0 B8R1.3 CC1CCC(O)CC1 D73186 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.3 C[C@H]1CC[C@H](O)CC1 A12839 [0,0,0,0,0,0|0,0,2]=2 5 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.3 C[C@H]1CN[C@@H](C)CN1 38272 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.3 C[C@H]1CN[C@@H](C)CN1 W12505 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.3 C[C@H]1CO[C@@H](C)CN1 C15026 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 T70403 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.3 NC1CCC(Br)CC1 FD10595 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.3 N[C@H]1CC[C@@H](F)CC1 72603 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.3 N[C@H]1CC[C@@H](N)CC1 T70349 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.3 O=C1NCC(O)CN1 D82915 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 OC1CCC(F)CC1 P13200 [0,0,0,0,0,0|1,0,2]=3 27 B7R1.3 BrC1=CCCNC1 D97153 [1,0,0,0,0,0|2,0,1]=4 28 B7R1.3 BrC1=CCOCC1 C90119 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.3 C=C1CCNCC1 88914 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 C=C1CCOCC1 84295 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,0,0,0|1,0,2]=4 32 B7R1.3 C[C@H]1CCCCN1 C73894 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.3 C[C@H]1CCCNC1 36405 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.3 C[C@H]1CNCCO1 24564 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.3 C[C@H]1CNCCO1 27729 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.3 C[C@H]1CNCCO1 F13460 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.3 C[C@H]1CNCCO1 P11013 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.3 C[C@H]1COCCN1 72593 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.3 FC1=CCNCC1 P20375 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.3 F[C@H]1CCCNC1 37161 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 F[C@H]1CCCNC1 37162 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 NC1=NCCCN1 AC1271 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 N[C@H]1CCCNC1 C72133 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 N[C@H]1CCCOC1 F10442 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,0,0,0|1,0,2]=4 46 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,0,0,0|1,0,2]=4 47 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.3 O=C1CSCCN1 23643 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 O[C@H]1CCCOC1 P10754 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.3 O[C@H]1CCCOC1 P10755 [1,0,0,0,0,0|1,0,2]=4 52 B7R1.3 SC1CCNCC1 39018 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 S[C@H]1CCCNC1 P11853 [1,0,0,0,0,0|1,1,1]=4 55 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.1 CC1CCC(CO)CN1 72671 [0,1,0,0,0,0|1,0,2]=4 57 B9R1.1 CC1CCC(CO)NC1 73032 [0,1,0,0,0,0|1,0,2]=4 58 B9R1.1 CCN1CCC(N)CC1 W15425 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,0,0,0|0,0,2]=3 60 B9R1.1 CN1CC=C(CO)CC1 AC1022 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.1 CN1CCC(CBr)CC1 84194 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.1 CN1CCC(NN)CC1 AT19390 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 CN1CCN(N=O)CC1 D92907 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 CNC1CCC(N)CC1 CS1725 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,1,0,0,0,0|0,0,2]=3 67 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,1,0,0,0,0|0,0,2]=3 68 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,1,0,0,0,0|0,0,2]=3 69 B9R1.1 COC1CCC(N)CC1 26413 [0,1,0,0,0,0|1,0,1]=3 70 B9R1.1 CON1CCC(=O)CC1 92073 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [0,1,0,0,0,0|1,0,1]=3 73 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,1,0,0,0,0|0,0,2]=3 75 B9R1.1 C[C@@H]1CC[C@H](C#N)CN1 W11743 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.1 N#CC1CCC(N)CC1 F52727 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.1 N#CC1CCC(O)CC1 26849 [0,1,0,0,0,0|0,0,3]=4 79 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 AT13196 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AT13199 [0,1,0,0,0,0|1,0,2]=4 81 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,0,0,0|0,0,0]=1 82 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,0,0,0|0,0,2]=3 84 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,0,0,0|0,0,2]=3 85 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,0,0,0|1,0,0]=2 88 B9R1.1 