0 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 O=C(O)C(F)C(=O)O A51197 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 O=C(O)C(O)C(=O)O H10518 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.2 CC(C)CC(N)=O C75541 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.2 CC(C)NC(N)=O 44261 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.2 C[C@H](O)CN(C)C A11394 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 NC(=O)CC(=O)O F20599 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 C=C(CBr)C(=O)O 74879 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 C=C[C@H](C)C(=O)O T72590 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.3 C=C[C@H](N)C(=O)O 33352 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.3 C=C[C@H](N)C(=O)O 39549 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.3 CCN(C)C(C)=O F19909 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.3 CC[C@H](C)C(=O)O 88659 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 CC[C@H](N)C(N)=O I10243 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.3 C[C@@H](CN)C(=O)O F15101 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 C[C@@H](CN)C(=O)O F15242 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.3 C[C@H](C#N)C(=O)O C75969 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.3 C[C@H](ON)C(=O)O AT14512 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.3 C[C@H](ON)C(=O)O Y13476 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.3 NC(=O)[C@@H](N)CO D75098 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 NC[C@H](F)C(=O)O T73016 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 NC[C@H](O)C(=O)O O10173 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.3 N[C@@H](CCl)C(=O)O FD21124 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.3 O=C(O)[C@@H](Br)CO A10085 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.3 O=C(O)[C@@H](Br)CO AB19244 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 O=C(O)[C@@H](O)CCl 84142 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,1,0,0,0,0|0,0,0]=1 38 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.2 COC(=O)[C@@H](C)C(=O)O C74590 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.2 COC(=O)[C@@H](N)C(C)=O C75090 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.2 COC(=O)[C@@H](O)C(C)C N12468 [0,1,0,0,0,0|1,0,0]=2 43 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A11792 [0,1,0,0,0,0|0,0,0]=1 44 B8R0.18 CC(C)=C(C#N)C(=O)O AC1589 [0,1,0,0,0,0|0,0,3]=4 45 B8R0.18 CC(C)[C@H](CN)C(=O)O 32008 [0,1,0,0,0,0|0,0,0]=1 46 B8R0.18 CC(C)[C@H](CN)C(=O)O 32570 [0,1,0,0,0,0|0,0,0]=1 47 B8R0.18 CC(C)[C@H](CN)C(=O)O 32574 [0,1,0,0,0,0|0,0,0]=1 48 B8R0.18 CC(C)[C@H](CN)C(=O)O F15099 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O C15482 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,1,0,0,0,0|0,0,0]=1 51 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.27 C[C@H](C(=O)O)C(F)(F)F I10973 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.37 CC(C)[C@](C)(N)C(=O)O O10056 [0,1,0,0,0,0|0,0,0]=1 59 B8R1.31 CC1NCC1C(=O)O P14366 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.31 CN1CC[C@H]1C(=O)O D79077 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.31 CN1CC[C@H]1C(=O)O F50250 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.31 CN1CC[C@H]1C(=O)O F50319 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O P15238 [0,0,0,1,0,0|0,0,0]=1 64 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P15463 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.54 N[C@H](C(=O)O)C1CC1 59339 [0,0,0,1,0,0|0,0,0]=1 66 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [0,0,0,1,0,0|3,0,0]=4 69 B8R0.23 C=C(C)C[C@H](N)C(=O)O FD21883 [0,0,0,0,0,1|0,0,2]=3 70 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,0,0,0,0,1|2,0,1]=4 71 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,0,0,0,0,1|2,0,1]=4 72 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,0,0,0,0,1|2,0,1]=4 73 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,0,0,0,0,1|0,0,0]=1 74 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,0,0,0,0,1|2,0,0]=3 75 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,0,0,0,0,1|0,0,0]=1 76 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,0,0,0,0,1|0,0,0]=1 77 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,0,0,0,0,1|1,0,0]=2 78 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21181 [0,0,0,0,0,1|2,0,1]=4 79 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.3 C=C[C@@H](N)CO 52208 [2,0,0,0,0,0|2,0,0]=4 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B7R0.2 COC(=O)C[C@H](C)N S11691 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.2 N[C@H](CO)CC(=O)O D95019 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.2 N[C@H](CO)CC(=O)O F14029 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.9 CC(C)(C)CB(O)O C10943 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [1,1,0,0,0,0|0,0,1]=3 110 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [1,1,0,0,0,0|0,0,1]=3 111 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [1,1,0,0,0,0|0,0,1]=3 112 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,1,0,0,0,0|0,0,0]=2 