0 B7R0.6 CC(=O)OCC(C)O P36972 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(C)=CCC(=O)O P43260 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 CC(C)OCC(=O)O P38749 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 O=C(O)CCC(F)F S72753 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 C#CCNC(C)=O P36776 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 C#CCOC(N)=O O30954 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CC(C)CCON L20789 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CCNCC(=O)O P37534 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CCNCC(N)=O P36580 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 CNCCC(=O)O P36779 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 CNCCC(=O)O P39205 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CNCCC(C)O P38146 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CNCCC(N)=O P37896 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.9 CC(C)CNC(=O)CCl P38819 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.9 CCC(C)OCC(=O)O P34749 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.9 NCC(=O)NCC(F)F P51197 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(C)C(N)CN(C)C P36129 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.23 CC(C)C[C@@H](O)C(=O)O P39959 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.23 CC(C)\C=C(/F)C(=O)O F-4311 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 CN(C)C[C@H](N)C(=O)O P43074 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.29 CC(=O)CCC(F)(F)F F-4856 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.29 CC(=O)OC[B-](F)(F)F 10107 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.29 CC(C)(C)NCC(=O)O P37230 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.29 CC(C)(C)OCC(=O)O P41693 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.3 C=C1CCC(N)CC1 L19013 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.3 CC1C=CC(=O)CC1 K12331 [0,0,0,1,0,0|1,0,1]=3 39 B8R1.3 CC1CCC(=O)NC1 L13409 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.3 CC1CNC(=O)CN1 P35228 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.3 CC1COC(C)CN1 P42779 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.3 C[C@@H]1CNC(=O)CN1 L14453 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.3 C[C@H]1CNC(=O)CN1 L13879 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.3 NC1CCC(=O)CC1 P36686 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.3 NC1CCC(=O)NC1 C-3401 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.3 N[C@@H]1CCC(=O)NC1 L21492 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.3 N[C@H]1CCC(=O)NC1 L21629 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,1,0,0|1,0,1]=3 63 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.3 O=C1CCC(F)CC1 L21631 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.3 O=C1CCC(F)CN1 Q54421 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.20 CC1CC1CC(=O)O O29360 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.23 CC(=O)N1CC(=O)C1 P47097 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.23 CC(=O)N1CC(N)C1 G-6033 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.23 CC(=O)N1CC(N)C1 P44093 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.23 CC(=O)N1CC(O)C1 L21515 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.23 CC(C)C1CC(=O)N1 P45240 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.23 CC(C)C1CC(N)C1 P47290 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.23 CC(F)C1CC(=O)C1 P46360 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.23 CC(O)C1CC(=O)C1 P46310 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.23 CC1CC(C(=O)O)C1 L14063 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.23 CN(C)C1CC(=O)C1 P48380 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.23 CN1CC(C(=O)O)C1 C-2243 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 G-6829 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 G-6830 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.23 NC(=O)C1CC(N)C1 P48836 