C#CC(C)NC[C@@H](O)CO 34a_100000707721_100009815848 [1,0,1,0,0,0|1,0,1]=4 71 B9R0.24 C=CC(O)CN[C@H](C)CO 2230a_100000737577_100000730141 [1,0,1,0,0,0|1,0,1]=4 72 B9R0.24 CC(C#N)NCC(O)CO 2230a_100000737613_100011219619 [1,0,1,0,0,0|1,0,1]=4 73 B9R0.24 CC(C#N)NC[C@@H](O)CO 2230a_100000737613_100009815848 [1,0,1,0,0,0|1,0,1]=4 74 B9R0.24 CC(C#N)NC[C@H](O)CO 2230a_100020644852_100000184139 [1,0,1,0,0,0|1,0,1]=4 75 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [1,0,1,0,0,0|2,0,0]=4 76 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [1,0,1,0,0,0|2,0,0]=4 77 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [1,0,1,0,0,0|2,0,0]=4 78 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [1,0,1,0,0,0|2,0,0]=4 79 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [1,0,1,0,0,0|2,0,0]=4 80 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [1,0,1,0,0,0|2,0,0]=4 81 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [1,0,1,0,0,0|1,0,0]=3 82 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [1,0,1,0,0,0|1,0,0]=3 83 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [1,0,1,0,0,0|0,0,0]=2 84 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [1,0,1,0,0,0|1,0,0]=3 85 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [1,0,1,0,0,0|2,0,0]=4 86 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [1,0,1,0,0,0|2,0,0]=4 87 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [1,0,1,0,0,0|1,0,0]=3 88 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [1,0,1,0,0,0|2,0,0]=4 89 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [1,0,1,0,0,0|2,0,0]=4 90 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [1,0,1,0,0,0|2,0,0]=4 91 B9R0.24 CCC(C)NCC(C)CO 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62a_100009815848_100000758301 [1,0,1,0,0,0|2,0,0]=4 104 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [1,0,1,0,0,0|2,0,0]=4 105 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [1,0,1,0,0,0|2,0,0]=4 106 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [1,0,1,0,0,0|1,0,0]=3 107 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [1,0,1,0,0,0|1,0,0]=3 108 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [1,0,1,0,0,0|2,0,0]=4 109 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [1,0,1,0,0,0|2,0,0]=4 110 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [1,0,1,0,0,0|2,0,0]=4 111 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [1,0,1,0,0,0|2,0,0]=4 112 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [1,0,1,0,0,0|1,0,0]=3 113 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [1,0,1,0,0,0|2,0,0]=4 114 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [1,0,1,0,0,0|2,0,0]=4 115 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [1,0,1,0,0,0|0,0,0]=2 116 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [1,0,1,0,0,0|1,0,0]=3 117 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [1,0,1,0,0,0|0,0,0]=2 118 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [1,0,1,0,0,0|1,0,0]=3 