0 B6R0.3 C#CC(=O)N(C)C L19965 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CC(C)C(C)NN P42479 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.3 CC(C)C(O)CN P40479 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CCC(C)C(C)N O31127 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.3 CCC(N)C(C)O L20519 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.3 CN(C)C(=O)CN P36418 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CNC(=O)C(C)N P38407 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CNC(=O)[C@@H](C)N P37080 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CNC(=O)[C@H](C)N P37082 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CC(O)CON M15150 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 COCC(C)Br O32164 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.3 C#CC(=O)NC L19171 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.3 CNC(=O)CBr P38653 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.3 CNC(=O)CN P37877 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 CNC(=O)CO P37539 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.3 COC(=N)CCl P36514 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 COC(C)CN P36510 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.5 C=C(F)C(=O)O P51526 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.5 CC(C)S(N)=O O29745 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.5 CC(Cl)C(=N)N L21176 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.5 CC(N)C(C)O P38125 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.5 CC(N)C(N)=O P37963 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.5 CC(O)C(N)=O P39940 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.5 C[C@@H](O)C(=N)N P38252 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.5 C[C@H](O)C(=N)N P41718 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.5 CCOC(=O)C(=O)O P37044 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.5 CN(C)C(=O)CCCl P40567 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.5 CN(C)C(=O)CCN O33598 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.5 CNCC(=O)N(C)C P40286 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.10 CCC(=O)N(C)OC P42839 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.10 CCN(C)C(=O)CN P36486 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.10 CN[C@@H](C)C(=O)OC P40007 [0,1,0,0,0,0|0,0,0]=1 39 B7R0.10 COC(=O)C(C)CN P35475 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.10 COC(=O)[C@@H](N)CN P41137 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.14 CCC(=O)C(C)(C)C O30499 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.14 CCC(=O)C(F)(F)F P38408 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.14 CNC(=O)C(C)(C)N P35830 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.14 CNC(=O)C(C)(C)N P42765 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.14 COC(=O)C(C)(F)F O34592 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.15 CCC(CO)C(C)C K16110 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.16 CC(N)C(=O)N(C)C P42081 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.16 CC(N)C(=O)N(C)C P42198 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.16 C[C@@H](N)C(=O)N(C)C P39515 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.16 C[C@@H](N)C(=O)N(C)C P41438 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.16 C[C@H](N)C(=O)N(C)C P36061 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.16 C[C@H](N)C(=O)N(C)C P42054 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|1,0,0]=2 54 B7R1.4 CC1CCNC1C Q61659 [0,0,0,1,0,0|2,0,1]=4 55 B7R1.4 CN1CCCC1=N Q59266 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.4 CN1CCNC1=S O29860 [0,0,0,1,0,0|2,1,0]=4 57 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|1,0,0]=2 63 B7R1.4 NC1CCNC1=O F-4440 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.4 NN1CCCC1=O P51102 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.4 N[C@@H]1CCNC1=O F-4458 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.4 N[C@H]1CCNC1=O F-4459 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.4 N[C@H]1CCNC1=O L14236 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.4 O=C1CCCC1=O L19145 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.4 