O=C1CN[C@@H](CF)CN1 D97270 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.1 O=CC1CCC(=O)CC1 C77323 [0,1,0,0,0,0|0,0,1]=2 93 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,0,0,0|0,0,2]=3 94 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,0,0,0|0,0,2]=3 95 B9R1.10 CC1(C)CCC(N)CC1 F12447 [0,1,0,0,0,0|1,0,1]=3 96 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,1,0,0,0,0|0,0,0]=1 98 B9R1.10 CC1(O)CCC(N)CC1 39273 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 P14556 [0,1,0,0,0,0|0,0,2]=3 100 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 38877 [0,1,0,0,0,0|0,0,2]=3 101 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 39275 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 P15459 [0,1,0,0,0,0|0,0,2]=3 103 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 39274 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 D95191 [0,1,0,0,0,0|1,0,1]=3 105 B9R1.10 FC1(F)CCC(Br)CC1 P15388 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.10 NC1CCS(=O)(=O)CC1 83363 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.10 NN1CCS(=O)(=O)CC1 T70689 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.10 O=C1C=CC(F)(F)CC1 D79120 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.69 CN1CCC(F)C(N)C1 D97057 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.3 C#CCCC(=O)OC AT21755 [0,0,1,0,0,0|1,0,2]=4 122 B7R0.3 C=CC(=O)NCCC AB9941 [0,0,1,0,0,0|1,0,2]=4 123 B7R0.3 C=CCCC(=O)OC AT23749 [0,0,1,0,0,0|1,0,2]=4 124 B7R0.3 CCC(=O)OCCO A11774 [0,0,1,0,0,0|2,0,0]=3 125 B7R0.3 CNCCC(=O)OC AB11809 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.3 COC(=O)CCCI F19766 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.6 CC(=O)NNC(C)C F19849 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.6 CC(=O)ON=C(C)C F19954 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.6 CC(C)=CCC(=O)O 24307 [0,0,1,0,0,0|1,0,2]=4 130 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,0,1,0,0,0|1,0,2]=4 134 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,0,1,0,0,0|2,0,0]=3 135 B9R2.49 C1CC2CCC1CN2 20492 [0,0,0,1,0,0|1,0,1]=3 136 B9R2.49 C1CC2CCC1CN2 38592 [0,0,0,1,0,0|1,0,1]=3 137 B9R2.49 C1CC2CNC1CN2 30821 [0,0,0,1,0,0|2,0,1]=4 138 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 P14533 [0,0,0,1,0,0|1,0,2]=4 139 B9R2.110 NC12CCC(CC1)C2 W16245 [0,0,0,1,0,0|1,0,1]=3 140 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,0,1,0|1,0,2]=4 141 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,0,1,0|1,0,2]=4 142 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,0,1,0|1,0,0]=2 143 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,0,0,0,1,0|2,0,1]=4 144 B7R1.2 CN1CC[C@H](N)C1 51282 [0,0,0,0,1,0|2,0,1]=4 145 B7R1.2 CN1CC[C@H](N)C1 51289 [0,0,0,0,1,0|2,0,1]=4 146 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,0,0,0,1,0|2,0,1]=4 147 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,0,1,0|1,0,0]=2 148 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,0,0,0,1,0|1,0,2]=4 149 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,0,1,0|1,0,2]=4 150 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,0,1,0|1,0,0]=2 151 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,0,1,0|1,0,0]=2 152 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,0,1,0|2,0,1]=4 153 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,0,1,0|2,0,1]=4 154 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,0,1,0|2,0,0]=3 155 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,0,1,0|2,0,0]=3 156 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,0,1,0|2,0,0]=3 157 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,0,1,0|2,0,0]=3 158 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,0,1,0|1,0,2]=4 159 B7R1.2 NC1CCC(N)C1 D79385 [0,0,0,0,1,0|2,0,1]=4 160 B7R1.2 NC1CCC(O)C1 21055 [0,0,0,0,1,0|1,0,2]=4 161 B7R1.2 NC1CCC(O)C1 26425 [0,0,0,0,1,0|1,0,2]=4 162 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,0,0,0,1,0|2,0,1]=4 163 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,0,0,0,1,0|2,0,1]=4 164 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,0,0,0,1,0|1,0,2]=4 165 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,0,0,0,1,0|1,0,2]=4 166 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,0,0,0,1,0|1,0,2]=4 167 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,0,0,0,1,0|1,0,2]=4 168 