0 B6R0.3 C=C(Br)C(=O)OC M40168 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C=C(F)C(=O)OC M40171 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 CC(C)C(=O)NN I0020 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CC(C)[C@H](N)CO V40442 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CC(C)\C(N)=N\O H39948 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.3 CCC(=O)N(C)C D67412 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CN(C)C(=O)CBr B40249 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 CN(C)C(=O)CN A39947 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.3 CN(C)C(=O)CN A40307 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 CN(C)C(=O)CN A61441 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.3 CN(C)C(=O)CO H40267 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.3 COC(=O)[C@H](C)N A68085 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 COC(=O)[C@H](C)N M68343 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 COC(=O)[C@H](C)O M69777 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.3 CON(C)C(C)=O M3307 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 CC#C[C@H](C)O B1790 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(C)CNN B40316 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(C)\C=N\O I2624 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 COC[C@@H](C)N M40311 [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.3 C#CC(=O)OC M40108 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.3 C=CC(=O)NC M37664 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.3 CCC(=N)NO H39883 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 CCC(=O)CN A32390 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CCC(=O)CO H36713 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 CNC(=O)CBr B60913 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 CNC(=O)CCl C67921 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.3 COC(=O)CN M69126 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.3 COC(=O)CO M67586 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.3 CO[C@@H](C)CN M40313 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 CO[C@H](C)CN M40312 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 NNC(=O)CO H32091 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.3 O=C(CCl)CCl D4849 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.5 C=C(F)C(=O)O F39831 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,0,0,0,0,0|1,0,2]=4 46 B5R0.5 CC(C)B(O)O P39893 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.5 CC(C)C(=N)N B40303 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.5 CC(C)C(N)=S M3101 [1,0,0,0,0,0|1,1,0]=3 50 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.5 CN(C)C(=S)Cl D8332 [1,0,0,0,0,0|2,1,0]=4 53 B5R0.5 CN(N)C(N)=O M1991 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,0,0|1,0,0]=2 59 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,0,0|1,0,0]=2 60 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.5 O=C(O)C(=O)O A69569 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.5 O=C(O)C(=O)O E39942 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.5 CC(C)C(=O)CC#N M43378 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.5 CC(C)C(=O)OCCl C24559 [0,1,0,0,0,0|0,0,0]=1 65 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.5 CCOC(=O)C(N)=S E15645 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|0,0,2]=3 74 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|0,0,2]=3 75 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|1,0,0]=2 80 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|0,0,0]=1 86 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|0,0,0]=1 87 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|0,0,0]=1 94 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.10 CON(C)C(=O)CCl C40248 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.14 CC(C)(C)C(=O)NN D40427 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.14 CC(C)(O)C(=O)NN H39949 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.14 CNC(=O)C(F)(F)F M39847 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.14 COC(=N)C(Cl)(Cl)Cl M39846 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.14 