O=C1CCCC1O Q61720 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.4 O=C1CCNC1=O Q62042 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.4 O=C1NCCC1Br O31241 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.4 O=C1NCCC1F Q62170 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.4 O=C1NCCC1O D-2532 [0,0,0,1,0,0|2,0,0]=3 74 B7R1.4 O=C1NCC[C@@H]1F Q63592 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.4 O=C1NCC[C@H]1F Q63593 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.4 O=C1NCC[C@H]1O O30124 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.4 OC1CCC=C1Br O29401 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,0,0,1,0,0|2,0,1]=4 80 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,0,0,1,0,0|2,0,1]=4 84 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,0,0,1,0,0|2,0,1]=4 85 B7R1.15 CN1CC(N)C1=O P45666 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.15 CN1C[C@@H](N)C1=O P46164 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.15 CN1C[C@H](N)C1=O P45267 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.17 CC1(C)CCC1=O Q54759 [0,0,0,1,0,0|1,0,0]=2 89 B7R1.17 CC1(C)CCC1O O32944 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.17 CC1(C)CNC1=O P45241 [0,0,0,1,0,0|1,0,0]=2 91 B7R1.17 CC1(C)OCC1=O L22440 [0,0,0,1,0,0|2,0,0]=3 92 B7R1.18 CC(C)C1CCN1 P45191 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.18 CC(C)C1CCN1 P48185 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.19 CC(C)C1(O)CC1 L22368 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.22 CCC(=O)C1CC1 I-9941 [0,0,0,1,0,0|1,0,0]=2 96 B7R1.22 CCC(N)C1CC1 L14734 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.22 CCC(O)C1CC1 L14172 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.22 CNC(C)C1CC1 P42683 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.22 NNC(=O)C1CC1 G-5359 [0,0,0,1,0,0|2,0,0]=3 100 B7R0.2 C#CC(=O)OC(C)C S86242 [0,0,0,0,0,1|1,0,1]=3 101 B7R0.2 C=CC(=O)CC(C)C L19279 [0,0,0,0,0,1|1,0,1]=3 102 B7R0.2 CC(C)NC(=O)CBr P36229 [0,0,0,0,0,1|2,0,0]=3 103 B7R0.2 CC(C)NC(=O)CN P36647 [0,0,0,0,0,1|2,0,0]=3 104 B7R0.2 CC(C)NC(=O)CN P37073 [0,0,0,0,0,1|2,0,0]=3 105 B7R0.2 CCC(=O)CC(C)=O O31794 [0,0,0,0,0,1|2,0,1]=4 106 B7R0.2 COC(=O)CC(C)N P41489 [0,0,0,0,0,1|1,0,0]=2 107 B7R0.2 COC(=O)CN(C)C P36457 [0,0,0,0,0,1|1,0,0]=2 108 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,0,0,0,0,1|1,0,0]=2 109 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [0,0,0,0,0,1|3,0,0]=4 110 B4R0.1 C#CC(C)=O P41295 [2,0,0,0,0,0|0,0,2]=4 111 B4R0.1 C=C(C)CN P39039 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 CC(Br)CO O34000 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 C[C@@H](Cl)CO 10058 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.2 COCCI O28025 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.2 CC(=O)NC(C)C P50955 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.4 CC(C)NCCCl O34399 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.5 CNCC(C)(C)C P38864 [1,1,0,0,0,0|1,0,1]=4 122 B6R0.5 CNCC(C)(C)O F-4611 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.5 COCC(C)(C)N P39356 [1,1,0,0,0,0|0,0,1]=3 124 B6R0.7 CC(C)(C)S(N)=O G-6674 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.7 CC(C)(N)C(N)=O P40473 [1,1,0,0,0,0|1,0,0]=3 126 B6R0.7 CC(C)C(C)(C)N O32138 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.7 O=C(O)C(F)(F)F H-8200 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.7 O=C(O)C(F)(F)F O33159 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.7 O=C(O)C(F)(F)F O33161 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.7 O=C(O)C(F)(F)F P48132 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.7 O=C(O)C(F)(F)F P49801 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.7 O=C(O)C(F)(F)F P50106 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.7 O=C(O)C(F)(F)F P50453 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.7 O=C(O)C(F)(F)F Q57096 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.7 O=C(O)C(F)(F)F Q66175 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.2 CNC(=O)C(N)C(C)C P40222 [0,1,0,0,0,1|1,0,0]=3 137 B8R0.2 CNC(=O)[C@@H](N)C(C)C Q66204 [0,1,0,0,0,1|1,0,0]=3 138 B8R0.2 CON(C)C(=O)C(C)C L13790 [0,1,0,0,0,1|2,0,0]=4 139 B8R0.5 CC(C)NC(=O)CC#N P37631 [0,1,0,0,0,1|1,0,1]=4 140 B8R0.5 CCOC(=O)CC(C)N P42993 [0,1,0,0,0,1|1,0,0]=3 141 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,1,0,0,0,1|1,0,0]=3 142 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,1,0,0,0,1|1,0,0]=3 143 B8R0.5 CNCC(=O)NC(C)C P37714 [0,1,0,0,0,1|1,0,0]=3 144 B8R0.5 CNCC(=O)NC(C)C P42287 [0,1,0,0,0,1|1,0,0]=3 145 B8R0.23 CC(C)OC(=O)[C@@H](C)N P38334 [0,1,0,0,0,1|1,0,0]=3 146 B8R0.24 C#CC(=O)OC(C)(C)C P41445 [0,1,0,0,0,1|1,0,1]=4 147 B8R0.24 CC(C)(C)NC(=O)CCl P40932 [0,1,0,0,0,1|2,0,0]=4 148 B8R0.24 CC(C)(C)OC(=O)CN P36852 [0,1,0,0,0,1|2,0,0]=4 149 B8R0.24 CNC(=O)OC(C)(C)C P40845 [0,1,0,0,0,1|1,0,0]=3 150 B8R0.3 C#CC[C@@H](N)C(=O)OC Q65834 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.3 C#CC[C@H](N)C(=O)OC P40730 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.3 C=C(CO)C(=O)OCC F-4649 [0,2,0,0,0,0|0,0,2]=4 153 B8R0.3 CCCC(N)C(=O)OC P43113 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.3 CCOC(=O)C(C)CN P40244 [0,2,0,0,0,0|0,0,0]=2 155 B8R0.3 CCOC(=O)C(N)CC P37453 [0,2,0,0,0,0|1,0,0]=3 156 B8R0.3 CCOC(=O)C(O)CC P37661 [0,2,0,0,0,0|1,0,0]=3 157 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.3 CCOC(=O)[C@@H](N)CN P41065 [0,2,0,0,0,0|1,0,0]=3 159 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,2,0,0,0,0|1,0,0]=3 160 B8R0.3 COCC(=O)N(C)OC P41688 [0,2,0,0,0,0|1,0,0]=3 161 B8R0.3 CO\C=C(/I)C(=O)OC O32141 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.8 CC(C)C(=O)NCCN P37576 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.8 CNCCC(=O)N(C)C P40566 [0,2,0,0,0,0|2,0,0]=4 164 B8R0.14 CCNC(=O)C(C)(C)N P42185 [0,2,0,0,0,0|1,0,0]=3 165 B8R0.14 CCNC(=O)C(C)(C)N P42279 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.14 CCNC(=O)C(C)(C)O L20799 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.14 CCOC(=O)C(C)(F)F P39038 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.13 CNC(=O)C(C)(C)CN P36242 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.27 CN(C)C(=O)C(C)(C)N P36955 [0,2,0,0,0,0|1,0,0]=3 170 B8R0.27 CN(C)C(=O)C(C)(C)N P43110 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.18 CNC(C(=O)O)C(C)C P39309 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.18 CN[C@H](C(=O)O)C(C)C P40211 [0,2,0,0,0,0|1,0,1]=4 173 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,1,0,0|1,0,1]=4 174 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|2,0,0]=4 175 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|1,0,1]=4 176 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|1,0,1]=4 178 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|1,0,1]=4 179 B6R1.2 IC1=COCC1 Q53484 [1,0,0,1,0,0|1,0,1]=4 180 B6R1.2 IC1CCOC1 C-3308 [1,0,0,1,0,0|1,0,1]=4 181 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,1,0,0|1,0,1]=4 182 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,1,0,0|1,0,1]=4 183 B6R1.2 NC1CCOC1 B-1171 [1,0,0,1,0,0|1,0,1]=4 184 B6R1.2 NC1CCOC1 P39935 [1,0,0,1,0,0|1,0,1]=4 185 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,1,0,0|1,0,1]=4 186 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,1,0,0|1,0,1]=4 187 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,1,0,0|1,0,1]=4 188 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,1,0,0|1,0,1]=4 189 B6R1.2 OC1C=CCC1 Q62924 [1,0,0,1,0,0|2,0,0]=4 190 B6R1.2 OC1CCOC1 C-3328 [1,0,0,1,0,0|1,0,1]=4 191 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,1,0,0|1,0,1]=4 192 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,1,0,0|1,0,1]=4 193 B6R1.3 CCNC1CC1 P36705 [1,0,0,1,0,0|2,0,0]=4 194 B6R1.3 CNCC1CC1 L13551 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.5 CC1CC(C)N1 P47027 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.5 CC1CC(C)N1 P48835 [1,0,0,1,0,0|2,0,0]=4 197 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [1,0,0,1,0,0|2,0,0]=4 200 B6R1.10 CC1(C)CCN1 P49830 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.10 CC1(C)CCN1 P49838 [1,0,0,1,0,0|2,0,0]=4 202 B6R1.10 CC1(C)CNC1 G-7241 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.10 CC1(C)CNC1 P46487 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.10 CC1(I)COC1 Q55935 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.10 CC1(N)COC1 C-2450 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.10 CC1(N)COC1 C-2981 [1,0,0,1,0,0|1,0,1]=4 