0 B7R0.3 C#CCNC(=O)CBr B2431 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CC(=O)NCCN A41315 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C=CCOC(=O)CI P7846 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.3 CCCCC(=O)NN P40425 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCCC[C@@H](N)CO A43512 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.3 CCCOC(=O)OC M40388 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 CNCCC(=O)OC M40412 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 COC(=N)CCCCl M40379 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 COC(=O)C=CCBr M37461 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 COC(=O)CCCBr M39189 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.3 COC(=O)CCCCl M60517 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.3 COC(=O)CCCN M32376 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.3 COC(=O)\C=C\CBr M41176 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 COC=CC(=O)OC M39186 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 CO\C=C\C(=O)OC M41228 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.1 C#CCC(=O)OC M41116 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.1 C=C(OCC)[Zn]Cl E4486 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CC#CC(=O)OC M62298 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.1 CC=CC(=O)CC H41457 [1,0,0,0,0,0|0,0,2]=3 20 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.1 CCC[C@H](N)CO A40443 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CCC[C@H](N)CO A66421 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.1 CCOC(=O)C#N E15572 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.1 CCOC(=O)CN G69291 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.1 CCOC(=O)CO E37817 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.1 CCOC(=O)NN E39139 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.1 CCOC(=O)OC E40254 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 CCO\C(C)=N\O E68624 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.1 CNC(=O)CC#N C40181 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CNC(=O)CCN A40306 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 COC(=O)CC#N M68915 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.1 COC(=O)CCBr M39155 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 COC(=O)CCN M67902 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.1 COC(=O)CCO M24551 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.1 COC(=O)OCCl C62332 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 COCC(=O)NN M39884 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CC(=O)CCCCl C68599 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 CC(=O)NCCN A68626 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 CC(=O)NCCO H68625 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CC(=O)OCCBr B67892 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.4 CC(C)=CCCBr B0351 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.4 CC(C)OCCBr B69154 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CCCCC(=N)N P41343 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.4 CCCCC(=O)[O-] S38573 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.4 CCCOC(N)=O P40264 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.4 CNCCC(=O)O M40350 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.4 COC=CC(C)=O M41222 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 COCCC(=O)O M40255 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 NCCCC(N)=O A40304 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 O=C(O)CCCBr B39154 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.4 O=C(O)CCCCl C40232 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.6 NCCOCCN X39968 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 NCCOCCN X40357 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 OCCOCCCl C60784 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 OCCOCCO D43939 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.1 C#CCCC(=O)CCO H6251 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.1 CCCC[C@H](N)CCO A62132 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.1 CCOC(=O)CCC#N E63052 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.1 CCOC(=O)CCCI E31893 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.1 CCOC(=O)CCCN E43487 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.1 CCOC(=O)CCNC E41584 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.1 CCOC(=O)CCSC E39202 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.1 CCOCC(=O)OCC E41554 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,1,0,0,0,0|3,0,0]=4 74 B8R0.3 CCOC(=O)C(=O)CBr E15776 [0,1,0,0,0,0|3,0,0]=4 75 B8R0.3 CCOC(=O)C(=O)CBr E2491 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.6 CCCC=CC(=O)OC M43802 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.6 CCCCNC(=O)CCl B41547 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.6 