119 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [1,0,1,0,0,0|1,0,0]=3 120 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [1,0,1,0,0,0|2,0,0]=4 121 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [1,0,1,0,0,0|2,0,0]=4 122 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [1,0,1,0,0,0|1,0,0]=3 123 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [1,0,1,0,0,0|1,0,0]=3 124 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [1,0,1,0,0,0|0,0,2]=4 125 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [1,0,1,0,0,0|0,0,2]=4 126 B9R0.43 C=C(C)CNC(CO)CO 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B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [1,0,1,0,0,0|1,0,0]=3 139 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [1,0,1,0,0,0|1,0,0]=3 140 B9R0.43 C[C@@H](O)CNC(CO)CO 2230a_100000759517_100009817552 [1,0,1,0,0,0|0,0,0]=2 141 B9R0.43 OCC(CO)NCC(F)F 2230a_100000759517_100011934356 [1,0,1,0,0,0|2,0,0]=4 142 B9R0.50 C#CCCNC(CO)CO 2230a_100000759517_100000688953 [1,0,1,0,0,0|1,0,1]=4 143 B9R0.50 C=CCCNC(CO)CO 2230a_100000759517_100000754431 [1,0,1,0,0,0|1,0,1]=4 144 B9R0.50 C=C[C@@H](CO)NCCCO 2230a_100016989147_100000230001 [1,0,1,0,0,0|1,0,1]=4 145 B9R0.50 C=C[C@@H](CO)NCCCO 34a_100016989147_100000230001 [1,0,1,0,0,0|1,0,1]=4 146 B9R0.50 CCC(CC)NCCCO 2230a_100000199018_100000230001 [1,0,1,0,0,0|2,0,0]=4 147 B9R0.50 CCC(CC)NCCCO 270004a_100000182051_100000210860 [1,0,1,0,0,0|2,0,0]=4 148 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [1,0,1,0,0,0|1,0,0]=3 149 B9R0.50 CCCCN[C@@H](CC)CO 2230a_100000709445_100000210211 [1,0,1,0,0,0|2,0,0]=4 150 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CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [1,0,1,0,0,0|1,0,0]=3 222 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [1,0,1,0,0,0|1,0,0]=3 223 B9R0.40 COCC(CO)NCCO 2230a_100000724102_100000211926 [1,0,1,0,0,0|2,0,0]=4 224 B9R0.40 COCC(CO)NCCO 34a_100000724102_100000211926 [1,0,1,0,0,0|2,0,0]=4 225 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [2,0,0,0,0,0|2,0,0]=4 229 B11R0.9 C=C[C@@H](CO)NCC(O)COC 34a_100016989147_100011215053 [0,1,1,0,0,0|1,0,1]=4 230 B11R0.9 CCC(CC)NCC(O)COC 270004a_100000756049_100000210860 [0,1,1,0,0,0|2,0,0]=4 231 B11R0.9 CCCC(C)CNC(CO)CO 2230a_100000759517_100011216630 [0,1,1,0,0,0|2,0,0]=4 232 B11R0.9 CC[C@@H](CO)NC[C@@H](O)CC#N 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CC(C)[C@H](CO)NC[C@@H](O)CF 34a_100011830312_100015614560 [0,1,1,0,0,0|2,0,0]=4 244 B11R0.90 CC(C)[C@H](CO)NC[C@@H](O)CO 2230a_100011830312_100009815848 [0,1,1,0,0,0|1,0,0]=3 245 B11R0.90 CC(C)[C@H](CO)NC[C@@H](O)CO 34a_100011830312_100009815848 [0,1,1,0,0,0|1,0,0]=3 246 B11R0.90 CCC(C)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000748023 [0,1,1,0,0,0|2,0,0]=4 247 B11R0.90 CCC(C)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100000748023 [0,1,1,0,0,0|2,0,0]=4 248 B11R0.90 CCC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218378 [0,1,1,0,0,0|1,0,1]=4 