0 B5R0.1 C=C(C)CON P51484 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(N)CCO P39048 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 CC(O)CCN M22972 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(O)CON M15150 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CCC[C@H](C)N I-9318 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CNCC(C)O P40721 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CNCC(F)F P41399 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CNC[C@@H](C)O P41738 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CNC[C@H](C)O P36531 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 COCC(C)Br O32164 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 C[C@@H](N)CCO F-4752 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 C[C@H](N)CC#N Q66038 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 C[C@H](N)CCO F-4570 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.1 NNCC(F)F L20780 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 O=C(O)CCF A-698 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 OCCC(F)F P45589 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.1 C#CC(C)N P51445 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C#C[C@@H](C)N Q52993 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C#C[C@H](C)O Q52831 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=C(C)CN P39039 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CC(=O)CN P45193 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(Br)CO O34000 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(C)NO O30196 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CC(N)CS L19436 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.1 CC(S)CN L19389 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 C[C@@H](Cl)CO 10058 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 C#CCCI P38108 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 C#CCCN O34440 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C#CCNC P38619 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C#COCC P35055 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.2 C=CCCN L22153 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.2 CC#CCBr P38739 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 CCCNN O30752 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 CNCCBr O34465 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 COCCI O28025 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 CSCCBr O31085 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 CSCCN P36563 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|1,1,0]=3 39 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|1,1,0]=3 40 B6R0.1 C#CC(O)CCC P42817 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.2 CC(=O)NC(C)C P50955 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,1,0,0,0,0|0,0,0]=1 49 B6R0.2 CC(N)CN(C)C P42731 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.2 CC(O)CC(=O)O P38963 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.2 CN(C)CC(N)=O P36935 [0,1,0,0,0,0|1,0,2]=4 52 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,1,0,0,0,0|1,0,1]=3 53 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.2 C[C@@H](N)CN(C)C P38236 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.2 C[C@H](N)CN(C)C P35926 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.3 CC(C)C(C)NN P42479 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.3 CC(C)C(O)CN P40479 [0,1,0,0,0,0|1,0,0]=2 61 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,1,0,0,0,0|0,0,0]=1 62 B6R0.3 CCC(C)C(C)N O31127 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.3 CCC(N)C(C)O L20519 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 CN(C)C(=O)CN P36418 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 C[C@H](CO)C(=O)O 10021 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 C#CCCC(C)O L18987 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 C#CCNC(C)C L20531 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.4 C#CCOC(C)C O29863 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.4 CC(Br)CCC#N L20214 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(C)CCON L20789 [0,1,0,0,0,0|0,0,0]=1 71 B6R0.4 CC(C)NCC#N O29997 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.4 CC(C)NCC#N O32001 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.4 CC(C)NCCCl O34399 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.4 CN(C)CCCBr O34500 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.4 CNCCC(C)O P38146 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.5 CC(C)(C)CCN O30845 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.5 CC(C)(C)CNN H-8571 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.5 CC(C)(O)CCBr H-8053 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.5 CC(C)(O)CCN M22892 [0,1,0,0,0,0|1,0,0]=2 80 B6R0.5 CC(C)(O)CNN H-8573 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.5 CNCC(C)(C)C P38864 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.5 CNCC(C)(C)O F-4611 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.5 COCC(C)(C)N P39356 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.5 CS(=O)(=O)CCBr H-8028 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.5 CS(=O)(=O)CCCl O31078 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.5 CS(=O)(=O)CCN P43261 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.5 FC(F)(F)CCI G-5983 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.5 NCCC(F)(F)F L22292 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.5 OCCC(F)(F)F P39569 [0,1,0,0,0,0|2,0,0]=3 90 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|1,0,0]=2 91 B6R1.2 CC1CCCN1 Q61737 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 CC1CCNC1 M22664 [0,0,0,1,0,0|1,0,0]=2 93 B6R1.2 CN1CC=CC1 Q61507 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,1,0,0|1,0,0]=2 96 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,1,0,0|1,0,0]=2 97 B6R1.2 ClC1CCNC1 P42791 [0,0,0,1,0,0|2,0,0]=3 98 B6R1.2 FC1CCNC1 A-349 [0,0,0,1,0,0|2,0,0]=3 99 B6R1.2 FC1CCNC1 C-2208 