115 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,1,0,0,0,0|0,0,0]=2 118 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,1,0,0,0,0|0,0,0]=2 120 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,1,0,0,0,0|0,0,0]=2 121 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,1,0,0,0,0|0,0,0]=2 122 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [1,1,0,0,0,0|0,0,1]=3 124 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.10 CC[C@H](O)C(=O)OC 98375 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.10 CN[C@@H](C)C(=O)OC D84514 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.10 COC(=O)[C@@H](Br)CO AB21729 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.10 COC(=O)[C@@H](C)CBr T71508 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.10 COC(=O)[C@@H](Cl)CCl D77820 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.10 COC(=O)[C@@H](N)CCl FD3044 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.10 COC(=O)[C@@H](O)CN AC4978 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.10 COC(=O)[C@@H](O)CN D97235 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.13 CC(C)(CN)C(=O)O D76726 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [1,1,0,0,0,0|0,0,0]=2 136 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.13 NCC(F)(F)C(=O)O 51202 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.14 CC(C)(C)[C@@H](N)CO 39285 [1,1,0,0,0,0|0,0,1]=3 142 B7R0.14 CC(C)(C)[C@H](N)C#N D79356 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.15 CC(C)C(CO)CO 73803 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.15 CC[C@@H](CO)C(C)C C74656 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.15 CC[C@H](NC)C(=O)O W18322 [1,1,0,0,0,0|0,0,0]=2 146 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [1,1,0,0,0,0|1,0,0]=3 148 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F 91663 [0,1,0,0,0,1|2,0,0]=4 149 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21918 [0,1,0,0,0,1|0,0,0]=2 150 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [0,1,0,0,0,1|1,0,1]=4 151 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O F12353 [0,1,0,0,0,1|0,0,0]=2 152 B9R0.23 CC[C@@H](C)[C@@H](N)CC(=O)O FD10188 [0,1,0,0,0,1|0,0,0]=2 153 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,1,0,0,0,1|1,0,1]=4 154 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [0,1,0,0,0,1|1,0,0]=3 155 B9R0.39 CC(C)\C=C(/C#N)C(=O)O C76434 [0,1,0,0,0,1|0,0,2]=4 156 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,1,0,0,0,1|0,0,0]=2 157 B9R0.57 N[C@@H](CC(F)(F)F)C(=O)O F20568 [0,1,0,0,0,1|2,0,0]=4 158 B9R0.79 CC(C)C(O)C(N)C(=O)O 25811 [0,1,0,0,0,1|0,0,0]=2 159 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,1,0,0,0,1|0,0,0]=2 160 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O AB11505 [0,1,0,0,0,1|1,0,0]=3 161 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C C16120 [0,2,0,0,0,0|0,0,0]=2 162 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69603 [0,2,0,0,0,0|0,0,0]=2 163 B9R0.25 COC(=O)[C@@H](N)C(F)(F)F C10921 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl D83266 [0,2,0,0,0,0|1,0,0]=3 165 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O FD21799 [0,2,0,0,0,0|0,0,0]=2 166 B9R0.29 CN[C@H](C(=O)OC)C(C)C A51171 [0,2,0,0,0,0|0,0,0]=2 167 B9R0.29 CN[C@H](C(=O)OC)[C@@H](C)O W19727 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.29 COC(=O)[C@@H](C#N)C(C)C Y11402 [0,2,0,0,0,0|0,0,1]=3 169 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C N12291 [0,2,0,0,0,0|0,0,0]=2 170 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|1,0,0]=3 184 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|0,0,0]=2 185 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|0,0,0]=2 186 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [1,0,0,1,0,0|1,0,0]=3 188 B7R1.16 CC1(C)CC(=O)C1 P13045 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.16 CC1(C)CC(=O)N1 D72853 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.16 CC1(C)CC(O)C1 P16551 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.16 CC1(N)CC(=O)C1 P17533 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.20 C[C@H](O)CC1CC1 79072 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [1,0,0,1,0,0|1,0,1]=4 197 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [1,0,0,1,0,0|0,0,1]=3 198 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.4 NC1COCC1O O11159 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.4 NN1CCOC1=O S10190 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [1,0,0,1,0,0|1,0,1]=4 202 B7R1.4 N[C@@H]1COC[C@@H]1F W12424 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.4 N[C@@H]1COC[C@@H]1N P15675 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|1,0,0]=3 209 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|0,1,0]=3 212 B7R1.4 N[C@H]1COC[C@@H]1F W12730 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.4 N[C@H]1COC[C@@H]1N 37783 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.4 N[C@H]1COC[C@@H]1N 37786 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.4 N[C@H]1COC[C@@H]1N P15676 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.4 N[C@H]1CONC1=O FD3007 