COC(=O)C(C)(C)F M41271 [0,1,0,0,0,0|0,0,0]=1 104 B7R0.14 COC(=O)C(C)(C)N M67502 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.15 COC(OC)[C@H](C)Br B4889 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.16 CC(C)C(N)C(C)C D46525 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.16 CN(C)C(=N)N(C)C T60760 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.16 CN(C)C(=O)N(C)C T60681 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|2,1,0]=4 112 B7R1.4 CN1CCN=C1N M40301 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.4 CN1CCNC1=O M40241 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|2,0,0]=3 115 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|0,0,0]=1 118 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.17 CC1(C)CCC1=O D60316 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.22 N=C(NO)C1CC1 H38637 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.22 NNC(=O)C1CC1 C7568 [0,0,0,1,0,0|2,0,0]=3 136 B7R0.2 CC(C)NC(=O)CCl P40378 [0,0,0,0,0,1|2,0,0]=3 137 B7R0.2 CC(C)OC(=O)CO I38145 [0,0,0,0,0,1|2,0,0]=3 138 B7R0.2 CCC(=O)CC(C)=O H69646 [0,0,0,0,0,1|2,0,1]=4 139 B7R0.2 CCC(=O)OC(C)=O A41227 [0,0,0,0,0,1|2,0,1]=4 140 B7R0.2 COC(=O)C=C(C)C M41461 [0,0,0,0,0,1|0,0,1]=2 141 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,0,0,0,0,1|2,0,1]=4 142 B7R0.2 COC(=O)CC(=O)O M37882 [0,0,0,0,0,1|2,0,1]=4 143 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,0,0,0,0,1|2,0,1]=4 144 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,0,0,0,0,1|1,0,0]=2 145 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,0,0,0,0,1|1,0,0]=2 146 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,0,0,0,0,1|1,0,0]=2 147 B7R0.2 COC(=O)\C=C(\C)N M68908 [0,0,0,0,0,1|1,0,1]=3 148 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 149 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,0]=3 150 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(C)=CBr B2881 [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 CC(C)NN P67395 [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CC(C)ON P39935 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 156 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 160 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 CNN(C)C T66359 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 COC(=N)N M69240 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|1,0,1]=4 164 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|1,0,1]=4 174 B4R0.2 COCCI K39881 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.2 CC(C)C[C@H](C)N M43511 [1,1,0,0,0,0|1,0,1]=4 177 B6R0.2 CC(C)NC(C)C D64760 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.5 CNCC(C)(C)O M40445 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.5 COCC(C)(C)O M40434 [1,1,0,0,0,0|0,0,1]=3 186 B6R0.8 CCS(=O)(=O)OC M39889 [1,1,0,0,0,0|1,0,0]=3 187 B6R0.9 CCN(C=O)CC D68184 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.9 COC(C=O)OC D38564 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.7 CC(C)(Br)C(N)=O B38472 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.7 CC(C)(C)C(=N)N P41342 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [1,1,0,0,0,0|0,0,1]=3 192 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [1,1,0,0,0,0|0,0,1]=3 193 B6R0.7 CC(C)(C)C(N)=O T40403 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.7 CC(C)(C)C(N)=S D40417 [1,1,0,0,0,0|1,1,0]=4 195 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.7 CC(C)(F)C(=O)O F60900 [1,1,0,0,0,0|0,0,0]=2 198 B6R0.7 CC(C)(O)C(N)=O H40266 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.7 CC(C)S(N)(=O)=O P39892 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.7 CC(F)(F)C(=O)O D39849 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.7 C[C@@H](N)C(C)(C)C D23001 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.7 O=C(O)C(F)(F)Br B39790 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.7 O=C(O)C(F)(F)F E20763 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.7 O=C(O)C(F)(F)F F60389 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.7 O=C(O)C(F)(F)F F60468 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.7 O=C(O)C(F)(F)F M20739 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.2 COC(=O)C(=O)[C@H](C)Br B6543 [0,1,0,0,0,1|1,0,0]=3 208 B8R0.2 COC(=O)C(N)C(C)O M41339 [0,1,0,0,0,1|1,0,0]=3 209 B8R0.2 COC(=O)[C@@H](C)C(C)=O M65039 [0,1,0,0,0,1|1,0,1]=4 210 B8R0.2 COC(=O)[C@@H](Cl)C(C)=O M41184 [0,1,0,0,0,1|1,0,1]=4 211 B8R0.2 COC(=O)[C@@H](N)C(C)=O M41375 [0,1,0,0,0,1|1,0,1]=4 212 B8R0.2 COC(=O)[C@@H](N)C(C)C M68320 [0,1,0,0,0,1|0,0,0]=2 213 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T41338 [0,1,0,0,0,1|1,0,0]=3 214 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O M41341 [0,1,0,0,0,1|1,0,0]=3 215 B8R0.2 COC(=O)[C@H](N)C(C)C M60727 [0,1,0,0,0,1|0,0,0]=2 216 B8R0.2 CON(C)C(=O)C(C)C M16724 [0,1,0,0,0,1|2,0,0]=4 217 B8R0.5 CC(C)OC(=O)OCCl C68871 [0,1,0,0,0,1|0,0,0]=2 218 B8R0.5 CC(C)OC(=O)OCI K62369 [0,1,0,0,0,1|0,0,0]=2 219 B8R0.5 CC(C)OC(=O)\C=C/I P67231 [0,1,0,0,0,1|1,0,1]=4 220 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,1,0,0,0,1|1,0,0]=3 221 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,1,0,0,0,1|1,0,0]=3 222 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,1,0,0,0,1|1,0,0]=3 223 B8R0.5 COCC(=O)OC(C)C P65707 [0,1,0,0,0,1|0,0,0]=2 224 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,0,0,0,1|1,0,1]=4 225 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,1|1,0,0]=3 226 B8R0.19 CNC(C)=CC(=O)OC M41506 [0,1,0,0,0,1|0,0,1]=3 227 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,1,0,0,0,1|1,0,1]=4 228 B8R0.19 COC(=O)CC(=O)OC D60836 [0,1,0,0,0,1|1,0,1]=4 229 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,1|1,0,0]=3 230 B8R0.19 COC(=O)\C=C(/C)OC M5601 [0,1,0,0,0,1|0,0,1]=3 231 B8R0.23 C=C(C)C(=O)NC(C)C P43839 [0,1,0,0,0,1|1,0,0]=3 232 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,1,0,0,0,1|1,0,0]=3 233 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [0,1,0,0,0,1|1,0,0]=3 234 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [0,1,0,0,0,1|1,0,0]=3 235 B8R0.24 C#CC(=O)OC(C)(C)C B43714 [0,1,0,0,0,1|1,0,1]=4 236 B8R0.24 CC(C)(C)OC(=O)CI B41529 [0,1,0,0,0,1|2,0,0]=4 237 B8R0.24 CC(C)(C)OC(=O)CN A38454 [0,1,0,0,0,1|2,0,0]=4 238 B8R0.24 CC(C)(C)OC(=O)CO H32095 [0,1,0,0,0,1|2,0,0]=4 239 B8R0.24 CC(C)(C)OC(=O)NN B12512 [0,1,0,0,0,1|2,0,0]=4 240 B8R0.24 CC(C)(C)OC(=O)NO H32224 [0,1,0,0,0,1|2,0,0]=4 241 B8R0.24 CNC(=O)OC(C)(C)C B2974 [0,1,0,0,0,1|1,0,0]=3 242 B8R0.24 COC(=O)CC(C)(C)O M41558 [0,1,0,0,0,1|0,0,0]=2 243 B8R0.24 COC(=O)CS(C)(=O)=O M40262 [0,1,0,0,0,1|2,0,0]=4 244 B8R0.34 CCS(=O)(=O)OC(C)C P61641 [0,1,0,0,0,1|2,0,0]=4 245 B8R0.3 C=C(CBr)C(=O)OCC E43400 [0,2,0,0,0,0|0,0,2]=4 246 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,2,0,0,0,0|0,0,2]=4 247 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|1,0,0]=3 248 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 249 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 250 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|0,0,0]=2 251 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|0,0,0]=2 256 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.3 CCOC(=O)[C@H](C)C#N E43380 [0,2,0,0,0,0|0,0,1]=3 261 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.14 CC(C)(C)C(=O)CC#N P60982 [0,2,0,0,0,0|1,0,1]=4 265 B8R0.14 CC(C)(C)C(=O)CC=O D8624 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [0,2,0,0,0,0|0,0,0]=2 267 B8R0.14 CC(C)(C)C(=O)OCI K62297 [0,2,0,0,0,0|0,0,0]=2 268 B8R0.13 COC(=O)C(C)(C)C#N M43383 [0,2,0,0,0,0|0,0,0]=2 269 B8R0.13 COC(=O)C(C)(C)C=O M41471 [0,2,0,0,0,0|0,0,0]=2 270 B8R0.13 COC(=O)C(C)(C)CN M43502 [0,2,0,0,0,0|0,0,0]=2 271 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,2,0,0,0,0|0,0,0]=2 272 B8R0.20 COC(=O)C(CN)CN M41391 [0,2,0,0,0,0|0,0,0]=2 273 B8R0.20 COC(=O)C(OC)OC M40396 [0,2,0,0,0,0|0,0,0]=2 274 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.18 CC(C)N(C=O)C(C)C D43907 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|1,0,1]=4 277 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|2,0,0]=4 283 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,1]=4 285 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|1,0,1]=4 286 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|1,0,1]=4 287 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|1,0,1]=4 288 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|1,0,1]=4 289 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|1,0,1]=4 