0 B8R1.1 C#C[C@@H]1COC(=O)N1 66220 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 COC1=CC(=O)CC1 63697 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.1 COC1CCC(N)C1 33463 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 COC1CCC(O)C1 P19125 [0,0,0,0,0,0|2,0,2]=4 14 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.1 NCC1CCC(F)C1 72980 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.1 NCC1CCC(O)C1 72949 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,0,0,0,0,0|1,0,0]=1 34 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,0,0,0,0,0|1,0,0]=1 36 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 BrC[C@H]1CCOC1 84096 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 CC[C@H]1CCCN1 F16886 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.1 CC[C@H]1CCNC1 P14869 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.1 CN[C@H]1CCOC1 P18534 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 CN[C@H]1CCOC1 P18535 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 CO[C@H]1CCNC1 26935 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 CO[C@H]1CCNC1 P10862 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 FC[C@H]1CCCN1 37688 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.1 FC[C@H]1CCCN1 P11073 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 FC[C@H]1CCNC1 P18731 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 N#C[C@@H]1CCCO1 31513 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.1 NCC1CCCC1 P10292 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 NC[C@H]1CCCN1 83159 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 NC[C@H]1CCCO1 83007 [1,0,0,0,0,0|1,0,1]=3 57 B7R1.1 NC[C@H]1CCCO1 S11127 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.1 NC[C@H]1CCOC1 37316 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 NC[C@H]1CCOC1 68891 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 NC[C@H]1CCOC1 P12031 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 OC[C@H]1CCCO1 66575 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,0,0,0|0,0,2]=3 68 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,0,0,0|0,0,2]=3 72 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.2 NC1=CC(=O)CC1 90005 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.2 O=C1C=C(Br)CC1 W19329 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.2 O=C1C=C(I)CC1 A12694 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,0,0,0|1,0,2]=4 88 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,0,0,0|1,0,2]=4 89 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.7 CCN[C@H]1CCN(C)C1 38278 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [0,1,0,0,0,0|0,0,2]=3 96 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 60171 [0,1,0,0,0,0|2,1,0]=4 105 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.133 CC1(C)CC[C@H](CO)O1 72662 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.133 CC1(C)CC[C@H](CO)O1 93336 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.133 NC[C@H]1CCS(=O)(=O)C1 P19122 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.133 O=S1(=O)CC[C@H](CO)C1 AT13046 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,0,1,0,0,0|2,0,0]=3 116 