CNCCCC(=O)OC M43486 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.6 COC(=O)CCCCBr M41523 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.6 COC(=O)CCCCCl M63406 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.6 COC(=O)CCCCN M43490 [0,1,0,0,0,0|2,0,0]=3 86 B8R0.6 COC(=O)COCCCl M41275 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.6 COCCCC(=O)OC M68350 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.11 CCCC[C@H](CC)CO E60781 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.25 CCS(=O)(=O)CCCO E4265 [0,1,0,0,0,0|3,0,0]=4 97 B8R0.25 CCS(=O)(=O)CCOC E2827 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 COC1=CC(=O)CC1 M61379 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,0|1,0,0]=2 120 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.2 BrCC1=CCCCC1 B10308 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 N#CC1=CCCCO1 D43135 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.3 CC1CCC(O)CC1 M61965 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,1,0,0|1,0,0]=2 137 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,1,0,0|2,0,0]=3 144 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.5 CC1=NCCCN1C D39201 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,1,0,0|3,0,0]=4 152 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|1,0,1]=3 173 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.38 COC(=O)C1CNC1 M5857 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.38 COC(=O)C1COC1 M15764 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.38 NNC(=O)C1CCC1 C12362 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.40 COC(=O)CC1CC1 M11217 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.50 CC1C(=O)CCC1=O M25293 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,0,0,1,0,0|2,0,0]=3 187 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,0,0,1,0,0|2,0,1]=4 189 B5R0.1 C=C(C)OCC E5573 [2,0,0,0,0,0|1,0,0]=3 190 B5R0.1 CC(=O)CC#N X40158 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.1 CC(=O)CCCl C69539 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.1 CCC[C@@H](C)N P16023 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.1 CCC[C@H](C)N P22363 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 CCOC(=N)N E36845 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 CCOC(=S)[S-] P69346 [2,0,0,0,0,0|1,1,0]=4 196 B5R0.1 CCOC(C)=N E68065 [2,0,0,0,0,0|1,0,0]=3 197 B5R0.1 CNCC(=O)O M68590 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CNCC(N)=O M68358 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 COCC(=O)O M69331 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 NCCC(N)=O A67869 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|1,0,1]=4 202 B5R0.3 C#CC(=O)OC M40108 [2,0,0,0,0,0|0,0,2]=4 203 B5R0.3 CCC(=O)CN A32390 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.3 CCC(=O)CO H36713 [2,0,0,0,0,0|1,0,0]=3 205 B5R0.3 CCC(N)CC P40440 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.3 CNC(=O)CBr B60913 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.3 CNC(=O)CCl C67921 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.3 COC(=O)CN M69126 [2,0,0,0,0,0|1,0,0]=3 209 B5R0.3 COC(=O)CO M67586 [2,0,0,0,0,0|1,0,0]=3 210 B5R0.3 O=C(CCl)CCl D4849 [2,0,0,0,0,0|2,0,0]=4 211 B7R0.2 CC(C)NC(=O)CCl P40378 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.2 CC(C)OC(=O)CO I38145 [1,1,0,0,0,0|1,0,0]=3 213 B7R0.2 CCC(=O)CC(C)=O H69646 [1,1,0,0,0,0|0,0,1]=3 214 B7R0.2 CCC(=O)OC(C)=O A41227 [1,1,0,0,0,0|0,0,1]=3 215 B7R0.2 COC(=O)C[C@@H](C)N M41333 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.2 COC(=O)C[C@@H](C)O M68364 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.2 COC(=O)C[C@H](C)O M37970 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.5 CC(C)C(=O)CC#N M43378 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.5 CC(C)C(=O)OCCl C24559 [1,1,0,0,0,0|1,0,0]=3 220 B7R0.5 CCOC(=O)C(=O)O E36772 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.5 CCOC(=O)C(C)=O E60800 [1,1,0,0,0,0|0,0,1]=3 222 B7R0.5 CCOC(=O)C(N)=O E60589 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.5 CCOC(=O)C(N)=S E15645 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,1,0,0,0,0|0,0,0]=2 225 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,1,0,0,0,0|0,0,0]=2 227 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.7 CC#CC(=O)OCC E36835 [1,1,0,0,0,0|0,0,1]=3 229 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.7 CCNC(=O)NCC D40424 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|0,0,0]=2 232 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|0,0,0]=2 233 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|0,0,0]=2 234 B7R0.7 CCOC(=O)CNC S69399 [1,1,0,0,0,0|0,0,0]=2 235 B7R0.7 CCOC(=O)CNN E67459 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.7 CCOC(=O)CSC E40386 [1,1,0,0,0,0|0,0,0]=2 237 B7R0.7 CCOC(=O)OCCl C38646 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,1,0,0,0,0|0,0,2]=4 239 B7R0.7 