249 B11R0.90 CCC(O)CN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100011218378 [0,1,1,0,0,0|2,0,0]=4 250 B11R0.90 CCC(O)CN[C@@H](CC)[C@@H](C)O 34a_100161114882_100011218378 [0,1,1,0,0,0|2,0,0]=4 251 B11R0.90 CCC(O)CN[C@@H](CO)C(C)C 2230a_100011830312_100011218378 [0,1,1,0,0,0|2,0,0]=4 252 B11R0.90 CCC(O)CN[C@@H](CO)C(C)C 34a_100011830312_100011218378 [0,1,1,0,0,0|2,0,0]=4 253 B11R0.90 CCC(O)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011218378 [0,1,1,0,0,0|1,0,0]=3 254 B11R0.90 CCC(O)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100011218378 [0,1,1,0,0,0|1,0,0]=3 255 B11R0.90 CC[C@@H](NCC(O)CO)C(=O)O 269956a_100000747097_100011219619 [0,1,1,0,0,0|1,0,1]=4 256 B11R0.90 CC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100000747097_100009815848 [0,1,1,0,0,0|1,0,1]=4 257 B11R0.90 CC[C@H](C)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100009816398 [0,1,1,0,0,0|2,0,0]=4 258 B11R0.90 CC[C@H](C)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100009816398 [0,1,1,0,0,0|2,0,0]=4 259 B11R0.90 CC[C@H](NCC(O)CO)[C@@H](C)O 2230a_100161114882_100011219619 [0,1,1,0,0,0|1,0,0]=3 260 B11R0.90 CC[C@H](NCC(O)CO)[C@@H](C)O 34a_100161114882_100011219619 [0,1,1,0,0,0|1,0,0]=3 261 B11R0.90 CC[C@H](NC[C@@H](C)CO)[C@@H](C)O 2230a_100161114882_100000059175 [0,1,1,0,0,0|2,0,0]=4 262 B11R0.90 CC[C@H](NC[C@@H](C)CO)[C@@H](C)O 34a_100161114882_100000059175 [0,1,1,0,0,0|2,0,0]=4 263 B11R0.90 CC[C@H](NC[C@@H](O)CF)[C@@H](C)O 2230a_100161114882_100015614560 [0,1,1,0,0,0|2,0,0]=4 264 B11R0.90 CC[C@H](NC[C@@H](O)CF)[C@@H](C)O 34a_100161114882_100015614560 [0,1,1,0,0,0|2,0,0]=4 265 B11R0.90 CC[C@H](NC[C@@H](O)CO)[C@@H](C)O 2230a_100161114882_100009815848 [0,1,1,0,0,0|1,0,0]=3 266 B11R0.90 CC[C@H](NC[C@@H](O)CO)[C@@H](C)O 34a_100161114882_100009815848 [0,1,1,0,0,0|1,0,0]=3 267 B11R0.90 C[C@@H](CO)CNC(CO)C(=O)O 269956a_100000187304_100000059175 [0,1,1,0,0,0|1,0,1]=4 268 B11R0.90 C[C@@H](CO)CN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000059175 [0,1,1,0,0,0|1,0,0]=3 269 B11R0.90 C[C@@H](CO)CN[C@H](CO)[C@@H](C)O 34a_100015196842_100000059175 [0,1,1,0,0,0|1,0,0]=3 270 B11R0.90 C[C@@H](O)[C@@H](CO)NC[C@@H](O)CF 2230a_100015196842_100015614560 [0,1,1,0,0,0|1,0,0]=3 271 B11R0.90 C[C@@H](O)[C@@H](CO)NC[C@@H](O)CF 34a_100015196842_100015614560 [0,1,1,0,0,0|1,0,0]=3 272 B11R0.90 O=C(O)C(CO)NC[C@@H](O)CF 269956a_100000187304_100015614560 [0,1,1,0,0,0|1,0,1]=4 273 B11R0.113 CCC(CC)N(C)CC(O)CO 2230a_100000737045_100011219619 [0,1,1,0,0,0|2,0,0]=4 274 B11R0.113 CCC(CC)N(C)CC(O)CO 269982a_100011216503_100000210505 [0,1,1,0,0,0|2,0,0]=4 275 B11R0.113 CCC(CC)N(C)CC(O)CO 270004a_100011216503_100000210860 [0,1,1,0,0,0|2,0,0]=4 276 B11R0.113 CCC(CC)N(C)C[C@@H](O)CO 2230a_100000737045_100009815848 [0,1,1,0,0,0|2,0,0]=4 277 B11R0.134 C=CC(O)CNC(CO)COC 2230a_100000724102_100000730141 [0,1,1,0,0,0|1,0,1]=4 278 B11R0.134 C=CC(O)CNC(CO)COC 34a_100000724102_100000730141 [0,1,1,0,0,0|1,0,1]=4 279 B11R0.134 C=CC[C@H](CO)NCC(O)CC 