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.2 FC1CCNC1 P51370 [0,0,0,1,0,0|2,0,0]=3 101 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,1,0,0|2,0,0]=3 104 B6R1.2 IC1=COCC1 Q53484 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 IC1CCCC1 I-9679 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|1,0,0]=2 109 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|1,0,0]=2 112 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|1,0,0]=2 113 B6R1.2 NN1CCCC1 M23462 [0,0,0,1,0,0|3,0,0]=4 114 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|1,0,0]=2 118 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 O=C1CCNC1 S72535 [0,0,0,1,0,0|2,0,1]=4 120 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,1,0,0|1,0,1]=3 121 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|1,1,1]=4 122 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 OC1CCNC1 G-5959 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 OC1CCNC1 I-9548 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|1,0,0]=2 128 B6R1.3 BrCCC1CC1 O33551 [0,0,0,1,0,0|1,0,0]=2 129 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.3 CCNC1CC1 P36705 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.3 CNCC1CC1 L13551 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.3 ICCC1CC1 I-9916 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.3 N#CCC1CC1 O33326 [0,0,0,1,0,0|1,0,1]=3 134 B6R1.3 NCCC1CC1 G-5988 [0,0,0,1,0,0|1,0,0]=2 135 B6R1.3 NCCN1CC1 P45652 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.3 NNCC1CC1 H-8575 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.3 NNCC1CC1 I-9542 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.3 NNCC1CC1 K12084 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.3 NNCC1CC1 L13728 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.3 OCCC1CC1 G-5984 [0,0,0,1,0,0|0,0,0]=1 141 B6R1.5 C=C1CC(N)C1 P48610 [0,0,0,1,0,0|1,0,2]=4 142 B6R1.5 C=C1CC(O)C1 P45320 [0,0,0,1,0,0|0,0,2]=3 143 B6R1.5 CC1CC(=O)C1 L18001 [0,0,0,1,0,0|0,0,2]=3 144 B6R1.5 CC1CC(C)N1 P47027 [0,0,0,1,0,0|2,0,0]=3 145 B6R1.5 CC1CC(C)N1 P48835 [0,0,0,1,0,0|2,0,0]=3 146 B6R1.5 CC1CC(N)C1 P44935 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.5 CC1CC(N)C1 P44936 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.5 CC1CC(O)C1 P44316 [0,0,0,1,0,0|0,0,0]=1 149 B6R1.5 CN1CC(=O)C1 L18430 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.5 CN1CC(=O)C1 P49738 [0,0,0,1,0,0|1,0,2]=4 151 B6R1.5 CN1CC(Cl)C1 P45381 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.5 CN1CC(Cl)C1 Q56193 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.5 CN1CC(N)C1 C-2453 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.5 CN1CC(N)C1 O28765 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.5 CN1CC(O)C1 C-2454 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.5 CN1CC(O)C1 C-2454-1 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,0,0,1,0,0|1,0,0]=2 160 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,0,0,1,0,0|0,0,0]=1 162 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,0,0,1,0,0|1,0,0]=2 164 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,0,0,1,0,0|1,0,0]=2 165 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,0,0,1,0,0|0,0,0]=1 166 B6R1.5 NC1CC(=O)C1 C-3677 [0,0,0,1,0,0|1,0,2]=4 167 B6R1.5 NC1CC(=O)C1 P44186 [0,0,0,1,0,0|1,0,2]=4 168 B6R1.5 NC1CC(F)C1 C-3436 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.5 NC1CC(F)C1 C-3436-1 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.5 NC1CC(N)C1 G-7909 [0,0,0,1,0,0|2,0,0]=3 171 B6R1.5 NC1CC(N)C1 P48839 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.5 NC1CC(O)C1 C-3623 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.5 NC1CC(O)C1 L13650 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.5 NN1CC(O)C1 L18024 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.5 NN1CC(O)C1 P44948 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [0,0,0,1,0,0|1,0,0]=2 183 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [0,0,0,1,0,0|1,0,0]=2 188 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [0,0,0,1,0,0|1,0,0]=2 189 B6R1.5 O=C1CC(Br)C1 G-6311 [0,0,0,1,0,0|1,0,2]=4 190 B6R1.5 O=C1CC(F)C1 H-8760 [0,0,0,1,0,0|1,0,2]=4 191 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,1,0,0|1,0,1]=3 192 B6R1.5 OC1CC(F)C1 I-9823 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.5 OC1CC(O)C1 P45378 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [0,0,0,1,0,0|1,0,0]=2 195 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [0,0,0,1,0,0|1,0,0]=2 196 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [0,0,0,1,0,0|1,0,0]=2 197 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [0,0,0,1,0,0|1,0,0]=2 198 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|0,0,0]=1 199 B6R1.9 CC1(C)CC1Br O33124 [0,0,0,1,0,0|1,0,0]=2 200 B6R1.9 FC1(F)CC1Br L14733 [0,0,0,1,0,0|3,0,0]=4 201 B6R1.9 NC1CC1(F)F L14110 [0,0,0,1,0,0|3,0,0]=4 202 B6R1.10 CC1(Br)CCC1 P45156 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.10 CC1(C)CCN1 P49830 [0,0,0,1,0,0|1,0,0]=2 204 B6R1.10 CC1(C)CCN1 P49838 [0,0,0,1,0,0|1,0,0]=2 205 B6R1.10 CC1(C)CNC1 G-7241 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.10 CC1(C)CNC1 P46487 [0,0,0,1,0,0|2,0,0]=3 207 B6R1.10 CC1(Cl)CNC1 P45910 [0,0,0,1,0,0|3,0,0]=4 208 B6R1.10 CC1(F)CNC1 G-7993 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.10 CC1(F)CNC1 P48538 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.10 CC1(I)CCC1 P44701 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.10 CC1(I)COC1 Q55935 [0,0,0,1,0,0|3,0,0]=4 212 B6R1.10 CC1(N)CCC1 L13595 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.10 CC1(N)CCC1 P45646 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.10 CC1(N)CNC1 C-3560 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.10 CC1(N)CNC1 P48044 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.10 CC1(N)COC1 C-2450 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.10 CC1(N)COC1 C-2981 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.10 CC1(N)CSC1 L14368 