0 B5R0.1 C=C(C)CON P51484 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(N)CCO P39048 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(O)CCN M22972 [0,0,0,0,0,0|1,1,0]=2 3 B5R0.1 CC(O)CON M15150 [0,0,0,0,0,0|2,1,0]=3 4 B5R0.1 CCC[C@H](C)N I-9318 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CNCC(C)O P40721 [0,0,0,0,0,0|1,1,0]=2 6 B5R0.1 CNCC(F)F P41399 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CNC[C@@H](C)O P41738 [0,0,0,0,0,0|1,1,0]=2 8 B5R0.1 CNC[C@H](C)O P36531 [0,0,0,0,0,0|1,1,0]=2 9 B5R0.1 COCC(=N)N O34478 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 COCC(C)Br O32164 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 C[C@@H](N)CCO F-4752 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 C[C@H](N)CC#N Q66038 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 C[C@H](N)CCO F-4570 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 NNCC(F)F L20780 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 O=C(O)CCF A-698 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.1 OCCC(F)F P45589 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 C#CC(C)N P51445 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C#C[C@@H](C)N Q52993 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C#C[C@H](C)O Q52831 [1,0,0,0,0,0|0,1,2]=4 20 B4R0.1 C=C(C)CN P39039 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(=O)CN P45193 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 CC(Br)CO O34000 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(C)NO O30196 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CC(N)CS L19436 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(S)CN L19389 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.1 C[C@@H](Cl)CO 10058 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 C#CCCI P38108 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C#CCCN O34440 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 C#CCNC P38619 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.2 C#COCC P35055 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 C=CCCN L22153 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 CC#CCBr P38739 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CCCNN O30752 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CNCCBr O34465 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|1,1,1]=4 36 B4R0.2 COCCI O28025 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 CSCCBr O31085 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CSCCN P36563 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.1 C#CC(O)CCC P42817 [0,1,0,0,0,0|0,1,1]=3 42 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 CCNC(=O)CN P39222 [0,1,0,0,0,0|1,1,1]=4 47 B6R0.1 CCNC(=O)CO O31312 [0,1,0,0,0,0|1,1,1]=4 48 B6R0.1 CCNC(=O)NC M15284 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.1 CCOC(=N)CCl P38507 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|1,1,1]=4 51 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|1,1,1]=4 52 B6R0.1 CNCC(=O)NC P37691 [0,1,0,0,0,0|1,1,1]=4 53 B6R0.1 CNCC(=O)NC P38046 [0,1,0,0,0,0|1,1,1]=4 54 B6R0.2 CC(=O)NC(C)C P50955 [0,1,0,0,0,0|1,1,1]=4 55 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,1,0,0,0,0|0,1,0]=2 56 B6R0.2 CC(N)CN(C)C P42731 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.2 CC(O)CC(=O)O P38963 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.2 C[C@@H](N)CN(C)C P38236 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,1,0,0,0,0|1,1,1]=4 62 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,1,0,0,0,0|1,1,1]=4 63 B6R0.2 C[C@H](N)CN(C)C P35926 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,1,0,0,0,0|1,1,1]=4 65 B6R0.3 CC(C)C(C)NN P42479 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.3 CC(C)C(O)CN P40479 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.3 CCC(C)C(C)N O31127 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 CCC(N)C(C)O L20519 [0,1,0,0,0,0|0,1,0]=2 70 B6R0.3 CCC(N)C(N)=O P35312 [0,1,0,0,0,0|1,1,1]=4 71 B6R0.3 CC[C@@H](Br)C(=O)O P45858 [0,1,0,0,0,0|1,1,1]=4 72 B6R0.3 CC[C@@H](O)C(=O)O P40022 [0,1,0,0,0,0|1,1,1]=4 73 B6R0.3 CC[C@H](Br)C(=O)O P45751 [0,1,0,0,0,0|1,1,1]=4 74 B6R0.3 CC[C@H](O)C(=O)O P38746 [0,1,0,0,0,0|1,1,1]=4 75 B6R0.3 CNC(=O)C(C)N P38407 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.3 CNC(=O)[C@@H](C)N P37080 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.3 CNC(=O)[C@H](C)N P37082 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 C#CCCC(C)O L18987 [0,1,0,0,0,0|0,1,1]=3 79 B6R0.4 C#CCNC(C)C L20531 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 C#CCOC(C)C O29863 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.4 CC(Br)CCC#N L20214 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.4 CC(C)CCON L20789 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.4 CC(C)NCC#N O29997 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(C)NCC#N O32001 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 CC(C)NCCCl O34399 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.4 CCNCC(=O)O P37534 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.4 CCNCC(N)=O P36580 [0,1,0,0,0,0|1,1,1]=4 88 B6R0.4 CN(C)CCCBr O34500 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.4 CNCCC(=O)O P36779 [0,1,0,0,0,0|1,1,1]=4 90 B6R0.4 CNCCC(=O)O P39205 [0,1,0,0,0,0|1,1,1]=4 91 B6R0.4 CNCCC(C)O P38146 [0,1,0,0,0,0|0,1,0]=2 92 B6R0.4 CNCCC(N)=O P37896 [0,1,0,0,0,0|1,1,1]=4 93 B6R0.5 CC(C)(C)CCN O30845 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.5 CC(C)(C)CNN H-8571 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.5 CC(C)(O)CCBr H-8053 [0,1,0,0,0,0|1,1,0]=3 96 B6R0.5 CC(C)(O)CCN M22892 [0,1,0,0,0,0|1,1,0]=3 97 B6R0.5 CC(C)(O)CNN H-8573 [0,1,0,0,0,0|2,1,0]=4 98 B6R0.5 CCCS(N)(=O)=O O34092 [0,1,0,0,0,0|2,1,0]=4 99 B6R0.5 CNCC(C)(C)C P38864 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.5 CNCC(C)(C)O F-4611 [0,1,0,0,0,0|1,1,0]=3 101 B6R0.5 CNCC(F)(F)F P39145 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.5 COCC(C)(C)N P39356 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.5 CS(=O)(=O)CCBr H-8028 [0,1,0,0,0,0|2,1,0]=4 104 B6R0.5 CS(=O)(=O)CCCl O31078 [0,1,0,0,0,0|2,1,0]=4 105 B6R0.5 CS(=O)(=O)CCN P43261 [0,1,0,0,0,0|2,1,0]=4 106 B6R0.5 FC(F)(F)CCI G-5983 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.5 NCCC(F)(F)F L22292 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.5 OCCC(F)(F)F P39569 [0,1,0,0,0,0|3,0,0]=4 109 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 CC1CCCN1 Q61737 [0,0,0,1,0,0|1,0,0]=2 111 B6R1.2 CC1CCNC1 M22664 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,1,0,0|1,0,0]=2 113 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.2 ClC1CCNC1 P42791 [0,0,0,1,0,0|2,0,0]=3 116 B6R1.2 FC1CCNC1 A-349 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.2 FC1CCNC1 C-2208 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 FC1CCNC1 P51370 