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,0,1,0,0,0|1,0,0]=2 117 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.3 C=C(CCl)OCOC P10081 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.3 C=CC(=O)NCCC AB9941 [0,0,1,0,0,0|1,0,2]=4 123 B7R0.3 CCC(=O)OCCO A11774 [0,0,1,0,0,0|1,0,0]=2 124 B7R0.3 CNCCC(=O)OC AB11809 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.3 COC(=O)CCCI F19766 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.4 CC(=O)CCCCBr O11558 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.4 CC(=O)OCCCBr C75766 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.4 CCCOCC(=O)O AC1647 [0,0,1,0,0,0|1,0,0]=2 129 B7R0.4 CCNCCC(N)=O AT24732 [0,0,1,0,0,0|2,0,0]=3 130 B7R0.4 CNCCCC(N)=O 21232 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.4 COCCCC(=O)O 78063 [0,0,1,0,0,0|1,0,0]=2 132 B7R0.4 NCCNCC(=O)O FD21628 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.4 O=C([O-])COCCO A11454 [0,0,1,0,0,0|2,0,1]=4 134 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,0,0,1,0,0|2,0,1]=4 135 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,1,0,0|2,0,0]=3 136 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,1,0,0|1,0,0]=2 137 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,1,0,0|1,0,0]=2 138 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,1,0,0|1,0,0]=2 139 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,1,0,0|1,0,0]=2 140 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,1,0,0|1,0,2]=4 141 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,1,0,0|2,0,1]=4 142 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,1,0,0|2,0,1]=4 143 B9R2.68 C1CC2CNCC1O2 64984 [0,0,0,1,0,0|2,0,1]=4 144 B9R2.110 NC12CCC(CC1)C2 W16245 [0,0,0,1,0,0|2,0,1]=4 145 B9R2.139 N[C@H]1CCC2(CC2)C1 D84821 [0,0,0,1,0,0|2,0,1]=4 146 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,1,0,0|2,0,0]=3 147 B9R2.139 O=C1CCC2(CC2)N1 80157 [0,0,0,1,0,0|1,0,0]=2 148 B9R2.139 O=C1NCC2(CC2)O1 AT13765 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.8 CN1CC[C@@H]1CN P15857 [0,0,0,0,1,0|3,0,0]=4 150 B7R1.8 CN1CC[C@@H]1CO 63438 [0,0,0,0,1,0|3,0,0]=4 151 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,0,0,0,1,0|3,0,0]=4 152 B7R1.8 CN1CC[C@@H]1CO P18351 [0,0,0,0,1,0|3,0,0]=4 153 B7R1.8 CO[C@H]1CCC1=O P17941 [0,0,0,0,1,0|1,0,0]=2 154 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,0,0,0,1,0|1,0,0]=2 155 B7R1.10 C=C1CC(CO)C1 D79070 [0,0,0,0,1,0|3,0,0]=4 156 B7R1.10 COC1CC(=O)C1 P12741 [0,0,0,0,1,0|2,0,0]=3 157 B7R1.10 O=C1CC(CBr)C1 39031 [0,0,0,0,1,0|2,0,0]=3 158 B7R1.10 O=C1CC(CCl)C1 P11243 [0,0,0,0,1,0|2,0,0]=3 159 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,0,0,0,1,0|2,0,0]=3 160 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,0,0,0,0,1|1,0,2]=4 162 B9R1.1 CON1CCC(=O)CC1 92073 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.1 NCC1CCC(=O)CC1 56684 [0,0,0,0,0,1|2,0,0]=3 164 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,0,0,0,0,1|2,0,0]=3 165 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,0,0,0,0,1|2,0,0]=3 167 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,0,0,0,0,1|2,0,1]=4 172 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,0,0,0,0,1|1,0,1]=3 173 