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|1,0,2]=3 2 B5R0.1 CC(O)CCN M22972 [0,0,0,0,0,0|2,0,1]=3 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|2,0,1]=3 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|1,0,2]=3 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|1,0,2]=3 13 B5R0.1 NNCC(F)F L20780 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 OCCC(F)F P45589 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 C#CC(C)N P51445 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 C#C[C@@H](C)N Q52993 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C#C[C@H](C)O Q52831 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C=C(C)CN P39039 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 CC(=O)CN P45193 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(Br)CO O34000 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(C)NO O30196 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(N)CS L19436 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.1 CC(S)CN L19389 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C[C@@H](Cl)CO 10058 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 C#CCCI P38108 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 C#CCCN O34440 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 C#CCNC P38619 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 C#COCC P35055 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 C=CCCN L22153 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 C=CCNN O31326 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 CCCNN O30752 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CNCCBr O34465 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.2 COCCI O28025 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 CSCCBr O31085 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 CSCCN P36563 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|1,1,1]=4 38 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|1,1,1]=4 39 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.2 CC(=O)NC(C)C P50955 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,1,0,0,0,0|0,0,2]=3 45 B6R0.2 CC(N)CN(C)C P42731 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.2 CC(O)CC(=O)O P38963 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.2 CN(C)CC(N)=O P36935 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.2 C[C@@H](N)CN(C)C P38236 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.2 C[C@H](N)CN(C)C P35926 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 CC(C)C(C)NN P42479 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.3 CC(C)C(O)CN P40479 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.3 CC(C)[C@@H](N)CO L13788 [0,1,0,0,0,0|0,0,2]=3 58 B6R0.3 CCC(C)C(C)N O31127 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.3 CCC(N)C(C)O L20519 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 C#CCCC(C)O L18987 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.4 C#CCNC(C)C L20531 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.4 C#CCOC(C)C O29863 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.4 CC(Br)CCC#N L20214 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(C)CCON L20789 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.4 CC(C)NCC#N O29997 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.4 CC(C)NCC#N O32001 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.4 CC(C)NCCCl O34399 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.4 CN(C)CCCBr O34500 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 CNCCC(C)O P38146 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 O=CNCC(=O)O P39379 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.5 CC(C)(C)CCN O30845 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.5 CC(C)(C)CNN H-8571 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.5 CC(C)(O)CCBr H-8053 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.5 CC(C)(O)CCN M22892 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.5 CC(C)(O)CNN H-8573 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.5 CNCC(C)(C)C P38864 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.5 CNCC(C)(C)O F-4611 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.5 COCC(C)(C)N P39356 [0,1,0,0,0,0|2,0,0]=3 79 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|1,0,2]=4 80 B6R1.2 CC1CCCN1 Q61737 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.2 CC1CCNC1 M22664 [0,0,0,1,0,0|1,0,1]=3 82 B6R1.2 CN1CC=CC1 Q61507 [0,0,0,1,0,0|2,0,0]=3 83 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,1,0,0|1,0,1]=3 85 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,1,0,0|1,0,1]=3 86 B6R1.2 ClC1CCNC1 P42791 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 FC1CCNC1 A-349 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 FC1CCNC1 C-2208 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 FC1CCNC1 P51370 [0,0,0,1,0,0|2,0,1]=4 90 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 