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,0,0,0,1,0|1,0,2]=4 169 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,0,0,0,1,0|1,0,2]=4 170 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,0,1,0|2,0,0]=3 171 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,0,1,0|2,0,0]=3 172 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,0,1,0|2,0,0]=3 173 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,0,1,0|2,0,0]=3 174 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,0,0,0,1,0|2,0,1]=4 175 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,0,0,0,1,0|1,0,2]=4 176 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,0,0,0,1,0|1,0,2]=4 177 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,0,0,0,1,0|1,0,2]=4 178 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,0,1,0|1,0,2]=4 179 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,0,1,0|1,0,2]=4 180 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,0,1,0|1,0,0]=2 181 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,0,1,0|2,0,1]=4 182 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,0,1,0|2,0,0]=3 183 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,0,0,0,1,0|1,0,2]=4 184 B9R1.49 CN1CCC[C@H](N)CC1 37046 [0,0,0,0,0,1|2,0,1]=4 185 B9R1.49 CN1CCC[C@H](O)CC1 63484 [0,0,0,0,0,1|1,0,2]=4 186 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,0,0,1|1,0,0]=2 187 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [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 CC[C@H](S)CCO D84734 [1,0,1,0,0,0|1,0,1]=4 191 B6R0.1 CNC(=O)CCN C75423 [1,0,1,0,0,0|2,0,0]=4 192 B6R0.1 CNC(=O)CCO AC6610 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.1 CNC(=O)CCS A11187 [1,0,1,0,0,0|2,0,0]=4 194 B6R0.4 C=C(C)CCCBr 71968 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.4 CC(=O)CCC=O P17049 [1,0,1,0,0,0|1,0,1]=4 196 B6R0.4 CC(=O)CCCBr 25631 [1,0,1,0,0,0|1,0,0]=3 197 B6R0.4 CC(=O)OCCN W11955 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.4 CC(C)CCC=O 31143 [1,0,1,0,0,0|0,0,0]=2 199 B6R0.4 CCOCC(=O)O D73862 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.4 NCCCC(N)=O C72206 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.6 CCOCCCBr A11082 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.6 CC\C=C/CCI 98107 [1,0,1,0,0,0|1,0,1]=4 203 B6R1.1 C1CCNNC1 71659 [2,0,0,0,0,0|2,0,0]=4 204 B8R0.1 C#CCCC(=O)CCO N11427 [0,1,1,0,0,0|0,0,2]=4 205 B8R0.1 CCCC(=O)OCCO D81566 [0,1,1,0,0,0|2,0,0]=4 206 B8R0.1 CCCC[C@H](C)CCO D93301 [0,1,1,0,0,0|1,0,1]=4 207 B8R0.1 CCC[C@H](C)CCCO A12859 [0,1,1,0,0,0|0,0,2]=4 208 B8R0.1 CCNC(=O)NCCN AR2426 [0,1,1,0,0,0|2,0,0]=4 209 B8R0.1 CCOC(=O)CCC#N 82565 [0,1,1,0,0,0|1,0,1]=4 210 B8R0.1 CCOC(=O)CCC=O AB9300 [0,1,1,0,0,0|1,0,1]=4 211 B8R0.1 CCOC(=O)CCCO C91677 [0,1,1,0,0,0|1,0,0]=3 212 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,1,0,0,0|1,0,1]=4 213 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [0,1,1,0,0,0|2,0,0]=4 214 B8R0.3 COC[C@H](N)C(=O)OC C73433 [0,1,1,0,0,0|2,0,0]=4 215 B8R0.6 CCCCCC(=O)CBr C73149 [0,1,1,0,0,0|1,0,0]=3 216 B8R0.6 COC(=O)COCCO D84694 [0,1,1,0,0,0|2,0,0]=4 217 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,1,1,0,0,0|0,0,0]=2 218 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,1,1,0,0,0|2,0,0]=4 219 B8R0.9 CCC(C)=CCC(=O)O C75612 [0,1,1,0,0,0|0,0,2]=4 220 B8R0.9 CC[C@H](C)COC(=O)Cl AC1638 [0,1,1,0,0,0|1,0,0]=3 221 B8R0.9 CC[C@H](Cl)CCC(=O)Cl AC1939 [0,1,1,0,0,0|1,0,0]=3 222 B8R0.9 NC[C@@H](N)CCC(=O)O AT25325 [0,1,1,0,0,0|2,0,0]=4 223 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [0,1,1,0,0,0|1,0,0]=3 224 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [0,1,1,0,0,0|1,0,0]=3 225 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [0,1,1,0,0,0|2,0,0]=4 226 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,1,1,0,0,0|0,0,1]=3 227 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,1,1,0,0,0|1,0,1]=4 228 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O 41453 [0,1,1,0,0,0|1,0,0]=3 229 B8R0.23 CC(C)N(C)CC(=O)O 71944 [0,1,1,0,0,0|2,0,0]=4 230 B8R0.23 CC(C)[C@@H](N)CC(=O)O 29560 [0,1,1,0,0,0|1,0,0]=3 231 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62353 [0,1,1,0,0,0|1,0,0]=3 232 B8R0.23 CN(C)C[C@H](N)C(=O)O F19964 [0,1,1,0,0,0|2,0,0]=4 233 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,1,1,0,0,0|2,0,0]=4 234 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,1,1,0,0,0|1,0,0]=3 