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,0,0,0,0,1|2,0,0]=3 174 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,0,0,0,0,1|1,0,0]=2 176 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,0,0,0,0,1|1,0,0]=2 179 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,0,0,0,0,1|2,0,1]=4 180 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,0,0,0,0,1|2,0,1]=4 181 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,0,0,0,0,1|2,0,1]=4 182 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,0,0,0,0,1|2,0,0]=3 183 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,0,0,0,0,1|2,0,0]=3 185 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,0,0,0,0,1|2,0,0]=3 187 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,0,0,0,0,1|2,0,0]=3 188 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,1,0,0,0|1,0,1]=4 189 B6R0.1 CCNC(=O)CO 79517 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,1,0,0,0|1,0,1]=4 191 B6R0.1 CC[C@H](S)CCO D84734 [1,0,1,0,0,0|0,1,1]=4 192 B6R0.1 CNC(=O)CCN C75423 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.1 CNC(=O)CCO AC6610 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.1 CNC(=O)CCS A11187 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.1 COC(=O)OCCl R10013 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.1 NCC[C@H](O)CO F51073 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.2 CC(C)CC(N)=O C75541 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.2 CC(C)NC(N)=O 44261 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.4 CC(=O)CCC=O P17049 [1,0,1,0,0,0|0,0,2]=4 200 B6R0.4 CC(=O)CCCBr 25631 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.4 CC(=O)OCCN W11955 [1,0,1,0,0,0|1,0,0]=3 202 B6R0.4 CC(C)CCC=O 31143 [1,0,1,0,0,0|1,0,0]=3 203 B6R0.4 CCOCC(=O)O D73862 [1,0,1,0,0,0|1,0,0]=3 204 B6R0.4 NC(=O)OCCO A11395 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.4 NCCCC(N)=O C72206 [1,0,1,0,0,0|2,0,0]=4 206 B6R0.6 CC\C=C/CCI 98107 [1,0,1,0,0,0|2,0,0]=4 207 B6R0.6 OCCCCCO D77911 [1,0,1,0,0,0|1,0,1]=4 208 B6R0.9 CCC(C#N)CC AC1599 [1,0,1,0,0,0|1,0,1]=4 209 B6R1.2 C[C@H]1CCNC1 69327 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 C[C@H]1CCSC1 70016 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 NC1=NCCO1 53947 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 O=C1CNCN1 25530 [2,0,0,0,0,0|2,0,0]=4 213 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O FD21836 [0,1,1,0,0,0|2,0,0]=4 214 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O C90303 [0,1,1,0,0,0|2,0,0]=4 215 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,1,1,0,0,0|1,0,0]=3 216 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,1,0,0,0|2,0,0]=4 217 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,1,0,0,0|2,0,0]=4 218 B8R0.19 COC(=O)N[C@@H](C)CN D95526 [0,1,1,0,0,0|2,0,0]=4 219 B8R0.23 CC(=O)O[C@@H](C)C(=O)O T70471 [0,1,1,0,0,0|1,0,1]=4 220 B8R0.23 CC(=O)O[C@@H](C)C(C)=O H10680 [0,1,1,0,0,0|0,0,1]=3 221 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [0,1,1,0,0,0|1,0,1]=4 222 B8R0.24 CC[C@H](C)OS(C)(=O)=O 38073 [0,1,1,0,0,0|1,0,0]=3 223 B8R0.34 C#CC(C)(C)OC(C)=O A10037 [0,1,1,0,0,0|0,0,2]=4 224 B8R0.1 CCCC(=O)OCCO D81566 [0,1,1,0,0,0|1,0,0]=3 225 B8R0.1 CCNC(=O)NCCN AR2426 [0,1,1,0,0,0|2,0,0]=4 226 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,1,0,0,0|0,0,2]=4 227 B8R0.1 CCOC(=O)CCCO C91677 [0,1,1,0,0,0|2,0,0]=4 228 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,1,0,0,0|2,0,0]=4 229 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,1,0,0,0|2,0,0]=4 230 B8R0.6 COC(=O)COCCO D84694 [0,1,1,0,0,0|2,0,0]=4 231 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,1,1,0,0,0|1,0,0]=3 232 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,1,0,0,0|1,0,0]=3 234 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.7 C#CCOCCC(=O)O 78672 [0,1,1,0,0,0|0,0,2]=4 236 B8R0.7 COCCNCC(=O)O W16095 [0,1,1,0,0,0|1,0,0]=3 237 B8R0.7 NCCCCCC(=O)O P19609 [0,1,1,0,0,0|0,0,0]=2 238 B8R0.7 NCCCCCC(N)=O AC6029 [0,1,1,0,0,0|1,0,0]=3 239 B8R0.7 O=C([O-])CCCCCO Y14708 [0,1,1,0,0,0|0,0,1]=3 240 B8R0.21 CCCCCS(N)(=O)=O P18656 [0,1,1,0,0,0|1,0,1]=4 241 B8R0.21 NCCCCP(=O)(O)O C10655 [0,1,1,0,0,0|2,0,0]=4 242 B8R0.28 CC(=O)NCCC(C)C S10520 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.28 CC(=O)OCCC(=O)O C77559 [0,1,1,0,0,0|1,0,1]=4 244 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,1,1,0,0,0|0,0,2]=4 245 B8R0.28 CC(C)CNCC(=O)O W10796 [0,1,1,0,0,0|1,0,0]=3 246 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [1,1,0,0,0,0|1,0,1]=4 247 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [1,1,0,0,0,0|1,0,1]=4 248 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.7 C[C@H](N)C1CCCC1 66137 [1,1,0,0,0,0|1,0,1]=4 251 B8R1.7 C[C@H](N)C1CCCC1 83604 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.8 BrCCC1CCCC1 C78009 [1,1,0,0,0,0|1,0,1]=4 253 B8R1.8 CCN[C@H]1CCNC1 T72394 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.8 CCN[C@H]1CCOC1 F14260 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.8 CNC[C@H]1CCCN1 P18036 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.8 COC[C@H]1CCCN1 11152 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.8 COC[C@H]1CCCN1 11153 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.8 COC[C@H]1CCCN1 71289 [1,1,0,0,0,0|1,0,1]=4 260 B8R1.8 COC[C@H]1CCNC1 72010 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.8 COC[C@H]1CCNC1 P10622 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.8 COC[C@H]1CCNC1 P12588 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.8 COC[C@H]1CCNC1 P15249 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.8 COC[C@H]1CCNC1 P15255 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.8 ClCCC1CCCC1 AC1057 [1,1,0,0,0,0|1,0,1]=4 266 B8R1.8 NCCC1OCCO1 T71082 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.8 OCCC1OCCO1 W16263 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.8 OCC[C@H]1CCCN1 50275 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.8 OCC[C@H]1CCCN1 62964 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.52 C[C@]1(CN)CCCO1 P18524 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [1,1,0,0,0,0|1,0,1]=4 274 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.51 CC1(C)CCC(=O)C1 55299 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.51 CC1(C)CCC(=O)N1 30720 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.51 CC1(C)CCC(=O)O1 48435 [1,1,0,0,0,0|0,0,0]=2 278 B8R1.51 CC1(C)CNC(=O)O1 90053 