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.10 CC1(N)CSC1 Q55807 [0,0,0,1,0,0|3,0,0]=4 220 B6R1.10 CC1(O)CCC1 P39996 [0,0,0,1,0,0|2,0,0]=3 221 B6R1.10 CC1(O)CNC1 D-2563 [0,0,0,1,0,0|3,0,0]=4 222 B6R1.10 CC1(O)CNC1 P45881 [0,0,0,1,0,0|3,0,0]=4 223 B6R1.10 CC1(O)COC1 G-6552 [0,0,0,1,0,0|3,0,0]=4 224 B6R1.10 CC1(O)CSC1 L14102 [0,0,0,1,0,0|3,0,0]=4 225 B6R1.11 CC(N)C1CC1 A-640 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.11 CC(N)C1CC1 A-640-HCL [0,0,0,1,0,0|2,0,0]=3 227 B6R1.11 C[C@@H](N)C1CC1 P46530 [0,0,0,1,0,0|2,0,0]=3 228 B6R1.11 C[C@H](N)C1CC1 L14639 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.11 C[C@H](O)C1CC1 K13410 [0,0,0,1,0,0|2,0,0]=3 230 B3R0.1 CCNN H-8579 [2,0,0,0,0,0|2,0,0]=4 231 B3R0.1 CCNN O31940 [2,0,0,0,0,0|2,0,0]=4 232 B3R0.2 C[PH](C)=O O30537 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.3 C#CC(O)CC P38163 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 CC(CBr)CBr O34172 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.3 CC(CN)CO O30604 [1,1,0,0,0,0|0,0,0]=2 236 B5R0.3 CCC(C)NN O30637 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.3 CNC(=O)CO P37539 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CNC(C)CO M23268 [1,1,0,0,0,0|0,0,0]=2 239 B5R0.3 CN[C@@H](C)CO P38191 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.3 CN[C@H](C)CO P41018 [1,1,0,0,0,0|0,0,0]=2 241 B5R0.3 COC(C)CN P36510 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 NCC(O)CF M23924 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.3 NC[C@@H](F)CO L22313 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.3 NC[C@@H](O)CCl Q69638 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.3 NC[C@H](F)CO O33576 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.4 CC(C)(C)CBr P36951 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.4 CC(C)(F)CO P45778 [1,1,0,0,0,0|0,0,0]=2 248 B5R0.4 CC(C)(O)CN G-7049 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.4 CC(F)(F)CN M15293 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.4 C[Si](C)(C)CI M23058 [1,1,0,0,0,0|1,1,0]=4 251 B5R0.5 CC(C)S(N)=O O29745 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.5 CC(N)C(C)O P38125 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.5 CC(N)C(F)F H-8439 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.5 CC(N)C(F)F H-8440 [1,1,0,0,0,0|2,0,0]=4 255 B5R0.2 C#CCCCI P39399 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.2 C#CCCCO P37563 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.2 C#CCCNC L20446 [1,1,0,0,0,0|1,0,1]=4 258 B5R0.2 C#CCNCC P37598 [1,1,0,0,0,0|1,0,1]=4 259 B5R0.2 C#CCOCC O29883 [1,1,0,0,0,0|1,0,1]=4 260 B5R0.2 CCNCCCl L21040 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.2 CNCCSC M23087 [1,1,0,0,0,0|1,1,0]=4 262 B5R0.2 CSCCCN P39434 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.2 NCC#CCO L20035 [1,1,0,0,0,0|0,0,2]=4 264 B5R0.2 NCCCCS L19142 [1,1,0,0,0,0|0,1,0]=3 265 B5R0.2 [N-]=[N+]=NCCO P41031 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.2 C=CC(=O)CC(C)C L19279 [0,2,0,0,0,0|0,0,2]=4 267 B7R0.2 CC(C)NC(=O)CBr P36229 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.2 CC(C)NC(=O)CN P36647 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.2 CC(C)NC(=O)CN P37073 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.2 COC(=O)CC(C)N P41489 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.2 COC(=O)CN(C)C P36457 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.2 NCC(O)CC(=O)O P35068 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,2,0,0,0,0|1,0,1]=4 279 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 CCCC[C@@H](N)CO P35979 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.3 CCCC[C@H](N)CO P35978 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.3 CCOCC(O)CN L19068 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 CSCCC(N)CO P37819 [0,2,0,0,0,0|1,1,0]=4 285 B7R0.5 CC(=O)N(C)CCN P35211 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,2,0,0,0,0|0,0,0]=2 287 B7R0.5 CCCC(C)C(C)N L19280 [0,2,0,0,0,0|1,0,0]=3 288 B7R0.5 CN(C)C(=O)CCCl P40567 [0,2,0,0,0,0|2,0,0]=4 289 B7R0.5 CN(C)C(=O)CCN O33598 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.7 CCCN(C)CCO Q66069 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.11 CNCC(C)(C)CO P40852 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.11 COCC(C)(C)CN P36170 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.11 COCC(C)(C)CO O31179 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.12 C#CCC(OC)OC L20433 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,2,0,0,0,0|0,0,1]=3 297 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.13 CC(=O)C(C)(C)CO O34551 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.13 CN(C)C(C)(C)CN P36156 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.14 CC(C)(C)C(N)CO P38365 [0,2,0,0,0,0|0,0,0]=2 302 B7R0.14 CC(C)(C)[C@@H](N)CO H-8828 [0,2,0,0,0,0|0,0,0]=2 303 B7R0.14 CC(C)(C)[C@H](N)CO P42613 [0,2,0,0,0,0|0,0,0]=2 304 B7R0.14 CC(C)(O)[C@@H](F)CN P50799 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.14 CC(CO)C(F)(F)F P45619 [0,2,0,0,0,0|2,0,0]=4 306 B7R0.14 CCC(=O)C(C)(C)C O30499 [0,2,0,0,0,0|1,0,1]=4 307 B7R0.15 CCC(CO)C(C)C K16110 [0,2,0,0,0,0|0,0,0]=2 308 B7R0.4 CC(C)CNCC#N M22778 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.4 CN(C)CC#CCN L19923 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.6 CC(C)=CCC(=O)O P43260 [0,2,0,0,0,0|0,0,2]=4 312 B7R0.6 CC(C)OCC(=O)O P38749 [0,2,0,0,0,0|0,0,1]=3 313 B7R0.6 O=C(O)CCC(F)F S72753 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.8 CC(C)(N)CCC#N O30915 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.8 CNCCC(C)(C)O M22918 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.8 C[Si](C)(C)OCCBr P38651 [0,2,0,0,0,0|1,1,0]=4 317 B7R0.8 C[Si](C)(C)OCCI P39245 [0,2,0,0,0,0|1,1,0]=4 318 B7R0.8 OCCCC(F)(F)F P37989 [0,2,0,0,0,0|2,0,0]=4 319 B5R1.2 BrC1CNC1 D-2507 [1,0,0,1,0,0|2,0,0]=4 320 B5R1.2 BrC1CNC1 P39525 [1,0,0,1,0,0|2,0,0]=4 321 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|1,0,0]=3 322 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|0,0,2]=4 