236 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,1,1,0,0,0|1,0,1]=4 237 B8R0.29 CC(C)COS(C)(=O)=O A12119 [0,1,1,0,0,0|2,0,0]=4 238 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,1,1,0,0,0|2,0,0]=4 239 B8R1.2 BrCC1=CCCCC1 37274 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.2 C#CC1CCNCC1 P12507 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.2 C#CC1CCOCC1 37550 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.2 CCC1CCNCC1 W10090 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,1,0,0,0,0|1,0,1]=4 246 B8R1.2 CNC1CCNCC1 Y10435 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.2 CNC1CCSCC1 D93432 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.2 COC1=NCCCC1 D87703 [1,1,0,0,0,0|1,0,1]=4 249 B8R1.2 ClCC1CCNCC1 P17439 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.2 ClCC1CCOCC1 C77585 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.2 ClC[C@H]1CCCCN1 87776 [1,1,0,0,0,0|1,0,1]=4 252 B8R1.2 FCC1CCNCC1 F10330 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.2 FC[C@H]1CCCNC1 24250 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.2 ICC1CCCCC1 AC1131 [1,1,0,0,0,0|0,0,1]=3 255 B8R1.2 IC[C@H]1CCCCO1 P19885 [1,1,0,0,0,0|1,0,1]=4 256 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.2 N#CC1CCSCC1 29706 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.2 N#CN1CCCCC1 A12086 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.2 NCC1CCSCC1 P11855 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.2 NCC1CCSCC1 P17457 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.2 NNC1CCNCC1 BL010349 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.2 NNC1CCOCC1 F51905 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.2 NNC1CCSCC1 BL010348 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.2 O=CN1CCCCC1 D77795 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.2 O=C[C@@H]1CCCCN1 62054 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,1,0,0,0,0|1,0,1]=4 268 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.2 O=NN1CCOCC1 T72681 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.2 OC[C@H]1CCCNC1 36372 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.2 OC[C@H]1CCCOC1 38674 [1,1,0,0,0,0|1,0,1]=4 274 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [1,1,0,0,0,0|1,0,1]=4 275 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.4 CC1CC(N)CCO1 D78849 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.4 CC1CC(N)CCO1 P16002 [1,1,0,0,0,0|1,0,1]=4 278 B8R1.4 CC1CC(O)CCN1 33466 [1,1,0,0,0,0|1,0,1]=4 279 B8R1.4 CC1CC(O)CCN1 P17258 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.4 CC1CNCC(O)C1 AC5056 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.4 CN1CCCC(=O)C1 S10664 [1,1,0,0,0,0|1,0,0]=3 282 B8R1.4 CN1CCC[C@H](N)C1 37174 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.4 CN1CCC[C@H](N)C1 37175 [1,1,0,0,0,0|1,0,1]=4 284 B8R1.4 CN1CCC[C@H](N)C1 F13528 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.4 CN1CCC[C@H](N)C1 P12011 [1,1,0,0,0,0|1,0,1]=4 286 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [1,1,0,0,0,0|0,0,1]=3 287 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.4 C[C@H]1CN(C)CCN1 32818 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [1,1,0,0,0,0|0,0,2]=4 303 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [1,1,0,0,0,0|0,0,2]=4 304 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [1,1,0,0,0,0|0,0,2]=4 305 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,1,0,0,0,0|0,0,0]=2 306 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [1,1,0,0,0,0|1,0,1]=4 307 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [1,1,0,0,0,0|1,0,1]=4 308 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [1,1,0,0,0,0|1,0,1]=4 309 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [1,1,0,0,0,0|0,0,2]=4 310 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [1,1,0,0,0,0|0,0,2]=4 311 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.4 O=C1CNCC(=O)C1 91786 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [1,1,0,0,0,0|0,0,2]=4 316 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [1,1,0,0,0,0|0,0,2]=4 317 B8R1.5 C=C1CCCC[C@@H]1O D94315 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.5 CC1CCNCC1O 38882 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.5 CC1CNCCC1O 20765 [1,1,0,0,0,0|1,0,1]=4 