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 IC1CCCC1 I-9679 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,1,0,0|1,0,2]=4 127 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,1,0,0|1,0,2]=4 128 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 NN1CCCC1 M23462 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,1,0,0|1,1,1]=4 136 B6R1.2 O=C1CCNC1 S72535 [0,0,0,1,0,0|1,1,1]=4 137 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,1,0,0|1,1,1]=4 138 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|1,1,1]=4 139 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,1,0,0|0,1,2]=4 140 B6R1.2 OC1CCNC1 G-5959 [0,0,0,1,0,0|1,1,0]=3 141 B6R1.2 OC1CCNC1 I-9548 [0,0,0,1,0,0|1,1,0]=3 142 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|1,1,0]=3 143 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|1,1,0]=3 144 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|1,1,0]=3 145 B6R1.3 BrCCC1CC1 O33551 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,0,1,0,0|1,1,0]=3 147 B6R1.3 CCNC1CC1 P36705 [0,0,0,1,0,0|2,0,0]=3 148 B6R1.3 CNCC1CC1 L13551 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.3 ICCC1CC1 I-9916 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.3 N#CCC1CC1 O33326 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.3 NCCC1CC1 G-5988 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.3 NCCN1CC1 P45652 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.3 NNCC1CC1 H-8575 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.3 NNCC1CC1 I-9542 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.3 NNCC1CC1 K12084 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.3 NNCC1CC1 L13728 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.3 OCCC1CC1 G-5984 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.5 C=C1CC(N)C1 P48610 [0,0,0,1,0,0|1,0,2]=4 159 B6R1.5 C=C1CC(O)C1 P45320 [0,0,0,1,0,0|0,1,2]=4 160 B6R1.5 CC1CC(=O)C1 L18001 [0,0,0,1,0,0|0,1,1]=3 161 B6R1.5 CC1CC(C)N1 P47027 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.5 CC1CC(C)N1 P48835 [0,0,0,1,0,0|1,0,0]=2 163 B6R1.5 CC1CC(N)C1 P44935 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.5 CC1CC(N)C1 P44936 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.5 CC1CC(O)C1 P44316 [0,0,0,1,0,0|0,1,0]=2 166 B6R1.5 CN1CC(=O)C1 L18430 [0,0,0,1,0,0|1,1,1]=4 167 B6R1.5 CN1CC(=O)C1 P49738 [0,0,0,1,0,0|1,1,1]=4 168 B6R1.5 CN1CC(Cl)C1 P45381 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.5 CN1CC(Cl)C1 Q56193 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.5 CN1CC(N)C1 C-2453 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.5 CN1CC(N)C1 O28765 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.5 CN1CC(O)C1 C-2454 [0,0,0,1,0,0|1,1,0]=3 173 B6R1.5 CN1CC(O)C1 C-2454-1 [0,0,0,1,0,0|1,1,0]=3 174 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [0,0,0,1,0,0|1,0,0]=2 176 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,0,0,1,0,0|0,1,0]=2 179 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [0,0,0,1,0,0|1,0,0]=2 180 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,0,0,1,0,0|1,0,0]=2 181 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,0,0,1,0,0|0,1,0]=2 183 B6R1.5 NC1CC(=O)C1 C-3677 [0,0,0,1,0,0|1,1,1]=4 184 B6R1.5 NC1CC(=O)C1 P44186 [0,0,0,1,0,0|1,1,1]=4 185 B6R1.5 NC1CC(F)C1 C-3436 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.5 NC1CC(F)C1 C-3436-1 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.5 NC1CC(N)C1 G-7909 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.5 NC1CC(N)C1 P48839 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.5 NC1CC(O)C1 C-3623 [0,0,0,1,0,0|1,1,0]=3 190 B6R1.5 NC1CC(O)C1 L13650 [0,0,0,1,0,0|1,1,0]=3 191 B6R1.5 NN1CC(O)C1 L18024 [0,0,0,1,0,0|2,1,0]=4 192 B6R1.5 NN1CC(O)C1 P44948 [0,0,0,1,0,0|2,1,0]=4 193 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [0,0,0,1,0,0|2,0,0]=3 197 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [0,0,0,1,0,0|2,0,0]=3 198 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [0,0,0,1,0,0|1,1,0]=3 199 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [0,0,0,1,0,0|1,1,0]=3 200 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [0,0,0,1,0,0|2,0,0]=3 201 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [0,0,0,1,0,0|2,0,0]=3 202 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [0,0,0,1,0,0|1,1,0]=3 205 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [0,0,0,1,0,0|1,1,0]=3 206 B6R1.5 O=C1CC(Br)C1 G-6311 [0,0,0,1,0,0|1,1,1]=4 207 B6R1.5 O=C1CC(F)C1 H-8760 [0,0,0,1,0,0|1,1,1]=4 208 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,1,0,0|1,1,1]=4 209 B6R1.5 OC1CC(F)C1 I-9823 [0,0,0,1,0,0|1,1,0]=3 210 B6R1.5 OC1CC(O)C1 P45378 [0,0,0,1,0,0|1,1,0]=3 211 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [0,0,0,1,0,0|1,1,0]=3 212 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [0,0,0,1,0,0|1,1,0]=3 213 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [0,0,0,1,0,0|1,1,0]=3 214 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [0,0,0,1,0,0|1,1,0]=3 215 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.9 CC1(C)CC1Br O33124 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.9 FC1(F)CC1Br L14733 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.9 NC1CC1(F)F L14110 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.10 CC1(Br)CCC1 P45156 [0,0,0,1,0,0|1,0,0]=2 220 B6R1.10 CC1(C)CCN1 P49830 [0,0,0,1,0,0|2,0,0]=3 221 B6R1.10 CC1(C)CCN1 P49838 [0,0,0,1,0,0|2,0,0]=3 222 B6R1.10 CC1(C)CNC1 G-7241 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.10 CC1(C)CNC1 P46487 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.10 CC1(Cl)CNC1 P45910 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.10 CC1(F)CNC1 G-7993 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.10 CC1(F)CNC1 P48538 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.10 CC1(I)CCC1 P44701 [0,0,0,1,0,0|1,0,0]=2 228 B6R1.10 CC1(I)COC1 Q55935 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.10 CC1(N)CCC1 L13595 [0,0,0,1,0,0|1,0,0]=2 230 B6R1.10 CC1(N)CCC1 P45646 [0,0,0,1,0,0|1,0,0]=2 231 B6R1.10 CC1(N)CNC1 C-3560 [0,0,0,1,0,0|2,0,0]=3 232 B6R1.10 CC1(N)CNC1 P48044 [0,0,0,1,0,0|2,0,0]=3 233 B6R1.10 CC1(N)COC1 C-2450 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.10 CC1(N)COC1 C-2981 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.10 CC1(N)CSC1 L14368 [0,0,0,1,0,0|2,0,0]=3 236 B6R1.10 CC1(N)CSC1 Q55807 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.10 CC1(O)CCC1 P39996 [0,0,0,1,0,0|0,1,0]=2 238 B6R1.10 CC1(O)CNC1 D-2563 [0,0,0,1,0,0|1,1,0]=3 239 B6R1.10 CC1(O)CNC1 P45881 [0,0,0,1,0,0|1,1,0]=3 240 B6R1.10 CC1(O)COC1 G-6552 [0,0,0,1,0,0|1,1,0]=3 241 B6R1.10 CC1(O)CSC1 L14102 [0,0,0,1,0,0|1,1,0]=3 242 B6R1.10 FC1(F)CNC1 D-2508 [0,0,0,1,0,0|3,0,0]=4 243 B6R1.10 FC1(F)COC1 O34140 [0,0,0,1,0,0|3,0,0]=4 244 B6R1.11 CC(N)C1CC1 A-640 [0,0,0,1,0,0|1,0,0]=2 245 B6R1.11 CC(N)C1CC1 A-640-HCL [0,0,0,1,0,0|1,0,0]=2 