0 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.3 CCCCC(=O)NN P40425 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.3 CCCC[C@@H](N)CO A43512 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.3 CCCOC(=O)OC M40388 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CNCCC(=O)OC M40412 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 COC(=N)CCCCl M40379 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 COC(=O)CCCBr M39189 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 COC(=O)CCCCl M60517 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.3 COC(=O)CCCN M32376 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CC(C)CCCCBr B43898 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CN(C)CCCCO D41621 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 CC(C)C(=O)CC#N M43378 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.5 CC(C)C(=O)OCCl C24559 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)C(C)=O E60800 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CCOC(=O)[C@H](C)F E41270 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.5 CCOC(=O)[C@H](C)S E40385 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.3 CSCC[C@@H](N)C(C)(C)O A13741 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.3 CSCC[C@@H](N)C(C)(C)O A7314 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br B38137 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.8 CON(C)C(=O)CCCCl C41545 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.47 C=C(C)C(=O)NCCCN A46499 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.47 CCCCOC(=O)[C@H](C)N B43923 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.5 CN1CCCCCC1=O M39292 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.5 CN1CCCNCC1=O M1178 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.5 CN1CCNCCC1=O M41536 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.5 CN1CCNCCC1=O M43468 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.6 CC(C)N1CCNCC1 I13369 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.35 CC(C)N1CC[C@H](N)C1 P26442 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.35 CC(C)N1CC[C@H](N)C1 P46605 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.40 CC1(C)CCCOC1=O D63281 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.40 CC1(C)CNCCC1=O D11692 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.40 CC1(C)CNCC[C@@H]1O D11693 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.40 CC1(C)COCCC1=O D24609 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.40 CC1(C)COCC[C@@H]1N D15687 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.40 CC1(C)NCCNC1=O D10774 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.40 O=C1CCNCC1(F)F D11695 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.69 CC1CC(N)CCN1C D13560 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.106 CC1(C)C(=O)CCC1=O D43718 [0,0,0,1,0,0|1,0,1]=3 54 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20133 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20919 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.106 CC1(C)C(=O)NC[C@H]1N A20868 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.110 CN(C)C(=O)C1CNC1 D1324 [0,0,0,1,0,0|2,0,0]=3 58 B6R0.1 CC=CC(=O)CC H41457 [2,0,0,0,0,0|0,0,2]=4 59 B6R0.1 CCC[C@@H](Cl)CC C63946 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.1 CCOC(=O)CN G69291 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 CCOC(=O)CO E37817 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.1 CCOC(=O)OC E40254 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 CNC(=O)CCN A40306 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 COC(=O)CCBr M39155 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 COC(=O)CCN M67902 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.1 COC(=O)CCO M24551 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.4 CC(=O)NCCN A68626 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CC(=O)NCCO H68625 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 CC(=O)OCCBr B67892 