320 B8R1.5 CC1CNCCC1O 33365 [1,1,0,0,0,0|1,0,1]=4 321 B8R1.5 CC1COCCC1N 33469 [1,1,0,0,0,0|1,0,1]=4 322 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [1,1,0,0,0,0|0,0,1]=3 323 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [1,1,0,0,0,0|0,0,1]=3 324 B8R1.5 C[C@@H]1COCC[C@@H]1N P14106 [1,1,0,0,0,0|1,0,1]=4 325 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.5 C[C@H]1CCCCC1=O D77719 [1,1,0,0,0,0|0,0,0]=2 327 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.5 C[C@H]1CCCOC1=O AB4082 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.5 C[C@H]1CCNC[C@@H]1O 38883 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.5 C[C@H]1CNCCN1C 37822 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.5 C[C@H]1CNCCN1C P11245 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.5 C[C@H]1CNCCN1C Y10614 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.5 C[C@H]1CNCC[C@@H]1O P15603 [1,1,0,0,0,0|1,0,1]=4 334 B8R1.5 C[C@H]1COCCC1=O 27832 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.5 C[C@H]1COCC[C@@H]1N P15602 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.5 C[C@H]1CSCCC1=O 70869 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.5 NC1CCOCC1O P16839 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.5 NN1CCCCC1=O C74639 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14573 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.5 N[C@@H]1CCOC[C@@H]1O P14531 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.5 N[C@@H]1CCOC[C@@H]1O P19745 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.5 N[C@@H]1COCC[C@@H]1O P16186 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.5 N[C@H]1CC=CC[C@@H]1N F16351 [1,1,0,0,0,0|1,0,1]=4 344 B8R1.5 N[C@H]1CCCCC1=O C16242 [1,1,0,0,0,0|0,0,0]=2 345 B8R1.5 N[C@H]1CCCC[C@@H]1F 72976 [1,1,0,0,0,0|1,0,1]=4 346 B8R1.5 N[C@H]1CCCC[C@@H]1F D79011 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.5 N[C@H]1CCCC[C@@H]1F P18297 [1,1,0,0,0,0|1,0,1]=4 348 B8R1.5 N[C@H]1CCCC[C@@H]1N 47900 [1,1,0,0,0,0|1,0,1]=4 349 B8R1.5 N[C@H]1CCCC[C@H]1N A11421 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.5 N[C@H]1CCCNC1=O 11355 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.5 N[C@H]1CCCNC1=O 51546 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.5 N[C@H]1CCOC[C@@H]1F P14548 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.5 N[C@H]1CCOC[C@@H]1F P14593 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.5 N[C@H]1CCOC[C@@H]1O 38664 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.5 N[C@H]1CCOC[C@@H]1O 39432 [1,1,0,0,0,0|2,0,0]=4 356 B8R1.5 N[C@H]1CCOC[C@@H]1O 39433 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.5 N[C@H]1COCC[C@@H]1F P21120 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.5 N[C@H]1COCC[C@@H]1O P14664 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.5 O=C1NCCC[C@@H]1O 27231 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.5 O=C1OCCC[C@@H]1O 27422 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.5 OC1CCOCC1F P14713 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.5 O[C@@H]1CCNC[C@@H]1F 37699 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.5 O[C@@H]1CCNC[C@@H]1F 39257 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.5 O[C@@H]1CCNC[C@@H]1F P15698 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.5 O[C@H]1CCCC[C@@H]1O C14127 [1,1,0,0,0,0|0,0,2]=4 368 B8R1.5 O[C@H]1CCNC[C@@H]1F 37698 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.5 O[C@H]1CCNC[C@@H]1F P13776 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.5 O[C@H]1CCNC[C@@H]1O P10847 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.5 O[C@H]1CCNC[C@@H]1O P17759 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.5 O[C@H]1CNCC[C@@H]1F P14517 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.5 O[C@H]1CNCC[C@H]1O P15637 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.72 CC1(Br)CCCCC1 P19508 [1,1,0,0,0,0|0,0,1]=3 375 B8R1.72 CC1(Br)CCOCC1 AC1905 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.72 CC1(F)CCNCC1 72921 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.72 CC1(N)CCNCC1 F30991 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.72 CC1(N)CCOCC1 P16590 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.72 CC1(O)CCOCC1 69121 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.72 CC1(O)CCSCC1 C74963 