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.23 NC1CC(C(=O)O)C1 G-7780 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.23 NC1CC(C(=O)O)C1 P47808 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 C-2277-1 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 C-2278 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P44571 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.23 O=C(O)C1CC(Cl)C1 F-4598 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.23 O=C(O)C1CC(F)C1 D-2564 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 L21925 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 L14175 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 L21353 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.23 O=C1CC(C(F)F)C1 P48065 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.35 O=C(O)CCC1CC1 P37405 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.35 O=C(O)\C=C\C1CC1 L14104 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.51 CC1(C)CC(=O)CN1 Q56039 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.51 CC1(C)CC(=O)CN1 Q56040 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,0,0,1,0,0|1,0,0]=2 106 B8R1.51 CC1(C)CCC(=O)N1 P43256 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.51 CC1(C)CNC(=O)C1 P36730 [0,0,0,1,0,0|1,0,0]=2 108 B8R1.51 CC1(C)COC(=O)N1 C-3461 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.51 CC1(C)COC(=S)N1 O31778 [0,0,0,1,0,0|1,1,0]=3 110 B8R1.51 CC1(O)CNC(=O)C1 Q59288 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.51 CC1CC(C)(C)CN1 Q57412 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.51 C[C@@H]1COS(=O)(=O)O1 O34489 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.51 C[C@H]1COS(=O)(=O)O1 O34412 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.51 O=C1CCC(F)(F)C1 H-8755 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.69 CC1(C)CNC1(C)C P45928 [0,0,0,1,0,0|2,0,1]=4 116 B6R0.2 CC(=O)NC(C)C P50955 [0,0,0,0,1,0|1,0,0]=2 117 B6R0.2 CC(C)C[C@@H](C)O Q70085 [0,0,0,0,1,0|0,0,2]=3 118 B6R0.2 CC(N)CN(C)C P42731 [0,0,0,0,1,0|2,0,1]=4 119 B6R0.2 CC(O)CC(=O)O P38963 [0,0,0,0,1,0|2,0,0]=3 120 B6R0.2 CN(C)CC(N)=O P36935 [0,0,0,0,1,0|2,0,0]=3 121 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,0,0,0,1,0|2,0,0]=3 122 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,0,0,0,1,0|2,0,0]=3 123 B6R0.2 C[C@@H](N)CN(C)C P38236 [0,0,0,0,1,0|2,0,1]=4 124 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,0,0,1,0|2,0,0]=3 125 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,0,0,0,1,0|2,0,0]=3 126 B6R0.2 C[C@H](N)CN(C)C P35926 [0,0,0,0,1,0|2,0,1]=4 127 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,0,0,1,0|2,0,0]=3 128 B8R0.28 CC(=O)\C=C\CC(C)C O31440 [0,0,0,0,0,1|1,0,0]=2 129 B8R0.28 CC(C)CNCC(=O)O P38861 [0,0,0,0,0,1|2,0,0]=3 130 B8R0.28 CN(C)C\C=C\C(=O)O K12319 [0,0,0,0,0,1|3,0,0]=4 131 B5R0.1 CC(O)CON M15150 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CNCC(C)O P40721 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 CNC[C@@H](C)O P41738 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 CNC[C@H](C)O P36531 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 COCC(C)Br O32164 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 O=C(O)CCF A-698 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.2 C=CC(=O)CC(C)C L19279 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.2 CCC(=O)CC(C)=O O31794 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.2 CC[C@H](N)CC(=O)O M23203 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.3 CCCNC(=O)CN P36648 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.3 CCOCC(O)CN L19068 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 CC\C=C\C(=O)OC Q70108 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.3 CNC(=O)CCCN P40550 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.3 CNCCC(=O)NC P37767 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.3 CNCCC(=O)OC P36826 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.4 CC(=O)NCCCN P38199 [1,1,0,0,0,0|1,0,0]=3 149 B7R0.4 CNCCNC(C)=O P41559 