CCOC(=O)\C=C\I E41181 [1,1,0,0,0,0|0,0,2]=4 240 B7R0.7 COCC(=O)COC D40391 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.7 O=C(CCCl)CCCl D67616 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.10 CCC(=O)C(=O)CC H41459 [1,1,0,0,0,0|0,0,1]=3 243 B7R0.10 CCC(=O)N(C)OC M40411 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.10 CC[C@H](N)C(=O)OC M40408 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.10 CC[C@H](N)C(=O)OC M41330 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.10 CC[C@H](N)C(=O)OC M41334 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [1,1,0,0,0,0|2,0,0]=4 251 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [1,1,0,0,0,0|2,0,0]=4 252 B7R0.10 COC(=O)[C@@H](C)CO M25480 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [1,1,0,0,0,0|2,0,0]=4 254 B7R0.10 COC(=O)[C@@H](F)CO M60918 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.10 COC(=O)[C@@H](N)CO M68693 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.10 COC(=O)[C@@H](N)CO S64541 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.10 COC(=O)[C@@H](O)CN M61501 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.10 COC(=O)[C@@H](O)CO M40259 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.10 COC(=O)[C@H](C)CO M40393 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.10 COC(=O)[C@H](N)CCl M69012 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.10 COC(=O)[C@H](N)CS M69349 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.10 COC(=O)[C@H](O)CO M40258 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|0,0,0]=2 265 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|0,0,0]=2 266 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.4 COCCNC(N)=O M36648 [1,1,0,0,0,0|2,0,0]=4 272 B7R0.4 NC(=O)COCCCl C40247 [1,1,0,0,0,0|2,0,0]=4 273 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|2,0,0]=4 274 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|2,0,0]=4 275 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.6 CC(=O)CCC(C)=O H64912 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.6 CC(=O)CNC(C)=O X41261 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.6 CC(=O)NNC(C)C P40426 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.1 CCCCCCCBr B43897 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.1 CCCCCCC[Mg+] H31707 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.1 COCCOCCI K40420 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.1 COCCOCCN M38824 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.4 C=CCOC(=O)CC(C)=O A39287 [0,2,0,0,0,0|0,0,2]=4 286 B9R0.4 CC(=O)CC(=O)NCCO H41517 [0,2,0,0,0,0|2,0,0]=4 287 B9R0.5 CCC=CCC(=O)OCC E47083 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.5 CCCC=CC(=O)OCC E47082 [0,2,0,0,0,0|1,0,0]=3 289 B9R0.5 CCOC(=O)CCCCBr E39295 [0,2,0,0,0,0|1,0,0]=3 290 B9R0.5 CCOC(=O)CCCCN E46517 [0,2,0,0,0,0|1,0,0]=3 291 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [0,2,0,0,0,0|2,0,0]=4 292 B9R0.5 CCOC(=O)COCCCl E41531 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.5 CCOC=CC(=O)OCC E43814 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.5 CCO\C=C\C(=O)OCC E43813 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,2,0,0,0,0|2,0,0]=4 297 B9R0.18 C=CCOC(=O)NCCN A43472 [0,2,0,0,0,0|0,0,2]=4 298 B9R0.34 CCCC(=O)CC(=O)OC M39290 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.34 CCOC(=O)CC(=O)CC E43812 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.34 CCOC(=O)C[C@@H](O)CCl E68321 [0,2,0,0,0,0|2,0,0]=4 301 B9R0.34 CCOC(=O)C[C@H](O)CO E66047 [0,2,0,0,0,0|2,0,0]=4 302 B9R0.35 CCCC(=O)C(=O)OCC E43810 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.35 CCC[C@H](C)C(=O)OCC E39445 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.35 CCC[C@H](N)C(=O)OCC N65311 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.35 CCOC(=N)C(=O)OCC E32050 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,1]=4 308 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,2,0,0,0,0|2,0,0]=4 314 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.46 COC(=O)CCCCCBr M39296 [0,2,0,0,0,0|2,0,0]=4 316 B9R0.46 COC(=O)CCCCCN M67967 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,2,0,0,0,0|1,0,1]=4 318 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,2,0,0,0,0|0,0,0]=2 319 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,2,0,0,0,0|1,0,1]=4 320 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C C38219 [0,2,0,0,0,0|0,0,0]=2 321 B7R1.1 BrCC1=CCCC1 B7551 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.1 COC1=NCCC1 M69559 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.2 CC1=CC(=O)CC1 M22783 [1,0,0,1,0,0|0,0,2]=4 324 B7R1.2 CN1CCC(=O)C1 M5444 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,0,0,1,0,0|1,0,0]=3 328 B7R1.2 C[C@H]1COC(=O)N1 M40226 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,0,0,1,0,0|2,0,0]=4 332 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.2 O=C1CCC(=O)C1 C13761 