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.72 C[C@]1(O)CCCNC1 37167 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.72 C[C@]1(O)CCCNC1 P18955 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.72 C[Si]1(C)CCNCC1 P12584 [1,1,0,0,0,0|1,1,0]=4 386 B8R1.72 FC1(F)CCNCC1 32752 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,1,0,0,1,0|1,0,1]=4 388 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [0,1,0,0,1,0|1,0,1]=4 389 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,0,1,0|2,0,0]=4 391 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,0,1,0|2,0,0]=4 393 B8R1.1 CN[C@H]1CCN(C)C1 P12573 [0,1,0,0,1,0|2,0,0]=4 394 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,0,1,0|0,0,2]=4 395 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,0,1,0|1,0,1]=4 396 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,0,1,0|0,0,2]=4 397 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,0,1,0|1,0,1]=4 398 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,0,1,0|1,0,1]=4 399 B8R1.1 N#C[C@@H]1CNC(=O)C1 P17251 [0,1,0,0,1,0|1,0,1]=4 400 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,0,1,0|0,0,1]=3 401 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,0,1,0|1,0,1]=4 402 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,0,1,0|0,0,2]=4 403 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,0,1,0|1,0,0]=3 404 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,0,1,0|1,0,0]=3 405 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,0,1,0|1,0,0]=3 406 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,0,1,0|1,0,0]=3 407 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,0,1,0|1,0,0]=3 408 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,0,1,0|1,0,0]=3 409 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,0,1,0|1,0,0]=3 410 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,0,1,0|1,0,0]=3 411 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,0,1,0|1,0,1]=4 412 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,0,1,0|2,0,0]=4 413 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,0,1,0|2,0,0]=4 414 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,0,1,0|2,0,0]=4 415 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,0,1,0|1,0,0]=3 416 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,0,1,0|0,0,0]=2 417 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,0,1,0|1,0,0]=3 418 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,0,1,0|1,0,0]=3 419 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,0,1,0|2,0,0]=4 420 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,0,1,0|2,0,0]=4 421 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,0,1,0|2,0,0]=4 422 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,0,1,0|2,0,0]=4 423 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,0,1,0|2,0,0]=4 424 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,0,1,0|0,0,2]=4 425 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,1,0,0,1,0|2,0,0]=4 426 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,0,1,0|1,0,0]=3 427 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,1,0,0,1,0|0,0,2]=4 428 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,0,1,0|0,0,0]=2 429 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,0,1,0|1,0,0]=3 430 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,0,1,0|1,0,0]=3 431 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,1,0,0,1,0|1,0,1]=4 432 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,1,0,0,1,0|2,0,0]=4 433 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,1,0,0,1,0|2,0,0]=4 434 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,0,1,0|1,0,0]=3 435 B8R1.51 CC1(C)COC(=O)N1 38028 [0,1,0,0,1,0|2,0,0]=4 436 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,0,1,0|1,0,0]=3 437 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,1,0,0,1,0|2,0,0]=4 438 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12856 [0,1,0,0,1,0|2,0,0]=4 439 B8R1.51 O=S1(=O)CC[C@H](O)C1 F14685 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,1,0,0,0,1|0,0,0]=2 441 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,2,0,0,0,0|1,0,1]=4 442 B10R1.1 CN1CCC(CC=O)CC1 Y10060 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.1 CN1CCC(CCN)CC1 30445 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.1 CN1CCN(CC=O)CC1 P10531 