IC1CCCC1 I-9679 [0,0,0,1,0,0|2,0,1]=4 94 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|1,0,2]=4 95 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|1,0,2]=4 97 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,1,0,0|2,0,0]=3 98 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,1,0,0|2,0,0]=3 99 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|1,0,2]=4 100 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|1,0,2]=4 102 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 OC1CCNC1 G-5959 [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 OC1CCNC1 I-9548 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|1,0,2]=4 109 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|1,0,2]=4 110 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|1,0,2]=4 111 B6R1.3 BrCCC1CC1 O33551 [0,0,0,1,0,0|1,0,1]=3 112 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.3 CCNC1CC1 P36705 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.3 CNCC1CC1 L13551 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.3 ICCC1CC1 I-9916 [0,0,0,1,0,0|1,0,1]=3 116 B6R1.3 N#CCC1CC1 O33326 [0,0,0,1,0,0|1,0,1]=3 117 B6R1.3 NCCC1CC1 G-5988 [0,0,0,1,0,0|1,0,1]=3 118 B6R1.3 NCCN1CC1 P45652 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.3 NNCC1CC1 H-8575 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.3 NNCC1CC1 I-9542 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.3 NNCC1CC1 K12084 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.3 NNCC1CC1 L13728 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.3 OCCC1CC1 G-5984 [0,0,0,1,0,0|0,0,2]=3 124 B6R1.5 C=C1CC(N)C1 P48610 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.5 C=C1CC(O)C1 P45320 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.5 CC1CC(=O)C1 L18001 [0,0,0,1,0,0|0,0,0]=1 127 B6R1.5 CC1CC(C)N1 P47027 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.5 CC1CC(C)N1 P48835 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.5 CC1CC(N)C1 P44935 [0,0,0,1,0,0|1,0,1]=3 130 B6R1.5 CC1CC(N)C1 P44936 [0,0,0,1,0,0|1,0,1]=3 131 B6R1.5 CC1CC(O)C1 P44316 [0,0,0,1,0,0|0,0,2]=3 132 B6R1.5 CN1CC(=O)C1 L18430 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.5 CN1CC(=O)C1 P49738 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.5 CN1CC(Cl)C1 P45381 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.5 CN1CC(Cl)C1 Q56193 [0,0,0,1,0,0|2,0,1]=4 136 B6R1.5 CN1CC(N)C1 C-2453 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.5 CN1CC(N)C1 O28765 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.5 CN1CC(O)C1 C-2454 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.5 CN1CC(O)C1 C-2454-1 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [0,0,0,1,0,0|1,0,1]=3 143 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [0,0,0,1,0,0|1,0,1]=3 144 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [0,0,0,1,0,0|0,0,2]=3 145 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [0,0,0,1,0,0|1,0,1]=3 147 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [0,0,0,1,0,0|1,0,1]=3 148 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [0,0,0,1,0,0|0,0,2]=3 149 B6R1.5 NC1CC(=O)C1 C-3677 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.5 NC1CC(=O)C1 P44186 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.5 NC1CC(F)C1 C-3436 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.5 NC1CC(F)C1 C-3436-1 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.5 NC1CC(N)C1 G-7909 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.5 NC1CC(N)C1 P48839 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.5 NC1CC(O)C1 C-3623 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.5 NC1CC(O)C1 L13650 [0,0,0,1,0,0|1,0,2]=4 157 B6R1.5 NN1CC(O)C1 L18024 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.5 NN1CC(O)C1 P44948 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [0,0,0,1,0,0|1,0,2]=4 166 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [0,0,0,1,0,0|2,0,1]=4 167 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [0,0,0,1,0,0|1,0,2]=4 171 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [0,0,0,1,0,0|1,0,2]=4 172 B6R1.5 O=C1CC(Br)C1 G-6311 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.5 O=C1CC(F)C1 H-8760 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.5 O=C1CC(O)C1 F-4733 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.5 OC1CC(F)C1 I-9823 [0,0,0,1,0,0|1,0,2]=4 176 B6R1.5 OC1CC(O)C1 P45378 [0,0,0,1,0,0|1,0,2]=4 177 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [0,0,0,1,0,0|1,0,2]=4 178 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [0,0,0,1,0,0|1,0,2]=4 179 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [0,0,0,1,0,0|1,0,2]=4 180 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [0,0,0,1,0,0|1,0,2]=4 181 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|0,0,2]=3 182 B6R1.9 CC1(C)CC1Br O33124 [0,0,0,1,0,0|1,0,1]=3 183 B6R1.10 CC1(Br)CCC1 P45156 