246 B6R1.11 C[C@@H](N)C1CC1 P46530 [0,0,0,1,0,0|1,0,0]=2 247 B6R1.11 C[C@H](N)C1CC1 L14639 [0,0,0,1,0,0|1,0,0]=2 248 B6R1.11 C[C@H](O)C1CC1 K13410 [0,0,0,1,0,0|0,1,0]=2 249 B3R0.1 CCNN H-8579 [2,0,0,0,0,0|2,0,0]=4 250 B3R0.1 CCNN O31940 [2,0,0,0,0,0|2,0,0]=4 251 B3R0.2 C[PH](C)=O O30537 [2,0,0,0,0,0|1,1,0]=4 252 B5R0.3 C#CC(O)CC P38163 [1,1,0,0,0,0|0,1,1]=4 253 B5R0.3 CC(CBr)CBr O34172 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.3 CC(CN)CO O30604 [1,1,0,0,0,0|1,1,0]=4 255 B5R0.3 CCC(C)NN O30637 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.3 CNC(C)CO M23268 [1,1,0,0,0,0|1,1,0]=4 257 B5R0.3 CN[C@@H](C)CO P38191 [1,1,0,0,0,0|1,1,0]=4 258 B5R0.3 CN[C@H](C)CO P41018 [1,1,0,0,0,0|1,1,0]=4 259 B5R0.3 COC(C)CN P36510 [1,1,0,0,0,0|1,1,0]=4 260 B5R0.3 NCC(O)CF M23924 [1,1,0,0,0,0|1,1,0]=4 261 B5R0.3 NC[C@@H](F)CO L22313 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.3 NC[C@@H](O)CCl Q69638 [1,1,0,0,0,0|1,1,0]=4 263 B5R0.3 NC[C@H](F)CO O33576 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.4 CC(C)(C)CBr P36951 [1,1,0,0,0,0|2,0,0]=4 265 B5R0.4 CC(C)(F)CO P45778 [1,1,0,0,0,0|2,0,0]=4 266 B5R0.4 CC(C)(O)CN G-7049 [1,1,0,0,0,0|1,1,0]=4 267 B5R0.4 CC(F)(F)CN M15293 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.5 CC(N)C(C)O P38125 [1,1,0,0,0,0|0,1,0]=3 269 B5R0.5 CC(N)C(F)F H-8439 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.5 CC(N)C(F)F H-8440 [1,1,0,0,0,0|2,0,0]=4 271 B5R0.2 C#CCCCI P39399 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.2 C#CCCCO P37563 [1,1,0,0,0,0|0,0,2]=4 273 B5R0.2 C#CCCNC L20446 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.2 C#CCNCC P37598 [1,1,0,0,0,0|0,0,2]=4 275 B5R0.2 C#CCOCC O29883 [1,1,0,0,0,0|0,0,2]=4 276 B5R0.2 CCNCCCl L21040 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.2 CNCCSC M23087 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.2 CSCCCN P39434 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.2 NCCCCS L19142 [1,1,0,0,0,0|0,0,0]=2 280 B7R0.2 CCC(=O)CC(C)=O O31794 [0,2,0,0,0,0|0,1,1]=4 281 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.2 COC(=O)CC(C)N P41489 [0,2,0,0,0,0|0,1,1]=4 283 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,2,0,0,0,0|0,1,1]=4 284 B7R0.3 CCCC[C@@H](N)CO P35979 [0,2,0,0,0,0|1,0,0]=3 285 B7R0.3 CCCC[C@H](N)CO P35978 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.3 CCCNC(=O)CN P36648 [0,2,0,0,0,0|0,1,1]=4 287 B7R0.3 CCOCC(O)CN L19068 [0,2,0,0,0,0|0,1,0]=3 288 B7R0.3 CNC(=O)CCCN P40550 [0,2,0,0,0,0|0,1,1]=4 289 B7R0.3 CNCCC(=O)NC P37767 [0,2,0,0,0,0|0,1,1]=4 290 B7R0.3 CNCCC(=O)OC P36826 [0,2,0,0,0,0|0,1,1]=4 291 B7R0.3 CSCCC(N)CO P37819 [0,2,0,0,0,0|1,0,0]=3 292 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.5 CCCC(C)C(C)N L19280 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,2,0,0,0,0|0,1,1]=4 295 B7R0.5 CCNC(C)C(=O)O P36832 [0,2,0,0,0,0|1,1,0]=4 296 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,2,0,0,0,0|1,1,0]=4 297 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,2,0,0,0,0|1,1,0]=4 298 B7R0.7 CCCN(C)CCO Q66069 [0,2,0,0,0,0|1,1,0]=4 299 B7R0.7 COCC(C)N=C=O L20863 [0,2,0,0,0,0|1,1,0]=4 300 B7R0.11 CNCC(C)(C)CO P40852 [0,2,0,0,0,0|1,1,0]=4 301 B7R0.11 COCC(C)(C)CN P36170 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.11 COCC(C)(C)CO O31179 [0,2,0,0,0,0|1,1,0]=4 303 B7R0.11 CSCC(C)(N)C#N L20411 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.14 CC(C)(C)C(N)CO P38365 [0,2,0,0,0,0|2,0,0]=4 305 B7R0.14 CC(C)(C)[C@@H](N)CO H-8828 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.14 CC(C)(C)[C@H](N)CO P42613 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.14 CC(C)(O)[C@@H](F)CN P50799 [0,2,0,0,0,0|1,1,0]=4 308 B7R0.14 CCC(=O)C(C)(C)C O30499 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.15 CCC(CO)C(C)C K16110 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.4 CC(=O)NCCCN P38199 [0,2,0,0,0,0|0,1,1]=4 311 B7R0.4 CC(C)CNCC#N M22778 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.4 CNCCNC(C)=O P41559 [0,2,0,0,0,0|0,1,1]=4 313 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|0,1,1]=4 314 B7R0.8 CC(C)(N)CCC#N O30915 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.8 CCNCC(F)(F)F P42734 [0,2,0,0,0,0|2,0,0]=4 316 B7R0.8 CNCCC(C)(C)O M22918 [0,2,0,0,0,0|0,1,0]=3 317 B7R0.8 CNCCS(C)(=O)=O P39970 [0,2,0,0,0,0|1,1,0]=4 318 B7R0.8 NCCCC(F)(F)F P35864 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.8 OCCCC(F)(F)F P37989 [0,2,0,0,0,0|2,0,0]=4 320 B5R1.2 BrC1CNC1 D-2507 [1,0,0,1,0,0|2,0,0]=4 321 B5R1.2 BrC1CNC1 P39525 [1,0,0,1,0,0|2,0,0]=4 322 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|2,0,0]=4 323 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|1,0,1]=4 324 B5R1.2 CC1CCN1 M22690 [1,0,0,1,0,0|1,0,0]=3 325 B5R1.2 CC1CCN1 P44577 [1,0,0,1,0,0|1,0,0]=3 326 B5R1.2 CC1CCO1 Q53239 [1,0,0,1,0,0|0,1,0]=3 327 B5R1.2 CC1CNC1 C-2879 [1,0,0,1,0,0|2,0,0]=4 328 B5R1.2 C[C@@H]1CCN1 P45172 [1,0,0,1,0,0|1,0,0]=3 329 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,1,0,0|0,1,0]=3 330 B5R1.2 C[C@H]1CCN1 P44797 [1,0,0,1,0,0|1,0,0]=3 331 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,1,0,0|0,1,0]=3 332 B5R1.2 ClC1CNC1 G-7722 [1,0,0,1,0,0|2,0,0]=4 333 B5R1.2 ClC1COC1 L21610 [1,0,0,1,0,0|2,0,0]=4 334 B5R1.2 FC1CNC1 A-433 [1,0,0,1,0,0|2,0,0]=4 335 B5R1.2 FC1CNC1 P45315 [1,0,0,1,0,0|2,0,0]=4 336 B5R1.2 IC1CCC1 L21363 [1,0,0,1,0,0|1,0,0]=3 337 B5R1.2 IC1CNC1 F-4497 [1,0,0,1,0,0|2,0,0]=4 338 B5R1.2 IC1COC1 C-2449 [1,0,0,1,0,0|2,0,0]=4 339 B5R1.2 NC1CCC1 P45382 [1,0,0,1,0,0|1,0,0]=3 340 B5R1.2 NC1CNC1 L13523 [1,0,0,1,0,0|2,0,0]=4 341 B5R1.2 NC1COC1 C-2472 [1,0,0,1,0,0|2,0,0]=4 342 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|2,0,0]=4 343 B5R1.2 NC1CSC1 G-6637 [1,0,0,1,0,0|2,0,0]=4 344 B5R1.2 NC1CSC1 Q58806 [1,0,0,1,0,0|2,0,0]=4 345 B5R1.2 NC1CSC1 S72763 [1,0,0,1,0,0|2,0,0]=4 346 B5R1.2 OC1CNC1 A-407 [1,0,0,1,0,0|1,1,0]=4 347 B5R1.2 OC1CNC1 O28030 [1,0,0,1,0,0|1,1,0]=4 348 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|1,1,0]=4 349 B5R1.2 OC1CSC1 L21497 [1,0,0,1,0,0|1,1,0]=4 350 B5R1.2 SC1CNC1 G-7240 [1,0,0,1,0,0|1,0,0]=3 351 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|1,0,0]=3 352 B5R1.3 CNC1CC1 G-6453 [1,0,0,1,0,0|2,0,0]=4 353 B5R1.3 ClCC1CS1 H-8564 [1,0,0,1,0,0|1,0,0]=3 354 B5R1.3 ICC1CC1 P38738 [1,0,0,1,0,0|2,0,0]=4 355 B5R1.3 SCC1CC1 F-4776 [1,0,0,1,0,0|2,0,0]=4 356 B5R1.4 NC1CC1F O33119 [1,0,0,1,0,0|2,0,0]=4 357 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [1,0,0,1,0,0|2,0,0]=4 359 B5R1.5 CC1(Br)CC1 L14741 [1,0,0,1,0,0|1,0,0]=3 360 B5R1.5 CC1(N)CC1 F-4521 [1,0,0,1,0,0|1,0,0]=3 361 B5R1.5 CC1(O)CC1 F-4583 [1,0,0,1,0,0|0,1,0]=3 362 B5R1.1 C1CSCO1 P51538 [1,0,0,1,0,0|1,0,0]=3 363 B7R1.1 BrCC1=CCCC1 G-5335 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 C#CC1CCCN1 L14925 [0,1,0,1,0,0|1,0,1]=4 366 B7R1.1 C#CC1CCCN1 Q55558 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.1 C#CC1CCNC1 