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.4 COCCCC(=O)O P39031 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.4 NCCOCC(=O)O P35961 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.5 CC(=O)N(C)CCN P35211 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.5 CCC[C@H](O)C(=O)O P51274 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.8 CNCCC(C)(C)O M22918 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.16 CC(C(=O)O)N(C)C P40714 [0,1,0,0,1,0|2,0,0]=4 156 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [0,1,0,0,1,0|1,0,0]=3 157 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O P39382 [0,1,0,0,1,0|2,0,0]=4 158 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O Q70089 [0,1,0,0,1,0|2,0,0]=4 159 B9R0.7 CC(C)CC[C@@H](N)C(=O)O P41429 [0,1,0,0,0,1|2,0,0]=4 160 B9R0.7 CC(C)CC[C@H](N)C(=O)O M22613 [0,1,0,0,0,1|2,0,0]=4 161 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68973 [0,1,0,0,0,1|2,0,0]=4 162 B9R0.53 CC(C)C[C@@H](N)CC(=O)O Q68975 [0,1,0,0,0,1|2,0,0]=4 163 B9R0.53 CC(C)C[C@H](N)CC(=O)O P39532 [0,1,0,0,0,1|2,0,0]=4 164 B9R0.53 CC(C)C[C@H](N)CC(=O)O Q68972 [0,1,0,0,0,1|2,0,0]=4 165 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68967 [0,2,0,0,0,0|2,0,0]=4 166 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O Q68970 [0,2,0,0,0,0|2,0,0]=4 167 B9R0.23 COC(=O)[C@H](N)CC(C)C P37232 [0,2,0,0,0,0|1,0,0]=3 168 B9R0.23 COC(=O)[C@H](O)CC(C)C P42599 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.42 COC(=O)C[C@H](N)C(C)C Q68995 [0,2,0,0,0,0|1,0,0]=3 170 B9R0.11 CC(C)CC(C)(N)C(=O)O P41237 [0,2,0,0,0,0|2,0,0]=4 171 B9R0.11 CC(C)C[C@](C)(N)C(=O)O Q66110 [0,2,0,0,0,0|2,0,0]=4 172 B9R0.39 CC(C)CC(CN)C(=O)O P43094 [0,2,0,0,0,0|2,0,0]=4 173 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69039 [0,2,0,0,0,0|2,0,0]=4 174 B9R0.39 CC(C)C[C@@H](CN)C(=O)O Q69042 [0,2,0,0,0,0|2,0,0]=4 175 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69043 [0,2,0,0,0,0|2,0,0]=4 176 B9R0.39 CC(C)C[C@H](CN)C(=O)O Q69046 [0,2,0,0,0,0|2,0,0]=4 177 B9R0.39 CN[C@@H](CC(C)C)C(=O)O P36732 [0,2,0,0,0,0|2,0,0]=4 178 B9R0.39 CN[C@H](CC(C)C)C(=O)O F-4647 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.57 CC(C)(C)CC(N)C(=O)O P42786 [0,2,0,0,0,0|2,0,0]=4 180 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O P35494 [0,2,0,0,0,0|2,0,0]=4 181 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O P37339 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68917 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O Q68920 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O Q68921 [0,2,0,0,0,0|2,0,0]=4 185 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|1,0,0]=3 186 B7R1.2 CC1CNC(=O)C1 L13710 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.2 CC1CNC(=O)O1 P51279 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [1,0,0,1,0,0|1,0,0]=3 189 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.2 NC1CNC(=O)C1 G-6478 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 NC1CNC(=O)C1 L13560 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.2 N[C@@H]1CNC(=O)C1 L13184 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.2 N[C@@H]1CNC(=O)C1 P44245 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.2 N[C@H]1CNC(=O)C1 L13183 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 O=C1CC(O)CN1 P39299 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.2 O=C1CCC(Br)C1 Q56972 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.2 O=C1CCC(F)C1 Q55724 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.2 O=C1CCC(O)C1 H-8145 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.2 O=C1C[C@@H](S)CN1 I-9138 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 BrC1=CCCCC1 N24288 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 BrC1CCCOC1 O33555 [1,0,0,1,0,0|1,0,1]=4 205 B7R1.3 CC1COCCN1 B-1060 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 CC1COCCN1 O28936 [1,0,0,1,0,0|1,0,1]=4 207 B7R1.3 C[C@@H]1CCCNC1 Q55825 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 C[C@@H]1COCCN1 B-1058 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.3 