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.1 CNCC1CCN(C)CC1 F17447 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.1 N#CCC1CCC(=O)CC1 A10161 [0,2,0,0,0,0|0,0,0]=2 447 B10R1.1 N#CC[C@H]1CC[C@H](N)CC1 P15963 [0,2,0,0,0,0|1,0,1]=4 448 B10R1.1 NC1CCC(CCO)CC1 S10769 [0,2,0,0,0,0|1,0,1]=4 449 B10R1.1 NCCC1CCC(O)CC1 T70309 [0,2,0,0,0,0|0,0,2]=4 450 B10R1.1 O=C1CCC(CCO)CC1 AB7316 [0,2,0,0,0,0|0,0,0]=2 451 B10R1.1 OCCC1CCC(O)CC1 F17096 [0,2,0,0,0,0|0,0,2]=4 452 B10R1.3 CCC1CCC(CO)CC1 P18075 [0,2,0,0,0,0|0,0,2]=4 453 B10R1.3 COC1CCC(CBr)CC1 AC1239 [0,2,0,0,0,0|0,0,2]=4 454 B10R1.3 NC[C@H]1CC[C@@H](CN)CC1 T70002 [0,2,0,0,0,0|1,0,1]=4 455 B10R1.3 NC[C@H]1CC[C@H](CO)CC1 D73841 [0,2,0,0,0,0|0,0,2]=4 456 B10R1.3 NC[C@H]1CC[C@H](CO)CC1 P13865 [0,2,0,0,0,0|0,0,2]=4 457 B10R1.3 O=CC1CCC(CO)CC1 D93138 [0,2,0,0,0,0|0,0,1]=3 458 B10R1.3 O=CN1CCC(CO)CC1 F16174 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.13 C=C1CCN(C(C)=O)CC1 F20166 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,2,0,0,0,0|1,0,1]=4 464 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [0,2,0,0,0,0|0,0,2]=4 465 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [0,2,0,0,0,0|0,0,2]=4 466 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,2,0,0,0,0|1,0,1]=4 468 B10R1.13 CN(C)C1CCC(N)CC1 25878 [0,2,0,0,0,0|1,0,1]=4 469 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 20906 [0,2,0,0,0,0|0,0,2]=4 470 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 20835 [0,2,0,0,0,0|0,0,2]=4 471 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [0,2,0,0,0,0|1,0,1]=4 472 B10R1.13 CN1CCN(C(=O)O)CC1 D81033 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,2,0,0,0,0|0,0,1]=3 474 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,2,0,0,0,0|0,0,1]=3 475 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,2,0,0,0,0|1,0,1]=4 476 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,2,0,0,0,0|1,0,1]=4 477 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.25 CC[C@H]1CNC(=O)CC1=O 27452 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.26 CC1(C)CCC(=NO)CC1 W18549 [0,2,0,0,0,0|0,0,1]=3 481 B10R1.26 CC1(C)CCC(C#N)CC1 W18593 [0,2,0,0,0,0|1,0,1]=4 482 B10R1.26 CC1(C)CCC(C=O)CC1 93329 [0,2,0,0,0,0|0,0,1]=3 483 B10R1.26 C[C@]1(O)CC[C@@H](CN)CC1 P18238 [0,2,0,0,0,0|0,0,2]=4 484 B10R1.26 C[C@]1(O)CC[C@H](CN)CC1 P20268 [0,2,0,0,0,0|0,0,2]=4 485 B10R1.26 C[C@]1(O)CC[C@H](CN)CC1 P20269 [0,2,0,0,0,0|0,0,2]=4 486 B10R1.26 N#CC1CCS(=O)(=O)CC1 W19152 [0,2,0,0,0,0|1,0,1]=4 487 B10R1.26 NCC1CCS(=O)(=O)CC1 38061 [0,2,0,0,0,0|1,0,0]=3 488 B10R1.26 O=CC1CCC(F)(F)CC1 90390 [0,2,0,0,0,0|1,0,1]=4 489 B10R1.26 O=CC1CCS(=O)(=O)CC1 F51866 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.26 O=S1(=O)CCC(CO)CC1 AC6194 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.473 CC[N+]1(C)CCC(=O)CC1 83759 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.473 CN1CCC(F)(CN)CC1 P20029 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.473 CN1CCC(F)(CO)CC1 32183 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.473 CN1CCC(O)(CN)CC1 P16054 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.63 CC1(C)CCC(=O)NC1=O AB22481 [0,2,0,0,0,0|1,0,1]=4 496 B10R1.63 C[C@]1(N)CCC(=O)NC1=O W11228 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.30 CCN1C[C@H](C)NCC1=O W17551 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.30 CCN1C[C@H](C)NCC1=O W17552 [0,2,0,0,0,0|2,0,0]=4 499 B8R1.22 BrC1CCCCCC1 F53566 [0,0,1,1,0,0|1,0,1]=4 500 B8R1.22 NC1=NCCCCC1 D85903 [0,0,1,1,0,0|2,0,0]=4 501 B8R1.22 O=C1CCCCCN1 D94502 [0,0,1,1,0,0|1,0,0]=3 502 B8R1.22 O=C1CCCCNC1 50109 [0,0,1,1,0,0|1,0,0]=3 503 B8R1.22 O=C1CCCOCC1 P12770 [0,0,1,1,0,0|1,0,0]=3 504 B8R1.22 O=C1CCNCCN1 58405 [0,0,1,1,0,0|2,0,0]=4 505 B8R1.22 O=C1CNCCNC1 77718 [0,0,1,1,0,0|2,0,0]=4 506 B8R1.22 O=C1CNCCOC1 P20266 [0,0,1,1,0,0|2,0,0]=4 507 B8R1.22 O=C1COCCCN1 71169 [0,0,1,1,0,0|2,0,0]=4 508 B8R1.22 O=C1OCCCCO1 D93115 [0,0,1,1,0,0|2,0,0]=4 509 B8R1.38 CCC(=O)C1COC1 D79147 [0,0,1,1,0,0|1,0,0]=3 510 B8R1.38 CNC(=O)C1CNC1 P20515 [0,0,1,1,0,0|2,0,0]=4 511 B8R1.38 COC(=O)C1COC1 81275 [0,0,1,1,0,0|2,0,0]=4 512 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [0,0,1,1,0,0|2,0,0]=4 513 B8R1.38 O=C(CBr)N1CCC1 P20407 [0,0,1,1,0,0|2,0,0]=4 514 B8R1.40 COC(=O)CC1CC1 28012 [0,0,1,1,0,0|1,0,0]=3 515 B8R1.23 CC(C)[C@@H]1CC(=O)N1 P18338 [0,0,1,1,0,0|1,0,0]=3 516 B8R1.23 NC1CC(C(=O)O)C1 