2230a_100020615467_100011218378 [0,1,1,0,0,0|2,0,0]=4 280 B11R0.134 C=CC[C@H](CO)NCC(O)CO 2230a_100020615467_100011219619 [0,1,1,0,0,0|1,0,0]=3 281 B11R0.134 C=CC[C@H](CO)NC[C@@H](C)CO 2230a_100020615467_100000059175 [0,1,1,0,0,0|2,0,0]=4 282 B11R0.134 C=CC[C@H](CO)NC[C@@H](O)CF 2230a_100020615467_100015614560 [0,1,1,0,0,0|2,0,0]=4 283 B11R0.134 C=CC[C@H](CO)NC[C@@H](O)CO 2230a_100020615467_100009815848 [0,1,1,0,0,0|1,0,0]=3 284 B11R0.134 CCC(C)CNC(CO)COC 2230a_100000724102_100000748023 [0,1,1,0,0,0|2,0,0]=4 285 B11R0.134 CCC(C)CNC(CO)COC 270004a_100000724102_100000243153 [0,1,1,0,0,0|2,0,0]=4 286 B11R0.134 CCC(C)CNC(CO)COC 34a_100000724102_100000748023 [0,1,1,0,0,0|2,0,0]=4 287 B11R0.134 CCC(COC)NCC(O)CO 2230a_100000757820_100011219619 [0,1,1,0,0,0|1,0,0]=3 288 B11R0.134 CCC(COC)NC[C@@H](C)CO 2230a_100000757820_100000059175 [0,1,1,0,0,0|2,0,0]=4 289 B11R0.134 CCC(COC)NC[C@@H](F)CO 270004a_100015665980_100000757811 [0,1,1,0,0,0|2,0,0]=4 290 B11R0.134 CCC(COC)NC[C@@H](O)CF 2230a_100000757820_100015614560 [0,1,1,0,0,0|2,0,0]=4 291 B11R0.134 CCC(COC)NC[C@@H](O)CO 2230a_100000757820_100009815848 [0,1,1,0,0,0|1,0,0]=3 292 B11R0.134 CCC(COC)OCC(O)CO 7a_200011214946_100011219619 [0,1,1,0,0,0|2,0,0]=4 293 B11R0.134 CCC(COC)OC[C@@H](O)CO 7a_200011214946_100009815848 [0,1,1,0,0,0|2,0,0]=4 294 B11R0.134 CCC(O)CNC(CC)COC 2230a_100000757820_100011218378 [0,1,1,0,0,0|2,0,0]=4 295 B11R0.134 CCC(O)CNC(CC)COC 270004a_100011218483_100000757811 [0,1,1,0,0,0|2,0,0]=4 296 B11R0.134 CCC(O)CNC(CO)COC 2230a_100000724102_100011218378 [0,1,1,0,0,0|1,0,0]=3 297 B11R0.134 CCC(O)CNC(CO)COC 34a_100000724102_100011218378 [0,1,1,0,0,0|1,0,0]=3 298 B11R0.134 CCCC(CC)NCC(O)CO 2230a_100000747048_100011219619 [0,1,1,0,0,0|2,0,0]=4 299 B11R0.134 CCCC(CC)NC[C@@H](O)CO 2230a_100000747048_100009815848 [0,1,1,0,0,0|2,0,0]=4 300 B11R0.134 CCC[C@@H](CO)NCC(O)CC 2230a_100000732646_100011218378 [0,1,1,0,0,0|2,0,0]=4 301 B11R0.134 CCC[C@@H](CO)NCC(O)CC 34a_100000732646_100011218378 [0,1,1,0,0,0|2,0,0]=4 302 B11R0.134 CCC[C@@H](CO)NCC(O)CO 2230a_100000732646_100011219619 [0,1,1,0,0,0|1,0,0]=3 303 B11R0.134 CCC[C@@H](CO)NCC(O)CO 34a_100000732646_100011219619 [0,1,1,0,0,0|1,0,0]=3 304 B11R0.134 CCC[C@@H](CO)NC[C@@H](C)CO 2230a_100000732646_100000059175 [0,1,1,0,0,0|2,0,0]=4 305 B11R0.134 CCC[C@@H](CO)NC[C@@H](C)CO 34a_100000732646_100000059175 [0,1,1,0,0,0|2,0,0]=4 306 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CF 2230a_100000732646_100015614560 [0,1,1,0,0,0|2,0,0]=4 307 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CF 34a_100000732646_100015614560 [0,1,1,0,0,0|2,0,0]=4 308 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CO 2230a_100000732646_100009815848 [0,1,1,0,0,0|1,0,0]=3 309 B11R0.134 CCC[C@@H](CO)NC[C@@H](O)CO 34a_100000732646_100009815848 [0,1,1,0,0,0|1,0,0]=3 310 B11R0.134 CC[C@H](C)CNC(CO)COC 2230a_100000724102_100009816398 [0,1,1,0,0,0|2,0,0]=4 311 B11R0.134 CC[C@H](C)CNC(CO)COC 34a_100000724102_100009816398 [0,1,1,0,0,0|2,0,0]=4 312 B11R0.134 