C[C@@H]1COCCN1 P34848 [1,0,0,1,0,0|1,0,1]=4 210 B7R1.3 C[C@H]1CCCNC1 Q55824 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 C[C@H]1COCCN1 B-1059 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.3 C[C@H]1COCCN1 P42980 [1,0,0,1,0,0|1,0,1]=4 213 B7R1.3 ClC1CCCOC1 Q57646 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.3 N=C1NCCCO1 L19177 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 NC1CCCOC1 I-9177 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.3 NC1CCCOC1 Q56350 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.3 N[C@@H]1CCCOC1 I-9746 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.3 O=C1CCCNC1 A-184 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 O=C1CCCOC1 G-6070 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 O=C1CCCSC1 G-5937 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 O=C1CCOCC1 B-1770 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.3 O=C1CCSCC1 C-2949 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 O=C1CNCCO1 O28295 [1,0,0,1,0,0|1,0,0]=3 224 B7R1.3 O=C1COCCN1 B-1038 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.3 OC1CCCOC1 G-6220 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.3 O[C@@H]1CCCOC1 P44487 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.3 O[C@H]1CCCOC1 P51230 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.3 SC1CCCOC1 Q57701 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.7 CNCCC1CC1 P40835 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.10 CCC1CC(=O)C1 P44071 [1,0,0,1,0,0|1,0,0]=3 232 B7R1.10 COC1CC(=O)C1 F-4668 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.10 NCC1CC(=O)C1 C-2921 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.10 O=C1CC(CBr)C1 G-6631 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.10 O=C1CC(CBr)O1 Q57248 [1,0,0,1,0,0|1,0,0]=3 236 B7R1.10 O=C1CC(CCl)C1 L13121 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.10 O=C1CC(CF)C1 P44872 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.10 O=C1CC(CO)C1 D-2565 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.10 O=C1CC(CO)N1 P45245 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.10 O=CC1CC(F)C1 P47244 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.12 CC1CC1C(=O)Cl O31612 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.14 CC1(C)CCNC1 I-9310 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.14 CC1(C)CCNC1 Q56449 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.14 CC1(N)CCOC1 F-4690 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.17 CC1(C)CCC1=O Q54759 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.17 CC1(C)CNC1=O P45241 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.17 CC1(C)OCC1=O L22440 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.18 CC(=O)C1CCC1 Q54751 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.18 CC(=O)C1CNC1 P44065 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.18 CC(=O)C1CNC1 P48871 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.18 CC(=O)C1CNC1 P48872 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.18 CC(=O)C1COC1 Q56096 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.18 CC(=O)N1CCC1 P45596 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.18 CC(C)C1CCN1 P45191 [1,0,0,1,0,0|1,0,1]=4 259 B7R1.18 CC(C)C1CCN1 P48185 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.18 CC(C)C1CNC1 P48267 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.18 CC(C)C1CNC1 P48289 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.18 NC(=O)C1CCC1 O34470 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.18 NC(=O)N1CCC1 P45464 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.20 O=C(Cl)CC1CC1 Q54347 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.20 O=C(O)CC1CC1 F-4292 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,0,0,1,1,0|0,0,0]=2 267 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,0,0,1,1,0|1,0,0]=3 268 B7R1.16 CC1(C)CC(Br)C1 P45628 [0,0,0,1,1,0|1,0,1]=4 269 B7R1.16 CC1(C)CC(N)C1 L21546 [0,0,0,1,1,0|1,0,1]=4 270 B7R1.16 