Q55467 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.1 C#CC1CCNC1 Q55468 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.1 C#CC1CCOC1 G-7177 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.1 C#C[C@@H]1CCCN1 Q55560 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.1 C#C[C@H]1CCCN1 Q55559 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.1 CNC1CCCC1 P36274 [0,1,0,1,0,0|1,0,0]=3 375 B7R1.1 CNC1CCNC1 P41664 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.1 COC1CCNC1 C-2248 [0,1,0,1,0,0|1,1,0]=4 382 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,1,0,0|1,1,0]=4 383 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,1,0,0|1,1,0]=4 384 B7R1.1 CSC1CCNC1 L20011 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 FCC1CCCN1 Q52409 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.1 FCC1CCNC1 L20341 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.1 ICC1CCCC1 P39098 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.1 N#CC1CCCN1 G-6826 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.1 N#CC1CCCN1 Q51936 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.1 N#CC1CCNC1 L13633 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.1 N#CC1CCNC1 M23796 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.1 N#CC1CCOC1 I-9148 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.1 N#C[C@@H]1CCCN1 A-367 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.1 N#C[C@@H]1CCCN1 G-5682 [0,1,0,1,0,0|1,0,1]=4 406 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.1 N#C[C@H]1CCCN1 G-5683 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.1 N#C[C@H]1CCCN1 O28475 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.1 NCC1CCCC1 L14012 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.1 NCC1CCCN1 P37060 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,1,0,0|2,0,0]=4 420 B7R1.1 NC[C@H]1CCCN1 P42386 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.1 NNC1CCCC1 O31761 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.1 NNC1CCNC1 O29712 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,1,0,0|1,1,0]=4 427 B7R1.1 OCC1CCNC1 L13610 [0,1,0,1,0,0|1,1,0]=4 428 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|1,1,0]=4 429 B7R1.1 OCC1OCCO1 O33317 [0,1,0,1,0,0|1,1,0]=4 430 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,1,0,1,0,0|0,1,0]=3 431 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,1,0,0|1,1,0]=4 432 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,1,0,0|1,1,0]=4 433 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|1,1,0]=4 434 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,1,0,0|1,1,0]=4 435 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,1,0,0|1,1,0]=4 436 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|1,1,0]=4 437 B7R1.2 CC1=NC(C)CO1 M15289 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,1,0,0|0,1,0]=3 439 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,1,0,0|0,1,0]=3 440 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.2 CC1CNC(=O)C1 L13710 [0,1,0,1,0,0|0,1,1]=4 442 B7R1.2 CN1CCC(Br)C1 Q53645 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.2 CN1CCC(N)C1 C-2205 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.2 CN1CCC(N)C1 O28463 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.2 CN1CCC(O)C1 C-3294 [0,1,0,1,0,0|0,1,0]=3 446 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,1,0,1,0,0|0,1,0]=3 449 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,1,0,1,0,0|0,1,0]=3 453 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,1,0,1,0,0|0,1,1]=4 457 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,1,0,0|0,1,0]=3 459 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,1,0,0|0,1,0]=3 461 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,1,0,1,0,0|0,1,1]=4 464 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,1,0,0|0,1,0]=3 465 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,1,0,0|0,1,0]=3 466 B7R1.2 NC1CCC(F)C1 Q54470 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.2 NC1CCC(F)C1 Q54471 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.2 NC1CCC(O)C1 G-5810 [0,1,0,1,0,0|0,1,0]=3 469 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,1,0,1,0,0|0,1,0]=3 473 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,1,0,1,0,0|0,1,0]=3 474 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,1,0,1,0,0|0,1,0]=3 475 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,1,0,1,0,0|0,1,0]=3 477 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,1,0,1,0,0|0,1,0]=3 478 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,1,0,1,0,0|0,1,0]=3 482 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,1,0,1,0,0|0,1,0]=3 483 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,1,0,1,0,0|0,1,0]=3 484 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,1,0,1,0,0|0,1,0]=3 486 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,1,0,1,0,0|0,1,0]=3 487 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|0,1,1]=4 488 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|0,1,1]=4 489 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|0,1,1]=4 490 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.2 OC1CCC(F)C1 Q55723 [0,1,0,1,0,0|0,1,0]=3 492 B7R1.2 OC1CCC(O)C1 L14091 [0,1,0,1,0,0|0,1,0]=3 493 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,1,0,1,0,0|0,1,0]=3 494 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,1,0,1,0,0|0,1,0]=3 495 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,1,0,1,0,0|0,1,0]=3 496 B7R1.3 BrC1=CCCCC1 N24288 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.3 BrC1C=CCCC1 P44668 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 C=C1CCCNC1 Q59836 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.3 C=C1CCNCC1 H-8338 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.3 C=C1CCNCC1 Q55164 [0,1,0,1,0,0|1,0,1]=4 505 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,1,0,0|1,0,1]=4 506 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,1,0,0|0,1,0]=3 509 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,1,0,0|0,1,0]=3 510 B7R1.3 CC1COCCN1 B-1060 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.3 CC1COCCN1 O28936 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,1,0,0|0,1,0]=3 515 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,1,0,0|0,1,0]=3 516 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,1,0,0|0,1,0]=3 522 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,1,0,0|0,1,0]=3 523 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,1,0,0|1,0,0]=3 534 B7R1.3 NC1CCSCC1 O33298 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.3 O=C1CCCNC1 A-184 [0,1,0,1,0,0|0,1,1]=4 538 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,1,0,0|0,1,1]=4 539 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,1,0,0|0,1,1]=4 540 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,1,0,0|0,1,1]=4 541 