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.18 NC(=O)C1CCC1 20365 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.18 O=C(O)C1=CCC1 P16818 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.18 O=C(O)C1COC1 81314 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.18 O=C(O)C1CSC1 P12604 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [1,0,0,1,0,0|1,0,0]=3 230 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.19 NC(=O)C1(Br)CC1 D85812 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.19 NC(=O)C1(N)CC1 72646 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.19 NC(=O)C1(N)CC1 P15295 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.22 N[C@@H](CO)C1CC1 N11217 [1,0,0,1,0,0|0,0,1]=3 235 B7R1.22 N[C@@H](CO)C1CC1 P18914 [1,0,0,1,0,0|0,0,1]=3 236 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [1,0,0,1,0,0|0,0,1]=3 237 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,0,0,1,0,1|2,0,0]=4 238 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,0,0,1,0,1|2,0,0]=4 239 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,0,0,1,0,1|2,0,0]=4 240 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,0,0,1,0,1|0,0,0]=2 241 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,0,0,1,0,1|0,0,0]=2 242 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,0,0,1,0,1|1,0,0]=3 243 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,0,0,1,0,1|1,0,0]=3 244 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,0,0,1,0,1|2,0,0]=4 245 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,0,0,1,0,1|1,0,0]=3 246 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,0,0,1,0,1|2,0,0]=4 247 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,0,0,1,0,1|2,0,0]=4 248 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,0,0,1,0,1|2,0,0]=4 249 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,0,0,1,0,1|2,0,0]=4 250 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,0,0,1,0,1|1,0,0]=3 251 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,0,0,1,0,1|2,0,0]=4 252 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,0,0,1,0,1|1,0,0]=3 253 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,0,0,1,0,1|1,0,0]=3 254 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,0,0,1,0,1|1,0,0]=3 255 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,0,0,1,0,1|1,0,0]=3 256 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,0,0,1,0,1|1,0,1]=4 257 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [0,0,0,1,0,1|1,0,1]=4 258 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,0,0,1,0,1|1,0,0]=3 259 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,0,0,1,0,1|0,0,0]=2 260 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,0,0,1,0,1|0,0,0]=2 261 B9R1.112 O=C(O)C(=O)NC1CC1 W11568 [0,0,0,1,0,1|1,0,1]=4 262 B9R1.152 NC1(C(=O)O)CC(F)C1 P12535 [0,0,0,1,0,1|1,0,0]=3 263 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,0,0,1,0,1|1,0,1]=4 264 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,0,0,1,0,1|1,0,0]=3 265 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,0,0,1,0,1|2,0,0]=4 266 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,0,0,1,0,1|2,0,0]=4 267 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,0,0,1,0,1|2,0,0]=4 268 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.41 O=C(O)C1CNCC1O 73173 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.81 COC(=O)C1CNC1C P14367 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.101 COC(=O)[C@@H](N)C1CC1 C72534 [0,1,0,1,0,0|0,0,0]=2 285 B9R1.101 COC(=O)[C@@H](N)C1CC1 W11640 [0,1,0,1,0,0|0,0,0]=2 286 B9R1.110 C[C@H](C(=O)O)C1CNC1 D96727 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,1,0,1,0,0|0,0,0]=2 288 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,1,0,1,0,0|0,0,0]=2 289 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [0,1,0,1,0,0|0,0,0]=2 290 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [0,1,0,1,0,0|0,0,0]=2 291 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P15964 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,1,0,1,0,0|0,0,0]=2 293 B9R1.168 CN(C)C1(C(=O)O)CC1 I10738 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.223 CC1(C)OC(C)(C)C1N P18793 [0,1,0,1,0,0|1,0,1]=4 295 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|1,0,0]=3 296 B7R0.6 CC(=O)NNC(C)C F19849 [1,0,0,0,0,1|2,0,0]=4 297 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,0,0,0,1|0,0,1]=3 298 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,0,0,0,0,1|1,0,1]=4 299 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,0,0,0,0,1|2,0,0]=4 300 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,0,0,0,1|1,0,1]=4 301 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,0,0,0,1|1,0,0]=3 302 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [0,0,0,0,0,2|1,0,1]=4 303 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,0,0,0,0,2|1,0,1]=4 304 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,0,0,0,0,2|1,0,1]=4 305 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,0,0,0,0,2|1,0,0]=3 306 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,0,0,0,0,2|1,0,0]=3 307 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,0,0,0,0,2|0,0,0]=2