CC1(C)CC(N)C1 P44151 [0,0,0,1,1,0|1,0,1]=4 271 B7R1.16 CC1(C)CC(O)C1 L21464 [0,0,0,1,1,0|0,0,2]=4 272 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,0,0,1,1,0|1,0,0]=3 273 B7R1.16 CC1CC(C)(C)N1 P45491 [0,0,0,1,1,0|1,0,1]=4 274 B7R1.16 CC1CC(C)(C)N1 P49429 [0,0,0,1,1,0|1,0,1]=4 275 B7R1.16 O=C1CC(F)(F)C1 G-6519 [0,0,0,1,1,0|2,0,0]=4 276 B9R1.35 CC(=O)N1CCC(I)C1 Q57221 [0,0,0,1,0,1|2,0,0]=4 277 B9R1.35 CC(=O)N1CCC(N)C1 L14137 [0,0,0,1,0,1|2,0,0]=4 278 B9R1.35 CC(=O)N1CC[C@@H](N)C1 P43139 [0,0,0,1,0,1|2,0,0]=4 279 B9R1.35 CC(=O)N1CC[C@@H](O)C1 G-5907 [0,0,0,1,0,1|2,0,0]=4 280 B9R1.35 CC(=O)N1CC[C@H](N)C1 P43073 [0,0,0,1,0,1|2,0,0]=4 281 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 Q52337 [0,0,0,1,0,1|2,0,0]=4 282 B9R1.49 CN1CCNC(=O)CC1 O34314 [0,0,0,1,0,1|2,0,0]=4 283 B9R1.53 C=C1CC(OC(C)=O)C1 P46928 [0,0,0,1,0,1|0,0,2]=4 284 B9R1.53 CC(=O)NC1CC(N)C1 L14306 [0,0,0,1,0,1|2,0,0]=4 285 B9R1.53 CC(=O)NC1CC(N)C1 P49715 [0,0,0,1,0,1|2,0,0]=4 286 B9R1.53 CC(=O)OC1CC(=O)C1 G-6514 [0,0,0,1,0,1|1,0,1]=4 287 B9R1.53 CC(=O)O[C@H]1C[C@@H](O)C1 P47617 [0,0,0,1,0,1|1,0,0]=3 288 B9R1.53 CC(=O)O[C@H]1C[C@H](O)C1 P47529 [0,0,0,1,0,1|1,0,0]=3 289 B9R1.53 CC(=O)SC1CC(F)C1 P46793 [0,0,0,1,0,1|1,1,0]=4 290 B9R1.53 CC1CC(CC(=O)O)C1 P49313 [0,0,0,1,0,1|2,0,0]=4 291 B9R1.53 CC1CN(CC(=O)O)C1 P47055 [0,0,0,1,0,1|2,0,0]=4 292 B9R1.53 CC1CN(CC(=O)O)C1 P47914 [0,0,0,1,0,1|2,0,0]=4 293 B9R1.66 C=C1CCOC(C)(C)C1 Q54981 [0,0,0,1,0,1|2,0,0]=4 294 B9R1.66 CC1(C)CC(=O)CCN1 O34587 [0,0,0,1,0,1|1,0,0]=3 295 B9R1.66 CC1(C)CC(=O)CCO1 F-4698 [0,0,0,1,0,1|1,0,0]=3 296 B9R1.66 CC1(C)COCC(=O)C1 Q61431 [0,0,0,1,0,1|0,0,0]=2 297 B9R1.85 O=C(O)COCC1CC1 P39397 [0,0,0,1,0,1|1,0,0]=3 298 B9R1.166 CC1(C)CCC1C(=O)O P45623 [0,0,0,1,0,1|2,0,0]=4 299 B9R1.166 CC1(C)CN[C@@H]1C(=O)O L13876 [0,0,0,1,0,1|2,0,0]=4 300 B9R1.166 CC1(C)CN[C@H]1C(=O)O P46143 [0,0,0,1,0,1|2,0,0]=4 301 B9R1.166 CC1(C)OCC1C(=O)O Q52795 [0,0,0,1,0,1|2,0,0]=4 302 B9R1.1 C#CC1CCC(=O)CC1 Q53472 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.1 CNC1CCC(=O)CC1 P41929 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.1 CNC1CCS(=O)CC1 Q57925 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.1 CNC1CCS(=O)CC1 Q57926 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.1 COC1CCC(=O)CC1 P34719 [0,1,0,1,0,0|1,0,0]=3 307 B9R1.1 N#CC1CCC(=O)CC1 O33986 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.1 NCC1CCC(=O)NC1 F-4482 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.1 O=C1CCC(CBr)CN1 L20956 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.1 O=C1CCC(CO)CC1 O32541 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.1 O=C1CCC(CO)CN1 H-8442 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.1 O=C1CO[C@@H](CO)CN1 Q65251 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.1 O=C1CO[C@H](CO)CN1 Q65252 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.10 C=C1CCC(C)(O)CC1 P43800 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.10 CC1(C)CC=C(Br)CC1 N24756 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.10 CC1(C)CCC(=O)NC1 Q63050 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.10 CC1(C)CCC(N)=NC1 Q65224 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.10 CC1(C)CNC(=O)CN1 L13881 [0,1,0,1,0,0|1,0,0]=3 319 B9R1.10 CC1(N)CCC(=O)CC1 P48980 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.10 CC1(N)CCS(=O)CC1 Q57987 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.10 CC1(O)CCC(=O)CC1 D-2566 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.10 O=C1CCC(F)(F)CC1 G-7873 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.10 O=C1CCC(F)(F)CN1 I-9477 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.55 CC(C)C1OC(C)C1N Q55960 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.67 CC(=O)OC1CCC1O P49892 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.69 CC1CC(=O)CCC1O P44912 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.69 CC1CCC(=O)OC1=O Q61441 [0,1,0,1,0,0|0,0,1]=3 329 B9R1.69 CC1CN(C)CCC1=O Q65019 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.69 CN1CC(N)CCC1=O