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,1,0,0|0,1,1]=4 542 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,1,0,0|0,1,0]=3 543 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,1,0,0|0,1,0]=3 544 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,1,0,0|0,1,0]=3 545 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,1,0,0|0,1,0]=3 546 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,1,0,0|0,1,0]=3 547 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,1,0,0|0,1,0]=3 548 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,1,0,0|0,1,0]=3 549 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,1,0,0|0,1,0]=3 550 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,1,0,0|0,1,0]=3 551 B7R1.3 SC1CCCNC1 L21541 [0,1,0,1,0,0|0,0,0]=2 552 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,1,0,0|0,0,0]=2 553 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,1,0,0|0,0,0]=2 554 B7R1.4 CC1CCNC1=O O30375 [0,1,0,1,0,0|1,1,0]=4 555 B7R1.4 CC1CCNC1C Q61659 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.4 CC1CNCC1C O33388 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.4 CC1CNCC1F Q54416 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.4 CC1CNCC1O Q59312 [0,1,0,1,0,0|1,1,0]=4 559 B7R1.4 CN1CCCC1=N Q59266 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,1,0,0|1,1,0]=4 563 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,1,0,0|1,1,0]=4 568 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,1,0,0|1,1,0]=4 569 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,1,0,0|1,1,0]=4 570 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,1,0,0|1,1,0]=4 571 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,1,0,0|1,0,0]=3 575 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,1,0,0|1,1,0]=4 577 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.4 FC1CNCC1F Q57411 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.4 NC1CCCC1Cl Q54474 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.4 NC1CCCC1F Q54472 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.4 NC1CCCC1F Q54473 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.4 NC1CCCC1O F-4442 [0,1,0,1,0,0|0,1,0]=3 589 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,1,0,1,0,0|1,0,0]=3 591 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,1,0,1,0,0|0,1,0]=3 592 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,1,0,1,0,0|0,1,0]=3 593 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,1,0,1,0,0|0,1,0]=3 599 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,1,0,1,0,0|0,1,0]=3 600 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,1,0,1,0,0|1,1,0]=4 604 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,1,0,1,0,0|0,1,0]=3 606 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,1,0,1,0,0|0,1,0]=3 607 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,1,0,1,0,0|0,1,0]=3 608 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,1,0,1,0,0|1,0,0]=3 609 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,1,0,1,0,0|0,1,0]=3 613 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,1,0,1,0,0|0,1,0]=3 614 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,1,0,1,0,0|0,1,0]=3 615 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,1,0,1,0,0|1,1,0]=4 618 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,1,0,1,0,0|1,1,0]=4 619 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,1,0,1,0,0|1,1,0]=4 620 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,1,0,1,0,0|1,1,0]=4 621 B7R1.4 O=C1CCCC1O Q61720 [0,1,0,1,0,0|0,1,1]=4 622 B7R1.4 OC1CCCC1F L19027 [0,1,0,1,0,0|0,1,0]=3 623 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,1,0,1,0,0|0,1,0]=3 624 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,1,0,1,0,0|1,1,0]=4 625 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,1,0,1,0,0|1,1,0]=4 626 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,1,0,1,0,0|1,1,0]=4 627 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,1,0,1,0,0|0,1,0]=3 628 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,1,0,1,0,0|1,1,0]=4 629 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,1,0,1,0,0|1,1,0]=4 630 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,1,0,1,0,0|1,1,0]=4 631 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,1,0,1,0,0|1,1,0]=4 632 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,1,0,1,0,0|1,1,0]=4 633 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,1,0,1,0,0|1,1,0]=4 634 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,1,0,1,0,0|1,1,0]=4 635 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,1,0,1,0,0|1,1,0]=4 636 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,1,0,1,0,0|1,1,0]=4 637 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,1,0,1,0,0|1,1,0]=4 638 B7R1.6 BrCCC1CCO1 Q56185 [0,1,0,1,0,0|1,1,0]=4 639 B7R1.6 BrCCC1COC1 Q62635 [0,1,0,1,0,0|1,1,0]=4 640 B7R1.6 CCCC1CNC1 P43152 [0,1,0,1,0,0|1,0,0]=3 641 B7R1.6 CCCC1CNC1 P44924 [0,1,0,1,0,0|1,0,0]=3 642 B7R1.6 CCNC1CCC1 P34707 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.6 CCNC1CCC1 P45089 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.6 CCNC1CNC1 M22745 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.6 CCNC1CNC1 P45767 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.6 CCNC1COC1 G-6617 [0,1,0,1,0,0|1,1,0]=4 647 B7R1.6 CCOC1CNC1 O28975 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.6 CCOC1CNC1 P44497 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.6 CCSC1CNC1 P46826 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.6 CCSC1CNC1 P48713 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.6 CNCC1CCC1 P42057 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.6 CNCC1CCC1 P44415 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.6 CNCC1CCO1 Q55851 [0,1,0,1,0,0|1,1,0]=4 654 B7R1.6 CNCC1CNC1 P43156 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.6 CNCC1CNC1 P44879 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.6 CNCC1COC1 G-7362 [0,1,0,1,0,0|1,1,0]=4 657 B7R1.6 COCC1CCN1 I-9954 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.6 COCC1CCN1 Q56488 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.6 COCC1CCN1 Q56489 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.6 COCC1CNC1 C-2240 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.6 COCC1CNC1 L13685 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.6 COC[C@@H]1CCN1 L13813 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.6 COC[C@H]1CCN1 G-7976 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.6 FCCC1CNC1 P50454 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.6 ICCC1CCO1 Q56184 [0,1,0,1,0,0|1,1,0]=4 667 B7R1.6 ICCC1COC1 Q62634 [0,1,0,1,0,0|1,1,0]=4 668 B7R1.6 NCCC1CCC1 L18182 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.6 NCCC1CCC1 P48448 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.6 NCCC1CCO1 O32973 [0,1,0,1,0,0|1,1,0]=4 671 B7R1.6 NCCC1CNC1 P48388 [0,1,0,1,0,0|2,0,0]=4 672 B7R1.6 NCCC1COC1 P49100 [0,1,0,1,0,0|1,1,0]=4 673 B7R1.6 NCCC1CSC1 Q58816 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,1,0,1,0,0|1,1,0]=4 675 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,1,0,1,0,0|1,1,0]=4 676 B7R1.6 OCCC1CCC1 P34706 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.6 OCCC1CCO1 F-4763 [0,1,0,1,0,0|1,1,0]=4 678 B7R1.6 OCCC1CNC1 L21357 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.6 OCCC1CNC1 P44027 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|1,1,0]=4 681 B7R1.6 OCCC1CSC1 Q58815 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,1,0,1,0,0|1,1,0]=4 683 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,1,0,1,0,0|1,1,0]=4 684 B7R1.8 CC1CCC1CO P48346 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|1,1,0]=4 686 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,1,0,1,0,0|2,0,0]=4 687 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,1,0,1,0,0|2,0,0]=4 688 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,1,0,1,0,0|2,0,0]=4 690 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.8 NCC1CCC1F P47834 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.8 NCC1CCC1F P50566 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.8 OCC1CCC1F P47249 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.8 OCC1CCC1O P50851 [0,1,0,1,0,0|1,1,0]=4 696 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,1,0,1,0,0|1,1,0]=4 697 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,1,0,1,0,0|1,1,0]=4 698 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,1,0,1,0,0|1,1,0]=4 699 B7R1.10 C#CC1CC(F)C1 P47347 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.10 C#CC1CN(C)C1 P46438 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.10 C=C1CC(CBr)C1 P49895 [0,1,0,1,0,0|1,0,1]=4 702 B7R1.10 C=C1CC(CO)C1 P49896 [0,1,0,1,0,0|1,0,1]=4 703 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,1,0,0|0,1,1]=4 704 B7R1.10 CCC1CC(N)C1 P48761 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.10 CCN1CC(N)C1 H-8173 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.10 CCN1CC(N)C1 P46517 [0,1,0,1,0,0|1,0,0]=3 707 B7R1.10 CCN1CC(O)C1 C-2413 [0,1,0,1,0,0|0,1,0]=3 708 B7R1.10 CCN1CC(O)C1 P44328 [0,1,0,1,0,0|0,1,0]=3 709 B7R1.10 CN1CC(CN)C1 I-9961 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.10 CN1CC(CO)C1 L14119 [0,1,0,1,0,0|1,1,0]=4 711 B7R1.10 CN1CC(CO)C1 P45968 [0,1,0,1,0,0|1,1,0]=4 712 B7R1.10 CNC1CC(O)C1 G-5725 [0,1,0,1,0,0|0,1,0]=3 713 B7R1.10 CNC1CC(O)C1 P48534 [0,1,0,1,0,0|0,1,0]=3 714 B7R1.10 CNC1CN(C)C1 G-6504 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,1,0,1,0,0|0,1,0]=3 716 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,1,0,1,0,0|0,1,0]=3 717 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,1,0,1,0,0|0,1,0]=3 718 B7R1.10 COC1CC(=O)C1 F-4668 [0,1,0,1,0,0|0,1,1]=4 719 B7R1.10 COC1CC(Br)C1 P47967 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.10 COC1CC(N)C1 C-3383 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.10 COC1CC(N)C1 G-5007 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.10 COC1CC(O)C1 P48191 [0,1,0,1,0,0|0,1,0]=3 723 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,1,0,1,0,0|0,1,0]=3 726 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,1,0,1,0,0|0,1,0]=3 730 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,1,0,1,0,0|1,0,0]=3 731 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.10 N#CC1CC(Cl)C1 P46430 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.10 N#CC1CC(F)C1 L21384 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.10 N#CC1CC(N)C1 G-6943 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.10 N#CC1CC(O)C1 L13803 [0,1,0,1,0,0|0,1,1]=4 736 B7R1.10 N#C[C@H]1C[C@@H](N)C1 L21346 [0,1,0,1,0,0|1,0,1]=4 737 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P47440 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.10 N#C[C@H]1C[C@@H](O)C1 P44973 [0,1,0,1,0,0|0,1,1]=4 739 B7R1.10 N#C[C@H]1C[C@H](N)C1 P47570 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.10 N#C[C@H]1C[C@H](N)C1 P49402 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.10 N#C[C@H]1C[C@H](O)C1 P44972 [0,1,0,1,0,0|0,1,1]=4 742 B7R1.10 NC1CC(CO)C1 C-3529 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.10 NC1CC(CO)C1 P44453 [0,1,0,1,0,0|1,0,0]=3 744 B7R1.10 NCC1CC(=O)C1 C-2921 [0,1,0,1,0,0|0,1,1]=4 745 B7R1.10 NCC1CC(F)C1 G-6332 [0,1,0,1,0,0|1,0,0]=3 746 B7R1.10 NCC1CC(O)C1 G-5291 [0,1,0,1,0,0|0,1,0]=3 747 B7R1.10 NCC1CC(O)C1 P47397 [0,1,0,1,0,0|0,1,0]=3 748 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,1,0,1,0,0|0,1,0]=3 750 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,1,0,1,0,0|0,1,0]=3 751 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,1,0,1,0,0|1,0,0]=3 752 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,1,0,1,0,0|0,1,0]=3 753 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,1,0,1,0,0|0,1,0]=3 754 B7R1.10 NN[C@H]1C[C@@H](F)C1 P50331 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.10 NN[C@H]1C[C@@H](O)C1 P50573 [0,1,0,1,0,0|1,1,0]=4 756 B7R1.10 NN[C@H]1C[C@H](F)C1 P50327 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.10 NN[C@H]1C[C@H](O)C1 P50572 [0,1,0,1,0,0|1,1,0]=4 758 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,1,0,1,0,0|1,0,0]=3 759 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,1,0,1,0,0|1,0,0]=3 760 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,1,0,1,0,0|1,0,0]=3 761 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,1,0,1,0,0|0,1,1]=4 764 B7R1.10 O=C1CC(CCl)C1 L13121 [0,1,0,1,0,0|0,1,1]=4 765 B7R1.10 O=C1CC(CF)C1 P44872 [0,1,0,1,0,0|0,1,1]=4 766 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,1,0,0|0,1,1]=4 767 B7R1.10 O=CC1CC(F)C1 P47244 [0,1,0,1,0,0|1,0,1]=4 768 B7R1.10 OC1CC(CBr)C1 P47356 [0,1,0,1,0,0|0,1,0]=3 769 B7R1.10 OC1CC(CF)C1 P47254 [0,1,0,1,0,0|0,1,0]=3 770 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.10 OCC1CC(F)C1 O33399 [0,1,0,1,0,0|1,0,0]=3 772 B7R1.10 OCC1CC(O)C1 P49195 [0,1,0,1,0,0|0,1,0]=3 773 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,1,0,1,0,0|0,1,0]=3 774 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,1,0,1,0,0|0,1,0]=3 775 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,1,0,1,0,0|0,1,0]=3 776 B7R1.21 CC1(CCO)CC1 L14283 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.21 OCCC1(O)CC1 O33441 [0,1,0,1,0,0|1,1,0]=4 778 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|0,1,1]=4 779 B7R1.22 CCC(N)C1CC1 L14734 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.22 CCC(O)C1CC1 L14172 [0,1,0,1,0,0|0,1,0]=3 781 B7R1.22 CNC(C)C1CC1 P42683 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.22 NC(CO)C1CC1 P36106 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.22 NCC(O)C1CC1 P37544 [0,1,0,1,0,0|0,1,0]=3 784 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,1,0,1,0,0|1,0,0]=3 785 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,1,0,1,0,0|1,0,0]=3 