323 B5R1.2 C=C1COC1 Q53034 [1,0,0,1,0,0|0,0,2]=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|1,0,0]=3 327 B5R1.2 CC1CNC1 C-2879 [1,0,0,1,0,0|1,0,0]=3 328 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|1,0,0]=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|1,0,0]=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|1,0,0]=3 334 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|1,0,0]=3 339 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|1,0,0]=3 342 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|1,0,0]=3 343 B5R1.2 NC1CSC1 G-6637 [1,0,0,1,0,0|1,1,0]=4 344 B5R1.2 NC1CSC1 Q58806 [1,0,0,1,0,0|1,1,0]=4 345 B5R1.2 NC1CSC1 S72763 [1,0,0,1,0,0|1,1,0]=4 346 B5R1.2 O=C1COC1 A-880 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.2 OC1CNC1 A-407 [1,0,0,1,0,0|2,0,0]=4 348 B5R1.2 OC1CNC1 O28030 [1,0,0,1,0,0|2,0,0]=4 349 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|1,0,0]=3 350 B5R1.2 OC1CSC1 L21497 [1,0,0,1,0,0|1,1,0]=4 351 B5R1.2 SC1CNC1 G-7240 [1,0,0,1,0,0|2,0,0]=4 352 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|1,0,0]=3 353 B5R1.3 CNC1CC1 G-6453 [1,0,0,1,0,0|1,0,0]=3 354 B5R1.3 ClCC1CS1 H-8564 [1,0,0,1,0,0|2,0,0]=4 355 B5R1.3 ICC1CC1 P38738 [1,0,0,1,0,0|1,0,0]=3 356 B5R1.3 NNC1CC1 H-8725 [1,0,0,1,0,0|2,0,0]=4 357 B5R1.3 NNC1CC1 O31496 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.3 SCC1CC1 F-4776 [1,0,0,1,0,0|0,1,0]=3 359 B5R1.4 NC1CC1F O33119 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [1,0,0,1,0,0|2,0,0]=4 362 B5R1.5 CC1(Br)CC1 L14741 [1,0,0,1,0,0|1,0,0]=3 363 B5R1.5 CC1(N)CC1 F-4521 [1,0,0,1,0,0|1,0,0]=3 364 B5R1.5 CC1(O)CC1 F-4583 [1,0,0,1,0,0|1,0,0]=3 365 B5R1.1 C1CSCO1 P51538 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,1,0,0|0,0,0]=2 367 B7R1.1 C#CC1CCNC1 Q55467 [0,1,0,1,0,0|1,0,1]=4 368 B7R1.1 C#CC1CCNC1 Q55468 [0,1,0,1,0,0|1,0,1]=4 369 B7R1.1 C#CC1CCOC1 G-7177 [0,1,0,1,0,0|0,0,1]=3 370 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.1 CNC1CCCC1 P36274 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.1 CNC1CCNC1 P41664 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,1,0,0|0,0,0]=2 375 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,1,0,0|1,0,0]=3 376 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,1,0,0|0,0,0]=2 377 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,1,0,0|1,0,0]=3 378 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,1,0,0|0,0,0]=2 379 B7R1.1 COC1CCNC1 C-2248 [0,1,0,1,0,0|1,0,0]=3 380 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,1,0,0|1,0,0]=3 381 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.1 CSC1CCNC1 L20011 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.1 FCC1CCCN1 Q52409 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.1 FCC1CCNC1 L20341 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,1,0,0|1,0,0]=3 391 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.1 ICC1CCCC1 P39098 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,1,0,0|0,0,0]=2 397 B7R1.1 N#CC1CCNC1 L13633 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.1 N#CC1CCNC1 M23796 [0,1,0,1,0,0|1,0,1]=4 399 B7R1.1 N#CC1CCOC1 I-9148 [0,1,0,1,0,0|0,0,1]=3 400 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,1,0,1,0,0|0,0,1]=3 402 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,1,0,1,0,0|0,0,1]=3 404 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.1 NCC1CCCC1 L14012 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.1 NCC1CCCN1 P37060 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,1,0,0|0,0,0]=2 408 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,1,0,0|0,0,0]=2 409 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,1,0,0|0,0,0]=2 411 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,1,0,0|0,0,0]=2 412 B7R1.1 NC[C@H]1CCCN1 P42386 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,1,0,0|0,0,0]=2 415 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,1,0,0|0,0,0]=2 416 B7R1.1 NNC1CCCC1 O31761 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.1 NNC1CCNC1 O29712 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.1 OCC1CC=CC1 G-6600 [0,1,0,1,0,0|1,0,1]=4 419 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.1 OCC1CCNC1 L13610 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|0,0,0]=2 422 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|0,0,0]=2 426 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|0,0,0]=2 429 B7R1.2 CC1=NC(C)CO1 M15289 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,1,0,0|0,0,0]=2 431 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,1,0,0|0,0,0]=2 432 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.2 CC1CNC(=O)C1 L13710 [0,1,0,1,0,0|0,0,2]=4 434 B7R1.2 CN1CCC(Br)C1 Q53645 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.2 CN1CCC(N)C1 C-2205 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.2 CN1CCC(N)C1 O28463 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.2 CN1CCC(O)C1 C-3294 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,1,0,1,0,0|0,0,2]=4 449 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,1,0,0|0,0,0]=2 451 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,1,0,0|0,0,0]=2 453 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,1,0,1,0,0|0,0,2]=4 456 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,1,0,0|0,0,0]=2 457 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,1,0,0|0,0,0]=2 458 B7R1.2 NC1CCC(F)C1 Q54470 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.2 NC1CCC(F)C1 Q54471 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.2 NC1CCC(O)C1 G-5810 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.2 OC1CCC(F)C1 Q55723 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.2 OC1CCC(O)C1 L14091 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,1,0,0|0,0,2]=4 498 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,1,0,0|0,0,2]=4 499 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.3 CC1=CCNCC1 I-9119 [0,1,0,1,0,0|1,0,1]=4 501 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 CC1COCCN1 B-1060 [0,1,0,1,0,0|0,0,0]=2 504 B7R1.3 CC1COCCN1 O28936 [0,1,0,1,0,0|0,0,0]=2 505 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,1,0,0|0,0,0]=2 510 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,1,0,0|0,0,0]=2 511 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,1,0,0|0,0,0]=2 517 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,1,0,0|0,0,0]=2 518 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,1,0,0|1,0,0]=3 526 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.3 NC1CCSCC1 O33298 [0,1,0,1,0,0|1,1,0]=4 528 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,1,0,0|1,0,0]=3 530 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,1,0,0|1,0,1]=4 531 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 OC1C=CCOC1 Q63933 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,1,0,0|1,0,0]=3 537 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,1,0,0|1,1,0]=4 538 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,1,0,0|2,0,0]=4 543 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.3 SC1CCCNC1 L21541 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.4 CC1CCNC1=O O30375 [0,1,0,1,0,0|1,0,1]=4 549 B7R1.4 CC1CCNC1C Q61659 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.4 CC1CNCC1C O33388 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.4 CC1CNCC1F Q54416 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.4 CC1CNCC1O Q59312 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,1,0,0|1,0,0]=3 555 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,1,0,0|0,0,0]=2 565 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,1,0,0|1,0,0]=3 569 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,1,0,0|0,0,0]=2 571 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.4 FC1CNCC1F Q57411 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.4 NC1CCCC1Cl Q54474 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.4 NC1CCCC1F Q54472 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.4 NC1CCCC1F Q54473 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.4 NC1CCCC1O F-4442 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,1,0,1,0,0|2,0,0]=4 589 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,1,0,1,0,0|1,0,0]=3 609 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,1,0,1,0,0|1,0,0]=3 613 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,1,0,1,0,0|1,0,0]=3 614 B7R1.4 OC1CCCC1F L19027 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.6 BrCCC1CCO1 Q56185 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.6 BrCCC1COC1 Q62635 [0,1,0,1,0,0|1,0,0]=3 632 B7R1.6 BrCCN1CCC1 P49207 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.6 C=CCC1CNC1 H-8202 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.6 CCCC1CNC1 P43152 [0,1,0,1,0,0|1,0,0]=3 635 B7R1.6 CCCC1CNC1 P44924 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.6 CCNC1CCC1 P34707 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.6 CCNC1CCC1 P45089 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.6 CCNC1CNC1 M22745 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.6 CCNC1CNC1 P45767 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.6 CCNC1COC1 G-6617 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.6 CCOC1CNC1 O28975 [0,1,0,1,0,0|2,0,0]=4 642 B7R1.6 CCOC1CNC1 P44497 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.6 CCSC1CNC1 P46826 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.6 CCSC1CNC1 P48713 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.6 CNCC1CCC1 P42057 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.6 CNCC1CCC1 P44415 [0,1,0,1,0,0|2,0,0]=4 647 B7R1.6 CNCC1CCO1 Q55851 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.6 CNCC1CNC1 P43156 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.6 CNCC1CNC1 P44879 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.6 CNCC1COC1 G-7362 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.6 COCC1CCN1 I-9954 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.6 COCC1CCN1 Q56488 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.6 COCC1CCN1 Q56489 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.6 COCC1CNC1 C-2240 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.6 COCC1CNC1 L13685 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.6 COC[C@@H]1CCN1 L13813 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.6 COC[C@H]1CCN1 G-7976 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.6 ClCOC1CCC1 P49912 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.6 FCCC1CNC1 P50454 [0,1,0,1,0,0|1,0,0]=3 661 B7R1.6 ICCC1CCO1 Q56184 [0,1,0,1,0,0|1,0,0]=3 662 B7R1.6 ICCC1COC1 Q62634 [0,1,0,1,0,0|1,0,0]=3 663 B7R1.6 N#CCC1CCC1 P38067 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.6 N#CCC1CNC1 F-4847 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.6 N#CCC1CNC1 I-9990 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.6 N#CCC1COC1 M23104 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.6 NCCC1CCC1 L18182 [0,1,0,1,0,0|1,0,0]=3 668 B7R1.6 NCCC1CCC1 P48448 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.6 NCCC1CCO1 O32973 [0,1,0,1,0,0|1,0,0]=3 670 B7R1.6 NCCC1CNC1 P48388 [0,1,0,1,0,0|1,0,0]=3 671 B7R1.6 NCCC1COC1 P49100 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.6 NCCC1CSC1 Q58816 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.6 NCCN1CCC1 L14069 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,1,0,1,0,0|1,0,0]=3 676 B7R1.6 NNCC1CCC1 L14190 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.6 O=CCC1CCC1 P45355 [0,1,0,1,0,0|0,0,2]=4 678 B7R1.6 O=CCC1CCO1 Q56186 [0,1,0,1,0,0|0,0,2]=4 679 B7R1.6 OCC=C1CCC1 P45610 [0,1,0,1,0,0|0,0,2]=4 680 B7R1.6 OCCC1CCC1 P34706 [0,1,0,1,0,0|0,0,0]=2 681 B7R1.6 OCCC1CCO1 F-4763 [0,1,0,1,0,0|0,0,0]=2 682 B7R1.6 OCCC1CNC1 L21357 [0,1,0,1,0,0|0,0,0]=2 683 B7R1.6 OCCC1CNC1 P44027 [0,1,0,1,0,0|0,0,0]=2 684 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|0,0,0]=2 685 B7R1.6 OCCC1CSC1 Q58815 [0,1,0,1,0,0|0,0,0]=2 686 B7R1.6 OCCN1CCC1 P44493 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,1,0,1,0,0|0,0,0]=2 688 