C-3402 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.69 CN1C[C@@H](N)CCC1=O Q64391 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.69 CN1C[C@H](N)CCC1=O Q64392 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.69 C[C@@H]1CC(=O)CC[C@H]1O P49131 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.69 C[C@@H]1CCC(=O)CN1C Q56726 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 A-475 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 P43921 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.69 C[C@@H]1CN(C)CCC1=O Q65018 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 P49014 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.69 C[C@H]1CCC(=O)CN1C Q56727 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.69 C[C@H]1CN(C)C(=O)CN1 A-476 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.69 C[C@H]1CN(C)C(=O)CN1 L13867 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.69 C[C@H]1CN(C)CCC1=O Q65017 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P49725 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.80 COC(=O)CNC1CC1 L20586 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.80 COC(=O)CNC1CC1 P36966 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.80 COC(=O)\C=C\C1CC1 O29404 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.80 O=C(CCl)NCC1CC1 M23153 [0,1,0,1,0,0|1,0,0]=3 348 B9R1.82 CCC(=O)N1CC(N)C1 O29913 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.82 CNC(=O)C1CC(O)C1 P49829 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.82 COC(=O)C1CC(Br)C1 H-8052 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.82 COC(=O)C1CC(Cl)C1 G-6592 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.82 COC(=O)C1CC(F)C1 P47896 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.82 COC(=O)C1CC(N)C1 P49386 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.82 COC(=O)C1CC(N)C1 Q52519 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.82 COC(=O)C1CC(O)C1 A-434 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.82 COC(=O)C1CC(O)C1 F-4098 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.82 COC(=O)C1CC(O)C1 F-4099 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.82 COC(=O)N1CC(N)C1 P45916 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.82 COC(=O)N1CC(N)C1 P47078 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.82 COC(=O)N1CC(O)C1 L21408 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P47452 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.82 COC(=O)[C@H]1C[C@@H](F)C1 P50695 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 G-5199 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 G-7774 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.82 COC(=O)[C@H]1C[C@H](F)C1 P44032 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 G-5470 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P44094 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.82 O=C(CCl)N1CC(O)C1 P47737 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.84 CC(=O)NCC1CNC1 P42074 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.84 CC(C)COC1CNC1 P48873 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.84 CC(C)COC1CNC1 P49001 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.84 O=C(O)CCC1CCC1 P34709 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.84 O=C(O)CCC1CCO1 Q58424 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.84 O=C([O-])CCC1CCO1 Q57244 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.86 CCC1CC1CC(=O)O O32172 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.95 C#CC1CN(C(C)=O)C1 P46893 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.95 CC(=O)N1CC(CN)C1 P47074 [0,1,0,1,0,0|1,0,0]=3 378 B9R1.95 CC(=O)N1CC(CO)C1 P48310 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.95 CCC1CC(C(=O)O)C1 P45348 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.95 CNC1CC(C(=O)O)C1 P48460 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.95 COC1CC(C(=O)O)C1 F-4385 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 G-7356 