786 B7R1.25 C#CC1(C)CNC1 P50166 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.25 C#CC1(C)COC1 G-7133 [0,1,0,1,0,0|2,0,0]=4 788 B7R1.25 C#CC1(N)CCC1 P44812 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.25 C#CC1(N)CCC1 P48957 [0,1,0,1,0,0|1,0,1]=4 790 B7R1.25 C(=O)C1(C)COC1 C-2826 [0,1,0,1,0,0|1,1,0]=4 791 B7R1.25 CC1(C#N)CNC1 G-5668 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.25 CC1(C#N)CNC1 P44787 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.25 CC1(C#N)COC1 G-7442 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.25 CC1(C=O)CCC1 P45357 [0,1,0,1,0,0|0,1,0]=3 795 B7R1.25 CC1(CBr)CCC1 P44691 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.25 CC1(CBr)CCO1 Q54729 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.25 CC1(CBr)CNC1 P50067 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.25 CC1(CBr)COC1 C-3487 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.25 CC1(CCl)CCC1 P45668 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.25 CC1(CF)CCN1 P47255 [0,1,0,1,0,0|2,0,0]=4 801 B7R1.25 CC1(CF)CNC1 P47232 [0,1,0,1,0,0|2,0,0]=4 802 B7R1.25 CC1(CF)CNC1 P50193 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.25 CC1(CI)CCO1 Q55856 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.25 CC1(CI)COC1 G-5286 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.25 CC1(CN)CCC1 G-6314 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.25 CC1(CN)CCC1 P44811 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.25 CC1(CN)CCO1 Q55436 [0,1,0,1,0,0|2,0,0]=4 808 B7R1.25 CC1(CN)CNC1 G-5893 [0,1,0,1,0,0|2,0,0]=4 809 B7R1.25 CC1(CN)COC1 C-2245 [0,1,0,1,0,0|2,0,0]=4 810 B7R1.25 CC1(CO)CCC1 P38399 [0,1,0,1,0,0|0,1,0]=3 811 B7R1.25 CC1(CO)CCN1 P48829 [0,1,0,1,0,0|1,1,0]=4 812 B7R1.25 CC1(CO)CCN1 P50194 [0,1,0,1,0,0|1,1,0]=4 813 B7R1.25 CC1(CO)CCN1 P50195 [0,1,0,1,0,0|1,1,0]=4 814 B7R1.25 CC1(CO)CCO1 Q62788 [0,1,0,1,0,0|1,1,0]=4 815 B7R1.25 CC1(CO)CNC1 L21441 [0,1,0,1,0,0|1,1,0]=4 816 B7R1.25 CC1(CO)CNC1 P48076 [0,1,0,1,0,0|1,1,0]=4 817 B7R1.25 CC1(CS)COC1 Q51971 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.25 CCC1(C)CNC1 P47022 [0,1,0,1,0,0|2,0,0]=4 819 B7R1.25 CCC1(C)CNC1 P47941 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.25 CCC1(N)CCC1 P45271 [0,1,0,1,0,0|1,0,0]=3 821 B7R1.25 CCC1(N)CCC1 P45837 [0,1,0,1,0,0|1,0,0]=3 822 B7R1.25 CCC1(N)CNC1 O33281 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.25 CCC1(N)CNC1 P43157 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.25 CCC1(N)CNC1 P45038 [0,1,0,1,0,0|2,0,0]=4 825 B7R1.25 CCC1(N)COC1 G-5819 [0,1,0,1,0,0|2,0,0]=4 826 B7R1.25 CCC1(O)CNC1 D-2504 [0,1,0,1,0,0|1,1,0]=4 827 B7R1.25 CCC1(O)CNC1 P48641 [0,1,0,1,0,0|1,1,0]=4 828 B7R1.25 CNC1(C)CNC1 P43151 [0,1,0,1,0,0|2,0,0]=4 829 B7R1.25 CNC1(C)CNC1 P48000 [0,1,0,1,0,0|2,0,0]=4 830 B7R1.25 CNC1(C)COC1 L21548 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.25 COC1(C)CNC1 D-2562 [0,1,0,1,0,0|1,1,0]=4 832 B7R1.25 COC1(C)CNC1 P44994 [0,1,0,1,0,0|1,1,0]=4 833 B7R1.25 FC1(CBr)CCC1 P48063 [0,1,0,1,0,0|1,0,0]=3 834 B7R1.25 FC1(CBr)CNC1 P50068 [0,1,0,1,0,0|2,0,0]=4 835 B7R1.25 FC1(CBr)COC1 G-6300 [0,1,0,1,0,0|2,0,0]=4 836 B7R1.25 FC1(CI)COC1 G-7918 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.25 FCC1(F)CNC1 O33196 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.25 FCC1(F)CNC1 P48057 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.25 N#CC1(N)CCC1 F-4569 [0,1,0,1,0,0|1,0,1]=4 840 B7R1.25 N#CC1(N)CCC1 P35846 [0,1,0,1,0,0|1,0,1]=4 841 B7R1.25 N#CC1(O)CCC1 P45474 [0,1,0,1,0,0|0,1,1]=4 842 B7R1.25 NC1(CF)CCC1 P48954 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.25 NC1(CF)CCC1 P48955 [0,1,0,1,0,0|1,0,0]=3 844 B7R1.25 NC1(CF)COC1 O33368 [0,1,0,1,0,0|2,0,0]=4 845 B7R1.25 NC1(CF)COC1 Q64300 [0,1,0,1,0,0|2,0,0]=4 846 B7R1.25 NC1(CF)COC1 Q64301 [0,1,0,1,0,0|2,0,0]=4 847 B7R1.25 NC1(CO)CCC1 L13691 [0,1,0,1,0,0|1,0,0]=3 848 B7R1.25 NC1(CO)CCC1 P47084 [0,1,0,1,0,0|1,0,0]=3 849 B7R1.25 NC1(CO)COC1 G-5980 [0,1,0,1,0,0|2,0,0]=4 850 B7R1.25 NCC1(F)CCC1 L14376 [0,1,0,1,0,0|1,0,0]=3 851 B7R1.25 NCC1(F)CNC1 P46507 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.25 NCC1(F)COC1 G-6299 [0,1,0,1,0,0|2,0,0]=4 853 B7R1.25 NCC1(N)CCC1 P45183 [0,1,0,1,0,0|1,0,0]=3 854 B7R1.25 NCC1(N)CCC1 P45615 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.25 NCC1(N)COC1 G-6639 [0,1,0,1,0,0|2,0,0]=4 856 B7R1.25 NCC1(O)CCC1 L14902 [0,1,0,1,0,0|0,1,0]=3 857 B7R1.25 NCC1(O)COC1 G-6435 [0,1,0,1,0,0|1,1,0]=4 858 B7R1.25 OC1(CF)CNC1 P50832 [0,1,0,1,0,0|1,1,0]=4 859 B7R1.25 OC1(CF)COC1 Q55859 [0,1,0,1,0,0|1,1,0]=4 860 B7R1.25 OCC1(F)CCC1 P48894 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.25 OCC1(F)CNC1 G-7354 [0,1,0,1,0,0|2,0,0]=4 862 B7R1.25 OCC1(F)CNC1 P47031 [0,1,0,1,0,0|2,0,0]=4 863 B7R1.25 OCC1(F)COC1 G-6298 [0,1,0,1,0,0|2,0,0]=4 864 B7R1.25 OCC1(O)CNC1 L14410 [0,1,0,1,0,0|1,1,0]=4 865 B7R1.25 OCC1(O)CNC1 P44803 [0,1,0,1,0,0|1,1,0]=4 866 B7R1.25 OCC1(O)CNC1 P44804 [0,1,0,1,0,0|1,1,0]=4 867 B7R1.25 OCC1(O)COC1 L13940 [0,1,0,1,0,0|1,1,0]=4 868 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,1,0,1,0,0|0,1,1]=4 869 B7R1.16 CC1(C)CC(Br)C1 P45628 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.16 CC1(C)CC(N)C1 L21546 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.16 CC1(C)CC(N)C1 P44151 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.16 CC1(C)CC(O)C1 L21464 [0,1,0,1,0,0|0,1,0]=3 873 B7R1.16 CC1(F)CC(N)C1 L13396 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.16 CC1(F)CC(N)C1 P48242 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,1,0,1,0,0|0,1,1]=4 876 B7R1.16 CC1(N)CC(F)C1 P47217 [0,1,0,1,0,0|1,0,0]=3 877 B7R1.16 CC1(N)CC(O)C1 G-7345 [0,1,0,1,0,0|0,1,0]=3 878 B7R1.16 CC1(O)CC(N)C1 P46958 [0,1,0,1,0,0|0,1,0]=3 879 B7R1.16 CC1(O)CC(N)C1 P47986 [0,1,0,1,0,0|0,1,0]=3 880 B7R1.16 CC1CC(C)(C)N1 P45491 [0,1,0,1,0,0|1,0,0]=3 881 B7R1.16 CC1CC(C)(C)N1 P49429 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.16 CN1CC(C)(N)C1 P47105 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.16 CN1CC(C)(N)C1 P48008 [0,1,0,1,0,0|2,0,0]=4 884 B7R1.16 C[C@]1(F)C[C@@H](N)C1 P46979 [0,1,0,1,0,0|1,0,0]=3 885 B7R1.16 C[C@]1(F)C[C@H](N)C1 P46980 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.16 C[C@]1(N)C[C@@H](N)C1 P50500 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.16 C[C@]1(N)C[C@H](O)C1 G-7346 [0,1,0,1,0,0|0,1,0]=3 888 B7R1.16 C[C@]1(N)C[C@H](O)C1 G-7347 [0,1,0,1,0,0|0,1,0]=3 889 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305 [0,1,0,1,0,0|0,1,0]=3 890 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305-01 [0,1,0,1,0,0|0,1,0]=3 891 B7R1.16 C[C@]1(O)C[C@H](N)C1 G-6304 [0,1,0,1,0,0|0,1,0]=3 892 B7R1.16 C[C@]1(O)C[C@H](N)C1 P43966 [0,1,0,1,0,0|0,1,0]=3 893 B7R1.16 FC1(F)CC(Br)C1 G-6520 [0,1,0,1,0,0|2,0,0]=4 894 B7R1.16 NC1CC(F)(F)C1 C-2314 [0,1,0,1,0,0|2,0,0]=4 895 B7R1.16 NC1CC(F)(F)C1 P44360 [0,1,0,1,0,0|2,0,0]=4 