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 CC(C)=CCCBr B0351 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.4 CC(C)=CCC[Mg+] M31885 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 CC(C)CCCO M67872 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.4 CC(C)NCCCl C40431 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 CC(C)OCCBr B69154 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 CN(C)CCCBr B40430 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.4 CN(C)CCCCl C69241 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CNCCN(C)C T41392 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.6 CC=CCCCO H41548 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.6 CCCCCC[Mg+] H31703 [2,0,0,0,0,0|1,0,1]=4 89 B6R0.6 CCCCCNC M41618 [2,0,0,0,0,0|1,0,1]=4 90 B6R0.6 CCC\C=C\CO H41550 [2,0,0,0,0,0|1,0,1]=4 91 B6R0.3 CC(C)C(=O)NN I0020 [2,0,0,0,0,0|2,0,0]=4 92 B6R0.3 CCC(=O)N(C)C D67412 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 CN(C)C(=O)CBr B40249 [2,0,0,0,0,0|2,0,0]=4 94 B6R0.3 CN(C)C(=O)CN A39947 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.3 CN(C)C(=O)CN A40307 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.3 CN(C)C(=O)CN A61441 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.3 CN(C)C(=O)CO H40267 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 CNC(=O)[C@H](C)N A40308 [2,0,0,0,0,0|2,0,0]=4 99 B6R0.3 COC(=O)[C@@H](C)O M68913 [2,0,0,0,0,0|2,0,0]=4 100 B6R0.3 COC(=O)[C@H](C)Cl M68359 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.3 COC(=O)[C@H](C)N A68085 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.3 COC(=O)[C@H](C)N M68343 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.3 COC(=O)[C@H](C)O M69777 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.1 C#CCCC(=O)CCO H6251 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.1 CCCC[C@H](N)CCO A62132 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.1 CCOC(=O)CCC#N E63052 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.1 CCOC(=O)CCCBr B69333 [1,1,0,0,0,0|1,0,0]=3 108 B8R0.1 CCOC(=O)CCCI E31893 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.1 CCOC(=O)CCCN E43487 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.1 CCOC(=O)CCNC E41584 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.1 CCOC(=O)CCSC E39202 [1,1,0,0,0,0|1,0,0]=3 112 B8R0.1 CCOCC(=O)OCC E41554 [1,1,0,0,0,0|1,0,0]=3 113 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|1,0,0]=3 114 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.3 CCOC(=O)C(=O)CC E67705 [1,1,0,0,0,0|1,0,1]=4 117 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|2,0,0]=4 118 B8R0.6 CCCC=CC(=O)OC M43802 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.6 CCCCCC(=O)CBr B43868 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.6 CCCCC[C@@H](O)CC X47206 [1,1,0,0,0,0|0,0,2]=4 121 B8R0.6 CCCCNC(=O)CCl B41547 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.6 CNCCCC(=O)OC M43486 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.6 COC(=O)CCCCBr M41523 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.6 COC(=O)CCCCCl M63406 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.6 COC(=O)CCCCN M43490 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.6 COC(=O)COCCCl M41275 [1,1,0,0,0,0|2,0,0]=4 127 B8R0.6 COCCCC(=O)OC M68350 [1,1,0,0,0,0|1,0,0]=3 128 B8R0.11 CCCC[C@H](CC)CBr E67613 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.11 CCCC[C@H](CC)CO E60781 [1,1,0,0,0,0|0,0,2]=4 130 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.19 CCC(=O)CC(=O)CC H43801 [1,1,0,0,0,0|0,0,1]=3 132 B8R0.19 CCC(=O)CC(=O)OC M39036 [1,1,0,0,0,0|1,0,1]=4 133 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.25 CCS(=O)(=O)CCCO E4265 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.25 CCS(=O)(=O)CCOC E2827 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.7 CC(C)NCCCCO I38536 [1,1,0,0,0,0|1,0,0]=3 138 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,1,0,0,0,0|1,0,1]=4 139 B8R0.7 CCNCCCN(C)C E11170 