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.10 CC1(C)CCN1 P49830 [0,0,0,1,0,0|1,0,1]=3 185 B6R1.10 CC1(C)CCN1 P49838 [0,0,0,1,0,0|1,0,1]=3 186 B6R1.10 CC1(C)CNC1 G-7241 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.10 CC1(C)CNC1 P46487 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.10 CC1(Cl)CNC1 P45910 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.10 CC1(F)CNC1 G-7993 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.10 CC1(F)CNC1 P48538 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.10 CC1(I)CCC1 P44701 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.10 CC1(I)COC1 Q55935 [0,0,0,1,0,0|3,0,0]=4 193 B6R1.10 CC1(N)CCC1 L13595 [0,0,0,1,0,0|2,0,1]=4 194 B6R1.10 CC1(N)CCC1 P45646 [0,0,0,1,0,0|2,0,1]=4 195 B6R1.10 CC1(N)CNC1 C-3560 [0,0,0,1,0,0|3,0,0]=4 196 B6R1.10 CC1(N)CNC1 P48044 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.10 CC1(N)COC1 C-2450 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.10 CC1(N)COC1 C-2981 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.10 CC1(N)CSC1 L14368 [0,0,0,1,0,0|3,0,0]=4 200 B6R1.10 CC1(N)CSC1 Q55807 [0,0,0,1,0,0|3,0,0]=4 201 B6R1.10 CC1(O)CCC1 P39996 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.10 CC1(O)CNC1 D-2563 [0,0,0,1,0,0|3,0,0]=4 203 B6R1.10 CC1(O)CNC1 P45881 [0,0,0,1,0,0|3,0,0]=4 204 B6R1.10 CC1(O)COC1 G-6552 [0,0,0,1,0,0|3,0,0]=4 205 B6R1.10 CC1(O)CSC1 L14102 [0,0,0,1,0,0|3,0,0]=4 206 B6R1.11 CC(N)C1CC1 A-640 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.11 CC(N)C1CC1 A-640-HCL [0,0,0,1,0,0|2,0,1]=4 208 B6R1.11 C[C@@H](N)C1CC1 P46530 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.11 C[C@H](N)C1CC1 L14639 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.11 C[C@H](O)C1CC1 K13410 [0,0,0,1,0,0|2,0,1]=4 211 B3R0.1 CCNN H-8579 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 CCNN O31940 [2,0,0,0,0,0|2,0,0]=4 213 B3R0.2 CC(=O)[O-] P38729 [2,0,0,0,0,0|1,0,1]=4 214 B3R0.2 CC(=O)[O-] P40879 [2,0,0,0,0,0|1,0,1]=4 215 B3R0.2 C[PH](C)=O O30537 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.3 C=CC(C)ON P51545 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.3 CC(CBr)CBr O34172 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.3 CC(CN)CO O30604 [1,1,0,0,0,0|0,0,1]=3 219 B5R0.3 CCC(C)NN O30637 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 CNC(C)CO M23268 [1,1,0,0,0,0|0,0,1]=3 221 B5R0.3 CN[C@@H](C)CO P38191 [1,1,0,0,0,0|0,0,1]=3 222 B5R0.3 CN[C@H](C)CO P41018 [1,1,0,0,0,0|0,0,1]=3 223 B5R0.3 COC(C)CN P36510 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.3 NCC(O)CF M23924 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.3 NC[C@@H](F)CO L22313 [1,1,0,0,0,0|1,0,1]=4 226 B5R0.3 NC[C@@H](O)CCl Q69638 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.3 NC[C@H](F)CO O33576 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.4 CC(C)(C)CBr P36951 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.4 CC(C)(F)CO P45778 [1,1,0,0,0,0|0,0,1]=3 230 B5R0.4 CC(C)(O)CN G-7049 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.4 CC(F)(F)CN M15293 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.4 C[Si](C)(C)CI M23058 [1,1,0,0,0,0|1,1,0]=4 233 B5R0.5 CC(C)S(N)=O O29745 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.5 CC(Cl)C(=N)N L21176 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.5 CC(N)C(C)O P38125 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.5 CC(N)C(F)F H-8439 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.5 CC(N)C(F)F H-8440 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.5 CC(N)C(N)=O P37963 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.5 CC(O)C(N)=O P39940 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.5 C[C@@H](O)C(=N)N P38252 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.5 C[C@@H](O)C(N)=O P37171 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.5 C[C@H](O)C(=N)N P41718 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.2 C#CCCCI P39399 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.2 C#CCCCO P37563 [1,1,0,0,0,0|1,0,1]=4 245 B5R0.2 C#CCCNC L20446 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.2 C#CCNCC P37598 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.2 C#CCOCC O29883 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.2 CCNCCCl L21040 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.2 CNCCSC M23087 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.2 CSCCCN P39434 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.2 NCCCCS L19142 [1,1,0,0,0,0|0,1,1]=4 252 B7R0.2 C#CC(=O)OC(C)C S86242 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.2 C=CC(=O)CC(C)C L19279 [0,2,0,0,0,0|0,0,0]=2 254 B7R0.2 CC(C)NC(=O)CBr P36229 [0,2,0,0,0,0|1,0,0]=3 255 B7R0.2 CC(C)NC(=O)CN P36647 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.2 CC(C)NC(=O)CN P37073 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.2 CCC(=O)CC(=O)O P43007 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.2 