896 B7R1.16 OC1CC(F)(F)C1 G-6518 [0,1,0,1,0,0|1,1,0]=4 897 B7R1.20 CC(C)NC1CC1 M23094 [0,1,0,1,0,0|1,0,0]=3 898 B7R1.20 CC(O)CC1CC1 O29763 [0,1,0,1,0,0|0,1,0]=3 899 B7R1.32 CC1(N)CC1(F)F Q69950 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.17 CC1(C)CCC1O O32944 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.17 CC1(C)NCC1N P44080 [0,1,0,1,0,0|2,0,0]=4 903 B7R1.17 CC1(C)NCC1N P48748 [0,1,0,1,0,0|2,0,0]=4 904 B7R1.17 CC1(C)NCC1O K13397 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.17 CC1(C)NCC1O P47335 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.17 CC1(C)OCC1Br Q52792 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.17 CC1(C)OCC1I Q52793 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.17 CC1(C)OCC1N Q52791 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.17 CC1(C)OCC1O Q52790 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.17 CC1(C)SCC1N Q58807 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.17 CC1(C)SCC1N Q58808 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.17 CC1NCC1(F)F P47446 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.17 C[C@@H]1NCC1(F)F P50108 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.17 C[C@H]1NCC1(F)F P50083 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.17 NC1CCC1(F)F F-4874 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.17 NC1CCC1(F)F P49059 [0,1,0,1,0,0|2,0,0]=4 918 B7R1.17 OC1CCC1(F)F P46292 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.18 CC(=O)C1CCC1 Q54751 [0,1,0,1,0,0|0,1,1]=4 920 B7R1.18 CC(=O)C1CNC1 P44065 [0,1,0,1,0,0|0,1,1]=4 921 B7R1.18 CC(=O)C1CNC1 P48871 [0,1,0,1,0,0|0,1,1]=4 922 B7R1.18 CC(=O)C1CNC1 P48872 [0,1,0,1,0,0|0,1,1]=4 923 B7R1.18 CC(=O)C1COC1 Q56096 [0,1,0,1,0,0|0,1,1]=4 924 B7R1.18 CC(=O)N1CCC1 P45596 [0,1,0,1,0,0|0,1,1]=4 925 B7R1.18 CC(C)C1CCN1 P45191 [0,1,0,1,0,0|1,0,0]=3 926 B7R1.18 CC(C)C1CCN1 P48185 [0,1,0,1,0,0|1,0,0]=3 927 B7R1.18 CC(C)C1CNC1 P48267 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.18 CC(C)C1CNC1 P48289 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.18 CC(F)C1CNC1 P47135 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.18 CC(N)C1CCC1 L22474 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.18 CC(N)C1CCC1 P45412 [0,1,0,1,0,0|1,0,0]=3 932 B7R1.18 CC(N)C1COC1 L21399 [0,1,0,1,0,0|1,0,0]=3 933 B7R1.18 CC(N)C1COC1 Q52428 [0,1,0,1,0,0|1,0,0]=3 934 B7R1.18 CC(O)C1CCC1 P45236 [0,1,0,1,0,0|0,1,0]=3 935 B7R1.18 CC(O)C1CNC1 L18023 [0,1,0,1,0,0|0,1,0]=3 936 B7R1.18 CC(O)C1CNC1 P43762 [0,1,0,1,0,0|0,1,0]=3 937 B7R1.18 CC(O)C1COC1 P47968 [0,1,0,1,0,0|0,1,0]=3 938 B7R1.18 CN(C)C1CNC1 C-3408 [0,1,0,1,0,0|2,0,0]=4 939 B7R1.18 CN(C)C1CNC1 L21694 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.18 CN(C)C1CNC1 P48476 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.18 CS(=O)C1CNC1 P40256 [0,1,0,1,0,0|1,1,0]=4 942 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,1,0,1,0,0|0,1,0]=3 945 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,1,0,1,0,0|1,0,0]=3 946 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,1,0,1,0,0|0,1,0]=3 947 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,1,0,1,0,0|0,1,0]=3 948 B7R1.18 FC(F)C1CCN1 P46960 [0,1,0,1,0,0|2,0,0]=4 949 B7R1.18 FC(F)C1CCN1 P47149 [0,1,0,1,0,0|2,0,0]=4 950 B7R1.18 FC(F)C1CNC1 F-4831 [0,1,0,1,0,0|2,0,0]=4 951 B7R1.18 FC(F)C1CNC1 P49063 [0,1,0,1,0,0|2,0,0]=4 952 B7R1.18 FC(F)[C@@H]1CCN1 P50374 [0,1,0,1,0,0|2,0,0]=4 953 B7R1.18 FC(F)[C@H]1CCN1 P50373 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.19 CC(C)C1(O)CC1 L22368 [0,1,0,1,0,0|1,0,0]=3 955 B7R1.23 CC1(C)CC1CO P35038 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.23 OCC1CC1(F)F P45542 [0,1,0,1,0,0|2,0,0]=4 957 B7R1.23 OC[C@@H]1CC1(F)F Q64118 [0,1,0,1,0,0|2,0,0]=4 958 B7R1.7 CCCNC1CC1 P36383 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.7 CCCNC1CC1 P41552 [0,1,0,1,0,0|1,0,0]=3 960 B7R1.7 CNCCC1CC1 P40835 [0,1,0,1,0,0|1,0,0]=3 961 B7R1.7 NCCNC1CC1 O30035 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.7 OCCNC1CC1 P38598 [0,1,0,1,0,0|2,0,0]=4 963 B7R1.14 CC1(C)CCCN1 A-592 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.14 CC1(C)CCCN1 Q51927 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,1,0,0|1,0,0]=3 966 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,1,0,0|1,0,0]=3 967 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,1,0,0|1,0,0]=3 969 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,1,0,0|1,0,0]=3 970 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,1,0,0|1,0,0]=3 971 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,1,0,0|1,0,0]=3 973 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,1,0,0|0,1,0]=3 974 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,1,0,0|0,1,0]=3 975 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,1,0,0|1,0,0]=3 977 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,1,0,0|0,1,0]=3 978 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,1,0,0|0,1,0]=3 979 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,1,0,0|1,0,0]=3 980 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,1,0,0|0,1,0]=3 982 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,1,0,0|0,1,0]=3 983 B7R1.14 FC1(F)CCNC1 C-2209 [0,1,0,1,0,0|2,0,0]=4 984 B7R1.26 CC(C)(N)C1CC1 O30329 [0,1,0,1,0,0|1,0,0]=3 985 B7R1.26 CC(C)(O)C1CC1 P43176 [0,1,0,1,0,0|0,1,0]=3 986 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,2,0,0|1,0,0]=3 987 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,2,0,0|1,0,0]=3 988 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,2,0,0|1,0,0]=3 989 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,2,0,0|1,0,0]=3 990 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,2,0,0|1,0,0]=3 991 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,2,0,0|1,0,0]=3 992 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,2,0,0|1,0,0]=3 993 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,2,0,0|2,0,0]=4 994 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,2,0,0|2,0,0]=4 995 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,2,0,0|1,1,0]=4 996 B7R2.3 BrC1CC12CC2 Q52700 [0,0,0,2,0,0|1,0,0]=3 997 B7R2.16 C1CC12CNC2 L18227 [0,0,0,2,0,0|2,0,0]=4 998 B7R2.16 C1CC12CNC2 P43788 [0,0,0,2,0,0|2,0,0]=4 999 B7R2.16 C1CC12CNC2 Q57095 [0,0,0,2,0,0|2,0,0]=4 1000 B7R2.16 C1CC2(C1)CO2 Q57662 [0,0,0,2,0,0|0,1,0]=3 1001 B7R2.16 C1CC2(CC2)N1 Q53295 [0,0,0,2,0,0|2,0,0]=4 1002 B7R2.16 C1CC2(CC2)N1 Q53296 [0,0,0,2,0,0|2,0,0]=4 1003 B7R2.16 C1OCC12CO2 Q56041 [0,0,0,2,0,0|1,1,0]=4 1004 B7R2.5 BrC12CC(C1)C2 P48918 [0,0,0,2,0,0|1,0,0]=3 1005 B7R2.5 ClC12CC(C1)C2 P49894 [0,0,0,2,0,0|1,0,0]=3 1006 B7R2.5 IC12CC(C1)C2 P48755 [0,0,0,2,0,0|1,0,0]=3 1007 B7R2.5 NC12CC(C1)C2 I-9631 [0,0,0,2,0,0|1,0,0]=3 1008 B7R2.5 NC12CC(C1)C2 P47276 [0,0,0,2,0,0|1,0,0]=3 1009 B7R2.5 OC12CC(C1)C2 P45944 [0,0,0,2,0,0|0,1,0]=3 1010 B7R2.18 OCC12CC1C2 Q55434 [0,0,0,2,0,0|2,0,0]=4