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.28 CC(=O)CCC=C(C)C M68353 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.2 CON(C)C(=O)C(C)C M16724 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.14 CC(C)(C)C(=O)CC#N P60982 [1,1,0,0,0,0|1,0,1]=4 143 B8R0.14 CC(C)(C)C(=O)CC=O D8624 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.14 CC(C)(C)C(=O)OCCl P69131 [1,1,0,0,0,0|2,0,0]=4 145 B8R0.14 CC(C)(C)C(=O)OCI K62297 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.23 CC(C)OC(=O)[C@@H](C)N P66866 [1,1,0,0,0,0|2,0,0]=4 147 B8R0.23 CC(C)OC(=O)[C@H](C)N P39284 [1,1,0,0,0,0|2,0,0]=4 148 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,1,0,0,0,1|1,0,1]=4 149 B10R0.28 C#CCCC(=O)OC(C)(C)C B62767 [0,1,0,0,0,1|0,0,2]=4 150 B10R0.28 CC(C)(C)OC(=O)CCCBr B37479 [0,1,0,0,0,1|1,0,0]=3 151 B10R0.28 CC(C)(C)OC(=O)CCCN B38496 [0,1,0,0,0,1|1,0,0]=3 152 B10R0.28 CC(C)(C)OC(=O)CCCN B61116 [0,1,0,0,0,1|1,0,0]=3 153 B10R0.28 CC(C)(C)OC(=O)NCCCl B6380 [0,1,0,0,0,1|2,0,0]=4 154 B10R0.28 CC(C)(C)OC(=O)NCCN B46523 [0,1,0,0,0,1|2,0,0]=4 155 B10R0.28 CC(C)(C)OC(=O)NCCN N28507 [0,1,0,0,0,1|2,0,0]=4 156 B10R0.28 CCNCC(=O)OC(C)(C)C B47176 [0,1,0,0,0,1|1,0,0]=3 157 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,1,0,0,0,1|1,0,1]=4 158 B10R0.52 COC(=O)CC(=O)C(C)(C)C M62383 [0,2,0,0,0,0|1,0,1]=4 159 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,2,0,0,0,0|1,0,1]=4 160 B10R0.26 CCOC(=O)CC(=O)C(C)C E47096 [0,2,0,0,0,0|0,0,1]=3 161 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [1,0,0,1,0,0|2,0,0]=4 164 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [1,0,0,1,0,0|2,0,0]=4 167 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [1,0,0,1,0,0|2,0,0]=4 168 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,1,0,0|2,0,0]=4 169 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,1,0,0|2,0,0]=4 170 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,1,0,0|2,0,0]=4 172 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,1,0,0|2,0,0]=4 174 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.2 BrCC1=CCCCC1 B10308 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.3 CC1CCC(=O)CC1 M39288 [1,0,0,1,0,0|0,0,0]=2 182 B8R1.3 CC1CCC(O)CC1 M61965 [1,0,0,1,0,0|0,0,2]=4 183 B8R1.3 CN1CCC(=O)CC1 M28326 [1,0,0,1,0,0|1,0,0]=3 184 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [1,0,0,1,0,0|1,0,1]=4 187 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.3 NC1CCC(=O)CC1 A38581 [1,0,0,1,0,0|1,0,0]=3 191 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [1,0,0,1,0,0|2,0,0]=4 192 B8R1.3 O=C1CCC(O)CC1 H18838 [1,0,0,1,0,0|1,0,0]=3 193 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.5 CN1CCNCC1=O M12652 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.5 CN1CCNCC1=O M4395 [1,0,0,1,0,0|2,0,0]=4 196 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|0,0,0]=2 198 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,0,0,1,0,0|1,0,0]=3 199 B8R1.5 C[C@H]1CCNCC1=O M14887 [1,0,0,1,0,0|1,0,0]=3 200 B8R1.5 C[C@H]1CNCCC1=O M14880 [1,0,0,1,0,0|1,0,0]=3 201 B8R1.5 C[C@H]1CNCCC1=O M41497 [1,0,0,1,0,0|1,0,0]=3 202 B8R1.5 C[C@H]1COCCC1=O M11408 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.5 NN1CCCCC1=O A41312 [1,0,0,1,0,0|2,0,0]=4 204 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,0,0,1,0,0|2,0,0]=4 205 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,0,0,1,0,0|2,0,0]=4 209 B8R1.5 O=C1CCCCC1=O C67839 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.5 O=C1CCNC[C@@H]1F F11694 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.5 O=C1CCNC[C@@H]1F F13759 [1,0,0,1,0,0|2,0,0]=4 212 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [1,0,0,1,0,0|2,0,0]=4 213 B8R1.5 O=C1CCOC[C@@H]1F F5739 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,0,0,1,0,0|2,0,0]=4 216 B8R1.22 O=C1C=CCCCC1 C67890 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.22 O=C1CCCNCC1 H12307 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.22 O=C1CCOCCN1 X16165 [1,0,0,1,0,0|2,0,0]=4 219 B8R1.22 O=C1CCSCCN1 T6235 [1,0,0,1,0,0|2,0,0]=4 220 B8R1.22 O=C1CNCCCN1 