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,1,0,1,0,0|0,0,0]=2 689 B7R1.8 CC1CCC1CO P48346 [0,1,0,1,0,0|0,0,0]=2 690 B7R1.8 CC1NCC1C#N P50215 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|0,0,0]=2 692 B7R1.8 CN1CCC1CN L18103 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.8 CN1CCC1CN P43972 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.8 CN1CCC1CO P47720 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.8 CN1CC[C@@H]1CN L18105 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.8 CN1CC[C@@H]1CN P43970 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.8 CN1CC[C@@H]1CO P46629 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.8 CN1CC[C@H]1CN L18104 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.8 CN1CC[C@H]1CN P43971 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.8 CN1CC[C@H]1CO P44139 [0,1,0,1,0,0|1,0,0]=3 701 B7R1.8 NCC1CCC1F P47834 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.8 NCC1CCC1F P50566 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.8 O=C1CCC1CO L18510 [0,1,0,1,0,0|1,0,1]=4 704 B7R1.8 OCC1CCC1F P47249 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.8 OCC1CCC1O P50851 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,1,0,1,0,0|1,0,0]=3 707 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,1,0,1,0,0|1,0,0]=3 708 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.10 C#CC1CC(F)C1 P47347 [0,1,0,1,0,0|1,0,1]=4 710 B7R1.10 C#CC1CN(C)C1 P46438 [0,1,0,1,0,0|2,0,0]=4 711 B7R1.10 C=C1CC(CBr)C1 P49895 [0,1,0,1,0,0|1,0,1]=4 712 B7R1.10 C=C1CC(CO)C1 P49896 [0,1,0,1,0,0|0,0,2]=4 713 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,1,0,0|0,0,2]=4 714 B7R1.10 CCC1CC(N)C1 P48761 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.10 CCN1CC(N)C1 H-8173 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.10 CCN1CC(N)C1 P46517 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.10 CCN1CC(O)C1 C-2413 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.10 CCN1CC(O)C1 P44328 [0,1,0,1,0,0|1,0,0]=3 719 B7R1.10 CN1CC(CN)C1 I-9961 [0,1,0,1,0,0|2,0,0]=4 720 B7R1.10 CN1CC(CO)C1 L14119 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.10 CN1CC(CO)C1 P45968 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.10 CNC1CC(O)C1 G-5725 [0,1,0,1,0,0|0,0,0]=2 723 B7R1.10 CNC1CC(O)C1 P48534 [0,1,0,1,0,0|0,0,0]=2 724 B7R1.10 CNC1CN(C)C1 G-6504 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,1,0,1,0,0|0,0,0]=2 726 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,1,0,1,0,0|0,0,0]=2 727 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,1,0,1,0,0|0,0,0]=2 728 B7R1.10 COC1CC(=O)C1 F-4668 [0,1,0,1,0,0|0,0,2]=4 729 B7R1.10 COC1CC(Br)C1 P47967 [0,1,0,1,0,0|1,0,0]=3 730 B7R1.10 COC1CC(N)C1 C-3383 [0,1,0,1,0,0|1,0,0]=3 731 B7R1.10 COC1CC(N)C1 G-5007 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.10 COC1CC(O)C1 P48191 [0,1,0,1,0,0|0,0,0]=2 733 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,1,0,1,0,0|1,0,0]=3 735 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,1,0,1,0,0|0,0,0]=2 736 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,1,0,1,0,0|1,0,0]=3 739 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,1,0,1,0,0|0,0,0]=2 740 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.10 N#CC1CC(Cl)C1 P46430 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.10 N#CC1CC(F)C1 L21384 [0,1,0,1,0,0|1,0,1]=4 744 B7R1.10 N#CC1CC(N)C1 G-6943 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.10 N#CC1CC(O)C1 L13803 [0,1,0,1,0,0|0,0,1]=3 746 B7R1.10 N#C[C@H]1C[C@@H](N)C1 L21346 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P47440 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.10 N#C[C@H]1C[C@@H](O)C1 P44973 [0,1,0,1,0,0|0,0,1]=3 749 B7R1.10 N#C[C@H]1C[C@H](N)C1 P47570 [0,1,0,1,0,0|1,0,1]=4 750 B7R1.10 N#C[C@H]1C[C@H](N)C1 P49402 [0,1,0,1,0,0|1,0,1]=4 751 B7R1.10 N#C[C@H]1C[C@H](O)C1 P44972 [0,1,0,1,0,0|0,0,1]=3 752 B7R1.10 NC1CC(CO)C1 C-3529 [0,1,0,1,0,0|1,0,0]=3 753 B7R1.10 NC1CC(CO)C1 P44453 [0,1,0,1,0,0|1,0,0]=3 754 B7R1.10 NCC1CC(=O)C1 C-2921 [0,1,0,1,0,0|0,0,2]=4 755 B7R1.10 NCC1CC(F)C1 G-6332 [0,1,0,1,0,0|1,0,0]=3 756 B7R1.10 NCC1CC(O)C1 G-5291 [0,1,0,1,0,0|0,0,0]=2 757 B7R1.10 NCC1CC(O)C1 P47397 [0,1,0,1,0,0|0,0,0]=2 758 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,1,0,1,0,0|1,0,0]=3 759 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,1,0,1,0,0|0,0,0]=2 760 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,1,0,1,0,0|0,0,0]=2 761 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,1,0,1,0,0|1,0,0]=3 762 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,1,0,1,0,0|0,0,0]=2 763 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,1,0,1,0,0|0,0,0]=2 764 B7R1.10 NN[C@H]1C[C@@H](F)C1 P50331 [0,1,0,1,0,0|2,0,0]=4 765 B7R1.10 NN[C@H]1C[C@@H](O)C1 P50573 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.10 NN[C@H]1C[C@H](F)C1 P50327 [0,1,0,1,0,0|2,0,0]=4 767 B7R1.10 NN[C@H]1C[C@H](O)C1 P50572 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,1,0,1,0,0|1,0,0]=3 769 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,1,0,1,0,0|1,0,0]=3 770 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,1,0,1,0,0|1,0,0]=3 771 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,1,0,1,0,0|1,0,0]=3 772 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,1,0,1,0,0|1,0,0]=3 773 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,1,0,1,0,0|0,0,2]=4 774 B7R1.10 O=C1CC(CCl)C1 L13121 [0,1,0,1,0,0|0,0,2]=4 775 B7R1.10 O=C1CC(CF)C1 P44872 [0,1,0,1,0,0|0,0,2]=4 776 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,1,0,0|0,0,2]=4 777 B7R1.10 O=C1CC(CO)N1 P45245 [0,1,0,1,0,0|1,0,1]=4 778 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,1,0,1,0,0|1,0,1]=4 779 B7R1.10 O=CC1CC(F)C1 P47244 [0,1,0,1,0,0|1,0,1]=4 780 B7R1.10 OC1CC(CBr)C1 P47356 [0,1,0,1,0,0|0,0,0]=2 781 B7R1.10 OC1CC(CF)C1 P47254 [0,1,0,1,0,0|0,0,0]=2 782 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.10 OCC1CC(F)C1 O33399 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.10 OCC1CC(O)C1 P49195 [0,1,0,1,0,0|0,0,0]=2 785 