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.51 CC1(C)COC(=O)C1 82056 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.51 CC1(C)COC(=O)N1 38028 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [1,1,0,0,0,0|1,0,0]=3 283 B8R1.51 C[C@H]1COS(=O)(=O)O1 Y11245 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.6 CCCC1CC(=O)C1 D96728 [0,1,0,0,1,0|1,0,0]=3 285 B8R1.6 N#CCC1CC(=O)C1 P15944 [0,1,0,0,1,0|1,0,1]=4 286 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,1,0,0,1,0|1,0,0]=3 287 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,1,0,0,1,0|2,0,0]=4 288 B8R1.62 CC1(CO)CC(=O)C1 39121 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.1 N#CCC1CCC(=O)CC1 A10161 [0,1,0,0,0,1|1,0,1]=4 290 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.25 CC[C@H]1CNC(=O)CC1=O 27452 [0,1,0,0,0,1|1,0,1]=4 292 B10R1.473 CC[N+]1(C)CCC(=O)CC1 83759 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P10176 [0,2,0,0,0,0|1,0,1]=4 294 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 P12477 [0,2,0,0,0,0|1,0,1]=4 295 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,2,0,0,0,0|0,0,0]=2 296 B10R1.16 O=C1C=C(OCCBr)CC1 W15827 [0,2,0,0,0,0|1,0,1]=4 297 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 80174 [0,2,0,0,0,0|1,0,1]=4 298 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 AT10889 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.95 O=S1(=O)OC[C@H](CCCl)O1 C11767 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.130 CCO[C@H]1OC(=O)C=C1Br F11788 [0,2,0,0,0,0|0,0,2]=4 301 B10R1.390 COC[C@]1(C)CNC(=O)C1 AT19128 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.36 CC1(C)C[C@H](CO)NC1=O 50815 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.55 O=C1OC[C@@H](C(F)(F)F)O1 A12132 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,1,1,0,0|0,0,2]=4 305 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,1,1,0,0|2,0,0]=4 306 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,1,1,0,0|2,0,0]=4 307 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,1,1,0,0|2,0,0]=4 308 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,1,1,0,0|2,0,0]=4 309 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,1,1,0,0|2,0,0]=4 310 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,1,1,0,0|2,0,0]=4 311 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,1,1,0,0|1,0,0]=3 312 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,1,1,0,0|2,0,0]=4 313 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,1,1,0,0|2,0,0]=4 315 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,1,1,0,0|2,0,0]=4 316 B8R1.34 CC(=O)CC1CCC1 D79207 [0,0,1,1,0,0|1,0,0]=3 317 B8R1.34 CC(=O)CC1COC1 CS1731 [0,0,1,1,0,0|2,0,0]=4 318 B8R1.34 CC(=O)OC1CNC1 C72427 [0,0,1,1,0,0|1,0,0]=3 319 B8R1.34 CC(=O)OC1CNC1 C76369 [0,0,1,1,0,0|1,0,0]=3 320 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,1,1,0,0|1,0,1]=4 321 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,1,1,0,0|1,0,1]=4 322 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,1,1,0,0|1,0,0]=3 323 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,1,1,0,0|1,0,1]=4 324 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,1,1,0,0|2,0,0]=4 325 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,1,1,0,0|2,0,0]=4 