CCC(=O)CC(C)=O O31794 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,2,0,0,0,0|1,0,0]=3 260 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.2 CNC(=O)CC(=O)O P38150 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.2 COC(=O)CC(C)N P41489 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.2 COC(=O)CN(C)C P36457 [0,2,0,0,0,0|1,0,0]=3 264 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.2 NCC(O)CC(=O)O P35068 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,2,0,0,0,0|1,0,0]=3 268 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.5 CCCC(C)C(C)N L19280 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.7 COCC(C)N=C=O L20863 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.11 CNCC(C)(C)CO P40852 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.11 COCC(C)(C)CN P36170 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.11 COCC(C)(C)CO O31179 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.12 C#CCC(OC)OC L20433 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.9 O=C(O)CC(F)(F)F P39355 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,2,0,0,0,0|0,0,0]=2 280 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,2,0,0,0,0|1,0,0]=3 281 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.14 CC(C)(C)C(N)CO P38365 [0,2,0,0,0,0|0,0,2]=4 283 B7R0.14 CC(C)(C)[C@@H](N)CO H-8828 [0,2,0,0,0,0|0,0,2]=4 284 B7R0.14 CC(C)(C)[C@H](N)CO P42613 [0,2,0,0,0,0|0,0,2]=4 285 B7R0.14 CC(C)(O)[C@@H](F)CN P50799 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.15 CCC(CO)C(C)C K16110 [0,2,0,0,0,0|0,0,2]=4 287 B7R0.4 CC(C)CNCC#N M22778 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.6 CC(C)=CCC(=O)O P43260 [0,2,0,0,0,0|0,0,1]=3 290 B7R0.6 CC(C)OCC(=O)O P38749 [0,2,0,0,0,0|0,0,0]=2 291 B7R0.6 O=C(O)CCC(F)F S72753 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.8 CC(C)(N)CCC#N O30915 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.8 CNCCC(C)(C)O M22918 [0,2,0,0,0,0|1,0,1]=4 294 B5R1.2 BrC1CNC1 D-2507 [1,0,0,1,0,0|2,0,0]=4 295 B5R1.2 BrC1CNC1 P39525 [1,0,0,1,0,0|2,0,0]=4 296 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|1,0,1]=4 297 B5R1.2 CC1CCN1 M22690 [1,0,0,1,0,0|1,0,1]=4 298 B5R1.2 CC1CCN1 P44577 [1,0,0,1,0,0|1,0,1]=4 299 B5R1.2 CC1CCO1 Q53239 [1,0,0,1,0,0|1,0,1]=4 300 B5R1.2 CC1CNC1 C-2879 [1,0,0,1,0,0|1,0,0]=3 301 B5R1.2 C[C@@H]1CCN1 P45172 [1,0,0,1,0,0|1,0,1]=4 302 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,1,0,0|1,0,1]=4 303 B5R1.2 C[C@H]1CCN1 P44797 [1,0,0,1,0,0|1,0,1]=4 304 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,1,0,0|1,0,1]=4 305 B5R1.2 ClC1CNC1 G-7722 [1,0,0,1,0,0|2,0,0]=4 306 B5R1.2 ClC1COC1 L21610 [1,0,0,1,0,0|1,0,1]=4 307 B5R1.2 FC1CNC1 A-433 [1,0,0,1,0,0|2,0,0]=4 308 B5R1.2 FC1CNC1 P45315 [1,0,0,1,0,0|2,0,0]=4 309 B5R1.2 IC1CCC1 L21363 [1,0,0,1,0,0|1,0,1]=4 310 B5R1.2 IC1CNC1 F-4497 [1,0,0,1,0,0|2,0,0]=4 311 B5R1.2 IC1COC1 C-2449 [1,0,0,1,0,0|1,0,1]=4 312 B5R1.2 NC1CCC1 P45382 [1,0,0,1,0,0|1,0,1]=4 313 B5R1.2 NC1CNC1 L13523 [1,0,0,1,0,0|2,0,0]=4 314 B5R1.2 NC1COC1 C-2472 [1,0,0,1,0,0|1,0,1]=4 315 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|1,0,1]=4 316 B5R1.2 NC1CSC1 G-6637 [1,0,0,1,0,0|1,1,0]=4 317 B5R1.2 NC1CSC1 Q58806 [1,0,0,1,0,0|1,1,0]=4 318 B5R1.2 NC1CSC1 S72763 [1,0,0,1,0,0|1,1,0]=4 319 B5R1.2 OC1CNC1 A-407 [1,0,0,1,0,0|2,0,0]=4 320 B5R1.2 OC1CNC1 O28030 [1,0,0,1,0,0|2,0,0]=4 321 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|1,0,1]=4 322 B5R1.2 OC1CSC1 L21497 [1,0,0,1,0,0|1,1,0]=4 323 B5R1.2 SC1CNC1 G-7240 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|1,0,1]=4 325 B5R1.3 CNC1CC1 G-6453 [1,0,0,1,0,0|1,0,1]=4 326 B5R1.3 ClCC1CS1 H-8564 [1,0,0,1,0,0|2,0,0]=4 327 B5R1.3 ICC1CC1 P38738 [1,0,0,1,0,0|1,0,0]=3 328 B5R1.3 NNC1CC1 H-8725 [1,0,0,1,0,0|2,0,0]=4 329 B5R1.3 NNC1CC1 O31496 [1,0,0,1,0,0|2,0,0]=4 330 B5R1.3 SCC1CC1 F-4776 [1,0,0,1,0,0|0,1,0]=3 331 B5R1.4 NC1CC1F O33119 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [1,0,0,1,0,0|2,0,0]=4 333 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [1,0,0,1,0,0|2,0,0]=4 334 B5R1.5 CC1(Br)CC1 L14741 [1,0,0,1,0,0|1,0,1]=4 335 B5R1.5 CC1(N)CC1 F-4521 [1,0,0,1,0,0|1,0,1]=4 336 B5R1.5 CC1(O)CC1 F-4583 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,1,0,0|0,0,2]=4 338 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 CNC1CCCC1 P36274 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.1 CNC1CCNC1 P41664 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,1,0,0|0,0,2]=4 343 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,1,0,0|0,0,2]=4 345 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,1,0,0|1,0,1]=4 346 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,1,0,0|0,0,2]=4 347 B7R1.1 COC1CCNC1 C-2248 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,1,0,0|1,0,1]=4 349 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.1 CSC1CCNC1 L20011 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.1 FCC1CCNC1 L20341 