CC[C@H](CC#N)NCC(O)CO 2230a_200009818565_100011219619 [0,1,1,0,0,0|2,0,0]=4 313 B11R0.134 CC[C@H](CC#N)NC[C@@H](O)CO 2230a_200009818565_100009815848 [0,1,1,0,0,0|2,0,0]=4 314 B11R0.134 COCC(CCl)OCC(O)CO 34a_100011215053_100011219619 [0,1,1,0,0,0|2,0,0]=4 315 B11R0.134 COCC(CCl)OC[C@@H](O)CO 34a_100011215053_100009815848 [0,1,1,0,0,0|2,0,0]=4 316 B11R0.134 COCC(CN)OCC(O)CO 34a_100000756049_100011219619 [0,1,1,0,0,0|2,0,0]=4 317 B11R0.134 COCC(CN)OC[C@@H](O)CO 34a_100000756049_100009815848 [0,1,1,0,0,0|2,0,0]=4 318 B11R0.134 COCC(CO)NCC(O)CO 2230a_100000724102_100011219619 [0,1,1,0,0,0|0,0,0]=2 319 B11R0.134 COCC(CO)NCC(O)CO 34a_100000724102_100011219619 [0,1,1,0,0,0|0,0,0]=2 320 B11R0.134 COCC(CO)NC[C@@H](C)CO 2230a_100000724102_100000059175 [0,1,1,0,0,0|1,0,0]=3 321 B11R0.134 COCC(CO)NC[C@@H](C)CO 34a_100000724102_100000059175 [0,1,1,0,0,0|1,0,0]=3 322 B11R0.134 COCC(CO)NC[C@@H](O)CF 2230a_100000724102_100015614560 [0,1,1,0,0,0|1,0,0]=3 323 B11R0.134 COCC(CO)NC[C@@H](O)CF 34a_100000724102_100015614560 [0,1,1,0,0,0|1,0,0]=3 324 B11R0.134 COCC(CO)NC[C@@H](O)CO 2230a_100000724102_100009815848 [0,1,1,0,0,0|0,0,0]=2 325 B11R0.134 COCC(CO)NC[C@@H](O)CO 34a_100000724102_100009815848 [0,1,1,0,0,0|0,0,0]=2 326 B11R0.314 CCC(CC)CNC(CO)CO 2230a_100000759517_100011215472 [0,1,1,0,0,0|2,0,0]=4 327 B11R0.314 COC(CNC(CO)CO)OC 2230a_100000759517_100000751394 [0,1,1,0,0,0|2,0,0]=4 328 B11R0.88 CC[C@H](C)[C@@H](CO)NC(C)CO 2230a_100011827617_100012180447 [0,1,1,0,0,0|2,0,0]=4 329 B11R0.118 CC[C@H](C)[C@@H](CO)NCC(C)O 2230a_100011827617_100011218427 [0,1,1,0,0,0|2,0,0]=4 330 B11R0.118 CC[C@H](C)[C@@H](CO)NC[C@@H](C)O 2230a_100011827617_100009817552 [0,1,1,0,0,0|2,0,0]=4 331 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000766300 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.192 COCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000766300 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000211926 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.192 OCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000211926 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.977 CN[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 2230a_100015190309_200000210301 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.977 [13CH3]N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO 2230a_100015190309_200025704644 [0,1,0,0,1,0|1,0,0]=3 337 B13R1.422 CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_100000210202 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.422 CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_100000204670 [0,2,0,0,0,0|0,0,0]=2 339 B13R1.422 OC[C@@H]1[C@H]([C@@H]([C@H](CN1CF)O)O)O 269982a_100011995873_100015361967 [0,2,0,0,0,0|0,0,0]=2 340 B11R1.25 CC(CO)CNC1CCOC1 34a_100000744482_100000690089 [0,0,1,1,0,0|2,0,0]=4 341 B11R1.25 CCC(O)CNC1CCOC1 2230a_100011218483_100000731011 [0,0,1,1,0,0|2,0,0]=4 342 B11R1.25 CCC(O)CNC1CCOC1 270004a_100011218483_100000752484 [0,0,1,1,0,0|2,0,0]=4 343 