326 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,1,1,0,0|2,0,0]=4 327 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,1,1,0,0|2,0,0]=4 328 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,1,1,0,0|2,0,0]=4 329 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,1,1,0,0|2,0,0]=4 330 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,1,1,0,0|2,0,0]=4 331 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,1,1,0,0|1,0,1]=4 332 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,1,1,0,0|1,0,0]=3 333 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,1,1,0,0|2,0,0]=4 334 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,1,1,0,0|1,0,0]=3 335 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,1,1,0,0|1,0,0]=3 336 B8R1.3 O=C1NCC(O)CN1 D82915 [0,0,1,1,0,0|2,0,0]=4 337 B8R1.3 OC1CCC(F)CC1 P13200 [0,0,1,1,0,0|1,0,1]=4 338 B8R1.5 CC1CNCCC1O 20765 [0,0,1,1,0,0|2,0,0]=4 339 B8R1.5 CC1CNCCC1O 33365 [0,0,1,1,0,0|2,0,0]=4 340 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,1,1,0,0|2,0,0]=4 341 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,1,1,0,0|1,0,0]=3 342 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,1,1,0,0|0,0,0]=2 343 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [0,0,1,1,0,0|2,0,0]=4 344 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,1,1,0,0|2,0,0]=4 345 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,1,1,0,0|2,0,0]=4 346 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,1,1,0,0|2,0,0]=4 347 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,1,1,0,0|2,0,0]=4 348 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,1,1,0,0|2,0,0]=4 349 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,1,1,0,0|2,0,0]=4 350 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,1,1,0,0|2,0,0]=4 351 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,1,1,0,0|1,0,0]=3 352 B8R1.22 NC1=NCCCCC1 D85903 [0,0,1,1,0,0|2,0,0]=4 353 B8R1.22 O=C1CCCCCN1 D94502 [0,0,1,1,0,0|1,0,0]=3 354 B8R1.22 O=C1CCCCNC1 50109 [0,0,1,1,0,0|2,0,0]=4 355 B8R1.22 O=C1CCCOCC1 P12770 [0,0,1,1,0,0|2,0,0]=4 356 B8R1.22 O=C1CCNCCN1 58405 [0,0,1,1,0,0|2,0,0]=4 357 B8R1.22 O=C1COCCCN1 71169 [0,0,1,1,0,0|2,0,0]=4 358 B8R1.22 O=C1OCCCCO1 D93115 [0,0,1,1,0,0|1,0,0]=3 359 B8R1.38 CCC(=O)C1COC1 D79147 [0,0,1,1,0,0|2,0,0]=4 360 B8R1.38 CC[C@H](O)C1COC1 P20426 [0,0,1,1,0,0|2,0,0]=4 361 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,0,1,1,0,0|2,0,0]=4 362 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,1,1,0,0|1,0,0]=3 363 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,1,1,0,0|1,0,0]=3 364 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [1,0,0,1,0,0|2,0,0]=4 365 B8R2.34 C1CC2CC1CN2 D73537 [1,0,0,1,0,0|1,0,1]=4 366 B8R2.34 C1CC2CC1CN2 P10332 [1,0,0,1,0,0|1,0,1]=4 367 B8R2.34 C1CC2CCC1C2 F16610 [1,0,0,1,0,0|1,0,1]=4 368 B8R2.34 C1CC2CCC1N2 39142 [1,0,0,1,0,0|1,0,1]=4 369 B8R2.34 C1OC2CNC1C2 CS1881 [1,0,0,1,0,0|1,0,1]=4 370 B8R2.34 C1OC2CNC1C2 SC1961 [1,0,0,1,0,0|1,0,1]=4 371 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [1,0,0,1,0,0|1,0,1]=4 372 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [1,0,0,1,0,0|1,0,1]=4 373 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [1,0,0,1,0,0|1,0,1]=4 