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,0,0,1,0,0|1,0,0]=3 338 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.2 O=C1OC[C@H](F)O1 F39135 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.3 C=C1CCNCC1 M19855 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|1,0,1]=4 347 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 348 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,0]=3 349 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,0]=3 351 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,0]=3 352 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,0]=3 353 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|1,0,0]=3 358 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.3 O=S1CCNCC1 T5787 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|1,0,1]=4 361 B7R1.4 CN1CCCC1=S M6872 [1,0,0,1,0,0|1,1,0]=4 362 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,0]=2 365 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|0,0,0]=2 367 B7R1.4 NN1CCCC1=O A22230 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 376 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.22 CCC(=O)C1CC1 C24823 [1,0,0,1,0,0|0,0,0]=2 380 B7R1.22 CC[C@H](O)C1CC1 C29750 [1,0,0,1,0,0|0,0,2]=4 381 B7R1.22 NNC(=O)C1CC1 C7568 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [1,0,0,1,0,0|2,0,0]=4 385 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.14 O=S1(=O)CCCO1 X68360 [1,0,0,1,0,0|2,0,0]=4 387 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.20 O=C(O)CC1CC1 C11216 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,0,1]=4 395 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.7 O=S1OCC(CCCl)O1 C65668 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.8 BrCCC1OCCCO1 B41524 [0,1,0,1,0,0|0,0,2]=4 403 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,1,0,1,0,0|0,0,2]=4 404 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.33 NCCN1CCNC1=O A3994 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|1,0,0]=3 416 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|1,0,1]=4 423 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.73 CCOC(=N)C1CCC1 E64744 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.73 CCOC(=O)C1CNC1 E0677 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.73 N#CCC(=O)C1CCC1 C0311 [0,1,0,1,0,0|1,0,1]=4 429 B9R1.75 CCOC(=O)CC1CC1 E29877 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|1,0,1]=4 431 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|1,0,0]=3 435 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|1,0,0]=3 440 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|1,0,0]=3 441 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,1,0,1,0,0|2,0,0]=4 446 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.37 C[C@H]1C(=O)OC(=O)N1C D24385 [0,1,0,1,0,0|1,0,1]=4 456 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.82 COC(=O)C1CC(N)C1 M13744 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.82 COC(=O)C1CC(O)C1 M0318 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.88 COC(=O)C1CC1CN M27272 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO M59717 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43446 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.101 COC(=O)[C@@H](N)C1CC1 M43448 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.186 COC(=O)C1(Br)CCC1 M43401 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.186 COC(=O)C1(N)CCC1 M39051 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.79 COC(=O)CC1CNC1 M0406 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.79 COC(=O)CC1CNC1 M37284 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.79 COC(=O)CC1COC1 M0309 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.81 COC(=O)C1CNC1C M21134 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,1,0,0|1,0,1]=4 485 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,1,0,0|0,0,0]=2 491 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.40 CC1(C)NCCNC1=O D10774 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20133 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20919 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.106 CC1(C)C(=O)NC[C@H]1N A20868 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,1,0,1,0,0|1,0,0]=3 499 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.113 COC(=O)CC1(N)CC1 M37142 [0,1,0,1,0,0|2,0,0]=4 504 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|1,0,0]=3 505 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|0,0,0]=2 506 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|1,0,0]=3 507 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,0,0,2,0,0|2,0,0]=4 508 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,2,0,0|2,0,0]=4 509 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,2,0,0|2,0,0]=4 510 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 511 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|1,0,0]=3 512 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|2,0,0]=4