207 B6R1.10 CC1(O)COC1 G-6552 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.4 CC1OCC1=O L18036 [1,0,0,1,0,0|2,0,0]=4 210 B6R1.4 NN1CCC1=O P48248 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.4 N[C@@H]1CNC1=O P44692 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.4 N[C@@H]1CNC1=O P50494 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.4 N[C@H]1CNC1=O P44185 [1,0,0,1,0,0|2,0,0]=4 214 B6R1.4 N[C@H]1CNC1=O Q52584 [1,0,0,1,0,0|2,0,0]=4 215 B6R1.4 O=C1CCC1Br P49445 [1,0,0,1,0,0|2,0,0]=4 216 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|2,0,0]=4 217 B6R1.4 O=C1NCC1O P45440 [1,0,0,1,0,0|2,0,0]=4 218 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,0,0,1,0,1|2,0,0]=4 219 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,1|2,0,0]=4 220 B8R1.4 CC1CCNC(=O)C1 L13355 [0,0,0,1,0,1|1,0,0]=3 221 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,0,0,1,0,1|1,0,0]=3 222 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,0,0,1,0,1|2,0,0]=4 223 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,1|2,0,0]=4 224 B8R1.4 C[C@@H]1CNCC(=O)N1 L13903 [0,0,0,1,0,1|2,0,0]=4 225 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,0,0,1,0,1|2,0,0]=4 226 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,0,0,1,0,1|2,0,0]=4 227 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,0,0,1,0,1|2,0,0]=4 228 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,1|2,0,0]=4 229 B8R1.4 C[C@H]1CNCC(=O)N1 G-7098 [0,0,0,1,0,1|2,0,0]=4 230 B8R1.4 C[C@H]1CNCC(=O)N1 H-8010 [0,0,0,1,0,1|2,0,0]=4 231 B8R1.4 NC1CCCC(=O)C1 P48005 [0,0,0,1,0,1|2,0,0]=4 232 B8R1.4 NC1CCNC(=O)C1 C-2485 [0,0,0,1,0,1|2,0,0]=4 233 B8R1.4 O=C1CC(F)CCN1 Q54422 [0,0,0,1,0,1|2,0,0]=4 234 B8R1.4 O=C1CCCC(Br)C1 P45384 [0,0,0,1,0,1|2,0,0]=4 235 B8R1.4 O=C1CCCC(F)C1 P43987 [0,0,0,1,0,1|2,0,0]=4 236 B8R1.4 O=C1CCCC(O)C1 L18346 [0,0,0,1,0,1|2,0,0]=4 237 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,0,0,1,0,1|2,0,0]=4 238 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,0,0,1,0,1|1,0,1]=4 239 B8R1.18 CN1CC(N)CC1=O I-9643 [0,0,0,1,0,1|2,0,0]=4 240 B8R1.18 CN1CC(O)CC1=O Q59318 [0,0,0,1,0,1|2,0,0]=4 241 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,0,0,1,0,1|0,0,1]=3 242 B8R1.40 COC(=O)CC1CC1 G-7131 [0,0,0,1,0,1|0,0,0]=2 243 B8R1.40 NCC(=O)NC1CC1 P36714 [0,0,0,1,0,1|2,0,0]=4 244 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,0,0,1,0,1|2,0,0]=4 245 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,0,0,1,0,1|2,0,0]=4 246 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,0,0,1,0,1|2,0,0]=4 247 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,0,0,1,0,1|1,0,0]=3 248 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,0,0,1,0,1|1,0,0]=3 249 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,0,0,1,0,1|1,0,0]=3 250 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,0,0,1,0,1|0,0,0]=2 251 B8R1.51 CC1(C)COC(=S)N1 O31778 [0,0,0,1,0,1|0,1,0]=3 252 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,0,0,1,0,1|2,0,0]=4 253 B8R1.5 CC1CCCNC1=O L13669 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.5 CC1CNCCC1=O O34502 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.5 CC1NCCNC1=O O34501 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.5 CN1CCNCC1=O G-5499 [0,1,0,1,0,0|2,0,0]=4 259 B8R1.5 CN1CCNCC1=O G-5499-1 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.5 C[C@@H]1NCCNC1=O O34331 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.5 C[C@H]1NCCNC1=O O34330 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.5 NC1CCCCC1=O P45934 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.5 N[C@@H]1CCCNC1=O O34375 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 N[C@H]1CCCNC1=O O34462 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.5 O=C1CCCCC1Br L21639 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.5 O=C1CCCCC1F P45307 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.5 O=C1CCNCC1Br Q52493 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.5 O=C1CCNCC1F G-7340 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.5 O=C1CCNCC1F Q56501 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|2,0,0]=4 271 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.5 O=C1NCCCC1Br L18696 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.5 