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.1 ICC1CCCC1 P39098 [0,1,0,1,0,0|1,0,1]=4 359 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,1,0,0|0,0,2]=4 360 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.1 NCC1CCCC1 L14012 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,1,0,0|0,0,2]=4 363 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,1,0,0|0,0,2]=4 364 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,1,0,0|0,0,2]=4 365 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,1,0,0|0,0,2]=4 366 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,1,0,0|0,0,2]=4 368 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,1,0,0|0,0,2]=4 369 B7R1.1 OCC1CC=CC1 G-6600 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.1 OCC1CCNC1 L13610 [0,1,0,1,0,0|1,0,1]=4 372 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|0,0,2]=4 376 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,1,0,0|1,0,1]=4 377 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,1,0,0|1,0,1]=4 378 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|0,0,2]=4 379 B7R1.2 CC1=NC(C)CO1 M15289 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,1,0,0|0,0,2]=4 382 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,1,0,0|1,0,1]=4 383 B7R1.2 CC1CNC(=O)C1 L13710 [0,1,0,1,0,0|0,0,0]=2 384 B7R1.2 CC1CNC(=O)O1 P51279 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,1,0,1,0,0|0,0,0]=2 386 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,1,0,0|0,0,2]=4 389 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,1,0,0|1,0,1]=4 390 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,1,0,1,0,0|0,0,0]=2 392 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,1,0,0|0,0,2]=4 393 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,1,0,0|0,0,2]=4 394 B7R1.2 NC1CNC(=O)C1 G-6478 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.2 NC1CNC(=O)C1 L13560 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.2 O=C1C=CC(O)C1 O30118 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.2 O=C1C=C[C@H](O)C1 Q54463 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|1,0,0]=3 406 B7R1.2 O=C1CNC(=O)C1 L18257 [0,1,0,1,0,0|1,0,1]=4 407 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.3 CC1COCCN1 B-1060 [0,1,0,1,0,0|0,0,2]=4 412 B7R1.3 CC1COCCN1 O28936 [0,1,0,1,0,0|0,0,2]=4 413 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,1,0,0|1,0,1]=4 417 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,1,0,0|0,0,2]=4 418 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,1,0,0|0,0,2]=4 419 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,1,0,0|1,0,1]=4 421 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,1,0,0|1,0,1]=4 422 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,1,0,0|1,0,1]=4 423 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,1,0,0|0,0,2]=4 425 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,1,0,0|0,0,2]=4 426 B7R1.4 CC1CCNC1C Q61659 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.4 CC1CNCC1C O33388 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.4 CC1CNCC1F Q54416 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.4 CC1CNCC1O Q59312 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,1,0,0|0,0,2]=4 441 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,1,0,0|0,0,2]=4 444 B7R1.6 BrCCC1CCO1 Q56185 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.6 BrCCC1COC1 Q62635 [0,1,0,1,0,0|1,0,1]=4 446 B7R1.6 C=CCC1CNC1 H-8202 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.6 C=CCN1CCC1 P45061 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.6 CCCC1CNC1 P43152 [0,1,0,1,0,0|1,0,1]=4 449 B7R1.6 CCCC1CNC1 P44924 [0,1,0,1,0,0|1,0,1]=4 450 B7R1.6 CNCC1CCC1 P42057 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.6 CNCC1CCC1 P44415 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.6 CNCC1CCO1 Q55851 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.6 CNCC1CNC1 P43156 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.6 CNCC1CNC1 P44879 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.6 CNCC1COC1 G-7362 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.6 COCC1CCN1 I-9954 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.6 COCC1CCN1 Q56488 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.6 COCC1CCN1 Q56489 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.6 COCC1CNC1 C-2240 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.6 COCC1CNC1 L13685 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.6 COC[C@@H]1CCN1 L13813 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.6 COC[C@H]1CCN1 G-7976 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.6 FCCC1CNC1 P50454 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.6 ICCC1CCO1 Q56184 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.6 ICCC1COC1 Q62634 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.6 N#CCC1CCC1 P38067 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.6 