290 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|1,0,1]=4 291 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|1,0,1]=4 292 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|1,0,1]=4 293 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|1,0,1]=4 294 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,1]=4 295 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,1]=4 297 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|1,0,1]=4 298 B6R1.3 CNCC1CC1 C25333 [1,0,0,1,0,0|1,0,1]=4 299 B6R1.3 NOCC1CC1 C36851 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.10 CC1(C)CNC1 D11454 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.10 CC1(N)COC1 M5614 [1,0,0,1,0,0|1,0,1]=4 302 B6R1.10 CC1(N)COC1 M7167 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.10 CC1(O)COC1 M6651 [1,0,0,1,0,0|1,0,1]=4 304 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|2,0,0]=4 305 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|0,0,0]=2 306 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|2,0,0]=4 308 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,1,0,1|2,0,0]=4 309 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,1,0,1|2,0,0]=4 310 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,1,0,1|1,0,0]=3 311 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,1,0,1|2,0,0]=4 312 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,1,0,1|2,0,0]=4 313 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,1,0,1|2,0,0]=4 314 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,1|2,0,0]=4 315 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,1,0,1|2,0,0]=4 316 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,1,0,1|2,0,0]=4 317 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,1,0,1|2,0,0]=4 318 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,1,0,1|2,0,0]=4 319 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,1,0,1|2,0,0]=4 320 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,1,0,1|1,0,0]=3 321 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,1,0,1|1,0,0]=3 322 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,1,0,1|2,0,0]=4 323 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,1|2,0,0]=4 324 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,1|2,0,0]=4 325 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,1,0,1|2,0,0]=4 326 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,1,0,1|2,0,0]=4 327 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,0,0,1,0,1|2,0,0]=4 328 B8R1.40 COC(=O)CC1CC1 M11217 [0,0,0,1,0,1|0,0,0]=2 329 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,0,0,1,0,1|2,0,0]=4 330 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,0,0,1,0,1|1,0,0]=3 331 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,0,0,1,0,1|1,0,0]=3 332 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,0,0,1,0,1|1,0,0]=3 333 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,0,0,1,0,1|0,0,0]=2 334 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.19 CC1(C)CCNC1=O D13691 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.19 O=C1NCCC1(F)F D29703 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.37 CCOC(=O)C1CC1 E41463 [0,1,0,1,0,0|0,0,0]=2 357 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.37 N#CCC(=O)C1CC1 C12507 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.38 CC(CO)C1CCO1 X60289 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|0,0,0]=2 365 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|0,0,0]=2 367 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|0,0,0]=2 368 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|0,0,0]=2 369 B8R1.38 NNC(=O)C1CCC1 C12362 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.39 CC1(C(=O)NN)CC1 M40371 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,1,0,1,0,0|0,0,0]=2 372 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,1,0,1,0,0|0,0,0]=2 373 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,1,0,1,0,0|0,0,0]=2 374 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|0,0,0]=2 375 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.48 CC1(C)CO[C@H]1CN D23201 [0,1,0,1,0,0|1,0,1]=4 378 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|1,0,0]=3