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 G-7357 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.95 NCC1CC(C(=O)O)C1 L14512 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.95 NCC1CC(C(=O)O)C1 P48866 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48252 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 P48255 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.95 NC[C@H]1C[C@H](C(=O)O)C1 P47233 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.95 O=C(O)C1CC(CBr)C1 P49897 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.95 O=C(O)C1CC(CF)C1 P47785 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.95 O=C(O)C1CC(CO)C1 D-2561 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.95 O=C(O)[C@H]1C[C@@H](CO)C1 P47160 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.95 O=C(O)[C@H]1C[C@H](CO)C1 P47223 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.121 CC1(CO)COC1(C)C Q62786 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.125 CC1(CN)CCC(=O)N1 Q65054 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.125 CC1(CO)CCC(=O)N1 Q65055 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.125 CC1(CO)CNC(=O)C1 Q61575 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.133 CC1(C)CC(CN)CO1 Q62977 [0,1,0,1,0,0|1,0,1]=4 399 B9R1.138 CC1(C)CNC(=O)C1O Q61925 [0,1,0,1,0,0|1,0,0]=3 400 B9R1.36 CC1CC(C)(C)CC1=O Q61089 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.38 CC1(C)NC(=O)CC1O Q64205 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.112 NC(=O)C(N)CC1CC1 P50523 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.112 NC(CC1CC1)C(=O)O O28074 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.112 N[C@@H](CC1CC1)C(=O)O O28950 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.112 N[C@H](CC1CC1)C(=O)O O28870 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.112 O=C(O)[C@@H](O)CC1CC1 P38965 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.112 O=C(O)[C@H](O)CC1CC1 P40522 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.137 NC(CC(=O)O)C1CC1 P38780 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.152 CC1CC(C)(C(=O)O)C1 P45152 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.152 CC1CC(N)(C(=O)O)C1 P47365 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.164 CC(=O)C1CC(F)(F)C1 L14840 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.164 CC1(C)C=C(C(=O)O)C1 G-5685 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.164 CC1(C)CC(C(=O)O)C1 G-7355 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.164 CC1(F)CC(C(=O)O)C1 L13213 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.164 CC1(O)CC(C(=O)O)C1 L13034 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 L18045 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 L21324 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 I-9401 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.164 C[C@]1(O)C[C@H](C(=O)O)C1 G-6555 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 P50099 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.51 CC(C)(C)C1CC(=O)C1 O33223 [0,1,0,1,0,0|1,0,0]=3 422 B9R2.19 O=C1CCC2CC1C2 P44051 [0,0,0,2,0,0|1,0,0]=3 423 B9R2.19 O=C1NCC2CC1C2 K16109 [0,0,0,2,0,0|1,0,0]=3 424 B9R2.19 O=C1NCC2CC1N2 P44085 [0,0,0,2,0,0|2,0,0]=4 425 B9R2.21 O=C1CC2CC2CN1 Q53445 [0,0,0,2,0,0|1,0,0]=3 426 B9R2.21 O=C1CCC2CC2N1 Q53446 [0,0,0,2,0,0|1,0,0]=3 427 B9R2.38 CC12CC(=O)CC1C2 Q63055 [0,0,0,2,0,0|1,0,0]=3 428 B9R2.41 O=C1CC(C2CC2)C1 L14529 [0,0,0,2,0,0|1,0,0]=3 429 B9R2.145 CC(=O)C12CC(C1)C2 P48562 [0,0,0,2,0,0|1,0,0]=3 430 B9R2.145 NC(=O)C12CC(C1)C2 P49858 [0,0,0,2,0,0|2,0,0]=4 431 B9R2.145 O=C(O)C12CC(C1)C2 L13918 [0,0,0,2,0,0|2,0,0]=4 432 B9R2.139 O=C1CC2(CC2)CO1 O33397 [0,0,0,2,0,0|0,0,0]=2 433 B9R2.139 O=C1CCC2(CC2)C1 Q62619 [0,0,0,2,0,0|1,0,0]=3 434 B9R2.143 O=C(O)C1CC12CC2 L18059 [0,0,0,2,0,0|2,0,0]=4 435 B5R0.5 CC(C)S(N)=O O29745 [0,0,0,0,2,0|2,0,0]=4 436 B5R0.5 CC(N)C(N)=O P37963 [0,0,0,0,2,0|2,0,0]=4 437 B5R0.5 CC(O)C(N)=O P39940 [0,0,0,0,2,0|2,0,0]=4 438 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,0,0,0,2,0|2,0,0]=4