B11R1.25 CCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011218378 [0,0,1,1,0,0|2,0,0]=4 344 B11R1.25 CCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011218378 [0,0,1,1,0,0|2,0,0]=4 345 B11R1.25 CCC(O)CN[C@H]1CCOC1 34a_100015188467_100011218378 [0,0,1,1,0,0|2,0,0]=4 346 B11R1.25 C[C@@H](CO)CN[C@@H]1CCOC1 2230a_200015188469_100000059175 [0,0,1,1,0,0|2,0,0]=4 347 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 2230a_100015188467_100000059175 [0,0,1,1,0,0|2,0,0]=4 348 B11R1.25 C[C@@H](CO)CN[C@H]1CCOC1 34a_100015188467_100000059175 [0,0,1,1,0,0|2,0,0]=4 349 B11R1.25 OCC(O)CNC1CC=CC1 2230a_100015188752_100011219619 [0,0,1,1,0,0|2,0,0]=4 350 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,0,1,1,0,0|2,0,0]=4 351 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,0,1,1,0,0|2,0,0]=4 352 B11R1.25 OCC(O)CN[C@@H]1CCOC1 2230a_200015188469_100011219619 [0,0,1,1,0,0|1,0,0]=3 353 B11R1.25 OCC(O)CN[C@H]1CCOC1 2230a_100015188467_100011219619 [0,0,1,1,0,0|1,0,0]=3 354 B11R1.25 OCC(O)CN[C@H]1CCOC1 34a_100015188467_100011219619 [0,0,1,1,0,0|1,0,0]=3 355 B11R1.25 OCC(O)CO[C@H]1CCOC1 34a_100000717292_100011219619 [0,0,1,1,0,0|2,0,0]=4 356 B11R1.25 OCC(O)CSC1CCOC1 62a_100011219619_100000690089 [0,0,1,1,0,0|2,0,0]=4 357 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,0,1,1,0,0|2,0,0]=4 358 B11R1.25 OC[C@@H](O)CNC1CCOC1 2230a_100020644852_100000731011 [0,0,1,1,0,0|1,0,0]=3 359 B11R1.25 OC[C@H](F)CNC1CCOC1 270004a_100015665980_100000752484 [0,0,1,1,0,0|2,0,0]=4 360 B11R1.25 OC[C@H](F)CNC1CCOC1 34a_100015665980_100000690089 [0,0,1,1,0,0|2,0,0]=4 361 B11R1.25 OC[C@H](O)CNC1CC=CC1 2230a_100015188752_100009815848 [0,0,1,1,0,0|2,0,0]=4 362 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,0,1,1,0,0|2,0,0]=4 363 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,0,1,1,0,0|2,0,0]=4 364 B11R1.25 OC[C@H](O)CN[C@@H]1CCOC1 2230a_200015188469_100009815848 [0,0,1,1,0,0|1,0,0]=3 365 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 2230a_100015188467_100009815848 [0,0,1,1,0,0|1,0,0]=3 366 B11R1.25 OC[C@H](O)CN[C@H]1CCOC1 34a_100015188467_100009815848 [0,0,1,1,0,0|1,0,0]=3 367 B11R1.25 OC[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100009815848 [0,0,1,1,0,0|2,0,0]=4 368 B11R1.25 OC[C@H](O)CSC1CCOC1 62a_100009815848_100000690089 [0,0,1,1,0,0|2,0,0]=4 369 B11R1.25 O[C@@H](CF)CN[C@@H]1CCOC1 2230a_200015188469_100015614560 [0,0,1,1,0,0|2,0,0]=4 370 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 2230a_100015188467_100015614560 [0,0,1,1,0,0|2,0,0]=4 371 B11R1.25 O[C@@H](CF)CN[C@H]1CCOC1 34a_100015188467_100015614560 [0,0,1,1,0,0|2,0,0]=4 372 B11R1.170 CC[C@@H](CO)NCC1CCO1 2230a_100000709445_100000103362 [0,0,1,1,0,0|2,0,0]=4 373 B11R1.170 CC[C@@H](CO)NCC1COC1 2230a_100000709445_100010264016 [0,0,1,1,0,0|2,0,0]=4 374 B11R1.170 OCC(CO)NCC1CCC1 2230a_100000759517_100000763275 [0,0,1,1,0,0|2,0,0]=4 375 B11R1.170 OCC(CO)NCC1CCO1 2230a_100000759517_100000103362 [0,0,1,1,0,0|1,0,0]=3 376 B11R1.170 OCC(CO)NCC1COC1 