38020 [0,0,1,1,0,0|2,0,0]=4 517 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 26939 [0,0,1,1,0,0|2,0,0]=4 518 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 36354 [0,0,1,1,0,0|2,0,0]=4 519 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 37102 [0,0,1,1,0,0|2,0,0]=4 520 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 P10391 [0,0,1,1,0,0|2,0,0]=4 521 B8R1.23 O=C(O)C1CC(Br)C1 D79265 [0,0,1,1,0,0|2,0,0]=4 522 B8R1.23 O=C(O)C1CC(F)C1 37218 [0,0,1,1,0,0|2,0,0]=4 523 B8R1.23 O=C(O)[C@H]1C[C@H](Br)C1 D79072 [0,0,1,1,0,0|2,0,0]=4 524 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 P15601 [0,0,1,1,0,0|2,0,0]=4 525 B8R1.23 O=C1CC(C(F)F)C1 W13841 [0,0,1,1,0,0|2,0,0]=4 526 B8R1.35 O=C(O)CNC1CC1 F14996 [0,0,1,1,0,0|2,0,0]=4 527 B8R1.35 O=C(O)CNC1CC1 W15242 [0,0,1,1,0,0|2,0,0]=4 528 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [1,0,0,1,0,0|2,0,0]=4 529 B8R2.18 O=C1CC2CC2C1 W10830 [1,0,0,1,0,0|0,0,0]=2 530 B8R2.25 C1CNC2CC2C1 70876 [1,0,0,1,0,0|1,0,1]=4 531 B8R2.34 C1CC2CC1CN2 D73537 [1,0,0,1,0,0|1,0,1]=4 532 B8R2.34 C1CC2CC1CN2 P10332 [1,0,0,1,0,0|1,0,1]=4 533 B8R2.34 C1CC2CCC1C2 F16610 [1,0,0,1,0,0|0,0,1]=3 534 B8R2.34 C1CC2CCC1N2 39142 [1,0,0,1,0,0|1,0,1]=4 535 B8R2.38 O=C1CCC2CC12 P19135 [1,0,0,1,0,0|0,0,0]=2 536 B8R2.38 O=C1CCC2OC12 60057 [1,0,0,1,0,0|1,0,0]=3 537 B10R2.178 O=C1NCC2CCC1N2 P17879 [0,0,0,1,0,1|2,0,0]=4 538 B10R2.409 C1CC2CCC1CNC2 P17930 [0,0,0,1,0,1|1,0,1]=4 539 B10R2.409 C1CN2CCC(CC2)N1 26408 [0,0,0,1,0,1|2,0,0]=4 540 B10R2.62 N[C@H]1CN2CCC1CC2 70721 [0,1,0,1,0,0|2,0,0]=4 541 B10R2.62 N[C@H]1CN2CCC1CC2 F13073 [0,1,0,1,0,0|2,0,0]=4 542 B10R2.62 N[C@H]1CN2CCC1CC2 F13074 [0,1,0,1,0,0|2,0,0]=4 543 B10R2.62 O=C1CC2CCC1CC2 91055 [0,1,0,1,0,0|0,0,1]=3 544 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,1,0,1,0,0|1,0,1]=4 545 B10R2.62 O=C1NC2CCC1CC2 38593 [0,1,0,1,0,0|1,0,1]=4 546 B10R2.62 OC1CC2CCC1NC2 37779 [0,1,0,1,0,0|1,0,1]=4 547 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,1,0,1,0,0|0,0,2]=4 548 B10R2.335 O=C1CCC2(CC1)CC2 71948 [0,1,0,1,0,0|0,0,0]=2 549 B10R2.582 NC12CCC(CC1)CC2 60107 [0,1,0,1,0,0|1,0,1]=4 550 B10R2.582 OC12CCN(CC1)CC2 70859 [0,1,0,1,0,0|2,0,0]=4 551 B10R2.571 NC12CCC(Br)(CC1)C2 D97006 [0,1,0,1,0,0|1,0,1]=4 552 B10R2.571 NC12CCC(N)(CC1)C2 P14861 [0,1,0,1,0,0|1,0,1]=4 553 B6R0.2 CC(C)CC(N)=O C75541 [0,0,1,0,1,0|1,0,0]=3 554 B6R0.2 CC(C)NC(N)=O 44261 [0,0,1,0,1,0|2,0,0]=4 555 B6R0.2 C[C@H](O)CC(=O)O C10552 [0,0,1,0,1,0|2,0,0]=4 556 B6R1.2 C=C1CCNC1 F13598 [1,0,0,0,1,0|2,0,0]=4 557 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,0,1,0|1,0,0]=3 558 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,0,1,0|1,0,0]=3 559 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,0,1,0|2,0,0]=4 560 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,0,1,0|2,0,0]=4 561 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,0,1,0|2,0,0]=4 562 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,0,1,0|2,0,0]=4 563 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,0,1,0|2,0,0]=4 564 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,0,1,0|2,0,0]=4 565 B6R1.2 NN1CCCC1 F13227 [1,0,0,0,1,0|2,0,0]=4 566 B6R1.2 NN1CCCC1 S12058 [1,0,0,0,1,0|2,0,0]=4 567 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,0,1,0|2,0,0]=4 568 B6R1.2 O=C1CNCN1 25530 [1,0,0,0,1,0|2,0,0]=4 569 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,0,1,0|2,0,0]=4 570 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,0,2,0|1,0,0]=3 571 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,0,2,0|0,0,0]=2 572 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,0,2,0|1,0,0]=3 573 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,0,2,0|1,0,0]=3 574 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,0,2,0|0,0,0]=2 575 B6R1.5 CC1CC(N)C1 72358 [0,0,0,0,2,0|1,0,1]=4 576 B6R1.5 CN1CC(=O)C1 P15929 [0,0,0,0,2,0|1,0,0]=3 577 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,0,2,0|1,0,0]=3 578 B6R1.5 C[C@H]1C[C@@H](N)C1 P18428 [0,0,0,0,2,0|1,0,1]=4 579 B6R1.5 C[C@H]1C[C@H](N)C1 D79129 [0,0,0,0,2,0|1,0,1]=4 580 B6R1.5 O=C1CC(O)C1 P12929 [0,0,0,0,2,0|1,0,0]=3 581 B8R0.28 CC(=O)NCCC(C)C S10520 [0,0,1,0,0,1|0,0,0]=2 582 B8R0.28 CC(C)=CCCC(=O)O F16793 [0,0,1,0,0,1|1,0,1]=4 583 B8R0.28 CC(C)CNCC(=O)O W10796 [0,0,1,0,0,1|1,0,0]=3 584 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,0,0,2|1,0,1]=4