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,1,0,1,0,0|0,0,0]=2 786 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,1,0,1,0,0|0,0,0]=2 787 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,1,0,1,0,0|0,0,0]=2 788 B7R1.21 CC1(CCO)CC1 L14283 [0,1,0,1,0,0|0,0,0]=2 789 B7R1.21 OCCC1(O)CC1 O33441 [0,1,0,1,0,0|0,0,0]=2 790 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.22 CCC(N)C1CC1 L14734 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.22 CCC(O)C1CC1 L14172 [0,1,0,1,0,0|1,0,0]=3 793 B7R1.22 CNC(C)C1CC1 P42683 [0,1,0,1,0,0|1,0,0]=3 794 B7R1.22 NC(CO)C1CC1 P36106 [0,1,0,1,0,0|0,0,0]=2 795 B7R1.22 NCC(O)C1CC1 P37544 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,1,0,1,0,0|0,0,0]=2 797 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,1,0,1,0,0|0,0,0]=2 798 B7R1.25 CC1(C=O)CCC1 P45357 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.25 CC1(CBr)CCC1 P44691 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.25 CC1(CBr)CCO1 Q54729 [0,1,0,1,0,0|0,0,0]=2 801 B7R1.25 CC1(CBr)CNC1 P50067 [0,1,0,1,0,0|2,0,0]=4 802 B7R1.25 CC1(CBr)COC1 C-3487 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.25 CC1(CCl)CCC1 P45668 [0,1,0,1,0,0|1,0,0]=3 804 B7R1.25 CC1(CF)CCN1 P47255 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.25 CC1(CF)CNC1 P47232 [0,1,0,1,0,0|2,0,0]=4 806 B7R1.25 CC1(CF)CNC1 P50193 [0,1,0,1,0,0|2,0,0]=4 807 B7R1.25 CC1(CI)CCO1 Q55856 [0,1,0,1,0,0|0,0,0]=2 808 B7R1.25 CC1(CI)COC1 G-5286 [0,1,0,1,0,0|2,0,0]=4 809 B7R1.25 CC1(CN)CCC1 G-6314 [0,1,0,1,0,0|1,0,0]=3 810 B7R1.25 CC1(CN)CCC1 P44811 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.25 CC1(CN)CCO1 Q55436 [0,1,0,1,0,0|0,0,0]=2 812 B7R1.25 CC1(CN)CNC1 G-5893 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.25 CC1(CN)COC1 C-2245 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.25 CC1(CO)CCC1 P38399 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.25 CC1(CO)CCN1 P48829 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.25 CC1(CO)CCN1 P50194 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.25 CC1(CO)CCN1 P50195 [0,1,0,1,0,0|1,0,0]=3 818 B7R1.25 CC1(CO)CCO1 Q62788 [0,1,0,1,0,0|0,0,0]=2 819 B7R1.25 CC1(CO)CNC1 L21441 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.25 CC1(CO)CNC1 P48076 [0,1,0,1,0,0|2,0,0]=4 821 B7R1.25 CC1(CS)COC1 Q51971 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.25 CCC1(C)CNC1 P47022 [0,1,0,1,0,0|2,0,0]=4 823 B7R1.25 CCC1(C)CNC1 P47941 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.25 CCC1(N)CCC1 P45271 [0,1,0,1,0,0|2,0,0]=4 825 B7R1.25 CCC1(N)CCC1 P45837 [0,1,0,1,0,0|2,0,0]=4 826 B7R1.25 CNC1(C)CNC1 P43151 [0,1,0,1,0,0|2,0,0]=4 827 B7R1.25 CNC1(C)CNC1 P48000 [0,1,0,1,0,0|2,0,0]=4 828 B7R1.25 CNC1(C)COC1 L21548 [0,1,0,1,0,0|2,0,0]=4 829 B7R1.25 COC1(C)CNC1 D-2562 [0,1,0,1,0,0|2,0,0]=4 830 B7R1.25 COC1(C)CNC1 P44994 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.25 FC1(CBr)CCC1 P48063 [0,1,0,1,0,0|2,0,0]=4 832 B7R1.25 NC1(CF)CCC1 P48954 [0,1,0,1,0,0|2,0,0]=4 833 B7R1.25 NC1(CF)CCC1 P48955 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.25 NC1(CO)CCC1 L13691 [0,1,0,1,0,0|2,0,0]=4 835 B7R1.25 NC1(CO)CCC1 P47084 [0,1,0,1,0,0|2,0,0]=4 836 B7R1.25 NCC1(F)CCC1 L14376 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.25 NCC1(N)CCC1 P45183 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.25 NCC1(N)CCC1 P45615 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.25 NCC1(O)CCC1 L14902 [0,1,0,1,0,0|2,0,0]=4 840 B7R1.25 OCC1(F)CCC1 P48894 [0,1,0,1,0,0|2,0,0]=4 841 B7R1.12 CC1CC1C(=O)Cl O31612 [0,1,0,1,0,0|0,0,2]=4 842 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,1,0,1,0,0|0,0,1]=3 843 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,1,0,1,0,0|0,0,1]=3 844 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,1,0,1,0,0|0,0,1]=3 845 B7R1.12 O=C(O)C1CC1F Q52394 [0,1,0,1,0,0|1,0,1]=4 846 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,1,0,1,0,0|1,0,1]=4 847 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,1,0,1,0,0|1,0,1]=4 850 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,1,0,1,0,0|1,0,1]=4 851 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,1,0,1,0,0|0,0,2]=4 852 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,1,0,1,0,0|0,0,2]=4 853 B7R1.16 CC1(C)CC(Br)C1 P45628 [0,1,0,1,0,0|1,0,0]=3 854 B7R1.16 CC1(C)CC(N)C1 L21546 [0,1,0,1,0,0|1,0,0]=3 855 B7R1.16 CC1(C)CC(N)C1 P44151 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.16 CC1(C)CC(O)C1 L21464 [0,1,0,1,0,0|0,0,0]=2 857 B7R1.16 CC1(F)CC(N)C1 L13396 [0,1,0,1,0,0|1,0,0]=3 858 B7R1.16 CC1(F)CC(N)C1 P48242 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,1,0,1,0,0|0,0,2]=4 860 B7R1.16 CC1(N)CC(F)C1 P47217 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.16 CC1(N)CC(O)C1 G-7345 [0,1,0,1,0,0|0,0,0]=2 862 B7R1.16 CC1(O)CC(N)C1 P46958 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.16 CC1(O)CC(N)C1 P47986 [0,1,0,1,0,0|1,0,0]=3 864 B7R1.16 CC1CC(C)(C)N1 P45491 [0,1,0,1,0,0|1,0,0]=3 865 B7R1.16 CC1CC(C)(C)N1 P49429 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.16 CN1CC(C)(N)C1 P47105 [0,1,0,1,0,0|2,0,0]=4 867 B7R1.16 CN1CC(C)(N)C1 P48008 [0,1,0,1,0,0|2,0,0]=4 868 B7R1.16 C[C@]1(F)C[C@@H](N)C1 P46979 [0,1,0,1,0,0|1,0,0]=3 869 B7R1.16 C[C@]1(F)C[C@H](N)C1 P46980 [0,1,0,1,0,0|1,0,0]=3 870 B7R1.16 C[C@]1(N)C[C@@H](N)C1 P50500 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.16 C[C@]1(N)C[C@H](O)C1 G-7346 [0,1,0,1,0,0|0,0,0]=2 872 B7R1.16 C[C@]1(N)C[C@H](O)C1 G-7347 [0,1,0,1,0,0|0,0,0]=2 873 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305-01 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.16 C[C@]1(O)C[C@H](N)C1 G-6304 [0,1,0,1,0,0|1,0,0]=3 876 B7R1.16 C[C@]1(O)C[C@H](N)C1 P43966 [0,1,0,1,0,0|1,0,0]=3 877 B7R1.16 FC1(F)CC(Br)C1 G-6520 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.16 NC1CC(F)(F)C1 C-2314 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.16 NC1CC(F)(F)C1 P44360 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.16 O=S1(=O)CC(O)C1 L22277 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.16 OC1CC(F)(F)C1 