2230a_100000759517_100010264016 [0,0,1,1,0,0|1,0,0]=3 377 B11R1.938 CCC1(CC1)NCC(O)CO 2230a_100000732774_100011219619 [0,0,1,1,0,0|2,0,0]=4 378 B11R1.938 CCC1(CC1)NC[C@@H](O)CO 2230a_100000732774_100009815848 [0,0,1,1,0,0|2,0,0]=4 379 B11R1.938 OCC(O)CNC1(CC1)CF 2230a_100000054953_100011219619 [0,0,1,1,0,0|2,0,0]=4 380 B11R1.938 OCC(O)CNC1(CC1)CF 34a_100000054953_100011219619 [0,0,1,1,0,0|2,0,0]=4 381 B11R1.938 OC[C@H](O)CNC1(CC1)CF 2230a_100000054953_100009815848 [0,0,1,1,0,0|2,0,0]=4 382 B11R1.938 OC[C@H](O)CNC1(CC1)CF 34a_100000054953_100009815848 [0,0,1,1,0,0|2,0,0]=4 383 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [0,0,1,1,0,0|2,0,0]=4 384 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [0,0,1,1,0,0|2,0,0]=4 385 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,0,1,1,0,0|2,0,0]=4 386 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,0,1,1,0,0|2,0,0]=4 387 B11R1.17 OCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000211926 [0,0,1,1,0,0|1,0,0]=3 388 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000211926 [0,0,1,1,0,0|2,0,0]=4 389 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000211926 [0,0,1,1,0,0|2,0,0]=4 390 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000211926 [0,0,1,1,0,0|1,0,0]=3 391 B11R1.17 O[C@H]1CCOC[C@@H]1NCCF 2230a_100015739063_100011217306 [0,0,1,1,0,0|2,0,0]=4 392 B11R1.17 O[C@H]1COCC[C@H]1NCCF 2230a_100016994285_100011217306 [0,0,1,1,0,0|2,0,0]=4 393 B11R1.317 CCCN[C@H](CO)C1COC1 2230a_217856628679_100000210303 [0,0,1,1,0,0|2,0,0]=4 394 B11R1.317 CCCN[C@H](CO)C1COC1 34a_217856628679_100000210303 [0,0,1,1,0,0|2,0,0]=4 395 B11R1.317 OCCN[C@H](CO)C1COC1 2230a_217856628679_100000211926 [0,0,1,1,0,0|1,0,0]=3 396 B11R1.317 OCCN[C@H](CO)C1COC1 34a_217856628679_100000211926 [0,0,1,1,0,0|1,0,0]=3 397 B11R1.317 OC[C@@H](NCCF)C1COC1 2230a_217856628679_100011217306 [0,0,1,1,0,0|2,0,0]=4 398 B11R1.317 OC[C@@H](NCCF)C1COC1 34a_217856628679_100011217306 [0,0,1,1,0,0|2,0,0]=4 399 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [1,0,0,0,1,0|2,0,0]=4 400 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [1,0,0,0,1,0|2,0,0]=4 401 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [1,0,0,0,1,0|2,0,0]=4 402 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [1,0,0,0,1,0|2,0,0]=4 403 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210202 [1,0,0,0,1,0|2,0,0]=4 404 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000204670 [1,0,0,0,1,0|2,0,0]=4 405 B9R1.23 O[C@@H]1CN(C[C@@H]1O)CF 269982a_100015207562_100015361967 [1,0,0,0,1,0|2,0,0]=4 406 B11R0.200 CCC(CC)CNCC(O)CO 2230a_100102946423_100011219619 [0,0,1,0,0,1|2,0,0]=4 407 B11R0.200 CCC(CC)CNC[C@@H](O)CO 2230a_100102946423_100009815848 [0,0,1,0,0,1|2,0,0]=4 408 B11R0.200 CCC(CC)CNC[C@H](O)CO 2230a_100020644852_100011215472 [0,0,1,0,0,1|2,0,0]=4 409 B11R0.200 CCC(CC)CNC[C@H](O)CO 269862a_100020644852_100000211137 [0,0,1,0,0,1|2,0,0]=4 410 B11R0.200 CCC(O)CNN=C(CO)CO 4a_100015206393_100000036256 [0,0,1,0,0,1|1,0,1]=4