374 B8R2.55 C1CC2(CC2)CN1 80452 [1,0,0,1,0,0|2,0,0]=4 375 B8R2.55 C1CC2(CC2)CN1 P11718 [1,0,0,1,0,0|2,0,0]=4 376 B8R2.55 C1CNC2(C1)CC2 AT12544 [1,0,0,1,0,0|1,0,1]=4 377 B8R2.18 O=C1CC2CC2C1 W10830 [1,0,0,1,0,0|1,0,0]=3 378 B8R2.38 O=C1CCC2CC12 P19135 [1,0,0,1,0,0|1,0,0]=3 379 B8R2.38 O=C1CCC2OC12 60057 [1,0,0,1,0,0|2,0,0]=4 380 B8R2.19 O=C1CCC12CC2 P10135 [0,0,0,1,1,0|0,0,0]=2 381 B8R2.19 O[C@H]1CCC12CC2 D96738 [0,0,0,1,1,0|0,0,2]=4 382 B8R2.53 O=C1CC2(CC2)C1 N13186 [0,0,0,1,1,0|1,0,0]=3 383 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,1,0,1|2,0,0]=4 384 B10R2.335 O=C1CCC2(CC1)CC2 71948 [0,0,0,1,0,1|1,0,0]=3 385 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,1,0,1|1,0,0]=3 386 B10R2.534 O=C1CCCC2(CC2)N1 82072 [0,0,0,1,0,1|1,0,0]=3 387 B10R2.534 O=C1CCNC2(CC2)C1 D78858 [0,0,0,1,0,1|1,0,0]=3 388 B10R2.534 O=C1COCC2(CC2)N1 80088 [0,0,0,1,0,1|1,0,0]=3 389 B10R2.2 O=C1CC2CSCC2C1 38018 [0,1,0,1,0,0|1,0,0]=3 390 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 AT14674 [0,1,0,1,0,0|1,0,0]=3 391 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,1,0,1,0,0|1,0,0]=3 392 B10R2.32 O=C1CCC2CNCC12 P10378 [0,1,0,1,0,0|1,0,0]=3 393 B10R2.32 O=C1CO[C@@H]2OCC[C@H]12 C91362 [0,1,0,1,0,0|2,0,0]=4 394 B10R2.332 O=C1CC2(CCC2)CN1 D73448 [0,1,0,1,0,0|2,0,0]=4 395 B10R2.332 O=C1CC2(CN1)COC2 84048 [0,1,0,1,0,0|2,0,0]=4 396 B10R2.332 O=C1CC2(CNC2)CN1 F16075 [0,1,0,1,0,0|2,0,0]=4 397 B10R2.332 O=C1CC2(CNC2)CN1 O10622 [0,1,0,1,0,0|2,0,0]=4 398 B10R2.332 O=C1COC2(CCC2)C1 D84838 [0,1,0,1,0,0|2,0,0]=4 399 B10R2.332 O=C1COC2(COC2)C1 D96718 [0,1,0,1,0,0|2,0,0]=4 400 B10R2.332 O=C1NC2(CCC2)CO1 F31393 [0,1,0,1,0,0|2,0,0]=4 401 B10R2.332 O=C1NCC2(CCC2)O1 37823 [0,1,0,1,0,0|1,0,0]=3 402 B6R0.3 CCN(C)C(C)=O F19909 [0,0,1,0,1,0|1,0,0]=3 403 B6R0.3 CC[C@H](C)C(=O)O 88659 [0,0,1,0,1,0|1,0,0]=3 404 B6R0.3 CC[C@H](N)C(N)=O I10243 [0,0,1,0,1,0|2,0,0]=4 405 B6R0.3 C[C@@H](CN)C(=O)O F15101 [0,0,1,0,1,0|2,0,0]=4 406 B6R0.3 C[C@@H](CN)C(=O)O F15242 [0,0,1,0,1,0|2,0,0]=4 407 B6R0.3 C[C@@H](CO)C(=O)O FD6004 [0,0,1,0,1,0|2,0,0]=4 408 B6R1.6 BrC[C@H]1CCO1 28585 [1,0,0,0,1,0|1,0,0]=3 409 B6R1.6 BrC[C@H]1CCO1 D97141 [1,0,0,0,1,0|1,0,0]=3 410 B6R1.6 BrC[C@H]1CCO1 P21121 [1,0,0,0,1,0|1,0,0]=3 411 B6R1.6 C#C[C@@H]1CCO1 P18800 [1,0,0,0,1,0|0,0,2]=4 412 B6R1.6 CNC1CCC1 20929 [1,0,0,0,1,0|1,0,1]=4 413 B6R1.6 NC[C@H]1CCN1 20184 [1,0,0,0,1,0|2,0,0]=4 414 B6R1.6 NC[C@H]1CCO1 P20441 [1,0,0,0,1,0|1,0,0]=3 415 B6R1.6 OC[C@H]1CCN1 36269 [1,0,0,0,1,0|2,0,0]=4 416 B6R1.6 OC[C@H]1CCN1 38353 [1,0,0,0,1,0|2,0,0]=4 417 B6R1.6 OC[C@H]1CCN1 38354 [1,0,0,0,1,0|2,0,0]=4 418 B6R1.6 OC[C@H]1CCO1 26540 [1,0,0,0,1,0|1,0,0]=3 419 B6R1.6 OC[C@H]1CCO1 AT10832 [1,0,0,0,1,0|1,0,0]=3 420 B6R1.6 OC[C@H]1CCO1 P19736 [1,0,0,0,1,0|1,0,0]=3 421 B6R1.4 C[C@@H]1OCC1=O P16003 [1,0,0,0,1,0|1,0,0]=3 422 B6R1.4 C[C@H]1CCC1=O W18267 [1,0,0,0,1,0|0,0,0]=2 423 B6R1.4 C[C@H]1CNC1=O P20594 [1,0,0,0,1,0|1,0,0]=3 424 B6R1.4 O=C1CC[C@@H]1Br P18435 [1,0,0,0,1,0|1,0,0]=3 425 B6R1.5 CC1CC(=O)C1 P12177 [1,0,0,0,1,0|1,0,0]=3 426 B6R1.5 CN1CC(=O)C1 P15929 [1,0,0,0,1,0|2,0,0]=4 427 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [1,0,0,0,1,0|0,0,0]=2 428 B6R1.5 O=C1CC(O)C1 P12929 [1,0,0,0,1,0|2,0,0]=4