N#CCC1CNC1 F-4847 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.6 N#CCC1CNC1 I-9990 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.6 N#CCC1COC1 M23104 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.6 NCCC1CCC1 L18182 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.6 NCCC1CCC1 P48448 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.6 NCCC1CCO1 O32973 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.6 NCCC1CNC1 P48388 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.6 NCCC1COC1 P49100 [0,1,0,1,0,0|1,0,1]=4 476 B7R1.6 NCCC1CSC1 Q58816 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.6 NNCC1CCC1 L14190 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.6 O=C=NC1CCC1 P45443 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.6 O=CCC1CCC1 P45355 [0,1,0,1,0,0|0,0,0]=2 482 B7R1.6 O=CCC1CCO1 Q56186 [0,1,0,1,0,0|0,0,0]=2 483 B7R1.6 O=CCN1CCC1 P47882 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.6 OCCC1CCC1 P34706 [0,1,0,1,0,0|0,0,2]=4 485 B7R1.6 OCCC1CCO1 F-4763 [0,1,0,1,0,0|0,0,2]=4 486 B7R1.6 OCCC1CNC1 L21357 [0,1,0,1,0,0|0,0,2]=4 487 B7R1.6 OCCC1CNC1 P44027 [0,1,0,1,0,0|0,0,2]=4 488 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|0,0,2]=4 489 B7R1.6 OCCC1CSC1 Q58815 [0,1,0,1,0,0|0,0,2]=4 490 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,1,0,1,0,0|0,0,2]=4 491 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,1,0,1,0,0|0,0,2]=4 492 B7R1.8 CC1CCC1CO P48346 [0,1,0,1,0,0|0,0,2]=4 493 B7R1.8 CC1NCC1C#N P50215 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|0,0,2]=4 495 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,1,0,1,0,0|0,0,2]=4 496 B7R1.10 C=C1CC(C#N)C1 G-6142 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.10 C=C1CC(CBr)C1 P49895 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.10 C=C1CC(CO)C1 P49896 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.10 C=CC1CC(=O)C1 P45344 [0,1,0,1,0,0|0,0,1]=3 500 B7R1.10 CCC1CC(=O)C1 P44071 [0,1,0,1,0,0|0,0,0]=2 501 B7R1.10 CCC1CC(N)C1 P48761 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.10 CN1CC(CN)C1 I-9961 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.10 CN1CC(CO)C1 L14119 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.10 CN1CC(CO)C1 P45968 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.10 CNC1CC(O)C1 G-5725 [0,1,0,1,0,0|0,0,2]=4 506 B7R1.10 CNC1CC(O)C1 P48534 [0,1,0,1,0,0|0,0,2]=4 507 B7R1.10 CNC1CN(C)C1 G-6504 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,1,0,1,0,0|0,0,2]=4 509 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,1,0,1,0,0|0,0,2]=4 510 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,1,0,1,0,0|0,0,2]=4 511 B7R1.10 COC1CC(=O)C1 F-4668 [0,1,0,1,0,0|0,0,0]=2 512 B7R1.10 COC1CC(Br)C1 P47967 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.10 COC1CC(N)C1 C-3383 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.10 COC1CC(N)C1 G-5007 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.10 COC1CC(O)C1 P48191 [0,1,0,1,0,0|0,0,2]=4 516 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,1,0,1,0,0|0,0,2]=4 519 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,1,0,1,0,0|1,0,1]=4 520 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,1,0,1,0,0|1,0,1]=4 521 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,1,0,1,0,0|1,0,1]=4 522 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,1,0,1,0,0|1,0,1]=4 525 B7R1.10 N#CC1CC(=O)C1 F-4231 [0,1,0,1,0,0|0,0,1]=3 526 B7R1.10 NC1CC(CO)C1 C-3529 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.10 NC1CC(CO)C1 P44453 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.10 NCC1CC(=O)C1 C-2921 [0,1,0,1,0,0|0,0,0]=2 529 B7R1.10 NCC1CC(F)C1 G-6332 [0,1,0,1,0,0|1,0,1]=4 530 B7R1.10 NCC1CC(O)C1 G-5291 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.10 NCC1CC(O)C1 P47397 [0,1,0,1,0,0|0,0,2]=4 532 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,1,0,1,0,0|0,0,2]=4 534 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,1,0,1,0,0|0,0,2]=4 535 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,1,0,1,0,0|1,0,1]=4 536 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,1,0,1,0,0|0,0,2]=4 537 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,1,0,1,0,0|0,0,2]=4 538 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,1,0,1,0,0|0,0,0]=2 544 B7R1.10 O=C1CC(CBr)O1 Q57248 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.10 O=C1CC(CCl)C1 L13121 [0,1,0,1,0,0|0,0,0]=2 546 B7R1.10 O=C1CC(CF)C1 P44872 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,1,0,0|0,0,0]=2 548 B7R1.10 O=C1CC(CO)N1 P45245 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.10 O=CC1CC(F)C1 P47244 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.10 OC1CC(CBr)C1 P47356 [0,1,0,1,0,0|0,0,2]=4 552 B7R1.10 OC1CC(CF)C1 P47254 [0,1,0,1,0,0|0,0,2]=4 553 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,1,0,1,0,0|1,0,1]=4 554 B7R1.10 OCC1CC(F)C1 O33399 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.10 