O=C1NCCC[C@@H]1O P36280 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.5 O=C1NCCC[C@H]1O P39619 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.5 O=C1OCCCC1Br L20669 [0,1,0,1,0,0|1,0,0]=3 278 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.19 CC1(C)CCCC1=O L21296 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.19 CC1(C)CCNC1=O O30964 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.19 CC1(C)OCCC1=O Q63498 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.19 O=C1NCCC1(F)F L14522 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.24 CC1(C)C(=O)CC1O P48188 [0,1,0,1,0,0|1,0,0]=3 284 B8R1.37 CCCC(=O)C1CC1 P45338 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.54 CC(Br)C(=O)C1CC1 L14735 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.11 CNC1CCNC1=O L20781 [0,1,0,1,0,0|1,0,0]=3 287 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.11 O=C1NCCC1CO L13115 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.12 COC1CCC1CN P44996 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.12 COC1CCC1CO P50853 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.12 CO[C@@H]1CC[C@@H]1CO P50822 [0,1,0,1,0,0|1,0,1]=4 292 B8R1.12 CO[C@@H]1CC[C@H]1CO P50819 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.38 CC(CN)C1CCO1 Q56203 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.38 CC(CO)C1CCO1 O32942 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|1,0,0]=3 296 B8R1.38 CCC(=O)C1COC1 Q56142 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.38 CNC(=O)C1CCC1 P49094 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.38 CNC(=O)C1CNC1 P45048 [0,1,0,1,0,0|1,0,0]=3 299 B8R1.38 CNC(=O)C1CNC1 P45049 [0,1,0,1,0,0|1,0,0]=3 300 B8R1.38 COC(=O)C1C=CC1 P47818 [0,1,0,1,0,0|0,0,1]=3 301 B8R1.38 COC(=O)C1CCC1 P45206 [0,1,0,1,0,0|0,0,0]=2 302 B8R1.38 COC(=O)C1CCN1 F-4237 [0,1,0,1,0,0|0,0,0]=2 303 B8R1.38 COC(=O)C1CNC1 A-420 [0,1,0,1,0,0|0,0,0]=2 304 B8R1.38 COC(=O)C1CNC1 F-4426 [0,1,0,1,0,0|0,0,0]=2 305 B8R1.38 COC(=O)C1COC1 L13768 [0,1,0,1,0,0|0,0,0]=2 306 B8R1.38 COC(=O)[C@@H]1CCN1 G-7134 [0,1,0,1,0,0|0,0,0]=2 307 B8R1.38 COC(=O)[C@H]1CCN1 G-7965 [0,1,0,1,0,0|0,0,0]=2 308 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.38 NNC(=O)C1CCC1 P44614 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|2,0,0]=4 313 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|2,0,0]=4 314 B8R1.39 CC1(C(=O)NN)CC1 O34335 [0,1,0,1,0,0|2,0,0]=4 315 B8R1.39 COC(=O)C1(N)CC1 I-9591 [0,1,0,1,0,0|0,0,0]=2 316 B8R1.39 COC(=O)C1(O)CC1 I-9203 [0,1,0,1,0,0|0,0,0]=2 317 B8R1.50 CC1=C(O)COC1=O O32297 [0,1,0,1,0,0|0,0,2]=4 318 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.50 CC1CCN(C)C1=O O30589 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.50 CN1CCC(=O)C1=O Q59432 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.50 CN1CCC(O)C1=O Q62094 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.50 CN1CC[C@@H](N)C1=O Q62091 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.50 CN1CC[C@@H](N)C1=O Q63628 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.50 CN1CC[C@H](N)C1=O Q62092 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.50 CN1CC[C@H](N)C1=O Q63629 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53540 [0,1,0,1,0,0|2,0,0]=4 327 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O Q53541 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.58 CC1(C#N)CCC1=O P45814 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.58 CC1(CN)CNC1=O P47474 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.58 CC1(CO)COC1=O Q62787 [0,1,0,1,0,0|0,0,0]=2 331 B8R1.58 CCC1(C)CCC1=O P45220 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.48 CC1(C)COC1CN L22314 [0,1,0,1,0,0|1,0,1]=4 333 B8R1.48 CC1(C)COC1CO Q62789 [0,1,0,1,0,0|0,0,2]=4 334 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|1,0,0]=3 335 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|1,0,0]=3 336 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|1,0,0]=3 337 B8R2.38 O=C1CNC2CC12 H-8711 [0,0,0,2,0,0|2,0,0]=4 338 B8R2.38 O=C1NCC2CC12 Q61923 [0,0,0,2,0,0|1,0,0]=3 339 B8R2.19 O=C1CCC12CC2 L22262 [0,0,0,2,0,0|1,0,0]=3 340 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,0,0,0,0,2|2,0,0]=4 341 B8R0.9 COC(=O)CNC(C)=O P42621 [0,0,0,0,0,2|1,0,1]=4