G-6518 [0,1,0,1,0,0|1,0,0]=3 882 B7R1.20 CC(C)NC1CC1 M23094 [0,1,0,1,0,0|1,0,0]=3 883 B7R1.20 CC(O)CC1CC1 O29763 [0,1,0,1,0,0|0,0,0]=2 884 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,1,0,1,0,0|0,0,2]=4 885 B7R1.20 O=C(O)CC1CC1 F-4292 [0,1,0,1,0,0|0,0,1]=3 886 B7R1.20 O=C(O)CC1CO1 P45743 [0,1,0,1,0,0|1,0,1]=4 887 B7R1.32 CC1(N)CC1(F)F Q69950 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,1,0,0|0,0,1]=3 889 B7R1.17 CC1(C)CCC1O O32944 [0,1,0,1,0,0|0,0,0]=2 890 B7R1.17 CC1(C)CNC1=O P45241 [0,1,0,1,0,0|0,0,2]=4 891 B7R1.17 CC1(C)NCC1N P44080 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.17 CC1(C)NCC1N P48748 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.17 CC1(C)NCC1O K13397 [0,1,0,1,0,0|0,0,0]=2 894 B7R1.17 CC1(C)NCC1O P47335 [0,1,0,1,0,0|0,0,0]=2 895 B7R1.17 CC1(C)OCC1=O L22440 [0,1,0,1,0,0|0,0,1]=3 896 B7R1.17 CC1(C)OCC1Br Q52792 [0,1,0,1,0,0|0,0,0]=2 897 B7R1.17 CC1(C)OCC1I Q52793 [0,1,0,1,0,0|0,0,0]=2 898 B7R1.17 CC1(C)OCC1N Q52791 [0,1,0,1,0,0|0,0,0]=2 899 B7R1.17 CC1(C)OCC1O Q52790 [0,1,0,1,0,0|0,0,0]=2 900 B7R1.17 CC1(C)SCC1N Q58807 [0,1,0,1,0,0|0,1,0]=3 901 B7R1.17 CC1(C)SCC1N Q58808 [0,1,0,1,0,0|0,1,0]=3 902 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,1,0,1,0,0|0,1,0]=3 903 B7R1.17 OC1CCC1(F)F P46292 [0,1,0,1,0,0|2,0,0]=4 904 B7R1.18 CC(=O)C1COC1 Q56096 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.18 CC(C)C1CCN1 P45191 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.18 CC(C)C1CCN1 P48185 [0,1,0,1,0,0|1,0,0]=3 907 B7R1.18 CC(C)C1CNC1 P48267 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.18 CC(C)C1CNC1 P48289 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.18 CC(F)C1CNC1 P47135 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.18 CC(N)C1CCC1 L22474 [0,1,0,1,0,0|2,0,0]=4 911 B7R1.18 CC(N)C1CCC1 P45412 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.18 CC(N)C1COC1 L21399 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.18 CC(N)C1COC1 Q52428 [0,1,0,1,0,0|1,0,0]=3 914 B7R1.18 CC(O)C1CCC1 P45236 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.18 CC(O)C1CNC1 L18023 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.18 CC(O)C1CNC1 P43762 [0,1,0,1,0,0|2,0,0]=4 917 B7R1.18 CC(O)C1COC1 P47968 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.18 CN(C)C1CNC1 C-3408 [0,1,0,1,0,0|2,0,0]=4 919 B7R1.18 CN(C)C1CNC1 L21694 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.18 CN(C)C1CNC1 P48476 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,1,0,1,0,0|2,0,0]=4 923 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,1,0,1,0,0|1,0,0]=3 924 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,1,0,1,0,0|2,0,0]=4 926 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,1,0,1,0,0|1,0,0]=3 927 B7R1.19 CC(C)C1(O)CC1 L22368 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.23 CC1(C)CC1CO P35038 [0,1,0,1,0,0|0,0,0]=2 929 B7R1.23 OCC1CC1(F)F P45542 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.23 OC[C@@H]1CC1(F)F Q64118 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.7 CCCNC1CC1 P36383 [0,1,0,1,0,0|1,0,0]=3 932 B7R1.7 CCCNC1CC1 P41552 [0,1,0,1,0,0|1,0,0]=3 933 B7R1.7 CNCCC1CC1 P40835 [0,1,0,1,0,0|1,0,0]=3 934 B7R1.7 NCCNC1CC1 O30035 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.7 OCC#CC1CC1 L14728 [0,1,0,1,0,0|0,0,1]=3 936 B7R1.7 OCCNC1CC1 P38598 [0,1,0,1,0,0|0,0,0]=2 937 B7R1.14 CC1(C)CCCN1 A-592 [0,1,0,1,0,0|1,0,0]=3 938 B7R1.14 CC1(C)CCCN1 Q51927 [0,1,0,1,0,0|1,0,0]=3 939 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,1,0,0|1,0,0]=3 940 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,1,0,0|1,0,0]=3 941 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,1,0,0|1,0,0]=3 942 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,1,0,0|1,0,0]=3 945 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,1,0,0|1,0,0]=3 946 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,1,0,0|0,0,0]=2 947 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,1,0,0|1,0,0]=3 948 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,1,0,0|1,0,0]=3 950 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,1,0,0|1,0,0]=3 951 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,1,0,0|1,0,0]=3 953 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,1,0,0|1,0,0]=3 954 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,1,0,0|1,0,0]=3 955 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.14 FC1(F)CCNC1 C-2209 [0,1,0,1,0,0|2,0,0]=4 958 B7R1.26 CC(C)(N)C1CC1 O30329 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.26 CC(C)(O)C1CC1 P43176 [0,1,0,1,0,0|1,0,0]=3 960 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,2,0,0|1,0,0]=3 961 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,2,0,0|1,0,0]=3 962 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,2,0,0|1,0,0]=3 963 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,2,0,0|1,0,0]=3 964 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,2,0,0|2,0,0]=4 965 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,2,0,0|1,0,0]=3 966 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,2,0,0|1,0,0]=3 967 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,2,0,0|1,0,0]=3 968 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,2,0,0|1,0,0]=3 969 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,2,0,0|1,0,0]=3 970 B7R2.3 BrC1CC12CC2 Q52700 [0,0,0,2,0,0|1,0,0]=3 971 B7R2.16 C1CC12CNC2 L18227 [0,0,0,2,0,0|2,0,0]=4 972 B7R2.16 C1CC12CNC2 P43788 [0,0,0,2,0,0|2,0,0]=4 973 B7R2.16 C1CC12CNC2 Q57095 [0,0,0,2,0,0|2,0,0]=4 974 B7R2.16 C1CC2(C1)CO2 Q57662 [0,0,0,2,0,0|2,0,0]=4 975 B7R2.16 C1CC2(CC2)N1 Q53295 [0,0,0,2,0,0|1,0,0]=3 976 B7R2.16 C1CC2(CC2)N1 Q53296 [0,0,0,2,0,0|1,0,0]=3 977 B7R2.5 BrC12CC(C1)C2 P48918 [0,0,0,2,0,0|1,0,0]=3 978 B7R2.5 ClC12CC(C1)C2 P49894 [0,0,0,2,0,0|1,0,0]=3 979 B7R2.5 IC12CC(C1)C2 P48755 [0,0,0,2,0,0|1,0,0]=3 980 B7R2.5 NC12CC(C1)C2 I-9631 [0,0,0,2,0,0|1,0,0]=3 981 B7R2.5 NC12CC(C1)C2 P47276 [0,0,0,2,0,0|1,0,0]=3 982 B7R2.5 OC12CC(C1)C2 P45944 [0,0,0,2,0,0|0,0,0]=2 983 B7R2.18 OCC12CC1C2 Q55434 [0,0,0,2,0,0|0,0,0]=2