OCC1CC(O)C1 P49195 [0,1,0,1,0,0|0,0,2]=4 556 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,1,0,1,0,0|0,0,2]=4 557 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,1,0,1,0,0|0,0,2]=4 558 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,1,0,1,0,0|0,0,2]=4 559 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10677 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.15 C[C@@H]1NC(=O)[C@H]1N 10678 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.21 CC1(CCO)CC1 L14283 [0,1,0,1,0,0|0,0,2]=4 562 B7R1.21 OCCC1(O)CC1 O33441 [0,1,0,1,0,0|0,0,2]=4 563 B7R1.22 CCC(N)C1CC1 L14734 [0,1,0,1,0,0|1,0,1]=4 564 B7R1.22 CCC(O)C1CC1 L14172 [0,1,0,1,0,0|1,0,1]=4 565 B7R1.22 CNC(C)C1CC1 P42683 [0,1,0,1,0,0|1,0,1]=4 566 B7R1.22 NC(CO)C1CC1 P36106 [0,1,0,1,0,0|0,0,2]=4 567 B7R1.22 NCC(O)C1CC1 P37544 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,1,0,1,0,0|0,0,2]=4 569 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.25 CC1(CBr)CCC1 P44691 [0,1,0,1,0,0|1,0,1]=4 571 B7R1.25 CC1(CBr)CCO1 Q54729 [0,1,0,1,0,0|0,0,2]=4 572 B7R1.25 CC1(CBr)CNC1 P50067 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.25 CC1(CBr)COC1 C-3487 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.25 CC1(CCl)CCC1 P45668 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.25 CC1(CF)CCN1 P47255 [0,1,0,1,0,0|1,0,1]=4 576 B7R1.25 CC1(CF)CNC1 P47232 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.25 CC1(CF)CNC1 P50193 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.25 CC1(CI)CCO1 Q55856 [0,1,0,1,0,0|0,0,2]=4 579 B7R1.25 CC1(CI)COC1 G-5286 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.25 CC1(CN)CCC1 G-6314 [0,1,0,1,0,0|1,0,1]=4 581 B7R1.25 CC1(CN)CCC1 P44811 [0,1,0,1,0,0|1,0,1]=4 582 B7R1.25 CC1(CN)CCO1 Q55436 [0,1,0,1,0,0|0,0,2]=4 583 B7R1.25 CC1(CN)CNC1 G-5893 [0,1,0,1,0,0|2,0,0]=4 584 B7R1.25 CC1(CN)COC1 C-2245 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.25 CC1(CO)CCC1 P38399 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.25 CC1(CO)CCN1 P48829 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.25 CC1(CO)CCN1 P50194 [0,1,0,1,0,0|1,0,1]=4 588 B7R1.25 CC1(CO)CCN1 P50195 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.25 CC1(CO)CCO1 Q62788 [0,1,0,1,0,0|0,0,2]=4 590 B7R1.25 CC1(CO)CNC1 L21441 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.25 CC1(CO)CNC1 P48076 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.25 CC1(CS)COC1 Q51971 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.25 CCC1(C)CNC1 P47022 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.25 CCC1(C)CNC1 P47941 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.25 CNC1(C)CNC1 P43151 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.25 CNC1(C)CNC1 P48000 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.25 CNC1(C)COC1 L21548 [0,1,0,1,0,0|2,0,0]=4 598 B7R1.25 COC1(C)CNC1 D-2562 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.25 COC1(C)CNC1 P44994 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.12 CC1CC1C(=O)Cl O31612 [0,1,0,1,0,0|0,0,0]=2 601 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,1,0,1,0,0|0,0,0]=2 602 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,1,0,1,0,0|0,0,0]=2 603 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,1,0,1,0,0|0,0,0]=2 604 B7R1.12 O=C(O)C1CC1F Q52394 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F K10809 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33126 [0,1,0,1,0,0|1,0,0]=3 607 B7R1.12 O=C(O)[C@@H]1C[C@H]1F O33327 [0,1,0,1,0,0|1,0,0]=3 608 B7R1.12 O=C(O)[C@H]1C[C@@H]1F O33229 [0,1,0,1,0,0|1,0,0]=3 609 B7R1.12 O=C(O)[C@H]1C[C@H]1F K10802 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.16 C=C1CC(F)(F)C1 P49798 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,1,0,1,0,0|0,0,0]=2 612 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,1,0,1,0,0|0,0,0]=2 613 B7R1.16 CC1(C)CC(Br)C1 P45628 [0,1,0,1,0,0|1,0,1]=4 614 B7R1.16 CC1(C)CC(N)C1 L21546 [0,1,0,1,0,0|1,0,1]=4 615 B7R1.16 CC1(C)CC(N)C1 P44151 [0,1,0,1,0,0|1,0,1]=4 616 B7R1.16 CC1(C)CC(O)C1 L21464 [0,1,0,1,0,0|0,0,2]=4 617 B7R1.16 CC1(F)CC(N)C1 L13396 [0,1,0,1,0,0|1,0,1]=4 618 B7R1.16 CC1(F)CC(N)C1 P48242 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,1,0,1,0,0|0,0,0]=2 620 B7R1.16 CC1(N)CC(F)C1 P47217 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.16 CC1(N)CC(O)C1 G-7345 [0,1,0,1,0,0|0,0,2]=4 622 B7R1.16 CC1(O)CC(N)C1 P46958 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.16 CC1(O)CC(N)C1 P47986 [0,1,0,1,0,0|1,0,1]=4 624 B7R1.16 CC1CC(C)(C)N1 P45491 [0,1,0,1,0,0|1,0,1]=4 625 B7R1.16 CC1CC(C)(C)N1 P49429 [0,1,0,1,0,0|1,0,1]=4 626 B7R1.16 CN1CC(C)(N)C1 P47105 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.16 CN1CC(C)(N)C1 P48008 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.16 C[C@]1(F)C[C@@H](N)C1 P46979 [0,1,0,1,0,0|1,0,1]=4 629 B7R1.16 C[C@]1(F)C[C@H](N)C1 P46980 [0,1,0,1,0,0|1,0,1]=4 630 B7R1.16 C[C@]1(N)C[C@@H](N)C1 