D38834 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.38 COC(=O)C1CNC1 M5857 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.38 COC(=O)C1COC1 M15764 [1,0,0,1,0,0|2,0,0]=4 223 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [1,0,0,1,0,0|2,0,0]=4 224 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [1,0,0,1,0,0|2,0,0]=4 225 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [1,0,0,1,0,0|2,0,0]=4 226 B8R1.38 NNC(=O)C1CCC1 C12362 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.40 COC(=O)CC1CC1 M11217 [1,0,0,1,0,0|1,0,0]=3 228 B8R1.40 O=C(CCl)NC1CC1 C41221 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.50 CC1C(=O)CCC1=O M25293 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.52 CC[N+]1(C)CCCC1 E46620 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.4 CC1CC(N)CCO1 M26284 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.4 CC1CC(O)CCN1 M11589 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.4 CC1CC(O)CCO1 M14345 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.4 CC1CNCC(C)C1 D39299 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [1,0,0,1,0,0|2,0,0]=4 236 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [1,0,0,1,0,0|2,0,0]=4 238 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [1,0,0,1,0,0|1,0,1]=4 243 B8R1.7 C[C@H](N)C1CCCC1 C31670 [1,0,0,1,0,0|1,0,1]=4 244 B8R1.34 CC(C)NC1COC1 M8461 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.34 CC(C)OC1CNC1 A10108 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.72 CC1(C)CCNCC1 D0628 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.72 CC1(C)CNCCN1 D13386 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.72 CC1(C)CNCCO1 D11989 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.72 CC1(C)CNCCO1 D1343 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.72 CC1(C)COCCN1 D24429 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.72 CC1(O)CCCCC1 M43886 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.37 CCOC(=O)C1CC1 E41463 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.37 N#CCC(=O)C1CC1 C12507 [1,0,0,1,0,0|1,0,1]=4 256 B10R1.61 CC(C)C1CCCCC1O P50579 [0,0,0,1,0,1|0,0,2]=4 257 B10R1.61 CC(C)N1CCNCC1=O P46498 [0,0,0,1,0,1|1,0,0]=3 258 B10R1.266 CC(=O)CC(=O)C1CCC1 C6255 [0,0,0,1,0,1|1,0,1]=4 259 B10R1.28 CC(C)(O)C1CCCCC1 C29711 [0,1,0,1,0,0|1,0,1]=4 260 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 D14239 [0,1,0,1,0,0|1,0,0]=3 261 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 D14238 [0,1,0,1,0,0|1,0,0]=3 262 B10R1.13 CC(C)N1CCC(N)CC1 A47192 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.13 CC(C)N1CCC(O)CC1 P24261 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.83 CC1(C)C(=O)C[C@@H]1C(=O)O D11839 [0,1,0,1,0,0|1,0,1]=4 265 B10R1.176 CN1CC[C@H](CN)CC1=O A0719 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.176 CN1CC[C@H](CN)CC1=O A20770 [0,1,0,1,0,0|2,0,0]=4 267 B10R1.176 CN1CC[C@H](CO)CC1=O H0356 [0,1,0,1,0,0|2,0,0]=4 268 B10R1.182 CON(C)C(=O)C1CCC1 M24689 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.63 CC1(C)CCC(=O)CC1=O D47019 [0,1,0,1,0,0|0,0,1]=3 270 B10R1.113 CC(C)N1CCC[C@H](O)C1 P47169 [0,1,0,1,0,0|2,0,0]=4 271 B10R1.134 COC(=O)CC(=O)C1CC1 C12469 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.114 CC1(C)C(=O)CCCC1=O D24284 [0,1,0,1,0,0|0,0,1]=3 273 B10R1.262 CCOC1CC(N)C1(C)C E15187 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.262 CCO[C@H]1CC(=O)C1(C)C E6179 [0,1,0,1,0,0|0,0,0]=2 275 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,2,0,0|1,0,0]=3 276 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,2,0,0|1,0,0]=3 277 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|1,0,0]=3 278 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,2,0,0|2,0,0]=4 279 B10R2.178 O=C1NCC2CCC1O2 X6210 [0,0,0,2,0,0|2,0,0]=4 280 B10R2.6 C1CC[C@@H](C2CC2)NC1 C49561 [0,0,0,2,0,0|1,0,1]=4 281 B10R2.15 O=C1CCNCC12CC2 A60009 [0,0,0,2,0,0|1,0,0]=3 282 B10R2.15 O=C1CNCCC12CC2 X14882 [0,0,0,2,0,0|1,0,0]=3 283 B10R2.485 O=C(CC1CC1)C2CC2 D29645 [0,0,0,2,0,0|0,0,0]=2