P50500 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.16 C[C@]1(N)C[C@H](O)C1 G-7346 [0,1,0,1,0,0|0,0,2]=4 632 B7R1.16 C[C@]1(N)C[C@H](O)C1 G-7347 [0,1,0,1,0,0|0,0,2]=4 633 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.16 C[C@]1(O)C[C@@H](N)C1 G-6305-01 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.16 C[C@]1(O)C[C@H](N)C1 G-6304 [0,1,0,1,0,0|1,0,1]=4 636 B7R1.16 C[C@]1(O)C[C@H](N)C1 P43966 [0,1,0,1,0,0|1,0,1]=4 637 B7R1.16 NC1CS(=O)(=O)C1 F-4830 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.16 NC1CS(=O)(=O)C1 O29822 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.16 O=C1CC(F)(F)C1 G-6519 [0,1,0,1,0,0|1,0,0]=3 640 B7R1.16 O=C1CS(=O)(=O)C1 H-8152 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.16 O=S1(=O)CC(Br)C1 Q59093 [0,1,0,1,0,0|2,0,0]=4 642 B7R1.16 O=S1(=O)CC(O)C1 L22277 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.20 CC(C)NC1CC1 M23094 [0,1,0,1,0,0|1,0,1]=4 644 B7R1.20 CC(O)CC1CC1 O29763 [0,1,0,1,0,0|0,0,2]=4 645 B7R1.20 O=C(Cl)CC1CC1 Q54347 [0,1,0,1,0,0|0,0,0]=2 646 B7R1.20 O=C(O)CC1CC1 F-4292 [0,1,0,1,0,0|0,0,0]=2 647 B7R1.20 O=C(O)CC1CO1 P45743 [0,1,0,1,0,0|1,0,0]=3 648 B7R1.17 CC1(C)CCC1=O Q54759 [0,1,0,1,0,0|0,0,0]=2 649 B7R1.17 CC1(C)CCC1O O32944 [0,1,0,1,0,0|0,0,2]=4 650 B7R1.17 CC1(C)CNC1=O P45241 [0,1,0,1,0,0|0,0,0]=2 651 B7R1.17 CC1(C)NCC1N P44080 [0,1,0,1,0,0|1,0,1]=4 652 B7R1.17 CC1(C)NCC1N P48748 [0,1,0,1,0,0|1,0,1]=4 653 B7R1.17 CC1(C)NCC1O K13397 [0,1,0,1,0,0|0,0,2]=4 654 B7R1.17 CC1(C)NCC1O P47335 [0,1,0,1,0,0|0,0,2]=4 655 B7R1.17 CC1(C)OCC1=O L22440 [0,1,0,1,0,0|0,0,0]=2 656 B7R1.17 CC1(C)OCC1Br Q52792 [0,1,0,1,0,0|0,0,2]=4 657 B7R1.17 CC1(C)OCC1I Q52793 [0,1,0,1,0,0|0,0,2]=4 658 B7R1.17 CC1(C)OCC1N Q52791 [0,1,0,1,0,0|0,0,2]=4 659 B7R1.17 CC1(C)OCC1O Q52790 [0,1,0,1,0,0|0,0,2]=4 660 B7R1.17 CC1(C)SCC1N Q58807 [0,1,0,1,0,0|0,1,1]=4 661 B7R1.17 CC1(C)SCC1N Q58808 [0,1,0,1,0,0|0,1,1]=4 662 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,1,0,1,0,0|0,1,1]=4 663 B7R1.18 CC(C)C1CCN1 P45191 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.18 CC(C)C1CCN1 P48185 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.18 CC(C)C1CNC1 P48267 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.18 CC(C)C1CNC1 P48289 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.19 CC(C)C1(O)CC1 L22368 [0,1,0,1,0,0|1,0,1]=4 668 B7R1.23 CC1(C)CC1CO P35038 [0,1,0,1,0,0|0,0,2]=4 669 B7R1.7 CCCNC1CC1 P36383 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.7 CCCNC1CC1 P41552 [0,1,0,1,0,0|1,0,1]=4 671 B7R1.7 CNCCC1CC1 P40835 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.7 NCCNC1CC1 O30035 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.7 OCCNC1CC1 P38598 [0,1,0,1,0,0|0,0,2]=4 674 B7R1.14 CC1(C)CCCN1 A-592 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.14 CC1(C)CCCN1 Q51927 [0,1,0,1,0,0|1,0,1]=4 676 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,1,0,0|1,0,1]=4 678 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,1,0,0|1,0,1]=4 679 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,1,0,0|1,0,1]=4 680 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,1,0,0|1,0,1]=4 681 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,1,0,0|1,0,1]=4 682 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,1,0,0|0,0,2]=4 684 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,1,0,0|1,0,1]=4 686 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,1,0,0|1,0,1]=4 690 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,1,0,0|1,0,1]=4 694 B7R1.26 CC(C)(N)C1CC1 O30329 [0,1,0,1,0,0|1,0,1]=4 695 B7R1.26 CC(C)(O)C1CC1 P43176 [0,1,0,1,0,0|1,0,1]=4 696 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,2,0,0|1,0,1]=4 697 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,2,0,0|1,0,1]=4 698 B7R2.13 C1=CC2OC2C1 Q61735 [0,0,0,2,0,0|2,0,0]=4 699 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,2,0,0|1,0,1]=4 700 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,2,0,0|1,0,1]=4 701 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,2,0,0|1,0,1]=4 702 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,2,0,0|1,0,1]=4 703 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,2,0,0|1,0,1]=4 704 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,2,0,0|1,0,1]=4 705 B7R2.3 BrC1CC12CC2 Q52700 [0,0,0,2,0,0|1,0,1]=4 706 B7R2.16 C1CC12CNC2 L18227 [0,0,0,2,0,0|2,0,0]=4 707 B7R2.16 C1CC12CNC2 P43788 [0,0,0,2,0,0|2,0,0]=4 708 B7R2.16 C1CC12CNC2 Q57095 [0,0,0,2,0,0|2,0,0]=4 709 B7R2.16 C1CC2(CC2)N1 Q53295 [0,0,0,2,0,0|1,0,1]=4 710 B7R2.16 C1CC2(CC2)N1 Q53296 [0,0,0,2,0,0|1,0,1]=4 711 B7R2.5 BrC12CC(C1)C2 P48918 [0,0,0,2,0,0|1,0,1]=4 712 B7R2.5 ClC12CC(C1)C2 P49894 [0,0,0,2,0,0|1,0,1]=4 713 B7R2.5 IC12CC(C1)C2 P48755 [0,0,0,2,0,0|1,0,1]=4 714 B7R2.5 NC12CC(C1)C2 I-9631 [0,0,0,2,0,0|1,0,1]=4 715 B7R2.5 NC12CC(C1)C2 P47276 [0,0,0,2,0,0|1,0,1]=4 716 B7R2.5 OC12CC(C1)C2 P45944 [0,0,0,2,0,0|0,0,2]=4 717 B7R2.18 OCC12CC1C2 Q55434 [0,0,0,2,0,0|0,0,2]=4